smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCc1cn([C@@H]2CCN(C(=O)c3nccn3C)C2)nn1 ZINC000675017604 748025876 /nfs/dbraw/zinc/02/58/76/748025876.db2.gz DYWZTKKBYLFPEJ-GFCCVEGCSA-N 0 0 304.354 0.635 50 0 DCAARN CO[C@H]1C[C@H]2CN(C(=O)c3sc(C)nc3C)CC(=O)N2C1 ZINC000675016570 748027158 /nfs/dbraw/zinc/02/71/58/748027158.db2.gz FASZBGWHTOCKDR-QWRGUYRKSA-N 0 0 309.391 0.832 50 0 DCAARN CS(=O)(=O)N1CCC[C@@](F)(C(=O)NCc2ccncc2)C1 ZINC000675022105 748028552 /nfs/dbraw/zinc/02/85/52/748028552.db2.gz WRUCWHFCCIYQSD-ZDUSSCGKSA-N 0 0 315.370 0.462 50 0 DCAARN COCCNS(=O)(=O)c1cc2c(cc1C)NC(=O)[C@H](C)O2 ZINC000675029994 748028998 /nfs/dbraw/zinc/02/89/98/748028998.db2.gz FSEYDQWEUKYYDV-VIFPVBQESA-N 0 0 314.363 0.639 50 0 DCAARN O=S(=O)(N=c1cc[nH]cc1)c1cnn(-c2ccccn2)c1 ZINC000675030388 748029172 /nfs/dbraw/zinc/02/91/72/748029172.db2.gz NFPPEGCYIMDYDS-UHFFFAOYSA-N 0 0 301.331 0.885 50 0 DCAARN CN(CC(=O)N1CCS[C@H]1C(F)(F)F)S(C)(=O)=O ZINC000585126423 748531507 /nfs/dbraw/zinc/53/15/07/748531507.db2.gz YTZMEXHWQFETNP-ZETCQYMHSA-N 0 0 306.331 0.342 50 0 DCAARN CCn1cnnc1CCNc1ncc(C)c(-c2ncnn2C)n1 ZINC000199310282 749269222 /nfs/dbraw/zinc/26/92/22/749269222.db2.gz VNFPSYDALQJXJR-UHFFFAOYSA-N 0 0 313.369 0.847 50 0 DCAARN CC(C)Cc1cc(C(=O)NCCSc2c[nH]nn2)nc(N)n1 ZINC000821471614 758174614 /nfs/dbraw/zinc/17/46/14/758174614.db2.gz GWGYGNKWTNCPGX-UHFFFAOYSA-N 0 0 321.410 0.898 50 0 DCAARN C[C@H](NS(=O)(=O)N(C)Cc1ccccc1)c1ncnn1C ZINC000822280192 758189982 /nfs/dbraw/zinc/18/99/82/758189982.db2.gz MHIOXQJYCHUSKE-NSHDSACASA-N 0 0 309.395 0.843 50 0 DCAARN CCCn1ncnc1-c1cccc(C(=O)N(C)C[C@@H](O)CO)c1 ZINC000823036206 758220018 /nfs/dbraw/zinc/22/00/18/758220018.db2.gz YQWQLQRUMKBTDR-CQSZACIVSA-N 0 0 318.377 0.780 50 0 DCAARN CCOc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](OC)C2)cc1 ZINC000823379585 758240788 /nfs/dbraw/zinc/24/07/88/758240788.db2.gz MAJXQTLOLUHGRQ-STQMWFEESA-N 0 0 301.364 0.466 50 0 DCAARN Cc1cccc2nc(CNS(=O)(=O)N3CCN(C)CC3)cn21 ZINC000823791306 758275244 /nfs/dbraw/zinc/27/52/44/758275244.db2.gz XCXLGJUECPIRPO-UHFFFAOYSA-N 0 0 323.422 0.225 50 0 DCAARN CN(Cc1cnc2ccccn12)S(=O)(=O)N1CCN(C)CC1 ZINC000823791189 758275953 /nfs/dbraw/zinc/27/59/53/758275953.db2.gz BKYJCANYPKUKEB-UHFFFAOYSA-N 0 0 323.422 0.258 50 0 DCAARN COC[C@H]1CCCN(S(=O)(=O)NCc2cnn(C)c2C)C1 ZINC000824370193 758770833 /nfs/dbraw/zinc/77/08/33/758770833.db2.gz JUMKNUJYFSFIOF-LBPRGKRZSA-N 0 0 316.427 0.421 50 0 DCAARN COc1ccc(-c2n[nH]cc2CNS(=O)(=O)N(C)C)cc1 ZINC000824691996 758781500 /nfs/dbraw/zinc/78/15/00/758781500.db2.gz MOENGUSVSAEKHX-UHFFFAOYSA-N 0 0 310.379 0.981 50 0 DCAARN Nc1nc(CCCNC(=O)c2nc3ncccn3n2)cs1 ZINC000827597836 758871316 /nfs/dbraw/zinc/87/13/16/758871316.db2.gz UKQZCYUNIWXNQG-UHFFFAOYSA-N 0 0 303.351 0.526 50 0 DCAARN CS(=O)(=O)CCNC(=O)CCC(=O)Nc1cccc(F)c1 ZINC000827814680 758885890 /nfs/dbraw/zinc/88/58/90/758885890.db2.gz ZNAUUCSRBWZNBT-UHFFFAOYSA-N 0 0 316.354 0.705 50 0 DCAARN O=C([O-])CC[NH+]1CCC(CNC(=O)Cn2ccccc2=O)CC1 ZINC000827861480 758889873 /nfs/dbraw/zinc/88/98/73/758889873.db2.gz KNKRIVWPUGWBGC-UHFFFAOYSA-N 0 0 321.377 0.151 50 0 DCAARN COc1cccc(OCc2nc(-c3cn[nH]n3)n(CCO)n2)c1 ZINC000828778336 759093375 /nfs/dbraw/zinc/09/33/75/759093375.db2.gz HLISHSUAKXYBNC-UHFFFAOYSA-N 0 0 316.321 0.643 50 0 DCAARN CCOCC(=O)N1CCC2(C[C@@H]3C(=O)N(CC)C(=O)N3C2)CC1 ZINC000581803041 760251172 /nfs/dbraw/zinc/25/11/72/760251172.db2.gz FGEFCRYSSGYSEJ-GFCCVEGCSA-N 0 0 323.393 0.688 50 0 DCAARN CN(c1ncc(F)cn1)C1CN(c2ccc3nncn3n2)C1 ZINC000585592451 768081490 /nfs/dbraw/zinc/08/14/90/768081490.db2.gz FQLJSTRRNUPKNR-UHFFFAOYSA-N 0 0 300.301 0.378 50 0 DCAARN Cn1ncnc1COCC(=O)N1CCOc2cccc(F)c2C1 ZINC000585083173 766268676 /nfs/dbraw/zinc/26/86/76/766268676.db2.gz IQOMJIUHGRJOSU-UHFFFAOYSA-N 0 0 320.324 0.892 50 0 DCAARN CCC[C@H](C(=O)OCC)S(=O)(=O)N(C)c1ccn(C)n1 ZINC000585086336 766272196 /nfs/dbraw/zinc/27/21/96/766272196.db2.gz BTXCYDKHGULAEU-SNVBAGLBSA-N 0 0 303.384 0.918 50 0 DCAARN COCC(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 ZINC000585088266 766275482 /nfs/dbraw/zinc/27/54/82/766275482.db2.gz RXQWIANGBJEQIJ-UHFFFAOYSA-N 0 0 302.371 0.511 50 0 DCAARN COC(=O)[C@H](CO)NC(=O)[C@@]1(C)CC(c2ccccc2)=NO1 ZINC000585114199 766283883 /nfs/dbraw/zinc/28/38/83/766283883.db2.gz VGCRDRFUPLXWFY-SWLSCSKDSA-N 0 0 306.318 0.220 50 0 DCAARN C[C@@H]1C[C@@H](C(=O)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC(C)(C)C1 ZINC000585130757 766291017 /nfs/dbraw/zinc/29/10/17/766291017.db2.gz BEHUHJSIGZPICJ-KKOKHZNYSA-N 0 0 309.410 0.494 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)NCCc1nnc(N)s1 ZINC000952869323 768925080 /nfs/dbraw/zinc/92/50/80/768925080.db2.gz HHGGQLCHODKMNG-UHFFFAOYSA-N 0 0 308.411 0.762 50 0 DCAARN O=C(NC1CC1)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000952877056 768942175 /nfs/dbraw/zinc/94/21/75/768942175.db2.gz LESABJTXLCRTJH-NSHDSACASA-N 0 0 318.782 0.258 50 0 DCAARN COC(C)(C)CNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC001529120960 1014499628 /nfs/dbraw/zinc/49/96/28/1014499628.db2.gz VZBKGYDSPXIJQH-KGLIPLIRSA-N 0 0 306.362 0.784 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)Cc3cccnc3)C[C@@H]2O)on1 ZINC001529125108 1014500963 /nfs/dbraw/zinc/50/09/63/1014500963.db2.gz JWRYVKQIFBONFE-HIFRSBDPSA-N 0 0 301.346 0.983 50 0 DCAARN Cc1ccn(CC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)n1 ZINC001529133316 1014503013 /nfs/dbraw/zinc/50/30/13/1014503013.db2.gz ICVUFTBTHCADLS-CABCVRRESA-N 0 0 300.362 0.960 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)CCN3CCCC3=O)C[C@@H]2O)on1 ZINC001529168001 1014511878 /nfs/dbraw/zinc/51/18/78/1014511878.db2.gz SZUDFWNAGZRNPR-OCCSQVGLSA-N 0 0 321.377 0.357 50 0 DCAARN Cc1cc(CC(=O)N2C[C@@H](Cc3ccccn3)[C@H](O)C2)on1 ZINC001529191878 1014516736 /nfs/dbraw/zinc/51/67/36/1014516736.db2.gz HUJXNKHWMMBIMY-IUODEOHRSA-N 0 0 301.346 0.983 50 0 DCAARN C[NH+]1CCC(N(Cc2cccnc2)C(=O)NCC(=O)[O-])CC1 ZINC001506423135 1017265578 /nfs/dbraw/zinc/26/55/78/1017265578.db2.gz WGMXGIXHSCVHJK-UHFFFAOYSA-N 0 0 306.366 0.772 50 0 DCAARN CC(C)[N@@H+]1CCC[C@H](C(=O)NCCCc2nonc2C(=O)[O-])C1 ZINC000095528615 185378255 /nfs/dbraw/zinc/37/82/55/185378255.db2.gz IECVLHSDEGBJGC-NSHDSACASA-N 0 0 324.381 0.937 50 0 DCAARN C[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@@H]1N1CCOCC1 ZINC000078896747 185124509 /nfs/dbraw/zinc/12/45/09/185124509.db2.gz XSEOCTJFYMTGHF-OCCSQVGLSA-N 0 0 315.377 0.522 50 0 DCAARN COCCN(CC(F)F)c1cc(COC)nc2ncnn21 ZINC000079089727 185156619 /nfs/dbraw/zinc/15/66/19/185156619.db2.gz VFPGXHNPVGLUJY-UHFFFAOYSA-N 0 0 301.297 0.989 50 0 DCAARN O=C(CCn1cncn1)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000079311132 185164418 /nfs/dbraw/zinc/16/44/18/185164418.db2.gz MIKGZZXOBLTVIQ-CQSZACIVSA-N 0 0 313.361 0.980 50 0 DCAARN COc1ccccc1C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC000079320784 185164706 /nfs/dbraw/zinc/16/47/06/185164706.db2.gz BTMXJQRCLHGAQL-ZDUSSCGKSA-N 0 0 301.350 0.915 50 0 DCAARN Nc1cc(N2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)ncn1 ZINC000082161156 185174050 /nfs/dbraw/zinc/17/40/50/185174050.db2.gz RODUHNYFUPKHPR-MRXNPFEDSA-N 0 0 319.409 0.650 50 0 DCAARN CCOC(=O)c1nnn(CC(N)=O)c1-c1ccc2c(c1)OCO2 ZINC000082237886 185174526 /nfs/dbraw/zinc/17/45/26/185174526.db2.gz ZBVVMJNJGUKESK-UHFFFAOYSA-N 0 0 318.289 0.336 50 0 DCAARN O=C1NCCN1C1CN(Cc2cnc(N3CCOCC3)s2)C1 ZINC000328594956 231236283 /nfs/dbraw/zinc/23/62/83/231236283.db2.gz GQUKHDWYWQWMSP-UHFFFAOYSA-N 0 0 323.422 0.394 50 0 DCAARN Fc1cccnc1N1CCN(c2ccc3nnnn3n2)CC1 ZINC000090144576 185283701 /nfs/dbraw/zinc/28/37/01/185283701.db2.gz WJCMINPFKWSSLG-UHFFFAOYSA-N 0 0 300.301 0.380 50 0 DCAARN O=C(Nc1ccc2c(c1)OCO2)N1CC[C@@]2(CC(=O)NC2=O)C1 ZINC000082098210 192355618 /nfs/dbraw/zinc/35/56/18/192355618.db2.gz VMBYMQRCNWDYCV-OAHLLOKOSA-N 0 0 317.301 0.686 50 0 DCAARN CCNC(=O)CN1CCN(C(=O)[C@@H](OC)c2ccccc2)CC1 ZINC000082108506 192356907 /nfs/dbraw/zinc/35/69/07/192356907.db2.gz LOWKYHOJQUCLDL-INIZCTEOSA-N 0 0 319.405 0.654 50 0 DCAARN Cc1nc([C@H]2CCCN(C(=O)CCn3cncn3)C2)cc(=O)[nH]1 ZINC000082126068 192359012 /nfs/dbraw/zinc/35/90/12/192359012.db2.gz IAUFBYFOHKLEMP-LBPRGKRZSA-N 0 0 316.365 0.466 50 0 DCAARN Cn1ncc2c1ncn([C@@H]1CCN(CC(F)(F)F)C1=O)c2=O ZINC000095398432 185353549 /nfs/dbraw/zinc/35/35/49/185353549.db2.gz WJYFPXGPWOAPIZ-MRVPVSSYSA-N 0 0 315.255 0.466 50 0 DCAARN O=C(NCc1ccco1)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000095405186 185355749 /nfs/dbraw/zinc/35/57/49/185355749.db2.gz USZLQXWLHUZDKG-OTYXRUKQSA-N 0 0 306.322 0.457 50 0 DCAARN CNS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](C)CO)cc1 ZINC000095418237 185359493 /nfs/dbraw/zinc/35/94/93/185359493.db2.gz YTXIKYATGPBTGO-LLVKDONJSA-N 0 0 314.407 0.272 50 0 DCAARN C[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1cnn(C)c1 ZINC000095433094 185363878 /nfs/dbraw/zinc/36/38/78/185363878.db2.gz FBCHZEAAHZEUES-SMDDNHRTSA-N 0 0 309.391 0.863 50 0 DCAARN Cn1cnn(CC(=O)N[C@H](c2ccccc2)c2cccnc2)c1=O ZINC000181525264 199310977 /nfs/dbraw/zinc/31/09/77/199310977.db2.gz DOVXFFYVTHTFEE-MRXNPFEDSA-N 0 0 323.356 0.883 50 0 DCAARN CCOC(=O)C(C)(C)C(=O)N1CCN(c2cnccn2)CC1 ZINC000095447706 185367986 /nfs/dbraw/zinc/36/79/86/185367986.db2.gz GKHIOROGQJDOSC-UHFFFAOYSA-N 0 0 306.366 0.715 50 0 DCAARN COC(=O)CN(CC(C)C)C(=O)CNC(=O)c1ccoc1C ZINC000095448230 185368044 /nfs/dbraw/zinc/36/80/44/185368044.db2.gz CRKVXCYSHLXHQY-UHFFFAOYSA-N 0 0 310.350 0.975 50 0 DCAARN COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(Cl)cc1F ZINC000095449595 185368751 /nfs/dbraw/zinc/36/87/51/185368751.db2.gz DWIWTYPSOJTZEB-QMMMGPOBSA-N 0 0 311.718 0.291 50 0 DCAARN Cc1cncc(C(=O)NC[C@@H](Cc2cnn(C)c2)C(N)=O)c1 ZINC000095450664 185369017 /nfs/dbraw/zinc/36/90/17/185369017.db2.gz SIMBGHIFEKHAMH-GFCCVEGCSA-N 0 0 301.350 0.198 50 0 DCAARN CC1CCN(C[C@@H](O)Cn2ccnc2S(C)(=O)=O)CC1 ZINC000095438709 185365677 /nfs/dbraw/zinc/36/56/77/185365677.db2.gz GGIPAVBMHNUGNV-GFCCVEGCSA-N 0 0 301.412 0.379 50 0 DCAARN C[N@@H+]1CCN(c2ccc(C(=O)N3CCCC3)cn2)C[C@H]1C(=O)[O-] ZINC000244619981 529777346 /nfs/dbraw/zinc/77/73/46/529777346.db2.gz FJQUAOYCDJRJMX-ZDUSSCGKSA-N 0 0 318.377 0.523 50 0 DCAARN COC(=O)[C@@H](CC(C)C)OC(=O)CSc1nnnn1C ZINC000095459579 185370731 /nfs/dbraw/zinc/37/07/31/185370731.db2.gz KVLXZPCZWCSRFM-MRVPVSSYSA-N 0 0 302.356 0.433 50 0 DCAARN O=c1c2ccncc2ncn1C[C@@H](O)COCc1ccco1 ZINC000097080169 185406296 /nfs/dbraw/zinc/40/62/96/185406296.db2.gz QPDDTMVTUBYLFK-LLVKDONJSA-N 0 0 301.302 0.962 50 0 DCAARN COc1cncc(O[C@@H]2CCCN(C(=O)N3CCOCC3)C2)n1 ZINC000225501252 201722691 /nfs/dbraw/zinc/72/26/91/201722691.db2.gz YHXDVQHUXYMROL-GFCCVEGCSA-N 0 0 322.365 0.781 50 0 DCAARN Cc1nnc2c(N3CCN(C(=O)c4ccco4)CC3)nccn12 ZINC000225799048 201748126 /nfs/dbraw/zinc/74/81/26/201748126.db2.gz COYKPDGREFRSDH-UHFFFAOYSA-N 0 0 312.333 0.988 50 0 DCAARN CCOc1ncccc1C(=O)N[C@H](C)C(=O)N1CCOCC1 ZINC000058343171 190692380 /nfs/dbraw/zinc/69/23/80/190692380.db2.gz MHXRLVWPDQROIL-LLVKDONJSA-N 0 0 307.350 0.457 50 0 DCAARN CNC(=O)CCNC(=O)c1cc(OC)nn1-c1ccccc1 ZINC000227162676 201795569 /nfs/dbraw/zinc/79/55/69/201795569.db2.gz GRSKZWQJZAOJDR-UHFFFAOYSA-N 0 0 302.334 0.747 50 0 DCAARN CC(C)Cc1noc(CN2CCO[C@H](Cn3cncn3)C2)n1 ZINC000070015989 190850110 /nfs/dbraw/zinc/85/01/10/190850110.db2.gz FARCXOHOLXNGSA-LBPRGKRZSA-N 0 0 306.370 0.761 50 0 DCAARN Cn1c2nc(C(=O)Nc3ccncc3)ccc2c(=O)n(C)c1=O ZINC000024656316 282607825 /nfs/dbraw/zinc/60/78/25/282607825.db2.gz JBAVQRMFVHITKI-UHFFFAOYSA-N 0 0 311.301 0.280 50 0 DCAARN Cc1nn(C)c2nc(C)cc(C(=O)N3CC[NH2+][C@@H](C(=O)[O-])C3)c12 ZINC000071753465 191023135 /nfs/dbraw/zinc/02/31/35/191023135.db2.gz XBAAKIGKSDUWSE-LLVKDONJSA-N 0 0 317.349 0.084 50 0 DCAARN Cc1noc(-c2ccc(N3CC[NH2+]C[C@H](CC(=O)[O-])C3)nc2)n1 ZINC000071754747 191024641 /nfs/dbraw/zinc/02/46/41/191024641.db2.gz FSIGRPMGJYTJFB-NSHDSACASA-N 0 0 317.349 0.941 50 0 DCAARN O=C(c1cncc(N2CC[C@H](CO)[C@@H](O)C2)n1)N1CCCCC1 ZINC000072143606 191049721 /nfs/dbraw/zinc/04/97/21/191049721.db2.gz LTESJGIGBDDLQW-OCCSQVGLSA-N 0 0 320.393 0.282 50 0 DCAARN CCCCC(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 ZINC000072144684 191051429 /nfs/dbraw/zinc/05/14/29/191051429.db2.gz PCGSIKCUUHSXTR-AWEZNQCLSA-N 0 0 322.409 0.682 50 0 DCAARN O=C(CCn1nnc2ccccc21)N1CCC[C@@](O)(CO)CC1 ZINC000072145353 191051896 /nfs/dbraw/zinc/05/18/96/191051896.db2.gz SMYISHZLFFBTLA-INIZCTEOSA-N 0 0 318.377 0.557 50 0 DCAARN Cc1ccc2[nH]c(COCC(=O)N3CC[C@H](O)[C@@H](O)C3)nc2c1 ZINC000072172537 191070097 /nfs/dbraw/zinc/07/00/97/191070097.db2.gz CNHLKLXIEOYJKL-KBPBESRZSA-N 0 0 319.361 0.342 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@H]1CCC(=O)N1Cc1cccs1 ZINC000072239679 191082507 /nfs/dbraw/zinc/08/25/07/191082507.db2.gz PIZNTZBUBUAIPZ-LLVKDONJSA-N 0 0 309.391 0.444 50 0 DCAARN COCc1nc(N2CCOCC2)ncc1C(=O)NCC(C)C ZINC000072265524 191089263 /nfs/dbraw/zinc/08/92/63/191089263.db2.gz DSHPIJKWTUBDEL-UHFFFAOYSA-N 0 0 308.382 0.845 50 0 DCAARN O=C(CN1CCCCCC1=O)N1CCC[C@H](n2cncn2)C1 ZINC000072272253 191094757 /nfs/dbraw/zinc/09/47/57/191094757.db2.gz CNIAXIZZULKDQE-ZDUSSCGKSA-N 0 0 305.382 0.844 50 0 DCAARN C[C@H](C(=O)N1CCC(Nc2cccnn2)CC1)N1CCOCC1 ZINC000072279599 191100541 /nfs/dbraw/zinc/10/05/41/191100541.db2.gz MGSGCVIVOUCTHE-CYBMUJFWSA-N 0 0 319.409 0.600 50 0 DCAARN C[C@H]1COCCN1CCNc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000072276281 191098432 /nfs/dbraw/zinc/09/84/32/191098432.db2.gz SGMXDLWMCRAGGB-UONOGXRCSA-N 0 0 321.425 0.570 50 0 DCAARN COCCOc1cccc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1 ZINC000287161757 219350637 /nfs/dbraw/zinc/35/06/37/219350637.db2.gz ZPXLKGVIOUCYLD-YPMHNXCESA-N 0 0 310.325 0.750 50 0 DCAARN Cc1csc([C@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)n1 ZINC000072298858 191114394 /nfs/dbraw/zinc/11/43/94/191114394.db2.gz YDPTYMHYRVYHSP-JTQLQIEISA-N 0 0 322.390 0.709 50 0 DCAARN Cc1nonc1CC(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 ZINC000253413972 186310149 /nfs/dbraw/zinc/31/01/49/186310149.db2.gz WCZBCDMKIZBIIZ-CHIMOYNISA-N 0 0 305.338 0.282 50 0 DCAARN CC[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)s1)C(=O)OC ZINC000225619853 186283996 /nfs/dbraw/zinc/28/39/96/186283996.db2.gz UUKHKKSXAPGASY-QMMMGPOBSA-N 0 0 320.392 0.211 50 0 DCAARN CCO[C@H]1CCCN(Cc2nccn2S(=O)(=O)N(C)C)C1 ZINC000225637367 186285858 /nfs/dbraw/zinc/28/58/58/186285858.db2.gz GEEXARSNUCUOIN-LBPRGKRZSA-N 0 0 316.427 0.539 50 0 DCAARN COc1cc(=O)n(C)cc1C(=O)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 ZINC000253397690 186305819 /nfs/dbraw/zinc/30/58/19/186305819.db2.gz FYIRRHNZUPQERG-OSMZGAPFSA-N 0 0 322.361 0.460 50 0 DCAARN CC(C)OCCS(=O)(=O)NCC(=O)Nc1ccccc1 ZINC000072311356 191120013 /nfs/dbraw/zinc/12/00/13/191120013.db2.gz FIXHRZZLADPCPF-UHFFFAOYSA-N 0 0 300.380 0.970 50 0 DCAARN CN1CCN(C(=O)CCc2cn3ccccc3n2)C[C@@H]1CCO ZINC000072410122 191154664 /nfs/dbraw/zinc/15/46/64/191154664.db2.gz SEZQYNVZVORFCG-HNNXBMFYSA-N 0 0 316.405 0.792 50 0 DCAARN Cc1nnc(SCC(=O)N2CCC(C(N)=O)CC2)s1 ZINC000000117090 180698160 /nfs/dbraw/zinc/69/81/60/180698160.db2.gz WKHVTVJFXBZIOA-UHFFFAOYSA-N 0 0 300.409 0.663 50 0 DCAARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)CCn1cnnn1 ZINC000072474728 191177887 /nfs/dbraw/zinc/17/78/87/191177887.db2.gz KTITXRIBLSESFE-UHFFFAOYSA-N 0 0 311.349 0.908 50 0 DCAARN Cc1nnnn1CCC[N@@H+]1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072477116 191179685 /nfs/dbraw/zinc/17/96/85/191179685.db2.gz HLVYZAYYFVZUTB-UHFFFAOYSA-N 0 0 319.369 0.101 50 0 DCAARN COC(=O)C[C@@H](C)NC(=O)Cn1ncc(=O)c2ccccc21 ZINC000072966280 191259071 /nfs/dbraw/zinc/25/90/71/191259071.db2.gz JSMJGUPRSHDAMW-SNVBAGLBSA-N 0 0 303.318 0.464 50 0 DCAARN CC(=O)SCCC(=O)NCNC(=O)CCSC(C)=O ZINC000001727755 180892481 /nfs/dbraw/zinc/89/24/81/180892481.db2.gz DUAMCZUXUCSHPL-UHFFFAOYSA-N 0 0 306.409 0.516 50 0 DCAARN COCCN(CCOC)C(=O)CSc1nnc2ccccn21 ZINC000003346121 181008953 /nfs/dbraw/zinc/00/89/53/181008953.db2.gz YYVDVIXHFFLIIH-UHFFFAOYSA-N 0 0 324.406 0.943 50 0 DCAARN CCNC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000003348599 181009866 /nfs/dbraw/zinc/00/98/66/181009866.db2.gz NTCMYFFSBWPMFC-UHFFFAOYSA-N 0 0 314.363 0.230 50 0 DCAARN CCNS(=O)(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000175661638 198500262 /nfs/dbraw/zinc/50/02/62/198500262.db2.gz AHIVNORDSOPANO-NSHDSACASA-N 0 0 317.798 0.889 50 0 DCAARN COCCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 ZINC000003427442 181018376 /nfs/dbraw/zinc/01/83/76/181018376.db2.gz HVOOCHYMHWBDDD-UHFFFAOYSA-N 0 0 314.411 0.076 50 0 DCAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O ZINC000003460158 181023249 /nfs/dbraw/zinc/02/32/49/181023249.db2.gz DYJAIDXXLDHNLI-INIZCTEOSA-N 0 0 317.345 0.312 50 0 DCAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cnccn2)cc1 ZINC000003491214 181026340 /nfs/dbraw/zinc/02/63/40/181026340.db2.gz JCSORBVXXHXKGQ-UHFFFAOYSA-N 0 0 306.347 0.097 50 0 in-vitro DCAARN CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)NC1CC1 ZINC000003493145 181026417 /nfs/dbraw/zinc/02/64/17/181026417.db2.gz YTNLURUGDURJJL-NTEUORMPSA-N 0 0 302.330 0.985 50 0 DCAARN CCCNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000003563626 181035032 /nfs/dbraw/zinc/03/50/32/181035032.db2.gz ZZAHYSRLDUOQQL-INIZCTEOSA-N 0 0 301.346 0.906 50 0 DCAARN COCCNC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 ZINC000004045911 181066995 /nfs/dbraw/zinc/06/69/95/181066995.db2.gz IUYZOULOQGLPIH-WFASDCNBSA-N 0 0 318.329 0.609 50 0 biogenic DCAARN CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1cccc(C)c1 ZINC000004107516 181074179 /nfs/dbraw/zinc/07/41/79/181074179.db2.gz 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/nfs/dbraw/zinc/10/28/24/181102824.db2.gz NVRDCUWMSCZXSB-LBPRGKRZSA-N 0 0 321.377 0.143 50 0 DCAARN O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CCC(O)CC1 ZINC000004359847 181102855 /nfs/dbraw/zinc/10/28/55/181102855.db2.gz YKFLKFYXXFYICO-LBPRGKRZSA-N 0 0 303.362 0.958 50 0 DCAARN COc1ccc(N2C[C@@H](NC(=O)N3CCOCC3)CC2=O)cc1 ZINC000004373443 181103482 /nfs/dbraw/zinc/10/34/82/181103482.db2.gz QBMYTLPPJJXQHJ-LBPRGKRZSA-N 0 0 319.361 0.842 50 0 DCAARN COC[C@H](C)NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000004570157 181125942 /nfs/dbraw/zinc/12/59/42/181125942.db2.gz SMHVRCGUIHPIDV-JTQLQIEISA-N 0 0 324.402 0.835 50 0 DCAARN CSc1ccc(S(=O)(=O)N[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000004783662 181151953 /nfs/dbraw/zinc/15/19/53/181151953.db2.gz GLSZCWCVLABYBL-SECBINFHSA-N 0 0 319.429 0.998 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)OCCO2 ZINC000004925824 181173790 /nfs/dbraw/zinc/17/37/90/181173790.db2.gz TVAWIVNDOCVIKH-QMMMGPOBSA-N 0 0 308.290 0.459 50 0 DCAARN O=C(Cn1cnc2c(cnn2CCO)c1=O)Nc1ccccc1 ZINC000004940486 181176551 /nfs/dbraw/zinc/17/65/51/181176551.db2.gz KXQDZFIXIZVPCJ-UHFFFAOYSA-N 0 0 313.317 0.224 50 0 DCAARN Cn1cccc1[C@H](O)CNC(=O)C(=O)NCc1ccc(F)cc1 ZINC000075155146 191432168 /nfs/dbraw/zinc/43/21/68/191432168.db2.gz BXIOXXLHLPRKDA-CQSZACIVSA-N 0 0 319.336 0.630 50 0 DCAARN Cc1noc(COCC(=O)N2CCC[C@H](n3cncn3)C2)n1 ZINC000075612417 191501416 /nfs/dbraw/zinc/50/14/16/191501416.db2.gz FTUAVNHTNVUSLH-NSHDSACASA-N 0 0 306.326 0.350 50 0 DCAARN O=C(NCc1ccncc1)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000005352963 181233759 /nfs/dbraw/zinc/23/37/59/181233759.db2.gz FJUDYGSQQADEOO-ZDUSSCGKSA-N 0 0 319.361 0.500 50 0 DCAARN O=C(NCc1ccccn1)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000005352873 181234009 /nfs/dbraw/zinc/23/40/09/181234009.db2.gz QBCNRZOHWHMRMV-CYBMUJFWSA-N 0 0 319.361 0.500 50 0 DCAARN O=C(NCCCn1ccnc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000005452519 181244644 /nfs/dbraw/zinc/24/46/44/181244644.db2.gz DSUDCBWCGPJSLG-UHFFFAOYSA-N 0 0 313.317 0.233 50 0 DCAARN CC[C@H](CO)NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000180539545 199173292 /nfs/dbraw/zinc/17/32/92/199173292.db2.gz ILGYSNSKARWARD-GXTWGEPZSA-N 0 0 322.409 0.877 50 0 DCAARN COc1cc2c(cc1OC)CN(C(=O)[C@H]1COCCN1)CC2 ZINC000237408185 202257541 /nfs/dbraw/zinc/25/75/41/202257541.db2.gz QWFCRJQJCAOPPK-CYBMUJFWSA-N 0 0 306.362 0.577 50 0 DCAARN COc1ccc([C@@H](O)CNC(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000089438838 192790060 /nfs/dbraw/zinc/79/00/60/192790060.db2.gz NXEVUEKGWBXOQV-KGLIPLIRSA-N 0 0 321.377 0.697 50 0 DCAARN O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CNC(=O)N1 ZINC000089783146 192867914 /nfs/dbraw/zinc/86/79/14/192867914.db2.gz NINFQIXMJZEXSI-ZDUSSCGKSA-N 0 0 321.352 0.672 50 0 DCAARN CC[C@]1(C)NC(=O)N(NC(=O)[C@@H](C)Oc2cccnc2)C1=O ZINC000281119062 216091592 /nfs/dbraw/zinc/09/15/92/216091592.db2.gz HZSAXKPRVVUCQQ-OTYXRUKQSA-N 0 0 306.322 0.601 50 0 DCAARN O=C([O-])Cn1nccc1[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000426667376 304091516 /nfs/dbraw/zinc/09/15/16/304091516.db2.gz KZXMQXBFAWDCTD-ZDUSSCGKSA-N 0 0 320.393 0.770 50 0 DCAARN CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2ccc[nH]c2=O)C1 ZINC000244601904 202485251 /nfs/dbraw/zinc/48/52/51/202485251.db2.gz DUBPGXMGBMBCCZ-MGCOHNPYSA-N 0 0 317.349 0.567 50 0 DCAARN Cn1ccnc1[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)CCN1C ZINC000276507882 238320353 /nfs/dbraw/zinc/32/03/53/238320353.db2.gz CFVAVZOABMZVGE-GFCCVEGCSA-N 0 0 301.350 0.650 50 0 DCAARN O=C([C@@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CCc2n[nH]cc2C1 ZINC000408022811 296043984 /nfs/dbraw/zinc/04/39/84/296043984.db2.gz VNOZLNUIBIYPOF-SCZZXKLOSA-N 0 0 316.283 0.752 50 0 DCAARN C[C@@H](NC(=O)CCNS(C)(=O)=O)c1cn2ccsc2n1 ZINC000299765004 296045044 /nfs/dbraw/zinc/04/50/44/296045044.db2.gz YDKVHIFYQNPOEW-MRVPVSSYSA-N 0 0 316.408 0.512 50 0 DCAARN CNc1nc2c(c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)n1C ZINC000004945683 283700434 /nfs/dbraw/zinc/70/04/34/283700434.db2.gz CCDPRMFRCDXIMQ-UHFFFAOYSA-N 0 0 313.361 0.832 50 0 DCAARN C[C@@H]1CN(C(=O)[C@H]2CCN2C(=O)OC(C)(C)C)C[C@H]1C(N)=O ZINC000408516379 239271551 /nfs/dbraw/zinc/27/15/51/239271551.db2.gz RJTKKGVTSSMZMQ-GMTAPVOTSA-N 0 0 311.382 0.576 50 0 DCAARN C[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000409413955 239277913 /nfs/dbraw/zinc/27/79/13/239277913.db2.gz XFZHTWDRWCEXRB-ZJUUUORDSA-N 0 0 302.334 0.413 50 0 DCAARN CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1 ZINC000006680825 181370277 /nfs/dbraw/zinc/37/02/77/181370277.db2.gz YEPGCCNTVDKNTR-UHFFFAOYSA-N 0 0 318.420 0.909 50 0 DCAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(C2CC2)CC1 ZINC000071836783 283808442 /nfs/dbraw/zinc/80/84/42/283808442.db2.gz MAWVSIUWJVPJOZ-UHFFFAOYSA-N 0 0 320.393 0.158 50 0 DCAARN NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccccc2)c1=O ZINC000006765821 181385679 /nfs/dbraw/zinc/38/56/79/181385679.db2.gz OVOAAYOSBCIMRC-UHFFFAOYSA-N 0 0 309.325 0.697 50 0 DCAARN Cc1cnn(CC(=O)N2NC(C(F)F)=C[C@@]2(O)C(F)F)c1 ZINC000006790121 181388835 /nfs/dbraw/zinc/38/88/35/181388835.db2.gz ZTIMENVUONOLJL-LLVKDONJSA-N 0 0 308.235 0.999 50 0 DCAARN COCC[C@]1(CO)CCCN(C(=O)Cn2ccccc2=O)C1 ZINC000091320758 193040935 /nfs/dbraw/zinc/04/09/35/193040935.db2.gz MGTOOXBQGHSMKU-MRXNPFEDSA-N 0 0 308.378 0.486 50 0 DCAARN CCCn1cc(C(=O)NCCSc2nnnn2C)c(C)n1 ZINC000091391471 193049929 /nfs/dbraw/zinc/04/99/29/193049929.db2.gz REROUIZAPZCWRM-UHFFFAOYSA-N 0 0 309.399 0.647 50 0 DCAARN Cc1cc(C)n(C2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)n1 ZINC000091526258 193069615 /nfs/dbraw/zinc/06/96/15/193069615.db2.gz BWEZCQYLKHWXSI-GFCCVEGCSA-N 0 0 305.382 0.674 50 0 DCAARN COc1ccc2c(c1)OC[C@H](CNS(=O)(=O)N(C)C)C2 ZINC000091563148 193073315 /nfs/dbraw/zinc/07/33/15/193073315.db2.gz KTAMJZXJZCEFMY-JTQLQIEISA-N 0 0 300.380 0.642 50 0 DCAARN CCO[C@H]1COC[C@@H]1NC(=O)Cn1ncc2ccccc2c1=O ZINC000091563134 193073678 /nfs/dbraw/zinc/07/36/78/193073678.db2.gz USGWHGWJDUAJAA-KBPBESRZSA-N 0 0 317.345 0.317 50 0 DCAARN CNc1ncc(C(=O)N2CC[C@@](O)(CCOC)[C@H](C)C2)cn1 ZINC000091644563 193083928 /nfs/dbraw/zinc/08/39/28/193083928.db2.gz BEIJLFRBVCZCOR-IAQYHMDHSA-N 0 0 308.382 0.768 50 0 DCAARN NC(=O)CN1CC2(CCC1=O)CCN(Cc1ncccn1)CC2 ZINC000091644939 193084216 /nfs/dbraw/zinc/08/42/16/193084216.db2.gz QYUIMKZYYPPYSN-UHFFFAOYSA-N 0 0 317.393 0.167 50 0 DCAARN CN1CC[N@H+](CC(=O)[O-])C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091665105 193087641 /nfs/dbraw/zinc/08/76/41/193087641.db2.gz JPHOXLMIUNEFAN-INIZCTEOSA-N 0 0 309.410 0.480 50 0 DCAARN CN(C)C(=O)NCC(=O)N1CC[C@H](Cc2cccc(CO)c2)C1 ZINC000091707733 193094693 /nfs/dbraw/zinc/09/46/93/193094693.db2.gz UAMCDUKLDFZRQR-CQSZACIVSA-N 0 0 319.405 0.841 50 0 DCAARN NC(=O)c1cccc(C[C@@H]2CCN(C(=O)C3(CO)CC3)C2)c1 ZINC000091845656 193117304 /nfs/dbraw/zinc/11/73/04/193117304.db2.gz MBSJEKBYXBVYGQ-ZDUSSCGKSA-N 0 0 302.374 0.949 50 0 DCAARN CCN1CC2(CCC1=O)CCN(C(=O)CCn1cnnn1)CC2 ZINC000092020966 193143256 /nfs/dbraw/zinc/14/32/56/193143256.db2.gz NIXCVCOXAYSYIX-UHFFFAOYSA-N 0 0 320.397 0.314 50 0 DCAARN Cc1ccc2nc(CNC(=O)CC[C@H]3NC(=O)NC3=O)cn2c1 ZINC000092045615 193146998 /nfs/dbraw/zinc/14/69/98/193146998.db2.gz MDRBNTIBUIAKKL-LLVKDONJSA-N 0 0 315.333 0.247 50 0 DCAARN Cc1ncsc1CCN(C)C(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC000215479676 201461719 /nfs/dbraw/zinc/46/17/19/201461719.db2.gz CXKDRKRCQKHAEL-UHFFFAOYSA-N 0 0 322.390 0.311 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)NCc1ccc2c(c1)OCO2 ZINC000092080899 193154869 /nfs/dbraw/zinc/15/48/69/193154869.db2.gz KFEVXUJDNWHDKB-VIFPVBQESA-N 0 0 305.290 0.020 50 0 DCAARN NC(=O)CO[C@@H]1COCC[C@H]1NC(=O)CCCc1ccccc1 ZINC000220164188 201569920 /nfs/dbraw/zinc/56/99/20/201569920.db2.gz OMSJZHNGZINMLC-HUUCEWRRSA-N 0 0 320.389 0.785 50 0 DCAARN COCCN1C[C@H](Cc2nc3c(cc2C(N)=O)CCC3)CC1=O ZINC000223100536 201633500 /nfs/dbraw/zinc/63/35/00/201633500.db2.gz KVZBUQKGLGHRHH-LLVKDONJSA-N 0 0 317.389 0.707 50 0 DCAARN Cc1ccc(S(=O)(=O)CCC(=O)NCc2nc(N)n[nH]2)cc1 ZINC000223664375 201651889 /nfs/dbraw/zinc/65/18/89/201651889.db2.gz FUVSSAJHGOMGPG-UHFFFAOYSA-N 0 0 323.378 0.176 50 0 DCAARN CCc1nnc(CNC(=O)[C@H](CCSC)NC(C)=O)s1 ZINC000223775106 201656763 /nfs/dbraw/zinc/65/67/63/201656763.db2.gz SGSRIZMNYQZSTB-VIFPVBQESA-N 0 0 316.452 0.975 50 0 DCAARN O=C(NC1CCOCC1)[C@H]1CC(=O)N(Cc2cccnc2)C1 ZINC000095361967 193431470 /nfs/dbraw/zinc/43/14/70/193431470.db2.gz CHPRKHOLGHWOMC-ZDUSSCGKSA-N 0 0 303.362 0.725 50 0 DCAARN O=C(Cn1cn[nH]c1=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000096007118 193487531 /nfs/dbraw/zinc/48/75/31/193487531.db2.gz ZMMQVPTYDOSNKV-LBPRGKRZSA-N 0 0 319.340 0.496 50 0 DCAARN COCCCNC(=O)c1nn(-c2ccc(C)cc2)nc1CO ZINC000008613423 181569420 /nfs/dbraw/zinc/56/94/20/181569420.db2.gz UHDPNYSPZZYQPM-UHFFFAOYSA-N 0 0 304.350 0.834 50 0 DCAARN CCCCn1c(N)c(N(C)C(=O)c2ccco2)c(=O)[nH]c1=O ZINC000008938549 181592100 /nfs/dbraw/zinc/59/21/00/181592100.db2.gz UDYXKRFUYKRODB-UHFFFAOYSA-N 0 0 306.322 0.789 50 0 DCAARN CCOC(=O)CNC(=O)CSc1nnc(-c2cccnc2)o1 ZINC000010252214 181662354 /nfs/dbraw/zinc/66/23/54/181662354.db2.gz SMSWEAMBMHRPHD-UHFFFAOYSA-N 0 0 322.346 0.903 50 0 DCAARN Cc1cc(C)cc(S(=O)(=O)NCCn2ncccc2=O)c1 ZINC000011856388 181711898 /nfs/dbraw/zinc/71/18/98/181711898.db2.gz YQLGCZJTSMMTCV-UHFFFAOYSA-N 0 0 307.375 0.839 50 0 DCAARN COC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000012391973 181756536 /nfs/dbraw/zinc/75/65/36/181756536.db2.gz SLICURBJVHIJOA-JTQLQIEISA-N 0 0 306.318 0.337 50 0 DCAARN COC[C@H](C)NC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000012422782 181761047 /nfs/dbraw/zinc/76/10/47/181761047.db2.gz BZTSWILIGATHHH-ZETCQYMHSA-N 0 0 311.363 0.063 50 0 DCAARN CN(C(=O)c1ccc2c(n1)n(C)c(=O)n(C)c2=O)c1ccccc1 ZINC000012553845 181775856 /nfs/dbraw/zinc/77/58/56/181775856.db2.gz QSTOEHPKNDRCKX-UHFFFAOYSA-N 0 0 324.340 0.909 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)C[C@H](C)O1 ZINC000012599582 181781331 /nfs/dbraw/zinc/78/13/31/181781331.db2.gz JZUKNUXCOOFPPF-PHIMTYICSA-N 0 0 302.334 0.427 50 0 DCAARN COC(=O)c1ccc(C)c(NC(=O)Cn2ccc(=O)[nH]c2=O)c1 ZINC000012751446 181792912 /nfs/dbraw/zinc/79/29/12/181792912.db2.gz WJBMJTLBTRKGMD-UHFFFAOYSA-N 0 0 317.301 0.270 50 0 DCAARN COc1cc(C(=O)N2CCNC(=O)C2)ccc1OC(F)F ZINC000013000728 181820829 /nfs/dbraw/zinc/82/08/29/181820829.db2.gz OBCYVYTZVIQXOT-UHFFFAOYSA-N 0 0 300.261 0.869 50 0 DCAARN C[C@@H]1CN(C(=O)C[C@H]2CSc3nccc(=O)n32)C[C@H](C)O1 ZINC000014030941 181921002 /nfs/dbraw/zinc/92/10/02/181921002.db2.gz CEHKDKGCFYOZBU-AXFHLTTASA-N 0 0 309.391 0.916 50 0 DCAARN Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NC[C@@H]1CCCO1 ZINC000014031531 181921125 /nfs/dbraw/zinc/92/11/25/181921125.db2.gz DKVMIDYWKHBMHK-MNOVXSKESA-N 0 0 309.391 0.884 50 0 DCAARN CNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000016455465 182044970 /nfs/dbraw/zinc/04/49/70/182044970.db2.gz DQUBRHOZCNTEDD-CQSZACIVSA-N 0 0 322.296 0.048 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cncn1-c1ccccc1 ZINC000017636847 182085284 /nfs/dbraw/zinc/08/52/84/182085284.db2.gz CKDYIHSLCHKXFR-NSHDSACASA-N 0 0 305.359 0.789 50 0 DCAARN CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000018167600 182095689 /nfs/dbraw/zinc/09/56/89/182095689.db2.gz MLADPJLXXDWGFS-UHFFFAOYSA-N 0 0 323.374 0.637 50 0 DCAARN CCN1CCN(C(=O)CNC(=O)c2ccc(OC)cc2)CC1 ZINC000019358560 182117819 /nfs/dbraw/zinc/11/78/19/182117819.db2.gz PZCRLHCPNYKRHM-UHFFFAOYSA-N 0 0 305.378 0.589 50 0 DCAARN COc1ccc(OC)c(CN2CCN(S(C)(=O)=O)CC2)c1 ZINC000019551599 182129173 /nfs/dbraw/zinc/12/91/73/182129173.db2.gz IRPWETSWKOYDPF-UHFFFAOYSA-N 0 0 314.407 0.781 50 0 DCAARN CCOC(=O)[C@H]1CCc2sc3ncn(CC(N)=O)c(=O)c3c21 ZINC000019797240 182150919 /nfs/dbraw/zinc/15/09/19/182150919.db2.gz YYTYQKMYOUEXFH-ZETCQYMHSA-N 0 0 321.358 0.536 50 0 DCAARN Cc1csc([C@@H](C)N(C)C(=O)c2cc(=O)n(C)c(=O)n2C)n1 ZINC000097679816 193746093 /nfs/dbraw/zinc/74/60/93/193746093.db2.gz YPWRDKNHJLOJMD-SECBINFHSA-N 0 0 322.390 0.682 50 0 DCAARN COCCCNS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000020491709 182223610 /nfs/dbraw/zinc/22/36/10/182223610.db2.gz GORSRFGCWWKKIP-UHFFFAOYSA-N 0 0 314.363 0.641 50 0 DCAARN COCCN(CCOC)C(=O)c1ccc(CNC(N)=O)cc1 ZINC000020900104 182253039 /nfs/dbraw/zinc/25/30/39/182253039.db2.gz VCHQFJZGHSZUNG-UHFFFAOYSA-N 0 0 309.366 0.590 50 0 DCAARN C[C@H](O)CNC(=O)c1nn(-c2ccc(Cl)cc2)nc1CO ZINC000020869319 182250576 /nfs/dbraw/zinc/25/05/76/182250576.db2.gz QPSFUQDGFINYBS-QMMMGPOBSA-N 0 0 310.741 0.524 50 0 DCAARN Cn1cccc1C(=O)N1CCC[C@@H](Cn2cc(CO)nn2)C1 ZINC000020996668 182257878 /nfs/dbraw/zinc/25/78/78/182257878.db2.gz PHOKLYPFBSTPOW-GFCCVEGCSA-N 0 0 303.366 0.661 50 0 DCAARN Cc1ccc(OC[C@@H](O)CN2CCN(CCO)CC2)cc1C ZINC000021487182 182275081 /nfs/dbraw/zinc/27/50/81/182275081.db2.gz CPEUMMZDNSCLSL-INIZCTEOSA-N 0 0 308.422 0.653 50 0 DCAARN CCNC(=O)[C@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000021164900 182267452 /nfs/dbraw/zinc/26/74/52/182267452.db2.gz VDZJMPXWIWSLSV-JTQLQIEISA-N 0 0 321.406 0.812 50 0 DCAARN O=C(NCCN1CCOCC1)c1cc(=O)c2ccccc2o1 ZINC000021540728 182279786 /nfs/dbraw/zinc/27/97/86/182279786.db2.gz BPIVCQUBCFKKFK-UHFFFAOYSA-N 0 0 302.330 0.855 50 0 DCAARN COCCNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000021650762 182282814 /nfs/dbraw/zinc/28/28/14/182282814.db2.gz GTQDIJTXWHSZTO-UHFFFAOYSA-N 0 0 320.754 0.596 50 0 DCAARN CCn1nnc2cc(C(=O)NCCN3CCOCC3)ccc21 ZINC000022356605 182319701 /nfs/dbraw/zinc/31/97/01/182319701.db2.gz VXQQUBKOMNFSQZ-UHFFFAOYSA-N 0 0 303.366 0.513 50 0 DCAARN C[C@H]1CN(CC(=O)Nc2ccccc2SCC(N)=O)CCO1 ZINC000022373561 182320394 /nfs/dbraw/zinc/32/03/94/182320394.db2.gz FMFFUMSUEDHHAX-NSHDSACASA-N 0 0 323.418 0.923 50 0 DCAARN CCNC(=O)c1ccc2c(c1)nc1n2CCN(CCCO)C1 ZINC000023411517 182360210 /nfs/dbraw/zinc/36/02/10/182360210.db2.gz XTQDMAIBVIEVQY-UHFFFAOYSA-N 0 0 302.378 0.984 50 0 DCAARN Cn1ncc(N2CC[C@@H](CNC(=O)NC3CCCC3)C2)cc1=O ZINC000023582106 182363944 /nfs/dbraw/zinc/36/39/44/182363944.db2.gz DWLVNCBVNCQSGD-LBPRGKRZSA-N 0 0 319.409 0.848 50 0 DCAARN Cc1ccc(C(=O)OCC(=O)N2CCC[C@H](C(N)=O)C2)cn1 ZINC000024131398 182375652 /nfs/dbraw/zinc/37/56/52/182375652.db2.gz POROUIZMNSTCCH-LBPRGKRZSA-N 0 0 305.334 0.271 50 0 DCAARN CC[C@@H]1CN(C(=O)Cn2[nH]c(=O)c3ccccc3c2=O)CCO1 ZINC000023893567 182369801 /nfs/dbraw/zinc/36/98/01/182369801.db2.gz XDVABJZIGUIVKY-LLVKDONJSA-N 0 0 317.345 0.740 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1sc(C)nc1C ZINC000025028205 182399816 /nfs/dbraw/zinc/39/98/16/182399816.db2.gz JGHLXLLEPDHFRD-SECBINFHSA-N 0 0 311.363 0.264 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)NCCOc1ccccc1 ZINC000025646061 182419175 /nfs/dbraw/zinc/41/91/75/182419175.db2.gz IBNFJGZZWUKUDK-ZDUSSCGKSA-N 0 0 312.391 0.606 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CCCC[C@H]2C(N)=O)c1Cl ZINC000027976235 182501834 /nfs/dbraw/zinc/50/18/34/182501834.db2.gz MKSJTZAIGCMHEY-ZETCQYMHSA-N 0 0 306.775 0.102 50 0 DCAARN COc1ccc(OCCN(C)C(=O)c2ccc(=O)n(C)n2)cc1 ZINC000027996434 182502928 /nfs/dbraw/zinc/50/29/28/182502928.db2.gz ODCQCHUXDXIHRL-UHFFFAOYSA-N 0 0 317.345 0.940 50 0 DCAARN COC(=O)c1nnn(CC(=O)c2cccc(F)c2)c1C(=O)OC ZINC000098211190 193792191 /nfs/dbraw/zinc/79/21/91/193792191.db2.gz BNDHCCAWSVUGQY-UHFFFAOYSA-N 0 0 321.264 0.873 50 0 DCAARN Cc1nc(SCCN2C(=O)CCC2=O)sc1CC(N)=O ZINC000031447722 182613217 /nfs/dbraw/zinc/61/32/17/182613217.db2.gz ZBNULMHWNHSHDD-UHFFFAOYSA-N 0 0 313.404 0.720 50 0 DCAARN Cc1ccc(OC[C@@H](O)Cn2c3ncnn3c(=O)cc2C)cc1 ZINC000032932969 182683526 /nfs/dbraw/zinc/68/35/26/182683526.db2.gz ZGKPSPFHVWGFSR-ZDUSSCGKSA-N 0 0 314.345 0.948 50 0 DCAARN CN1c2ccccc2[C@H](NC(=O)C(=O)NCc2ccncc2)C1=O ZINC000101455294 193813698 /nfs/dbraw/zinc/81/36/98/193813698.db2.gz IXKNDTJXMPVGOH-AWEZNQCLSA-N 0 0 324.340 0.532 50 0 DCAARN O=C(Cc1noc(C(=O)NC2CC2)n1)NCc1ccccc1 ZINC000036359901 182819341 /nfs/dbraw/zinc/81/93/41/182819341.db2.gz ZXRMJWGXFCDJGU-UHFFFAOYSA-N 0 0 300.318 0.821 50 0 DCAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NC[C@H]1CCCO1 ZINC000036594813 182828116 /nfs/dbraw/zinc/82/81/16/182828116.db2.gz LAYFBHVJECGSIG-ZWNOBZJWSA-N 0 0 317.345 0.422 50 0 DCAARN NS(=O)(=O)NC[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000040378439 183058126 /nfs/dbraw/zinc/05/81/26/183058126.db2.gz HJWVLKGJCHWRBO-NSHDSACASA-N 0 0 317.436 0.322 50 0 DCAARN NS(=O)(=O)CCCNC(=O)Cc1c(F)cccc1Cl ZINC000040383255 183058271 /nfs/dbraw/zinc/05/82/71/183058271.db2.gz DFUZGTPNZLTDPK-UHFFFAOYSA-N 0 0 308.762 0.816 50 0 DCAARN O=C1CN(Cc2nc(COc3ccc(F)cc3)no2)CCN1 ZINC000040489752 183079354 /nfs/dbraw/zinc/07/93/54/183079354.db2.gz LTJHFYDQOICTBP-UHFFFAOYSA-N 0 0 306.297 0.720 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccccn2)C1 ZINC000040496333 183081219 /nfs/dbraw/zinc/08/12/19/183081219.db2.gz FYFJTUQHVJAJSH-GFCCVEGCSA-N 0 0 311.407 0.412 50 0 DCAARN CC[C@H](C)NC(=O)CN1CCN(Cc2nc(C3CC3)no2)CC1 ZINC000040497206 183081989 /nfs/dbraw/zinc/08/19/89/183081989.db2.gz ZXLCYBDEZIVRLJ-LBPRGKRZSA-N 0 0 321.425 0.979 50 0 DCAARN C[C@@H]1CN(C(=O)CCn2nnc3ccccc3c2=O)[C@H](C)CO1 ZINC000040499029 183082512 /nfs/dbraw/zinc/08/25/12/183082512.db2.gz ICRYXBUTYZVFFI-VXGBXAGGSA-N 0 0 316.361 0.817 50 0 DCAARN Cn1ncc(C(=O)NCCN2CCOCC2)c1-n1cccc1 ZINC000040512838 183087959 /nfs/dbraw/zinc/08/79/59/183087959.db2.gz UJPNWYODTAVJIJ-UHFFFAOYSA-N 0 0 303.366 0.273 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)NCCc2cccnc2)o1 ZINC000040514067 183088909 /nfs/dbraw/zinc/08/89/09/183088909.db2.gz UQDRJYVVILMENA-UHFFFAOYSA-N 0 0 309.347 0.555 50 0 DCAARN CCc1c(C(=O)NCCNC(C)=O)cnn1-c1ccccn1 ZINC000040513917 183088937 /nfs/dbraw/zinc/08/89/37/183088937.db2.gz MNHJIPKQUISCIZ-UHFFFAOYSA-N 0 0 301.350 0.696 50 0 DCAARN O=C(N[C@H]1CCCCNC1=O)c1ccc(Cn2cncn2)cc1 ZINC000040521834 183090809 /nfs/dbraw/zinc/09/08/09/183090809.db2.gz RBSQTPHDXSMQOF-AWEZNQCLSA-N 0 0 313.361 0.725 50 0 DCAARN CC(C)NC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000040549196 183099687 /nfs/dbraw/zinc/09/96/87/183099687.db2.gz PRRKTCBMUVSDHL-UHFFFAOYSA-N 0 0 315.381 0.902 50 0 DCAARN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCc1cccnc1 ZINC000040553276 183100303 /nfs/dbraw/zinc/10/03/03/183100303.db2.gz IKKAVJJNEFKVSL-UHFFFAOYSA-N 0 0 309.347 0.869 50 0 DCAARN O=C(NCCn1cccn1)c1ccc(S(=O)(=O)NC2CC2)o1 ZINC000040556399 183102589 /nfs/dbraw/zinc/10/25/89/183102589.db2.gz SKYXZEPHUCTYEY-UHFFFAOYSA-N 0 0 324.362 0.347 50 0 DCAARN Cn1nc(C(=O)N2CCN(C)CC2)cc1NC(=O)c1ccco1 ZINC000040745774 183128002 /nfs/dbraw/zinc/12/80/02/183128002.db2.gz MJDVQPIJLSUGPB-UHFFFAOYSA-N 0 0 317.349 0.653 50 0 DCAARN CCOc1ccc(C)cc1S(=O)(=O)N(CCO)CCO ZINC000041096541 183165108 /nfs/dbraw/zinc/16/51/08/183165108.db2.gz MDIGRDLLRGMGDL-UHFFFAOYSA-N 0 0 303.380 0.369 50 0 DCAARN O=C(NC[C@H]1CCOC1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000041938857 183225906 /nfs/dbraw/zinc/22/59/06/183225906.db2.gz UIYIBKMIYGATMU-ZIAGYGMSSA-N 0 0 301.350 0.610 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)N(C[C@@H]1CCOC1)C1CC1 ZINC000042871938 183316288 /nfs/dbraw/zinc/31/62/88/183316288.db2.gz IYZRXVKEUJIHSP-QWRGUYRKSA-N 0 0 302.396 0.384 50 0 DCAARN CCS(=O)(=O)N1CCC(NC(=O)c2ccccc2O)CC1 ZINC000042809167 183311054 /nfs/dbraw/zinc/31/10/54/183311054.db2.gz OUJPMFGOKVJNER-UHFFFAOYSA-N 0 0 312.391 0.936 50 0 DCAARN COc1ccc(CNC(=O)[C@@H](C)N2CCN(CCO)CC2)cc1 ZINC000043305555 183353135 /nfs/dbraw/zinc/35/31/35/183353135.db2.gz YHXBWKQEFMLJDN-CQSZACIVSA-N 0 0 321.421 0.310 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)[C@H]1COc2ccccc2O1 ZINC000044457207 183410964 /nfs/dbraw/zinc/41/09/64/183410964.db2.gz IWWUCYVKPMFYQM-ZWNOBZJWSA-N 0 0 311.359 0.377 50 0 DCAARN O=C(C1CCN(Cc2nnnn2C2CC2)CC1)N1CCOCC1 ZINC000044071206 183393200 /nfs/dbraw/zinc/39/32/00/183393200.db2.gz WNNKOTKMXCTDIW-UHFFFAOYSA-N 0 0 320.397 0.079 50 0 DCAARN COc1ccc(NC(=O)C(=O)NCc2c(C)n[nH]c2C)cn1 ZINC000044921077 183458490 /nfs/dbraw/zinc/45/84/90/183458490.db2.gz YFJHXJLEPYWYKB-UHFFFAOYSA-N 0 0 303.322 0.685 50 0 DCAARN CN(CCCc1nccn1C)c1nccc(N2CC[C@@H](O)C2)n1 ZINC000106263426 194192809 /nfs/dbraw/zinc/19/28/09/194192809.db2.gz GIXBLQUMIOKYON-CYBMUJFWSA-N 0 0 316.409 0.850 50 0 DCAARN CCn1cnnc1CNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000056066622 184004108 /nfs/dbraw/zinc/00/41/08/184004108.db2.gz KVRGTHCADCORQO-UHFFFAOYSA-N 0 0 324.362 0.548 50 0 DCAARN COCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000057280261 184031363 /nfs/dbraw/zinc/03/13/63/184031363.db2.gz ZFTVHVSRJGBOFY-UHFFFAOYSA-N 0 0 312.391 0.865 50 0 DCAARN O=C(N[C@H]1CCCCNC1=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000056978689 184022957 /nfs/dbraw/zinc/02/29/57/184022957.db2.gz ZJYSXWLUHRLNQB-JSGCOSHPSA-N 0 0 301.346 0.965 50 0 DCAARN NC(=O)C1(CNC(=O)c2cc(-c3ccco3)on2)CCOCC1 ZINC000057006906 184024599 /nfs/dbraw/zinc/02/45/99/184024599.db2.gz IMNSODWNJCZEJW-UHFFFAOYSA-N 0 0 319.317 0.947 50 0 DCAARN CCOC(=O)C1CCN([C@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000057378946 184036393 /nfs/dbraw/zinc/03/63/93/184036393.db2.gz KFROGWWBPRYNOB-SNVBAGLBSA-N 0 0 322.413 0.856 50 0 DCAARN CN(C)C(=O)COc1ccccc1C(=O)NC1=NCCS1 ZINC000057808546 184055609 /nfs/dbraw/zinc/05/56/09/184055609.db2.gz UIAJMSSNOKCFAE-UHFFFAOYSA-N 0 0 307.375 0.986 50 0 DCAARN COCCn1nc(C(=O)n2nc(N)c3ccccc32)ccc1=O ZINC000057963972 184063896 /nfs/dbraw/zinc/06/38/96/184063896.db2.gz XAFMCNSAGAQMRF-UHFFFAOYSA-N 0 0 313.317 0.510 50 0 DCAARN CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(C)cc1 ZINC000057996968 184066211 /nfs/dbraw/zinc/06/62/11/184066211.db2.gz BOBGRAHRTBYFHE-UHFFFAOYSA-N 0 0 314.363 0.034 50 0 DCAARN CN(CC(=O)Nc1ccc2c(c1)CCO2)[C@H]1CCS(=O)(=O)C1 ZINC000058197970 184087226 /nfs/dbraw/zinc/08/72/26/184087226.db2.gz KCNMJLUPFRFENG-ZDUSSCGKSA-N 0 0 324.402 0.679 50 0 DCAARN C[C@@H](NC(=O)CNC(=O)c1ccccc1)C(=O)NC1CCCC1 ZINC000058226121 184090904 /nfs/dbraw/zinc/09/09/04/184090904.db2.gz HNUKOGUGANMJMJ-GFCCVEGCSA-N 0 0 317.389 0.980 50 0 DCAARN O=S(=O)(N1CCCC1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000058392154 184111531 /nfs/dbraw/zinc/11/15/31/184111531.db2.gz WIYLZRCFEQBGQR-CYBMUJFWSA-N 0 0 303.428 0.124 50 0 DCAARN CCCS(=O)(=O)NCCNC(=O)Cc1ccc(F)cc1 ZINC000058282044 184099399 /nfs/dbraw/zinc/09/93/99/184099399.db2.gz XKAVSLMSSNTXNI-UHFFFAOYSA-N 0 0 302.371 0.814 50 0 DCAARN CCN(CC)C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 ZINC000058296035 184102014 /nfs/dbraw/zinc/10/20/14/184102014.db2.gz KPKJIOMBJXBTJI-UHFFFAOYSA-N 0 0 302.400 0.265 50 0 DCAARN CN(CCc1cccs1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000058304825 184102993 /nfs/dbraw/zinc/10/29/93/184102993.db2.gz UZVXWZYYDSVRGI-NSHDSACASA-N 0 0 316.448 0.526 50 0 DCAARN COCCCNC(=O)CN(C)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000063510723 184284357 /nfs/dbraw/zinc/28/43/57/184284357.db2.gz VJPOXLZMDPVCRD-LLVKDONJSA-N 0 0 312.370 0.395 50 0 DCAARN CCn1c2c(ccn2CC(=O)N2CCCC2)c(=O)n(CC)c1=O ZINC000065030800 184309034 /nfs/dbraw/zinc/30/90/34/184309034.db2.gz ZPLXVKDALTZFLR-UHFFFAOYSA-N 0 0 318.377 0.627 50 0 DCAARN CC(C)(C)SCCN1CC(=O)N2CC[C@@H](O)C[C@H]2C1=O ZINC000065407693 184339344 /nfs/dbraw/zinc/33/93/44/184339344.db2.gz AQUDITIALDONFU-MNOVXSKESA-N 0 0 300.424 0.712 50 0 DCAARN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC(C(=O)N(C)C)CC1 ZINC000065415447 184340774 /nfs/dbraw/zinc/34/07/74/184340774.db2.gz PSDPHGLXSAWWPK-JTQLQIEISA-N 0 0 321.429 0.381 50 0 DCAARN CCc1nc(C)c(CN2CCN(CCn3cncn3)CC2)[nH]1 ZINC000065424843 184343078 /nfs/dbraw/zinc/34/30/78/184343078.db2.gz LXZFNJKQFJUICR-UHFFFAOYSA-N 0 0 303.414 0.690 50 0 DCAARN CCc1cnc(C)nc1NC[C@@H]1CN(S(C)(=O)=O)CCO1 ZINC000065430249 184343571 /nfs/dbraw/zinc/34/35/71/184343571.db2.gz IXLOPWQFNKDPFU-GFCCVEGCSA-N 0 0 314.411 0.420 50 0 DCAARN C[C@@H]1CN(CCNC(=O)NCCCn2ccnc2)C[C@@H](C)O1 ZINC000065452705 184346798 /nfs/dbraw/zinc/34/67/98/184346798.db2.gz BFFLQNKFNRJBKM-ZIAGYGMSSA-N 0 0 309.414 0.682 50 0 DCAARN CC(=O)N1CCN(CCNC(=O)c2[nH]nc3ccccc32)CC1 ZINC000065451852 184346974 /nfs/dbraw/zinc/34/69/74/184346974.db2.gz KTTDZPXYWFJBDY-UHFFFAOYSA-N 0 0 315.377 0.457 50 0 DCAARN COC(=O)[C@H](Cc1ccccc1)NCC(=O)Nc1cnccn1 ZINC000065461685 184349059 /nfs/dbraw/zinc/34/90/59/184349059.db2.gz JYASBJGVHVGUKX-ZDUSSCGKSA-N 0 0 314.345 0.789 50 0 DCAARN Cc1csc([C@@H]2CN(c3ccc4nnnn4n3)CCO2)n1 ZINC000065474510 184351350 /nfs/dbraw/zinc/35/13/50/184351350.db2.gz PIRNFZSTKCJSKO-VIFPVBQESA-N 0 0 303.351 0.862 50 0 DCAARN COc1ccccc1-n1nnc(C(=O)NC(C)(C)C(N)=O)c1C ZINC000065405963 184338713 /nfs/dbraw/zinc/33/87/13/184338713.db2.gz LFRPRNNIHIPOHI-UHFFFAOYSA-N 0 0 317.349 0.578 50 0 DCAARN CC(=O)N1CCCN(C(=O)c2cnc3n[nH]c(C)c3c2)CC1 ZINC000065523183 184359171 /nfs/dbraw/zinc/35/91/71/184359171.db2.gz HVBJKLYHORULSU-UHFFFAOYSA-N 0 0 301.350 0.961 50 0 DCAARN CC[C@H](OC)C(=O)N1CCc2nc(N(C)C)[nH]c(=O)c2CC1 ZINC000065529267 184360328 /nfs/dbraw/zinc/36/03/28/184360328.db2.gz LTWRXWQLFCRGSL-LBPRGKRZSA-N 0 0 308.382 0.188 50 0 DCAARN Cn1ccnc1SCCNC(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000065529826 184360738 /nfs/dbraw/zinc/36/07/38/184360738.db2.gz KRWWGMVGXYZPEP-JTQLQIEISA-N 0 0 308.407 0.639 50 0 DCAARN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N1CCOC[C@@H]1C ZINC000065565108 184366615 /nfs/dbraw/zinc/36/66/15/184366615.db2.gz AIBFUUCFQXTLST-VIFPVBQESA-N 0 0 318.377 0.668 50 0 DCAARN CCC(=O)N[C@@H]1CCCN(c2ncnc3c2CN(C)CC3)C1 ZINC000065590819 184369863 /nfs/dbraw/zinc/36/98/63/184369863.db2.gz IIJFUGJEKRHHKV-GFCCVEGCSA-N 0 0 303.410 0.960 50 0 DCAARN Cc1noc(CN2CCc3ncnc(N4CCOCC4)c3C2)n1 ZINC000065513451 184358008 /nfs/dbraw/zinc/35/80/08/184358008.db2.gz GCEZQCSSACLDOW-UHFFFAOYSA-N 0 0 316.365 0.563 50 0 DCAARN CC(C)c1nc(CNC(=O)c2ccc(N(C)CCO)nc2)no1 ZINC000067650535 184476306 /nfs/dbraw/zinc/47/63/06/184476306.db2.gz HHNHYDNCJTZQCK-UHFFFAOYSA-N 0 0 319.365 0.947 50 0 DCAARN O=C(CN[C@H]1CCCCNC1=O)N=c1[nH]c2ccccc2[nH]1 ZINC000067741120 184484257 /nfs/dbraw/zinc/48/42/57/184484257.db2.gz HJIDGKJOOBJBCF-LBPRGKRZSA-N 0 0 301.350 0.182 50 0 DCAARN O=S(=O)(N1CCCCC1)N1CCN(CC(F)(F)F)CC1 ZINC000340526824 253270689 /nfs/dbraw/zinc/27/06/89/253270689.db2.gz KVHDMBBUCOZOCO-UHFFFAOYSA-N 0 0 315.361 0.897 50 0 DCAARN O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1[C@@H]1CCS(=O)(=O)C1 ZINC000004043972 296423924 /nfs/dbraw/zinc/42/39/24/296423924.db2.gz WPKUKLQILSUIFX-OLZOCXBDSA-N 0 0 320.370 0.563 50 0 biogenic DCAARN CCN1CCOC[C@H]1C(=O)n1nc2cc(OC)ccc2c1N ZINC000521398701 257234563 /nfs/dbraw/zinc/23/45/63/257234563.db2.gz KVHFXXIMRRJIAB-ZDUSSCGKSA-N 0 0 304.350 0.988 50 0 DCAARN COc1ccc(C(N)=O)cc1NC(=O)CCCn1cnnn1 ZINC000524733816 257213271 /nfs/dbraw/zinc/21/32/71/257213271.db2.gz SGPJGFFWSZHWNC-UHFFFAOYSA-N 0 0 304.310 0.200 50 0 DCAARN COC[C@@H]1[C@H](NC(=O)CN(C)Cc2cccnc2)[C@@H]2CCO[C@H]12 ZINC000219888528 257273799 /nfs/dbraw/zinc/27/37/99/257273799.db2.gz NLUNPCVBLCBIRF-ABFRBSLYSA-N 0 0 319.405 0.680 50 0 DCAARN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)[C@H]1CSCN1)CC2 ZINC000236952620 257239521 /nfs/dbraw/zinc/23/95/21/257239521.db2.gz BVOAQLUUGHRSJE-UTUOFQBUSA-N 0 0 300.424 0.427 50 0 DCAARN Cc1n[nH]c(C)c1CCN(C)C(=O)N[C@@H](C)Cn1cncn1 ZINC000426589941 257245950 /nfs/dbraw/zinc/24/59/50/257245950.db2.gz GTRWDYMZOMJQTF-JTQLQIEISA-N 0 0 305.386 0.891 50 0 DCAARN CN(Cc1cscn1)C(=O)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000426541349 257246852 /nfs/dbraw/zinc/24/68/52/257246852.db2.gz MIKZGURPLHVLGE-GFCCVEGCSA-N 0 0 312.439 0.989 50 0 DCAARN CCN(C(=O)Nc1cccn2cnnc12)[C@H]1CCS(=O)(=O)C1 ZINC000426552415 257247006 /nfs/dbraw/zinc/24/70/06/257247006.db2.gz YAVUNDFZSYDHBR-JTQLQIEISA-N 0 0 323.378 0.770 50 0 DCAARN C[C@H](C(=O)NCCn1cncn1)c1n[nH]c(=O)c2ccccc21 ZINC000426535226 257247298 /nfs/dbraw/zinc/24/72/98/257247298.db2.gz SNGLDOSJOANIQM-JTQLQIEISA-N 0 0 312.333 0.847 50 0 DCAARN CC(C)C(=O)N1CCn2nc(CNC(=O)[C@H]3CCOC3)cc2C1 ZINC000426485728 257249080 /nfs/dbraw/zinc/24/90/80/257249080.db2.gz LQPPJKVIVXHFAD-LBPRGKRZSA-N 0 0 320.393 0.534 50 0 DCAARN CC[C@H]1C(=O)N(C)CCN1C(=O)c1nnc2nc(C)ccn21 ZINC000426397650 257252402 /nfs/dbraw/zinc/25/24/02/257252402.db2.gz WJBVHOXTJIXARC-JTQLQIEISA-N 0 0 302.338 0.126 50 0 DCAARN CN(Cc1[nH]nc2c1CCCC2)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000426388622 257252660 /nfs/dbraw/zinc/25/26/60/257252660.db2.gz YUACEXSJWVKYPO-SNVBAGLBSA-N 0 0 311.407 0.682 50 0 DCAARN Cc1cc(=O)cc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)[nH]1 ZINC000426370800 257253294 /nfs/dbraw/zinc/25/32/94/257253294.db2.gz ZXNIBCYISCOJQK-UHFFFAOYSA-N 0 0 301.228 0.750 50 0 DCAARN CN1C(=O)COc2ccc(C(=O)NCCn3ccnn3)cc21 ZINC000426358292 257253315 /nfs/dbraw/zinc/25/33/15/257253315.db2.gz JXDZRCXDSQBYHF-UHFFFAOYSA-N 0 0 301.306 0.063 50 0 DCAARN COc1ccc(CNC(=O)CNC(=O)c2cnccn2)cc1 ZINC000334160972 257262744 /nfs/dbraw/zinc/26/27/44/257262744.db2.gz PWDQOURIMBGDLE-UHFFFAOYSA-N 0 0 300.318 0.531 50 0 DCAARN CCS(=O)(=O)Nc1ccc(NC(=O)C2(C(N)=O)CC2)cc1 ZINC000069670167 184835432 /nfs/dbraw/zinc/83/54/32/184835432.db2.gz RHVRQNFBIHCJAA-UHFFFAOYSA-N 0 0 311.363 0.652 50 0 DCAARN CS(=O)(=O)NCCOC(=O)c1cnc(-c2ccccc2)nc1 ZINC000071886045 184888268 /nfs/dbraw/zinc/88/82/68/184888268.db2.gz PAMDOWSDYVESLN-UHFFFAOYSA-N 0 0 321.358 0.850 50 0 DCAARN COc1ccc(C(=O)N([C@@H](C)CS(C)(=O)=O)C2CC2)nn1 ZINC000331908071 533288210 /nfs/dbraw/zinc/28/82/10/533288210.db2.gz COQUCUODTVEAPD-VIFPVBQESA-N 0 0 313.379 0.523 50 0 DCAARN CO[C@]12CCN(C(=O)c3cc4ncccn4n3)[C@H]1C[C@H](O)CC2 ZINC000299779660 533383412 /nfs/dbraw/zinc/38/34/12/533383412.db2.gz GKULNPAVDFCTRX-PVXIVEMSSA-N 0 0 316.361 0.874 50 0 DCAARN CCOc1ccccc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000007941238 134485713 /nfs/dbraw/zinc/48/57/13/134485713.db2.gz NUSXAZITHUVYTD-UHFFFAOYSA-N 0 0 316.365 0.421 50 0 DCAARN COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCO[C@H](C)C1 ZINC000042632622 134730693 /nfs/dbraw/zinc/73/06/93/134730693.db2.gz OYQWRNXVNXNVMG-SECBINFHSA-N 0 0 314.363 0.346 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)N1CCN(c2ncccn2)CC1 ZINC000046465500 134746621 /nfs/dbraw/zinc/74/66/21/134746621.db2.gz FAZSIHJZNJEYOX-ZDUSSCGKSA-N 0 0 315.381 0.593 50 0 DCAARN CNC(=O)CNC(=O)CSc1nnc(NC2CC2)s1 ZINC000008249535 395684349 /nfs/dbraw/zinc/68/43/49/395684349.db2.gz VUSBEEQOFRBPID-UHFFFAOYSA-N 0 0 301.397 0.067 50 0 DCAARN CCCS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000008394122 395684507 /nfs/dbraw/zinc/68/45/07/395684507.db2.gz FWDSQERBHJCKIL-UHFFFAOYSA-N 0 0 306.409 0.206 50 0 DCAARN Cn1c2ncn(Cc3cccc(F)c3F)c2c(=O)n(C)c1=O ZINC000008459665 395684643 /nfs/dbraw/zinc/68/46/43/395684643.db2.gz VNBOSKNKXIUOMT-UHFFFAOYSA-N 0 0 306.272 0.760 50 0 DCAARN CS(=O)(=O)CC[C@H]1NC(=O)N(Cc2ccccc2F)C1=O ZINC000008507000 395684646 /nfs/dbraw/zinc/68/46/46/395684646.db2.gz UVVTZCZBSIWZNR-LLVKDONJSA-N 0 0 314.338 0.681 50 0 DCAARN CCc1nnc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)s1 ZINC000009048299 395685118 /nfs/dbraw/zinc/68/51/18/395685118.db2.gz DKRCUZBPFFXPOH-ZETCQYMHSA-N 0 0 304.397 0.463 50 0 DCAARN C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CCO1 ZINC000010681964 395686154 /nfs/dbraw/zinc/68/61/54/395686154.db2.gz KYDDYMYPBAXVQI-JTQLQIEISA-N 0 0 310.375 0.981 50 0 DCAARN C[C@@H]1CN(C(=O)Cc2nn(C)c(=O)c3ccccc23)CCO1 ZINC000011497235 395686648 /nfs/dbraw/zinc/68/66/48/395686648.db2.gz LOWVEPRQCSMRGP-LLVKDONJSA-N 0 0 301.346 0.723 50 0 DCAARN CNC(=O)C1CCN(C(=O)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000011837309 395686834 /nfs/dbraw/zinc/68/68/34/395686834.db2.gz XOYVYAAUFIACHG-UHFFFAOYSA-N 0 0 314.345 0.521 50 0 DCAARN CCS(=O)(=O)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000011944248 395687011 /nfs/dbraw/zinc/68/70/11/395687011.db2.gz MWYJZHKESKWQMP-CYBMUJFWSA-N 0 0 314.382 0.908 50 0 DCAARN NC(=O)[C@H](NC(=O)c1n[nH]c(=O)c2ccccc21)c1ccccc1 ZINC000012050351 395687023 /nfs/dbraw/zinc/68/70/23/395687023.db2.gz WALHSVBOJODWPK-CYBMUJFWSA-N 0 0 322.324 0.880 50 0 DCAARN CC(=O)NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000012405994 395687648 /nfs/dbraw/zinc/68/76/48/395687648.db2.gz WVUKSEWFVDEGPZ-UHFFFAOYSA-N 0 0 307.375 0.992 50 0 DCAARN Cc1cc(NC(=O)N2CCCN(S(C)(=O)=O)CC2)no1 ZINC000012769636 395688078 /nfs/dbraw/zinc/68/80/78/395688078.db2.gz JIYDXRJDGLKCPK-UHFFFAOYSA-N 0 0 302.356 0.482 50 0 DCAARN O=C(CN1CCN(c2ccccc2O)CC1)N1CCNC1=O ZINC000013041040 395688423 /nfs/dbraw/zinc/68/84/23/395688423.db2.gz YQPZAVUSVUIMMT-UHFFFAOYSA-N 0 0 304.350 0.066 50 0 DCAARN CCn1nnc2c1ncn(CC(=O)N1CCC(C)CC1)c2=O ZINC000013531330 395688582 /nfs/dbraw/zinc/68/85/82/395688582.db2.gz GTAYCNCWFXBQSK-UHFFFAOYSA-N 0 0 304.354 0.266 50 0 DCAARN Cn1cc(CNC(=O)C[C@H]2C(=O)NCCN2CC(C)(C)C)cn1 ZINC000013596973 395688656 /nfs/dbraw/zinc/68/86/56/395688656.db2.gz ONJCLVDPIZTGEX-ZDUSSCGKSA-N 0 0 321.425 0.273 50 0 DCAARN CCn1nnc2c1ncnc2SCC(=O)NC[C@@H]1CCCO1 ZINC000013532209 395688668 /nfs/dbraw/zinc/68/86/68/395688668.db2.gz PKRLWLKPOGPFNU-VIFPVBQESA-N 0 0 322.394 0.629 50 0 DCAARN COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)Nc3ncnn32)c1 ZINC000013693208 395688755 /nfs/dbraw/zinc/68/87/55/395688755.db2.gz QLDROEAPKXTEQS-JTQLQIEISA-N 0 0 317.305 0.817 50 0 DCAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000013944174 395688945 /nfs/dbraw/zinc/68/89/45/395688945.db2.gz LQXVABVGWTUSGY-UHFFFAOYSA-N 0 0 313.379 0.732 50 0 DCAARN Cc1cccc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1C ZINC000013727248 395688968 /nfs/dbraw/zinc/68/89/68/395688968.db2.gz PQLDSTHIIRVRQT-HOTGVXAUSA-N 0 0 324.446 0.583 50 0 DCAARN COc1ccnc(N2CCN(C(=O)N3CCOCC3)CC2)n1 ZINC000014314568 395689515 /nfs/dbraw/zinc/68/95/15/395689515.db2.gz IIGWQAZCZJWCNO-UHFFFAOYSA-N 0 0 307.354 0.059 50 0 DCAARN COc1cc(C(=O)NCC(=O)NC2CC2)cc(OC)c1OC ZINC000014251340 395689526 /nfs/dbraw/zinc/68/95/26/395689526.db2.gz YSQABGJHGTZNFY-UHFFFAOYSA-N 0 0 308.334 0.721 50 0 DCAARN O=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000014671289 395689690 /nfs/dbraw/zinc/68/96/90/395689690.db2.gz OWMSOFBSEHJMAR-SNVBAGLBSA-N 0 0 322.386 0.952 50 0 DCAARN O=C(CN1CCC(O)CC1)N1CCN(c2ccccc2F)CC1 ZINC000021581897 395691588 /nfs/dbraw/zinc/69/15/88/395691588.db2.gz FNFRUKVUFASTJA-UHFFFAOYSA-N 0 0 321.396 0.931 50 0 DCAARN Cc1ccc(C)c(NC(=O)CON=c2ncnc3[nH]onc2-3)c1 ZINC000000036807 395679627 /nfs/dbraw/zinc/67/96/27/395679627.db2.gz PSJFIVOHTSMFJX-UHFFFAOYSA-N 0 0 314.305 0.985 50 0 DCAARN COC(=O)c1nnn(-c2nonc2N)c1CN1CCCCC1 ZINC000000051836 395679715 /nfs/dbraw/zinc/67/97/15/395679715.db2.gz IDVBHBPYGIROOY-UHFFFAOYSA-N 0 0 307.314 0.005 50 0 DCAARN COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000000079456 395679718 /nfs/dbraw/zinc/67/97/18/395679718.db2.gz YEWFMQPTEIBRFH-UHFFFAOYSA-N 0 0 303.311 0.633 50 0 DCAARN CCOC(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000000111590 395679782 /nfs/dbraw/zinc/67/97/82/395679782.db2.gz KGJJXJHOKPQOQK-UHFFFAOYSA-N 0 0 310.335 0.307 50 0 DCAARN Cc1cc(C)n2nc(SCC(=O)N3CCOCC3)nc2n1 ZINC000000217311 395680073 /nfs/dbraw/zinc/68/00/73/395680073.db2.gz NMAMVJJQLUTMFT-UHFFFAOYSA-N 0 0 307.379 0.692 50 0 DCAARN COC(=O)C1=C(N)N2C(=O)CSC2=C(C(=O)OC(C)C)C1 ZINC000000201402 395680092 /nfs/dbraw/zinc/68/00/92/395680092.db2.gz JHQOYIKXWANXTQ-UHFFFAOYSA-N 0 0 312.347 0.472 50 0 DCAARN CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N=C(N)S2)cc1 ZINC000000299777 395680200 /nfs/dbraw/zinc/68/02/00/395680200.db2.gz CZPRXHFJLDCLGJ-SNVBAGLBSA-N 0 0 306.347 0.930 50 0 DCAARN CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)Nc1ccccc1 ZINC000000528468 395680537 /nfs/dbraw/zinc/68/05/37/395680537.db2.gz VLESEFXDRIVONG-LBPRGKRZSA-N 0 0 305.334 0.972 50 0 DCAARN COc1ccc(N([C@@H]2CCS(=O)(=O)C2)S(C)(=O)=O)cc1 ZINC000001254034 395680736 /nfs/dbraw/zinc/68/07/36/395680736.db2.gz PETKWUXSVAYTGV-LLVKDONJSA-N 0 0 319.404 0.648 50 0 DCAARN CCOC(=O)CC[C@H](NC(=O)c1cncc(O)c1)C(=O)OCC ZINC000002267945 395681377 /nfs/dbraw/zinc/68/13/77/395681377.db2.gz CSNTWDPAZCYDKX-LBPRGKRZSA-N 0 0 324.333 0.792 50 0 biogenic DCAARN CCn1cc([C@@H]2C(C(N)=O)=C(C)N=C3SCC(=O)N32)cn1 ZINC000002730127 395681811 /nfs/dbraw/zinc/68/18/11/395681811.db2.gz WOSKQNIAMNDTLS-LLVKDONJSA-N 0 0 305.363 0.648 50 0 DCAARN CC(C)OCCCNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000002803909 395681899 /nfs/dbraw/zinc/68/18/99/395681899.db2.gz RWPHHOWEEVMDSK-UHFFFAOYSA-N 0 0 306.428 0.589 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCO)cc1 ZINC000002873136 395681969 /nfs/dbraw/zinc/68/19/69/395681969.db2.gz UYCJMUIJUXTCGE-CYBMUJFWSA-N 0 0 312.391 0.257 50 0 DCAARN CCOC(=O)c1cc([C@](O)(C(=O)OC)C(F)(F)F)c(N)o1 ZINC000003198850 395682243 /nfs/dbraw/zinc/68/22/43/395682243.db2.gz YGQRKPRANRIUFL-JTQLQIEISA-N 0 0 311.212 0.961 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)N(C)CC(=O)Nc1cccc(OC)c1 ZINC000008065726 395683889 /nfs/dbraw/zinc/68/38/89/395683889.db2.gz XZLTUBNMBDKFMB-JTQLQIEISA-N 0 0 322.365 0.410 50 0 DCAARN CCN(CC(=O)NC)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000030436108 395702552 /nfs/dbraw/zinc/70/25/52/395702552.db2.gz VSDORCDFNSYDJR-UHFFFAOYSA-N 0 0 314.363 0.214 50 0 DCAARN COc1ccc(N2C[C@H](C(=O)NCCNC(C)=O)CC2=O)cc1 ZINC000030547707 395703042 /nfs/dbraw/zinc/70/30/42/395703042.db2.gz SXADAXXYFLAXTJ-GFCCVEGCSA-N 0 0 319.361 0.300 50 0 DCAARN O=C(Cn1ncc2ccccc2c1=O)NN1CN=NC1=S ZINC000030564097 395703045 /nfs/dbraw/zinc/70/30/45/395703045.db2.gz ZLAYNXBMPKURCZ-UHFFFAOYSA-N 0 0 302.319 0.047 50 0 DCAARN CN(C)C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000030968917 395704693 /nfs/dbraw/zinc/70/46/93/395704693.db2.gz VOCDXRZPZKTFFT-AWEZNQCLSA-N 0 0 307.394 0.726 50 0 DCAARN CCCNC(=O)CSc1nc2cnn(C)c2c(=O)n1CC ZINC000036615189 395723860 /nfs/dbraw/zinc/72/38/60/395723860.db2.gz ZXSUPFDGCISTAK-UHFFFAOYSA-N 0 0 309.395 0.768 50 0 DCAARN O=C(/C=C/c1cnc2ccccc2n1)N[C@@H]1CCS(=O)(=O)C1 ZINC000031612474 395707169 /nfs/dbraw/zinc/70/71/69/395707169.db2.gz XKSGKRKJLDKAFF-BTDICHCPSA-N 0 0 317.370 0.946 50 0 DCAARN CNS(=O)(=O)c1cccc(CNC(=O)c2ccc[nH]c2=O)c1 ZINC000031747418 395708109 /nfs/dbraw/zinc/70/81/09/395708109.db2.gz BQYFFEOADQSYMH-UHFFFAOYSA-N 0 0 321.358 0.213 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)c3snnc3CC)CCO2)[nH]1 ZINC000089282691 395709351 /nfs/dbraw/zinc/70/93/51/395709351.db2.gz ISYXPSNKWUEMSX-SECBINFHSA-N 0 0 322.394 0.995 50 0 DCAARN CNC(=O)c1ccc(=O)n(Cc2nc(-c3ccoc3)no2)c1 ZINC000089391755 395710469 /nfs/dbraw/zinc/71/04/69/395710469.db2.gz ASLQWANCLUXWMY-UHFFFAOYSA-N 0 0 300.274 0.899 50 0 DCAARN C[C@H]1C[C@@H]1CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000032384704 395710745 /nfs/dbraw/zinc/71/07/45/395710745.db2.gz RHAZONHAUMRLMD-NKWVEPMBSA-N 0 0 316.155 0.071 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccnc2)C1 ZINC000032497804 395710976 /nfs/dbraw/zinc/71/09/76/395710976.db2.gz KYJGUJUELAJCBY-NSHDSACASA-N 0 0 312.395 0.539 50 0 DCAARN O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccccc2)CC1 ZINC000032490672 395711197 /nfs/dbraw/zinc/71/11/97/395711197.db2.gz UQSNLFMOYVUYTE-OAHLLOKOSA-N 0 0 322.430 0.766 50 0 DCAARN COc1cc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)ccn1 ZINC000089429347 395711702 /nfs/dbraw/zinc/71/17/02/395711702.db2.gz VFSCGINFNKBDMY-UHFFFAOYSA-N 0 0 318.377 0.013 50 0 DCAARN O=C(NCc1ccccn1)C1=NN(c2ccccc2)C(=O)CN1 ZINC000032646643 395711880 /nfs/dbraw/zinc/71/18/80/395711880.db2.gz OXPBXBCYRJGFCK-UHFFFAOYSA-N 0 0 309.329 0.648 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000032633728 395711982 /nfs/dbraw/zinc/71/19/82/395711982.db2.gz AMPWKOXYPRUENI-DTORHVGOSA-N 0 0 302.352 0.437 50 0 DCAARN CC(=O)Nc1cccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000032780642 395713370 /nfs/dbraw/zinc/71/33/70/395713370.db2.gz IXTIJDRPPCKREZ-ZDUSSCGKSA-N 0 0 310.375 0.904 50 0 DCAARN CCC(=O)NCC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000032826903 395713729 /nfs/dbraw/zinc/71/37/29/395713729.db2.gz VPICPRUGKJQFKI-UHFFFAOYSA-N 0 0 317.342 0.662 50 0 DCAARN CC(C)(C)OC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000089662482 395713744 /nfs/dbraw/zinc/71/37/44/395713744.db2.gz XUAROYMBWWDSCZ-QWRGUYRKSA-N 0 0 320.411 0.009 50 0 DCAARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000032857747 395714394 /nfs/dbraw/zinc/71/43/94/395714394.db2.gz QKTYLFCIFJBHLI-CWSCBRNRSA-N 0 0 311.359 0.518 50 0 DCAARN O=C(NC[C@@H]1CCCO1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000089834803 395715791 /nfs/dbraw/zinc/71/57/91/395715791.db2.gz AINMJBHOHXMDNL-LSDHHAIUSA-N 0 0 318.373 0.709 50 0 DCAARN COc1ncccc1CNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000033017295 395716104 /nfs/dbraw/zinc/71/61/04/395716104.db2.gz KDBISPXOAJSJMJ-NSHDSACASA-N 0 0 313.379 0.130 50 0 DCAARN CS(=O)(=O)c1ccc(C(=O)NCCCn2cncn2)cc1 ZINC000034100506 395717750 /nfs/dbraw/zinc/71/77/50/395717750.db2.gz IFZOBDOGYJPWJC-UHFFFAOYSA-N 0 0 308.363 0.502 50 0 DCAARN COCCNC(=O)Nc1nnc(SCC(=O)OC)s1 ZINC000035590177 395720715 /nfs/dbraw/zinc/72/07/15/395720715.db2.gz RPZCJVSKFRMBMU-UHFFFAOYSA-N 0 0 306.369 0.571 50 0 DCAARN COc1ccc(-c2nc3n(c2C(N)=O)CCS3(=O)=O)cc1 ZINC000035477057 395720948 /nfs/dbraw/zinc/72/09/48/395720948.db2.gz DSAJDAAPCYDCTR-UHFFFAOYSA-N 0 0 307.331 0.445 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(Cn2cccn2)c1 ZINC000028575303 395696057 /nfs/dbraw/zinc/69/60/57/395696057.db2.gz HGZZNIYVQBRLKK-AWEZNQCLSA-N 0 0 319.386 0.848 50 0 DCAARN c1cnnc(NC[C@H]2CN(Cc3nnnn3C3CC3)CCO2)c1 ZINC000084429242 395697422 /nfs/dbraw/zinc/69/74/22/395697422.db2.gz CQSIVDUFWKMWBS-LBPRGKRZSA-N 0 0 316.369 0.111 50 0 DCAARN CS(=O)(=O)NCCNC(=O)NCCc1ccccc1F ZINC000029324758 395697605 /nfs/dbraw/zinc/69/76/05/395697605.db2.gz YZCBQXKLLNMAOI-UHFFFAOYSA-N 0 0 303.359 0.217 50 0 DCAARN Cc1cc(C)c(CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)c(=O)[nH]1 ZINC000029551796 395698753 /nfs/dbraw/zinc/69/87/53/395698753.db2.gz HZNJKPROPSECDE-NSHDSACASA-N 0 0 303.362 0.619 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccn2)CC1 ZINC000037979667 395730064 /nfs/dbraw/zinc/73/00/64/395730064.db2.gz RZXQLESHSKOEGR-UHFFFAOYSA-N 0 0 303.771 0.452 50 0 DCAARN Cc1noc(CCCC(=O)N2CCN(c3cnccn3)CC2)n1 ZINC000041690945 395739161 /nfs/dbraw/zinc/73/91/61/395739161.db2.gz GEKOCFMTJUFGPM-UHFFFAOYSA-N 0 0 316.365 0.840 50 0 DCAARN COC(=O)CNC(=O)[C@@]1(C)Sc2ccccc2N(C)C1=O ZINC000040808237 395734699 /nfs/dbraw/zinc/73/46/99/395734699.db2.gz YUUGCEFYQIRGHL-CQSZACIVSA-N 0 0 308.359 0.803 50 0 DCAARN Cn1c(=O)[nH]c(=O)c2ccc(C(=O)N3CC(C)(C)C3(C)C)nc21 ZINC000095407020 395740525 /nfs/dbraw/zinc/74/05/25/395740525.db2.gz VTPAMJDYMJNZLP-UHFFFAOYSA-N 0 0 316.361 0.882 50 0 DCAARN CN(CCNC(=O)c1cccc(-n2cccn2)c1)S(C)(=O)=O ZINC000096151817 395746843 /nfs/dbraw/zinc/74/68/43/395746843.db2.gz FODARKJFONHTQQ-UHFFFAOYSA-N 0 0 322.390 0.494 50 0 DCAARN COc1c(C(=O)N2CCN(C)CC2)nnn1Cc1ccccc1 ZINC000096183483 395747383 /nfs/dbraw/zinc/74/73/83/395747383.db2.gz DFWWYXDUUDQYJP-UHFFFAOYSA-N 0 0 315.377 0.723 50 0 DCAARN Cc1nc(N(C)C)nc(C)c1NC(=O)COc1ncccn1 ZINC000096120719 395745613 /nfs/dbraw/zinc/74/56/13/395745613.db2.gz HDWXSYVRGGLQDF-UHFFFAOYSA-N 0 0 302.338 0.967 50 0 DCAARN CCCN1C(=O)N[C@@H](CC(=O)N2CCc3[nH]cnc3C2)C1=O ZINC000096138129 395745990 /nfs/dbraw/zinc/74/59/90/395745990.db2.gz BSECNOSQYGLRNW-JTQLQIEISA-N 0 0 305.338 0.015 50 0 DCAARN CC(C)c1nc(N(C)C)nc(N2CCN(CCCO)CC2)n1 ZINC000096488999 395753678 /nfs/dbraw/zinc/75/36/78/395753678.db2.gz BNPWTSRGEIJCCC-UHFFFAOYSA-N 0 0 308.430 0.565 50 0 DCAARN OCCn1ncc2c1ncnc2NCCNc1ncccn1 ZINC000097200374 395755762 /nfs/dbraw/zinc/75/57/62/395755762.db2.gz YNVYBQDWXPIRAY-UHFFFAOYSA-N 0 0 300.326 0.133 50 0 DCAARN CC(C)CNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)O)cc1 ZINC000097219078 395756057 /nfs/dbraw/zinc/75/60/57/395756057.db2.gz BPERNATVGFDKGI-NSHDSACASA-N 0 0 314.407 0.732 50 0 DCAARN NS(=O)(=O)N1CCN(CCCc2cccc(F)c2)CC1 ZINC000097233685 395756620 /nfs/dbraw/zinc/75/66/20/395756620.db2.gz XCDLFGXNSKRRFD-UHFFFAOYSA-N 0 0 301.387 0.579 50 0 DCAARN O=C(CCc1nnc2ccccn2c1=O)NCC1CCOCC1 ZINC000096223332 395750451 /nfs/dbraw/zinc/75/04/51/395750451.db2.gz PCTYFNANOUUNBB-UHFFFAOYSA-N 0 0 316.361 0.565 50 0 DCAARN Cc1cc(O)cc(=O)n1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000096223827 395750551 /nfs/dbraw/zinc/75/05/51/395750551.db2.gz VACXLZIFJHECQW-UHFFFAOYSA-N 0 0 316.313 0.907 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)N(C)Cc2ccco2)CC1 ZINC000046869150 395781625 /nfs/dbraw/zinc/78/16/25/395781625.db2.gz MRCGJJSNSGUHME-UHFFFAOYSA-N 0 0 308.382 0.631 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000047152071 395788517 /nfs/dbraw/zinc/78/85/17/395788517.db2.gz IFYLBCRSKMRTIE-GFCCVEGCSA-N 0 0 316.365 0.113 50 0 DCAARN O=C([O-])[C@@H]1C[NH2+]CCN(C(=O)CC2Cc3ccccc3C2)C1 ZINC000097744611 395760361 /nfs/dbraw/zinc/76/03/61/395760361.db2.gz UFSRBHUKECQCLS-OAHLLOKOSA-N 0 0 302.374 0.924 50 0 DCAARN O=C(c1ccc(CN2CCCC2)o1)N1CCS(=O)(=O)CC1 ZINC000097713465 395760433 /nfs/dbraw/zinc/76/04/33/395760433.db2.gz ZVUPTEWBRXYUJL-UHFFFAOYSA-N 0 0 312.391 0.746 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)NCc1cc2c(s1)CCCC2 ZINC000097915077 395761039 /nfs/dbraw/zinc/76/10/39/395761039.db2.gz QRABVKHXHCQXRM-JTQLQIEISA-N 0 0 307.375 0.841 50 0 DCAARN Cc1noc(COC2CCN(C(=O)c3cnccn3)CC2)n1 ZINC000097942414 395761341 /nfs/dbraw/zinc/76/13/41/395761341.db2.gz JBBQTPXPSZUZHG-UHFFFAOYSA-N 0 0 303.322 0.989 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)Nc1cnn(-c2ccccc2)c1 ZINC000097931239 395761401 /nfs/dbraw/zinc/76/14/01/395761401.db2.gz ROFAUOQRRNBETJ-GFCCVEGCSA-N 0 0 313.317 0.799 50 0 DCAARN CNC(=O)CN(C)C(=O)/C=C\c1ccc(C(=O)NC2CC2)cc1 ZINC000098005576 395761406 /nfs/dbraw/zinc/76/14/06/395761406.db2.gz HUCOGWMGVSHFJK-YHYXMXQVSA-N 0 0 315.373 0.796 50 0 DCAARN CN1[C@@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC000100115339 395762713 /nfs/dbraw/zinc/76/27/13/395762713.db2.gz STECJAGHUSJQJN-WGGGBPLMSA-N 0 0 303.358 0.918 50 0 biogenic,in-vitro DCAARN NS(=O)(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000100312832 395762877 /nfs/dbraw/zinc/76/28/77/395762877.db2.gz YPFHKBFGEADHCD-TXEJJXNPSA-N 0 0 306.343 0.790 50 0 DCAARN O=C1C[C@@H](N2CCN(CCO)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100469242 395763249 /nfs/dbraw/zinc/76/32/49/395763249.db2.gz MUHWOSCKXTZLGL-CQSZACIVSA-N 0 0 321.352 0.068 50 0 DCAARN CCOC(=O)CN[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O ZINC000100994946 395764000 /nfs/dbraw/zinc/76/40/00/395764000.db2.gz JHOGLOXOBXMMRE-CYBMUJFWSA-N 0 0 320.345 0.870 50 0 DCAARN CC(=O)N1CCN(c2c(NC3CCCCC3)c(=O)c2=O)CC1 ZINC000101442216 395764466 /nfs/dbraw/zinc/76/44/66/395764466.db2.gz FYHJTNQXYVPIOQ-UHFFFAOYSA-N 0 0 305.378 0.696 50 0 DCAARN CC(=O)N1CCN(c2c(=O)c(=O)c2NCc2ccccc2)CC1 ZINC000101442295 395764810 /nfs/dbraw/zinc/76/48/10/395764810.db2.gz YDFMMSWPNFCNFU-UHFFFAOYSA-N 0 0 313.357 0.563 50 0 DCAARN Cc1ccc(N2C(=O)C[C@@H](N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000101622741 395766128 /nfs/dbraw/zinc/76/61/28/395766128.db2.gz MPVACWMXHVRPFD-DGCLKSJQSA-N 0 0 322.386 0.404 50 0 DCAARN Cc1ccn(CCNc2c(=O)c(=O)c2NCCC[NH+](C)C)n1 ZINC000101683386 395766674 /nfs/dbraw/zinc/76/66/74/395766674.db2.gz YIXCNMVOSHHZFG-UHFFFAOYSA-N 0 0 305.382 0.263 50 0 DCAARN Cc1csc(CCCNC(=O)CC[C@@H]2NC(=O)NC2=O)n1 ZINC000102380095 395769956 /nfs/dbraw/zinc/76/99/56/395769956.db2.gz BGPSAGNKNFNKAK-VIFPVBQESA-N 0 0 310.379 0.489 50 0 DCAARN CC(C)n1cncc1CN1CCC(NS(C)(=O)=O)CC1 ZINC000102541071 395770553 /nfs/dbraw/zinc/77/05/53/395770553.db2.gz SGWQQJIGKFSXPG-UHFFFAOYSA-N 0 0 300.428 0.978 50 0 DCAARN CCn1cnnc1CNC(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000048261768 395811590 /nfs/dbraw/zinc/81/15/90/395811590.db2.gz UWGVRZPIYCXWER-ZDUSSCGKSA-N 0 0 324.429 0.454 50 0 DCAARN CCOC(=O)c1ccc(N2CCN(C(=O)COC)CC2)nc1 ZINC000048331989 395813307 /nfs/dbraw/zinc/81/33/07/395813307.db2.gz VOEKWFIJHRHWTK-UHFFFAOYSA-N 0 0 307.350 0.553 50 0 DCAARN COCCNC(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000049369646 395831093 /nfs/dbraw/zinc/83/10/93/395831093.db2.gz OHEQIMJWOBSELR-UHFFFAOYSA-N 0 0 300.380 0.796 50 0 DCAARN NC(=O)CC1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 ZINC000049392039 395831810 /nfs/dbraw/zinc/83/18/10/395831810.db2.gz NNIVYVIBMVSQTR-CQSZACIVSA-N 0 0 316.357 0.882 50 0 DCAARN COC[C@@H](NC(=O)c1cc(C)cc(Br)c1)C(N)=O ZINC000195565656 395831954 /nfs/dbraw/zinc/83/19/54/395831954.db2.gz AWPTUKHICHXDEQ-SNVBAGLBSA-N 0 0 315.167 0.988 50 0 DCAARN C[C@H](NS(=O)(=O)N1CCCC[C@H]1C)C(=O)NC(C)(C)C ZINC000049443194 395832062 /nfs/dbraw/zinc/83/20/62/395832062.db2.gz DANYIDZQAVWPEG-MNOVXSKESA-N 0 0 305.444 0.998 50 0 DCAARN COC(=O)CN1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1 ZINC000195578166 395832216 /nfs/dbraw/zinc/83/22/16/395832216.db2.gz NWJNJDAPJQZQQZ-UHFFFAOYSA-N 0 0 312.316 0.825 50 0 DCAARN CC[C@@H](COC)NC(=O)/C=C/c1ccc(S(N)(=O)=O)cc1 ZINC000225407006 395860032 /nfs/dbraw/zinc/86/00/32/395860032.db2.gz QPFOCJNUMVQXJZ-LZGFCCKTSA-N 0 0 312.391 0.888 50 0 DCAARN Cc1nc(CCNC(=O)c2cc(N)n[nH]2)nc2c1CCCC2 ZINC000214989111 395836751 /nfs/dbraw/zinc/83/67/51/395836751.db2.gz IOYXMCUSPHIBPQ-UHFFFAOYSA-N 0 0 300.366 0.942 50 0 DCAARN O=C(CCCn1cnnn1)N[C@@H]1COCC[C@@H]1OCC1CCC1 ZINC000219035523 395843915 /nfs/dbraw/zinc/84/39/15/395843915.db2.gz ZPOYVRHHQDQDQW-KGLIPLIRSA-N 0 0 323.397 0.544 50 0 DCAARN COc1ccc(C(=O)NCCSc2c[nH]nn2)c(OC)n1 ZINC000219314725 395845534 /nfs/dbraw/zinc/84/55/34/395845534.db2.gz XSUZEBOCZRCERP-UHFFFAOYSA-N 0 0 309.351 0.739 50 0 DCAARN COCc1ccc(C(=O)N[C@H]2C[C@@H](c3nnc(CO)n3C)C2)o1 ZINC000219377768 395845582 /nfs/dbraw/zinc/84/55/82/395845582.db2.gz OKXVEVWZAXHGLO-MGCOHNPYSA-N 0 0 320.349 0.723 50 0 DCAARN O=C(CN1CCOC1=O)N1CCCN(Cc2ccccn2)CC1 ZINC000219934693 395846954 /nfs/dbraw/zinc/84/69/54/395846954.db2.gz SEKHRWRUVYXZJJ-UHFFFAOYSA-N 0 0 318.377 0.568 50 0 DCAARN CCc1nccn1CC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000219967186 395847222 /nfs/dbraw/zinc/84/72/22/395847222.db2.gz LXTJQDDUTPXYOF-UHFFFAOYSA-N 0 0 316.409 0.523 50 0 DCAARN CN1C[C@H](C(=O)N2CCC[C@@H](Oc3cnccn3)C2)CC1=O ZINC000225475482 395860979 /nfs/dbraw/zinc/86/09/79/395860979.db2.gz VEASELGWAUQJGP-VXGBXAGGSA-N 0 0 304.350 0.325 50 0 DCAARN Cc1nnnn1CCC(=O)NCc1nc(-c2cccnc2)no1 ZINC000223083347 395854128 /nfs/dbraw/zinc/85/41/28/395854128.db2.gz XHTVUXZDITYJDX-UHFFFAOYSA-N 0 0 314.309 0.133 50 0 DCAARN CC[C@@H](NS(=O)(=O)c1cccc2nn(C)nc21)C1CC(O)C1 ZINC000223294482 395855010 /nfs/dbraw/zinc/85/50/10/395855010.db2.gz OYHFHBCUGZHUPX-VQXHTEKXSA-N 0 0 324.406 0.796 50 0 DCAARN O=C(NC[C@H]1Cc2ccccc2O1)N[C@H]1CCS(=O)(=O)C1 ZINC000047594979 395796102 /nfs/dbraw/zinc/79/61/02/395796102.db2.gz OPGXQRKGEGHZBQ-NWDGAFQWSA-N 0 0 310.375 0.476 50 0 DCAARN O=C1C[C@@H](Nc2cc(=O)[nH]c(=O)[nH]2)C(=O)N1Cc1ccccc1 ZINC000109034487 395796384 /nfs/dbraw/zinc/79/63/84/395796384.db2.gz PNFHTFIMDYIMOE-SNVBAGLBSA-N 0 0 314.301 0.215 50 0 DCAARN O=C(NCc1nnc2n1CCC2)c1ccnc(-n2cncn2)c1 ZINC000053792917 395889142 /nfs/dbraw/zinc/88/91/42/395889142.db2.gz FUSPICONFHOUSC-UHFFFAOYSA-N 0 0 310.321 0.130 50 0 DCAARN CN1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000054455490 395900152 /nfs/dbraw/zinc/90/01/52/395900152.db2.gz OBAKYFPPUCCPDU-AWEZNQCLSA-N 0 0 300.366 0.231 50 0 DCAARN O=C(NCC(F)(F)F)[C@H]1CCCN1Cc1nnnn1C1CC1 ZINC000054991923 395908727 /nfs/dbraw/zinc/90/87/27/395908727.db2.gz PRZNIGAKSVUQGE-SECBINFHSA-N 0 0 318.303 0.651 50 0 DCAARN CCCNS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 ZINC000055175438 395912686 /nfs/dbraw/zinc/91/26/86/395912686.db2.gz HZEWAARZKNUEQC-UHFFFAOYSA-N 0 0 321.424 0.593 50 0 DCAARN CN(C[C@@H](O)CO)C(=O)CCC(=O)NC1CCCCCCC1 ZINC000055413328 395918672 /nfs/dbraw/zinc/91/86/72/395918672.db2.gz MONVXJVVRGHSCZ-CQSZACIVSA-N 0 0 314.426 0.807 50 0 DCAARN O=C(Nc1cc(CNC(=O)[C@@H]2CCCO2)ccn1)[C@H]1CCCO1 ZINC000273413340 395919941 /nfs/dbraw/zinc/91/99/41/395919941.db2.gz WNDZRLYCKZBQLA-QWHCGFSZSA-N 0 0 319.361 0.994 50 0 DCAARN O=C(NC1CCCCCC1)c1cc2n(n1)C[C@@H](O)CNC2=O ZINC000244842351 395925184 /nfs/dbraw/zinc/92/51/84/395925184.db2.gz UPCCHDFWUJOMGT-NSHDSACASA-N 0 0 306.366 0.440 50 0 DCAARN O=c1[nH]ccn1CCN1CCNC(=O)[C@H]1c1ccc(F)cc1 ZINC000244723585 395925430 /nfs/dbraw/zinc/92/54/30/395925430.db2.gz MECSLBJARQJSFK-CYBMUJFWSA-N 0 0 304.325 0.489 50 0 DCAARN CS(=O)(=O)N1CCC(CNC(=O)NC[C@H]2CCCO2)CC1 ZINC000225554104 395861598 /nfs/dbraw/zinc/86/15/98/395861598.db2.gz WGXYEMZXUBAZOO-GFCCVEGCSA-N 0 0 319.427 0.136 50 0 DCAARN COc1cncc(O[C@H]2CCCN(C(=O)Cn3cccn3)C2)n1 ZINC000225498674 395861776 /nfs/dbraw/zinc/86/17/76/395861776.db2.gz WEFPTICYSGYGIY-LBPRGKRZSA-N 0 0 317.349 0.752 50 0 DCAARN CC(=O)N1CC(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)C1 ZINC000225575791 395862186 /nfs/dbraw/zinc/86/21/86/395862186.db2.gz LAWFJSNXAZTXTR-HUUCEWRRSA-N 0 0 306.337 0.938 50 0 DCAARN COC(=O)[C@@](C)(O)CN1CCN(Cc2cccc(O)c2)CC1 ZINC000225561917 395862281 /nfs/dbraw/zinc/86/22/81/395862281.db2.gz NCCXCOOQZYZIDY-INIZCTEOSA-N 0 0 308.378 0.434 50 0 DCAARN Cc1cnc(C(=O)N2CCCC[C@H]2c2cc(C(N)=O)[nH]n2)cn1 ZINC000225557453 395862530 /nfs/dbraw/zinc/86/25/30/395862530.db2.gz LCNRNQOTUVTQNA-ZDUSSCGKSA-N 0 0 314.349 0.974 50 0 DCAARN C[C@H](C(=O)NCc1nc(-c2cc[nH]c(=O)c2)no1)n1cccn1 ZINC000225802794 395863645 /nfs/dbraw/zinc/86/36/45/395863645.db2.gz MGJKWVRGZDSKFV-SECBINFHSA-N 0 0 314.305 0.499 50 0 DCAARN O=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1ccc(=O)[nH]c1 ZINC000225803229 395863736 /nfs/dbraw/zinc/86/37/36/395863736.db2.gz KZSOUTRRYKEKLD-UHFFFAOYSA-N 0 0 313.273 0.043 50 0 DCAARN CNC(=O)COc1ccc(S(=O)(=O)NCCCOC)cc1 ZINC000226687275 395867335 /nfs/dbraw/zinc/86/73/35/395867335.db2.gz VOTYAKWCGWHANF-UHFFFAOYSA-N 0 0 316.379 0.126 50 0 DCAARN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)NCC(F)(F)F ZINC000229316587 395874261 /nfs/dbraw/zinc/87/42/61/395874261.db2.gz OUNLBXISZQNYNT-GUBZILKMSA-N 0 0 307.316 0.783 50 0 DCAARN Cc1cc(C(=O)N2CCN(Cc3ccn(C)c(=O)c3)CC2)on1 ZINC000052967025 395874395 /nfs/dbraw/zinc/87/43/95/395874395.db2.gz WFFVNINKDURVQZ-UHFFFAOYSA-N 0 0 316.361 0.640 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCO[C@@H](Cn3cccn3)C2)no1 ZINC000229502525 395874667 /nfs/dbraw/zinc/87/46/67/395874667.db2.gz ZNYKQTUSAOQICM-CHWSQXEVSA-N 0 0 319.365 0.908 50 0 DCAARN C[C@H](CNC(=O)[C@H]1CC(=O)N(C2CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000229576979 395875484 /nfs/dbraw/zinc/87/54/84/395875484.db2.gz SXAUNLLPTSVXTJ-MQYQWHSLSA-N 0 0 323.437 0.611 50 0 DCAARN O[C@@H](COCc1ccco1)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000229554938 395875553 /nfs/dbraw/zinc/87/55/53/395875553.db2.gz HJWSRRACEWBEPS-GDBMZVCRSA-N 0 0 321.377 0.755 50 0 DCAARN C[C@@H](CN1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccc(F)cc1 ZINC000230310540 395879939 /nfs/dbraw/zinc/87/99/39/395879939.db2.gz HOYVCXUCIRCGPE-FZMZJTMJSA-N 0 0 305.353 0.572 50 0 DCAARN Cc1noc(C2CCN(C(=O)CCNS(C)(=O)=O)CC2)n1 ZINC000053448388 395884138 /nfs/dbraw/zinc/88/41/38/395884138.db2.gz QYPYPAZHAZHVHR-UHFFFAOYSA-N 0 0 316.383 0.023 50 0 DCAARN CC(C)(C)OC(=O)NC1CCN(c2cc(=O)nc(N)[nH]2)CC1 ZINC000057530730 395945780 /nfs/dbraw/zinc/94/57/80/395945780.db2.gz WNOAKGNKDRSMCI-UHFFFAOYSA-N 0 0 309.370 0.846 50 0 DCAARN Cc1nnc([C@H]2CN([C@H](C)C(=O)Nc3nccs3)CCO2)[nH]1 ZINC000246902937 395961084 /nfs/dbraw/zinc/96/10/84/395961084.db2.gz HUNMWYSYMHERBG-PSASIEDQSA-N 0 0 322.394 0.970 50 0 DCAARN C[C@H]1CC(=O)c2cc(C(=O)N3CCN(C)CC3)c(=O)[nH]c2C1 ZINC000061720706 395970752 /nfs/dbraw/zinc/97/07/52/395970752.db2.gz BPLQIRDAMFSVMX-SNVBAGLBSA-N 0 0 303.362 0.528 50 0 DCAARN NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)NCC(F)(F)F ZINC000247744449 395977977 /nfs/dbraw/zinc/97/79/77/395977977.db2.gz OUNLBXISZQNYNT-AEJSXWLSSA-N 0 0 307.316 0.783 50 0 DCAARN O=C(CCN1CCCCO1)NCc1noc([C@H]2CCCO2)n1 ZINC000063833411 395983898 /nfs/dbraw/zinc/98/38/98/395983898.db2.gz OUMINSQEHLCCEM-LLVKDONJSA-N 0 0 310.354 0.955 50 0 DCAARN CCC(=O)Nc1ccc(C)n(CC(=O)NC[C@H]2CCCO2)c1=O ZINC000065212165 395991546 /nfs/dbraw/zinc/99/15/46/395991546.db2.gz LGNZHGGOGGYMFA-GFCCVEGCSA-N 0 0 321.377 0.800 50 0 DCAARN CN1CCN(c2ncc(F)c(N3CCCC3)n2)C[C@@H]1CCO ZINC000065382444 395993303 /nfs/dbraw/zinc/99/33/03/395993303.db2.gz ODHNZCGUGLKSRQ-LBPRGKRZSA-N 0 0 309.389 0.719 50 0 DCAARN O=C1C[C@H]2CC[C@@H](CN1)N2Cc1cnc(N2CCOCC2)nc1 ZINC000065404677 395993486 /nfs/dbraw/zinc/99/34/86/395993486.db2.gz HWOSGPFPEWKWFR-KGLIPLIRSA-N 0 0 317.393 0.166 50 0 DCAARN Nc1cc(=O)[nH]c(CCNc2cc(N3CCCCC3)ncn2)n1 ZINC000065493042 395993881 /nfs/dbraw/zinc/99/38/81/395993881.db2.gz RUSYLSOJOBAFPF-UHFFFAOYSA-N 0 0 315.381 0.787 50 0 DCAARN O=C1NCCN2CCN(c3cc(N4CCCCC4)ncn3)C[C@@H]12 ZINC000065452291 395994046 /nfs/dbraw/zinc/99/40/46/395994046.db2.gz LORWRWLSBNDPJM-ZDUSSCGKSA-N 0 0 316.409 0.087 50 0 DCAARN CCCNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000065625956 395995845 /nfs/dbraw/zinc/99/58/45/395995845.db2.gz MQJFOADGAGHCAS-UHFFFAOYSA-N 0 0 320.397 0.225 50 0 DCAARN CN(C)c1ncccc1O[C@@H]1CCN(S(=O)(=O)N(C)C)C1 ZINC000252509079 396022249 /nfs/dbraw/zinc/02/22/49/396022249.db2.gz YCCOAFVIDOUDKW-LLVKDONJSA-N 0 0 314.411 0.407 50 0 DCAARN Cc1cnn(-c2cc(N3Cc4cnn(CCO)c4C3)ncn2)c1 ZINC000067490838 396027004 /nfs/dbraw/zinc/02/70/04/396027004.db2.gz ZRYRNVPBTOGFJN-UHFFFAOYSA-N 0 0 311.349 0.680 50 0 DCAARN CC(C)(C)OC(=O)CC[S@@](=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000253431055 396028759 /nfs/dbraw/zinc/02/87/59/396028759.db2.gz NRSZWGCBHRSJAI-XTZNXHDOSA-N 0 0 310.437 0.902 50 0 DCAARN CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@H](O)C(F)F)c1 ZINC000253429181 396028779 /nfs/dbraw/zinc/02/87/79/396028779.db2.gz PVBFRSKMKIINMR-JTQLQIEISA-N 0 0 322.333 0.293 50 0 DCAARN CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)CS(=O)(=O)CC ZINC000253490439 396029302 /nfs/dbraw/zinc/02/93/02/396029302.db2.gz IRUZDODHHQGWPC-CHWSQXEVSA-N 0 0 302.440 0.896 50 0 DCAARN Cn1cc(N2CCC[C@@H](NC(=O)CN3CSCC3=O)C2)cn1 ZINC000154038528 396029783 /nfs/dbraw/zinc/02/97/83/396029783.db2.gz SNQHYOYJMRDFJS-LLVKDONJSA-N 0 0 323.422 0.038 50 0 DCAARN Nc1nc(=O)cc(N2CCN(Cc3cc(C4CC4)on3)CC2)[nH]1 ZINC000253537276 396030578 /nfs/dbraw/zinc/03/05/78/396030578.db2.gz ISTUHXYUEJOBHD-UHFFFAOYSA-N 0 0 316.365 0.952 50 0 DCAARN COC[C@H](NC(=O)c1cc(Cl)c[nH]c1=O)c1ccnn1C ZINC000067673907 396031043 /nfs/dbraw/zinc/03/10/43/396031043.db2.gz KUYCFIWHQRQJIV-JTQLQIEISA-N 0 0 310.741 0.879 50 0 DCAARN COc1ccccc1C=c1sc2nc(=O)c(C)nn2c1=O ZINC000254757011 396032245 /nfs/dbraw/zinc/03/22/45/396032245.db2.gz SCGGICLUAGMESN-UHFFFAOYSA-N 0 0 301.327 0.376 50 0 DCAARN CCCn1[nH]ccc1=NC(=O)CN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000254498568 396032372 /nfs/dbraw/zinc/03/23/72/396032372.db2.gz DCGKJTGVDCTDSW-ZIAGYGMSSA-N 0 0 323.441 0.040 50 0 DCAARN Cc1cnc(C(=O)NC[C@]2(N3CCOCC3)CCOC2)cn1 ZINC000257183938 396034213 /nfs/dbraw/zinc/03/42/13/396034213.db2.gz IAQAPCRSVGOZHB-OAHLLOKOSA-N 0 0 306.366 0.006 50 0 DCAARN Cn1cc(C(=O)NC2CCN(C(=O)c3cc[nH]c3)CC2)cn1 ZINC000068283689 396051637 /nfs/dbraw/zinc/05/16/37/396051637.db2.gz QGWSYAWBVIHPAN-UHFFFAOYSA-N 0 0 301.350 0.783 50 0 DCAARN NC(=O)[C@@H](CNC(=O)c1cccc[n+]1[O-])Cc1ccc(F)cc1 ZINC000068440138 396055952 /nfs/dbraw/zinc/05/59/52/396055952.db2.gz HTJJSUVIGWDICW-GFCCVEGCSA-N 0 0 317.320 0.533 50 0 DCAARN CCN1CCO[C@H](CN2CCC[C@H]2C(=O)NCC(F)(F)F)C1 ZINC000249694994 396011324 /nfs/dbraw/zinc/01/13/24/396011324.db2.gz QCCPKTMJYDMQIR-RYUDHWBXSA-N 0 0 323.359 0.850 50 0 DCAARN O=C(CN1CSCC1=O)NC[C@]1(O)CCCc2ccccc21 ZINC000066931553 396018250 /nfs/dbraw/zinc/01/82/50/396018250.db2.gz AZGJEGWBXPGSIH-MRXNPFEDSA-N 0 0 320.414 0.860 50 0 DCAARN CC[C@H](NC(=O)N1CC[C@H](S(C)(=O)=O)C1)[C@@H]1CCCO1 ZINC000252484492 396020783 /nfs/dbraw/zinc/02/07/83/396020783.db2.gz FXPRTJCARURRPN-SRVKXCTJSA-N 0 0 304.412 0.773 50 0 DCAARN C[C@H](NC(=O)N(C)CCn1cccn1)c1nnnn1C1CC1 ZINC000252495431 396021900 /nfs/dbraw/zinc/02/19/00/396021900.db2.gz OQEQYBZLGXZITC-JTQLQIEISA-N 0 0 304.358 0.607 50 0 DCAARN Cc1noc([C@@H](C)N2CCN(C[C@H](O)Cn3cccn3)CC2)n1 ZINC000069697289 396087224 /nfs/dbraw/zinc/08/72/24/396087224.db2.gz VZCLZHRWAZZPIE-OCCSQVGLSA-N 0 0 320.397 0.314 50 0 DCAARN COC(=O)c1ccc(N2CCN(Cc3cccnc3)CC2)nn1 ZINC000069774977 396090377 /nfs/dbraw/zinc/09/03/77/396090377.db2.gz ONZOLTUWQXGXIW-UHFFFAOYSA-N 0 0 313.361 0.980 50 0 DCAARN O=C(c1cnccn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000069775606 396090441 /nfs/dbraw/zinc/09/04/41/396090441.db2.gz MIYXEZXXYWIHRE-MRXNPFEDSA-N 0 0 312.373 0.968 50 0 DCAARN CC(C)n1c(S[C@H](C)C(=O)NC(N)=O)nnc1N(C)C ZINC000069778103 396090487 /nfs/dbraw/zinc/09/04/87/396090487.db2.gz LRMKXFDSTQWQGP-SSDOTTSWSA-N 0 0 300.388 0.601 50 0 DCAARN O[C@@H](CN1CCN(c2ccc3nncn3n2)CC1)c1ccccc1 ZINC000069814836 396090723 /nfs/dbraw/zinc/09/07/23/396090723.db2.gz NGPRODABSJMFNR-HNNXBMFYSA-N 0 0 324.388 0.980 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CC[C@H](c3noc(C4CC4)n3)C2)c1 ZINC000169772034 396091040 /nfs/dbraw/zinc/09/10/40/396091040.db2.gz IHRDCPDVWZAUAR-JTQLQIEISA-N 0 0 323.378 0.859 50 0 DCAARN COCCn1ncc(N2CCC(NC(=O)C(C)C)CC2)cc1=O ZINC000169762428 396091046 /nfs/dbraw/zinc/09/10/46/396091046.db2.gz PQXYYZZMDTYRKA-UHFFFAOYSA-N 0 0 322.409 0.631 50 0 DCAARN O=C(N[C@@H]1CCc2n[nH]c(=O)n2CC1)c1ccc2[nH]cnc2c1 ZINC000169783346 396091878 /nfs/dbraw/zinc/09/18/78/396091878.db2.gz BYTWVIFOPLALEN-SNVBAGLBSA-N 0 0 312.333 0.583 50 0 DCAARN c1ncn(C[C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000069842324 396092250 /nfs/dbraw/zinc/09/22/50/396092250.db2.gz SAJPTOICXRWSMT-AWEZNQCLSA-N 0 0 316.361 0.950 50 0 DCAARN Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@@H]1Cn1cncn1 ZINC000069871353 396092983 /nfs/dbraw/zinc/09/29/83/396092983.db2.gz OJULUFOURULSEC-GFCCVEGCSA-N 0 0 303.370 0.721 50 0 DCAARN CN(C)C(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1 ZINC000169790142 396093458 /nfs/dbraw/zinc/09/34/58/396093458.db2.gz HFEDPKZSPGQQKP-UHFFFAOYSA-N 0 0 315.377 0.633 50 0 DCAARN Cn1nccc1C(=O)N1CC(c2noc([C@@H]3CCCN3C)n2)C1 ZINC000169789129 396093545 /nfs/dbraw/zinc/09/35/45/396093545.db2.gz ICICIYCLVOLYLF-NSHDSACASA-N 0 0 316.365 0.809 50 0 DCAARN CCN(CC)S(=O)(=O)CCNC(=O)c1cc(C2CC2)n[nH]1 ZINC000069879153 396093575 /nfs/dbraw/zinc/09/35/75/396093575.db2.gz NSRUKUTUWSDUKO-UHFFFAOYSA-N 0 0 314.411 0.689 50 0 DCAARN CCOc1ccc(C(=O)N2CCCN(CCOC)C(=O)C2)cn1 ZINC000170605353 396095308 /nfs/dbraw/zinc/09/53/08/396095308.db2.gz GXOMJVPLZUIGJP-UHFFFAOYSA-N 0 0 321.377 0.801 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000170619450 396095850 /nfs/dbraw/zinc/09/58/50/396095850.db2.gz IQXZVTBEMKICTR-OCCSQVGLSA-N 0 0 315.377 0.667 50 0 DCAARN Cc1ccccc1[C@H](NC(=O)NC(C(N)=O)C(N)=O)C(C)C ZINC000069960983 396096101 /nfs/dbraw/zinc/09/61/01/396096101.db2.gz LTMPVCWAKNNNNU-LLVKDONJSA-N 0 0 306.366 0.331 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)Cn2nnc3ccccc32)CC1 ZINC000069950006 396096462 /nfs/dbraw/zinc/09/64/62/396096462.db2.gz OWGLSSKKCQTUAH-CYBMUJFWSA-N 0 0 317.393 0.346 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)N[C@@H](C)C2)cc1 ZINC000070076742 396099554 /nfs/dbraw/zinc/09/95/54/396099554.db2.gz RBLGUFOCTZKCGE-QWRGUYRKSA-N 0 0 311.407 0.417 50 0 DCAARN COc1ccccc1CCNC(=O)c1c[nH]c(=O)n(C)c1=O ZINC000070634678 396102861 /nfs/dbraw/zinc/10/28/61/396102861.db2.gz NEVCFELKGQUWPL-UHFFFAOYSA-N 0 0 303.318 0.055 50 0 DCAARN CS(=O)(=O)N1CC(C(=O)NCc2ccccc2Cl)C1 ZINC000070817272 396105206 /nfs/dbraw/zinc/10/52/06/396105206.db2.gz HSJXJJWHQRORNK-UHFFFAOYSA-N 0 0 302.783 0.848 50 0 DCAARN CS(=O)(=O)N1CCC(CNC(=O)c2cscn2)CC1 ZINC000171168360 396109169 /nfs/dbraw/zinc/10/91/69/396109169.db2.gz FGHWNKXIDGSAQJ-UHFFFAOYSA-N 0 0 303.409 0.545 50 0 DCAARN CN(C[C@H](O)CO)C(=O)c1cc(COc2ccccc2F)[nH]n1 ZINC000071575667 396114541 /nfs/dbraw/zinc/11/45/41/396114541.db2.gz NWPGQGGOFYRDDT-NSHDSACASA-N 0 0 323.324 0.553 50 0 DCAARN COCc1nc(CNS(=O)(=O)NCc2ccccc2)no1 ZINC000071479715 396114736 /nfs/dbraw/zinc/11/47/36/396114736.db2.gz WHWVUERZERQANZ-UHFFFAOYSA-N 0 0 312.351 0.340 50 0 DCAARN NC(=O)C(NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1)C(N)=O ZINC000071804014 396115211 /nfs/dbraw/zinc/11/52/11/396115211.db2.gz KYSQXIXASOMUES-LLVKDONJSA-N 0 0 322.340 0.305 50 0 DCAARN NC(=O)C1(CNC(=O)c2cn3ccccc3n2)CCOCC1 ZINC000071820869 396116032 /nfs/dbraw/zinc/11/60/32/396116032.db2.gz VOZNGGKTSJLQAD-UHFFFAOYSA-N 0 0 302.334 0.346 50 0 DCAARN Cc1cccc([C@@H]2C[C@H]2[C@@H](C)NC(=O)NC(C(N)=O)C(N)=O)c1 ZINC000071828093 396116707 /nfs/dbraw/zinc/11/67/07/396116707.db2.gz GBEBFFXJHBVCIL-USWWRNFRSA-N 0 0 318.377 0.125 50 0 DCAARN Cc1noc(CCCC(=O)N2CCC[C@@H](N3CCNC3=O)C2)n1 ZINC000071841693 396118603 /nfs/dbraw/zinc/11/86/03/396118603.db2.gz VJVGJCUGYXMJQQ-GFCCVEGCSA-N 0 0 321.381 0.717 50 0 DCAARN Cc1cnn(C[C@@H]2CCCN2C(=O)[C@H]2CCCN(C(N)=O)C2)c1 ZINC000071866864 396119437 /nfs/dbraw/zinc/11/94/37/396119437.db2.gz BWUPKFSIMPKOBS-KBPBESRZSA-N 0 0 319.409 0.973 50 0 DCAARN CCc1nnc2n1CCN(C(=O)c1ccccc1-n1cnnn1)C2 ZINC000071864842 396119507 /nfs/dbraw/zinc/11/95/07/396119507.db2.gz IZMWFRXLVONJFL-UHFFFAOYSA-N 0 0 324.348 0.472 50 0 DCAARN CC(C)Cc1nc(CN2CCO[C@H](Cn3cncn3)C2)no1 ZINC000071876572 396121420 /nfs/dbraw/zinc/12/14/20/396121420.db2.gz WCYDUPRRNRGJHE-LBPRGKRZSA-N 0 0 306.370 0.761 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000071880131 396122176 /nfs/dbraw/zinc/12/21/76/396122176.db2.gz GJAPKKDWBRQDGD-NSHDSACASA-N 0 0 313.423 0.283 50 0 DCAARN O=C([C@@H]1COCCO1)N(CCN1CCOCC1)c1ccccc1 ZINC000072069147 396126834 /nfs/dbraw/zinc/12/68/34/396126834.db2.gz VAROMFQOBIWHMN-INIZCTEOSA-N 0 0 320.389 0.767 50 0 DCAARN O=C(CCn1ccccc1=O)N1CCC[C@H](n2cncn2)C1 ZINC000072234847 396127270 /nfs/dbraw/zinc/12/72/70/396127270.db2.gz GLMOJQMIRABZOW-ZDUSSCGKSA-N 0 0 301.350 0.694 50 0 DCAARN Cc1nc(C)n([C@H]2CCCN(C(=O)C3=NNC(=O)CC3)C2)n1 ZINC000072235199 396127297 /nfs/dbraw/zinc/12/72/97/396127297.db2.gz OOVMOGFPRHIQBN-NSHDSACASA-N 0 0 304.354 0.324 50 0 DCAARN CN1C(=O)CO[C@@H](C(=O)N2CCOCC2)[C@@H]1c1cccc(F)c1 ZINC000072241697 396127350 /nfs/dbraw/zinc/12/73/50/396127350.db2.gz LZZIJJSRWFKBKG-LSDHHAIUSA-N 0 0 322.336 0.583 50 0 DCAARN CC(=O)N[C@](C)(C(=O)N[C@H]1CCc2nc(C)cn2C1)C1CC1 ZINC000072254881 396128196 /nfs/dbraw/zinc/12/81/96/396128196.db2.gz ZNEWOCDCWBLWAK-BBRMVZONSA-N 0 0 304.394 0.927 50 0 DCAARN C[C@H](Nc1nccn2nnnc12)c1cccc(S(N)(=O)=O)c1 ZINC000072311013 396130598 /nfs/dbraw/zinc/13/05/98/396130598.db2.gz MRNQKNDHZVLUFJ-QMMMGPOBSA-N 0 0 319.350 0.340 50 0 DCAARN O=C1CNC(=O)N1CCN1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000072299885 396130752 /nfs/dbraw/zinc/13/07/52/396130752.db2.gz YYXHPDOSYDEUHP-NSHDSACASA-N 0 0 319.365 0.678 50 0 DCAARN CCc1noc([C@H](C)N2CCC[C@H](CNS(N)(=O)=O)C2)n1 ZINC000069369041 396076015 /nfs/dbraw/zinc/07/60/15/396076015.db2.gz FGKKNWSUNYYHAX-VHSXEESVSA-N 0 0 317.415 0.198 50 0 DCAARN C[C@@H](C(=O)Nc1ncccn1)N1CCO[C@H](Cn2cccn2)C1 ZINC000069372460 396076400 /nfs/dbraw/zinc/07/64/00/396076400.db2.gz NOPCWEPEZSOWQO-STQMWFEESA-N 0 0 316.365 0.401 50 0 DCAARN Cn1c(COC(=O)c2ccc(Cl)nc2N)cc(=O)n(C)c1=O ZINC000069387989 396077116 /nfs/dbraw/zinc/07/71/16/396077116.db2.gz CMPYFLXUHVEGGP-UHFFFAOYSA-N 0 0 324.724 0.072 50 0 DCAARN CCc1cc(N[C@@H](C)C(=O)N2CCOCC2)n2ncnc2n1 ZINC000069421115 396077825 /nfs/dbraw/zinc/07/78/25/396077825.db2.gz JZZVRLBMFVCSPK-JTQLQIEISA-N 0 0 304.354 0.346 50 0 DCAARN COC[C@@]1(C)NC(=O)N(C[C@@H](O)COc2cccc(C)c2)C1=O ZINC000069418770 396078124 /nfs/dbraw/zinc/07/81/24/396078124.db2.gz HKQHITDFCLXJOJ-MLGOLLRUSA-N 0 0 322.361 0.692 50 0 DCAARN CCn1ccnc1CN1CCN(Cc2nnnn2C2CC2)CC1 ZINC000069432047 396078308 /nfs/dbraw/zinc/07/83/08/396078308.db2.gz YSOFWIFYSHFEAL-UHFFFAOYSA-N 0 0 316.413 0.542 50 0 DCAARN O=C(CCn1cncn1)NCCOc1ccc2c(c1)OCO2 ZINC000069442041 396078689 /nfs/dbraw/zinc/07/86/89/396078689.db2.gz MQOLDSCRQMOPIS-UHFFFAOYSA-N 0 0 304.306 0.592 50 0 DCAARN C[C@H]1CN(Cc2nccn2C)CCN1c1ccc2nncn2n1 ZINC000069459218 396079693 /nfs/dbraw/zinc/07/96/93/396079693.db2.gz QKSMQGYRYIUDIZ-LBPRGKRZSA-N 0 0 312.381 0.569 50 0 DCAARN O=C(Cn1c(=O)onc1-c1cnccn1)N1CCc2ccccc21 ZINC000069461012 396079708 /nfs/dbraw/zinc/07/97/08/396079708.db2.gz JSSYZUCUZCVSNY-UHFFFAOYSA-N 0 0 323.312 0.883 50 0 DCAARN NS(=O)(=O)CCNC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000069521527 396081825 /nfs/dbraw/zinc/08/18/25/396081825.db2.gz PJXSAJAJQARVIZ-UHFFFAOYSA-N 0 0 311.338 0.635 50 0 DCAARN CCOc1ccnc(N2CCN(C(=O)c3cc[nH]n3)CC2)n1 ZINC000069598932 396084665 /nfs/dbraw/zinc/08/46/65/396084665.db2.gz FESWLACGNQIMFU-UHFFFAOYSA-N 0 0 302.338 0.561 50 0 DCAARN NC(=O)NC(=O)CCNC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000176774361 396160687 /nfs/dbraw/zinc/16/06/87/396160687.db2.gz MTOIZMFEFXCMQE-MLGOLLRUSA-N 0 0 301.346 0.592 50 0 DCAARN CCCc1nnc([C@@H]2CN(C(=O)Cc3cnn(C)c3)CCO2)[nH]1 ZINC000076045870 396192863 /nfs/dbraw/zinc/19/28/63/396192863.db2.gz VZQKFLDXVYUNHD-LBPRGKRZSA-N 0 0 318.381 0.633 50 0 DCAARN CCc1noc(CN2CCC[C@@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)n1 ZINC000076058747 396194823 /nfs/dbraw/zinc/19/48/23/396194823.db2.gz DKSFSXHWJAYWIM-MEBBXXQBSA-N 0 0 321.381 0.784 50 0 DCAARN Cc1noc(COCC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000076054091 396194991 /nfs/dbraw/zinc/19/49/91/396194991.db2.gz HRAIEBCSZLJICE-DGCLKSJQSA-N 0 0 324.381 0.074 50 0 DCAARN Cn1cc([C@](C)(O)CNS(=O)(=O)CCc2ccccc2)cn1 ZINC000076062191 396195900 /nfs/dbraw/zinc/19/59/00/396195900.db2.gz QFJHGPXYGMEGFN-OAHLLOKOSA-N 0 0 323.418 0.790 50 0 DCAARN NS(=O)(=O)c1ccc(F)c(C(=O)NC2CCOCC2)c1 ZINC000078642517 396251003 /nfs/dbraw/zinc/25/10/03/396251003.db2.gz GBTUNSNYJFOJQC-UHFFFAOYSA-N 0 0 302.327 0.382 50 0 DCAARN Cn1cc([C@H]2[C@H](C(=O)OCC(=O)C3CC3)CCC(=O)N2C)cn1 ZINC000078813941 396254815 /nfs/dbraw/zinc/25/48/15/396254815.db2.gz HNRGEOIFTNXETC-DOMZBBRYSA-N 0 0 319.361 0.852 50 0 DCAARN COc1ccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC000078789490 396254826 /nfs/dbraw/zinc/25/48/26/396254826.db2.gz DKKCRAVFAZQSIE-KGLIPLIRSA-N 0 0 305.378 0.761 50 0 DCAARN Cc1ccc(C)c(CC(=O)NC[C@H](O)CN2CCCC2=O)c1 ZINC000078995031 396259306 /nfs/dbraw/zinc/25/93/06/396259306.db2.gz OGDWSRHAOWDQJD-HNNXBMFYSA-N 0 0 304.390 0.945 50 0 DCAARN CCCc1noc(CCCC(=O)N2CCO[C@H](C(=O)NC)C2)n1 ZINC000183563778 396270904 /nfs/dbraw/zinc/27/09/04/396270904.db2.gz NWJIXUNIHLIFRK-NSHDSACASA-N 0 0 324.381 0.318 50 0 DCAARN Cc1ccc(-c2nnc(CN3CCOC[C@@H](CO)C3)o2)n1C ZINC000077470696 396222879 /nfs/dbraw/zinc/22/28/79/396222879.db2.gz WJOMJEYXEHVGGF-GFCCVEGCSA-N 0 0 306.366 0.824 50 0 DCAARN C[C@@H]1CCN(Cc2cc(C(N)=O)cs2)CCS1(=O)=O ZINC000192046862 396429516 /nfs/dbraw/zinc/42/95/16/396429516.db2.gz UAAWYPYQKVPHCE-SECBINFHSA-N 0 0 302.421 0.856 50 0 DCAARN C[C@H](CN1CCCC1=O)NC(=O)[C@@H]1COCCN1C1CCCC1 ZINC000192190484 396430144 /nfs/dbraw/zinc/43/01/44/396430144.db2.gz XZXFZZPDFXFUHJ-HIFRSBDPSA-N 0 0 323.437 0.757 50 0 DCAARN COCCN1C[C@H](CNC(=O)c2cnc(C3CC3)nc2)CC1=O ZINC000584884279 396631381 /nfs/dbraw/zinc/63/13/81/396631381.db2.gz ZNABICFINKBUNK-NSHDSACASA-N 0 0 318.377 0.579 50 0 DCAARN COCCN(C)CC(=O)N1CCC[C@H](CN2CCCC2=O)C1 ZINC000584889573 396633222 /nfs/dbraw/zinc/63/32/22/396633222.db2.gz YSTKSNYMKHRPRB-CQSZACIVSA-N 0 0 311.426 0.426 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC(c2nnc[nH]2)CC1 ZINC000584888996 396633267 /nfs/dbraw/zinc/63/32/67/396633267.db2.gz SZNBTDWAIACARQ-UHFFFAOYSA-N 0 0 318.337 0.263 50 0 DCAARN O=C(NCc1cc(C2CC2)n[nH]1)[C@H]1CCCCn2nnnc21 ZINC000584892948 396634169 /nfs/dbraw/zinc/63/41/69/396634169.db2.gz WPIQGOJQCNKPEI-NSHDSACASA-N 0 0 301.354 0.858 50 0 DCAARN CC(C)(C)N1C[C@@H](Cn2cnc3nccnc3c2=O)CC1=O ZINC000584894882 396634869 /nfs/dbraw/zinc/63/48/69/396634869.db2.gz IMOGVJLLZHLRLB-SNVBAGLBSA-N 0 0 301.350 0.834 50 0 DCAARN Cc1ncn(C)c1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000584895929 396635043 /nfs/dbraw/zinc/63/50/43/396635043.db2.gz RSAPBGTVZONHLJ-CYBMUJFWSA-N 0 0 320.393 0.440 50 0 DCAARN CO[C@@H]1CS(=O)(=O)C[C@H]1n1cnc2c(F)cccc2c1=O ZINC000584897993 396635430 /nfs/dbraw/zinc/63/54/30/396635430.db2.gz PXIQVFVPJFTJSU-GHMZBOCLSA-N 0 0 312.322 0.520 50 0 DCAARN O=C(NCc1ccc2ccccc2n1)[C@H]1CCC(=O)NC(=O)N1 ZINC000584900321 396636456 /nfs/dbraw/zinc/63/64/56/396636456.db2.gz COMQAXHOROOQMP-CYBMUJFWSA-N 0 0 312.329 0.839 50 0 DCAARN O=C(CN1CCN2C(=O)OC[C@H]2C1)N1CCc2ccccc21 ZINC000374559147 396672389 /nfs/dbraw/zinc/67/23/89/396672389.db2.gz MAJRCTPODSQAMC-CYBMUJFWSA-N 0 0 301.346 0.712 50 0 DCAARN O[C@@H]1COC[C@H]1Nc1ncccc1I ZINC000296065685 396703756 /nfs/dbraw/zinc/70/37/56/396703756.db2.gz ROPFAAZSRMRORO-HTQZYQBOSA-N 0 0 306.103 0.858 50 0 DCAARN CC[C@H](C)N(CCO)S(=O)(=O)c1cc(C(=O)NC)n(C)c1 ZINC000314505125 396782856 /nfs/dbraw/zinc/78/28/56/396782856.db2.gz SGUFWXCLPQXVAI-JTQLQIEISA-N 0 0 317.411 0.166 50 0 DCAARN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCn1ccnn1 ZINC000347172275 397027543 /nfs/dbraw/zinc/02/75/43/397027543.db2.gz SLXLPZNGUZPSTC-HZSPNIEDSA-N 0 0 308.382 0.711 50 0 DCAARN Cc1cc(C(=O)N2CCn3c(nn(CC(F)F)c3=O)C2)no1 ZINC000364075927 397180706 /nfs/dbraw/zinc/18/07/06/397180706.db2.gz UNYZPVKMRHMTME-UHFFFAOYSA-N 0 0 313.264 0.262 50 0 DCAARN O=C(c1cnn2c1CCC2)N1CCC(C2N=NC(=O)O2)CC1 ZINC000574195964 397244682 /nfs/dbraw/zinc/24/46/82/397244682.db2.gz LDHGBKFBMPQTET-UHFFFAOYSA-N 0 0 303.322 0.938 50 0 DCAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCO)C=C2 ZINC000604404776 397639684 /nfs/dbraw/zinc/63/96/84/397639684.db2.gz KRWAYAGJPJWJMJ-UHFFFAOYSA-N 0 0 320.345 0.168 50 0 biogenic DCAARN CC(=O)N[C@@H](CC(C)C)C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC000606442499 397681070 /nfs/dbraw/zinc/68/10/70/397681070.db2.gz ZSBVALVOPVOTKH-ZDUSSCGKSA-N 0 0 303.366 0.831 50 0 DCAARN Cc1ccc([C@@H](C(=O)N2CCC(O)(CO)CC2)N(C)C)cc1 ZINC000222343654 292190111 /nfs/dbraw/zinc/19/01/11/292190111.db2.gz NDKGKEDYVKREBP-HNNXBMFYSA-N 0 0 306.406 0.944 50 0 DCAARN CCO[C@H]1C[C@H](N(C)C(=O)CN2CCOCC2=O)C12CCC2 ZINC000328588057 286510891 /nfs/dbraw/zinc/51/08/91/286510891.db2.gz NZHIAZWQXASYOX-STQMWFEESA-N 0 0 310.394 0.651 50 0 DCAARN Cn1ncnc1[C@H]1COCCN1C(=O)Cc1cccc(O)c1 ZINC000329133476 159065584 /nfs/dbraw/zinc/06/55/84/159065584.db2.gz ZAPJVBXWTVYPTQ-CYBMUJFWSA-N 0 0 302.334 0.663 50 0 DCAARN CNC(=O)[C@@H]1CCCCN1C(=O)c1csc(NC(C)=O)n1 ZINC000025301632 415161904 /nfs/dbraw/zinc/16/19/04/415161904.db2.gz NIDXQTLMWVDCGX-JTQLQIEISA-N 0 0 310.379 0.842 50 0 DCAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2NCCNC2=O)cc1 ZINC000000081666 415125724 /nfs/dbraw/zinc/12/57/24/415125724.db2.gz DYCSYFGMOVSWAT-LBPRGKRZSA-N 0 0 305.334 0.280 50 0 DCAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nn[nH]n2)cc1 ZINC000006173300 415134563 /nfs/dbraw/zinc/13/45/63/415134563.db2.gz PAUGBWZIUMBHRR-UHFFFAOYSA-N 0 0 324.366 0.483 50 0 DCAARN Cn1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1=O ZINC000006784702 415134860 /nfs/dbraw/zinc/13/48/60/415134860.db2.gz RRVWFVWFWLGFPF-UHFFFAOYSA-N 0 0 316.336 0.882 50 0 DCAARN COc1ccc(F)cc1Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000006972429 415138420 /nfs/dbraw/zinc/13/84/20/415138420.db2.gz VNAFFUKPIRXBDG-UHFFFAOYSA-N 0 0 318.308 0.630 50 0 DCAARN CCOC(=O)c1c(C)oc2ncn(CC(=O)N(C)C)c(=O)c21 ZINC000007553440 415139564 /nfs/dbraw/zinc/13/95/64/415139564.db2.gz BSKCIIJCHFCMGM-UHFFFAOYSA-N 0 0 307.306 0.563 50 0 DCAARN CCOCC(=O)Nc1cc(C)nn1-c1nc(CC)cc(=O)[nH]1 ZINC000007419417 415140279 /nfs/dbraw/zinc/14/02/79/415140279.db2.gz FWRSCCCHRKHYAS-UHFFFAOYSA-N 0 0 305.338 0.801 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000011332220 415149541 /nfs/dbraw/zinc/14/95/41/415149541.db2.gz YZWBKKDGCMIOAW-LBPRGKRZSA-N 0 0 320.324 0.072 50 0 DCAARN C[C@@H](Nc1cccc(OCC(N)=O)c1)C(=O)N1CCOCC1 ZINC000028354364 415178132 /nfs/dbraw/zinc/17/81/32/415178132.db2.gz MFORNTMHELEOFX-LLVKDONJSA-N 0 0 307.350 0.210 50 0 DCAARN CCOC(=O)[C@H]1CCCN([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000027343701 415169666 /nfs/dbraw/zinc/16/96/66/415169666.db2.gz OVLZEPUSHKAOKO-QWRGUYRKSA-N 0 0 322.413 0.856 50 0 DCAARN COCCN(CCOC)C(=O)COC(=O)c1cccc(C)c1N ZINC000026409617 415170020 /nfs/dbraw/zinc/17/00/20/415170020.db2.gz WZWISIKBHTZVEG-UHFFFAOYSA-N 0 0 324.377 0.855 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)o1 ZINC000027907432 415173205 /nfs/dbraw/zinc/17/32/05/415173205.db2.gz IPUYFUNCGLMOER-BDAKNGLRSA-N 0 0 302.352 0.485 50 0 DCAARN CN(Cc1cccnc1)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000044364869 415219311 /nfs/dbraw/zinc/21/93/11/415219311.db2.gz HTYQHAOSYAIZGU-CYBMUJFWSA-N 0 0 311.407 0.712 50 0 DCAARN C[C@H](Cc1ccccc1Cl)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000044939084 415235142 /nfs/dbraw/zinc/23/51/42/415235142.db2.gz ZZSVJRKWQQLAHB-SNVBAGLBSA-N 0 0 321.764 0.937 50 0 DCAARN CNC(=O)CCS(=O)(=O)Cc1nc2ccccc2nc1C ZINC000044938241 415236519 /nfs/dbraw/zinc/23/65/19/415236519.db2.gz MBSRFJVGTIIZNI-UHFFFAOYSA-N 0 0 307.375 0.989 50 0 DCAARN CC(=O)N1CCN(C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000044966733 415238415 /nfs/dbraw/zinc/23/84/15/415238415.db2.gz YNNVQSOHHUPUOY-UHFFFAOYSA-N 0 0 319.361 0.832 50 0 DCAARN Cc1ccc([C@H](C)NC(=O)CN2CCS(=O)(=O)CC2)o1 ZINC000044967012 415240208 /nfs/dbraw/zinc/24/02/08/415240208.db2.gz MBEOOOOHUIWQCT-NSHDSACASA-N 0 0 300.380 0.496 50 0 DCAARN O=C(NCc1ccc(-n2cncn2)nc1)N1CCSCC1 ZINC000044968716 415240755 /nfs/dbraw/zinc/24/07/55/415240755.db2.gz WQFUZFPEBQQXHI-UHFFFAOYSA-N 0 0 304.379 0.921 50 0 DCAARN O=C(CCc1ccncc1)N1CCC2(CC1)NC(=O)NC2=O ZINC000045037539 415243486 /nfs/dbraw/zinc/24/34/86/415243486.db2.gz ALTCQGBQBRWVBC-UHFFFAOYSA-N 0 0 302.334 0.215 50 0 DCAARN O=C(NCCN1CCCCC1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000045208623 415244843 /nfs/dbraw/zinc/24/48/43/415244843.db2.gz POENRVBNQIKKKN-LBPRGKRZSA-N 0 0 303.428 0.206 50 0 DCAARN Cc1ccc([C@@]2(C)CC(=O)N(CCC(=O)NC(N)=O)C2=O)cc1 ZINC000270454985 415258916 /nfs/dbraw/zinc/25/89/16/415258916.db2.gz VRTBZIVUCPHYAG-MRXNPFEDSA-N 0 0 317.345 0.597 50 0 DCAARN COC[C@H](C)NC(=O)COc1cccc(S(C)(=O)=O)c1 ZINC000047364670 415270311 /nfs/dbraw/zinc/27/03/11/415270311.db2.gz XSVZRVXHWYIJMP-JTQLQIEISA-N 0 0 301.364 0.620 50 0 DCAARN COCCN1C[C@H](C(=O)NCc2ccnc(N(C)C)c2)CC1=O ZINC000047539782 415272808 /nfs/dbraw/zinc/27/28/08/415272808.db2.gz JDTWVFVFQZIPSP-CYBMUJFWSA-N 0 0 320.393 0.259 50 0 DCAARN CCc1nc(NC(=O)Cn2ccc(=O)n(C)c2=O)sc1C ZINC000044702137 415225744 /nfs/dbraw/zinc/22/57/44/415225744.db2.gz NSVVZUHFUBLRNN-UHFFFAOYSA-N 0 0 308.363 0.513 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cccnc1N1CCCC1 ZINC000044721660 415226846 /nfs/dbraw/zinc/22/68/46/415226846.db2.gz XBDZIVPJFQDTEI-LBPRGKRZSA-N 0 0 323.418 0.846 50 0 DCAARN CN(Cc1nnc2n1CCC2)C(=O)CCN1CCSC1=O ZINC000048234355 415287148 /nfs/dbraw/zinc/28/71/48/415287148.db2.gz ZTXXJEVGHLNIPW-UHFFFAOYSA-N 0 0 309.395 0.742 50 0 DCAARN C[C@H](NC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)C(N)=O ZINC000048235270 415288646 /nfs/dbraw/zinc/28/86/46/415288646.db2.gz FWWNKJHHOXWTPQ-JSGCOSHPSA-N 0 0 320.393 0.060 50 0 DCAARN C[C@H](NC(=O)C1=NNC(=O)CC1)c1nnc2n1CCCCC2 ZINC000048355941 415290476 /nfs/dbraw/zinc/29/04/76/415290476.db2.gz TWGOWQJJFIIQGV-VIFPVBQESA-N 0 0 304.354 0.448 50 0 DCAARN O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CCC(=O)NC1 ZINC000048757452 415294669 /nfs/dbraw/zinc/29/46/69/415294669.db2.gz ZOSFBBCIXGNOAM-CYBMUJFWSA-N 0 0 318.377 0.061 50 0 DCAARN C[C@@H](C(=O)NCc1ccc(-n2cccn2)cc1)S(C)(=O)=O ZINC000049744610 415309438 /nfs/dbraw/zinc/30/94/38/415309438.db2.gz PMSRHQDZXJYJDC-NSHDSACASA-N 0 0 307.375 0.922 50 0 DCAARN CNc1nc(C)c(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000049664499 415310328 /nfs/dbraw/zinc/31/03/28/415310328.db2.gz DGIDALGITYIAFL-MRVPVSSYSA-N 0 0 303.409 0.752 50 0 DCAARN O=C(CN1C(=O)NC2(CCOCC2)C1=O)Nc1ccccc1 ZINC000068639324 415395030 /nfs/dbraw/zinc/39/50/30/415395030.db2.gz QRUYDUZXMHOHSS-UHFFFAOYSA-N 0 0 303.318 0.726 50 0 DCAARN CN(C)c1nc(N)nc(CN2CCN(C)c3ccccc3C2)n1 ZINC000069089150 415400710 /nfs/dbraw/zinc/40/07/10/415400710.db2.gz CFYYCRLYGNDFPO-UHFFFAOYSA-N 0 0 313.409 0.972 50 0 DCAARN CCOC(=O)[C@@H](Cc1ccccc1)N(C)S(=O)(=O)N(C)C ZINC000069976960 415404780 /nfs/dbraw/zinc/40/47/80/415404780.db2.gz RDMFBGTXUCQQJV-CYBMUJFWSA-N 0 0 314.407 0.899 50 0 DCAARN NC(=O)[C@H]1CCCN1C(=O)Cc1csc(-n2cccc2)n1 ZINC000071328923 415409100 /nfs/dbraw/zinc/40/91/00/415409100.db2.gz WQDDHFPIJHDCCV-LLVKDONJSA-N 0 0 304.375 0.953 50 0 DCAARN CCO[C@@H](C(=O)N1CCCN(CC(N)=O)CC1)c1ccccc1 ZINC000071829251 415410379 /nfs/dbraw/zinc/41/03/79/415410379.db2.gz RJPUXJQTWGGYIM-MRXNPFEDSA-N 0 0 319.405 0.784 50 0 DCAARN CCc1cccc(CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)c1 ZINC000276044745 415420325 /nfs/dbraw/zinc/42/03/25/415420325.db2.gz HCNHMFIUQDIBHH-ZDUSSCGKSA-N 0 0 316.361 0.776 50 0 DCAARN O=C([C@@H]1CCCN1c1ccc2nnnn2n1)N1CCSCC1 ZINC000066818229 415363850 /nfs/dbraw/zinc/36/38/50/415363850.db2.gz YFNMIOFOZARKNQ-JTQLQIEISA-N 0 0 319.394 0.064 50 0 DCAARN CNC(=O)CCNS(=O)(=O)c1cccc(C(=O)OC)c1C ZINC000066576083 415363890 /nfs/dbraw/zinc/36/38/90/415363890.db2.gz XDOUIGKWTIVMDJ-UHFFFAOYSA-N 0 0 314.363 0.196 50 0 DCAARN O[C@H](COCc1ccco1)Cn1nnnc1-c1ccccn1 ZINC000066738100 415365571 /nfs/dbraw/zinc/36/55/71/415365571.db2.gz DAQOAHLNFDYSKM-NSHDSACASA-N 0 0 301.306 0.906 50 0 DCAARN O=C(NCCSc1c[nH]nn1)c1ccc2c(c1)no[n+]2[O-] ZINC000067674057 415377642 /nfs/dbraw/zinc/37/76/42/415377642.db2.gz ZHXSLRMYJWMLDR-UHFFFAOYSA-N 0 0 306.307 0.101 50 0 DCAARN Cc1cc(C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)n(C)n1 ZINC000067486804 415378727 /nfs/dbraw/zinc/37/87/27/415378727.db2.gz YUMGMUXQZMPJKF-JTQLQIEISA-N 0 0 322.390 0.867 50 0 DCAARN NC(=O)NCC(=O)N1CCC[C@@H](C(=O)Cc2ccccc2)C1 ZINC000067820165 415385409 /nfs/dbraw/zinc/38/54/09/415385409.db2.gz WHDFBYXOJWJTPW-CYBMUJFWSA-N 0 0 303.362 0.705 50 0 DCAARN CNC(=O)[C@@H](NC(=O)Cn1ccc(C)cc1=O)c1ccccc1 ZINC000084247979 415491012 /nfs/dbraw/zinc/49/10/12/415491012.db2.gz QZAFVKXGZVBRJD-INIZCTEOSA-N 0 0 313.357 0.760 50 0 DCAARN COCc1cccc(CNC(=O)CN2CCN(CCO)CC2)c1 ZINC000075119270 415436559 /nfs/dbraw/zinc/43/65/59/415436559.db2.gz UXGYLUBDXBOIMS-UHFFFAOYSA-N 0 0 321.421 0.059 50 0 DCAARN COC(=O)c1sc(NC(=O)c2ccn3nnnc3c2)nc1C ZINC000079478770 415476902 /nfs/dbraw/zinc/47/69/02/415476902.db2.gz LOLRCTRXTWOPGQ-UHFFFAOYSA-N 0 0 318.318 0.928 50 0 DCAARN C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000333085946 415553045 /nfs/dbraw/zinc/55/30/45/415553045.db2.gz NCJZSQPUBRFZDK-LPWJVIDDSA-N 0 0 318.439 0.636 50 0 DCAARN C[C@H](C(=O)N1CCC[C@@H]1Cn1cccn1)N1CCN(C)CC1 ZINC000095364973 415553557 /nfs/dbraw/zinc/55/35/57/415553557.db2.gz SVHMWPKVSMIIEJ-HUUCEWRRSA-N 0 0 305.426 0.510 50 0 DCAARN CC(C)c1nccn1[C@@H](C)C(=O)NCCSc1nnnn1C ZINC000095354663 415553763 /nfs/dbraw/zinc/55/37/63/415553763.db2.gz GMMXCEUETWVIMG-JTQLQIEISA-N 0 0 323.426 1.000 50 0 DCAARN CNC(=O)c1nc(CN2C(=O)COc3ccc(F)cc32)no1 ZINC000095387579 415558089 /nfs/dbraw/zinc/55/80/89/415558089.db2.gz GFYMKMSKBQSPNS-UHFFFAOYSA-N 0 0 306.253 0.494 50 0 DCAARN CNS(=O)(=O)c1cc(-c2nc(-c3cnn(C)c3)no2)co1 ZINC000095439313 415558310 /nfs/dbraw/zinc/55/83/10/415558310.db2.gz HZQQEZIHDXBAQD-UHFFFAOYSA-N 0 0 309.307 0.638 50 0 DCAARN Cc1noc(C)c1CNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000095955233 415564532 /nfs/dbraw/zinc/56/45/32/415564532.db2.gz APMRKZASKVJDKA-LLVKDONJSA-N 0 0 315.395 0.579 50 0 DCAARN CCS(=O)(=O)N[C@@H]1CCCN(Cc2ccn(C)c(=O)c2)C1 ZINC000095956242 415564869 /nfs/dbraw/zinc/56/48/69/415564869.db2.gz GZZVUMGAWWAOAJ-CYBMUJFWSA-N 0 0 313.423 0.289 50 0 DCAARN Cc1nc(CNC(=O)CN(C)c2ncnc3nc[nH]c32)oc1C ZINC000095954414 415564905 /nfs/dbraw/zinc/56/49/05/415564905.db2.gz CMQBOTNXUUZLLW-UHFFFAOYSA-N 0 0 315.337 0.710 50 0 DCAARN Cc1nc(CN2CCN([C@@H]3CCCN(C(C)C)C3=O)CC2)no1 ZINC000095963695 415566919 /nfs/dbraw/zinc/56/69/19/415566919.db2.gz RLXLHQVSUGBTDW-CQSZACIVSA-N 0 0 321.425 0.895 50 0 DCAARN CC(C)N1CCN(Cc2nc(CS(C)(=O)=O)no2)CC1 ZINC000095962558 415569967 /nfs/dbraw/zinc/56/99/67/415569967.db2.gz KXVYAPJQSOAXOT-UHFFFAOYSA-N 0 0 302.400 0.140 50 0 DCAARN CCOC(=O)C[C@@](C)(O)CNC(=O)c1ccc(OC)cc1O ZINC000096013648 415571571 /nfs/dbraw/zinc/57/15/71/415571571.db2.gz IEOICYRSFJVGFC-OAHLLOKOSA-N 0 0 311.334 0.835 50 0 DCAARN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1ccccn1 ZINC000102952629 415601837 /nfs/dbraw/zinc/60/18/37/415601837.db2.gz UMWPBELURDFKDT-BETUJISGSA-N 0 0 301.346 0.873 50 0 DCAARN COc1ccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cn1 ZINC000102802909 415602107 /nfs/dbraw/zinc/60/21/07/415602107.db2.gz NLUOLJVPHSUTKJ-RYUDHWBXSA-N 0 0 315.329 0.980 50 0 DCAARN Cc1cc(C(=O)N2CCN(CCn3cncn3)CC2)c(C)n1C ZINC000353768038 415650460 /nfs/dbraw/zinc/65/04/60/415650460.db2.gz QQVBOICBBSYLQS-UHFFFAOYSA-N 0 0 316.409 0.691 50 0 DCAARN CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000097107263 415584642 /nfs/dbraw/zinc/58/46/42/415584642.db2.gz PEGCCPMKIGEPGM-VXGBXAGGSA-N 0 0 300.355 0.689 50 0 DCAARN CN(C)S(=O)(=O)CC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000097107264 415585754 /nfs/dbraw/zinc/58/57/54/415585754.db2.gz PEGCCPMKIGEPGM-NEPJUHHUSA-N 0 0 300.355 0.689 50 0 DCAARN COCCCn1cnnc1[C@H](C)NC(=O)c1cncnc1C ZINC000097136834 415586392 /nfs/dbraw/zinc/58/63/92/415586392.db2.gz RJXHIJFQBUYLPW-NSHDSACASA-N 0 0 304.354 0.904 50 0 DCAARN COCCCn1cnnc1[C@@H](C)NC(=O)c1cncnc1C ZINC000097136838 415586609 /nfs/dbraw/zinc/58/66/09/415586609.db2.gz RJXHIJFQBUYLPW-LLVKDONJSA-N 0 0 304.354 0.904 50 0 DCAARN CN(C)c1ncnc2c1CN(CCCN1CCCC1=O)CC2 ZINC000097201917 415587670 /nfs/dbraw/zinc/58/76/70/415587670.db2.gz FKORKNSANGOUEB-UHFFFAOYSA-N 0 0 303.410 0.913 50 0 DCAARN COc1ccc(CN2CCN(CC(N)=O)C[C@H]2CCO)cc1C ZINC000106978523 415655118 /nfs/dbraw/zinc/65/51/18/415655118.db2.gz XZSPNRDOJZSBLC-OAHLLOKOSA-N 0 0 321.421 0.358 50 0 DCAARN Cc1nnc([C@@H]2CN([C@H](C)C(=O)Nc3nccs3)CCO2)[nH]1 ZINC000107054906 415659214 /nfs/dbraw/zinc/65/92/14/415659214.db2.gz HUNMWYSYMHERBG-SCZZXKLOSA-N 0 0 322.394 0.970 50 0 DCAARN Cc1nc2ccccc2c(=O)n1CC(=O)NCCc1cn[nH]c1 ZINC000290452215 415804951 /nfs/dbraw/zinc/80/49/51/415804951.db2.gz DROAMTVLVZVIQB-UHFFFAOYSA-N 0 0 311.345 0.787 50 0 DCAARN Cc1cc(C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)nc(C)n1 ZINC000356334318 415901874 /nfs/dbraw/zinc/90/18/74/415901874.db2.gz DVEACVVDTDTBQY-GFCCVEGCSA-N 0 0 311.407 0.990 50 0 DCAARN C[C@@H](Cn1cncn1)NC(=O)Nc1ccc2c(c1)nnn2C ZINC000299761873 416064862 /nfs/dbraw/zinc/06/48/62/416064862.db2.gz ZNPICXSTOGCYHD-VIFPVBQESA-N 0 0 300.326 0.770 50 0 DCAARN Cc1nc2c(c(=O)n1C)CN(c1cc([C@H]3CCOC3)ncn1)C2 ZINC000299772696 416065267 /nfs/dbraw/zinc/06/52/67/416065267.db2.gz BJGYNHKVBDGINL-NSHDSACASA-N 0 0 313.361 0.903 50 0 DCAARN CN(CC(=O)N1CC(c2ccncc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000299781926 416067355 /nfs/dbraw/zinc/06/73/55/416067355.db2.gz WHTHGGZNQHSUTE-AWEZNQCLSA-N 0 0 323.418 0.126 50 0 DCAARN CCOCC(=O)N1CCC(C(=O)N(C)Cc2ncon2)CC1 ZINC000299783454 416067664 /nfs/dbraw/zinc/06/76/64/416067664.db2.gz ZKYIYODCDJUNQN-UHFFFAOYSA-N 0 0 310.354 0.303 50 0 DCAARN COc1c[nH]c(C(=O)N2CC[C@]3(OC)CC[C@H](O)C[C@H]23)cc1=O ZINC000299784046 416067945 /nfs/dbraw/zinc/06/79/45/416067945.db2.gz NZUNMLQCLZBLSB-JMPLFQLZSA-N 0 0 322.361 0.940 50 0 DCAARN COCCn1cnnc1[C@H](C)NC(=O)c1ccc(OC)nc1 ZINC000299784458 416068431 /nfs/dbraw/zinc/06/84/31/416068431.db2.gz HVNNRLBSLJJTAR-JTQLQIEISA-N 0 0 305.338 0.819 50 0 DCAARN CCC(=O)NCc1cc2n(n1)CCN(Cc1cc(C)n[nH]1)C2 ZINC000299793049 416068574 /nfs/dbraw/zinc/06/85/74/416068574.db2.gz IECLOWBPKOFAEQ-UHFFFAOYSA-N 0 0 302.382 0.957 50 0 DCAARN Cc1cnn(CCC[N@@H+]2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)c1 ZINC000299792882 416068826 /nfs/dbraw/zinc/06/88/26/416068826.db2.gz HCBNBZGXXJTJRI-QWHCGFSZSA-N 0 0 318.381 0.890 50 0 DCAARN Cc1nonc1N1CCN(c2cc([C@@H]3CCOC3)ncn2)CC1 ZINC000299790625 416069911 /nfs/dbraw/zinc/06/99/11/416069911.db2.gz BWKFVMLUAMSBCJ-GFCCVEGCSA-N 0 0 316.365 0.999 50 0 DCAARN CCOCC(=O)N1CCC(C(=O)NCc2cccnc2N)CC1 ZINC000299791772 416070162 /nfs/dbraw/zinc/07/01/62/416070162.db2.gz FOEPZLVPNAXWNB-UHFFFAOYSA-N 0 0 320.393 0.555 50 0 DCAARN O=C(Cn1nccn1)N[C@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000299795009 416070259 /nfs/dbraw/zinc/07/02/59/416070259.db2.gz LETZHKLSOHPTFZ-AWEZNQCLSA-N 0 0 315.377 0.765 50 0 DCAARN Cc1nc(C)n(CCCNC(=O)CCc2nc(Cl)n[nH]2)n1 ZINC000299801468 416071106 /nfs/dbraw/zinc/07/11/06/416071106.db2.gz YOAYVTJSEBDQGS-UHFFFAOYSA-N 0 0 311.777 0.806 50 0 DCAARN Cc1onc(N)c1S(=O)(=O)N(C)CCc1nccs1 ZINC000330898584 416245757 /nfs/dbraw/zinc/24/57/57/416245757.db2.gz VBHDIRZXVZYHGA-UHFFFAOYSA-N 0 0 302.381 0.885 50 0 DCAARN COC(=O)c1cn(C[C@@H](O)COC(C)C)cc2c(=O)[nH]nc1-2 ZINC000263587350 416338485 /nfs/dbraw/zinc/33/84/85/416338485.db2.gz FZOFRYBIKJLZCW-SECBINFHSA-N 0 0 309.322 0.249 50 0 DCAARN Cc1nc(C(=O)N[C@@H](C)CC(N)=O)nn1-c1ccc(F)cc1 ZINC000359721280 416355299 /nfs/dbraw/zinc/35/52/99/416355299.db2.gz YYXZSWAOCRGDOM-QMMMGPOBSA-N 0 0 305.313 0.709 50 0 DCAARN Cc1nonc1OCCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000216411532 416327356 /nfs/dbraw/zinc/32/73/56/416327356.db2.gz TUWMDLFQYDOXKL-UHFFFAOYSA-N 0 0 315.289 0.423 50 0 DCAARN CCS(=O)(=O)NCCNC(=O)c1cc(C)nc(OC)c1 ZINC000225693545 416327715 /nfs/dbraw/zinc/32/77/15/416327715.db2.gz HKHZIJQRHLULOC-UHFFFAOYSA-N 0 0 301.368 0.068 50 0 DCAARN Cn1cc(C(=O)NC[C@@H](c2ccco2)N2CCSCC2)nn1 ZINC000240002191 416330169 /nfs/dbraw/zinc/33/01/69/416330169.db2.gz POKYTCCHLHBRQV-LBPRGKRZSA-N 0 0 321.406 0.928 50 0 DCAARN CO[C@@H]1C[C@H]2C(=O)N([C@@H]3CCN(CC(F)(F)F)C3)C(=O)N2C1 ZINC000240407398 416330185 /nfs/dbraw/zinc/33/01/85/416330185.db2.gz FLXXOIPSQSIMJT-BBBLOLIVSA-N 0 0 321.299 0.675 50 0 DCAARN COCCN(CC(=O)N1CCN(C)CC1)Cc1nccs1 ZINC000244584390 416330348 /nfs/dbraw/zinc/33/03/48/416330348.db2.gz CYKXWJBOZZOGJW-UHFFFAOYSA-N 0 0 312.439 0.366 50 0 DCAARN Cc1c(Cl)cccc1NC(=O)CN1C[C@@H](O)C[C@H]1C(N)=O ZINC000241961344 416330363 /nfs/dbraw/zinc/33/03/63/416330363.db2.gz URPOOMMUFZIEAC-CABZTGNLSA-N 0 0 311.769 0.507 50 0 DCAARN O[C@H]1C[C@@H](c2cc(N3CCN(c4ncccn4)CC3)ncn2)C1 ZINC000244626856 416330373 /nfs/dbraw/zinc/33/03/73/416330373.db2.gz FTWMKRPZVIBPAX-BETUJISGSA-N 0 0 312.377 0.832 50 0 DCAARN Cc1nn[nH]c1C(=O)N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1 ZINC000244626853 416330433 /nfs/dbraw/zinc/33/04/33/416330433.db2.gz FTVYHSNGPXBNFY-KYZUINATSA-N 0 0 317.353 0.208 50 0 DCAARN CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2nnc[nH]2)C1 ZINC000242263412 416330587 /nfs/dbraw/zinc/33/05/87/416330587.db2.gz XYYAPJPLRSYHHF-MXWKQRLJSA-N 0 0 307.354 0.645 50 0 DCAARN Cn1ccc(NC(=O)CN2CCC[C@@]3(CN(C)C(=O)O3)C2)n1 ZINC000244602017 416330594 /nfs/dbraw/zinc/33/05/94/416330594.db2.gz DWDMYGKDVOSOGZ-CQSZACIVSA-N 0 0 307.354 0.275 50 0 DCAARN CC(C)Cc1cc(C(=O)N2CCc3[nH][nH]c(=O)c3CC2)[nH]n1 ZINC000244659702 416330925 /nfs/dbraw/zinc/33/09/25/416330925.db2.gz HHKNDEPUWACLNQ-UHFFFAOYSA-N 0 0 303.366 0.866 50 0 DCAARN COc1cncc([C@H](NC(=O)Cn2ccnc2)[C@H]2C[C@@H](O)C2)c1 ZINC000244708120 416331007 /nfs/dbraw/zinc/33/10/07/416331007.db2.gz KNSZFDOJURKXLH-PVXIVEMSSA-N 0 0 316.361 0.915 50 0 DCAARN Cc1cc(CC(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)on1 ZINC000244787901 416331192 /nfs/dbraw/zinc/33/11/92/416331192.db2.gz QFUXYKSHTZSAMZ-IFUGULHKSA-N 0 0 304.350 0.887 50 0 DCAARN Cc1noc(C)c1CCC(=O)NCCS(=O)(=O)N(C)C ZINC000359806260 416359789 /nfs/dbraw/zinc/35/97/89/416359789.db2.gz ZSYBLSOKNCOVQW-UHFFFAOYSA-N 0 0 303.384 0.232 50 0 DCAARN CCN(CCn1cccn1)C(=O)N[C@@H](C)c1nnc(N)s1 ZINC000584885818 416515515 /nfs/dbraw/zinc/51/55/15/416515515.db2.gz CWZFESIVSCQCLQ-VIFPVBQESA-N 0 0 309.399 1.110 50 0 DCAARN COc1cccc2ncn(CCc3nnc(N)s3)c(=O)c21 ZINC000584890498 416516488 /nfs/dbraw/zinc/51/64/88/416516488.db2.gz PPOWCBXAJGLRJC-UHFFFAOYSA-N 0 0 303.347 1.082 50 0 DCAARN O=C(CCc1ccncc1)N1CCN(CC(F)(F)CO)CC1 ZINC000585130430 416519536 /nfs/dbraw/zinc/51/95/36/416519536.db2.gz PSXBRIRCUYPDIS-UHFFFAOYSA-N 0 0 313.348 0.786 50 0 DCAARN CNC(=O)[C@@H]1CCC[C@@H]1Nc1ccn2c(C(=O)OC)cnc2n1 ZINC000585142448 416520113 /nfs/dbraw/zinc/52/01/13/416520113.db2.gz WQYRDWIEUAKLCY-ZJUUUORDSA-N 0 0 317.349 0.843 50 0 DCAARN Cc1cc(=O)[nH]c(NCCNC(=O)NC[C@H]2CCCCO2)n1 ZINC000426506880 416771824 /nfs/dbraw/zinc/77/18/24/416771824.db2.gz WTRNVUHRLCTSPG-LLVKDONJSA-N 0 0 309.370 0.771 50 0 DCAARN COc1nc(CNC(=O)c2ccno2)nc(N2CCCCC2)n1 ZINC000575604246 417538822 /nfs/dbraw/zinc/53/88/22/417538822.db2.gz VIZOROWLHUTLEC-UHFFFAOYSA-N 0 0 318.337 0.789 50 0 DCAARN COc1ncc(C(=O)NCc2nc(C3CCOCC3)no2)cn1 ZINC000575605999 417539400 /nfs/dbraw/zinc/53/94/00/417539400.db2.gz IXAQCLDDUIMYCV-UHFFFAOYSA-N 0 0 319.321 0.692 50 0 DCAARN COc1nc(CNC(=O)c2noc3c2CCCC3)nc(OC)n1 ZINC000575604064 417539644 /nfs/dbraw/zinc/53/96/44/417539644.db2.gz PUESKHAWDBYNNI-UHFFFAOYSA-N 0 0 319.321 0.686 50 0 DCAARN O=C(N[C@@H]1CCN(c2nccn3cnnc23)C1)c1ccccn1 ZINC000575615806 417540538 /nfs/dbraw/zinc/54/05/38/417540538.db2.gz GUECQDRACFGERS-LLVKDONJSA-N 0 0 309.333 0.528 50 0 DCAARN O=C(NCCn1nc(C2CC2)ccc1=O)NC[C@@H]1CCCO1 ZINC000575607658 417541043 /nfs/dbraw/zinc/54/10/43/417541043.db2.gz JHNWQHYYKNVKOG-LBPRGKRZSA-N 0 0 306.366 0.599 50 0 DCAARN C[C@@H](Oc1ccccc1)C(=O)N1CC(CN2C(=O)COC2=O)C1 ZINC000575616194 417541058 /nfs/dbraw/zinc/54/10/58/417541058.db2.gz KCEJAKFZHZQFOC-LLVKDONJSA-N 0 0 318.329 0.891 50 0 DCAARN O=C(Nc1ccncc1)C1CN(c2cc(-n3ccnc3)ncn2)C1 ZINC000575610291 417541883 /nfs/dbraw/zinc/54/18/83/417541883.db2.gz VFSVIJGWPYRICF-UHFFFAOYSA-N 0 0 321.344 0.554 50 0 DCAARN CC(C)(C)OC(=O)[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCOC2)C1(C)C ZINC000413688907 262221370 /nfs/dbraw/zinc/22/13/70/262221370.db2.gz PPDIUJKQDLZSGF-OHUAYANFSA-N 0 0 313.394 0.868 50 0 DCAARN O=C(Cc1nc2ncccn2n1)N1CCCN(CC(F)F)CC1 ZINC000534309299 287811666 /nfs/dbraw/zinc/81/16/66/287811666.db2.gz BANIQJPRBCJRJB-UHFFFAOYSA-N 0 0 324.335 0.466 50 0 DCAARN C[C@@H]1CN(C(=O)CCN(C)S(C)(=O)=O)C[C@@]1(O)C1CCC1 ZINC000091644703 287878407 /nfs/dbraw/zinc/87/84/07/287878407.db2.gz HRYKYPKKESIWBW-RISCZKNCSA-N 0 0 318.439 0.277 50 0 DCAARN CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccncc1 ZINC000000139787 276304508 /nfs/dbraw/zinc/30/45/08/276304508.db2.gz DIFSQYBBNDTZBC-UHFFFAOYSA-N 0 0 301.266 0.471 50 0 DCAARN CCN[C@H]1C[C@@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 ZINC000001530619 276423641 /nfs/dbraw/zinc/42/36/41/276423641.db2.gz IAVUPMFITXYVAF-SVRRBLITSA-N 0 0 324.449 0.612 50 0 DCAARN CN(C(=O)[C@H]1COc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC000040473655 276735734 /nfs/dbraw/zinc/73/57/34/276735734.db2.gz DQTHIPGNIRBIMU-OLZOCXBDSA-N 0 0 309.387 0.883 50 0 DCAARN CN1c2ccccc2N(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000225449762 277217485 /nfs/dbraw/zinc/21/74/85/277217485.db2.gz IZSZFLWVDVWGOQ-SNVBAGLBSA-N 0 0 308.359 0.431 50 0 DCAARN CNC(=S)N1CCN(c2ncnc3c(C)nn(C)c32)CC1 ZINC000028559321 277262674 /nfs/dbraw/zinc/26/26/74/277262674.db2.gz RNXRVODVKIMELJ-UHFFFAOYSA-N 0 0 305.411 0.298 50 0 DCAARN CC(=O)N1CCCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000040488046 278003419 /nfs/dbraw/zinc/00/34/19/278003419.db2.gz HYJFCYGSNRKRGB-UHFFFAOYSA-N 0 0 303.428 0.661 50 0 DCAARN CC(=O)N[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000040489386 278125729 /nfs/dbraw/zinc/12/57/29/278125729.db2.gz DMDYTMFVDYDKHD-QWHCGFSZSA-N 0 0 316.423 0.327 50 0 DCAARN CC(C)C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000106551978 279194362 /nfs/dbraw/zinc/19/43/62/279194362.db2.gz UNCHCBJAXKFYNN-TUAOUCFPSA-N 0 0 306.428 0.586 50 0 DCAARN CCOC(=O)CN1C(=O)CS[C@]12C(=O)Nc1ccccc12 ZINC000032594594 279554753 /nfs/dbraw/zinc/55/47/53/279554753.db2.gz GLYGGRQLEHJWRW-CQSZACIVSA-N 0 0 306.343 0.930 50 0 DCAARN CC(C)NC(=O)[C@H](c1ccccc1)N1CCS(=O)(=O)CC1 ZINC000058429103 279600741 /nfs/dbraw/zinc/60/07/41/279600741.db2.gz VYYMTQIOQVCNJM-AWEZNQCLSA-N 0 0 310.419 0.983 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)CCc2c(C)nn(C)c2C)CC1 ZINC000071881081 280203670 /nfs/dbraw/zinc/20/36/70/280203670.db2.gz FKJJOTGOBIERCU-OAHLLOKOSA-N 0 0 322.453 0.885 50 0 DCAARN O=c1c2cnc3nc(-c4ccncc4)nn3c2ccn1CCO ZINC000067631248 280392756 /nfs/dbraw/zinc/39/27/56/280392756.db2.gz PRGHZILOEXISPT-UHFFFAOYSA-N 0 0 308.301 0.494 50 0 DCAARN CN1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000072237999 290022970 /nfs/dbraw/zinc/02/29/70/290022970.db2.gz FBZJHPOYFFZLAQ-JKSUJKDBSA-N 0 0 317.389 0.359 50 0 DCAARN CN1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)[C@@H](c2ccccc2)C1 ZINC000022840437 290026591 /nfs/dbraw/zinc/02/65/91/290026591.db2.gz NYVKDMCDBCYQAU-LSDHHAIUSA-N 0 0 322.430 0.936 50 0 DCAARN C[N@@H+]1CC[C@H]2CN(c3ncnc4c3CCC4)C[C@@]2(C(=O)[O-])C1 ZINC000091858665 290234337 /nfs/dbraw/zinc/23/43/37/290234337.db2.gz NONQXFUZCHEMMK-ZBEGNZNMSA-N 0 0 302.378 0.808 50 0 DCAARN Cn1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2ncc[nH]2)cn1 ZINC000126378831 294256909 /nfs/dbraw/zinc/25/69/09/294256909.db2.gz XKHFTJRQDXDJRY-LLVKDONJSA-N 0 0 302.338 0.836 50 0 DCAARN NC(=O)c1nn(-c2ccccc2)nc1NC(=O)CN1CCCC1 ZINC000004624542 295198902 /nfs/dbraw/zinc/19/89/02/295198902.db2.gz SAYJWLXNNPGNJZ-UHFFFAOYSA-N 0 0 314.349 0.401 50 0 DCAARN Nc1cc(N2CC[N@H+](CC3CCC3)C[C@H](C(=O)[O-])C2)ncn1 ZINC000097805759 295349319 /nfs/dbraw/zinc/34/93/19/295349319.db2.gz PQMRMTBYPWURHM-LBPRGKRZSA-N 0 0 305.382 0.682 50 0 DCAARN COc1ncccc1NC(=O)C[C@H](C[NH+]1CCOCC1)C(=O)[O-] ZINC000072403600 295466995 /nfs/dbraw/zinc/46/69/95/295466995.db2.gz FVZDFSMNXIDTIA-LLVKDONJSA-N 0 0 323.349 0.452 50 0 DCAARN CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCCn1cccn1 ZINC000044911095 295516285 /nfs/dbraw/zinc/51/62/85/295516285.db2.gz VCVFTCQBAIUJSV-LBPRGKRZSA-N 0 0 314.411 0.204 50 0 DCAARN Cc1cccnc1NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000040475383 302238912 /nfs/dbraw/zinc/23/89/12/302238912.db2.gz KVWMIIXDXLHSQD-UHFFFAOYSA-N 0 0 318.358 0.826 50 0 DCAARN Cc1oc(NC(=O)CN2CCOCC2)c2c1c(C)n[nH]c2=O ZINC000028623426 302871884 /nfs/dbraw/zinc/87/18/84/302871884.db2.gz ZVBAICDDCDZEJN-UHFFFAOYSA-N 0 0 306.322 0.404 50 0 DCAARN Cc1cccc2ncc(C(=O)NCC(=O)NC(C)(C)C)c(=O)n12 ZINC000071404223 331922140 /nfs/dbraw/zinc/92/21/40/331922140.db2.gz LHYOTTVAVOHVNA-UHFFFAOYSA-N 0 0 316.361 0.647 50 0 DCAARN CC(C)[C@H](OC(=O)CN1CCCCCC1=O)C(=O)NC(N)=O ZINC000005539807 332704345 /nfs/dbraw/zinc/70/43/45/332704345.db2.gz OJQVXGKIWIMQDG-LBPRGKRZSA-N 0 0 313.354 0.152 50 0 DCAARN Cn1cc(C[C@@H](CO)CNC(=O)c2cc(Cl)cn2C)cn1 ZINC000521394124 333076855 /nfs/dbraw/zinc/07/68/55/333076855.db2.gz AGJJCLACTCVLRU-LLVKDONJSA-N 0 0 310.785 0.993 50 0 DCAARN COCCN1CCN(C(=O)c2cnc(C(C)C)[nH]c2=O)CC1 ZINC000240825193 333534513 /nfs/dbraw/zinc/53/45/13/333534513.db2.gz QNZCNWOYEUKPOV-UHFFFAOYSA-N 0 0 308.382 0.710 50 0 DCAARN CC(C)C(=O)N1CCC[C@@H](NS(=O)(=O)N2CCCC2)C1 ZINC000534576076 334287450 /nfs/dbraw/zinc/28/74/50/334287450.db2.gz SNHJRNVXUQVSDZ-GFCCVEGCSA-N 0 0 303.428 0.564 50 0 DCAARN CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cnc(NCC(=O)[O-])nc1)C2 ZINC000534581947 334289543 /nfs/dbraw/zinc/28/95/43/334289543.db2.gz VZBPKTCRHVHHFQ-IMRBUKKESA-N 0 0 306.366 0.830 50 0 DCAARN COCC1CCN(S(=O)(=O)NCc2cscn2)CC1 ZINC000534634120 334308870 /nfs/dbraw/zinc/30/88/70/334308870.db2.gz IANIGHQGQANPEW-UHFFFAOYSA-N 0 0 305.425 0.836 50 0 DCAARN CC(C)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cn[nH]c2)C1 ZINC000534667673 334319164 /nfs/dbraw/zinc/31/91/64/334319164.db2.gz ZMWPSNDIWRFTBM-SNVBAGLBSA-N 0 0 300.384 0.335 50 0 DCAARN COCCc1noc(CNC(=O)CN2Cc3ccccc3C2)n1 ZINC000534668590 334319753 /nfs/dbraw/zinc/31/97/53/334319753.db2.gz PDRWZSQGDDIDDK-UHFFFAOYSA-N 0 0 316.361 0.891 50 0 DCAARN O=C(NC[C@@H]1CCCOC1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000390834645 534580377 /nfs/dbraw/zinc/58/03/77/534580377.db2.gz KMFXDQALBGNNFA-SUMWQHHRSA-N 0 0 302.374 0.987 50 0 DCAARN COc1ccc(CN2CCN(C(=O)c3nc[nH]n3)CC2)cn1 ZINC000215023856 524031298 /nfs/dbraw/zinc/03/12/98/524031298.db2.gz KYDUUPGJUNOMHO-UHFFFAOYSA-N 0 0 302.338 0.166 50 0 DCAARN CCN1C[C@H](C)N(S(=O)(=O)CCCC(=O)OC)C[C@@H]1C ZINC000390835200 527972738 /nfs/dbraw/zinc/97/27/38/527972738.db2.gz GLTKKUDFURPSKN-RYUDHWBXSA-N 0 0 306.428 0.684 50 0 DCAARN CCS(=O)(=O)C1CN([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000408523349 528780164 /nfs/dbraw/zinc/78/01/64/528780164.db2.gz IXKDYNASGFEXCF-CQSZACIVSA-N 0 0 308.403 0.911 50 0 DCAARN CCN1C(=O)CCc2cc(S(=O)(=O)NCCCO)ccc21 ZINC000257173031 535430304 /nfs/dbraw/zinc/43/03/04/535430304.db2.gz AVIKUOOONHYYNS-UHFFFAOYSA-N 0 0 312.391 0.646 50 0 DCAARN CCN1CCN(C(=O)COCc2ccnn2C)C(C)(C)C1=O ZINC000284535722 535617721 /nfs/dbraw/zinc/61/77/21/535617721.db2.gz CJVGENSBSOAZGT-UHFFFAOYSA-N 0 0 308.382 0.406 50 0 DCAARN Cn1ccnc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000084321891 545700907 /nfs/dbraw/zinc/70/09/07/545700907.db2.gz GLTWXBHRITXKLX-UHFFFAOYSA-N 0 0 318.299 0.951 50 0 DCAARN CC(=O)N1CCN([C@@H]2CN([C@@H]3C[C@H](C)OC3=O)C[C@@H]2C)CC1 ZINC000084685871 545702323 /nfs/dbraw/zinc/70/23/23/545702323.db2.gz UFRNUGDXTIYKQJ-DDHJSBNISA-N 0 0 309.410 0.175 50 0 DCAARN COC(=O)CS(=O)(=O)NC[C@H]1CCCN1c1ccccc1 ZINC000207994241 545936303 /nfs/dbraw/zinc/93/63/03/545936303.db2.gz JWVLNGFPFAJUKS-CYBMUJFWSA-N 0 0 312.391 0.748 50 0 DCAARN CCCC(=O)NCC(=O)Nc1cnc(N2CCN(C)CC2)nc1 ZINC000207976823 545936617 /nfs/dbraw/zinc/93/66/17/545936617.db2.gz JKAFORGFEDLVCS-UHFFFAOYSA-N 0 0 320.397 0.083 50 0 DCAARN COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(C)(=O)=O ZINC000206804564 545936759 /nfs/dbraw/zinc/93/67/59/545936759.db2.gz WJWYPMVKXAAGHN-GXSJLCMTSA-N 0 0 317.338 0.780 50 0 DCAARN Cc1cc(N)n(CC(=O)N2CCC[C@H](N3CCCC3=O)C2)n1 ZINC000215963396 545939036 /nfs/dbraw/zinc/93/90/36/545939036.db2.gz AKQPRTYCLBEYDL-LBPRGKRZSA-N 0 0 305.382 0.387 50 0 DCAARN CC(=O)NCC(=O)N1C[C@H](c2ncon2)[C@H](c2ccccc2)C1 ZINC000238815933 545960369 /nfs/dbraw/zinc/96/03/69/545960369.db2.gz BLXAOZGTGXKTSD-KBPBESRZSA-N 0 0 314.345 0.915 50 0 DCAARN CC(C)Cc1cc(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)[nH]c(=O)n1 ZINC000670446614 547095303 /nfs/dbraw/zinc/09/53/03/547095303.db2.gz USQDOTAUUFIHKR-VXGBXAGGSA-N 0 0 318.377 0.931 50 0 DCAARN Cc1ccc(=O)n(CC(=O)NCCCn2cc(Cl)cn2)n1 ZINC000670451730 547096685 /nfs/dbraw/zinc/09/66/85/547096685.db2.gz SQGUBWKSFVDGLA-UHFFFAOYSA-N 0 0 309.757 0.608 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)CCn3cnnn3)cc2c1 ZINC000670456849 547097774 /nfs/dbraw/zinc/09/77/74/547097774.db2.gz OGWVIJJHKIKASR-UHFFFAOYSA-N 0 0 300.322 0.870 50 0 DCAARN CC(C)(O)Cn1nc(CC(N)=O)nc1CCc1cccnc1 ZINC000670471195 547099927 /nfs/dbraw/zinc/09/99/27/547099927.db2.gz GYMMDRPKSGOTCN-UHFFFAOYSA-N 0 0 303.366 0.257 50 0 DCAARN CN(C)C1=NC2(CCN(c3ncc(Cl)cn3)CC2)C(=O)N1 ZINC000670470879 547100394 /nfs/dbraw/zinc/10/03/94/547100394.db2.gz ATQYMRBVAVBYOL-UHFFFAOYSA-N 0 0 308.773 0.516 50 0 DCAARN COCc1noc(CNC(=O)CCc2c(C)nn(C)c2C)n1 ZINC000670467216 547100931 /nfs/dbraw/zinc/10/09/31/547100931.db2.gz DXSKREWAJDUHJU-UHFFFAOYSA-N 0 0 307.354 0.815 50 0 DCAARN COc1c[nH]c(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+](C)C3)cc1=O ZINC000670473459 547101441 /nfs/dbraw/zinc/10/14/41/547101441.db2.gz CZQJJPAFJDFFLS-RYUDHWBXSA-N 0 0 305.378 0.940 50 0 DCAARN Cc1ccnc(NC(=O)CCC(=O)NCCc2ncnn2C)c1 ZINC000670473659 547101841 /nfs/dbraw/zinc/10/18/41/547101841.db2.gz TZXQTXPCHBGHEA-UHFFFAOYSA-N 0 0 316.365 0.596 50 0 DCAARN CCCn1nccc1S(=O)(=O)N1CCO[C@H](CCOC)C1 ZINC000670471687 547102014 /nfs/dbraw/zinc/10/20/14/547102014.db2.gz XGOCAQUESZPXNV-GFCCVEGCSA-N 0 0 317.411 0.719 50 0 DCAARN Cc1ccc(F)cc1S(=O)(=O)NC[C@H]1CC(=O)N(C)C1 ZINC000681820570 548298326 /nfs/dbraw/zinc/29/83/26/548298326.db2.gz IDFOVRVMLZDUQE-SNVBAGLBSA-N 0 0 300.355 0.891 50 0 DCAARN Cc1nc2ccc(C(=O)NC3(C(N)=O)CCOCC3)cc2o1 ZINC000684215847 548584088 /nfs/dbraw/zinc/58/40/88/548584088.db2.gz KSKPVDWFKVYFOP-UHFFFAOYSA-N 0 0 303.318 0.901 50 0 DCAARN O=C(NCCc1ccc[nH]1)c1coc(CN2CC[C@@H](O)C2)n1 ZINC000685941752 548747185 /nfs/dbraw/zinc/74/71/85/548747185.db2.gz HZTVYUNFXBFRMS-GFCCVEGCSA-N 0 0 304.350 0.542 50 0 DCAARN CC/C(C)=C(\C)C(=O)N1CC(N2C[C@@H](C(=O)NC)CC2=O)C1 ZINC000685942301 548748027 /nfs/dbraw/zinc/74/80/27/548748027.db2.gz MXGSFTBWXLPJGY-IIANPFDCSA-N 0 0 307.394 0.538 50 0 DCAARN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cccc(F)c3)C2)C1 ZINC000685942127 548748058 /nfs/dbraw/zinc/74/80/58/548748058.db2.gz LGSCYDXKRJVTNH-NSHDSACASA-N 0 0 319.336 0.245 50 0 DCAARN Cn1nccc1C(=O)N[C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C ZINC000685942737 548748313 /nfs/dbraw/zinc/74/83/13/548748313.db2.gz UXYDQLMAESFBMY-GHMZBOCLSA-N 0 0 318.381 0.786 50 0 DCAARN CS(=O)(=O)[C@H]1[C@@H]2C=C[C@H]3[C@H]2[C@H]2[C@@H]1C=C[C@@H]2[C@H]3S(C)(=O)=O ZINC000257357182 563850513 /nfs/dbraw/zinc/85/05/13/563850513.db2.gz MNMMQMQHMOCOKM-AJGHZPGYSA-N 0 0 314.428 0.677 50 0 DCAARN CS(=O)(=O)[C@H]1[C@@H]2C=C[C@@H]3C2C2[C@@H]1C=C[C@@H]2[C@H]3S(C)(=O)=O ZINC000257357185 563850548 /nfs/dbraw/zinc/85/05/48/563850548.db2.gz MNMMQMQHMOCOKM-HPHDXHSQSA-N 0 0 314.428 0.677 50 0 DCAARN C/C(=C/c1ccccc1)CN1CCN(CCS(N)(=O)=O)CC1 ZINC000093741085 662870139 /nfs/dbraw/zinc/87/01/39/662870139.db2.gz UOUUPGPJKLYKCW-SQFISAMPSA-N 0 0 323.462 0.996 50 0 DCAARN COCCOCCN1CCN(C(=O)CCc2ccncc2)CC1 ZINC000585090527 662949676 /nfs/dbraw/zinc/94/96/76/662949676.db2.gz FUFKXGMSISVIJV-UHFFFAOYSA-N 0 0 321.421 0.821 50 0 DCAARN COCCNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cnc(C)cn1 ZINC000169761947 664559747 /nfs/dbraw/zinc/55/97/47/664559747.db2.gz GENMYGUVQIIKDG-NWDGAFQWSA-N 0 0 306.366 0.446 50 0 DCAARN CCO[C@@H]1C[C@H](NC(=O)NC[C@H]2COCO2)C12CCOCC2 ZINC000864095694 667214716 /nfs/dbraw/zinc/21/47/16/667214716.db2.gz WPJXYJCLSYZGHR-RWMBFGLXSA-N 0 0 314.382 0.633 50 0 DCAARN Cc1nn(C)c(C)c1OCC(=O)N1CCC(n2cncn2)CC1 ZINC000128645616 668155828 /nfs/dbraw/zinc/15/58/28/668155828.db2.gz BNPAPDDGVSFSFK-UHFFFAOYSA-N 0 0 318.381 0.871 50 0 DCAARN CCn1cc(S(=O)(=O)N2CCC3(CNC(=O)O3)CC2)cn1 ZINC000780935476 669020208 /nfs/dbraw/zinc/02/02/08/669020208.db2.gz GPPHGRKCWIPRKB-UHFFFAOYSA-N 0 0 314.367 0.166 50 0 DCAARN Cc1ccn(C)c1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000189895651 670174363 /nfs/dbraw/zinc/17/43/63/670174363.db2.gz DINCBVIIDWSUPK-UHFFFAOYSA-N 0 0 310.379 0.827 50 0 DCAARN COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CC[C@]3(CCOC3)C2)C1 ZINC000952992472 685602683 /nfs/dbraw/zinc/60/26/83/685602683.db2.gz FSJLUDDMIVUHKW-LOWVWBTDSA-N 0 0 303.380 0.380 50 0 DCAARN Cn1cncc1C(=O)NC[C@H]1CCCN(c2nccc(N)n2)C1 ZINC000952976556 685600996 /nfs/dbraw/zinc/60/09/96/685600996.db2.gz SPZARRWAIHEDDN-LLVKDONJSA-N 0 0 315.381 0.439 50 0 DCAARN O=C(Cn1nnnc1CN1CCCCCC1)NC[C@H]1CCCO1 ZINC000015074354 685049956 /nfs/dbraw/zinc/04/99/56/685049956.db2.gz URMZDKSRYOBZMR-CYBMUJFWSA-N 0 0 322.413 0.344 50 0 DCAARN Cc1nccn1CCC(=O)N1CCN(CCn2cncn2)CC1 ZINC000082120227 685082221 /nfs/dbraw/zinc/08/22/21/685082221.db2.gz IEFUSKRNDRYFGH-UHFFFAOYSA-N 0 0 317.397 0.018 50 0 DCAARN Cc1nc(CN2CCN(Cc3cc(C(N)=O)cs3)CC2)no1 ZINC000093274480 685110706 /nfs/dbraw/zinc/11/07/06/685110706.db2.gz ZKMGNAPQVIBZRX-UHFFFAOYSA-N 0 0 321.406 0.856 50 0 DCAARN CC1CC[NH+](CC(=O)N2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)CC1 ZINC001772711940 1157847481 /nfs/dbraw/zinc/84/74/81/1157847481.db2.gz ICDRAMMRLHFJJY-CJNGLKHVSA-N 0 0 310.394 0.668 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cnc(C)nc3)C[C@H]2O)[nH]n1 ZINC001704278285 1179958213 /nfs/dbraw/zinc/95/82/13/1179958213.db2.gz OSDAUXSRBUFINM-BXUZGUMPSA-N 0 0 301.350 0.492 50 0 DCAARN CCOCCC(=O)N1CCC2(CC1)C[C@](C)(O)[C@@H](O)CO2 ZINC001704300611 1179966468 /nfs/dbraw/zinc/96/64/68/1179966468.db2.gz ZGFKHNCBNGRYRG-JSGCOSHPSA-N 0 0 301.383 0.306 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)CCc3cn[nH]c3)C[C@H]2O)[nH]n1 ZINC001704340120 1179979104 /nfs/dbraw/zinc/97/91/04/1179979104.db2.gz OEAXGXKZSYFYED-TZMCWYRMSA-N 0 0 303.366 0.436 50 0 DCAARN Cc1c(F)cccc1NC(=O)CN1CCNC(=O)[C@@H]1CCO ZINC001704349441 1179981351 /nfs/dbraw/zinc/98/13/51/1179981351.db2.gz HHFXFLMFBMJZPM-ZDUSSCGKSA-N 0 0 309.341 0.255 50 0 DCAARN COCCN(C)CC(=O)N1C[C@@H](Cc2ccncc2)[C@H](O)C1 ZINC001704351912 1179982924 /nfs/dbraw/zinc/98/29/24/1179982924.db2.gz SMYNPHGDCSLAIN-HUUCEWRRSA-N 0 0 307.394 0.022 50 0 DCAARN O=C(NCC1(OCCO)CCSCC1)C1CCOCC1 ZINC000888107026 747313511 /nfs/dbraw/zinc/31/35/11/747313511.db2.gz ONQKXJPLDSZTQH-UHFFFAOYSA-N 0 0 303.424 0.804 50 0 DCAARN Cc1nn(C)cc1CN(C)C(=O)[C@H]1CCCCC2N=NC(=O)N21 ZINC000675012499 748026057 /nfs/dbraw/zinc/02/60/57/748026057.db2.gz MWJOKMPCQXAMIC-GFCCVEGCSA-N 0 0 318.381 0.952 50 0 DCAARN Cc1cc(CNC(=O)[C@@H]2CCCCC3N=NC(=O)N32)n(C)n1 ZINC000675012348 748026189 /nfs/dbraw/zinc/02/61/89/748026189.db2.gz IIHPAHNNYBOAET-NSHDSACASA-N 0 0 304.354 0.610 50 0 DCAARN COCC(=O)N1CCC[C@@](F)(C(=O)NCc2ccncc2)C1 ZINC000675020200 748027783 /nfs/dbraw/zinc/02/77/83/748027783.db2.gz CQQMBRGVPGRCRL-HNNXBMFYSA-N 0 0 309.341 0.675 50 0 DCAARN CN1CCN(S(=O)(=O)N[C@H]2CCc3ccccc3C2)CC1 ZINC000823791285 758275508 /nfs/dbraw/zinc/27/55/08/758275508.db2.gz RLVCOTIYCIEUIL-HNNXBMFYSA-N 0 0 309.435 0.626 50 0 DCAARN COCCNC(=O)c1cccc(NC(=O)CNC(C)=O)c1C ZINC000824424358 758772289 /nfs/dbraw/zinc/77/22/89/758772289.db2.gz MWLYRUICFLHJDS-UHFFFAOYSA-N 0 0 307.350 0.446 50 0 DCAARN CO[C@H]1COC[C@@H]1NC(=O)c1cc(C(C)C)n2ncnc2n1 ZINC000824506861 758778034 /nfs/dbraw/zinc/77/80/34/758778034.db2.gz WKXNSCHGHWCSLW-JQWIXIFHSA-N 0 0 305.338 0.391 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)C[C@@H]3NC(=O)NC3=O)cc2c1 ZINC000824758578 758783444 /nfs/dbraw/zinc/78/34/44/758783444.db2.gz LFFLJASVKWFWTN-LBPRGKRZSA-N 0 0 316.317 0.391 50 0 DCAARN O=S(=O)(NCCc1noc(C(F)(F)F)n1)c1cn[nH]c1 ZINC000825720683 758817647 /nfs/dbraw/zinc/81/76/47/758817647.db2.gz VFQCHRQEPYKBMT-UHFFFAOYSA-N 0 0 311.245 0.333 50 0 DCAARN Cc1cnn([C@@H](C)c2nc(CC(N)=O)nn2-c2cccnc2)c1 ZINC000826842239 758845432 /nfs/dbraw/zinc/84/54/32/758845432.db2.gz OGBYCRQVCJQNCW-NSHDSACASA-N 0 0 311.349 0.804 50 0 DCAARN Cc1n[nH]nc1-c1nc(CC(N)=O)nn1-c1cccc2c1CCC2 ZINC000826842380 758845769 /nfs/dbraw/zinc/84/57/69/758845769.db2.gz QWXWMQZROUFWBP-UHFFFAOYSA-N 0 0 323.360 0.877 50 0 DCAARN NC(=O)Cc1nc(CCCn2cccn2)n(CC(F)(F)F)n1 ZINC000826842244 758846082 /nfs/dbraw/zinc/84/60/82/758846082.db2.gz ONUWTAICTBABHE-UHFFFAOYSA-N 0 0 316.287 0.698 50 0 DCAARN CN1C(=O)CCC12CCN(S(=O)(=O)N1CCCCC1)CC2 ZINC000828256286 758965036 /nfs/dbraw/zinc/96/50/36/758965036.db2.gz NYHAJZNVROEIDG-UHFFFAOYSA-N 0 0 315.439 0.804 50 0 DCAARN O=C1CC[C@@H](N2CCCNC(=O)C2)CN1Cc1ccccc1 ZINC000828308680 758978050 /nfs/dbraw/zinc/97/80/50/758978050.db2.gz MDIKRRNQWGNYEC-OAHLLOKOSA-N 0 0 301.390 1.000 50 0 DCAARN CC(C)CNC(=O)N1CC(n2cc(C(=O)N3CCCC3)nn2)C1 ZINC000581810765 760254560 /nfs/dbraw/zinc/25/45/60/760254560.db2.gz VECFFPUZVSUQGR-UHFFFAOYSA-N 0 0 320.397 0.736 50 0 DCAARN O=C(NCC1CC1)c1cn(C2CN(C(=O)C3CCCC3)C2)nn1 ZINC000581810759 760254809 /nfs/dbraw/zinc/25/48/09/760254809.db2.gz ULOIGXOLENGNCV-UHFFFAOYSA-N 0 0 317.393 0.991 50 0 DCAARN CN(C)C(=O)c1cn(C2CN(C(=O)Cc3ccccc3)C2)nn1 ZINC000581810616 760255225 /nfs/dbraw/zinc/25/52/25/760255225.db2.gz FPHHDGYZFARMGJ-UHFFFAOYSA-N 0 0 313.361 0.606 50 0 DCAARN COC(=O)C1(CNC(=O)c2cnn3ccc(C=O)cc23)CC1 ZINC000585089369 766276461 /nfs/dbraw/zinc/27/64/61/766276461.db2.gz HPFOPECGUCLDBF-UHFFFAOYSA-N 0 0 301.302 0.830 50 0 DCAARN CC[C@@H]1C(=O)NCCN1Cc1cnc(Br)n1C ZINC000585117543 766286749 /nfs/dbraw/zinc/28/67/49/766286749.db2.gz KFLXEPVRWUUAJN-SECBINFHSA-N 0 0 301.188 0.893 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)Nc2cnc3ccnn3c2)[C@@H](C)C1 ZINC000585119918 766287472 /nfs/dbraw/zinc/28/74/72/766287472.db2.gz ZXVCDAHVJUWNBZ-NWDGAFQWSA-N 0 0 318.381 0.648 50 0 DCAARN CSC[C@@H](C)C(=O)NCCCn1cnc2c1ncnc2N ZINC000585130475 766291753 /nfs/dbraw/zinc/29/17/53/766291753.db2.gz RIBCOKCEKKWKAL-SECBINFHSA-N 0 0 308.411 0.914 50 0 DCAARN CCC1(CC)[C@H](NC(=O)CCCS(N)(=O)=O)C[C@@H]1OC ZINC000585135664 766292823 /nfs/dbraw/zinc/29/28/23/766292823.db2.gz VGOZGJRUGUXJSP-MNOVXSKESA-N 0 0 306.428 0.765 50 0 DCAARN O=C(CNC(=O)c1ccc(F)cc1)N[C@@H]1CCCC12OCCO2 ZINC000585131371 766292873 /nfs/dbraw/zinc/29/28/73/766292873.db2.gz TWCJJYSNTIZFKE-CYBMUJFWSA-N 0 0 322.336 0.967 50 0 DCAARN CCOC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@H]2CN(C)CCO2)[C@@H]1C ZINC000952876935 768941177 /nfs/dbraw/zinc/94/11/77/768941177.db2.gz ISJXUJXCZVLHCZ-REWJHTLYSA-N 0 0 312.410 0.896 50 0 DCAARN C[C@@H]1CN(c2nnnn2Cc2ccnn2C)CC2(CCCC2)O1 ZINC000952879495 768943532 /nfs/dbraw/zinc/94/35/32/768943532.db2.gz RJCZUHGRKCHPHJ-GFCCVEGCSA-N 0 0 317.397 0.993 50 0 DCAARN C1=C[C@@H](Cn2nnnc2N2CCN(c3ncccn3)CC2)CC1 ZINC000952879116 768943569 /nfs/dbraw/zinc/94/35/69/768943569.db2.gz NHKUVYDXHHCCAG-CYBMUJFWSA-N 0 0 312.381 0.756 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)Cc3cccnc3)C[C@@H]2O)[nH]n1 ZINC001529112044 1014496352 /nfs/dbraw/zinc/49/63/52/1014496352.db2.gz GGLWAHSIVKIDHF-HIFRSBDPSA-N 0 0 300.362 0.718 50 0 DCAARN CCn1nc(C)cc1C(=O)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001529105511 1014496498 /nfs/dbraw/zinc/49/64/98/1014496498.db2.gz DSKLQPOHJJGEOB-IUODEOHRSA-N 0 0 315.377 0.677 50 0 DCAARN CN(CCN1CCOCC1)c1cncc(C(=O)N2CCCC2)n1 ZINC001529125102 1014500779 /nfs/dbraw/zinc/50/07/79/1014500779.db2.gz JKWNWSZUWWXPAC-UHFFFAOYSA-N 0 0 319.409 0.481 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)Cn3nc(C)cc3C)C[C@@H]2O)[nH]n1 ZINC001529179368 1014513537 /nfs/dbraw/zinc/51/35/37/1014513537.db2.gz XCDGEDJHTALUTN-HIFRSBDPSA-N 0 0 317.393 0.593 50 0 DCAARN CC(C)N1C(=O)CO[C@H](C(=O)NCCCO)[C@H]1c1ccccc1 ZINC001529182582 1014515389 /nfs/dbraw/zinc/51/53/89/1014515389.db2.gz VAEMULQQQRVGHH-CVEARBPZSA-N 0 0 320.389 0.862 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cnc(C)cn3)C[C@H]2O)[nH]n1 ZINC001529195913 1014520128 /nfs/dbraw/zinc/52/01/28/1014520128.db2.gz QHVCRCZZUKLJMZ-BXUZGUMPSA-N 0 0 301.350 0.492 50 0 DCAARN CC(C)c1cc(C(=O)NCCc2noc(CO)n2)nc(N)n1 ZINC001506401536 1017256304 /nfs/dbraw/zinc/25/63/04/1017256304.db2.gz SXSIOBWQAPRQJH-UHFFFAOYSA-N 0 0 306.326 0.030 50 0 DCAARN COC[C@H]1CCCN(S(=O)(=O)N(C)Cc2nc(C)c[nH]2)C1 ZINC001506414169 1017262854 /nfs/dbraw/zinc/26/28/54/1017262854.db2.gz OWUQLOKIJURSCW-LBPRGKRZSA-N 0 0 316.427 0.753 50 0 DCAARN CCS(=O)(=O)CC(=O)N(C)Cc1nc(-c2ccccn2)no1 ZINC001506423337 1017265998 /nfs/dbraw/zinc/26/59/98/1017265998.db2.gz HPPWOCHUQLBNFY-UHFFFAOYSA-N 0 0 324.362 0.525 50 0 DCAARN Cc1ccc(CN(CCCO)C(=O)CNC(=O)N(C)C)cc1 ZINC001506419892 1017267233 /nfs/dbraw/zinc/26/72/33/1017267233.db2.gz LHJXEUADDHVPJP-UHFFFAOYSA-N 0 0 307.394 0.977 50 0 DCAARN CN(C)c1nccnc1N1CCC2(CC1)C(=O)N(C)C(=O)N2C ZINC001506420060 1017265132 /nfs/dbraw/zinc/26/51/32/1017265132.db2.gz RZMWHRNTPDSMAZ-UHFFFAOYSA-N 0 0 318.381 0.405 50 0 DCAARN O=C(CCC(=O)N1CCc2ccccc2C1)N1CCNC(=O)C1 ZINC000095473636 185372804 /nfs/dbraw/zinc/37/28/04/185372804.db2.gz KCNFQEQFWXIEES-UHFFFAOYSA-N 0 0 315.373 0.310 50 0 DCAARN CC(C)CCNC(=O)[C@H]1CCCN(c2ccc3nnnn3n2)C1 ZINC000095478782 185373697 /nfs/dbraw/zinc/37/36/97/185373697.db2.gz ZESKWTSDDUKOKM-LBPRGKRZSA-N 0 0 317.397 0.898 50 0 DCAARN Cc1nc2ccsc2c(N2CCC3(CC2)NC(N)=NC3=O)n1 ZINC000091494174 282094192 /nfs/dbraw/zinc/09/41/92/282094192.db2.gz OTSXQTZQUFNSRU-UHFFFAOYSA-N 0 0 316.390 0.783 50 0 DCAARN COC(=O)[C@@H](C)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000078970580 185137212 /nfs/dbraw/zinc/13/72/12/185137212.db2.gz VKRKFZXFZMVPBP-SNVBAGLBSA-N 0 0 302.325 0.957 50 0 DCAARN O=C(CN1CCCCCCC1=O)N[C@H](CO)Cc1ccncc1 ZINC000278714026 214348419 /nfs/dbraw/zinc/34/84/19/214348419.db2.gz TVSGQGYEPKFFRU-HNNXBMFYSA-N 0 0 319.405 0.894 50 0 DCAARN CS(=O)(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC000082230416 185174497 /nfs/dbraw/zinc/17/44/97/185174497.db2.gz VCLFXLUYDDQBOW-UHFFFAOYSA-N 0 0 311.411 0.158 50 0 DCAARN CCN(C(=O)Cn1cc(Br)c(=O)[nH]c1=O)C1CC1 ZINC000089960910 185272045 /nfs/dbraw/zinc/27/20/45/185272045.db2.gz BPLDQNMIPLOWGU-UHFFFAOYSA-N 0 0 316.155 0.310 50 0 DCAARN CCO[C@H]1C[C@@H](O)C12CCN(c1nccn3cnnc13)CC2 ZINC000095404358 185355345 /nfs/dbraw/zinc/35/53/45/185355345.db2.gz RROWUFNPGAOMKT-NEPJUHHUSA-N 0 0 303.366 0.881 50 0 DCAARN C[C@@H](C(=O)NC1CCCCC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000095407440 185356104 /nfs/dbraw/zinc/35/61/04/185356104.db2.gz QQUCQCWQLFPQTP-JQWIXIFHSA-N 0 0 308.382 0.060 50 0 DCAARN C[C@H](NC(=O)C(F)(F)C1(O)CCC1)C(=O)NCc1ccco1 ZINC000095435216 185364726 /nfs/dbraw/zinc/36/47/26/185364726.db2.gz ZBJFNXDYDXNFQV-VIFPVBQESA-N 0 0 316.304 0.951 50 0 DCAARN COC(=O)c1ccc(/C=C/C(=O)N2CC[C@@H](NC(N)=O)C2)cc1 ZINC000095447655 185367875 /nfs/dbraw/zinc/36/78/75/185367875.db2.gz UGULUEZBUGPMFU-WXJAXGNASA-N 0 0 317.345 0.756 50 0 DCAARN CC(C)[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000095465808 185371822 /nfs/dbraw/zinc/37/18/22/185371822.db2.gz NBQLCJOOTSPXOS-XQQFMLRXSA-N 0 0 306.428 0.697 50 0 DCAARN O=S(=O)(c1cnn([C@H]2CCOC2)c1)N1CCCC[C@@H]1CO ZINC000095461593 185371042 /nfs/dbraw/zinc/37/10/42/185371042.db2.gz JRMQEMWOOWXSDX-NEPJUHHUSA-N 0 0 315.395 0.380 50 0 DCAARN O=C(CNC(=O)c1c(F)c(F)cc(F)c1F)N1CCOCC1 ZINC000095463803 185371504 /nfs/dbraw/zinc/37/15/04/185371504.db2.gz WFCPYYXRFVKFQK-UHFFFAOYSA-N 0 0 320.242 0.832 50 0 DCAARN Cc1nnc([C@H](NS(=O)(=O)N2CCO[C@H](C)C2)C(C)C)[nH]1 ZINC000097011969 185396931 /nfs/dbraw/zinc/39/69/31/185396931.db2.gz DDSKDAQSXWPODA-MWLCHTKSSA-N 0 0 317.415 0.365 50 0 DCAARN COCCN(CC(C)C)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000097026886 185398820 /nfs/dbraw/zinc/39/88/20/185398820.db2.gz RTQJOMKFEQBIFM-SREVYHEPSA-N 0 0 323.393 0.228 50 0 DCAARN CN1C(=O)CN(NC(=O)Nc2cccnc2N2CCCC2)C1=O ZINC000095467243 185372168 /nfs/dbraw/zinc/37/21/68/185372168.db2.gz LCDVHWLBFGTADK-UHFFFAOYSA-N 0 0 318.337 0.612 50 0 DCAARN CC(=O)N1CCC2(CC1)CCN(C(=O)c1cnon1)C[C@H]2CO ZINC000097117572 185413172 /nfs/dbraw/zinc/41/31/72/185413172.db2.gz JSJIIEPEADARPW-LBPRGKRZSA-N 0 0 322.365 0.153 50 0 DCAARN COCCn1c(=O)c2ccccc2nc1C(=O)NC[C@@H](C)O ZINC000032124522 190657757 /nfs/dbraw/zinc/65/77/57/190657757.db2.gz PIHKFRZQXDGZPQ-SNVBAGLBSA-N 0 0 305.334 0.154 50 0 biogenic DCAARN CN(C)c1ncccc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000089322854 282325684 /nfs/dbraw/zinc/32/56/84/282325684.db2.gz IERJNQVRINLYMV-CYBMUJFWSA-N 0 0 304.394 0.694 50 0 DCAARN COC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000226088570 201766005 /nfs/dbraw/zinc/76/60/05/201766005.db2.gz VWTYEXYBSOPOCS-VIFPVBQESA-N 0 0 315.347 0.785 50 0 DCAARN O=S(=O)(NC1(c2nc[nH]n2)CCC1)c1ccc2c(c1)OCO2 ZINC000170619819 197793305 /nfs/dbraw/zinc/79/33/05/197793305.db2.gz DMGKGQPQBCYGNX-UHFFFAOYSA-N 0 0 322.346 0.891 50 0 DCAARN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1Cn1cccn1 ZINC000069742186 190812454 /nfs/dbraw/zinc/81/24/54/190812454.db2.gz RPYGDAZKECNSGC-QWHCGFSZSA-N 0 0 308.407 0.796 50 0 DCAARN CN(C)c1ccc(C(=O)N2CCN(CC(C)(C)O)CC2)cn1 ZINC000069948342 190840774 /nfs/dbraw/zinc/84/07/74/190840774.db2.gz BLWRNQVLRLYBCY-UHFFFAOYSA-N 0 0 306.410 0.676 50 0 DCAARN O=S(=O)(NCc1ccccc1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000071752648 191023893 /nfs/dbraw/zinc/02/38/93/191023893.db2.gz AGXLNOXLFKJGAI-LBPRGKRZSA-N 0 0 318.420 0.045 50 0 DCAARN CN(C[C@@H](O)CO)C(=O)c1cc(COc2cccc(F)c2)[nH]n1 ZINC000071765327 191027199 /nfs/dbraw/zinc/02/71/99/191027199.db2.gz QWDXXJHDAMTPCO-GFCCVEGCSA-N 0 0 323.324 0.553 50 0 DCAARN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CC(O)C1 ZINC000071764290 191028331 /nfs/dbraw/zinc/02/83/31/191028331.db2.gz PJCNCTZLFXDBEA-UHFFFAOYSA-N 0 0 308.769 0.866 50 0 DCAARN CCCC(=O)C(=O)NC[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000072120989 191040884 /nfs/dbraw/zinc/04/08/84/191040884.db2.gz WMLLCYXBBWKLRF-NSHDSACASA-N 0 0 306.366 0.092 50 0 DCAARN CN(C)C(=O)Cn1ncc(N(C)Cc2ccccc2)cc1=O ZINC000072146442 191053184 /nfs/dbraw/zinc/05/31/84/191053184.db2.gz VDHXGEOJLCIPCS-UHFFFAOYSA-N 0 0 300.362 0.968 50 0 DCAARN COc1cc(C)sc1C(=O)N1CCNC[C@H]1C(=O)NC1CC1 ZINC000072153901 191057990 /nfs/dbraw/zinc/05/79/90/191057990.db2.gz AUZRDLFFVWIEIA-NSHDSACASA-N 0 0 323.418 0.758 50 0 DCAARN COCC(=O)N1CCC[C@@H](C(=O)N2CC(c3ccncc3)C2)C1 ZINC000072154512 191058757 /nfs/dbraw/zinc/05/87/57/191058757.db2.gz FXPMXIIANQAEJH-CQSZACIVSA-N 0 0 317.389 0.892 50 0 DCAARN COCc1cc(CNc2nc(COC)nc3c2cnn3C)[nH]n1 ZINC000072140427 191048530 /nfs/dbraw/zinc/04/85/30/191048530.db2.gz BXNYEKPOOSGAEK-UHFFFAOYSA-N 0 0 317.353 0.991 50 0 DCAARN CCCN1C(=O)N[C@@H](CC(=O)N2CC(c3ccncc3)C2)C1=O ZINC000072161898 191062594 /nfs/dbraw/zinc/06/25/94/191062594.db2.gz TYOUQLYYUUOHSI-ZDUSSCGKSA-N 0 0 316.361 0.728 50 0 DCAARN O=S(=O)(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CCCC[C@@H]1O ZINC000072232507 191079696 /nfs/dbraw/zinc/07/96/96/191079696.db2.gz NKYYCXSMSVUJQB-QWHCGFSZSA-N 0 0 323.378 0.708 50 0 DCAARN COCCS(=O)(=O)N1CCC(NC(=O)C2CCC2)CC1 ZINC000072265433 191090067 /nfs/dbraw/zinc/09/00/67/191090067.db2.gz XXQOEQBMMUBYPT-UHFFFAOYSA-N 0 0 304.412 0.343 50 0 DCAARN Cc1cn2c(n1)CC[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C2 ZINC000072278936 191099794 /nfs/dbraw/zinc/09/97/94/191099794.db2.gz AWBFEVRWYXSXQQ-VXGBXAGGSA-N 0 0 311.407 0.447 50 0 DCAARN COc1c(CNCc2ccc(OCC(N)=O)cc2)c(C)nn1C ZINC000072280323 191101553 /nfs/dbraw/zinc/10/15/53/191101553.db2.gz XDZNPKWYFNIZET-UHFFFAOYSA-N 0 0 318.377 0.891 50 0 DCAARN C[C@H]1C(=O)N=C(CCNC(=O)c2ccoc2C2CC2)NC1=O ZINC000225625718 186284512 /nfs/dbraw/zinc/28/45/12/186284512.db2.gz JBBLUCUGOURBJB-UHFFFAOYSA-N 0 0 303.318 0.968 50 0 DCAARN O=C(NCCn1nnc2ccc(F)cc2c1=O)c1ccn[nH]1 ZINC000253394682 186304401 /nfs/dbraw/zinc/30/44/01/186304401.db2.gz BICLJOVQCRGGFY-UHFFFAOYSA-N 0 0 302.269 0.084 50 0 DCAARN CN(C)S(=O)(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000253398529 186306540 /nfs/dbraw/zinc/30/65/40/186306540.db2.gz XLYYARXCXRQVCP-AWEZNQCLSA-N 0 0 321.402 0.986 50 0 DCAARN C[C@@H](CNC(=O)Nc1ccn(CC(F)F)n1)N1CCOCC1 ZINC000072313319 191119274 /nfs/dbraw/zinc/11/92/74/191119274.db2.gz NDMWUTWJTPUYRJ-JTQLQIEISA-N 0 0 317.340 0.990 50 0 DCAARN O=C(CO)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000072412022 191155454 /nfs/dbraw/zinc/15/54/54/191155454.db2.gz CQBSTZQPQTWRDE-KRWDZBQOSA-N 0 0 317.389 0.805 50 0 DCAARN CSCC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 ZINC000072420465 191156365 /nfs/dbraw/zinc/15/63/65/191156365.db2.gz YKVDUDMVACPNBP-NWDGAFQWSA-N 0 0 300.424 0.571 50 0 DCAARN CN1C2=C(C(=O)N(CCO)C2)[C@@H](c2ccc(O)cc2)NC1=O ZINC000000118250 180698490 /nfs/dbraw/zinc/69/84/90/180698490.db2.gz KQEAJPVHZOLLAP-CYBMUJFWSA-N 0 0 303.318 0.177 50 0 DCAARN CCS(=O)(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000000120116 180699325 /nfs/dbraw/zinc/69/93/25/180699325.db2.gz YNLRQQPHNZRGRG-UHFFFAOYSA-N 0 0 312.391 0.803 50 0 DCAARN CCCCN1C(=O)CC[C@H]2CN(C(=O)Cn3cncn3)CC[C@H]21 ZINC000072453720 191171463 /nfs/dbraw/zinc/17/14/63/191171463.db2.gz IZYFSFSCPDVPSC-UONOGXRCSA-N 0 0 319.409 0.918 50 0 DCAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC[C@H]1CCCO1 ZINC000000532558 180815548 /nfs/dbraw/zinc/81/55/48/180815548.db2.gz QTHJGCUWPAAQCX-SNVBAGLBSA-N 0 0 324.358 0.126 50 0 DCAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCOCC3)=N2)cc1 ZINC000000537806 180816809 /nfs/dbraw/zinc/81/68/09/180816809.db2.gz ZPRVOQUDUBDQQR-ZDUSSCGKSA-N 0 0 316.361 0.510 50 0 DCAARN Cc1c(Cl)c(C(=O)NCCNC(=S)NC2CC2)nn1C ZINC000002745772 180951627 /nfs/dbraw/zinc/95/16/27/180951627.db2.gz USHQBPQDXJQTKY-UHFFFAOYSA-N 0 0 315.830 0.738 50 0 DCAARN CSCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000003418310 181016847 /nfs/dbraw/zinc/01/68/47/181016847.db2.gz BXDGTDVSHBJHTB-UHFFFAOYSA-N 0 0 302.421 0.746 50 0 DCAARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)NC(N)=O ZINC000003430752 181018839 /nfs/dbraw/zinc/01/88/39/181018839.db2.gz LZZCISVEQLHDKH-UHFFFAOYSA-N 0 0 313.335 0.675 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(=O)CC2)cc1 ZINC000003436445 181019521 /nfs/dbraw/zinc/01/95/21/181019521.db2.gz PWIQMNCMVNWUOR-UHFFFAOYSA-N 0 0 310.375 0.742 50 0 DCAARN Cn1c(N)c(C(=O)CSc2ccc(F)cc2)c(=O)n(C)c1=O ZINC000003532062 181030724 /nfs/dbraw/zinc/03/07/24/181030724.db2.gz IOPGQBOSYGIBRA-UHFFFAOYSA-N 0 0 323.349 0.780 50 0 DCAARN CCNC(=O)NC(=O)CSc1nnnn1-c1ccccc1 ZINC000003510512 181028511 /nfs/dbraw/zinc/02/85/11/181028511.db2.gz DFCVOSVPWARBEZ-UHFFFAOYSA-N 0 0 306.351 0.600 50 0 DCAARN CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccnc1OCC ZINC000003521062 181030012 /nfs/dbraw/zinc/03/00/12/181030012.db2.gz JUKAGGZHUVCHPI-SECBINFHSA-N 0 0 309.322 0.871 50 0 DCAARN CON(C)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 ZINC000004037181 181065613 /nfs/dbraw/zinc/06/56/13/181065613.db2.gz DYKMQEJMHDKNTR-LBPRGKRZSA-N 0 0 311.363 0.789 50 0 DCAARN CCCn1c(C)cn2c1nc1c2c(=O)n(CC(C)=O)c(=O)n1C ZINC000004314176 181096600 /nfs/dbraw/zinc/09/66/00/181096600.db2.gz PBVHLCZTABTLDD-UHFFFAOYSA-N 0 0 317.349 0.457 50 0 DCAARN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCNC2=O)c1C ZINC000004329035 181098763 /nfs/dbraw/zinc/09/87/63/181098763.db2.gz UTSRPCCSVNWRMS-UHFFFAOYSA-N 0 0 307.306 0.543 50 0 DCAARN Cc1cc(C)cc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000004338441 181099922 /nfs/dbraw/zinc/09/99/22/181099922.db2.gz BPRSWVDOHOPOBU-UHFFFAOYSA-N 0 0 324.358 0.469 50 0 DCAARN COc1cccc(N2C[C@@H](NC(=O)NC[C@@H](C)O)CC2=O)c1 ZINC000004373305 181103534 /nfs/dbraw/zinc/10/35/34/181103534.db2.gz PETSFAFAKNFJPF-MNOVXSKESA-N 0 0 307.350 0.481 50 0 DCAARN COCc1nnc(NC(=O)C[C@H]2CCS(=O)(=O)C2)s1 ZINC000004749920 181147662 /nfs/dbraw/zinc/14/76/62/181147662.db2.gz HSBNLSVJHCUXEM-SSDOTTSWSA-N 0 0 305.381 0.448 50 0 DCAARN CN1CCOc2ccc(NC(=O)N3CCNC3=O)cc2C1=O ZINC000096098405 283037258 /nfs/dbraw/zinc/03/72/58/283037258.db2.gz MLQCKOUJZLLDQW-UHFFFAOYSA-N 0 0 304.306 0.708 50 0 DCAARN COc1ccc(NC(=O)c2n[nH]c(-n3cnnc3)n2)c(OC)c1 ZINC000004772718 181150684 /nfs/dbraw/zinc/15/06/84/181150684.db2.gz DHXIBHOLNYVOMJ-UHFFFAOYSA-N 0 0 315.293 0.655 50 0 DCAARN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)cc1 ZINC000004778329 181151251 /nfs/dbraw/zinc/15/12/51/181151251.db2.gz UECYTTVGGRQEML-NSHDSACASA-N 0 0 312.391 0.971 50 0 DCAARN CCOC(=O)N1CCN(C(=O)c2c(C)cc(C)[nH]c2=O)CC1 ZINC000073480619 191318905 /nfs/dbraw/zinc/31/89/05/191318905.db2.gz CJHALGUUFFIDMY-UHFFFAOYSA-N 0 0 307.350 0.906 50 0 DCAARN CCCOCC(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000077408325 191711585 /nfs/dbraw/zinc/71/15/85/191711585.db2.gz DGPDOKKPUWOCTK-GFCCVEGCSA-N 0 0 308.382 0.149 50 0 DCAARN CCc1nc2ccccc2n1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000005265919 181224416 /nfs/dbraw/zinc/22/44/16/181224416.db2.gz NFEBRIMDMWDCDI-NSHDSACASA-N 0 0 321.402 0.902 50 0 DCAARN NC(=O)CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2 ZINC000005264079 181223600 /nfs/dbraw/zinc/22/36/00/181223600.db2.gz VLOWTCLYPHLUPD-UHFFFAOYSA-N 0 0 316.386 0.753 50 0 DCAARN O=C(NCc1ccco1)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000005353269 181233673 /nfs/dbraw/zinc/23/36/73/181233673.db2.gz ASLLAMMPILDYKC-LBPRGKRZSA-N 0 0 308.334 0.698 50 0 DCAARN CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1COCCN1 ZINC000237164895 202174049 /nfs/dbraw/zinc/17/40/49/202174049.db2.gz DLYZPNWXGMGDFI-HNNXBMFYSA-N 0 0 319.405 0.470 50 0 DCAARN C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2C)C1 ZINC000000614694 291117014 /nfs/dbraw/zinc/11/70/14/291117014.db2.gz KBLIGQYDSKDSEU-UWVGGRQHSA-N 0 0 305.382 0.453 50 0 DCAARN Cc1ccc([C@H](CNC(=O)c2[nH]nnc2C)N2CCOCC2)o1 ZINC000188492747 200255525 /nfs/dbraw/zinc/25/55/25/200255525.db2.gz XYAHAXXRSSNTMS-LBPRGKRZSA-N 0 0 319.365 0.818 50 0 DCAARN NS(=O)(=O)N1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000189021013 200337070 /nfs/dbraw/zinc/33/70/70/200337070.db2.gz YSPFEEOEXOKREW-UHFFFAOYSA-N 0 0 307.778 0.800 50 0 DCAARN Cc1nonc1C(=O)N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1 ZINC000243914930 202480989 /nfs/dbraw/zinc/48/09/89/202480989.db2.gz BKVIWHKLGJRIMI-KYZUINATSA-N 0 0 318.337 0.473 50 0 DCAARN CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1cnn(C)c1 ZINC000191551870 200720979 /nfs/dbraw/zinc/72/09/79/200720979.db2.gz FQJPEBZPXUETDT-UHFFFAOYSA-N 0 0 306.391 0.891 50 0 DCAARN NS(=O)(=O)CC1CCN(C(=O)N[C@H]2C=CCCC2)CC1 ZINC000192519780 200891986 /nfs/dbraw/zinc/89/19/86/200891986.db2.gz XGASIYHAWDGCFE-LBPRGKRZSA-N 0 0 301.412 0.805 50 0 DCAARN NC(=O)C1=NO[C@H](CNC(=O)c2n[nH]c3c2CCCCC3)C1 ZINC000194073700 201173734 /nfs/dbraw/zinc/17/37/34/201173734.db2.gz MVNJXDGGNXONBB-QMMMGPOBSA-N 0 0 305.338 0.039 50 0 DCAARN CCOC(=O)COc1ccccc1C=C1C(=O)N=C(N)N1C ZINC000006499506 181346593 /nfs/dbraw/zinc/34/65/93/181346593.db2.gz MUXISBVMDMGSAY-FLIBITNWSA-N 0 0 303.318 0.756 50 0 DCAARN C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000409413950 239276655 /nfs/dbraw/zinc/27/66/55/239276655.db2.gz XFZHTWDRWCEXRB-NXEZZACHSA-N 0 0 302.334 0.413 50 0 DCAARN O=c1cc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)[nH]c(=O)[nH]1 ZINC000006560090 181355047 /nfs/dbraw/zinc/35/50/47/181355047.db2.gz YVPKHFQVNQIXPE-UHFFFAOYSA-N 0 0 321.642 0.945 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C)on2)C1 ZINC000006743130 181381312 /nfs/dbraw/zinc/38/13/12/181381312.db2.gz DQEOKBFMWSUHDP-JTQLQIEISA-N 0 0 301.368 0.983 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)c3cnc(C)[nH]c3=O)nc2c1 ZINC000091289339 193031683 /nfs/dbraw/zinc/03/16/83/193031683.db2.gz ZSGRUWRXPFKVSN-UHFFFAOYSA-N 0 0 313.317 0.893 50 0 DCAARN CCC[C@H]1CN(c2cc(OC)nc(N)n2)C[C@@H]1NC(=O)COC ZINC000091643231 193084396 /nfs/dbraw/zinc/08/43/96/193084396.db2.gz KBMRBXOVUOYPII-QWRGUYRKSA-N 0 0 323.397 0.435 50 0 DCAARN Cc1nc(-c2cc(C)c(C)[nH]c2=O)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000091649830 193084904 /nfs/dbraw/zinc/08/49/04/193084904.db2.gz YHNBRGZKKBCILR-LLVKDONJSA-N 0 0 322.390 0.918 50 0 DCAARN O=C(NCCN1CCNC1=O)c1cccc(Cn2cccn2)c1 ZINC000091690081 193091545 /nfs/dbraw/zinc/09/15/45/193091545.db2.gz FCWJQXVSEDAEBB-UHFFFAOYSA-N 0 0 313.361 0.686 50 0 DCAARN CC(C)[C@H]1C[N@H+](CC(=O)[O-])C[C@@H]1NC(=O)Cc1cccnc1 ZINC000091713761 193095858 /nfs/dbraw/zinc/09/58/58/193095858.db2.gz FGLBXPOJXYFENS-KGLIPLIRSA-N 0 0 305.378 0.781 50 0 DCAARN CC[C@H](NC(=O)CN1C(=O)CNC1=O)c1nc(C)c(C)s1 ZINC000091818903 193112165 /nfs/dbraw/zinc/11/21/65/193112165.db2.gz QHBAVCSHQYIZCL-VIFPVBQESA-N 0 0 310.379 0.879 50 0 DCAARN COC(C)(C)C(=O)N[C@H]1CN(S(C)(=O)=O)C[C@@H]1C(C)C ZINC000091872230 193121498 /nfs/dbraw/zinc/12/14/98/193121498.db2.gz ILZYQMJNZXXSGL-MNOVXSKESA-N 0 0 306.428 0.444 50 0 DCAARN Cc1nccn1CCCC(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2O ZINC000091974240 193134631 /nfs/dbraw/zinc/13/46/31/193134631.db2.gz LLXWFSZNORYFFM-OKILXGFUSA-N 0 0 307.394 0.706 50 0 DCAARN O=C(NCCO)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000092002886 193139888 /nfs/dbraw/zinc/13/98/88/193139888.db2.gz ICBPVRWCLCWXFZ-OAHLLOKOSA-N 0 0 304.390 0.966 50 0 DCAARN Cc1cc(N)n(CC(=O)N2CCC[C@H](c3ccncn3)C2)n1 ZINC000215145464 201452211 /nfs/dbraw/zinc/45/22/11/201452211.db2.gz JKRXGJGDENXVMA-LBPRGKRZSA-N 0 0 300.366 0.970 50 0 DCAARN O=C([C@H](c1ccccc1)n1cnnn1)N1CCCn2cncc2C1 ZINC000072148317 296090844 /nfs/dbraw/zinc/09/08/44/296090844.db2.gz VUDYSQLDBWUCSB-HNNXBMFYSA-N 0 0 323.360 0.892 50 0 DCAARN O=C(COC[C@H]1CCCO1)NCc1nc(-c2cccnc2)no1 ZINC000219343813 201555215 /nfs/dbraw/zinc/55/52/15/201555215.db2.gz JFRQBFCLXQEWFY-GFCCVEGCSA-N 0 0 318.333 0.943 50 0 DCAARN Cc1cc(N)n(CC(=O)NCc2noc([C@H]3CCCO3)n2)n1 ZINC000219500944 201558879 /nfs/dbraw/zinc/55/88/79/201558879.db2.gz UCUKMOODHPOFPJ-SECBINFHSA-N 0 0 306.326 0.325 50 0 DCAARN Nc1nc(CCCNC(=O)C[C@H]2C=CS(=O)(=O)C2)cs1 ZINC000220377794 201573717 /nfs/dbraw/zinc/57/37/17/201573717.db2.gz GQUFUYWHHVBCKA-SECBINFHSA-N 0 0 315.420 0.723 50 0 DCAARN Cc1cn(CC(=O)N(Cc2nccs2)C2CC2)c(=O)[nH]c1=O ZINC000221348449 201588208 /nfs/dbraw/zinc/58/82/08/201588208.db2.gz ZTTUABQGWJYHLB-UHFFFAOYSA-N 0 0 320.374 0.493 50 0 DCAARN C[C@]1(NC(=O)c2nnc3n2CCCCC3)CCS(=O)(=O)C1 ZINC000215702204 291417944 /nfs/dbraw/zinc/41/79/44/291417944.db2.gz WKHPOXJDQOHVBF-ZDUSSCGKSA-N 0 0 312.395 0.312 50 0 DCAARN O=C(Cn1cnnn1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000223233331 201638800 /nfs/dbraw/zinc/63/88/00/201638800.db2.gz OPQMTBJCCQQAQT-NSHDSACASA-N 0 0 312.337 0.122 50 0 DCAARN CCO[C@H]1CN(C(=O)Cn2nc(C)c(C(C)=O)c2C)C[C@@H]1O ZINC000223671661 201653564 /nfs/dbraw/zinc/65/35/64/201653564.db2.gz RDPAMEHVAAUVKF-STQMWFEESA-N 0 0 309.366 0.311 50 0 DCAARN CS(=O)(=O)N1CCC(C(=O)NCCc2ccoc2)CC1 ZINC000096119250 193544911 /nfs/dbraw/zinc/54/49/11/193544911.db2.gz AFHLVUPZGMPOKZ-UHFFFAOYSA-N 0 0 300.380 0.610 50 0 DCAARN O=C(CSc1nnc(C2CC2)o1)N[C@@H]1CCS(=O)(=O)C1 ZINC000008245311 181539058 /nfs/dbraw/zinc/53/90/58/181539058.db2.gz SOVVTFWNVGUXIA-MRVPVSSYSA-N 0 0 317.392 0.342 50 0 DCAARN CCS(=O)(=O)NCCCn1nc(-c2ccco2)oc1=O ZINC000096494610 193671275 /nfs/dbraw/zinc/67/12/75/193671275.db2.gz WNTAEOXSXNESEN-UHFFFAOYSA-N 0 0 301.324 0.426 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)c2ccc[nH]2)c1 ZINC000009479627 181624432 /nfs/dbraw/zinc/62/44/32/181624432.db2.gz NQIXZKOLYPSOAU-UHFFFAOYSA-N 0 0 309.347 0.310 50 0 DCAARN CCNC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000009092690 181600797 /nfs/dbraw/zinc/60/07/97/181600797.db2.gz UTAUAYIEPPCBFD-OAHLLOKOSA-N 0 0 319.317 0.318 50 0 DCAARN CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1 ZINC000011566120 181693799 /nfs/dbraw/zinc/69/37/99/181693799.db2.gz VDVFEYHWONAASO-UHFFFAOYSA-N 0 0 300.355 0.987 50 0 DCAARN CC(=O)N[C@H](CC(=O)N1CCN(C(C)=O)CC1)c1ccccc1 ZINC000012744468 181792182 /nfs/dbraw/zinc/79/21/82/181792182.db2.gz DIDXXMWCLMVNPY-MRXNPFEDSA-N 0 0 317.389 0.945 50 0 DCAARN CCS(=O)(=O)N1CCc2cc(C(=O)N3CCOCC3)ccc21 ZINC000013610292 181868456 /nfs/dbraw/zinc/86/84/56/181868456.db2.gz RDHAOEZTBPPRHN-UHFFFAOYSA-N 0 0 324.402 0.871 50 0 DCAARN Cc1cnc2n(c1=O)[C@H](CC(=O)NC[C@H]1CCCO1)CS2 ZINC000014032019 181921221 /nfs/dbraw/zinc/92/12/21/181921221.db2.gz UCIKSRQITKYECZ-GHMZBOCLSA-N 0 0 309.391 0.884 50 0 DCAARN COC(=O)c1ccc(=O)n(CC(=O)NCc2ccccc2)c1 ZINC000014159522 181930658 /nfs/dbraw/zinc/93/06/58/181930658.db2.gz HPRGUMLJCKPHGT-UHFFFAOYSA-N 0 0 300.314 0.951 50 0 DCAARN CCNC(=O)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1 ZINC000015672348 182011664 /nfs/dbraw/zinc/01/16/64/182011664.db2.gz USLVSXKQIFWCEH-SECBINFHSA-N 0 0 309.395 0.770 50 0 DCAARN O=C(c1ccc(N2C(=O)CCS2(=O)=O)cc1)N1CCCC1 ZINC000015842430 182021608 /nfs/dbraw/zinc/02/16/08/182021608.db2.gz XKTLUZQSDWQRTI-UHFFFAOYSA-N 0 0 308.359 0.989 50 0 DCAARN CCNS(=O)(=O)c1ccc(OC)c(C(=O)NCCOC)c1 ZINC000016607401 182053477 /nfs/dbraw/zinc/05/34/77/182053477.db2.gz YMFCQJUWJXWGDQ-UHFFFAOYSA-N 0 0 316.379 0.370 50 0 DCAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)(C)CO)cc1 ZINC000017043624 182070685 /nfs/dbraw/zinc/07/06/85/182070685.db2.gz DYSLPAAKEYCEPL-UHFFFAOYSA-N 0 0 314.407 0.503 50 0 DCAARN Cc1nnc(SCC(=O)Nc2ccccc2C(N)=O)n1C ZINC000017031189 182069426 /nfs/dbraw/zinc/06/94/26/182069426.db2.gz USTUTPQUUFBXGY-UHFFFAOYSA-N 0 0 305.363 0.953 50 0 DCAARN COc1cc(C(=O)NCC(=O)NC(C)C)cc(OC)c1OC ZINC000017301043 182082256 /nfs/dbraw/zinc/08/22/56/182082256.db2.gz RJFSUIMMANKRGJ-UHFFFAOYSA-N 0 0 310.350 0.967 50 0 DCAARN O=C1NC[C@H](COc2ccc(OC[C@@H]3CNC(=O)O3)cc2)O1 ZINC000018116696 182093883 /nfs/dbraw/zinc/09/38/83/182093883.db2.gz JXSJXWVGTDQKEF-TXEJJXNPSA-N 0 0 308.290 0.661 50 0 DCAARN C[C@H]1CCCCN1CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 ZINC000018904345 182103016 /nfs/dbraw/zinc/10/30/16/182103016.db2.gz ISDUPXYUUHOCCO-JTQLQIEISA-N 0 0 318.377 0.697 50 0 DCAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccn(C)n2)cc1 ZINC000018948831 182103369 /nfs/dbraw/zinc/10/33/69/182103369.db2.gz GTTIRYCXIRQCRB-UHFFFAOYSA-N 0 0 322.390 0.988 50 0 DCAARN CCCc1ccc(OC[C@@H](O)CN2CCN(CCO)CC2)cc1 ZINC000019771039 182145302 /nfs/dbraw/zinc/14/53/02/182145302.db2.gz XAHZYJGMXUKMTQ-KRWDZBQOSA-N 0 0 322.449 0.989 50 0 DCAARN CCS(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019840616 182155617 /nfs/dbraw/zinc/15/56/17/182155617.db2.gz FXGGTZQOXPQMDX-UHFFFAOYSA-N 0 0 312.391 0.883 50 0 DCAARN O=C(Cn1ncc(N2CCCC2)cc1=O)N[C@@H]1CCCOC1 ZINC000019866688 182157869 /nfs/dbraw/zinc/15/78/69/182157869.db2.gz LZAHJHSKMYJIGH-GFCCVEGCSA-N 0 0 306.366 0.139 50 0 DCAARN COc1ccc2[nH]cc(C(=O)CN3CCN(CCO)CC3)c2c1 ZINC000019940121 182168143 /nfs/dbraw/zinc/16/81/43/182168143.db2.gz ZGRJKKAAFFRCGW-UHFFFAOYSA-N 0 0 317.389 0.969 50 0 DCAARN O=C(Cn1c2ccccc2c2cn[nH]c(=O)c21)N1CCOCC1 ZINC000020416249 182215776 /nfs/dbraw/zinc/21/57/76/182215776.db2.gz DQYFMTMYGOIZOU-UHFFFAOYSA-N 0 0 312.329 0.737 50 0 DCAARN COCCNS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000020491679 182223730 /nfs/dbraw/zinc/22/37/30/182223730.db2.gz AZZHPVLDDCYKOH-UHFFFAOYSA-N 0 0 300.336 0.251 50 0 DCAARN C[C@@H](NC(=O)c1nccnc1N)c1ccc(S(C)(=O)=O)cc1 ZINC000021415904 182273944 /nfs/dbraw/zinc/27/39/44/182273944.db2.gz QJEHBZJGFBTBCM-SECBINFHSA-N 0 0 320.374 0.953 50 0 DCAARN O=C(NCCN1CCOCC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000021346345 182272572 /nfs/dbraw/zinc/27/25/72/182272572.db2.gz FBTLBMVRGXSPAM-CQSZACIVSA-N 0 0 317.389 0.488 50 0 DCAARN CN1C(=O)[C@@H](CC(=O)NCCCc2ccc(O)cc2)N(C)C1=O ZINC000097815351 193759920 /nfs/dbraw/zinc/75/99/20/193759920.db2.gz SSSNNIQDIVLYDG-CYBMUJFWSA-N 0 0 319.361 0.724 50 0 DCAARN CCOC(=O)c1c(C)[nH]c(C(=O)NCCN2CCOCC2)c1C ZINC000022015502 182303903 /nfs/dbraw/zinc/30/39/03/182303903.db2.gz NWOSXTVZHMVRSD-UHFFFAOYSA-N 0 0 323.393 0.870 50 0 DCAARN O=C([C@@H]1CCC(=O)N1)N1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000072148073 284460472 /nfs/dbraw/zinc/46/04/72/284460472.db2.gz KALGLTSCDCUJEE-ZDUSSCGKSA-N 0 0 313.357 0.778 50 0 DCAARN COc1cc(C)c(CN2CCN(C[C@@H](O)CO)CC2)cc1OC ZINC000022780800 182333694 /nfs/dbraw/zinc/33/36/94/182333694.db2.gz FVKVSBKVYGIOQT-OAHLLOKOSA-N 0 0 324.421 0.483 50 0 DCAARN Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1NC[C@H]1CCCO1 ZINC000022767672 182334091 /nfs/dbraw/zinc/33/40/91/182334091.db2.gz NWCGBDQVZJCSDO-SNVBAGLBSA-N 0 0 304.350 0.532 50 0 DCAARN O=C(NC1CCN(C(=O)c2ccoc2)CC1)C1=COCCO1 ZINC000022900622 182340050 /nfs/dbraw/zinc/34/00/50/182340050.db2.gz PNZNQJWIAAKLDG-UHFFFAOYSA-N 0 0 306.318 0.889 50 0 DCAARN Cc1cccc(S(=O)(=O)NCCCn2ncccc2=O)c1 ZINC000023241937 182353497 /nfs/dbraw/zinc/35/34/97/182353497.db2.gz KNXOVJIQJQSXBP-UHFFFAOYSA-N 0 0 307.375 0.920 50 0 DCAARN CCC(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 ZINC000023232473 182353548 /nfs/dbraw/zinc/35/35/48/182353548.db2.gz NTZXPIBOFMUIQD-UHFFFAOYSA-N 0 0 318.356 0.856 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCCn2ncccc2=O)cc1 ZINC000023241939 182353855 /nfs/dbraw/zinc/35/38/55/182353855.db2.gz HZBMPLSXOUGPMX-UHFFFAOYSA-N 0 0 307.375 0.920 50 0 DCAARN COCCNC(=O)CN1CCN(Cc2ccc(F)cc2)CC1 ZINC000023304029 182356726 /nfs/dbraw/zinc/35/67/26/182356726.db2.gz CINNUQLMBYOITQ-UHFFFAOYSA-N 0 0 309.385 0.706 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000023746891 182367277 /nfs/dbraw/zinc/36/72/77/182367277.db2.gz OSFAQKADMPMKRD-AWEZNQCLSA-N 0 0 317.389 0.282 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000023746894 182367579 /nfs/dbraw/zinc/36/75/79/182367579.db2.gz OSFAQKADMPMKRD-CQSZACIVSA-N 0 0 317.389 0.282 50 0 DCAARN O=C(COc1cccnc1)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000023431030 182360708 /nfs/dbraw/zinc/36/07/08/182360708.db2.gz IXTGANFVTYOJMU-GFCCVEGCSA-N 0 0 314.345 0.950 50 0 DCAARN Cc1nnc(NC(=O)CCn2nnc3ccccc3c2=O)s1 ZINC000023625967 182364668 /nfs/dbraw/zinc/36/46/68/182364668.db2.gz AMCQNCPHXLLODN-UHFFFAOYSA-N 0 0 316.346 0.980 50 0 DCAARN C[C@H](NC(=O)c1ccco1)C(=O)NCc1nnc2ccccn21 ZINC000023644654 182365411 /nfs/dbraw/zinc/36/54/11/182365411.db2.gz JHYAOPUHFXDFBH-JTQLQIEISA-N 0 0 313.317 0.757 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)NCCCCc1ccccc1 ZINC000024758276 182390172 /nfs/dbraw/zinc/39/01/72/182390172.db2.gz APNNIFPTFMAJRL-UHFFFAOYSA-N 0 0 301.346 0.676 50 0 DCAARN CC(=O)N[C@@H](C)C(=O)NCc1ccccc1CN1CCOCC1 ZINC000024378750 182380008 /nfs/dbraw/zinc/38/00/08/182380008.db2.gz HLKQNMWJOIIRJM-ZDUSSCGKSA-N 0 0 319.405 0.660 50 0 DCAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)C1=NN(C)C(=O)CC1 ZINC000024661313 182387061 /nfs/dbraw/zinc/38/70/61/182387061.db2.gz WRABPUVDGSBSCP-LLVKDONJSA-N 0 0 317.345 0.893 50 0 DCAARN CC[C@@H]1CN(C(=O)Cn2c3ccccc3n(C)c2=O)CCO1 ZINC000030851507 182599674 /nfs/dbraw/zinc/59/96/74/182599674.db2.gz AYBSLKGYXBUHMQ-GFCCVEGCSA-N 0 0 303.362 0.977 50 0 DCAARN O=C(CCNC(=O)C1CCCC1)NCCNc1cnccn1 ZINC000030881820 182600943 /nfs/dbraw/zinc/60/09/43/182600943.db2.gz UAMIKOIWQFKTFG-UHFFFAOYSA-N 0 0 305.382 0.701 50 0 DCAARN CCONC(=O)c1ccc(S(=O)(=O)NCCOC)cc1 ZINC000032907425 182677783 /nfs/dbraw/zinc/67/77/83/182677783.db2.gz LDFRYOPUBMITES-UHFFFAOYSA-N 0 0 302.352 0.293 50 0 DCAARN COC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000032795765 182665078 /nfs/dbraw/zinc/66/50/78/182665078.db2.gz ILSXJYKYZCTQTI-CYBMUJFWSA-N 0 0 316.357 0.817 50 0 DCAARN CC(=O)Nc1nnc(S(=O)(=O)N2CCC(C)CC2)s1 ZINC000036182540 182808829 /nfs/dbraw/zinc/80/88/29/182808829.db2.gz QIKVWPUTUATTCS-UHFFFAOYSA-N 0 0 304.397 0.917 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2c(c(Cl)c1)OCO2 ZINC000040467996 183073581 /nfs/dbraw/zinc/07/35/81/183073581.db2.gz KQMYNANLKINUJG-MRVPVSSYSA-N 0 0 317.750 0.986 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000040467983 183073650 /nfs/dbraw/zinc/07/36/50/183073650.db2.gz YUOXVMJLKQPSFV-PWSUYJOCSA-N 0 0 309.343 0.071 50 0 DCAARN CNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000040476267 183074863 /nfs/dbraw/zinc/07/48/63/183074863.db2.gz LQUORXYLBOYUOY-UHFFFAOYSA-N 0 0 313.379 0.341 50 0 DCAARN C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)CC(=O)NC(C)(C)C ZINC000040477296 183075052 /nfs/dbraw/zinc/07/50/52/183075052.db2.gz BFXJLMZLLCLNDT-VIFPVBQESA-N 0 0 309.418 0.427 50 0 DCAARN O=C(NCc1nnc2n1CCC2)[C@H]1CC(=O)Nc2ccccc21 ZINC000040481101 183076675 /nfs/dbraw/zinc/07/66/75/183076675.db2.gz MSVNYIWBSCDUNF-NSHDSACASA-N 0 0 311.345 0.967 50 0 DCAARN O=C1NC(=O)C2(CCN(S(=O)(=O)c3ccccc3)CC2)N1 ZINC000040481178 183076863 /nfs/dbraw/zinc/07/68/63/183076863.db2.gz NAZVDOOBSREVMP-UHFFFAOYSA-N 0 0 309.347 0.049 50 0 DCAARN C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(=O)[nH]c2)C[C@H](C)O1 ZINC000040489226 183079260 /nfs/dbraw/zinc/07/92/60/183079260.db2.gz BGLPOGLYAJILTC-RYUDHWBXSA-N 0 0 307.394 0.993 50 0 DCAARN CC[C@H]1CN(C(=O)CCn2nnc3ccccc3c2=O)CCO1 ZINC000040497525 183081898 /nfs/dbraw/zinc/08/18/98/183081898.db2.gz BMFDBVSKXJGPNO-LBPRGKRZSA-N 0 0 316.361 0.819 50 0 DCAARN COCC(=O)N1CCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC000040540682 183097223 /nfs/dbraw/zinc/09/72/23/183097223.db2.gz NPGQOTAJRJEMBV-UHFFFAOYSA-N 0 0 315.377 0.558 50 0 DCAARN C[C@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)c1nncn1C ZINC000040539995 183097260 /nfs/dbraw/zinc/09/72/60/183097260.db2.gz GOBKPIBYMUQOPU-UWVGGRQHSA-N 0 0 300.384 0.284 50 0 DCAARN C[C@H]1CCCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)C1 ZINC000040543315 183099329 /nfs/dbraw/zinc/09/93/29/183099329.db2.gz QPEDQTHQRVSDCQ-NSHDSACASA-N 0 0 312.391 0.971 50 0 DCAARN CCC(=O)c1ccc(OCC(=O)NCCS(C)(=O)=O)cc1 ZINC000042126031 183234026 /nfs/dbraw/zinc/23/40/26/183234026.db2.gz UPLNWMMDIQOPGB-UHFFFAOYSA-N 0 0 313.375 0.819 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc2nsnc2c1 ZINC000042383733 183262435 /nfs/dbraw/zinc/26/24/35/183262435.db2.gz MDQBERRKXNPXIP-QMMMGPOBSA-N 0 0 311.388 0.856 50 0 DCAARN CCCCN(C(=O)COC)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000042683203 183296518 /nfs/dbraw/zinc/29/65/18/183296518.db2.gz KIUCSZDCWYYPLU-UHFFFAOYSA-N 0 0 312.370 0.308 50 0 DCAARN CCOCC(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000044227084 183399369 /nfs/dbraw/zinc/39/93/69/183399369.db2.gz FTVIFCXTXWTDFQ-UHFFFAOYSA-N 0 0 315.414 0.692 50 0 DCAARN C[C@@H](C(=O)NC[C@H]1CCCO1)n1nnc2ccccc2c1=O ZINC000044450447 183410008 /nfs/dbraw/zinc/41/00/08/183410008.db2.gz REKHINOJSRCMOE-WDEREUQCSA-N 0 0 302.334 0.648 50 0 DCAARN O=C(NCc1ccc(Cn2cncn2)cc1)[C@@H]1CCC(=O)NC1 ZINC000047798880 183604927 /nfs/dbraw/zinc/60/49/27/183604927.db2.gz XJEAPEOMSVHYML-CQSZACIVSA-N 0 0 313.361 0.469 50 0 DCAARN O=C(NCc1cc[nH]n1)NC[C@@H](O)COc1cccc(F)c1 ZINC000048254104 183632837 /nfs/dbraw/zinc/63/28/37/183632837.db2.gz RRQVJIGVJUOXIM-GFCCVEGCSA-N 0 0 308.313 0.788 50 0 DCAARN CC(C)CN1C[C@H](C(=O)N[C@H](C)c2nnc3n2CCC3)CC1=O ZINC000048253507 183633120 /nfs/dbraw/zinc/63/31/20/183633120.db2.gz YSDGKYDPVSZEDC-VXGBXAGGSA-N 0 0 319.409 0.906 50 0 DCAARN COC(=O)CNc1cc(N2CCCS2(=O)=O)ccc1F ZINC000049236416 183721158 /nfs/dbraw/zinc/72/11/58/183721158.db2.gz VSYGLYSZLMIJAZ-UHFFFAOYSA-N 0 0 302.327 0.951 50 0 DCAARN O=C(c1ncccc1O)N1CCCO[C@@H](Cn2cccn2)C1 ZINC000215107580 296305574 /nfs/dbraw/zinc/30/55/74/296305574.db2.gz RPHJKXMGCPFOIB-GFCCVEGCSA-N 0 0 302.334 0.915 50 0 DCAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccnc1)N1CCCCO1 ZINC000055359058 183981917 /nfs/dbraw/zinc/98/19/17/183981917.db2.gz XYWLOZUEDOWYQT-AWEZNQCLSA-N 0 0 318.377 0.326 50 0 DCAARN O=C(CCC(=O)NC1CCCC1)NC[C@H]1CCS(=O)(=O)C1 ZINC000055393179 183984486 /nfs/dbraw/zinc/98/44/86/183984486.db2.gz GXEGOKXMKOMWHG-LLVKDONJSA-N 0 0 316.423 0.376 50 0 DCAARN CN(Cc1ccc2c(c1)OCO2)Cc1cc(=O)n(C)c(=O)n1C ZINC000056635859 184016429 /nfs/dbraw/zinc/01/64/29/184016429.db2.gz LTZIXJXFLSESML-UHFFFAOYSA-N 0 0 317.345 0.445 50 0 DCAARN CCCn1nc(C(=O)NC(C)(C)C(N)=O)c2ccccc2c1=O ZINC000057050854 184025845 /nfs/dbraw/zinc/02/58/45/184025845.db2.gz QSZFAOJIRLGGSS-UHFFFAOYSA-N 0 0 316.361 0.800 50 0 DCAARN CN1C[C@H](C(=O)NCCc2cc(F)cc3c2OCOC3)CC1=O ZINC000057265050 184031184 /nfs/dbraw/zinc/03/11/84/184031184.db2.gz DUAXACSWDVNMHM-LLVKDONJSA-N 0 0 322.336 0.829 50 0 DCAARN COC(=O)c1c(C)[nH]c(C(=O)CN2CCC(C(N)=O)CC2)c1C ZINC000058167693 184083747 /nfs/dbraw/zinc/08/37/47/184083747.db2.gz UDVDQIRUWICZCA-UHFFFAOYSA-N 0 0 321.377 0.798 50 0 DCAARN CC1CCN(C(=O)Cn2c(=O)onc2-c2ncccn2)CC1 ZINC000058292729 184101294 /nfs/dbraw/zinc/10/12/94/184101294.db2.gz KLAZYFYGWGRVET-UHFFFAOYSA-N 0 0 303.322 0.552 50 0 DCAARN C[C@H]1CCCC[C@H]1NC(=O)Cn1c(=O)onc1-c1ncccn1 ZINC000058293039 184101542 /nfs/dbraw/zinc/10/15/42/184101542.db2.gz TTWKOBHYIHKTMR-WDEREUQCSA-N 0 0 317.349 0.988 50 0 DCAARN CCS(=O)(=O)NCCNC(=O)c1cc2ccccc2[nH]c1=O ZINC000058308807 184103607 /nfs/dbraw/zinc/10/36/07/184103607.db2.gz UFQSGGGQPZVGBA-UHFFFAOYSA-N 0 0 323.374 0.197 50 0 DCAARN CN(CCOc1ccccc1)CC(=O)N[C@H]1CCCCNC1=O ZINC000058331145 184106709 /nfs/dbraw/zinc/10/67/09/184106709.db2.gz ULCARJMRAJLSHZ-HNNXBMFYSA-N 0 0 319.405 0.782 50 0 DCAARN CCN(CC)S(=O)(=O)NCC(=O)NCCc1ccccc1 ZINC000058501247 184120256 /nfs/dbraw/zinc/12/02/56/184120256.db2.gz VXHFQBWZTMQVNF-UHFFFAOYSA-N 0 0 313.423 0.522 50 0 DCAARN C[C@@H]1C[C@H](OC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C(=O)O1 ZINC000061308635 184168529 /nfs/dbraw/zinc/16/85/29/184168529.db2.gz WWAUVLAYXACZBH-WYUUTHIRSA-N 0 0 323.345 0.799 50 0 DCAARN Cc1nnc(CNC(=O)C2CN(C(=O)c3cccs3)C2)o1 ZINC000062022617 184201918 /nfs/dbraw/zinc/20/19/18/184201918.db2.gz WDESSSCNGQULMF-UHFFFAOYSA-N 0 0 306.347 0.828 50 0 DCAARN CS(=O)(=O)CCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000062092957 184205585 /nfs/dbraw/zinc/20/55/85/184205585.db2.gz PSWXDJJVCIUZGC-UHFFFAOYSA-N 0 0 314.382 0.909 50 0 DCAARN CCn1c2c(ccn2CC(=O)NC2CC2)c(=O)n(CC)c1=O ZINC000065030843 184309036 /nfs/dbraw/zinc/30/90/36/184309036.db2.gz VPGRUBGTAZRGCF-UHFFFAOYSA-N 0 0 304.350 0.283 50 0 DCAARN CCCn1c(=O)c2nscc2n(CC(=O)NC(C)C)c1=O ZINC000065185009 184314079 /nfs/dbraw/zinc/31/40/79/184314079.db2.gz XKNFNGJUPTVJEG-UHFFFAOYSA-N 0 0 310.379 0.554 50 0 DCAARN CCn1nc2ccc(S(=O)(=O)N3CCCCC3)cn2c1=O ZINC000065198680 184314370 /nfs/dbraw/zinc/31/43/70/184314370.db2.gz PDIXIZRCYDJVGB-UHFFFAOYSA-N 0 0 310.379 0.691 50 0 DCAARN Cc1nc(C(=O)NCCS(=O)(=O)N2CCCC2)cs1 ZINC000065385445 184333031 /nfs/dbraw/zinc/33/30/31/184333031.db2.gz NWLYAVALEAOQLT-UHFFFAOYSA-N 0 0 303.409 0.607 50 0 DCAARN CC(C)(NC(=O)C1CCC1)c1nc2c(c(C(N)=O)n1)OCCO2 ZINC000065293243 184323713 /nfs/dbraw/zinc/32/37/13/184323713.db2.gz ZHZZIHRZAFDYLA-UHFFFAOYSA-N 0 0 320.349 0.498 50 0 DCAARN Cc1nc(C)c(C(=O)N2CCn3c(C(N)=O)cnc3C2)s1 ZINC000065381384 184332127 /nfs/dbraw/zinc/33/21/27/184332127.db2.gz MLPHVRPVEFYTEW-UHFFFAOYSA-N 0 0 305.363 0.711 50 0 DCAARN COCCN1CCC[C@@H]1CNS(=O)(=O)c1c(C)noc1C ZINC000065493786 184354234 /nfs/dbraw/zinc/35/42/34/184354234.db2.gz JVTJSAVWSYKFPE-GFCCVEGCSA-N 0 0 317.411 0.681 50 0 DCAARN NS(=O)(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000065429351 184343342 /nfs/dbraw/zinc/34/33/42/184343342.db2.gz IPVWAZOVDVBUTI-UHFFFAOYSA-N 0 0 301.343 0.223 50 0 DCAARN CCC(=O)N[C@@H]1CCCN(Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000065433605 184344369 /nfs/dbraw/zinc/34/43/69/184344369.db2.gz FRQHGCPHHFJHRJ-SNVBAGLBSA-N 0 0 318.381 0.147 50 0 DCAARN COC(=O)CSc1nnnn1-c1cc(OC)ccc1OC ZINC000065489072 184353278 /nfs/dbraw/zinc/35/32/78/184353278.db2.gz CGTKKODATYTKFJ-UHFFFAOYSA-N 0 0 310.335 0.945 50 0 DCAARN CC(C)OC(=O)CNC(=O)CCNC(=O)OCC(F)(F)F ZINC000065487905 184353301 /nfs/dbraw/zinc/35/33/01/184353301.db2.gz GTQAAUZTMPDTSK-UHFFFAOYSA-N 0 0 314.260 0.733 50 0 DCAARN Cn1cnnc1[C@H]1CCCN(C(=O)N[C@@H]2CCCCNC2=O)C1 ZINC000065553421 184365353 /nfs/dbraw/zinc/36/53/53/184365353.db2.gz TYMNPMWQANAOCB-NWDGAFQWSA-N 0 0 320.397 0.373 50 0 DCAARN O=C(NCCNc1ccc2nnnn2n1)c1ccc(F)cc1F ZINC000065566290 184366899 /nfs/dbraw/zinc/36/68/99/184366899.db2.gz COUZBONYZNXRBS-UHFFFAOYSA-N 0 0 319.275 0.639 50 0 DCAARN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000065575040 184367605 /nfs/dbraw/zinc/36/76/05/184367605.db2.gz BCHVLPFILJITDN-SNVBAGLBSA-N 0 0 311.382 0.638 50 0 DCAARN CCNC(=O)CNC(=O)C(=O)Nc1cccc2ccc(C)nc21 ZINC000065621588 184374693 /nfs/dbraw/zinc/37/46/93/184374693.db2.gz GNNMRPMJKDUNPH-UHFFFAOYSA-N 0 0 314.345 0.734 50 0 DCAARN COCCN1CCN(Cc2ncc(CN(C)C)s2)CC1=O ZINC000328593532 532969432 /nfs/dbraw/zinc/96/94/32/532969432.db2.gz FSHICBZLHZBSTB-UHFFFAOYSA-N 0 0 312.439 0.495 50 0 DCAARN COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc2nnc(C)n2c1 ZINC000344629420 253809530 /nfs/dbraw/zinc/80/95/30/253809530.db2.gz MXYBMUNRYHSHER-QWHCGFSZSA-N 0 0 304.350 0.914 50 0 DCAARN O=C(Cc1c[nH]c2ncccc12)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000158102067 197244029 /nfs/dbraw/zinc/24/40/29/197244029.db2.gz KUEWJTAYZJVAME-LBPRGKRZSA-N 0 0 312.329 0.512 50 0 DCAARN Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2cc(F)c[nH]2)cn1 ZINC000349619124 254289044 /nfs/dbraw/zinc/28/90/44/254289044.db2.gz XQPILZRBVIGJER-LAJNKCICSA-N 0 0 310.354 0.833 50 0 DCAARN C[C@@H](NC(=O)NCCCN1CCCC1=O)C(=O)NC1CCCC1 ZINC000058158287 256537878 /nfs/dbraw/zinc/53/78/78/256537878.db2.gz LZPGIRHFAAMYGK-GFCCVEGCSA-N 0 0 324.425 0.745 50 0 DCAARN COCC(=O)N1CCCN(C(=O)CCCn2ccnc2)CC1 ZINC000244673880 256605140 /nfs/dbraw/zinc/60/51/40/256605140.db2.gz HXIYIDIDRIRSTB-UHFFFAOYSA-N 0 0 308.382 0.371 50 0 DCAARN O=C(Nc1nncs1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000073516208 257213583 /nfs/dbraw/zinc/21/35/83/257213583.db2.gz QJHOCPAGUHZUDH-JTQLQIEISA-N 0 0 301.335 0.947 50 0 DCAARN COc1ccc(NC2=CC(=O)NC2)cc1N1CCCS1(=O)=O ZINC000524733959 257213932 /nfs/dbraw/zinc/21/39/32/257213932.db2.gz IPXXSJIPTGOSJK-UHFFFAOYSA-N 0 0 323.374 0.661 50 0 DCAARN C[C@@H]1C[C@H]1C(=O)N1CC(CS(=O)(=O)NCc2ccco2)C1 ZINC000521398236 257239981 /nfs/dbraw/zinc/23/99/81/257239981.db2.gz DKCMREYGFHCFHL-ZWNOBZJWSA-N 0 0 312.391 0.813 50 0 DCAARN Cc1ncsc1CCCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000426726933 257243404 /nfs/dbraw/zinc/24/34/04/257243404.db2.gz SLOUBPBZFNKLHV-JTQLQIEISA-N 0 0 302.421 0.935 50 0 DCAARN O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(Cn2ccnc2)CC1 ZINC000426707535 257243525 /nfs/dbraw/zinc/24/35/25/257243525.db2.gz WRRFWUMEHOXCGT-CYBMUJFWSA-N 0 0 311.407 0.556 50 0 DCAARN CCc1nc(CNC(=O)N2CCN(CCSC)CC2)no1 ZINC000426690231 257244473 /nfs/dbraw/zinc/24/44/73/257244473.db2.gz FHEKGTXZUGMOBA-UHFFFAOYSA-N 0 0 313.427 0.822 50 0 DCAARN Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000426581361 257245924 /nfs/dbraw/zinc/24/59/24/257245924.db2.gz XOLXTMWAMJLARA-LBPRGKRZSA-N 0 0 313.423 0.852 50 0 DCAARN CC(=O)N[C@@H]1CCN(C(=O)NCCSc2n[nH]c(C)n2)C1 ZINC000426597178 257246228 /nfs/dbraw/zinc/24/62/28/257246228.db2.gz DZJKSZPOIDLOOB-SNVBAGLBSA-N 0 0 312.399 0.125 50 0 DCAARN NC(=O)c1cccnc1N1CCC[C@H](c2ccn(CCO)n2)C1 ZINC000426545258 257246699 /nfs/dbraw/zinc/24/66/99/257246699.db2.gz ZCXPZDYVXRGQOE-LBPRGKRZSA-N 0 0 315.377 0.753 50 0 DCAARN CC[NH+](CC)[C@@H](CNC(=O)Cc1n[nH]c(=O)[n-]1)c1ccco1 ZINC000426562838 257246779 /nfs/dbraw/zinc/24/67/79/257246779.db2.gz GHGOSCWJOJJLDR-JTQLQIEISA-N 0 0 307.354 0.845 50 0 DCAARN CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)CCn3cncn3)[C@H]2C1 ZINC000426490377 257248382 /nfs/dbraw/zinc/24/83/82/257248382.db2.gz BVOWQKULZYOYND-VNHYZAJKSA-N 0 0 308.382 0.853 50 0 DCAARN CN1CCN(CC(=O)NCCc2nc3c(s2)CCC3)C1=O ZINC000426497366 257248599 /nfs/dbraw/zinc/24/85/99/257248599.db2.gz QPFMYXXUCVBSBW-UHFFFAOYSA-N 0 0 308.407 0.658 50 0 DCAARN Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2ccon2)[C@H](O)C1 ZINC000426490277 257249081 /nfs/dbraw/zinc/24/90/81/257249081.db2.gz VVYYMDKHXGGPIN-TZMCWYRMSA-N 0 0 320.349 0.645 50 0 DCAARN CN(Cc1n[nH]c(=O)[n-]1)C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000426431934 257250149 /nfs/dbraw/zinc/25/01/49/257250149.db2.gz NSDPQPBAIBIAHT-NWDGAFQWSA-N 0 0 322.413 0.916 50 0 DCAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)CN1C(=O)CN(C)C1=O ZINC000426465399 257250377 /nfs/dbraw/zinc/25/03/77/257250377.db2.gz BXRLAEJIPFZUTR-LLVKDONJSA-N 0 0 320.349 0.849 50 0 DCAARN Cc1cc(=O)c(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)c(C)[nH]1 ZINC000426445508 257250586 /nfs/dbraw/zinc/25/05/86/257250586.db2.gz JAICXXNHFLORFY-KBPBESRZSA-N 0 0 319.405 0.975 50 0 DCAARN Cc1cncnc1C1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000426414793 257251597 /nfs/dbraw/zinc/25/15/97/257251597.db2.gz VBGUWIGAVRHWKS-CYBMUJFWSA-N 0 0 323.418 0.926 50 0 DCAARN Cc1[nH]nc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)c1Cl ZINC000426420770 257251918 /nfs/dbraw/zinc/25/19/18/257251918.db2.gz PTKKKNWEZPQNDC-UHFFFAOYSA-N 0 0 309.761 0.448 50 0 DCAARN O=C(Cc1nc2ccccc2[nH]1)N1CCC[C@](O)(CO)CC1 ZINC000426374169 257253107 /nfs/dbraw/zinc/25/31/07/257253107.db2.gz KEVDTIXMONSQGV-MRXNPFEDSA-N 0 0 303.362 0.841 50 0 DCAARN NC(=O)[C@H](CNC(=O)c1nccnc1N)Cc1ccc(F)cc1 ZINC000071826885 184857332 /nfs/dbraw/zinc/85/73/32/184857332.db2.gz QHMZVRLMBLZZBQ-JTQLQIEISA-N 0 0 317.324 0.272 50 0 DCAARN CNS(=O)(=O)CCNC(=O)CSc1cccc(OC)c1 ZINC000275826886 130392035 /nfs/dbraw/zinc/39/20/35/130392035.db2.gz BTPDIJVPWMKWST-UHFFFAOYSA-N 0 0 318.420 0.453 50 0 DCAARN NC(=O)[C@@]1(O)CCCN(c2cncc(Br)c2)C1 ZINC000284496640 131086737 /nfs/dbraw/zinc/08/67/37/131086737.db2.gz CSFLJFODCGIMBZ-LLVKDONJSA-N 0 0 300.156 0.661 50 0 DCAARN O=S1(=O)C[C@H]2[C@@H](C1)NC(=S)N2c1ccc2c(c1)OCO2 ZINC000006670335 296493785 /nfs/dbraw/zinc/49/37/85/296493785.db2.gz QSAICIIZNHTYKH-BDAKNGLRSA-N 0 0 312.372 0.275 50 0 DCAARN COC[C@H](C)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC000032660567 134682528 /nfs/dbraw/zinc/68/25/28/134682528.db2.gz ZKWUVYFMRRMRRN-WDEREUQCSA-N 0 0 304.350 0.476 50 0 DCAARN NS(=O)(=O)NC[C@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000058224439 134792583 /nfs/dbraw/zinc/79/25/83/134792583.db2.gz RSYUQAJOFBMFRX-LLVKDONJSA-N 0 0 321.406 0.639 50 0 DCAARN CNC(=O)CN(C)S(=O)(=O)c1ccccc1Br ZINC000008225367 395684204 /nfs/dbraw/zinc/68/42/04/395684204.db2.gz MVUPZQMZYBDPBH-UHFFFAOYSA-N 0 0 321.196 0.816 50 0 DCAARN COC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(OC)c(OC)c1 ZINC000008277555 395684255 /nfs/dbraw/zinc/68/42/55/395684255.db2.gz ONDAICGXXIFISZ-SNVBAGLBSA-N 0 0 317.363 0.857 50 0 DCAARN C[C@H](Sc1nnnn1C1CCCC1)C(=O)N1CCNC1=O ZINC000008230861 395684313 /nfs/dbraw/zinc/68/43/13/395684313.db2.gz LBKIZWOLALATPH-QMMMGPOBSA-N 0 0 310.383 0.821 50 0 DCAARN Cn1c2ncn(C[C@@H](O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000008719787 395684911 /nfs/dbraw/zinc/68/49/11/395684911.db2.gz WQGHUGJOXDNLKL-LLVKDONJSA-N 0 0 300.318 0.167 50 0 DCAARN Cc1ccc(N2CC(=O)N[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000008974252 395684984 /nfs/dbraw/zinc/68/49/84/395684984.db2.gz YDLVTWODJUFORV-RYUDHWBXSA-N 0 0 314.794 0.750 50 0 DCAARN COCC(=O)NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000008986954 395685038 /nfs/dbraw/zinc/68/50/38/395685038.db2.gz ANOBAJQYPMSPJG-SNVBAGLBSA-N 0 0 306.318 0.531 50 0 DCAARN COC(=O)c1ccc(NC(=O)CN2CCC(C(N)=O)CC2)cc1 ZINC000009067020 395685209 /nfs/dbraw/zinc/68/52/09/395685209.db2.gz BYDXNVJZUCLSIZ-UHFFFAOYSA-N 0 0 319.361 0.609 50 0 DCAARN O=C(Cn1nnc(-c2cccc(F)c2)n1)NC[C@@H]1CCCO1 ZINC000009576903 395685404 /nfs/dbraw/zinc/68/54/04/395685404.db2.gz ZPXVDKBZIWPSII-LBPRGKRZSA-N 0 0 305.313 0.774 50 0 DCAARN CCOCCCNc1nnc(SCC(=O)NC(N)=O)s1 ZINC000009952547 395685730 /nfs/dbraw/zinc/68/57/30/395685730.db2.gz OABXQKIUDPYVIG-UHFFFAOYSA-N 0 0 319.412 0.664 50 0 DCAARN COc1ccccc1[C@H](C)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC000010031296 395685865 /nfs/dbraw/zinc/68/58/65/395685865.db2.gz DCWSSLXYXCCZCW-GXSJLCMTSA-N 0 0 305.334 0.861 50 0 DCAARN C[C@@H]1CN(C(=O)COC(=O)c2ccc(C(N)=O)cc2)CCO1 ZINC000011505989 395686700 /nfs/dbraw/zinc/68/67/00/395686700.db2.gz HLDHQOYCYGYUPH-SNVBAGLBSA-N 0 0 306.318 0.190 50 0 DCAARN COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000012002032 395686946 /nfs/dbraw/zinc/68/69/46/395686946.db2.gz YUXMXJCIVIEFFU-UHFFFAOYSA-N 0 0 312.347 0.265 50 0 DCAARN CC[C@H](C)NC(=O)COC(=O)c1cccc(-n2cnnn2)c1 ZINC000012096039 395687106 /nfs/dbraw/zinc/68/71/06/395687106.db2.gz JMAUDQHDQXWOFL-JTQLQIEISA-N 0 0 303.322 0.734 50 0 DCAARN COC(=O)CC(=Nc1ccc(N(C)C)cc1)C(=O)NCCO ZINC000012322560 395687532 /nfs/dbraw/zinc/68/75/32/395687532.db2.gz OWLIPQRLGABMQS-JLHYYAGUSA-N 0 0 307.350 0.330 50 0 DCAARN O=C(NCCNS(=O)(=O)c1cccc2nonc21)C1CC1 ZINC000012391602 395687588 /nfs/dbraw/zinc/68/75/88/395687588.db2.gz ZQNHLYOBXQGYAF-UHFFFAOYSA-N 0 0 310.335 0.027 50 0 DCAARN COc1ccc(-c2noc(C(=O)NCCCO)n2)cc1OC ZINC000012391584 395687674 /nfs/dbraw/zinc/68/76/74/395687674.db2.gz OQYICKWUYVWLAY-UHFFFAOYSA-N 0 0 307.306 0.866 50 0 DCAARN CC(C)/C=C/C(=O)N1CCC[C@H](CNS(=O)(=O)N(C)C)C1 ZINC000012713257 395687861 /nfs/dbraw/zinc/68/78/61/395687861.db2.gz VAHAOMMYTLGHMH-SBDDDAINSA-N 0 0 317.455 0.833 50 0 DCAARN C[C@H](NC(=O)CN1C[C@@H](C(N)=O)Oc2ccccc21)C1CC1 ZINC000012651757 395687909 /nfs/dbraw/zinc/68/79/09/395687909.db2.gz ACICUENWHBNYEC-HZMBPMFUSA-N 0 0 303.362 0.654 50 0 DCAARN O=C(CCNS(=O)(=O)c1ccccc1)Nc1nncs1 ZINC000012865833 395688075 /nfs/dbraw/zinc/68/80/75/395688075.db2.gz PXJZGKRPPXXULD-UHFFFAOYSA-N 0 0 312.376 0.845 50 0 DCAARN CCCCNC(=O)C(=O)NC[C@@H](O)COc1ccc(C)cc1 ZINC000012892836 395688142 /nfs/dbraw/zinc/68/81/42/395688142.db2.gz YPCVYEOZOXMVJT-CYBMUJFWSA-N 0 0 308.378 0.767 50 0 DCAARN Cc1ccccc1CN(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000012916220 395688193 /nfs/dbraw/zinc/68/81/93/395688193.db2.gz YVHDSXGIFOWWIE-CQSZACIVSA-N 0 0 310.419 0.730 50 0 DCAARN COC(=O)[C@@H](C)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000012874533 395688229 /nfs/dbraw/zinc/68/82/29/395688229.db2.gz RFCRXKHQOLBDFA-LLVKDONJSA-N 0 0 315.329 0.583 50 0 DCAARN Cc1ccc(C)c(S(=O)(=O)NCCCNS(C)(=O)=O)c1 ZINC000012953421 395688338 /nfs/dbraw/zinc/68/83/38/395688338.db2.gz LEMPFUIBWZCSOF-UHFFFAOYSA-N 0 0 320.436 0.521 50 0 DCAARN Cc1ccc2c(n[nH]c2NC(=O)C(=O)NCc2cccnc2)n1 ZINC000013726181 395688908 /nfs/dbraw/zinc/68/89/08/395688908.db2.gz GQGLEASRPAHIPA-UHFFFAOYSA-N 0 0 310.317 0.916 50 0 DCAARN COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn32)c(OC)c1 ZINC000013725413 395689010 /nfs/dbraw/zinc/68/90/10/395689010.db2.gz YNHXGJGXESRQCA-JTQLQIEISA-N 0 0 317.305 0.817 50 0 DCAARN CC(C)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000014114182 395689119 /nfs/dbraw/zinc/68/91/19/395689119.db2.gz RGBZFLQHPLCNQY-UHFFFAOYSA-N 0 0 300.366 0.967 50 0 DCAARN CCn1nnnc1S[C@@H](C)C(=O)Nc1ncnc2[nH]cnc21 ZINC000014197394 395689373 /nfs/dbraw/zinc/68/93/73/395689373.db2.gz APBRZEDZHBHADF-LURJTMIESA-N 0 0 319.354 0.479 50 0 DCAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CCC(N)=O)C1=O ZINC000015246848 395689939 /nfs/dbraw/zinc/68/99/39/395689939.db2.gz PVYNYQJTHWHAEX-OAHLLOKOSA-N 0 0 305.334 0.728 50 0 DCAARN CCOC(=O)c1cnc(N2CCN(C(=O)OCC)CC2)[nH]c1=O ZINC000018222359 395690906 /nfs/dbraw/zinc/69/09/06/395690906.db2.gz ZZHYHCREWYKNCG-UHFFFAOYSA-N 0 0 324.337 0.225 50 0 DCAARN COC(=O)c1ccc([C@H]2NC(=S)NC(C)=C2C(N)=O)cc1 ZINC000000071748 395679660 /nfs/dbraw/zinc/67/96/60/395679660.db2.gz UNHSNIZBHIHSMR-LLVKDONJSA-N 0 0 305.359 0.751 50 0 DCAARN Cn1c2nc(Nc3ccccc3)n(CCO)c2c(=O)n(C)c1=O ZINC000000032603 395679688 /nfs/dbraw/zinc/67/96/88/395679688.db2.gz AUFUHCQDJCYXTK-UHFFFAOYSA-N 0 0 315.333 0.170 50 0 DCAARN CCn1c(NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000105226 395679823 /nfs/dbraw/zinc/67/98/23/395679823.db2.gz QIQPCOBUDBUAMW-UHFFFAOYSA-N 0 0 303.322 0.659 50 0 DCAARN O=C(CCn1nnc2ccccc2c1=O)NCc1ccccn1 ZINC000000256848 395680164 /nfs/dbraw/zinc/68/01/64/395680164.db2.gz XPCCQKLSLLAEOM-UHFFFAOYSA-N 0 0 309.329 0.893 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000000415559 395680382 /nfs/dbraw/zinc/68/03/82/395680382.db2.gz UZDGGSRRIPNXOD-UHFFFAOYSA-N 0 0 304.393 0.378 50 0 DCAARN Cn1c(SCC(=O)N2CCOCC2)nc2ccccc2c1=O ZINC000000420556 395680406 /nfs/dbraw/zinc/68/04/06/395680406.db2.gz UXFGLKISMNHQQZ-UHFFFAOYSA-N 0 0 319.386 0.884 50 0 DCAARN CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1 ZINC000000543553 395680531 /nfs/dbraw/zinc/68/05/31/395680531.db2.gz XKDDGAZQAAQXFS-UHFFFAOYSA-N 0 0 315.333 0.544 50 0 DCAARN Cc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1 ZINC000000816863 395680674 /nfs/dbraw/zinc/68/06/74/395680674.db2.gz HTXLCRDCPOOEHI-UHFFFAOYSA-N 0 0 312.391 0.620 50 0 DCAARN COC(=O)[C@@H]1CC(=O)NN(C(=O)CSc2ccccn2)C1 ZINC000001393319 395680758 /nfs/dbraw/zinc/68/07/58/395680758.db2.gz IOJRVHOPKFVGKM-SECBINFHSA-N 0 0 309.347 0.226 50 0 DCAARN CCOCCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000001748686 395681081 /nfs/dbraw/zinc/68/10/81/395681081.db2.gz WFACTGOHGVVREF-UHFFFAOYSA-N 0 0 321.381 0.450 50 0 DCAARN CC(C)NC(=O)COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O ZINC000002621386 395681739 /nfs/dbraw/zinc/68/17/39/395681739.db2.gz NCJVNLHRTXRGDM-UHFFFAOYSA-N 0 0 319.317 0.170 50 0 DCAARN NC(=O)CSc1nc2ccccc2c(SCC(N)=O)n1 ZINC000002993439 395682117 /nfs/dbraw/zinc/68/21/17/395682117.db2.gz SDMRJZAZNCIOGF-UHFFFAOYSA-N 0 0 308.388 0.785 50 0 DCAARN COC(=O)[C@@H](NC=O)[C@](O)(Cc1ccccc1)C(F)(F)F ZINC000003102127 395682271 /nfs/dbraw/zinc/68/22/71/395682271.db2.gz ABMFGIMJEWDYRN-ZYHUDNBSSA-N 0 0 305.252 0.810 50 0 DCAARN COc1ccc(OC)c([C@H]2NC(=O)NC3=C2C(=O)N(C)C3)c1 ZINC000007991003 395683793 /nfs/dbraw/zinc/68/37/93/395683793.db2.gz WDMNSYQAMDGSMH-CYBMUJFWSA-N 0 0 303.318 0.784 50 0 DCAARN CCS(=O)(=O)N1CCN(C[C@@H](O)c2cccs2)CC1 ZINC000085467256 395701105 /nfs/dbraw/zinc/70/11/05/395701105.db2.gz YWLVUXJRJDNNQU-LLVKDONJSA-N 0 0 304.437 0.749 50 0 DCAARN CN(C)C(=O)N1CCN(CCn2c3ccccc3oc2=O)CC1 ZINC000029926348 395701254 /nfs/dbraw/zinc/70/12/54/395701254.db2.gz WMJRUKQWRLWRKV-UHFFFAOYSA-N 0 0 318.377 0.894 50 0 DCAARN Cc1c(C(=O)NCc2ccc(N3CCOCC3)nc2)cnn1C ZINC000029980939 395701507 /nfs/dbraw/zinc/70/15/07/395701507.db2.gz VEIKKIDHXQEYHY-UHFFFAOYSA-N 0 0 315.377 0.890 50 0 DCAARN NC(=O)c1ccc(CN(C(=O)c2ccc(=O)[nH]n2)C2CC2)cc1 ZINC000031168991 395705431 /nfs/dbraw/zinc/70/54/31/395705431.db2.gz OXDQOSDTKGQZGZ-UHFFFAOYSA-N 0 0 312.329 0.674 50 0 DCAARN CCN1C(=O)C(=O)N(Cc2nc(Cc3ccccc3)no2)C1=O ZINC000031651377 395707525 /nfs/dbraw/zinc/70/75/25/395707525.db2.gz DSPIQKRXOTVUGM-UHFFFAOYSA-N 0 0 314.301 0.971 50 0 DCAARN CN(C)c1cc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)ccn1 ZINC000089322963 395709975 /nfs/dbraw/zinc/70/99/75/395709975.db2.gz QYMHVZSJZHURSY-GJZGRUSLSA-N 0 0 318.421 0.819 50 0 DCAARN C[C@@H]1C[C@H]1CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000032384705 395710670 /nfs/dbraw/zinc/71/06/70/395710670.db2.gz RHAZONHAUMRLMD-RQJHMYQMSA-N 0 0 316.155 0.071 50 0 DCAARN O=C1CCCCCN1CCNS(=O)(=O)N1CCCCC1 ZINC000032443942 395711072 /nfs/dbraw/zinc/71/10/72/395711072.db2.gz TZPVNQOMCIZUFR-UHFFFAOYSA-N 0 0 303.428 0.709 50 0 DCAARN Cc1ccn(C(=O)c2ccnn2C)/c(=N/C(=O)c2ccnn2C)c1 ZINC000032578937 395711523 /nfs/dbraw/zinc/71/15/23/395711523.db2.gz UQBPACQCCVBISI-XMHGGMMESA-N 0 0 324.344 0.693 50 0 DCAARN Cc1ccc(N=c2sc3c([nH]c(=O)[nH]c3=O)n2CCO)cc1 ZINC000032603845 395711552 /nfs/dbraw/zinc/71/15/52/395711552.db2.gz PVDYLAOJNRPDID-PFONDFGASA-N 0 0 318.358 0.613 50 0 DCAARN C[C@@H](OC(=O)c1nccnc1N)C(=O)NCc1cccs1 ZINC000032776169 395713383 /nfs/dbraw/zinc/71/33/83/395713383.db2.gz KWWQESKTDNOMQV-MRVPVSSYSA-N 0 0 306.347 0.982 50 0 DCAARN Cc1cc([C@H]2CCCN(C(=O)CN3CSCC3=O)C2)[nH]n1 ZINC000089598990 395713382 /nfs/dbraw/zinc/71/33/82/395713382.db2.gz QUANCPOUKTWVQA-NSHDSACASA-N 0 0 308.407 0.957 50 0 DCAARN COc1ccc(OC)c(N2C(=O)C[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032831603 395714418 /nfs/dbraw/zinc/71/44/18/395714418.db2.gz VEMOZJYXQZXSFF-JOYOIKCWSA-N 0 0 311.359 0.854 50 0 DCAARN O=C(NCc1nnc2n1CCCC2)c1cc2c([nH]c1=O)CCC2 ZINC000089764885 395714952 /nfs/dbraw/zinc/71/49/52/395714952.db2.gz HFNIFKZGRJKOBL-UHFFFAOYSA-N 0 0 313.361 0.721 50 0 DCAARN COc1cccc(C(N)=O)c1OCC(=O)NCC(F)(F)F ZINC000032958242 395715141 /nfs/dbraw/zinc/71/51/41/395715141.db2.gz KYQLEUNNTABRFQ-UHFFFAOYSA-N 0 0 306.240 0.851 50 0 DCAARN C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1nnc2n1CCCCC2 ZINC000089913878 395716315 /nfs/dbraw/zinc/71/63/15/395716315.db2.gz QSPLIAFZEFRXOK-MNOVXSKESA-N 0 0 305.382 0.660 50 0 DCAARN Cc1ccc(-n2cnc(C(=O)N(C)CC(=O)N(C)C)n2)cc1 ZINC000034910719 395718300 /nfs/dbraw/zinc/71/83/00/395718300.db2.gz ODFPIJFGJYVEGQ-UHFFFAOYSA-N 0 0 301.350 0.736 50 0 DCAARN COC(=O)CNC(=O)c1c2c(sc1-n1cnnn1)CCC2 ZINC000036354463 395723376 /nfs/dbraw/zinc/72/33/76/395723376.db2.gz WMDAWLZRBUQIRF-UHFFFAOYSA-N 0 0 307.335 0.115 50 0 DCAARN C[C@H](NC(=O)N1CCN(c2cnccn2)CC1)[C@H]1CCCO1 ZINC000026397993 395694337 /nfs/dbraw/zinc/69/43/37/395694337.db2.gz AAGAWQJZNCNENB-QWHCGFSZSA-N 0 0 305.382 0.876 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)c1Cl ZINC000027976230 395695596 /nfs/dbraw/zinc/69/55/96/395695596.db2.gz MKSJTZAIGCMHEY-SSDOTTSWSA-N 0 0 306.775 0.102 50 0 DCAARN CNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl ZINC000028207826 395695826 /nfs/dbraw/zinc/69/58/26/395695826.db2.gz SGZNXBHQMHXUAP-UHFFFAOYSA-N 0 0 306.771 0.715 50 0 DCAARN CC(C)N1C(=O)N[C@@]2(CCN(Cc3noc(C4CC4)n3)C2)C1=O ZINC000084597419 395698360 /nfs/dbraw/zinc/69/83/60/395698360.db2.gz GGUBDCSQPQXFEJ-OAHLLOKOSA-N 0 0 319.365 0.852 50 0 DCAARN O=c1c2cnc(N3CCOCC3)nc2ccn1C[C@@H]1CCCO1 ZINC000039383858 395732186 /nfs/dbraw/zinc/73/21/86/395732186.db2.gz OUSZMRDZMLLARE-LBPRGKRZSA-N 0 0 316.361 0.807 50 0 DCAARN O=C(NCCCn1cncn1)c1cccnc1N1CCOCC1 ZINC000041862753 395739755 /nfs/dbraw/zinc/73/97/55/395739755.db2.gz QYIJXCJELNOVSX-UHFFFAOYSA-N 0 0 316.365 0.330 50 0 DCAARN C[C@H]1CCCCN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000040489766 395734312 /nfs/dbraw/zinc/73/43/12/395734312.db2.gz TYFBDVBWTZQKOV-JTQLQIEISA-N 0 0 316.361 0.647 50 0 DCAARN CCc1nnc(NC(=O)CCNC(=O)c2ccnn2C)s1 ZINC000096192358 395748476 /nfs/dbraw/zinc/74/84/76/395748476.db2.gz YIOZWOQRZCHXRJ-UHFFFAOYSA-N 0 0 308.367 0.593 50 0 DCAARN CC1(C)S[C@@H](CNC(=O)[C@H]([NH3+])c2ccccc2)N[C@H]1C(=O)[O-] ZINC000095698957 395740954 /nfs/dbraw/zinc/74/09/54/395740954.db2.gz PIIGZYMBHCDKIJ-TUAOUCFPSA-N 0 0 323.418 0.697 50 0 DCAARN CC1(C)S[C@H](CNC(=O)[C@H]([NH3+])c2ccccc2)N[C@H]1C(=O)[O-] ZINC000095698958 395740983 /nfs/dbraw/zinc/74/09/83/395740983.db2.gz PIIGZYMBHCDKIJ-UTUOFQBUSA-N 0 0 323.418 0.697 50 0 DCAARN Cn1cnc(S(=O)(=O)NC[C@](O)(c2ccco2)C2CC2)c1 ZINC000096098345 395744496 /nfs/dbraw/zinc/74/44/96/395744496.db2.gz UGPMBIGPJUMUIQ-CYBMUJFWSA-N 0 0 311.363 0.589 50 0 DCAARN CN(C)c1ccnc(CNC(=O)CNC(=O)c2ccccc2)n1 ZINC000096121021 395745572 /nfs/dbraw/zinc/74/55/72/395745572.db2.gz BKWYGEXLSPPLIT-UHFFFAOYSA-N 0 0 313.361 0.589 50 0 DCAARN Cc1cn2c(nc(CN3CC[C@@](C)(O)[C@@H](O)C3)cc2=O)s1 ZINC000096138747 395746026 /nfs/dbraw/zinc/74/60/26/395746026.db2.gz LVOWSMQEQFQTTE-SMDDNHRTSA-N 0 0 309.391 0.382 50 0 DCAARN Cc1ccc(-c2cc(C(=O)N3CC[C@@](C)(O)[C@@H](O)C3)[nH]n2)o1 ZINC000096150357 395746122 /nfs/dbraw/zinc/74/61/22/395746122.db2.gz LXKFMRHELOUZEW-DZGCQCFKSA-N 0 0 305.334 0.936 50 0 DCAARN Cc1nc[nH]c1C[N@H+]1C[C@H]2CN(C(=O)N(C)C)C[C@@]2(C(=O)[O-])C1 ZINC000096148850 395746337 /nfs/dbraw/zinc/74/63/37/395746337.db2.gz BBJBQZDUDSJCJS-NHYWBVRUSA-N 0 0 321.381 0.218 50 0 DCAARN O=C(CCn1nc2ccccn2c1=O)NCCc1cscn1 ZINC000096408459 395752771 /nfs/dbraw/zinc/75/27/71/395752771.db2.gz AFGODIOUIMFJQZ-UHFFFAOYSA-N 0 0 317.374 0.702 50 0 DCAARN O=C(c1ccccc1-n1cccn1)N1CCS(=O)(=O)CC1 ZINC000097475499 395758174 /nfs/dbraw/zinc/75/81/74/395758174.db2.gz PYIQSFNIZURYHP-UHFFFAOYSA-N 0 0 305.359 0.743 50 0 DCAARN CCS(=O)(=O)NCC(=O)N[C@@]1(C)CCc2ccccc2C1 ZINC000096485403 395753705 /nfs/dbraw/zinc/75/37/05/395753705.db2.gz LDBJFZJMFNVPOE-HNNXBMFYSA-N 0 0 310.419 0.990 50 0 DCAARN CS(=O)(=O)N1CCN(c2nc(C3CC3)nc3c2CCC3)CC1 ZINC000096487528 395753714 /nfs/dbraw/zinc/75/37/14/395753714.db2.gz HMGCXASCPYQBLG-UHFFFAOYSA-N 0 0 322.434 0.924 50 0 DCAARN COCc1cc(N[C@@H]2CCc3nnc(C)n3C2)n2ncnc2n1 ZINC000097199272 395755649 /nfs/dbraw/zinc/75/56/49/395755649.db2.gz TUUVHRWHPCFQIM-SNVBAGLBSA-N 0 0 314.353 0.598 50 0 DCAARN Cn1c(CNC(=O)c2ccn3nnnc3c2)nc2ccccc21 ZINC000096232319 395751152 /nfs/dbraw/zinc/75/11/52/395751152.db2.gz FSWCWTCFIBLWQY-UHFFFAOYSA-N 0 0 307.317 0.941 50 0 DCAARN Cn1nnc(-c2ccc(OCC(=O)N3CCSCC3)cc2)n1 ZINC000096231320 395751179 /nfs/dbraw/zinc/75/11/79/395751179.db2.gz WERRIKGGDFODFL-UHFFFAOYSA-N 0 0 319.390 0.831 50 0 DCAARN Cc1ncc2c(n1)CN(C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000106666176 395783455 /nfs/dbraw/zinc/78/34/55/395783455.db2.gz MMOWEBQMCXWBDY-IOASZLSFSA-N 0 0 320.437 0.613 50 0 DCAARN CC(=O)N1CCN([C@H]2C[N@@H+](Cc3cnc(C)cn3)C[C@@H]2C)CC1 ZINC000107058349 395784802 /nfs/dbraw/zinc/78/48/02/395784802.db2.gz SBGNEVQJFNBQJB-GUYCJALGSA-N 0 0 317.437 0.769 50 0 DCAARN C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000047005015 395785176 /nfs/dbraw/zinc/78/51/76/395785176.db2.gz NJAXQXMOVRPDRB-RYUDHWBXSA-N 0 0 309.366 0.248 50 0 DCAARN CC(=O)N1CCN(c2nccnc2N2CCCC2)C[C@@H](O)C1 ZINC000097619478 395759417 /nfs/dbraw/zinc/75/94/17/395759417.db2.gz CIHFTGBPQSBNRR-ZDUSSCGKSA-N 0 0 305.382 0.106 50 0 DCAARN CN(Cc1cc(-c2ccco2)on1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000097915174 395760747 /nfs/dbraw/zinc/76/07/47/395760747.db2.gz TUJILYITSKDZIG-VIFPVBQESA-N 0 0 318.289 0.491 50 0 DCAARN O=C(Cn1ccccc1=O)NC[C@@H](CO)Cc1cccs1 ZINC000097797253 395761084 /nfs/dbraw/zinc/76/10/84/395761084.db2.gz UQPIYCSSMOBEOX-LBPRGKRZSA-N 0 0 306.387 0.877 50 0 DCAARN Cn1cc(CNC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cn1 ZINC000098014435 395761426 /nfs/dbraw/zinc/76/14/26/395761426.db2.gz XIUCKFOFRNXUPU-ZDUSSCGKSA-N 0 0 317.397 0.622 50 0 DCAARN CC[NH2+]CCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613681 395763175 /nfs/dbraw/zinc/76/31/75/395763175.db2.gz SLYKTHAXHUHFOL-UHFFFAOYSA-N 0 0 315.373 0.993 50 0 DCAARN Cn1c2[nH]c(=S)n(Cc3ccc(F)cc3)c2c(=O)[nH]c1=O ZINC000100641521 395763714 /nfs/dbraw/zinc/76/37/14/395763714.db2.gz VGRSXJXNHZHGOF-UHFFFAOYSA-N 0 0 306.322 0.899 50 0 DCAARN O=C1C[C@H](N2CCOCC2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000101260313 395764266 /nfs/dbraw/zinc/76/42/66/395764266.db2.gz RSPIIDWDCDJEIP-NSHDSACASA-N 0 0 304.302 0.379 50 0 DCAARN CNC(=O)c1cccc(CNC(=O)NCC(=O)NC2CC2)c1 ZINC000045685056 395765122 /nfs/dbraw/zinc/76/51/22/395765122.db2.gz MSIYZAYZZAVADT-UHFFFAOYSA-N 0 0 304.350 0.124 50 0 DCAARN O=C(NCCN1CCOCC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000045973393 395769214 /nfs/dbraw/zinc/76/92/14/395769214.db2.gz PICZDHRJKKQGNL-CYBMUJFWSA-N 0 0 321.377 0.077 50 0 DCAARN C[C@@H](Cn1ccnc1)NC(=O)c1cccnc1N1CCOCC1 ZINC000048129114 395808368 /nfs/dbraw/zinc/80/83/68/395808368.db2.gz TVHLUWRRQLWFKB-ZDUSSCGKSA-N 0 0 315.377 0.933 50 0 DCAARN CCOc1ncccc1CNC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000048251581 395811366 /nfs/dbraw/zinc/81/13/66/395811366.db2.gz QEJXNQMGTMDFPT-LLVKDONJSA-N 0 0 313.379 0.467 50 0 DCAARN O=C(/C=C/c1ccc2c(c1)OCCO2)N[C@H]1CCS(=O)(=O)C1 ZINC000048248301 395811634 /nfs/dbraw/zinc/81/16/34/395811634.db2.gz VHXHMKWAWNTVSL-KMOQFTEPSA-N 0 0 323.370 0.774 50 0 DCAARN COCC(=O)N1CCN(Cc2cc(C(=O)OC)c(C)n2C)CC1 ZINC000225418944 395859670 /nfs/dbraw/zinc/85/96/70/395859670.db2.gz ZFIDRUKXLLKMPI-UHFFFAOYSA-N 0 0 323.393 0.411 50 0 DCAARN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)Nc1nc[nH]n1 ZINC000206242480 395834861 /nfs/dbraw/zinc/83/48/61/395834861.db2.gz IYJBDSBMSYMUQY-WEDXCCLWSA-N 0 0 310.383 0.469 50 0 DCAARN CNC(=O)[C@H]1CN(Cc2cc(OC)c(O)c(OC)c2)CCO1 ZINC000225422977 395860017 /nfs/dbraw/zinc/86/00/17/395860017.db2.gz OHQNNFPZJARGFQ-CYBMUJFWSA-N 0 0 310.350 0.356 50 0 DCAARN CN(C)c1cncc(O[C@H]2CCN(S(=O)(=O)C3CC3)C2)n1 ZINC000225408011 395860194 /nfs/dbraw/zinc/86/01/94/395860194.db2.gz GRZWFVFYDQLABF-JTQLQIEISA-N 0 0 312.395 0.488 50 0 DCAARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)Nc1nn[nH]n1 ZINC000218528976 395843016 /nfs/dbraw/zinc/84/30/16/395843016.db2.gz PQTPLRMKKNLFFL-JTQLQIEISA-N 0 0 318.337 0.410 50 0 DCAARN COCc1noc(CCNC(=O)c2cccc3c2OCCO3)n1 ZINC000219298710 395844520 /nfs/dbraw/zinc/84/45/20/395844520.db2.gz JWPZLEROBJMHKQ-UHFFFAOYSA-N 0 0 319.317 0.960 50 0 DCAARN COCC1(CNC(=O)CCn2ccc(=O)[nH]c2=O)CCCC1 ZINC000219599854 395846326 /nfs/dbraw/zinc/84/63/26/395846326.db2.gz BWGJEDUMCSKQMV-UHFFFAOYSA-N 0 0 309.366 0.250 50 0 DCAARN Cc1cnc2c(Cl)c(C(=O)N[C@@H]3COCC[C@H]3O)nn2c1 ZINC000219594877 395846422 /nfs/dbraw/zinc/84/64/22/395846422.db2.gz KQEPQXOEJOKWEY-RKDXNWHRSA-N 0 0 310.741 0.571 50 0 DCAARN Cc1nnnn1CCC(=O)N1CCC[C@H](Cn2ccnc2)C1 ZINC000219967358 395847293 /nfs/dbraw/zinc/84/72/93/395847293.db2.gz JGIHLEPRFGMELM-CYBMUJFWSA-N 0 0 303.370 0.507 50 0 DCAARN COCCn1cnnc1[C@@H](C)NC(=O)c1sc(N)nc1C ZINC000221253062 395850213 /nfs/dbraw/zinc/85/02/13/395850213.db2.gz ZNMYXQVFBHWPHI-MRVPVSSYSA-N 0 0 310.383 0.763 50 0 DCAARN C/C=C\C[C@H](CO)NC(=O)CNC(=O)c1cccc(OC)c1 ZINC000221875794 395850993 /nfs/dbraw/zinc/85/09/93/395850993.db2.gz JLQSVIWHSQFSLP-DHCBQETCSA-N 0 0 306.362 0.868 50 0 DCAARN O=C(c1cccc(=O)[nH]1)N1CCC(O)(Cn2ccnc2)CC1 ZINC000223060303 395853515 /nfs/dbraw/zinc/85/35/15/395853515.db2.gz KYEZRTOPSWPFLD-UHFFFAOYSA-N 0 0 302.334 0.239 50 0 DCAARN CCO[C@H]1CN(CC(=O)NCCc2ccccc2OC)C[C@@H]1O ZINC000223351473 395855029 /nfs/dbraw/zinc/85/50/29/395855029.db2.gz AUWMDTVJNLGIDM-HOCLYGCPSA-N 0 0 322.405 0.436 50 0 DCAARN CNC(=O)c1ccc(CNC(=O)COC[C@@H]2CCCCO2)o1 ZINC000223600660 395855997 /nfs/dbraw/zinc/85/59/97/395855997.db2.gz JWNCUIIAGJTLJU-LBPRGKRZSA-N 0 0 310.350 0.841 50 0 DCAARN O=C(NC[C@H]1Cc2ccccc2O1)N[C@@H]1CCS(=O)(=O)C1 ZINC000047594977 395796014 /nfs/dbraw/zinc/79/60/14/395796014.db2.gz OPGXQRKGEGHZBQ-VXGBXAGGSA-N 0 0 310.375 0.476 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)C1 ZINC000053894878 395890992 /nfs/dbraw/zinc/89/09/92/395890992.db2.gz KIKCXUFVKRIKRA-SNVBAGLBSA-N 0 0 307.316 0.595 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CCC(N2CCNC2=O)CC1 ZINC000054318230 395897174 /nfs/dbraw/zinc/89/71/74/395897174.db2.gz JCCCZRLSXAVEDV-UHFFFAOYSA-N 0 0 306.366 0.850 50 0 DCAARN O=C(NCCNc1cnccn1)c1ccnc(-n2cncn2)c1 ZINC000054705996 395904360 /nfs/dbraw/zinc/90/43/60/395904360.db2.gz PDMZMVPHNHEFKW-UHFFFAOYSA-N 0 0 310.321 0.294 50 0 DCAARN COc1ccc(NC(=O)CC(=O)N[C@@H](C)C(N)=O)c(OC)c1 ZINC000055326154 395917292 /nfs/dbraw/zinc/91/72/92/395917292.db2.gz SIGFPYKBGIBCHI-QMMMGPOBSA-N 0 0 309.322 0.022 50 0 DCAARN CCOC(=O)CN(C)c1ncc(CN[C@@H](C)c2nc[nH]n2)cn1 ZINC000055370714 395918040 /nfs/dbraw/zinc/91/80/40/395918040.db2.gz XLTNURCHUVBFSM-JTQLQIEISA-N 0 0 319.369 0.445 50 0 DCAARN CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(=O)[nH]c2)cc1 ZINC000055822368 395922155 /nfs/dbraw/zinc/92/21/55/395922155.db2.gz YDJPBUFZZZTOJL-UHFFFAOYSA-N 0 0 320.370 0.850 50 0 DCAARN O=C(c1ccco1)N1CCN(C2CCS(=O)(=O)CC2)CC1 ZINC000238868710 395923143 /nfs/dbraw/zinc/92/31/43/395923143.db2.gz MJMOPRGNIBWBFG-UHFFFAOYSA-N 0 0 312.391 0.615 50 0 DCAARN O=C(CN1CCC[C@H](C(=O)c2ccccn2)C1)N1CCOCC1 ZINC000244840219 395925500 /nfs/dbraw/zinc/92/55/00/395925500.db2.gz UIZQDLOAZCJTAD-AWEZNQCLSA-N 0 0 317.389 0.835 50 0 DCAARN Cc1noc(C)c1CCC(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC000245053447 395926694 /nfs/dbraw/zinc/92/66/94/395926694.db2.gz OVAZQFFPWBXWML-UHFFFAOYSA-N 0 0 316.321 0.684 50 0 DCAARN Cc1cc(=O)n(CC(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)cn1 ZINC000244933133 395926936 /nfs/dbraw/zinc/92/69/36/395926936.db2.gz CCWQNFPFSYIRHE-AGIUHOORSA-N 0 0 307.350 0.004 50 0 DCAARN C[C@@H](CNS(=O)(=O)N1CCCCC1)N1CCCCC1=O ZINC000225548252 395861745 /nfs/dbraw/zinc/86/17/45/395861745.db2.gz AQCXTCIZBYZESJ-LBPRGKRZSA-N 0 0 303.428 0.708 50 0 DCAARN Cc1cnc(C(=O)N2CCCC[C@@H]2c2cc(C(N)=O)[nH]n2)cn1 ZINC000225557424 395862171 /nfs/dbraw/zinc/86/21/71/395862171.db2.gz LCNRNQOTUVTQNA-CYBMUJFWSA-N 0 0 314.349 0.974 50 0 DCAARN COc1ccc(CC(=O)N2CC[C@@H](N3C(=O)COC3=O)C2)cc1 ZINC000225699438 395862453 /nfs/dbraw/zinc/86/24/53/395862453.db2.gz RAZJROCCSFAYOX-GFCCVEGCSA-N 0 0 318.329 0.817 50 0 DCAARN Cn1cnc(S(=O)(=O)NC[C@@H]2Cc3ccccc3CO2)c1 ZINC000225787064 395863545 /nfs/dbraw/zinc/86/35/45/395863545.db2.gz WMKPQYIDRLHBMT-ZDUSSCGKSA-N 0 0 307.375 0.840 50 0 DCAARN Cc1cc(-c2noc(CNC(=O)CN3CCOC3=O)n2)no1 ZINC000225813506 395863739 /nfs/dbraw/zinc/86/37/39/395863739.db2.gz JPQWGTNACAKMEI-UHFFFAOYSA-N 0 0 307.266 0.101 50 0 DCAARN C[C@@H](C(=O)NCc1nc(-c2cc[nH]c(=O)c2)no1)n1cccn1 ZINC000225802772 395863755 /nfs/dbraw/zinc/86/37/55/395863755.db2.gz MGJKWVRGZDSKFV-VIFPVBQESA-N 0 0 314.305 0.499 50 0 DCAARN CCN1C(=O)COc2ccc(S(=O)(=O)NCCOC)cc21 ZINC000227162080 395868165 /nfs/dbraw/zinc/86/81/65/395868165.db2.gz XZVWSZBADROMJB-UHFFFAOYSA-N 0 0 314.363 0.357 50 0 DCAARN C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000229476789 395874501 /nfs/dbraw/zinc/87/45/01/395874501.db2.gz ZKVJFYFTQLADDN-QWHCGFSZSA-N 0 0 315.381 0.807 50 0 DCAARN c1cc(CN2CCN(c3ccc4nnnn4n3)CC2)cs1 ZINC000057369336 395943867 /nfs/dbraw/zinc/94/38/67/395943867.db2.gz YLTQSAKLGCILAX-UHFFFAOYSA-N 0 0 301.379 0.903 50 0 DCAARN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCCOC)C1 ZINC000057824142 395949071 /nfs/dbraw/zinc/94/90/71/395949071.db2.gz NLXDTNCGEMNIMD-AWEZNQCLSA-N 0 0 319.361 0.947 50 0 DCAARN COCCC(=O)N1CCC(n2c(=O)n(C)c3cncnc32)CC1 ZINC000065256853 395991246 /nfs/dbraw/zinc/99/12/46/395991246.db2.gz KDFULILCQKBSMD-UHFFFAOYSA-N 0 0 319.365 0.330 50 0 DCAARN COc1nccnc1NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000065268546 395991993 /nfs/dbraw/zinc/99/19/93/395991993.db2.gz DTXYIUIFXYQNKT-UHFFFAOYSA-N 0 0 312.395 0.854 50 0 DCAARN O=C(N[C@H]1CCCN(Cc2cccnc2)C1)c1c[nH]c(=O)cn1 ZINC000252509802 396022460 /nfs/dbraw/zinc/02/24/60/396022460.db2.gz YVZXAXYYIJRGKZ-ZDUSSCGKSA-N 0 0 313.361 0.972 50 0 DCAARN C[C@@H](CNC(=O)c1cnn(CC(F)(F)F)c1)N1CCOCC1 ZINC000252523244 396022493 /nfs/dbraw/zinc/02/24/93/396022493.db2.gz CEILQXZROKRXQU-JTQLQIEISA-N 0 0 320.315 0.896 50 0 DCAARN O=C1CC[C@H](NS(=O)(=O)N2CCC[C@H]2c2ccco2)CN1 ZINC000252676487 396023861 /nfs/dbraw/zinc/02/38/61/396023861.db2.gz XFSZJCBZJIQNNC-QWRGUYRKSA-N 0 0 313.379 0.530 50 0 DCAARN CCCN1CCN(c2nc(C)c(S(N)(=O)=O)s2)CC1 ZINC000253392541 396026339 /nfs/dbraw/zinc/02/63/39/396026339.db2.gz KWWBCXICCRYPDT-UHFFFAOYSA-N 0 0 304.441 0.631 50 0 DCAARN COC[C@@H]1CN(S(=O)(=O)c2c[nH]cn2)C[C@H]1c1ccncc1 ZINC000253414828 396027772 /nfs/dbraw/zinc/02/77/72/396027772.db2.gz YSZNLLRFVKKVCN-STQMWFEESA-N 0 0 322.390 0.855 50 0 DCAARN COC[C@@H]1CN(c2ncccn2)C[C@H]1C(=O)NCC(F)(F)F ZINC000253413867 396028049 /nfs/dbraw/zinc/02/80/49/396028049.db2.gz VWRODBMOEJJFGH-VHSXEESVSA-N 0 0 318.299 0.854 50 0 DCAARN CO[C@@H](C)CS(=O)(=O)N1CCC[C@H](c2nccn2C)C1 ZINC000253428354 396029004 /nfs/dbraw/zinc/02/90/04/396029004.db2.gz AEEGZCFAJOJCRK-RYUDHWBXSA-N 0 0 301.412 0.964 50 0 DCAARN Cc1ccc(C2(O)CCN(c3cncc(C(N)=O)n3)CC2)nc1 ZINC000067690592 396031026 /nfs/dbraw/zinc/03/10/26/396031026.db2.gz QGHQMFKTIUEKRP-UHFFFAOYSA-N 0 0 313.361 0.767 50 0 DCAARN CCn1nc(C(=O)[O-])c2c1CC[C@H]([NH2+]CCN1CCOC1=O)C2 ZINC000067739849 396032686 /nfs/dbraw/zinc/03/26/86/396032686.db2.gz XXGQOASINNCMSN-JTQLQIEISA-N 0 0 322.365 0.500 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)Cc2ccccc2F)C[C@H]1COC ZINC000257189278 396034961 /nfs/dbraw/zinc/03/49/61/396034961.db2.gz NOSJDQYWJFGSTK-QWHCGFSZSA-N 0 0 308.353 0.835 50 0 DCAARN C[C@@H](CN1CCc2ccccc2C1)NC(=O)CS(C)(=O)=O ZINC000067852188 396036397 /nfs/dbraw/zinc/03/63/97/396036397.db2.gz AYNOPMWATKNFLS-LBPRGKRZSA-N 0 0 310.419 0.594 50 0 DCAARN Cn1ccnc1CN1CC[C@H](CNC(=O)c2ccc(N)nc2)C1 ZINC000067982338 396041762 /nfs/dbraw/zinc/04/17/62/396041762.db2.gz HHIMGXDBCWELJG-GFCCVEGCSA-N 0 0 314.393 0.649 50 0 DCAARN C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)c1nnnn1C ZINC000252483811 396020107 /nfs/dbraw/zinc/02/01/07/396020107.db2.gz FIXIMQMZDZELOT-GFCCVEGCSA-N 0 0 315.381 0.803 50 0 DCAARN CS(=O)(=O)N1CCN(Cc2nnc(-c3cccnc3)o2)CC1 ZINC000252490746 396021067 /nfs/dbraw/zinc/02/10/67/396021067.db2.gz LACAGGKIXHIRKJ-UHFFFAOYSA-N 0 0 323.378 0.209 50 0 DCAARN O=C(CN1Cc2cnn(CCO)c2C1)Nc1ccc(Cl)cn1 ZINC000252500067 396021607 /nfs/dbraw/zinc/02/16/07/396021607.db2.gz SMSBYFRGSYVREU-UHFFFAOYSA-N 0 0 321.768 0.878 50 0 DCAARN CSCC[C@H](CO)NC(=O)c1ccc(-n2nnnc2C)cc1 ZINC000252505137 396021740 /nfs/dbraw/zinc/02/17/40/396021740.db2.gz VPICTHFPVHVUDV-GFCCVEGCSA-N 0 0 321.406 0.815 50 0 DCAARN CC1(C)CN(C(=O)[C@@H](CO)NC(=O)c2ccccc2)CCO1 ZINC000252497387 396021761 /nfs/dbraw/zinc/02/17/61/396021761.db2.gz QFKSEAYDXWGVTD-CYBMUJFWSA-N 0 0 306.362 0.415 50 0 DCAARN C[C@@H](NC(=O)c1cccc(OCC(F)F)n1)c1nnnn1C ZINC000252496501 396021831 /nfs/dbraw/zinc/02/18/31/396021831.db2.gz PJZZIPHZGRSEHX-SSDOTTSWSA-N 0 0 312.280 0.740 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000069739965 396088504 /nfs/dbraw/zinc/08/85/04/396088504.db2.gz HNULEOAEHNCRFP-HNNXBMFYSA-N 0 0 310.369 0.981 50 0 DCAARN COCc1nc(CCNS(=O)(=O)c2ccc(F)cc2)no1 ZINC000169768102 396090895 /nfs/dbraw/zinc/09/08/95/396090895.db2.gz WIQHQTGWJWCJGZ-UHFFFAOYSA-N 0 0 315.326 0.876 50 0 DCAARN CCn1ncc(N2CCC(NC(=O)CCOC)CC2)cc1=O ZINC000169762304 396091124 /nfs/dbraw/zinc/09/11/24/396091124.db2.gz CCQQWFDLFAJQRR-UHFFFAOYSA-N 0 0 308.382 0.385 50 0 DCAARN CN(C(=O)NCc1ccco1)[C@H]1CCc2nn(C)c(=O)n2CC1 ZINC000169783383 396091879 /nfs/dbraw/zinc/09/18/79/396091879.db2.gz OLZFMFVJNBRRPR-NSHDSACASA-N 0 0 319.365 0.721 50 0 DCAARN CS(=O)(=O)CCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000069819993 396092140 /nfs/dbraw/zinc/09/21/40/396092140.db2.gz RHTKBAASSKNMIO-OAHLLOKOSA-N 0 0 312.435 0.382 50 0 DCAARN COCCN1CC[C@@H](N2CCN(C(=O)C3CCC3)CC2)C1=O ZINC000169792275 396093365 /nfs/dbraw/zinc/09/33/65/396093365.db2.gz UHHKADGPUASICT-CQSZACIVSA-N 0 0 309.410 0.178 50 0 DCAARN COCc1nnc2n1CC[C@@H](NC(=O)c1nccn1C)CC2 ZINC000169790354 396093430 /nfs/dbraw/zinc/09/34/30/396093430.db2.gz IVBMRCAPLGYUSC-JTQLQIEISA-N 0 0 304.354 0.293 50 0 DCAARN O=S(=O)(CCCN1CCN(CCO)CC1)c1ccccc1 ZINC000069952221 396096374 /nfs/dbraw/zinc/09/63/74/396096374.db2.gz LCNNJRZAKULCBB-UHFFFAOYSA-N 0 0 312.435 0.460 50 0 DCAARN O=C(NCCc1ccccc1)C(=O)NCC1(O)CCOCC1 ZINC000070638994 396102834 /nfs/dbraw/zinc/10/28/34/396102834.db2.gz CFMCMGKSWCBCBR-UHFFFAOYSA-N 0 0 306.362 0.003 50 0 DCAARN C[C@@H](NC(=O)C(=O)NCC1(O)CCOCC1)c1ccccc1 ZINC000070638991 396102940 /nfs/dbraw/zinc/10/29/40/396102940.db2.gz BWBKWTSHYDEQRP-GFCCVEGCSA-N 0 0 306.362 0.522 50 0 DCAARN Cc1nnc(NC(=O)C2CN(C(=O)c3cnccn3)C2)s1 ZINC000070808899 396105260 /nfs/dbraw/zinc/10/52/60/396105260.db2.gz QGLZPQMJUHYLMO-UHFFFAOYSA-N 0 0 304.335 0.347 50 0 DCAARN Cc1cnn(C[C@H]2CN(CC(=O)NCc3ccco3)CCO2)c1 ZINC000071186459 396110839 /nfs/dbraw/zinc/11/08/39/396110839.db2.gz FSEXJEHYKZBDJY-OAHLLOKOSA-N 0 0 318.377 0.802 50 0 DCAARN CC[C@H](NC(=O)Cc1c[nH]c(=O)n(C)c1=O)c1cc(C)ccn1 ZINC000071762317 396114512 /nfs/dbraw/zinc/11/45/12/396114512.db2.gz QHRBRHSDFDXKOO-LBPRGKRZSA-N 0 0 316.361 0.587 50 0 DCAARN Cc1nccc(-c2cccc(NC(=O)[C@@H]3CNCC(=O)N3)c2)n1 ZINC000071774683 396114630 /nfs/dbraw/zinc/11/46/30/396114630.db2.gz VBOATOIKDJJGBQ-AWEZNQCLSA-N 0 0 311.345 0.479 50 0 DCAARN COc1cccc([C@@H]2CCCN2C(=O)CN2C(=O)CNC2=O)c1 ZINC000071794567 396115202 /nfs/dbraw/zinc/11/52/02/396115202.db2.gz UQJLZLWMAOPVAB-ZDUSSCGKSA-N 0 0 317.345 0.911 50 0 DCAARN Cc1cccc(OCCNC(=O)Cn2cnnc2[S@@](C)=O)c1 ZINC000071804142 396115595 /nfs/dbraw/zinc/11/55/95/396115595.db2.gz GLMHOEDFFXJIBJ-QFIPXVFZSA-N 0 0 322.390 0.519 50 0 DCAARN CCCc1cc(C(=O)N2CCC(N3CCNC3=O)CC2)[nH]n1 ZINC000071821359 396116301 /nfs/dbraw/zinc/11/63/01/396116301.db2.gz FHMAXLSHTVVUHE-UHFFFAOYSA-N 0 0 305.382 0.992 50 0 DCAARN NC(=O)[C@H]1CCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000071832837 396118074 /nfs/dbraw/zinc/11/80/74/396118074.db2.gz REQBPMZVELLCMA-CYBMUJFWSA-N 0 0 320.374 0.511 50 0 DCAARN COc1ncccc1C(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC000071841710 396118531 /nfs/dbraw/zinc/11/85/31/396118531.db2.gz IVPMZNQASNHYOJ-NSHDSACASA-N 0 0 304.350 0.720 50 0 DCAARN C[C@H]1CCCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2C)CC1 ZINC000071842056 396118550 /nfs/dbraw/zinc/11/85/50/396118550.db2.gz QYLGTZFTADKEKS-JTQLQIEISA-N 0 0 305.382 0.582 50 0 DCAARN CNc1cc2c(nn1)CCN(C(=O)c1ccc3c(c1)nnn3C)C2 ZINC000071860181 396119367 /nfs/dbraw/zinc/11/93/67/396119367.db2.gz HACCCHDONJRKRF-UHFFFAOYSA-N 0 0 323.360 0.999 50 0 DCAARN Cc1cnn(C[C@@H]2CCCCN2C(=O)c2ccc(=O)n(C)n2)c1 ZINC000071865656 396119672 /nfs/dbraw/zinc/11/96/72/396119672.db2.gz RVAZAPLTJVHCAF-ZDUSSCGKSA-N 0 0 315.377 0.980 50 0 DCAARN CN(C)c1cc2c(nn1)CCN(C(=O)COc1cccnc1)C2 ZINC000071871670 396120842 /nfs/dbraw/zinc/12/08/42/396120842.db2.gz SKDLCZABODXQHC-UHFFFAOYSA-N 0 0 313.361 0.901 50 0 DCAARN CC(C)c1nc2c(n1C)CCN([C@@H]1CS(=O)(=O)C[C@@H]1O)C2 ZINC000071880219 396122278 /nfs/dbraw/zinc/12/22/78/396122278.db2.gz YQCBHCDFIQSWJP-OLZOCXBDSA-N 0 0 313.423 0.060 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)[C@@H](C)S(=O)(=O)C(C)C)CC1 ZINC000071881146 396122825 /nfs/dbraw/zinc/12/28/25/396122825.db2.gz RBAGXJARKDJCSA-CHWSQXEVSA-N 0 0 320.455 0.113 50 0 DCAARN CC(=O)c1ccccc1NC(=O)CN1CCCS(=O)(=O)CC1 ZINC000071893653 396123705 /nfs/dbraw/zinc/12/37/05/396123705.db2.gz UMKZRWYSYWHGJY-UHFFFAOYSA-N 0 0 324.402 0.948 50 0 DCAARN Cc1nc(CN2CCC[C@H](N(C)[C@@H]3C[C@H](C)OC3=O)C2)no1 ZINC000072234573 396127372 /nfs/dbraw/zinc/12/73/72/396127372.db2.gz CYKUPQXYNMCGJM-WCFLWFBJSA-N 0 0 308.382 0.978 50 0 DCAARN CC(C)N1N=C(C(=O)N[C@@H]2CCc3nccn3C2)CCC1=O ZINC000072271687 396129056 /nfs/dbraw/zinc/12/90/56/396129056.db2.gz OYQGCHQHCLSPGS-LLVKDONJSA-N 0 0 303.366 0.701 50 0 DCAARN O=C(C[C@@H]1CCc2ccccc21)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000072290742 396130051 /nfs/dbraw/zinc/13/00/51/396130051.db2.gz LMYILKIKAJYZHT-YVEFUNNKSA-N 0 0 313.357 0.917 50 0 DCAARN C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)CCCn2ccnc2)CC1 ZINC000072297615 396131009 /nfs/dbraw/zinc/13/10/09/396131009.db2.gz JMBMPNDOLWELNT-ZIAGYGMSSA-N 0 0 304.394 0.990 50 0 DCAARN O=C(CCCN1C(=O)c2nccnc2C1=O)Nc1nccs1 ZINC000072402394 396131633 /nfs/dbraw/zinc/13/16/33/396131633.db2.gz WTTHOEYTCWCGDH-UHFFFAOYSA-N 0 0 317.330 0.948 50 0 DCAARN CCC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCCNC2=O)c1 ZINC000069337336 396075472 /nfs/dbraw/zinc/07/54/72/396075472.db2.gz JQVVXTXOESQXRW-LLVKDONJSA-N 0 0 305.334 0.749 50 0 DCAARN C[C@H](NC(=O)CC1CCCCC1)C(=O)NCC(=O)NC1CC1 ZINC000069349534 396075964 /nfs/dbraw/zinc/07/59/64/396075964.db2.gz AETHURCDSPETNW-NSHDSACASA-N 0 0 309.410 0.856 50 0 DCAARN O=C(CN1CCO[C@@H](Cn2cccn2)C1)NCc1ccccn1 ZINC000069391629 396077577 /nfs/dbraw/zinc/07/75/77/396077577.db2.gz AIAONXMLZZRZPD-OAHLLOKOSA-N 0 0 315.377 0.295 50 0 DCAARN COc1c(CNCC(=O)N2CCN(C)CC2)c(C(C)C)nn1C ZINC000069510878 396081131 /nfs/dbraw/zinc/08/11/31/396081131.db2.gz BBGBQLWESJAOOO-UHFFFAOYSA-N 0 0 323.441 0.416 50 0 DCAARN CCOc1ccnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000069518302 396081282 /nfs/dbraw/zinc/08/12/82/396081282.db2.gz GRZMAZJWQGGUTJ-LBPRGKRZSA-N 0 0 306.366 0.703 50 0 DCAARN COC(=O)CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000069513491 396081296 /nfs/dbraw/zinc/08/12/96/396081296.db2.gz WDVYDDCXQSZHED-GFCCVEGCSA-N 0 0 320.345 0.333 50 0 DCAARN O=C(COc1ccccc1F)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000069558699 396082824 /nfs/dbraw/zinc/08/28/24/396082824.db2.gz DCVMQLGJGHYYBN-NSHDSACASA-N 0 0 306.293 0.611 50 0 DCAARN Cc1cc(NC(=O)CN2CCC[C@@H]2Cn2cncn2)n(C)n1 ZINC000069589576 396083949 /nfs/dbraw/zinc/08/39/49/396083949.db2.gz XSWHYVGSJBORHP-GFCCVEGCSA-N 0 0 303.370 0.423 50 0 DCAARN CCn1c(CN2CCN(CC(N)=O)CC2)nc2c1cccc2F ZINC000069595729 396084836 /nfs/dbraw/zinc/08/48/36/396084836.db2.gz DIUQASFAKNLNPC-UHFFFAOYSA-N 0 0 319.384 0.798 50 0 DCAARN C[C@H](NC(=O)c1nccnc1N)C(=O)N1CCc2ccccc21 ZINC000069617152 396084900 /nfs/dbraw/zinc/08/49/00/396084900.db2.gz VYQUJHWEXYJWBX-JTQLQIEISA-N 0 0 311.345 0.766 50 0 DCAARN Cc1ccc(C(=O)NC[C@H](O)COc2cccc(F)c2)c(=O)[nH]1 ZINC000075121019 396176844 /nfs/dbraw/zinc/17/68/44/396176844.db2.gz VCZYTZVBXBVBLC-LBPRGKRZSA-N 0 0 320.320 0.992 50 0 DCAARN CC(C)S(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000075583603 396181621 /nfs/dbraw/zinc/18/16/21/396181621.db2.gz BZAKTUKRWBOISQ-VXGBXAGGSA-N 0 0 314.411 0.653 50 0 DCAARN CC(=O)N1CCC(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)CC1 ZINC000076048413 396193590 /nfs/dbraw/zinc/19/35/90/396193590.db2.gz PNEDSASPKBCAJK-CQSZACIVSA-N 0 0 307.398 0.745 50 0 DCAARN COCCN(Cc1cccnc1)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000076074164 396195813 /nfs/dbraw/zinc/19/58/13/396195813.db2.gz VAACWRUODQFPEM-LBPRGKRZSA-N 0 0 308.382 0.716 50 0 DCAARN CC(C)c1nnc([C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)[nH]1 ZINC000078888972 396255776 /nfs/dbraw/zinc/25/57/76/396255776.db2.gz IYAMPXPNEZWRGJ-UWVGGRQHSA-N 0 0 307.354 0.107 50 0 DCAARN CN(CC1CC1)C(=O)CN1CCO[C@@H](CNc2cccnn2)C1 ZINC000078893729 396257098 /nfs/dbraw/zinc/25/70/98/396257098.db2.gz QZVXVEMEODMXBX-AWEZNQCLSA-N 0 0 319.409 0.458 50 0 DCAARN CN(CC(F)(F)F)C(=O)CNC(=O)NCc1ccncc1 ZINC000078932901 396258573 /nfs/dbraw/zinc/25/85/73/396258573.db2.gz HZVXKEBJMURWRL-UHFFFAOYSA-N 0 0 304.272 0.902 50 0 DCAARN O=C(NCCCO)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000080551703 396282368 /nfs/dbraw/zinc/28/23/68/396282368.db2.gz DJCFXADYTMANAF-RBSFLKMASA-N 0 0 317.389 0.825 50 0 DCAARN Cc1nsc(N2CCN(c3ncnc4nc[nH]c43)CC2)n1 ZINC000079017181 396260232 /nfs/dbraw/zinc/26/02/32/396260232.db2.gz TUCIFQOZMIOCBV-UHFFFAOYSA-N 0 0 302.367 0.839 50 0 DCAARN CCn1c(N)nc2cc(C(=O)NCCCC(=O)NC)cnc21 ZINC000077391888 396220521 /nfs/dbraw/zinc/22/05/21/396220521.db2.gz FLAJKBLQEQNFOI-UHFFFAOYSA-N 0 0 304.354 0.289 50 0 DCAARN CN(Cc1cc(-c2cccnc2)no1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000077407637 396221525 /nfs/dbraw/zinc/22/15/25/396221525.db2.gz IRAJQTFITYOOHM-ZDUSSCGKSA-N 0 0 315.333 0.719 50 0 DCAARN Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@]2(CC(=O)NC2=O)C1 ZINC000077425280 396222338 /nfs/dbraw/zinc/22/23/38/396222338.db2.gz SYSFDLULBZHKGU-OAHLLOKOSA-N 0 0 304.350 0.224 50 0 DCAARN Cn1c(=O)c(C(=O)N2CCOC[C@H](CO)C2)cc2c1CCCC2 ZINC000077438818 396222531 /nfs/dbraw/zinc/22/25/31/396222531.db2.gz QUYXBVIQWCCGQD-LBPRGKRZSA-N 0 0 320.389 0.345 50 0 DCAARN O=C(N[C@@H]1CCN(c2ncccc2F)C[C@H]1O)c1ccccn1 ZINC000077485145 396224154 /nfs/dbraw/zinc/22/41/54/396224154.db2.gz URWQBFILHSFYBK-TZMCWYRMSA-N 0 0 316.336 0.985 50 0 DCAARN O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC[C@H]1CCn1cccn1 ZINC000077486179 396224236 /nfs/dbraw/zinc/22/42/36/396224236.db2.gz SKUILHAAZCJIKC-NSHDSACASA-N 0 0 317.349 0.757 50 0 DCAARN Cc1nc[nH]c1C(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000077538330 396225640 /nfs/dbraw/zinc/22/56/40/396225640.db2.gz QIEBLMFMPXKRDG-LLVKDONJSA-N 0 0 316.365 0.068 50 0 DCAARN Cc1nc[nH]c1C(=O)NC[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000077538326 396225738 /nfs/dbraw/zinc/22/57/38/396225738.db2.gz QIEBLMFMPXKRDG-NSHDSACASA-N 0 0 316.365 0.068 50 0 DCAARN CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)nn1 ZINC000180575537 396232541 /nfs/dbraw/zinc/23/25/41/396232541.db2.gz WPCZKFPQNYHJGW-LLVKDONJSA-N 0 0 323.397 0.442 50 0 DCAARN COC(=O)[C@@H]1N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]12 ZINC000526056051 396531754 /nfs/dbraw/zinc/53/17/54/396531754.db2.gz IMQDAAWGDZBTAQ-UMSGYPCISA-N 0 0 302.330 0.412 50 0 DCAARN COC(=O)[C@H]1N[C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000526056122 396531758 /nfs/dbraw/zinc/53/17/58/396531758.db2.gz ZEZMVPHAUKHCOT-VOAKCMCISA-N 0 0 318.329 0.112 50 0 DCAARN COCCN1C[C@@H](CNC(=O)c2cnc(C3CC3)nc2)CC1=O ZINC000584884278 396631640 /nfs/dbraw/zinc/63/16/40/396631640.db2.gz ZNABICFINKBUNK-LLVKDONJSA-N 0 0 318.377 0.579 50 0 DCAARN Cc1ncncc1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000584887910 396633299 /nfs/dbraw/zinc/63/32/99/396633299.db2.gz SXFDWHRRFBYTTD-UHFFFAOYSA-N 0 0 318.377 0.496 50 0 DCAARN COCCc1noc(CNC(=O)N(C)CCn2ccnc2C)n1 ZINC000584895753 396635039 /nfs/dbraw/zinc/63/50/39/396635039.db2.gz LQUDLCCDONNZNK-UHFFFAOYSA-N 0 0 322.369 0.605 50 0 DCAARN COC[C@H](C)NC(=O)C1CCN(C(=O)c2c(C)ncn2C)CC1 ZINC000584897083 396635860 /nfs/dbraw/zinc/63/58/60/396635860.db2.gz NQAACSPJXMQBJV-NSHDSACASA-N 0 0 322.409 0.732 50 0 DCAARN Cc1nc(-c2cccnc2)ncc1C(=O)N[C@H]1COC[C@@H]1O ZINC000584900842 396636196 /nfs/dbraw/zinc/63/61/96/396636196.db2.gz HHVOPHJMVGKBSB-STQMWFEESA-N 0 0 300.318 0.337 50 0 DCAARN COCCn1cnnc1[C@H](C)n1cnc2ccncc2c1=O ZINC000584903840 396637224 /nfs/dbraw/zinc/63/72/24/396637224.db2.gz NTDZXKZZLNQQFV-JTQLQIEISA-N 0 0 300.322 0.639 50 0 DCAARN CC(=O)N1CCC[C@H]1C(=O)N1CCCN(C(=O)C2CCC2)CC1 ZINC000584903148 396637269 /nfs/dbraw/zinc/63/72/69/396637269.db2.gz PQHQGOVIQFDMAH-HNNXBMFYSA-N 0 0 321.421 0.858 50 0 DCAARN Cc1nccc(O[C@@H]2CCN(C(=O)Cn3ncccc3=O)C2)n1 ZINC000585147198 396642283 /nfs/dbraw/zinc/64/22/83/396642283.db2.gz YJAVIBCYIBJYGD-GFCCVEGCSA-N 0 0 315.333 0.022 50 0 DCAARN Cc1nn(C)c(N)c1C(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000375032638 396705850 /nfs/dbraw/zinc/70/58/50/396705850.db2.gz WRKFCQRFYANLAE-CYBMUJFWSA-N 0 0 313.361 0.624 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC2(CCOCC2)CC1 ZINC000375284974 396724117 /nfs/dbraw/zinc/72/41/17/396724117.db2.gz XQLQMYMQVIIILC-NSHDSACASA-N 0 0 309.366 0.394 50 0 DCAARN CCOC(=O)C1CCN(Cc2cn(-c3cnnn3C)nn2)CC1 ZINC000600969270 396975543 /nfs/dbraw/zinc/97/55/43/396975543.db2.gz CANWLUUKWGVPKV-UHFFFAOYSA-N 0 0 319.369 0.171 50 0 DCAARN CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCS[C@@H](C)C1 ZINC000390835433 397303385 /nfs/dbraw/zinc/30/33/85/397303385.db2.gz GWBHOMGPKMYLCZ-QWRGUYRKSA-N 0 0 315.439 0.357 50 0 DCAARN COc1cc(OC)nc(N2CCC3(C[NH2+][C@H](C(=O)[O-])C3)CC2)n1 ZINC000091829351 286242470 /nfs/dbraw/zinc/24/24/70/286242470.db2.gz QMUQLAZPQRXHBU-JTQLQIEISA-N 0 0 322.365 0.527 50 0 DCAARN COc1cccc(-c2nc3n(c2C(N)=O)CCS3(=O)=O)c1 ZINC000035477064 286438718 /nfs/dbraw/zinc/43/87/18/286438718.db2.gz JTOCSRAAAITKGK-UHFFFAOYSA-N 0 0 307.331 0.445 50 0 DCAARN COc1cccc([C@@H]2NC(=O)Nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000036559083 286464495 /nfs/dbraw/zinc/46/44/95/286464495.db2.gz AETUCXFCLQCICV-JTQLQIEISA-N 0 0 302.290 0.307 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1ncc[nH]1 ZINC000135072783 158334303 /nfs/dbraw/zinc/33/43/03/158334303.db2.gz UBOFJFAJLZFGFW-LLVKDONJSA-N 0 0 314.411 0.273 50 0 DCAARN CC(=O)c1ccc(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)s1 ZINC000330503962 159182674 /nfs/dbraw/zinc/18/26/74/159182674.db2.gz DGBNXAPTLRPCRP-SECBINFHSA-N 0 0 316.404 0.844 50 0 DCAARN CC1(C)COCCN1S(=O)(=O)CCCN1CCOCC1 ZINC000408149902 160048154 /nfs/dbraw/zinc/04/81/54/160048154.db2.gz NMDDOESCNOJBRB-UHFFFAOYSA-N 0 0 306.428 0.149 50 0 DCAARN COCCN1CCC[C@@]2(CCN(C(=O)c3ccn(C)n3)C2)C1=O ZINC000091409852 292532446 /nfs/dbraw/zinc/53/24/46/292532446.db2.gz WWEZWKORQKGFRW-INIZCTEOSA-N 0 0 320.393 0.521 50 0 DCAARN C[C@@H]1CN(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CCO1 ZINC000025837559 415164552 /nfs/dbraw/zinc/16/45/52/415164552.db2.gz OUSCTMWKKDOGBA-SNVBAGLBSA-N 0 0 321.333 0.784 50 0 DCAARN Cn1c([O-])c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=O ZINC000020412348 415156027 /nfs/dbraw/zinc/15/60/27/415156027.db2.gz WXNNBDUPPXJWHN-ZDUSSCGKSA-N 0 0 312.329 0.496 50 0 biogenic DCAARN Cc1cc(CN(C)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)no1 ZINC000025137899 415156724 /nfs/dbraw/zinc/15/67/24/415156724.db2.gz BVBHDIABFNRBMK-AATRIKPKSA-N 0 0 318.333 0.052 50 0 DCAARN CN1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000025461250 415161652 /nfs/dbraw/zinc/16/16/52/415161652.db2.gz RXDJEWSQRIMMOI-UHFFFAOYSA-N 0 0 300.362 0.630 50 0 DCAARN COC(=O)c1ccc2c(c1)N(CC(=O)NC(C)=O)C(=O)CS2 ZINC000003055115 415127287 /nfs/dbraw/zinc/12/72/87/415127287.db2.gz OJZRBYLARWBFAA-UHFFFAOYSA-N 0 0 322.342 0.575 50 0 DCAARN CCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000005000692 415127381 /nfs/dbraw/zinc/12/73/81/415127381.db2.gz RARIFNXRKXXACV-UHFFFAOYSA-N 0 0 300.336 0.317 50 0 DCAARN COC(=O)CCCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000007304534 415138325 /nfs/dbraw/zinc/13/83/25/415138325.db2.gz SAONCHUELBUCRM-UHFFFAOYSA-N 0 0 314.363 0.877 50 0 DCAARN COCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC ZINC000007458511 415139823 /nfs/dbraw/zinc/13/98/23/415139823.db2.gz SGPLPKVKTGCUEU-UHFFFAOYSA-N 0 0 321.308 0.756 50 0 DCAARN CCc1c(C)nc(-n2nc(C)cc2NC(=O)COC)[nH]c1=O ZINC000007421668 415141622 /nfs/dbraw/zinc/14/16/22/415141622.db2.gz CATMSRXFYWFGQX-UHFFFAOYSA-N 0 0 305.338 0.720 50 0 DCAARN O=C(CN1CSCC1=O)N1CCN(c2ccccc2)CC1 ZINC000009468744 415143654 /nfs/dbraw/zinc/14/36/54/415143654.db2.gz HHJXNCRIBOWWFV-UHFFFAOYSA-N 0 0 305.403 0.868 50 0 DCAARN COCCCNC(=O)C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000009060104 415145034 /nfs/dbraw/zinc/14/50/34/415145034.db2.gz WQQGLUFDQBBGGS-UHFFFAOYSA-N 0 0 318.381 0.722 50 0 DCAARN COc1ccc(-c2nc3ncc4c(ccn(N)c4=O)n3n2)cc1 ZINC000013691236 415147552 /nfs/dbraw/zinc/14/75/52/415147552.db2.gz IQNPTSANPOFNGK-UHFFFAOYSA-N 0 0 308.301 0.829 50 0 DCAARN CCc1ccc(C(=O)Cn2cnc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000027525424 415172461 /nfs/dbraw/zinc/17/24/61/415172461.db2.gz JPKZIHFFBRWYAC-UHFFFAOYSA-N 0 0 312.329 0.869 50 0 DCAARN CSCC[C@H]([NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000027744102 415174761 /nfs/dbraw/zinc/17/47/61/415174761.db2.gz PESQCPHRXOFIPX-NWDGAFQWSA-N 0 0 312.391 0.585 50 0 endogenous,in-man DCAARN C[C@H](CNS(=O)(=O)c1cc(F)cc(F)c1)N1CCOCC1 ZINC000030338124 415181473 /nfs/dbraw/zinc/18/14/73/415181473.db2.gz BTPQVKLAOXKLFS-SNVBAGLBSA-N 0 0 320.361 0.964 50 0 DCAARN C[C@@H]1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000032796381 415186198 /nfs/dbraw/zinc/18/61/98/415186198.db2.gz SZBZMJNIZKWIQI-SNVBAGLBSA-N 0 0 316.361 0.504 50 0 DCAARN Cc1cccc(C(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)n1 ZINC000042394934 415205055 /nfs/dbraw/zinc/20/50/55/415205055.db2.gz YTJGJEVGDSNWBM-HOCLYGCPSA-N 0 0 319.405 0.857 50 0 DCAARN CN(Cc1cccnc1)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000044364875 415218639 /nfs/dbraw/zinc/21/86/39/415218639.db2.gz HTYQHAOSYAIZGU-ZDUSSCGKSA-N 0 0 311.407 0.712 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000044386885 415219897 /nfs/dbraw/zinc/21/98/97/415219897.db2.gz LFBQMPAYLFXLQH-LBPRGKRZSA-N 0 0 314.411 0.050 50 0 DCAARN CN1N=C(C(=O)NCc2ccnc(-n3cccn3)c2)CCC1=O ZINC000044913496 415233016 /nfs/dbraw/zinc/23/30/16/415233016.db2.gz ABJGPZMGRPNTKB-UHFFFAOYSA-N 0 0 312.333 0.492 50 0 DCAARN O=C(Nc1ccc(N2CCNC(=O)C2)cc1)c1ccc[nH]c1=O ZINC000044917703 415234224 /nfs/dbraw/zinc/23/42/24/415234224.db2.gz LDOBQDAOWLHKSR-UHFFFAOYSA-N 0 0 312.329 0.563 50 0 DCAARN COc1ccc([C@@H](O)CNC(=O)c2ccn(C)c(=O)c2)cc1 ZINC000044918879 415234293 /nfs/dbraw/zinc/23/42/93/415234293.db2.gz ZAQVSVIYKOPTPJ-AWEZNQCLSA-N 0 0 302.330 0.857 50 0 DCAARN COc1cccc(S(=O)(=O)Cc2nc(N)nc(N(C)C)n2)c1 ZINC000044947629 415234512 /nfs/dbraw/zinc/23/45/12/415234512.db2.gz FYAVCEVWWCBZTL-UHFFFAOYSA-N 0 0 323.378 0.502 50 0 DCAARN Cc1ncc2c(n1)CCN(Cn1nnc3ccccc3c1=O)C2 ZINC000044979259 415239466 /nfs/dbraw/zinc/23/94/66/415239466.db2.gz TXBSRQZBWZINGY-UHFFFAOYSA-N 0 0 308.345 0.906 50 0 DCAARN C[C@H](C(=O)NC[C@H](C)N1CCc2ccccc21)S(C)(=O)=O ZINC000044952179 415240260 /nfs/dbraw/zinc/24/02/60/415240260.db2.gz SBHIWGXQICCJPH-NWDGAFQWSA-N 0 0 310.419 0.987 50 0 DCAARN O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)Nc1ccncc1 ZINC000044967835 415240957 /nfs/dbraw/zinc/24/09/57/415240957.db2.gz FXJYSNDRWBJSAY-ZFWWWQNUSA-N 0 0 320.393 0.940 50 0 DCAARN CC(C)N1C[C@H](C(=O)NCCN2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000046194775 415253701 /nfs/dbraw/zinc/25/37/01/415253701.db2.gz FTJRBIRWJFGBDZ-HZSPNIEDSA-N 0 0 311.426 0.469 50 0 DCAARN C[S@@](=O)c1nncn1CC(=O)N1CCc2ccccc2C1 ZINC000332129218 415259088 /nfs/dbraw/zinc/25/90/88/415259088.db2.gz GNCDXEVVECHPAP-OAQYLSRUSA-N 0 0 304.375 0.600 50 0 DCAARN CS(=O)(=O)N1CCC[C@H](C(=O)NOCc2ccccc2)C1 ZINC000044375694 415222186 /nfs/dbraw/zinc/22/21/86/415222186.db2.gz CIKUBMZLBVSRPD-ZDUSSCGKSA-N 0 0 312.391 0.906 50 0 DCAARN COc1cccc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000044456966 415222294 /nfs/dbraw/zinc/22/22/94/415222294.db2.gz FPHGAPBCAQCSSZ-JTQLQIEISA-N 0 0 319.404 0.408 50 0 DCAARN O=C(Cn1cccn1)N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000044454643 415222678 /nfs/dbraw/zinc/22/26/78/415222678.db2.gz FCYCCAMXFMARHV-UHFFFAOYSA-N 0 0 318.299 0.800 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cnc2ccc(F)cc2c1O ZINC000044891630 415227513 /nfs/dbraw/zinc/22/75/13/415227513.db2.gz BXTSXVWJKHJNAT-SECBINFHSA-N 0 0 324.333 0.584 50 0 DCAARN CN(CCOc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000044891107 415229073 /nfs/dbraw/zinc/22/90/73/415229073.db2.gz XUUWCQXNBBVUGG-GFCCVEGCSA-N 0 0 312.391 0.894 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000044889370 415229189 /nfs/dbraw/zinc/22/91/89/415229189.db2.gz RWLMCCAMBIUJJG-LLVKDONJSA-N 0 0 308.359 0.488 50 0 DCAARN NC(=O)[C@@H]1CCCCN1Cc1nnnn1Cc1ccccc1 ZINC000044892679 415229695 /nfs/dbraw/zinc/22/96/95/415229695.db2.gz YFWOOLXYOHBPRW-ZDUSSCGKSA-N 0 0 300.366 0.561 50 0 DCAARN Cn1ccc(NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)n1 ZINC000044896282 415231812 /nfs/dbraw/zinc/23/18/12/415231812.db2.gz OSWWFDWRBOJJDJ-LLVKDONJSA-N 0 0 317.271 0.932 50 0 DCAARN C[C@@H](Cc1ccco1)NC(=O)NC1CCN(CC(N)=O)CC1 ZINC000044914882 415231935 /nfs/dbraw/zinc/23/19/35/415231935.db2.gz KDSDHETZBRTGDL-NSHDSACASA-N 0 0 308.382 0.460 50 0 DCAARN O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1ccncc1 ZINC000044911462 415232130 /nfs/dbraw/zinc/23/21/30/415232130.db2.gz MFGWDIFEUZZWRK-CABCVRRESA-N 0 0 305.378 0.549 50 0 DCAARN CC(C)N1C[C@H](C(=O)N2CCN(c3cnccn3)CC2)CC1=O ZINC000044913327 415232216 /nfs/dbraw/zinc/23/22/16/415232216.db2.gz BQTUBAGXMLCMRI-CYBMUJFWSA-N 0 0 317.393 0.382 50 0 DCAARN C[C@H](CNC(=O)N=c1[nH]c2ccccc2[nH]1)N1CCOCC1 ZINC000048289185 415287818 /nfs/dbraw/zinc/28/78/18/415287818.db2.gz DHKCVCXDRQOABC-LLVKDONJSA-N 0 0 303.366 0.827 50 0 DCAARN CC(C)CN(CC(N)=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000052536241 415316331 /nfs/dbraw/zinc/31/63/31/415316331.db2.gz HDKRPAJVMVINFZ-UONOGXRCSA-N 0 0 311.426 0.600 50 0 DCAARN Cc1nc2sc3c(c2c(N2CCN[C@@H](C(N)=O)C2)n1)CCC3 ZINC000057386253 415336572 /nfs/dbraw/zinc/33/65/72/415336572.db2.gz NZARCBNYUMXPOP-SNVBAGLBSA-N 0 0 317.418 0.752 50 0 DCAARN C[C@H]1CCc2[nH]nc(C(=O)N3C[C@@H]4C[C@H](O)[C@@H](O)C[C@@H]4C3)c2C1 ZINC000071405805 415408430 /nfs/dbraw/zinc/40/84/30/415408430.db2.gz CKUHDYOKAKWACP-VHKOSHJNSA-N 0 0 319.405 0.738 50 0 DCAARN CC(C)C1=NO[C@H](C(=O)N2CCN(CCn3cncn3)CC2)C1 ZINC000067675102 415377247 /nfs/dbraw/zinc/37/72/47/415377247.db2.gz VBLQVQIAUWVZGX-AWEZNQCLSA-N 0 0 320.397 0.223 50 0 DCAARN COc1c(C)cc(C(=O)N2CCNC(=O)[C@@H]2CCO)cc1C ZINC000067675927 415378169 /nfs/dbraw/zinc/37/81/69/415378169.db2.gz RQXOPMNLVSYCAL-ZDUSSCGKSA-N 0 0 306.362 0.635 50 0 DCAARN Cc1ccccc1[C@H]1CCN(CCNC(=O)CS(C)(=O)=O)C1 ZINC000067695297 415383075 /nfs/dbraw/zinc/38/30/75/415383075.db2.gz JYZDVZNCMLUQDJ-AWEZNQCLSA-N 0 0 324.446 0.945 50 0 DCAARN NC(=O)C(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000067820650 415387347 /nfs/dbraw/zinc/38/73/47/415387347.db2.gz TYVIRWHLWAJUHH-UHFFFAOYSA-N 0 0 313.313 0.661 50 0 DCAARN C[NH+](C)[C@H]1CCN(C(=O)c2cc(CN3CCOCC3)on2)C1 ZINC000067895821 415390269 /nfs/dbraw/zinc/39/02/69/415390269.db2.gz UZBWIEYUVNXYES-LBPRGKRZSA-N 0 0 308.382 0.283 50 0 DCAARN O=C(N[C@@H]1CCOC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000082350396 415490080 /nfs/dbraw/zinc/49/00/80/415490080.db2.gz FYQDEWRUCJAWFD-CYBMUJFWSA-N 0 0 324.402 0.990 50 0 DCAARN Cc1cc(NC(=O)CN2c3ccccc3C[C@H]2C(N)=O)n(C)n1 ZINC000075138971 415438143 /nfs/dbraw/zinc/43/81/43/415438143.db2.gz GOKKNIRXVLFKBQ-ZDUSSCGKSA-N 0 0 313.361 0.584 50 0 DCAARN CCO[C@@H]1C[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1(C)C ZINC000075143245 415439637 /nfs/dbraw/zinc/43/96/37/415439637.db2.gz LACPVOGDQXEZJK-NWDGAFQWSA-N 0 0 323.397 0.300 50 0 DCAARN C[C@H](COCc1ccccc1)C(=O)N1CCN(CCO)CC1 ZINC000075572792 415446417 /nfs/dbraw/zinc/44/64/17/415446417.db2.gz SWDNIHMLQPHPSD-OAHLLOKOSA-N 0 0 306.406 0.976 50 0 DCAARN Cc1n[nH]c(C)c1[C@H](N)C(=O)N1CCN(c2ncccn2)CC1 ZINC000091494131 415532999 /nfs/dbraw/zinc/53/29/99/415532999.db2.gz IGVNIZQTAXATAX-ZDUSSCGKSA-N 0 0 315.381 0.165 50 0 DCAARN COCCN(C)CC(=O)N1CCC2(CC1)OCCC[C@H]2O ZINC000092028061 415537982 /nfs/dbraw/zinc/53/79/82/415537982.db2.gz GVQUVIUPWDNMPX-CYBMUJFWSA-N 0 0 300.399 0.097 50 0 DCAARN Cc1c(C(=O)N2CC[C@]3(C2)CCCN(CCO)C3=O)ccn1C ZINC000091691467 415538809 /nfs/dbraw/zinc/53/88/09/415538809.db2.gz DWCHPWVFKIASOX-KRWDZBQOSA-N 0 0 319.405 0.781 50 0 DCAARN C[N@@H+]1CCCN(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC000092065479 415539955 /nfs/dbraw/zinc/53/99/55/415539955.db2.gz YHJWDNUOSODGES-UONOGXRCSA-N 0 0 309.410 0.193 50 0 DCAARN C[C@H]1C[C@H](C)CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000095098727 415549631 /nfs/dbraw/zinc/54/96/31/415549631.db2.gz IACWJRHJSMKDEU-UWVGGRQHSA-N 0 0 305.382 0.438 50 0 DCAARN Cc1cc(C[NH+]2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)on1 ZINC000095360631 415553745 /nfs/dbraw/zinc/55/37/45/415553745.db2.gz AACGETNIYBHCDM-LBPRGKRZSA-N 0 0 307.350 0.881 50 0 DCAARN COCC(=O)N1CCC(C(=O)N2CC(c3ccccn3)C2)CC1 ZINC000095359115 415554265 /nfs/dbraw/zinc/55/42/65/415554265.db2.gz GDDPPXUWBAHBOO-UHFFFAOYSA-N 0 0 317.389 0.892 50 0 DCAARN O=C(CN1CCC(c2nnc3n2CCC3)CC1)NCC1CC1 ZINC000095953921 415562402 /nfs/dbraw/zinc/56/24/02/415562402.db2.gz PTPLNDDDWQVDGG-UHFFFAOYSA-N 0 0 303.410 0.930 50 0 DCAARN CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)NCC(F)(F)F ZINC000095943931 415565275 /nfs/dbraw/zinc/56/52/75/415565275.db2.gz SKNBWSDJMGTWFO-JTQLQIEISA-N 0 0 300.277 0.941 50 0 DCAARN Cn1c(=O)cc(C(=O)N2CCC[C@@H]2c2nccs2)n(C)c1=O ZINC000095531502 415565864 /nfs/dbraw/zinc/56/58/64/415565864.db2.gz NUROKABWKZLVQM-SECBINFHSA-N 0 0 320.374 0.518 50 0 DCAARN COCC[C@@H](Nc1nc2ccccc2c2nc(C)nn21)C(N)=O ZINC000095986746 415567607 /nfs/dbraw/zinc/56/76/07/415567607.db2.gz ZYDICYJBLNQGSM-GFCCVEGCSA-N 0 0 314.349 0.888 50 0 DCAARN CC(C)N(CCS(C)(=O)=O)C(=O)NCc1ccn(C)c1 ZINC000095982146 415568381 /nfs/dbraw/zinc/56/83/81/415568381.db2.gz JXWHXKQPQNNHBU-UHFFFAOYSA-N 0 0 301.412 0.990 50 0 DCAARN COCc1cc(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)ccc1F ZINC000095980267 415568687 /nfs/dbraw/zinc/56/86/87/415568687.db2.gz ZGLARBKBVNOSLN-LLVKDONJSA-N 0 0 324.352 0.637 50 0 DCAARN CCO[C@@H](C)C(=O)NCC(CNC(=O)[C@H](C)OCC)OC ZINC000096010622 415573852 /nfs/dbraw/zinc/57/38/52/415573852.db2.gz MRJCXINXHLDZDA-QWRGUYRKSA-N 0 0 304.387 0.084 50 0 DCAARN O=C(CN1CCNC(=O)[C@H]1c1cccs1)NC[C@H]1CCCO1 ZINC000333298865 415603894 /nfs/dbraw/zinc/60/38/94/415603894.db2.gz MBUNONNCZYAQKU-BXUZGUMPSA-N 0 0 323.418 0.516 50 0 DCAARN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCCCn1cccn1 ZINC000103098527 415607178 /nfs/dbraw/zinc/60/71/78/415607178.db2.gz HKMNNAPCGRZHRW-BETUJISGSA-N 0 0 318.377 0.565 50 0 DCAARN Cn1cnc2cc(C(=O)N3CC[NH2+]C[C@@H](C(=O)[O-])C3)ccc21 ZINC000097076149 415579708 /nfs/dbraw/zinc/57/97/08/415579708.db2.gz GYOKIJAQVGSZCW-LLVKDONJSA-N 0 0 302.334 0.320 50 0 DCAARN O=C1NC(=O)[C@H](Cc2nc(CCCc3ccccc3)no2)N1 ZINC000097081196 415579797 /nfs/dbraw/zinc/57/97/97/415579797.db2.gz GKWYCJQRXCRNQE-NSHDSACASA-N 0 0 300.318 0.995 50 0 DCAARN C[C@H](C(=O)NC1=NCCS1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000101273438 415593306 /nfs/dbraw/zinc/59/33/06/415593306.db2.gz FGKNYHBWMACBRP-BBBLOLIVSA-N 0 0 307.375 0.545 50 0 DCAARN CN1CCN(CC(=O)NCCC2CCCCC2)S1(=O)=O ZINC000333477070 415660908 /nfs/dbraw/zinc/66/09/08/415660908.db2.gz FDCZYOHIFHJMGX-UHFFFAOYSA-N 0 0 303.428 0.565 50 0 DCAARN CCOCCN1CCN(C(=O)CNC(=O)[C@H](C)CC)C[C@@H]1C ZINC000107352735 415666265 /nfs/dbraw/zinc/66/62/65/415666265.db2.gz JQICOMKFQXSCHO-KGLIPLIRSA-N 0 0 313.442 0.718 50 0 DCAARN C[C@H](CNC(=O)NCCCn1cncn1)N1C[C@@H](C)O[C@H](C)C1 ZINC000107573956 415666660 /nfs/dbraw/zinc/66/66/60/415666660.db2.gz AAAGFCYPKRKQSP-MGPQQGTHSA-N 0 0 324.429 0.465 50 0 DCAARN CCc1[nH]nc(NC(=O)c2ccc(S(=O)(=O)NC)nc2)c1C ZINC000354499106 415799592 /nfs/dbraw/zinc/79/95/92/415799592.db2.gz LPDWADCOVFYJIV-UHFFFAOYSA-N 0 0 323.378 0.836 50 0 DCAARN NS(=O)(=O)c1cccnc1N1CCC[C@H](Cn2ccnn2)C1 ZINC000128571727 415901923 /nfs/dbraw/zinc/90/19/23/415901923.db2.gz FDJJWTNVEXFFGE-NSHDSACASA-N 0 0 322.394 0.237 50 0 DCAARN Cc1nn(C)cc1S(=O)(=O)N[C@H]1CCC(=O)NC1(C)C ZINC000344793221 415988655 /nfs/dbraw/zinc/98/86/55/415988655.db2.gz KSPXTLUFLYJQJV-JTQLQIEISA-N 0 0 300.384 0.064 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cccn3)cc2)CN1 ZINC000299758471 416063909 /nfs/dbraw/zinc/06/39/09/416063909.db2.gz NMEHYSPHVPZJFO-OCCSQVGLSA-N 0 0 314.345 0.506 50 0 DCAARN O=C(Nc1cccc(-n2cnnn2)c1)N[C@H]1CCCNC1=O ZINC000299761854 416064458 /nfs/dbraw/zinc/06/44/58/416064458.db2.gz AXBBMUFLZXQWNF-NSHDSACASA-N 0 0 301.310 0.062 50 0 DCAARN C[NH+](C)CCN1C(=O)C[C@](CC(=O)[O-])(c2cccc(F)c2)C1=O ZINC000299772071 416065616 /nfs/dbraw/zinc/06/56/16/416065616.db2.gz YTFRAJLAOHYRQJ-INIZCTEOSA-N 0 0 322.336 0.859 50 0 DCAARN CCCc1cc(C(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)[nH]n1 ZINC000299786792 416068966 /nfs/dbraw/zinc/06/89/66/416068966.db2.gz POJKSACEKBPALP-KBPBESRZSA-N 0 0 316.365 0.940 50 0 DCAARN CCc1nccc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)n1 ZINC000299785952 416069048 /nfs/dbraw/zinc/06/90/48/416069048.db2.gz MWZXFUGBQFPIFR-KBPBESRZSA-N 0 0 300.366 0.976 50 0 DCAARN Cn1cc(NC(=O)N2CCCN(Cc3ccccn3)CC2)nn1 ZINC000299787411 416069165 /nfs/dbraw/zinc/06/91/65/416069165.db2.gz WUMQVLGWXUAFFX-UHFFFAOYSA-N 0 0 315.381 0.950 50 0 DCAARN COCCN1C[C@@H](CNC(=O)c2cc(C3CC3)n[nH]2)CC1=O ZINC000299795024 416070027 /nfs/dbraw/zinc/07/00/27/416070027.db2.gz LPIAFQRGQOSFNF-SNVBAGLBSA-N 0 0 306.366 0.512 50 0 DCAARN O=C(CCCn1cncn1)N1CCC(O)(c2ccccn2)CC1 ZINC000299788451 416070240 /nfs/dbraw/zinc/07/02/40/416070240.db2.gz SQQBRNCQPQOZHD-UHFFFAOYSA-N 0 0 315.377 0.964 50 0 DCAARN O=C(Cc1ccccc1Cl)N1CCN2C(=O)CNC(=O)[C@H]2C1 ZINC000299796266 416070566 /nfs/dbraw/zinc/07/05/66/416070566.db2.gz NODLFECLKVEGMP-GFCCVEGCSA-N 0 0 321.764 0.052 50 0 DCAARN Cn1nc(C(=O)NCCc2nc3c(s2)CCC3)ccc1=O ZINC000299797268 416070828 /nfs/dbraw/zinc/07/08/28/416070828.db2.gz MYEXCNMNNXTWEF-UHFFFAOYSA-N 0 0 304.375 0.698 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cnc2c(c1)CCC2 ZINC000299799197 416071205 /nfs/dbraw/zinc/07/12/05/416071205.db2.gz RITNPDDWTBTVQU-AWEZNQCLSA-N 0 0 323.418 0.611 50 0 DCAARN O=C(Cc1ccc(Cl)cc1)N1CCN2C(=O)CNC(=O)[C@H]2C1 ZINC000299802045 416071417 /nfs/dbraw/zinc/07/14/17/416071417.db2.gz RJYQEYPOKQPHMT-GFCCVEGCSA-N 0 0 321.764 0.052 50 0 DCAARN CCC[C@@H](NC(=O)CCNS(C)(=O)=O)c1nccn1C ZINC000299798187 416071579 /nfs/dbraw/zinc/07/15/79/416071579.db2.gz QKBCEFBTRAREPE-SNVBAGLBSA-N 0 0 302.400 0.317 50 0 DCAARN O=C(c1cc(Cl)nc(N2CCCC2)c1)N1C[C@@H](O)[C@@H](O)C1 ZINC000170591767 416026787 /nfs/dbraw/zinc/02/67/87/416026787.db2.gz DBUXSUQRZBBLCJ-PHIMTYICSA-N 0 0 311.769 0.513 50 0 DCAARN CN(C[C@H]1COc2ccccc2O1)c1cncc(C(N)=O)n1 ZINC000176746600 416133554 /nfs/dbraw/zinc/13/35/54/416133554.db2.gz HOMQFSCVBGDZNA-JTQLQIEISA-N 0 0 300.318 0.852 50 0 DCAARN CC[C@@H](C(=O)N(C)Cc1cnc(N(C)C)nc1)N1CCCC1=O ZINC000330771902 416237854 /nfs/dbraw/zinc/23/78/54/416237854.db2.gz CTLYOXZDNOFQRL-ZDUSSCGKSA-N 0 0 319.409 0.902 50 0 DCAARN COC(=O)c1cn(CCc2nc(C)no2)cc2c(=O)[nH]nc1-2 ZINC000263587406 416338534 /nfs/dbraw/zinc/33/85/34/416338534.db2.gz GOVAYECLWUZBHN-UHFFFAOYSA-N 0 0 303.278 0.397 50 0 DCAARN CCn1ncnc1[C@H](NC(=O)c1nc2ncccn2n1)C1CC1 ZINC000215319271 416327126 /nfs/dbraw/zinc/32/71/26/416327126.db2.gz XKOYUTBINOTFGE-SNVBAGLBSA-N 0 0 312.337 0.617 50 0 DCAARN Cn1cc(C(=O)N2CCC3(CC2)OCCC[C@@H]3O)ccc1=O ZINC000216163259 416327397 /nfs/dbraw/zinc/32/73/97/416327397.db2.gz HVJSLMDACVGWGK-ZDUSSCGKSA-N 0 0 306.362 0.531 50 0 DCAARN Cc1cc(C(=O)NCCc2noc([C@H]3CCCO3)n2)cc(=O)[nH]1 ZINC000216167285 416327541 /nfs/dbraw/zinc/32/75/41/416327541.db2.gz KZWMFPXINFJZBY-LLVKDONJSA-N 0 0 318.333 0.890 50 0 DCAARN CN(CC(=O)N1CCOCC1)Cc1ccc2nsnc2c1 ZINC000240825143 416330117 /nfs/dbraw/zinc/33/01/17/416330117.db2.gz QNIMZBZXMFDXJD-UHFFFAOYSA-N 0 0 306.391 0.982 50 0 DCAARN CCN(Cc1nc(C(N)=O)no1)C[C@@H](O)c1cccc(O)c1 ZINC000243914926 416330279 /nfs/dbraw/zinc/33/02/79/416330279.db2.gz BKTKOFQIOCFDFG-LLVKDONJSA-N 0 0 306.322 0.430 50 0 DCAARN O=c1[nH]ccn1CCN1CCNC(=O)[C@@H]1c1ccc(F)cc1 ZINC000244723586 416330633 /nfs/dbraw/zinc/33/06/33/416330633.db2.gz MECSLBJARQJSFK-ZDUSSCGKSA-N 0 0 304.325 0.489 50 0 DCAARN Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@](O)(CO)CC1 ZINC000244723884 416330703 /nfs/dbraw/zinc/33/07/03/416330703.db2.gz MJIRYXXGJLVDCX-KRWDZBQOSA-N 0 0 306.406 0.821 50 0 DCAARN Cc1nonc1N1CCN(C(=O)[C@H](O)c2ccccc2)CC1 ZINC000244795797 416331117 /nfs/dbraw/zinc/33/11/17/416331117.db2.gz RNWLEHOQRIGWJN-CYBMUJFWSA-N 0 0 302.334 0.760 50 0 DCAARN COc1cncc([C@@H](NC(=O)c2nnc[nH]2)[C@H]2C[C@H](O)C2)c1 ZINC000244795238 416331181 /nfs/dbraw/zinc/33/11/81/416331181.db2.gz RCBMWRXDNJJYCC-PEXQALLHSA-N 0 0 303.322 0.450 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C)C(C)(C)C1 ZINC000585114813 416517894 /nfs/dbraw/zinc/51/78/94/416517894.db2.gz AUFGIKSKQZJPNG-UHFFFAOYSA-N 0 0 300.428 0.752 50 0 DCAARN C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1S(=O)(=O)c1cccc2c1OCC2 ZINC000585115148 416518206 /nfs/dbraw/zinc/51/82/06/416518206.db2.gz OJFMAHHSXWBODO-GARJFASQSA-N 0 0 324.402 0.908 50 0 DCAARN CCCNC(=O)Cn1cccc(I)c1=O ZINC000585122937 416518968 /nfs/dbraw/zinc/51/89/68/416518968.db2.gz JYAAZWUKZGLZNB-UHFFFAOYSA-N 0 0 320.130 0.979 50 0 DCAARN CCOC[C@H]1CN(C(=O)NCCc2ncc(C)cn2)CCO1 ZINC000527834038 417278992 /nfs/dbraw/zinc/27/89/92/417278992.db2.gz PZRXLLOKSBIYKD-CYBMUJFWSA-N 0 0 308.382 0.774 50 0 DCAARN COCCNC(=O)C1(F)CCN(C(=O)c2ccnn2C)CC1 ZINC000575555547 417538797 /nfs/dbraw/zinc/53/87/97/417538797.db2.gz IMIQMZGBNVEQKA-UHFFFAOYSA-N 0 0 312.345 0.127 50 0 DCAARN Cc1nnsc1C(=O)NCc1nc(N(C)C)nc(N(C)C)n1 ZINC000575604122 417539465 /nfs/dbraw/zinc/53/94/65/417539465.db2.gz QZTPXSLBANHLKJ-UHFFFAOYSA-N 0 0 322.398 0.094 50 0 DCAARN O=C(CN1C(=O)CCC1=O)NC[C@H](c1ccco1)n1cccn1 ZINC000575612505 417541035 /nfs/dbraw/zinc/54/10/35/417541035.db2.gz ASNXMSPAXHFCSL-LLVKDONJSA-N 0 0 316.317 0.331 50 0 DCAARN O=C(COCc1ccccc1)N1CC(CN2C(=O)COC2=O)C1 ZINC000575614925 417541225 /nfs/dbraw/zinc/54/12/25/417541225.db2.gz ARXNXEDNKWVVDO-UHFFFAOYSA-N 0 0 318.329 0.640 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](OCC2CC2)C1 ZINC000575609629 417541656 /nfs/dbraw/zinc/54/16/56/417541656.db2.gz YEVONSGWLULAQE-NWDGAFQWSA-N 0 0 302.396 0.384 50 0 DCAARN Cc1c[nH]cc1C(=O)N1CCN(CCn2ccccc2=O)CC1 ZINC000649296888 418226482 /nfs/dbraw/zinc/22/64/82/418226482.db2.gz QMTUISMVYSKWQK-UHFFFAOYSA-N 0 0 314.389 0.943 50 0 DCAARN COCCN1C(=O)N[C@H]2CN(Cc3nnc(C)s3)CC[C@H]21 ZINC000660794089 418289285 /nfs/dbraw/zinc/28/92/85/418289285.db2.gz DJQNWKGHIGMUOO-WDEREUQCSA-N 0 0 311.411 0.461 50 0 DCAARN CCCCn1c(=O)c2c(nc3n2CC(C)=NN3CC)n(C)c1=O ZINC000010330667 273606623 /nfs/dbraw/zinc/60/66/23/273606623.db2.gz JDKOWMTVLIZJJP-UHFFFAOYSA-N 0 0 318.381 0.913 50 0 DCAARN Cn1ncc2c1nc(N1CCN(C)CC1)nc2N1CCCC1 ZINC000020738571 274902501 /nfs/dbraw/zinc/90/25/01/274902501.db2.gz DFBFDRZHAVAEKE-UHFFFAOYSA-N 0 0 301.398 0.715 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)CSC(F)(F)F)CC1 ZINC000031234887 276999513 /nfs/dbraw/zinc/99/95/13/276999513.db2.gz GCYQMCXMPZQDOD-UHFFFAOYSA-N 0 0 313.345 0.566 50 0 DCAARN C[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(c1ncnc3nc[nH]c31)CC2 ZINC000072164070 277022915 /nfs/dbraw/zinc/02/29/15/277022915.db2.gz AFAKDQHFWBXJAC-SNVBAGLBSA-N 0 0 316.365 0.728 50 0 DCAARN COC(=O)Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O ZINC000004139894 277332315 /nfs/dbraw/zinc/33/23/15/277332315.db2.gz MHGUVSDXYJIINZ-UHFFFAOYSA-N 0 0 303.253 0.289 50 0 DCAARN CO[C@H]1CCCCC[C@@H]1Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000097011962 277335151 /nfs/dbraw/zinc/33/51/51/277335151.db2.gz GZCSBRRWFCTSEC-UWVGGRQHSA-N 0 0 321.381 0.720 50 0 DCAARN Cn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000032611035 279397853 /nfs/dbraw/zinc/39/78/53/279397853.db2.gz YKOHKCHBJDXNQU-LURJTMIESA-N 0 0 311.285 0.356 50 0 DCAARN O=C(CCn1ccc(=O)[nH]c1=O)Nc1nc2c(s1)CCCC2 ZINC000011905146 279760292 /nfs/dbraw/zinc/76/02/92/279760292.db2.gz MTGYXFJFJGBLJF-UHFFFAOYSA-N 0 0 320.374 0.901 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccn(-c2ccccc2)n1 ZINC000032977424 279979342 /nfs/dbraw/zinc/97/93/42/279979342.db2.gz XLZZMOXCIAUJCJ-NSHDSACASA-N 0 0 305.359 0.789 50 0 DCAARN Cc1c(C)n2c(nc3c2c(=O)n(CC(C)C)c(=O)n3C)n1C ZINC000004314478 280224153 /nfs/dbraw/zinc/22/41/53/280224153.db2.gz PWTJTHCQNSYNLD-UHFFFAOYSA-N 0 0 303.366 0.959 50 0 DCAARN Cc1c[nH]c(CN2CCc3nc(N(C)C)[nH]c(=O)c3CC2)n1 ZINC000065375777 280279128 /nfs/dbraw/zinc/27/91/28/280279128.db2.gz WRNBOIUXTUTNOU-UHFFFAOYSA-N 0 0 302.382 0.468 50 0 DCAARN CC[C@H]1CN(C(=O)NCCCN(C)S(C)(=O)=O)CCO1 ZINC000065563941 288262530 /nfs/dbraw/zinc/26/25/30/288262530.db2.gz NKHVGCJVBGOTKF-NSHDSACASA-N 0 0 307.416 0.088 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)CCc2c(C)nn(C)c2C)CC1 ZINC000071881080 280991496 /nfs/dbraw/zinc/99/14/96/280991496.db2.gz FKJJOTGOBIERCU-HNNXBMFYSA-N 0 0 322.453 0.885 50 0 DCAARN CCc1c(C)sc2[nH]c(-c3cn(C)c(=O)[nH]c3=O)nc(=O)c12 ZINC000103566100 281368509 /nfs/dbraw/zinc/36/85/09/281368509.db2.gz QTLUNRLGDXVTQD-UHFFFAOYSA-N 0 0 318.358 0.909 50 0 DCAARN COc1ccc(CCNC(=O)c2nc3n(n2)CCCN3)cc1 ZINC000564774701 288767248 /nfs/dbraw/zinc/76/72/48/288767248.db2.gz LXXMVFNGQBGTPR-UHFFFAOYSA-N 0 0 301.350 0.332 50 0 DCAARN CN1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000072238001 290022807 /nfs/dbraw/zinc/02/28/07/290022807.db2.gz FBZJHPOYFFZLAQ-HZPDHXFCSA-N 0 0 317.389 0.359 50 0 DCAARN CNC(=O)NC(=O)[C@H](Sc1nnnn1C)c1ccccc1 ZINC000006643607 290500336 /nfs/dbraw/zinc/50/03/36/290500336.db2.gz QVXJCCKCBILPLN-SECBINFHSA-N 0 0 306.351 0.499 50 0 DCAARN Cc1nc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c(C)s1 ZINC000178802877 293179967 /nfs/dbraw/zinc/17/99/67/293179967.db2.gz QIUCUYURKFRVBK-OTYXRUKQSA-N 0 0 322.390 0.868 50 0 DCAARN Cn1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cc1=O ZINC000040535617 294336935 /nfs/dbraw/zinc/33/69/35/294336935.db2.gz AXCKPXLSMCPAQC-UHFFFAOYSA-N 0 0 313.361 0.574 50 0 DCAARN Cn1ccc(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)n1 ZINC000013771497 294359210 /nfs/dbraw/zinc/35/92/10/294359210.db2.gz RKNYHRSKIKYTPC-UHFFFAOYSA-N 0 0 311.392 0.876 50 0 DCAARN O=C(NC(=S)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000012223398 295590266 /nfs/dbraw/zinc/59/02/66/295590266.db2.gz LNWFGIPDTYFCIN-JTQLQIEISA-N 0 0 316.379 0.617 50 0 DCAARN O=C1CCCN1CCN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000089818771 304626730 /nfs/dbraw/zinc/62/67/30/304626730.db2.gz CHIDPUWZXUMZMQ-STQMWFEESA-N 0 0 300.424 0.650 50 0 DCAARN Cn1ncc(I)c1C(=O)N1CCOCC1 ZINC000000192504 303050406 /nfs/dbraw/zinc/05/04/06/303050406.db2.gz RRCWFLLXMQCGOG-UHFFFAOYSA-N 0 0 321.118 0.497 50 0 DCAARN NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000040461028 303327137 /nfs/dbraw/zinc/32/71/37/303327137.db2.gz NWIMPZFKMMCQBT-GFCCVEGCSA-N 0 0 310.375 0.650 50 0 DCAARN O=C(NCc1n[nH]c(=O)[n-]1)NCc1nc(C2CCCCC2)no1 ZINC000534578174 334288436 /nfs/dbraw/zinc/28/84/36/334288436.db2.gz BZEHEHBSKAEYIS-UHFFFAOYSA-N 0 0 321.341 0.940 50 0 DCAARN O=C(NCCn1ccnn1)N1CCN(Cc2cccnc2)CC1 ZINC000534581611 334289430 /nfs/dbraw/zinc/28/94/30/334289430.db2.gz DAFFKJYYIUXPQX-UHFFFAOYSA-N 0 0 315.381 0.201 50 0 DCAARN CCc1nccn1CCCNC(=O)[C@@H]1NCCc2nc[nH]c21 ZINC000534587343 334292529 /nfs/dbraw/zinc/29/25/29/334292529.db2.gz RMDDCBIHGGYRKV-CQSZACIVSA-N 0 0 302.382 0.562 50 0 DCAARN CCO[C@H]1COC[C@@H]1NC(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000534644832 334306814 /nfs/dbraw/zinc/30/68/14/334306814.db2.gz RPMZRBPOCZYHTB-STQMWFEESA-N 0 0 313.398 0.300 50 0 DCAARN CC(=O)N1CCO[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000534632925 334308122 /nfs/dbraw/zinc/30/81/22/334308122.db2.gz LJSATQQGFFIKNW-AWEZNQCLSA-N 0 0 312.391 0.353 50 0 DCAARN O=S(=O)(NC[C@@]1(O)CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000534637858 334310005 /nfs/dbraw/zinc/31/00/05/334310005.db2.gz QUHKVNLRHVEEAR-GFCCVEGCSA-N 0 0 306.334 0.358 50 0 DCAARN CCc1nc(C)c(CC(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)c(=O)[nH]1 ZINC000534649440 334317122 /nfs/dbraw/zinc/31/71/22/334317122.db2.gz WPIUHZBYJBJWPB-ZYHUDNBSSA-N 0 0 318.377 0.532 50 0 DCAARN CC(C)OCC(=O)N[C@H]1CN(C)S(=O)(=O)c2ccsc21 ZINC000534669323 334319689 /nfs/dbraw/zinc/31/96/89/334319689.db2.gz HDORUVHADYRWEJ-VIFPVBQESA-N 0 0 318.420 0.965 50 0 DCAARN CN1CC[C@H](NC(=O)N2CCC(Cn3ccnc3)CC2)C1=O ZINC000534675240 334320561 /nfs/dbraw/zinc/32/05/61/334320561.db2.gz UCKJPRJHFYEWHJ-ZDUSSCGKSA-N 0 0 305.382 0.535 50 0 DCAARN COc1cc(C)c(S(=O)(=O)N[C@H]2CCNC2=O)c(C)c1C ZINC000534661891 334321975 /nfs/dbraw/zinc/32/19/75/334321975.db2.gz DNVMDCNZWMZYCV-NSHDSACASA-N 0 0 312.391 0.787 50 0 DCAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@H]1CCCO1 ZINC000245228375 534397644 /nfs/dbraw/zinc/39/76/44/534397644.db2.gz TXJCYEIIJFAOEZ-UPJWGTAASA-N 0 0 308.378 0.847 50 0 DCAARN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCC(F)(F)C1 ZINC000390834487 534851556 /nfs/dbraw/zinc/85/15/56/534851556.db2.gz ZQRDRBLBWSMZTJ-JTQLQIEISA-N 0 0 310.300 0.985 50 0 DCAARN CCN1C[C@@H](C)N(S(=O)(=O)CCCC(=O)OC)C[C@H]1C ZINC000390835201 527932916 /nfs/dbraw/zinc/93/29/16/527932916.db2.gz GLTKKUDFURPSKN-VXGBXAGGSA-N 0 0 306.428 0.684 50 0 DCAARN CCN1OC[C@H](N2CCC[C@@H](c3nnc4n3CCC4)C2)C1=O ZINC000408523280 527993583 /nfs/dbraw/zinc/99/35/83/527993583.db2.gz QQLPPLCUDYVWNL-NEPJUHHUSA-N 0 0 305.382 0.566 50 0 DCAARN CC(C)C[C@H]1C(=O)NCCN1C(=O)COc1ccc(CO)cc1 ZINC000408523861 528578066 /nfs/dbraw/zinc/57/80/66/528578066.db2.gz VSEIIZBOTUIYQU-HNNXBMFYSA-N 0 0 320.389 0.931 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)Cc1cc[nH]n1 ZINC000330723331 528807267 /nfs/dbraw/zinc/80/72/67/528807267.db2.gz CWMCUIQQCDLLJF-LBPRGKRZSA-N 0 0 314.411 0.572 50 0 DCAARN CC(C)n1ccc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)n1 ZINC000426652012 535087604 /nfs/dbraw/zinc/08/76/04/535087604.db2.gz QGBLEVILGVZCIC-UHFFFAOYSA-N 0 0 312.337 0.969 50 0 DCAARN CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN([C@@H]2C[C@H](C)OC2=O)C1 ZINC000084281113 545701207 /nfs/dbraw/zinc/70/12/07/545701207.db2.gz SMHVSYLVBRZBOH-ZWKOPEQDSA-N 0 0 322.365 0.505 50 0 DCAARN Cn1ncnc1CCNC(=O)[C@@H]1CCCN(c2ccccn2)C1 ZINC000087448819 545708705 /nfs/dbraw/zinc/70/87/05/545708705.db2.gz NHDGVCZTRSUOIT-CYBMUJFWSA-N 0 0 314.393 0.785 50 0 DCAARN CC1(C)CNC(=O)[C@H]1NS(=O)(=O)c1cccc2c1OCCC2 ZINC000585094211 546303333 /nfs/dbraw/zinc/30/33/33/546303333.db2.gz QUUJLFLHEVKQRJ-CYBMUJFWSA-N 0 0 324.402 0.815 50 0 DCAARN O=C(NC[C@H]1CCCOC1)N1CCN(CCn2cncn2)CC1 ZINC000670440697 547090992 /nfs/dbraw/zinc/09/09/92/547090992.db2.gz MPOIOEHKGYVJBJ-CQSZACIVSA-N 0 0 322.413 0.032 50 0 DCAARN CCCc1ncncc1C(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000670441989 547092155 /nfs/dbraw/zinc/09/21/55/547092155.db2.gz KYJIEZQMACTVDF-UHFFFAOYSA-N 0 0 315.381 0.505 50 0 DCAARN O=C([O-])c1n[nH]cc1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000670452048 547096736 /nfs/dbraw/zinc/09/67/36/547096736.db2.gz GVAKIMFRBSHIMT-GFCCVEGCSA-N 0 0 308.382 0.652 50 0 DCAARN CCn1cc(S(=O)(=O)NCCN2CCCC[C@H]2CO)cn1 ZINC000670459490 547097277 /nfs/dbraw/zinc/09/72/77/547097277.db2.gz LEMXEMGASGQFNN-LBPRGKRZSA-N 0 0 316.427 0.028 50 0 DCAARN C[C@@H](NC(=O)Cn1nc2ccccc2n1)c1nnc(N)s1 ZINC000670470024 547100539 /nfs/dbraw/zinc/10/05/39/547100539.db2.gz XYSHGCNEERSPSJ-SSDOTTSWSA-N 0 0 303.351 0.742 50 0 DCAARN O=C(CCCn1cnnn1)NCc1ccc2nsnc2c1 ZINC000670470916 547100775 /nfs/dbraw/zinc/10/07/75/547100775.db2.gz ZTTCVCIBQYUTRU-UHFFFAOYSA-N 0 0 303.351 0.774 50 0 DCAARN CCCn1nccc1S(=O)(=O)N1CCO[C@@H](CCOC)C1 ZINC000670471688 547102010 /nfs/dbraw/zinc/10/20/10/547102010.db2.gz XGOCAQUESZPXNV-LBPRGKRZSA-N 0 0 317.411 0.719 50 0 DCAARN Cc1nc(CC(=O)N2CC(n3cc(C(N)=O)nn3)C2)c(C)s1 ZINC000679411390 548054756 /nfs/dbraw/zinc/05/47/56/548054756.db2.gz NLDOKQAMKUMUKQ-UHFFFAOYSA-N 0 0 320.378 0.076 50 0 DCAARN Cc1nccn1CCC[N@@H+]1C[C@H](C(=O)N(C)C)CC[C@@H]1C(=O)[O-] ZINC000685940323 548746012 /nfs/dbraw/zinc/74/60/12/548746012.db2.gz DPZLZASZQPEREO-ZIAGYGMSSA-N 0 0 322.409 0.835 50 0 DCAARN c1n[nH]cc1O[C@@H]1COC[C@@H]1NCc1cn(C2CCC2)nn1 ZINC000685940633 548746749 /nfs/dbraw/zinc/74/67/49/548746749.db2.gz FAEZGRBKKPFSKU-UONOGXRCSA-N 0 0 304.354 0.662 50 0 DCAARN CC1=NS(=O)(=O)N(C)C=C1C(=O)NCc1cccc(F)c1 ZINC000888105124 661219770 /nfs/dbraw/zinc/21/97/70/661219770.db2.gz STLSUOFLNHFROP-UHFFFAOYSA-N 0 0 311.338 0.977 50 0 DCAARN C[C@@H](CNC(=O)c1ccccc1-n1ccnn1)N1CCOCC1 ZINC000182109975 659102072 /nfs/dbraw/zinc/10/20/72/659102072.db2.gz OASDMTSPRWHWTQ-ZDUSSCGKSA-N 0 0 315.377 0.718 50 0 DCAARN CC(C)Cn1ccnc1CNC(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000585083019 661460216 /nfs/dbraw/zinc/46/02/16/661460216.db2.gz FTOCGBHTGHXWAQ-QWHCGFSZSA-N 0 0 322.409 0.791 50 0 DCAARN C[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)COc2ccccc2)C(=O)O1 ZINC000874435593 665174832 /nfs/dbraw/zinc/17/48/32/665174832.db2.gz YTSCUYHPSAFCRZ-NQBHXWOUSA-N 0 0 308.334 0.430 50 0 DCAARN C[C@H](C1CC1)N(C)S(=O)(=O)NCCCOc1ncccn1 ZINC000874432914 665175286 /nfs/dbraw/zinc/17/52/86/665175286.db2.gz BBBQYHWIZQRSJA-LLVKDONJSA-N 0 0 314.411 0.810 50 0 DCAARN O=C(N[C@@H]1CN(c2ccncn2)C[C@H]1CO)c1ccc(F)cn1 ZINC000257188949 665308308 /nfs/dbraw/zinc/30/83/08/665308308.db2.gz NGKYJMALMAOGDD-GXFFZTMASA-N 0 0 317.324 0.238 50 0 DCAARN Cc1cn(-c2ccccc2)nc1C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000184287475 666194249 /nfs/dbraw/zinc/19/42/49/666194249.db2.gz SNFQRNTWHUNUIQ-ZDUSSCGKSA-N 0 0 314.345 0.507 50 0 DCAARN Cc1cc(C)n(CCNC(=O)c2cn(C[C@@H]3CCCO3)nn2)n1 ZINC000012457644 666652608 /nfs/dbraw/zinc/65/26/08/666652608.db2.gz HPNSHYGEKADHLI-ZDUSSCGKSA-N 0 0 318.381 0.700 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCN(C)OC)C1 ZINC000863948064 667197065 /nfs/dbraw/zinc/19/70/65/667197065.db2.gz YUMASFFQGFAKII-LBPRGKRZSA-N 0 0 321.443 0.048 50 0 DCAARN CCOC(=O)N1CCN(C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000863968803 667203970 /nfs/dbraw/zinc/20/39/70/667203970.db2.gz OJLBDQTVZUHHFW-ZFWWWQNUSA-N 0 0 300.399 0.673 50 0 DCAARN CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCO2)C12CCOCC2 ZINC000864095693 667214740 /nfs/dbraw/zinc/21/47/40/667214740.db2.gz WPJXYJCLSYZGHR-JHJVBQTASA-N 0 0 314.382 0.633 50 0 DCAARN NC(=O)c1ccc(CNC(=O)c2ccc(N3CCCC3)nn2)o1 ZINC000081014443 670405052 /nfs/dbraw/zinc/40/50/52/670405052.db2.gz IQDYZJBEJOGPGK-UHFFFAOYSA-N 0 0 315.333 0.699 50 0 DCAARN COCCn1cnnc1CN(C)C(=O)c1ccnc(OC)c1 ZINC000952990189 685602563 /nfs/dbraw/zinc/60/25/63/685602563.db2.gz LJILRAUKHPUEGY-UHFFFAOYSA-N 0 0 305.338 0.600 50 0 DCAARN O=C(CCN1CCCCCC1=O)N1CCC[C@@](O)(CO)CC1 ZINC000952966800 685599289 /nfs/dbraw/zinc/59/92/89/685599289.db2.gz XGOGJZMEDLTCGC-INIZCTEOSA-N 0 0 312.410 0.515 50 0 DCAARN COCCn1cnnc1[C@@H](C)NCc1cnc(N(C)C)nc1 ZINC000952973614 685600219 /nfs/dbraw/zinc/60/02/19/685600219.db2.gz DDEGDUFRGOTQAO-LLVKDONJSA-N 0 0 305.386 0.631 50 0 DCAARN Cn1cncc1C(=O)NC[C@@H]1CCCN(c2nccc(N)n2)C1 ZINC000952976585 685600711 /nfs/dbraw/zinc/60/07/11/685600711.db2.gz SPZARRWAIHEDDN-NSHDSACASA-N 0 0 315.381 0.439 50 0 DCAARN C[C@@](O)(CCCO)CNC(=O)c1ccccc1N1CCOCC1 ZINC000952981217 685600925 /nfs/dbraw/zinc/60/09/25/685600925.db2.gz USBPWMFIVBDEMJ-QGZVFWFLSA-N 0 0 322.405 0.777 50 0 DCAARN Cc1cccc(S(=O)(=O)N2CC(CN3C(=O)CCC3=O)C2)c1 ZINC000952987184 685602869 /nfs/dbraw/zinc/60/28/69/685602869.db2.gz SNQAWUKHZNHXRW-UHFFFAOYSA-N 0 0 322.386 0.765 50 0 DCAARN Cc1ccc(OC(=O)N2CCN3C(=O)[C@H](C)NC(=O)[C@H]3C2)cc1 ZINC000014535430 685048152 /nfs/dbraw/zinc/04/81/52/685048152.db2.gz DHDJCUXAKURNGY-WCQYABFASA-N 0 0 317.345 0.525 50 0 DCAARN Cc1ccc(OC(=O)N2CCN3C(=O)[C@@H](C)NC(=O)[C@H]3C2)cc1 ZINC000014743564 685048902 /nfs/dbraw/zinc/04/89/02/685048902.db2.gz DHDJCUXAKURNGY-DGCLKSJQSA-N 0 0 317.345 0.525 50 0 DCAARN Cc1nc([C@H]2CCCN(C)C2)cc(N2CCS(=O)(=O)CC2)n1 ZINC000063885086 685063045 /nfs/dbraw/zinc/06/30/45/685063045.db2.gz ZQQNMXAVXDALEQ-ZDUSSCGKSA-N 0 0 324.450 0.829 50 0 DCAARN Cc1nccc(C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)n1 ZINC000084210330 685086848 /nfs/dbraw/zinc/08/68/48/685086848.db2.gz ZIASUZCEKNOQJR-ZDUSSCGKSA-N 0 0 306.366 0.398 50 0 DCAARN Cc1ccc(/C=C/C(=O)NC[C@H](Cc2cnn(C)c2)C(N)=O)o1 ZINC000089652365 685100952 /nfs/dbraw/zinc/10/09/52/685100952.db2.gz TVUVRYCIRJZSFZ-GFUIURDCSA-N 0 0 316.361 0.795 50 0 DCAARN Cc1cc(C)n(CCN2C[C@@]3(CCOC3)CCC2=O)c(=O)n1 ZINC000091943123 685106419 /nfs/dbraw/zinc/10/64/19/685106419.db2.gz MLYPYLMIRQXFDN-INIZCTEOSA-N 0 0 305.378 0.889 50 0 DCAARN Cc1nnc2n1C[C@@H](CNC(=O)c1ccc3c(c1)OCO3)C2 ZINC001772704278 1157844238 /nfs/dbraw/zinc/84/42/38/1157844238.db2.gz QBCVYPAMAJNZME-SNVBAGLBSA-N 0 0 300.318 0.918 50 0 DCAARN COc1nc2c(cc1C(=O)N1CCC([C@@H](O)CO)CC1)CCC2 ZINC001772711969 1157847684 /nfs/dbraw/zinc/84/76/84/1157847684.db2.gz ZCBMMJARWWGVNT-HNNXBMFYSA-N 0 0 320.389 0.784 50 0 DCAARN O=C(c1ccn(C(F)F)n1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704299230 1179964925 /nfs/dbraw/zinc/96/49/25/1179964925.db2.gz GBUBJUFNPBHXFE-BXKDBHETSA-N 0 0 323.303 0.744 50 0 DCAARN Cc1cc(C[C@@H]2CN(c3ccc(C(N)=O)cn3)C[C@@H]2O)n[nH]1 ZINC001704300814 1179966288 /nfs/dbraw/zinc/96/62/88/1179966288.db2.gz ZZWSKWJISHEZQS-YPMHNXCESA-N 0 0 301.350 0.252 50 0 DCAARN Cc1nc(N)ncc1C(=O)N[C@H]1COC[C@H]1Cc1ccncc1 ZINC001704305421 1179968063 /nfs/dbraw/zinc/96/80/63/1179968063.db2.gz QEEOVNKGXOTKER-OCCSQVGLSA-N 0 0 313.361 0.750 50 0 DCAARN CCO[C@H]1COC[C@@H]1Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001704312860 1179969009 /nfs/dbraw/zinc/96/90/09/1179969009.db2.gz AFBFPRZFJRVRPW-KBPBESRZSA-N 0 0 321.377 0.770 50 0 DCAARN O=C([O-])C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1cncc(F)c1)C2 ZINC001704337680 1179978032 /nfs/dbraw/zinc/97/80/32/1179978032.db2.gz YHEMDYMBYKSCLN-GWCFXTLKSA-N 0 0 323.324 0.078 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)CCn3cnnc3)C[C@H]2O)on1 ZINC001704343928 1179980462 /nfs/dbraw/zinc/98/04/62/1179980462.db2.gz LMDOWBQOIKOAJW-DGCLKSJQSA-N 0 0 305.338 0.027 50 0 DCAARN COC(=O)c1cc(CO)n(C[C@H](O)c2ccc(OC)cc2)n1 ZINC000643919613 748644456 /nfs/dbraw/zinc/64/44/56/748644456.db2.gz KHJACBRMMJSRMY-AWEZNQCLSA-N 0 0 306.318 0.904 50 0 DCAARN COCc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NC(C)=O)o1 ZINC000824476761 758775028 /nfs/dbraw/zinc/77/50/28/758775028.db2.gz GSPDXJJYTGIHHH-YXCITZCRSA-N 0 0 308.334 0.448 50 0 DCAARN O=C(CCn1cncn1)N[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000828013102 758909716 /nfs/dbraw/zinc/90/97/16/758909716.db2.gz PPUDCEKEGCDAIT-LBPRGKRZSA-N 0 0 317.349 0.682 50 0 DCAARN CS(=O)(=O)CCC(=O)N(CCCO)Cc1ccc(F)cc1 ZINC000828753676 759098211 /nfs/dbraw/zinc/09/82/11/759098211.db2.gz XTRYLSLRFCTHSU-UHFFFAOYSA-N 0 0 317.382 0.971 50 0 DCAARN Cc1cnc(C(=O)N2CC[C@@H](CC(=O)N3CCOCC3)C2)cn1 ZINC000581783089 760249466 /nfs/dbraw/zinc/24/94/66/760249466.db2.gz KGZSLKTXPZLNON-ZDUSSCGKSA-N 0 0 318.377 0.496 50 0 DCAARN Cn1nccc1C(=O)N1CC(n2cc(COCC3CC3)nn2)C1 ZINC000581812164 760254066 /nfs/dbraw/zinc/25/40/66/760254066.db2.gz WMORWIDFDUQBPW-UHFFFAOYSA-N 0 0 316.365 0.635 50 0 DCAARN CNC(=O)[C@H](O)CNc1nnc(-c2cccc(F)c2)cc1C ZINC000585083226 766268602 /nfs/dbraw/zinc/26/86/02/766268602.db2.gz CPPNWWSDXYVEJR-CYBMUJFWSA-N 0 0 304.325 1.110 50 0 DCAARN O=C(N1CCCC1)N1C[C@@H](CN2CCOCC2)C[C@H](CO)C1 ZINC000219578287 766270778 /nfs/dbraw/zinc/27/07/78/766270778.db2.gz CSARSXJXNUNNSU-CABCVRRESA-N 0 0 311.426 0.465 50 0 DCAARN CCC[C@@H](C(=O)OCC)S(=O)(=O)N(C)c1ccn(C)n1 ZINC000585086335 766272619 /nfs/dbraw/zinc/27/26/19/766272619.db2.gz BTXCYDKHGULAEU-JTQLQIEISA-N 0 0 303.384 0.918 50 0 DCAARN CO[C@@H]1COCC[C@H]1N1CCN(C(=O)c2c[nH]cc2C)CC1 ZINC000585087952 766275348 /nfs/dbraw/zinc/27/53/48/766275348.db2.gz DCKZIBIBEKKBGO-HUUCEWRRSA-N 0 0 307.394 0.885 50 0 DCAARN CCCCCOCC(=O)Nc1ccc(S(N)(=O)=O)nc1 ZINC000585126984 766288850 /nfs/dbraw/zinc/28/88/50/766288850.db2.gz MRGKYSYXNANVES-UHFFFAOYSA-N 0 0 301.368 0.874 50 0 DCAARN C[C@H]1CCCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 ZINC000585090327 766278974 /nfs/dbraw/zinc/27/89/74/766278974.db2.gz GMERVXYHTQYFFU-AAEUAGOBSA-N 0 0 323.368 0.960 50 0 DCAARN COC(=O)C[C@@H](NC(C)=O)C(=O)NC1(C(F)(F)F)CCC1 ZINC000585105593 766280479 /nfs/dbraw/zinc/28/04/79/766280479.db2.gz OXMGELSYIGFKCC-MRVPVSSYSA-N 0 0 310.272 0.655 50 0 DCAARN Cc1c(C)c(N(C)C[C@H](O)CN2CCOCC2)nnc1Cl ZINC000585118244 766285787 /nfs/dbraw/zinc/28/57/87/766285787.db2.gz IABYSYIZIVVFTC-LBPRGKRZSA-N 0 0 314.817 0.876 50 0 DCAARN CNC(=O)CSC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000585118476 766285896 /nfs/dbraw/zinc/28/58/96/766285896.db2.gz QDLXDBOUCFXSOE-CYBMUJFWSA-N 0 0 304.412 0.838 50 0 DCAARN C[C@H](O)[C@@](C)(O)C(=O)NCc1nccn1CCc1ccccc1 ZINC000585121239 766286793 /nfs/dbraw/zinc/28/67/93/766286793.db2.gz JGGPPESOONTGNW-SUMWQHHRSA-N 0 0 317.389 0.874 50 0 DCAARN Cc1nc(NC(=O)NCCS(C)(=O)=O)nn1-c1ccccc1 ZINC000585119794 766287463 /nfs/dbraw/zinc/28/74/63/766287463.db2.gz UYGFGTVCWQHEFW-UHFFFAOYSA-N 0 0 323.378 0.742 50 0 DCAARN CCS(=O)(=O)Nc1n[nH]cc1I ZINC000585129844 766290878 /nfs/dbraw/zinc/29/08/78/766290878.db2.gz YOHLTIDBXSNQQU-UHFFFAOYSA-N 0 0 301.109 0.776 50 0 DCAARN Cc1cnc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)nc1N ZINC000043027851 767385196 /nfs/dbraw/zinc/38/51/96/767385196.db2.gz MTCRYSPRSNPALJ-GFCCVEGCSA-N 0 0 305.382 0.442 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CC(N3C[C@@H](O)[C@H](F)C3)C2)cc1 ZINC000952872339 768934861 /nfs/dbraw/zinc/93/48/61/768934861.db2.gz PPNVNPXGUCJWED-ZIAGYGMSSA-N 0 0 314.382 0.383 50 0 DCAARN CC(C)CN1C[C@H](C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)CC1=O ZINC000952877853 768942180 /nfs/dbraw/zinc/94/21/80/768942180.db2.gz WIDIEYRQVGDFCN-SYQHCUMBSA-N 0 0 312.410 0.272 50 0 DCAARN C[C@H](CNC(=O)Cn1nnc(N)n1)COCc1ccccc1 ZINC000952884008 768951750 /nfs/dbraw/zinc/95/17/50/768951750.db2.gz QZYBCWXNZKIYBZ-LLVKDONJSA-N 0 0 304.354 0.224 50 0 DCAARN O=C(CCc1cn[nH]c1)N1CCCN(c2ncccn2)CC1 ZINC000952866803 768956264 /nfs/dbraw/zinc/95/62/64/768956264.db2.gz DUSJILNUKGCKLC-UHFFFAOYSA-N 0 0 300.366 0.871 50 0 DCAARN Cc1nnnn1CCC(=O)Nc1ccc(Oc2nn[nH]n2)cc1 ZINC000952866998 768957210 /nfs/dbraw/zinc/95/72/10/768957210.db2.gz IIOHWPAMMVQWKQ-UHFFFAOYSA-N 0 0 315.297 0.316 50 0 DCAARN CCn1cc(NC(=O)Cn2cc(-c3ccnc(N)n3)cn2)nn1 ZINC000048482648 769534765 /nfs/dbraw/zinc/53/47/65/769534765.db2.gz AZQZAZGELRMZRM-UHFFFAOYSA-N 0 0 313.325 0.172 50 0 DCAARN COc1ccnc(-c2cnn(CC(=O)Nc3cnn(C)n3)c2)n1 ZINC000048187505 772639635 /nfs/dbraw/zinc/63/96/35/772639635.db2.gz FOIXAWSKIAEHNB-UHFFFAOYSA-N 0 0 314.309 0.116 50 0 DCAARN CN(C)S(=O)(=O)C[C@@H]1CN(c2ccc(Cl)cn2)C[C@@H]1O ZINC001529146125 944972628 /nfs/dbraw/zinc/97/26/28/944972628.db2.gz IXAJGHVVSHNQNP-ONGXEEELSA-N 0 0 319.814 0.424 50 0 DCAARN Cc1noc(C)c1CCC(=O)N1CCCN(C(=O)CCO)CC1 ZINC001529120992 1014499584 /nfs/dbraw/zinc/49/95/84/1014499584.db2.gz WZPFIYFMCCDBEO-UHFFFAOYSA-N 0 0 323.393 0.667 50 0 DCAARN Cc1ncn(CCNc2nc3c(c(=O)[nH]c(=O)n3C)n2C)c1C ZINC001529159294 1014509114 /nfs/dbraw/zinc/50/91/14/1014509114.db2.gz SDTKOXIRJKWFKJ-UHFFFAOYSA-N 0 0 317.353 0.298 50 0 DCAARN CC1(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)COC1 ZINC001529169472 1014510532 /nfs/dbraw/zinc/51/05/32/1014510532.db2.gz ZQWNICIEIDKDBL-KGLIPLIRSA-N 0 0 304.346 0.395 50 0 DCAARN Cc1ccn(CC(=O)N2C[C@@H](Cc3cc(C)n[nH]3)[C@H](O)C2)n1 ZINC001529174944 1014513811 /nfs/dbraw/zinc/51/38/11/1014513811.db2.gz ZEXLMIFZEBRVEH-TZMCWYRMSA-N 0 0 303.366 0.285 50 0 DCAARN O=C([O-])C[NH+]1CCN(C(=O)/C=C/c2cc(CO)cs2)CC1 ZINC001506395609 1017252821 /nfs/dbraw/zinc/25/28/21/1017252821.db2.gz CGQYXDDQWRSAJH-OWOJBTEDSA-N 0 0 310.375 0.482 50 0 DCAARN CCN(CCn1cccn1)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001506423777 1017266016 /nfs/dbraw/zinc/26/60/16/1017266016.db2.gz JMOKGVLNPMRWHP-UHFFFAOYSA-N 0 0 307.354 0.062 50 0 DCAARN Cc1cc(C(=O)[O-])nc(NCCC[N@@H+]2CCC[C@@H](CO)C2)n1 ZINC001506429621 1017272811 /nfs/dbraw/zinc/27/28/11/1017272811.db2.gz SERVPJWWRWYDIP-GFCCVEGCSA-N 0 0 308.382 0.990 50 0 DCAARN Nc1n[nH]c(SCC(=O)N2CCC(c3ncc[nH]3)CC2)n1 ZINC000095517452 185376784 /nfs/dbraw/zinc/37/67/84/185376784.db2.gz GNUCYQGABPWAGN-UHFFFAOYSA-N 0 0 307.383 0.608 50 0 DCAARN COc1cccn(CC(=O)N2[C@@H]3CC[C@H]2CN(C)C(=O)C3)c1=O ZINC000095527071 185378243 /nfs/dbraw/zinc/37/82/43/185378243.db2.gz XCIJDMVLGHMRSF-NEPJUHHUSA-N 0 0 319.361 0.079 50 0 DCAARN COCCn1ccc(NC(=O)N2CCSC[C@@H]2CCO)n1 ZINC000079110619 185159065 /nfs/dbraw/zinc/15/90/65/185159065.db2.gz DFJJFINITCFQGC-NSHDSACASA-N 0 0 314.411 0.861 50 0 DCAARN CC(=O)[C@@H](NC(=O)CN1CCN(c2nccs2)CC1)C(C)C ZINC000096941533 185393179 /nfs/dbraw/zinc/39/31/79/185393179.db2.gz GEUCPHZXSPTURG-AWEZNQCLSA-N 0 0 324.450 0.995 50 0 DCAARN CC[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1N1CCOCC1 ZINC000089948587 185270717 /nfs/dbraw/zinc/27/07/17/185270717.db2.gz AHXRKISDTYXSJJ-HUUCEWRRSA-N 0 0 306.410 0.842 50 0 DCAARN CCC[C@@H](NC(=O)[C@@H]1CNC(=O)N1)c1nnc2ccccn21 ZINC000089949786 185271285 /nfs/dbraw/zinc/27/12/85/185271285.db2.gz XJIWMKYUHRZZTD-ZJUUUORDSA-N 0 0 302.338 0.368 50 0 DCAARN COCc1noc(CCNC(=O)[C@@H]2CCCN(C(C)=O)C2)n1 ZINC000095391239 185351572 /nfs/dbraw/zinc/35/15/72/185351572.db2.gz JXDIDOTZCVZFHJ-LLVKDONJSA-N 0 0 310.354 0.133 50 0 DCAARN O=C1OCCN1CCN1CCN(Cc2noc(C3CC3)n2)CC1 ZINC000095395088 185352574 /nfs/dbraw/zinc/35/25/74/185352574.db2.gz DBNUHPIMECAUPL-UHFFFAOYSA-N 0 0 321.381 0.517 50 0 DCAARN CC[C@H](C(=O)NCc1cc2c([nH]c1=O)CCC2)N1CCCC1=O ZINC000095404295 185355520 /nfs/dbraw/zinc/35/55/20/185355520.db2.gz WVKDLSBHNKLSQG-CQSZACIVSA-N 0 0 317.389 0.881 50 0 DCAARN CCc1ccnc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c1 ZINC000181480743 199304149 /nfs/dbraw/zinc/30/41/49/199304149.db2.gz NBWNCELFWZEBGM-MEDUHNTESA-N 0 0 316.361 0.752 50 0 DCAARN O=C(N[C@H]1CCC(=O)NC1=O)c1cccc(N2CCCC2=O)c1 ZINC000095430608 185362758 /nfs/dbraw/zinc/36/27/58/185362758.db2.gz HHAOGWLPHROSCP-LBPRGKRZSA-N 0 0 315.329 0.348 50 0 DCAARN CCc1nsc(S(=O)(=O)CC(=O)N(CC)C2CC2)n1 ZINC000095444216 185367078 /nfs/dbraw/zinc/36/70/78/185367078.db2.gz VKSQZTQACKTZGQ-UHFFFAOYSA-N 0 0 303.409 0.885 50 0 DCAARN CC(CO)(CO)NC(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000095450303 185368703 /nfs/dbraw/zinc/36/87/03/185368703.db2.gz AZNCCHPRSMSOFE-UHFFFAOYSA-N 0 0 323.271 0.888 50 0 DCAARN O=C(NC[C@@]1(O)CCOC1)c1ccc(Br)cn1 ZINC000097021464 185398490 /nfs/dbraw/zinc/39/84/90/185398490.db2.gz ZDWOKXIGECKQIH-NSHDSACASA-N 0 0 301.140 0.725 50 0 DCAARN CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(C)nc(NC)n1 ZINC000225559414 201730203 /nfs/dbraw/zinc/73/02/03/201730203.db2.gz BOZPBGLXRNMYAE-VIFPVBQESA-N 0 0 300.384 0.380 50 0 DCAARN COCCN1C[C@@H](C(=O)NC[C@H]2Cc3ccccc3O2)CC1=O ZINC000046277574 190674760 /nfs/dbraw/zinc/67/47/60/190674760.db2.gz DBJZYGUZOKSUPI-UONOGXRCSA-N 0 0 318.373 0.601 50 0 DCAARN C[C@@H]1C[C@@H](C(=O)NCC2(Cn3cccn3)CC2)NC(=S)N1 ZINC000067803356 190723331 /nfs/dbraw/zinc/72/33/31/190723331.db2.gz RNUSBSINJOUQPU-MNOVXSKESA-N 0 0 307.423 0.404 50 0 DCAARN C[C@H](NC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C)c1cn[nH]c1 ZINC000286770816 219157579 /nfs/dbraw/zinc/15/75/79/219157579.db2.gz QCUSJWVHNMIKNQ-MBNYWOFBSA-N 0 0 307.398 0.975 50 0 DCAARN O=C(c1cnn(Cc2ccccc2)c1)N1CCC(O)(CO)CC1 ZINC000067894418 190731215 /nfs/dbraw/zinc/73/12/15/190731215.db2.gz PZYBOYJIVPNNJY-UHFFFAOYSA-N 0 0 315.373 0.891 50 0 DCAARN C[C@H](CNC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)Cn1cccn1 ZINC000230166990 201869076 /nfs/dbraw/zinc/86/90/76/201869076.db2.gz KQLPTBKODVSGLH-HZSPNIEDSA-N 0 0 319.409 0.972 50 0 DCAARN CC[C@@H](C)[C@H](CO)NC(=O)Cn1cnc2ccsc2c1=O ZINC000230216753 201873287 /nfs/dbraw/zinc/87/32/87/201873287.db2.gz IYHLHGAGAYQRLN-KOLCDFICSA-N 0 0 309.391 0.981 50 0 DCAARN COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1SC ZINC000070779715 190916404 /nfs/dbraw/zinc/91/64/04/190916404.db2.gz XTRGLQHAWQSYLI-AWEZNQCLSA-N 0 0 312.391 0.861 50 0 DCAARN COc1cccc(NC(=O)C[C@H](C[N@H+](C)CCO)C(=O)[O-])c1 ZINC000070666384 190909594 /nfs/dbraw/zinc/90/95/94/190909594.db2.gz GPDSAFDUGCWDPI-LLVKDONJSA-N 0 0 310.350 0.649 50 0 biogenic DCAARN Cn1c(=O)cc(C(=O)N2CC[NH2+][C@H](C(=O)[O-])C2)c2ccccc21 ZINC000071707854 191011656 /nfs/dbraw/zinc/01/16/56/191011656.db2.gz WKIBZMFFMWFXFV-LBPRGKRZSA-N 0 0 315.329 0.037 50 0 DCAARN O=C(NCCN1CCc2ccccc2C1)c1ccn2nnnc2c1 ZINC000071752196 191023851 /nfs/dbraw/zinc/02/38/51/191023851.db2.gz WUXMPNWURVYCNO-UHFFFAOYSA-N 0 0 322.372 0.912 50 0 DCAARN Cn1nc2n(c1=O)C[C@@H](C(=O)N1CCC3(CCCO3)CC1)CC2 ZINC000071752493 191024062 /nfs/dbraw/zinc/02/40/62/191024062.db2.gz WDZNUOCAGTWLLM-LBPRGKRZSA-N 0 0 320.393 0.316 50 0 DCAARN O=C([O-])[C@H]1CN(C(=O)c2ccc3cccnc3c2O)CC[NH2+]1 ZINC000071753043 191024160 /nfs/dbraw/zinc/02/41/60/191024160.db2.gz NRSQTCPIANUKPP-LLVKDONJSA-N 0 0 301.302 0.439 50 0 DCAARN COc1ccc(CCC(=O)N2CC[C@H](CO)[C@H](O)C2)cc1OC ZINC000072143267 191049792 /nfs/dbraw/zinc/04/97/92/191049792.db2.gz DZYWXFFZHAALIH-ZIAGYGMSSA-N 0 0 323.389 0.838 50 0 DCAARN O=C(c1cn[nH]n1)N1CCc2c(=O)[nH]c(CC3CC3)nc2C1 ZINC000072145230 191051035 /nfs/dbraw/zinc/05/10/35/191051035.db2.gz ZQDHKXIVPCTXLR-UHFFFAOYSA-N 0 0 300.322 0.039 50 0 DCAARN Cc1cc2c(cc1C(=O)N1CC[C@H](CO)[C@@H](O)C1)OCCO2 ZINC000072146197 191053003 /nfs/dbraw/zinc/05/30/03/191053003.db2.gz NOSSLZRFRYEQQJ-YPMHNXCESA-N 0 0 307.346 0.582 50 0 DCAARN COc1c(F)ccc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c1F ZINC000072150270 191055928 /nfs/dbraw/zinc/05/59/28/191055928.db2.gz APNGCGXIYPNLPM-KCJUWKMLSA-N 0 0 301.289 0.789 50 0 DCAARN Cn1ccnc1[C@@H](NC(=O)c1cn2c(n1)CNCC2)C1CC1 ZINC000072162669 191064002 /nfs/dbraw/zinc/06/40/02/191064002.db2.gz CSXCVYKOYHGHSF-ZDUSSCGKSA-N 0 0 300.366 0.601 50 0 DCAARN CN1C[C@@]2(CCN(C(=O)c3cnc4c(c3)nnn4C)C2)OC1=O ZINC000072168265 191066175 /nfs/dbraw/zinc/06/61/75/191066175.db2.gz BPOBOPFRKOCGFJ-CQSZACIVSA-N 0 0 316.321 0.030 50 0 DCAARN CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)cc1OC ZINC000072171497 191068927 /nfs/dbraw/zinc/06/89/27/191068927.db2.gz YBPULFIWHLWQAN-CYBMUJFWSA-N 0 0 321.377 0.140 50 0 DCAARN CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1 ZINC000072174343 191071246 /nfs/dbraw/zinc/07/12/46/191071246.db2.gz FERGKEOGGAXBIT-CYBMUJFWSA-N 0 0 305.378 0.440 50 0 DCAARN COCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 ZINC000072241753 191085033 /nfs/dbraw/zinc/08/50/33/191085033.db2.gz PBFZHCPCSPGFSA-LSDHHAIUSA-N 0 0 324.352 0.877 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cnn(CC2CC2)c1 ZINC000072251883 191086790 /nfs/dbraw/zinc/08/67/90/191086790.db2.gz ARVZBOCJDDMZQQ-GFCCVEGCSA-N 0 0 312.395 0.656 50 0 DCAARN CC[C@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1N1CCOCC1 ZINC000084735926 192462501 /nfs/dbraw/zinc/46/25/01/192462501.db2.gz PLAQNNJGVCEGRN-LSDHHAIUSA-N 0 0 306.410 0.761 50 0 DCAARN NC(=O)C1(CNC(=O)c2nc3ccccc3c(=O)[nH]2)CCCC1 ZINC000072286282 191105509 /nfs/dbraw/zinc/10/55/09/191105509.db2.gz WQSROKKGZPQLPY-UHFFFAOYSA-N 0 0 314.345 0.699 50 0 DCAARN CCc1nc(CC(=O)N2CCN3C(=O)N(C)C[C@H]3C2)cs1 ZINC000225619614 186284112 /nfs/dbraw/zinc/28/41/12/186284112.db2.gz MKDPGKBEWISBFD-NSHDSACASA-N 0 0 308.407 0.826 50 0 DCAARN CNC(=O)c1ccc(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)cn1 ZINC000264244652 186324768 /nfs/dbraw/zinc/32/47/68/186324768.db2.gz KDUKZJYLHLBEHL-RYUDHWBXSA-N 0 0 320.393 0.280 50 0 DCAARN CNC(=O)c1cnc(/C=C/c2cn(C)c(=O)n(C)c2=O)s1 ZINC000072313376 191120079 /nfs/dbraw/zinc/12/00/79/191120079.db2.gz AZVLLXQFFYPHGN-SNAWJCMRSA-N 0 0 306.347 0.071 50 0 DCAARN O=C([O-])[C@@]12CN(CC3CC3)C(=O)[C@@H]1C[N@H+](Cc1ncc[nH]1)C2 ZINC000072407343 191152984 /nfs/dbraw/zinc/15/29/84/191152984.db2.gz JSFOZXCNRWHVKD-NHYWBVRUSA-N 0 0 304.350 0.165 50 0 DCAARN Cc1nn(C)c(C)c1CNC(=O)c1ccc(-n2cnnn2)cc1 ZINC000072403137 191150614 /nfs/dbraw/zinc/15/06/14/191150614.db2.gz QWKNHEIQLNYCGK-UHFFFAOYSA-N 0 0 311.349 0.943 50 0 DCAARN CCOC[C@@H](O)CNc1ncnc2c1CCN(C(C)=O)CC2 ZINC000072432595 191164177 /nfs/dbraw/zinc/16/41/77/191164177.db2.gz SVADHIGGSBQOJR-LBPRGKRZSA-N 0 0 308.382 0.233 50 0 DCAARN Cn1nc2c(cc1=O)CN(C(=O)c1n[nH]c3c1CCCC3)CC2 ZINC000174448730 198336363 /nfs/dbraw/zinc/33/63/63/198336363.db2.gz MEVQORIJVJJLDE-UHFFFAOYSA-N 0 0 313.361 0.581 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)NCCCN1CCCC1=O ZINC000003423473 181017395 /nfs/dbraw/zinc/01/73/95/181017395.db2.gz NFEZXHLUWROZIT-UHFFFAOYSA-N 0 0 317.345 0.723 50 0 DCAARN CC(C)C[C@@H]1NC(=O)N(CC(=O)NC(=O)NC(C)(C)C)C1=O ZINC000003596933 181038264 /nfs/dbraw/zinc/03/82/64/181038264.db2.gz ILFHKOPAJPERNK-VIFPVBQESA-N 0 0 312.370 0.577 50 0 DCAARN C[C@@]1(C(=O)N2CCN(S(C)(=O)=O)CC2)CC1(Cl)Cl ZINC000003613257 181040867 /nfs/dbraw/zinc/04/08/67/181040867.db2.gz KUVJLSUTSXDJDK-VIFPVBQESA-N 0 0 315.222 0.674 50 0 DCAARN CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1ccc(C)cc1 ZINC000004107549 181073945 /nfs/dbraw/zinc/07/39/45/181073945.db2.gz IIKVNGGJMDHROY-ZDUSSCGKSA-N 0 0 312.391 0.873 50 0 DCAARN CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000004124744 181076665 /nfs/dbraw/zinc/07/66/65/181076665.db2.gz CWKHMXLOOBRICA-GMIGGYDBSA-N 0 0 321.373 0.901 50 0 DCAARN COC(=O)Nc1ccc(S(=O)(=O)NCC(OC)OC)cc1 ZINC000004248103 181087696 /nfs/dbraw/zinc/08/76/96/181087696.db2.gz AFPRBTYRXHTFPE-UHFFFAOYSA-N 0 0 318.351 0.762 50 0 DCAARN CC1=C(C(N)=O)[C@@H](c2cccs2)N2NC(CCCO)=NC2=N1 ZINC000004294238 181093559 /nfs/dbraw/zinc/09/35/59/181093559.db2.gz UWAGTJLHCJESQV-GFCCVEGCSA-N 0 0 319.390 0.909 50 0 DCAARN CC1(C)NC(=O)N(CC(=O)OCC(=O)c2ccc(F)cc2)C1=O ZINC000004361344 181102517 /nfs/dbraw/zinc/10/25/17/181102517.db2.gz DGDHTQBBWQVGEN-UHFFFAOYSA-N 0 0 322.292 0.882 50 0 DCAARN COC(=O)c1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000004309257 181095891 /nfs/dbraw/zinc/09/58/91/181095891.db2.gz CRZYMBCMSATQEC-UHFFFAOYSA-N 0 0 319.317 0.742 50 0 DCAARN COc1cccc(N2C[C@H](NC(=O)NC[C@H](C)O)CC2=O)c1 ZINC000004373300 181103058 /nfs/dbraw/zinc/10/30/58/181103058.db2.gz PETSFAFAKNFJPF-WDEREUQCSA-N 0 0 307.350 0.481 50 0 DCAARN COc1ccc(N2C[C@H](C(=O)N3CCOCC3)CC2=O)cc1 ZINC000004502958 181116228 /nfs/dbraw/zinc/11/62/28/181116228.db2.gz NRJKHVCEHPULNZ-GFCCVEGCSA-N 0 0 304.346 0.907 50 0 DCAARN COc1cc(NC(=O)C[C@@H]2NCCNC2=O)cc(OC)c1OC ZINC000004511194 181117763 /nfs/dbraw/zinc/11/77/63/181117763.db2.gz MJAXVVAUPCUCAO-JTQLQIEISA-N 0 0 323.349 0.129 50 0 DCAARN C[C@H]1CN(C(=O)Cn2nnc(-c3ccccc3)n2)C[C@H](C)O1 ZINC000004549409 181123280 /nfs/dbraw/zinc/12/32/80/181123280.db2.gz SDTJWUVJIYBNCG-RYUDHWBXSA-N 0 0 301.350 0.976 50 0 DCAARN CC(C)[C@H](NC(=O)CCNC(=O)OCc1ccccc1)C(N)=O ZINC000004763827 181149639 /nfs/dbraw/zinc/14/96/39/181149639.db2.gz LSVIHWAWMQIOFE-AWEZNQCLSA-N 0 0 321.377 0.929 50 0 DCAARN Cc1noc(C)c1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000004805320 181153901 /nfs/dbraw/zinc/15/39/01/181153901.db2.gz PUZDIPKBEZYSIU-LBPRGKRZSA-N 0 0 307.350 0.755 50 0 DCAARN CN1C(=O)c2ccc(C(=O)NCCCn3ccnc3)cc2C1=O ZINC000004810585 181154940 /nfs/dbraw/zinc/15/49/40/181154940.db2.gz IZNNFLDOBDAXIR-UHFFFAOYSA-N 0 0 312.329 0.929 50 0 DCAARN COCCNC(=O)C(=O)Nc1cc2c3c(c1)CCCN3C(=O)C2 ZINC000004850575 181162576 /nfs/dbraw/zinc/16/25/76/181162576.db2.gz RDHDMXQXWGPFLD-UHFFFAOYSA-N 0 0 317.345 0.223 50 0 DCAARN NC(=O)CSc1nc(=O)n(Cc2ccco2)c2c1CCC2 ZINC000004940108 181176437 /nfs/dbraw/zinc/17/64/37/181176437.db2.gz QHPDRNYBQZZPKH-UHFFFAOYSA-N 0 0 305.359 0.951 50 0 DCAARN Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CCc3ccccc32)no1 ZINC000075155748 191433270 /nfs/dbraw/zinc/43/32/70/191433270.db2.gz AYERJKCGHWXSFU-INIZCTEOSA-N 0 0 315.329 0.872 50 0 DCAARN CCNC(=O)C[C@H]1C(=O)N(c2ccccc2)C(=O)N1CCOC ZINC000005028468 181192678 /nfs/dbraw/zinc/19/26/78/181192678.db2.gz VSOBJSGDSDGSQR-ZDUSSCGKSA-N 0 0 319.361 0.996 50 0 DCAARN NC(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O ZINC000005032434 181193980 /nfs/dbraw/zinc/19/39/80/181193980.db2.gz UXDQASIVROFQBM-UHFFFAOYSA-N 0 0 318.724 0.175 50 0 DCAARN COc1ccc(N(C)S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005182999 181214654 /nfs/dbraw/zinc/21/46/54/181214654.db2.gz LNUJXALNSHXLDX-LBPRGKRZSA-N 0 0 319.404 0.648 50 0 DCAARN O=C([O-])[C@@H](CC(=O)Nc1ccc(F)cc1F)[NH2+]CCCO ZINC000005258725 181222775 /nfs/dbraw/zinc/22/27/75/181222775.db2.gz LGNIIMXSZVLAPZ-LLVKDONJSA-N 0 0 302.277 0.719 50 0 DCAARN CCS(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000005314595 181228922 /nfs/dbraw/zinc/22/89/22/181228922.db2.gz AVZPNFQPISYTJK-UHFFFAOYSA-N 0 0 304.393 0.988 50 0 DCAARN CNC(=O)C1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000089386030 192778172 /nfs/dbraw/zinc/77/81/72/192778172.db2.gz WWLXVUHRWBKJJI-UHFFFAOYSA-N 0 0 314.349 0.261 50 0 DCAARN Cc1ccccc1O[C@H](C)C(=O)N1CCN(CC(=O)[O-])CC1 ZINC000237553674 202281605 /nfs/dbraw/zinc/28/16/05/202281605.db2.gz KXMLKEHGOQUOGI-CYBMUJFWSA-N 0 0 306.362 0.991 50 0 DCAARN O=C(NCc1cc[nH]n1)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000089834816 192882771 /nfs/dbraw/zinc/88/27/71/192882771.db2.gz LVMPTBYSVUFBTA-AWEZNQCLSA-N 0 0 314.345 0.454 50 0 DCAARN CSc1cccc(N2C[C@@H](C(=O)OCC(N)=O)CC2=O)c1 ZINC000006123700 181314574 /nfs/dbraw/zinc/31/45/74/181314574.db2.gz QXVQCWQYVHITPB-VIFPVBQESA-N 0 0 308.359 0.790 50 0 DCAARN O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O)C1CCCC1 ZINC000244620012 202484804 /nfs/dbraw/zinc/48/48/04/202484804.db2.gz FKFIWMCXDNXQHL-UKRRQHHQSA-N 0 0 317.389 0.963 50 0 DCAARN CC(=O)N1CCC(C(=O)N2CCN(c3nonc3C)CC2)CC1 ZINC000244794819 202497627 /nfs/dbraw/zinc/49/76/27/202497627.db2.gz QUHGESUPQQJTSZ-UHFFFAOYSA-N 0 0 321.381 0.285 50 0 DCAARN NC(=O)c1ccsc1NC(=O)COC(=O)c1cnccn1 ZINC000006486215 181344739 /nfs/dbraw/zinc/34/47/39/181344739.db2.gz VFALWZYNRYXKBR-UHFFFAOYSA-N 0 0 306.303 0.433 50 0 DCAARN CCS(=O)(=O)C[C@@H](C)NC(=O)c1nnc2ccccc2n1 ZINC000390833133 239252142 /nfs/dbraw/zinc/25/21/42/239252142.db2.gz CNSKVKIYMBRYDR-SECBINFHSA-N 0 0 308.363 0.578 50 0 DCAARN CCn1cc(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cn1 ZINC000006637067 181363012 /nfs/dbraw/zinc/36/30/12/181363012.db2.gz PVADPESKZNWNSH-GFCCVEGCSA-N 0 0 314.411 0.191 50 0 DCAARN Cn1c(=O)cc(CNC(=O)Cc2ccc(Cl)cc2)n(C)c1=O ZINC000006669655 181368755 /nfs/dbraw/zinc/36/87/55/181368755.db2.gz SCHGXSODWWLDOI-UHFFFAOYSA-N 0 0 321.764 0.596 50 0 DCAARN CCn1c(=O)c2sccc2n(CC(=O)N2CCCC2)c1=O ZINC000006678862 181369536 /nfs/dbraw/zinc/36/95/36/181369536.db2.gz IFAONKKQJNKVHW-UHFFFAOYSA-N 0 0 307.375 0.867 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000006730446 181378151 /nfs/dbraw/zinc/37/81/51/181378151.db2.gz HQEJVMMNEKNKGV-UHFFFAOYSA-N 0 0 301.343 0.935 50 0 DCAARN CS(=O)(=O)N1CCc2cc(C(=O)NC[C@H]3CCCO3)ccc21 ZINC000006766281 181385159 /nfs/dbraw/zinc/38/51/59/181385159.db2.gz RTSCHYUFMTZVPF-CYBMUJFWSA-N 0 0 324.402 0.918 50 0 DCAARN COCCc1nc(CNC(=O)c2c(C)cc(C)[nH]c2=O)no1 ZINC000091364691 193046258 /nfs/dbraw/zinc/04/62/58/193046258.db2.gz LWXAQWWLKCQMLZ-UHFFFAOYSA-N 0 0 306.322 0.494 50 0 DCAARN Nc1ccnc(N2C[C@H](NS(=O)(=O)C3CC3)[C@@H](C3CC3)C2)n1 ZINC000091433710 193055491 /nfs/dbraw/zinc/05/54/91/193055491.db2.gz IRKYMDGOMWYYIM-NEPJUHHUSA-N 0 0 323.422 0.355 50 0 DCAARN CN1CCN(C(=O)c2ccc(CO)o2)C[C@]12CCNC(=O)CC2 ZINC000091693919 193092978 /nfs/dbraw/zinc/09/29/78/193092978.db2.gz CGJJRHKDKMUBHQ-INIZCTEOSA-N 0 0 321.377 0.198 50 0 DCAARN O=C(CO)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 ZINC000091792830 193109430 /nfs/dbraw/zinc/10/94/30/193109430.db2.gz DRPUUFRUKLTMEB-UHFFFAOYSA-N 0 0 320.393 0.176 50 0 DCAARN Cc1nc2c(s1)CCC[C@H]2NC(=O)CN1C(=O)CNC1=O ZINC000091807012 193111150 /nfs/dbraw/zinc/11/11/50/193111150.db2.gz GBBHNBZJAWENDE-MRVPVSSYSA-N 0 0 308.363 0.497 50 0 DCAARN CN(CCc1ccccn1)C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C ZINC000091830443 193114125 /nfs/dbraw/zinc/11/41/25/193114125.db2.gz VQQWIROXIUDLTI-GFCCVEGCSA-N 0 0 304.350 0.365 50 0 DCAARN Cc1cc(C)c(C(=O)NCc2nnnn2-c2ccccc2)c(=O)[nH]1 ZINC000091988092 193137065 /nfs/dbraw/zinc/13/70/65/193137065.db2.gz DCCKSPWKPYBARJ-UHFFFAOYSA-N 0 0 324.344 0.897 50 0 DCAARN Cn1cnnc1SCCNC(=O)[C@H](O)c1ccc(F)cc1 ZINC000215098575 201451580 /nfs/dbraw/zinc/45/15/80/201451580.db2.gz SXSJOWNSQVAPDY-LLVKDONJSA-N 0 0 310.354 0.896 50 0 DCAARN COCCc1noc([C@@H](C)NC(=O)c2ccc(C)[nH]c2=O)n1 ZINC000218963655 201547776 /nfs/dbraw/zinc/54/77/76/201547776.db2.gz BIWYDVWCVIECJA-SECBINFHSA-N 0 0 306.322 0.746 50 0 DCAARN O=C([C@H]1CCCO1)N1CCc2c(ncnc2N2CCOCC2)C1 ZINC000077517397 296112427 /nfs/dbraw/zinc/11/24/27/296112427.db2.gz LDNTXPBDDQDBHT-CQSZACIVSA-N 0 0 318.377 0.377 50 0 DCAARN CC(=O)NCCN(Cc1ccsc1)S(=O)(=O)N(C)C ZINC000252498628 202854792 /nfs/dbraw/zinc/85/47/92/202854792.db2.gz RGIUDODZNLTKTR-UHFFFAOYSA-N 0 0 305.425 0.493 50 0 DCAARN Cc1ccc(CC(=O)OCC(=O)N2CCC[C@H](C(N)=O)C2)cc1 ZINC000007308572 181453242 /nfs/dbraw/zinc/45/32/42/181453242.db2.gz NMFLPURAAMMPJL-AWEZNQCLSA-N 0 0 318.373 0.805 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](C(=O)OC)N(C(=O)c2ccccc2)CC1=O ZINC000072194205 284146401 /nfs/dbraw/zinc/14/64/01/284146401.db2.gz KQXKRUDATDKFEL-NEPJUHHUSA-N 0 0 319.313 0.432 50 0 DCAARN CN1CC(=O)N(CC(=O)N(Cc2ccccn2)C2CC2)C1=O ZINC000095946651 193454580 /nfs/dbraw/zinc/45/45/80/193454580.db2.gz YQBAWNLCENPZAS-UHFFFAOYSA-N 0 0 302.334 0.467 50 0 DCAARN CN(C)c1nc(N)nc(CN2CCC(Cn3ccnn3)CC2)n1 ZINC000095973435 193468837 /nfs/dbraw/zinc/46/88/37/193468837.db2.gz UYWFPHLECUCGOS-UHFFFAOYSA-N 0 0 317.401 0.024 50 0 DCAARN Cc1cccc2c(=O)n(CCC(=O)Nc3nnnn3C)cnc12 ZINC000095997573 193485630 /nfs/dbraw/zinc/48/56/30/193485630.db2.gz LYFDEVDWUDCKOQ-UHFFFAOYSA-N 0 0 313.321 0.257 50 0 DCAARN O=C(CNC(=O)c1cnccn1)NCCc1nc2ccccc2[nH]1 ZINC000096117876 193544828 /nfs/dbraw/zinc/54/48/28/193544828.db2.gz YJXXXQIRHXUBIC-UHFFFAOYSA-N 0 0 324.344 0.442 50 0 DCAARN O=C(Nc1cc(F)c(F)c(F)c1)N1CCNC(=O)[C@H]1CCO ZINC000096130634 193547559 /nfs/dbraw/zinc/54/75/59/193547559.db2.gz LLRXDXIQZCROCR-SNVBAGLBSA-N 0 0 317.267 0.819 50 0 DCAARN CNS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(Cl)c1 ZINC000096193161 193571875 /nfs/dbraw/zinc/57/18/75/193571875.db2.gz VZJGFAQOZFXAJS-UHFFFAOYSA-N 0 0 306.771 0.715 50 0 DCAARN C[C@@](NS(C)(=O)=O)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454059 193654706 /nfs/dbraw/zinc/65/47/06/193654706.db2.gz JUJADEHAVIVNCH-JTQLQIEISA-N 0 0 310.297 0.955 50 0 DCAARN NS(=O)(=O)c1ccc(OCCOC(=O)c2ccccn2)cc1 ZINC000008132230 181529189 /nfs/dbraw/zinc/52/91/89/181529189.db2.gz ACPFLVYJTPASRF-UHFFFAOYSA-N 0 0 322.342 0.965 50 0 DCAARN Cn1c2ncn(C[C@H](O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000008719786 181578515 /nfs/dbraw/zinc/57/85/15/181578515.db2.gz WQGHUGJOXDNLKL-NSHDSACASA-N 0 0 300.318 0.167 50 0 DCAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(C)=O ZINC000010216635 181660715 /nfs/dbraw/zinc/66/07/15/181660715.db2.gz FFSIHIBBKGSQKA-UHFFFAOYSA-N 0 0 307.375 0.876 50 0 DCAARN CC(C)n1nc(Oc2nc(N(C)C)nc(N(C)C)n2)ccc1=O ZINC000012383149 181754463 /nfs/dbraw/zinc/75/44/63/181754463.db2.gz RZPFICZYYOHXRA-UHFFFAOYSA-N 0 0 319.369 0.934 50 0 DCAARN Cc1nn(C)c(C)c1NC(=O)CN1CCN(C(=O)C2CC2)CC1 ZINC000012975879 181816946 /nfs/dbraw/zinc/81/69/46/181816946.db2.gz KFMZYSUAEVLITD-UHFFFAOYSA-N 0 0 319.409 0.530 50 0 DCAARN COCCN1CN(S(=O)(=O)c2ccc(OC)cc2)CC1=O ZINC000282543989 217076207 /nfs/dbraw/zinc/07/62/07/217076207.db2.gz WPJHLRFUCCEKFI-UHFFFAOYSA-N 0 0 314.363 0.132 50 0 DCAARN COc1ccc(NC(=O)CN2CCCC2)cc1S(N)(=O)=O ZINC000015376647 181999998 /nfs/dbraw/zinc/99/99/98/181999998.db2.gz BDYROFHDQVTSMU-UHFFFAOYSA-N 0 0 313.379 0.377 50 0 DCAARN CNC(=O)CN(C)S(=O)(=O)c1cc(C)c(C)cc1OC ZINC000016648865 182055339 /nfs/dbraw/zinc/05/53/39/182055339.db2.gz ZNCFFZUWVVLFTO-UHFFFAOYSA-N 0 0 300.380 0.679 50 0 DCAARN CNC(=O)NC(=O)CSc1c2c(nc3ncnn31)CCCC2 ZINC000017173077 182078676 /nfs/dbraw/zinc/07/86/76/182078676.db2.gz ANJZLJIAEZIZAG-UHFFFAOYSA-N 0 0 320.378 0.551 50 0 DCAARN Nc1nc(N)nc(COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)n1 ZINC000017672662 182085251 /nfs/dbraw/zinc/08/52/51/182085251.db2.gz HNUVBFCRMSYUHW-JVHMLUBASA-N 0 0 305.338 0.475 50 0 DCAARN NC(=O)C1CCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000018116963 182093719 /nfs/dbraw/zinc/09/37/19/182093719.db2.gz LFMAFENBLTWAJM-CYBMUJFWSA-N 0 0 319.336 0.655 50 0 DCAARN COc1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@H]3C2=O)cc1 ZINC000017969124 182088737 /nfs/dbraw/zinc/08/87/37/182088737.db2.gz NVTXREHUIIOIME-MPZDIEGVSA-N 0 0 314.297 0.278 50 0 DCAARN COc1ccc(N2C(=O)C[C@@H](SC[C@@H]([NH3+])C(=O)[O-])C2=O)cc1 ZINC000019720204 182138131 /nfs/dbraw/zinc/13/81/31/182138131.db2.gz PTIQUTKBLSYTIH-GHMZBOCLSA-N 0 0 324.358 0.472 50 0 DCAARN O=S1(=O)N=C(NCCCN2CCOCC2)c2ccccc21 ZINC000019854003 182157055 /nfs/dbraw/zinc/15/70/55/182157055.db2.gz HVDVJAMHCBZPLU-UHFFFAOYSA-N 0 0 309.391 0.447 50 0 DCAARN CCN1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000019849954 182157264 /nfs/dbraw/zinc/15/72/64/182157264.db2.gz XWYPRNOCEZAKSI-UHFFFAOYSA-N 0 0 301.346 0.447 50 0 DCAARN COc1cccc(OCC(=O)NCCCN2CCOCC2)c1 ZINC000019877227 182160065 /nfs/dbraw/zinc/16/00/65/182160065.db2.gz SVSPOPXMAWHOSV-UHFFFAOYSA-N 0 0 308.378 0.913 50 0 DCAARN COc1ccc(F)cc1S(=O)(=O)NCCN1CCOCC1 ZINC000020026304 182180199 /nfs/dbraw/zinc/18/01/99/182180199.db2.gz BCUJSFPLFMXFOK-UHFFFAOYSA-N 0 0 318.370 0.445 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000020050200 182183505 /nfs/dbraw/zinc/18/35/05/182183505.db2.gz RRISMKNSMCAUBV-CYBMUJFWSA-N 0 0 317.455 0.907 50 0 DCAARN CCN1CCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000020046448 182183901 /nfs/dbraw/zinc/18/39/01/182183901.db2.gz WEOAFGCTMYUXAA-UHFFFAOYSA-N 0 0 317.455 0.212 50 0 DCAARN CC[C@H](C(=O)N1CCN(C)CC1)n1nnc2ccccc2c1=O ZINC000020412043 182215313 /nfs/dbraw/zinc/21/53/13/182215313.db2.gz GJULKZIQHVIFCO-CQSZACIVSA-N 0 0 315.377 0.517 50 0 DCAARN CC[C@@H](C)N1CNc2c(c(=O)[nH]c(=O)n2Cc2cccnc2)C1 ZINC000020573679 182234035 /nfs/dbraw/zinc/23/40/35/182234035.db2.gz RDVXPWICKWCMGC-LLVKDONJSA-N 0 0 315.377 0.963 50 0 DCAARN NS(=O)(=O)c1ccc(C(=O)NCCc2cscn2)cc1 ZINC000020599767 182236318 /nfs/dbraw/zinc/23/63/18/182236318.db2.gz QHXCNUMCBCHURP-UHFFFAOYSA-N 0 0 311.388 0.763 50 0 DCAARN CSCC[C@@H]1NC(=O)N(CC(=O)N[C@H](C)C(C)C)C1=O ZINC000020823635 182247847 /nfs/dbraw/zinc/24/78/47/182247847.db2.gz MGBWCHCVSRQOHR-ZJUUUORDSA-N 0 0 301.412 0.821 50 0 DCAARN CN(C)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cn1 ZINC000022420487 182321337 /nfs/dbraw/zinc/32/13/37/182321337.db2.gz FFQZBTIONAMYQX-UHFFFAOYSA-N 0 0 324.344 0.891 50 0 DCAARN C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCN(CCO)CC1 ZINC000022943184 182343634 /nfs/dbraw/zinc/34/36/34/182343634.db2.gz ZZWRGPPDYCTYEJ-AWEZNQCLSA-N 0 0 323.412 0.483 50 0 DCAARN COc1cccc(N2C(=O)C[C@@H](N3CCN(C)CC3)C2=O)c1 ZINC000022972197 182344217 /nfs/dbraw/zinc/34/42/17/182344217.db2.gz NHUYKXDRQRAKRB-CQSZACIVSA-N 0 0 303.362 0.575 50 0 DCAARN CC(=O)c1ccccc1NCC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000022894039 182339046 /nfs/dbraw/zinc/33/90/46/182339046.db2.gz SBVGFTNOKOCOON-HNNXBMFYSA-N 0 0 324.402 0.995 50 0 DCAARN C[C@H](OC(=O)CN(C)c1ncccn1)C(=O)NC1CCCC1 ZINC000023173928 182352609 /nfs/dbraw/zinc/35/26/09/182352609.db2.gz VWORCUVJBSPOHB-NSHDSACASA-N 0 0 306.366 0.903 50 0 DCAARN CCc1nc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cs1 ZINC000023294415 182356716 /nfs/dbraw/zinc/35/67/16/182356716.db2.gz MAHUCMBYCDSGPK-UHFFFAOYSA-N 0 0 305.363 0.501 50 0 DCAARN Cc1noc(COC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)n1 ZINC000023382989 182359313 /nfs/dbraw/zinc/35/93/13/182359313.db2.gz LETBUHIBYXLGNI-UHFFFAOYSA-N 0 0 316.273 0.125 50 0 DCAARN COc1ccc(COC[C@@H](O)CN2CCN(C(C)=O)CC2)cc1 ZINC000023466398 182361368 /nfs/dbraw/zinc/36/13/68/182361368.db2.gz AZPUQEPXIQKQAN-INIZCTEOSA-N 0 0 322.405 0.737 50 0 DCAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2N)CC1 ZINC000023458580 182361509 /nfs/dbraw/zinc/36/15/09/182361509.db2.gz ICHFWZWANVKTGF-UHFFFAOYSA-N 0 0 307.354 0.752 50 0 DCAARN C[C@@H]1Cc2ccccc2N1CCNC(=O)C[C@H]1NC(=O)NC1=O ZINC000097989788 193772463 /nfs/dbraw/zinc/77/24/63/193772463.db2.gz UVTDQDTYCDZIRZ-ZYHUDNBSSA-N 0 0 316.361 0.152 50 0 DCAARN CC(=O)N1CCN(C[C@H](O)COCc2ccccc2F)CC1 ZINC000023623581 182364789 /nfs/dbraw/zinc/36/47/89/182364789.db2.gz FEOWFJCOXCWMHL-HNNXBMFYSA-N 0 0 310.369 0.867 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)NCCc2cccnc2)cc1 ZINC000023875239 182369948 /nfs/dbraw/zinc/36/99/48/182369948.db2.gz SHQBPBBDJQDWBB-UHFFFAOYSA-N 0 0 319.386 0.962 50 0 DCAARN O=C1[C@@H]2CCCN2C(=O)N1C[C@H](O)COc1ccc(F)cc1 ZINC000024719707 182389018 /nfs/dbraw/zinc/38/90/18/182389018.db2.gz JHQVMKVLWMOOQV-AAEUAGOBSA-N 0 0 308.309 0.992 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cnn(C)c2)c1 ZINC000024471355 182381386 /nfs/dbraw/zinc/38/13/86/182381386.db2.gz YSBZRRINRSFDFP-UHFFFAOYSA-N 0 0 322.390 0.600 50 0 DCAARN CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)N1CCNC1=O ZINC000024535140 182382365 /nfs/dbraw/zinc/38/23/65/182382365.db2.gz OEERQHVULOJFRD-ZETCQYMHSA-N 0 0 312.351 0.590 50 0 DCAARN COCCNS(=O)(=O)c1ccc(C(=O)NCC2CC2)cc1 ZINC000024928518 182395343 /nfs/dbraw/zinc/39/53/43/182395343.db2.gz LVWASWOABLQYQF-UHFFFAOYSA-N 0 0 312.391 0.751 50 0 DCAARN COC(=O)[C@@H]1CCCN1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000024928626 182395471 /nfs/dbraw/zinc/39/54/71/182395471.db2.gz GLEJXLVYMQMWPB-LBPRGKRZSA-N 0 0 316.313 0.447 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)n(C)c1 ZINC000025434345 182415193 /nfs/dbraw/zinc/41/51/93/182415193.db2.gz LRUUXGLLRGPPFO-UWVGGRQHSA-N 0 0 315.395 0.183 50 0 DCAARN NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-n3cccn3)nc2)C1 ZINC000032965956 182685362 /nfs/dbraw/zinc/68/53/62/182685362.db2.gz WGLNUCPDYHRJOK-LLVKDONJSA-N 0 0 314.349 0.997 50 0 DCAARN CCCNC(=O)Cn1c(=O)ccn(Cc2ccccc2C)c1=O ZINC000033330923 182705188 /nfs/dbraw/zinc/70/51/88/182705188.db2.gz GGMIRXUZJQIAOO-UHFFFAOYSA-N 0 0 315.373 0.893 50 0 DCAARN COCCNC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)n1 ZINC000038664519 183005512 /nfs/dbraw/zinc/00/55/12/183005512.db2.gz AOCNJIWHYPVSEY-UHFFFAOYSA-N 0 0 305.309 0.807 50 0 DCAARN CCc1cc2c(ncn(CC(=O)N3CCOCC3)c2=O)s1 ZINC000040464880 183071842 /nfs/dbraw/zinc/07/18/42/183071842.db2.gz NHCZWKJADYELBT-UHFFFAOYSA-N 0 0 307.375 0.879 50 0 DCAARN CCNC(=O)[C@@H]1C[C@@H](c2ccc(F)cc2)NS(=O)(=O)N1C ZINC000040474707 183074029 /nfs/dbraw/zinc/07/40/29/183074029.db2.gz QCMXKPCKIDVAHK-RYUDHWBXSA-N 0 0 315.370 0.541 50 0 DCAARN O=C(CNC(=O)Nc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000040477889 183075828 /nfs/dbraw/zinc/07/58/28/183075828.db2.gz GNCKJBJUZLSKMW-LLVKDONJSA-N 0 0 311.363 0.111 50 0 DCAARN O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cccnc1 ZINC000040490225 183079634 /nfs/dbraw/zinc/07/96/34/183079634.db2.gz MRONVTYCXJVCEC-UKRRQHHQSA-N 0 0 320.393 0.940 50 0 DCAARN NC(=O)CN1CCC(NC(=O)c2ccc3c(c2)CCO3)CC1 ZINC000040498468 183082967 /nfs/dbraw/zinc/08/29/67/183082967.db2.gz AZOMBWLSEBYYBZ-UHFFFAOYSA-N 0 0 303.362 0.301 50 0 DCAARN O=C(NCCCn1cccn1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000040508931 183086252 /nfs/dbraw/zinc/08/62/52/183086252.db2.gz LFHOYWKEHGGEMJ-JTQLQIEISA-N 0 0 318.299 0.800 50 0 DCAARN O=C(NCC(F)(F)F)[C@@H]1CCCN1c1ccc2nnnn2n1 ZINC000040511183 183086694 /nfs/dbraw/zinc/08/66/94/183086694.db2.gz VAVSWIGTPJHFBO-ZETCQYMHSA-N 0 0 315.259 0.167 50 0 DCAARN O=C(NCCNc1ncccn1)[C@@H]1COc2ccccc2O1 ZINC000040513659 183087997 /nfs/dbraw/zinc/08/79/97/183087997.db2.gz IFAXEMUTEGSTKD-ZDUSSCGKSA-N 0 0 300.318 0.845 50 0 DCAARN O=C(CN1CCCS1(=O)=O)NCCc1ccc(F)cc1 ZINC000040513436 183088025 /nfs/dbraw/zinc/08/80/25/183088025.db2.gz KJXSDAUBBMSKSC-UHFFFAOYSA-N 0 0 300.355 0.520 50 0 DCAARN CS(=O)(=O)Cc1ccc(C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000040521331 183090794 /nfs/dbraw/zinc/09/07/94/183090794.db2.gz WUTDTMSRXNGJTB-ZDUSSCGKSA-N 0 0 324.402 0.630 50 0 DCAARN Cn1cc(S(=O)(=O)NCCCN2CCCCCC2=O)cn1 ZINC000040528047 183093466 /nfs/dbraw/zinc/09/34/66/183093466.db2.gz DMOQEVYDUDZDEO-UHFFFAOYSA-N 0 0 314.411 0.491 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@H]1c1ccsc1 ZINC000040534483 183094681 /nfs/dbraw/zinc/09/46/81/183094681.db2.gz BRNJZFIVYODONC-LLVKDONJSA-N 0 0 305.359 0.962 50 0 DCAARN Cc1ccccc1[C@@H](C)NC(=O)CS(=O)(=O)c1nncn1C ZINC000040539977 183097059 /nfs/dbraw/zinc/09/70/59/183097059.db2.gz FVBORLUPUDVUTP-LLVKDONJSA-N 0 0 322.390 0.775 50 0 DCAARN O=C(CCS(=O)(=O)C1CCCC1)N[C@H]1CCCCNC1=O ZINC000040540815 183097806 /nfs/dbraw/zinc/09/78/06/183097806.db2.gz XBESBFMVICCNDF-LBPRGKRZSA-N 0 0 316.423 0.519 50 0 DCAARN O=C(NCCOc1ccc2c(c1)OCO2)c1ccc(=O)[nH]n1 ZINC000040541369 183097882 /nfs/dbraw/zinc/09/78/82/183097882.db2.gz ZOHMOFALFYGILZ-UHFFFAOYSA-N 0 0 303.274 0.307 50 0 DCAARN CC(C)c1noc([C@H]2CCCCN2C(=O)Cn2cnnn2)n1 ZINC000040714912 183122898 /nfs/dbraw/zinc/12/28/98/183122898.db2.gz ZMZWVVXNSQJQIY-SNVBAGLBSA-N 0 0 305.342 0.933 50 0 DCAARN Cn1nc(C(=O)NCc2ccccn2)c2c1CCS(=O)(=O)C2 ZINC000041070321 183162530 /nfs/dbraw/zinc/16/25/30/183162530.db2.gz AARFUKQBNAERCM-UHFFFAOYSA-N 0 0 320.374 0.216 50 0 DCAARN O=C(NCc1ccc(F)cc1)c1[nH]nc2c1CS(=O)(=O)CC2 ZINC000041120950 183167523 /nfs/dbraw/zinc/16/75/23/183167523.db2.gz GVSNWSLSYVPMQZ-UHFFFAOYSA-N 0 0 323.349 0.950 50 0 DCAARN CCn1nc(C(=O)N2CC[C@@H](C(N)=O)C2)c2ccccc2c1=O ZINC000041126590 183168768 /nfs/dbraw/zinc/16/87/68/183168768.db2.gz VXOARZJZKBWIHD-SNVBAGLBSA-N 0 0 314.345 0.364 50 0 DCAARN CC(=O)N1CCC[C@@H](C(=O)NCc2nnc3n2CCCC3)C1 ZINC000041140471 183172584 /nfs/dbraw/zinc/17/25/84/183172584.db2.gz HSVMVZVEKMOQPV-GFCCVEGCSA-N 0 0 305.382 0.489 50 0 DCAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC[C@@H]1CCOC1 ZINC000041379591 183188124 /nfs/dbraw/zinc/18/81/24/183188124.db2.gz KNLNUFATKZFDPV-JTQLQIEISA-N 0 0 303.318 0.255 50 0 DCAARN Cc1nn(C)c(C)c1CC(=O)NCCN1C[C@H](C)O[C@@H](C)C1 ZINC000042032489 183230204 /nfs/dbraw/zinc/23/02/04/183230204.db2.gz ZGEXODRXBMNSMY-RYUDHWBXSA-N 0 0 308.426 0.805 50 0 DCAARN CCCNC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)N(C)C)C1 ZINC000042467730 183273485 /nfs/dbraw/zinc/27/34/85/183273485.db2.gz XHYQTEJKGRPLHG-NEPJUHHUSA-N 0 0 312.414 0.411 50 0 DCAARN CC(C)CO[C@@H](C)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000042773248 183306804 /nfs/dbraw/zinc/30/68/04/183306804.db2.gz VOZDGTQKKMHCGZ-NWDGAFQWSA-N 0 0 306.428 0.588 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CCO1 ZINC000042627907 183292046 /nfs/dbraw/zinc/29/20/46/183292046.db2.gz URZDHBXBWFSZOO-SECBINFHSA-N 0 0 312.347 0.427 50 0 DCAARN C[C@H](OCCCNC(=O)C[C@H]1NC(=O)NC1=O)c1ccccc1 ZINC000042853183 183314336 /nfs/dbraw/zinc/31/43/36/183314336.db2.gz NETZVWBDINGHHT-WCQYABFASA-N 0 0 319.361 0.869 50 0 DCAARN CCN(C[C@H]1COc2ccccc2O1)C(=O)NCCNC(C)=O ZINC000043140479 183340455 /nfs/dbraw/zinc/34/04/55/183340455.db2.gz AQUCIMCSIAHJLV-ZDUSSCGKSA-N 0 0 321.377 0.994 50 0 DCAARN CC(=O)N(C)CC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000044913342 183455726 /nfs/dbraw/zinc/45/57/26/183455726.db2.gz SPMBAXIIRHZTAG-ZDUSSCGKSA-N 0 0 315.377 0.914 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 ZINC000044873613 183445930 /nfs/dbraw/zinc/44/59/30/183445930.db2.gz VIAKLQOWKQKRTI-NSHDSACASA-N 0 0 306.347 0.184 50 0 DCAARN Cc1nccc(N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)n1 ZINC000274123727 211375139 /nfs/dbraw/zinc/37/51/39/211375139.db2.gz ZNFVIYPFPUSZDB-UHFFFAOYSA-N 0 0 306.366 0.775 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)Cn2cccn2)cc1 ZINC000045742108 183526467 /nfs/dbraw/zinc/52/64/67/183526467.db2.gz DZGVVUUSIHJRGA-LLVKDONJSA-N 0 0 322.390 0.610 50 0 DCAARN NC(=O)C(NC(=O)c1ccc(-c2ccccc2F)s1)C(N)=O ZINC000046333208 183559542 /nfs/dbraw/zinc/55/95/42/183559542.db2.gz IBZFKDKMEGFLLK-UHFFFAOYSA-N 0 0 321.333 0.623 50 0 DCAARN COc1ncccc1NC(=O)NCC1(C(N)=O)CCOCC1 ZINC000047046976 183579785 /nfs/dbraw/zinc/57/97/85/183579785.db2.gz MKFLVDCWJJFJJW-UHFFFAOYSA-N 0 0 308.338 0.494 50 0 DCAARN Cc1cc(CN(C)S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)no1 ZINC000106050565 194181856 /nfs/dbraw/zinc/18/18/56/194181856.db2.gz LRARFZDVIVGYRO-QWRGUYRKSA-N 0 0 303.384 0.769 50 0 DCAARN Cc1nn(C)c2ncc(NC(=O)[C@@H]3CCS(=O)(=O)C3)cc12 ZINC000048287324 183638522 /nfs/dbraw/zinc/63/85/22/183638522.db2.gz COBIDJFCSYGXIK-SECBINFHSA-N 0 0 308.363 0.650 50 0 DCAARN Cc1ccc(NCCCNC(=O)N2CCNC(=O)[C@@H]2C)nc1 ZINC000106533129 194225904 /nfs/dbraw/zinc/22/59/04/194225904.db2.gz DXUYOWFNZQOPLK-LBPRGKRZSA-N 0 0 305.382 0.722 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)NCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000106625695 194238003 /nfs/dbraw/zinc/23/80/03/194238003.db2.gz DHERFWYMDYXRHB-MCIONIFRSA-N 0 0 309.414 0.680 50 0 DCAARN CCCCN(CC(N)=O)S(=O)(=O)c1ccccc1OC ZINC000048666462 183675855 /nfs/dbraw/zinc/67/58/55/183675855.db2.gz RRFZFTYLCGTCJN-UHFFFAOYSA-N 0 0 300.380 0.971 50 0 DCAARN O=C(Cn1cnnn1)N1CCN(CCc2ccccc2)CC1 ZINC000053666669 183909411 /nfs/dbraw/zinc/90/94/11/183909411.db2.gz PDWKMBQXBHGBRZ-UHFFFAOYSA-N 0 0 300.366 0.060 50 0 DCAARN CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000054253716 183931242 /nfs/dbraw/zinc/93/12/42/183931242.db2.gz FJLGTHHZLUMWBS-NSHDSACASA-N 0 0 306.318 0.991 50 0 DCAARN COc1ccc(-c2noc(CN3CCNC(=O)C3)n2)cc1OC ZINC000055941453 184001225 /nfs/dbraw/zinc/00/12/25/184001225.db2.gz VMRVAWHSCJMYMI-UHFFFAOYSA-N 0 0 318.333 0.686 50 0 DCAARN COc1cccc(CNC(=O)N2CC[C@@H](C(N)=O)C2)c1OC ZINC000056445071 184012803 /nfs/dbraw/zinc/01/28/03/184012803.db2.gz AQNALRFQCJOGAR-LLVKDONJSA-N 0 0 307.350 0.721 50 0 DCAARN NC(=O)C1(CNC(=O)CCOCC(F)(F)F)CCOCC1 ZINC000057006640 184024283 /nfs/dbraw/zinc/02/42/83/184024283.db2.gz JRLBBRIKMKYGTB-UHFFFAOYSA-N 0 0 312.288 0.354 50 0 DCAARN Cc1cc(C(=O)NC2CCN(C(=O)[C@H]3CCCO3)CC2)on1 ZINC000058173078 184084297 /nfs/dbraw/zinc/08/42/97/184084297.db2.gz QNNHJFYSTYVWBW-GFCCVEGCSA-N 0 0 307.350 0.883 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1ccc(C)c(F)c1 ZINC000058174501 184084535 /nfs/dbraw/zinc/08/45/35/184084535.db2.gz SWJGXTUETVNBLU-UHFFFAOYSA-N 0 0 304.343 0.257 50 0 DCAARN CN(Cc1ccsc1)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000058343939 184107316 /nfs/dbraw/zinc/10/73/16/184107316.db2.gz BKOKIULYIPTCPD-LBPRGKRZSA-N 0 0 316.448 0.825 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)OCc1cccc(F)c1 ZINC000058916859 184131253 /nfs/dbraw/zinc/13/12/53/184131253.db2.gz HCBNIZCYTKGRNG-UHFFFAOYSA-N 0 0 301.339 0.599 50 0 DCAARN CC(C)(C)NC(=O)COC(=O)c1sccc1-n1cnnn1 ZINC000058938797 184132407 /nfs/dbraw/zinc/13/24/07/184132407.db2.gz GWPTUFMTHUHRKV-UHFFFAOYSA-N 0 0 309.351 0.795 50 0 DCAARN CN(C)c1ncnc2c1CN(CC(=O)NC[C@@H]1CCCO1)CC2 ZINC000062639867 184246225 /nfs/dbraw/zinc/24/62/25/184246225.db2.gz HWMLWDORAVSPBZ-LBPRGKRZSA-N 0 0 319.409 0.196 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN=C2N2CCOCC2)c(C)c1 ZINC000064929774 184306199 /nfs/dbraw/zinc/30/61/99/184306199.db2.gz PJIFIBNSUOJTLM-UHFFFAOYSA-N 0 0 323.418 0.996 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN=C2N2CCOCC2)cc1C ZINC000064929775 184306275 /nfs/dbraw/zinc/30/62/75/184306275.db2.gz AAZOHQXJHTZVKR-UHFFFAOYSA-N 0 0 323.418 0.996 50 0 DCAARN NC(=O)CN1CCC=C(CNC(=O)COc2ccccc2)C1 ZINC000065372101 184329714 /nfs/dbraw/zinc/32/97/14/184329714.db2.gz IQLZZNXPOGGLQW-UHFFFAOYSA-N 0 0 303.362 0.299 50 0 DCAARN CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000065493902 184354142 /nfs/dbraw/zinc/35/41/42/184354142.db2.gz OJRJKYVMFKNYFP-NWDGAFQWSA-N 0 0 324.468 0.472 50 0 DCAARN CC(C)[C@H](NC(N)=O)C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000065428728 184343310 /nfs/dbraw/zinc/34/33/10/184343310.db2.gz DOIZGJRWKWXRLX-ZDUSSCGKSA-N 0 0 316.365 0.576 50 0 DCAARN CC(C)[C@@H](NC(N)=O)C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000065428734 184343373 /nfs/dbraw/zinc/34/33/73/184343373.db2.gz DOIZGJRWKWXRLX-CYBMUJFWSA-N 0 0 316.365 0.576 50 0 DCAARN O=C(Nc1n[nH]c(C(F)(F)F)n1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000065434090 184344001 /nfs/dbraw/zinc/34/40/01/184344001.db2.gz VUUOOSVZSOSMRK-RXMQYKEDSA-N 0 0 303.244 0.773 50 0 DCAARN CCC(=O)N[C@H]1CCCN(Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000065433608 184344050 /nfs/dbraw/zinc/34/40/50/184344050.db2.gz FRQHGCPHHFJHRJ-JTQLQIEISA-N 0 0 318.381 0.147 50 0 DCAARN COCCCNC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000065447695 184346096 /nfs/dbraw/zinc/34/60/96/184346096.db2.gz QYYZDCAOFOIGOC-LLVKDONJSA-N 0 0 307.416 0.136 50 0 DCAARN C[C@H](NC(=O)N1CCC(NS(C)(=O)=O)CC1)[C@H]1CCCO1 ZINC000065447677 184346165 /nfs/dbraw/zinc/34/61/65/184346165.db2.gz YWANXNLQRGNZSN-CMPLNLGQSA-N 0 0 319.427 0.277 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](NC(=O)c2c(C)nc3ncccn32)CN1C ZINC000065397307 184336186 /nfs/dbraw/zinc/33/61/86/184336186.db2.gz ZSSDXWOUJHQCHT-MNOVXSKESA-N 0 0 317.349 0.013 50 0 DCAARN CNC(=O)CSc1nc2nc(C)cc(C(=O)OC)c2c(=O)[nH]1 ZINC000065536343 184362289 /nfs/dbraw/zinc/36/22/89/184362289.db2.gz PRWNQRYPGHEGCL-UHFFFAOYSA-N 0 0 322.346 0.251 50 0 DCAARN CN(C)C(=O)COC(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000065538216 184362857 /nfs/dbraw/zinc/36/28/57/184362857.db2.gz GLFJGGYCKHIQAB-INIZCTEOSA-N 0 0 320.389 0.816 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)c2[nH]nc3ccccc32)CC1 ZINC000065593281 184370359 /nfs/dbraw/zinc/37/03/59/184370359.db2.gz SZMBUDSICMSQII-UHFFFAOYSA-N 0 0 322.390 0.717 50 0 DCAARN CC[C@H](O)Cn1cc(C2=CCN(CCNC(C)=O)CC2)cn1 ZINC000065496926 184355181 /nfs/dbraw/zinc/35/51/81/184355181.db2.gz NNTAMWVYRWSMDH-INIZCTEOSA-N 0 0 306.410 0.879 50 0 DCAARN Cc1noc(C)c1CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000065521754 184359022 /nfs/dbraw/zinc/35/90/22/184359022.db2.gz OMAAIZHOVPKDFO-LBPRGKRZSA-N 0 0 315.395 0.722 50 0 DCAARN CS(=O)(=O)NCC(=O)NCC1(Sc2ccccc2)CC1 ZINC000068608054 184493436 /nfs/dbraw/zinc/49/34/36/184493436.db2.gz DXRFEBYCJKBKAL-UHFFFAOYSA-N 0 0 314.432 0.977 50 0 DCAARN CNC(=O)[C@@H]1CN(Cc2ccc3c(c2)OC(F)(F)O3)CCO1 ZINC000351717411 254361629 /nfs/dbraw/zinc/36/16/29/254361629.db2.gz DTLXTGCMANYPPF-LBPRGKRZSA-N 0 0 314.288 0.955 50 0 DCAARN CC(C)(C)CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000058332907 256538780 /nfs/dbraw/zinc/53/87/80/256538780.db2.gz BCUXHTWQAYMKKQ-ZDUSSCGKSA-N 0 0 319.405 0.752 50 0 DCAARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC1CCOCC1 ZINC000194669502 257213667 /nfs/dbraw/zinc/21/36/67/257213667.db2.gz CUHQQAOWOGRHNC-UHFFFAOYSA-N 0 0 317.345 0.233 50 0 DCAARN COc1cc(NC2=CC(=O)NC2)ccc1N1CCCS1(=O)=O ZINC000524733200 257214200 /nfs/dbraw/zinc/21/42/00/257214200.db2.gz DZYMRPLUCPPPQV-UHFFFAOYSA-N 0 0 323.374 0.661 50 0 DCAARN O=C([C@H](c1cccnc1)N1CCCC1)N1CCS(=O)(=O)CC1 ZINC000095378014 257272013 /nfs/dbraw/zinc/27/20/13/257272013.db2.gz UYXJIYJYKRFEDO-AWEZNQCLSA-N 0 0 323.418 0.476 50 0 DCAARN C[C@@H](O)CNS(=O)(=O)CC1CN(C(=O)c2cccs2)C1 ZINC000521398257 257240087 /nfs/dbraw/zinc/24/00/87/257240087.db2.gz OEYNWXUZZAYVHP-SECBINFHSA-N 0 0 318.420 0.120 50 0 DCAARN Cc1n[nH]c(CCC(=O)N2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)c1C ZINC000426722336 257243734 /nfs/dbraw/zinc/24/37/34/257243734.db2.gz CGYAMUAPUJPULI-NEBZKDRISA-N 0 0 307.394 0.549 50 0 DCAARN Cc1cc(=O)cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N(C)C3=O)[nH]1 ZINC000426691372 257244145 /nfs/dbraw/zinc/24/41/45/257244145.db2.gz YIQRHVZMMYTTGM-NEPJUHHUSA-N 0 0 303.362 0.766 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCN(C(=O)C2Cc3ccccc3C2)C1 ZINC000426640359 257245434 /nfs/dbraw/zinc/24/54/34/257245434.db2.gz GGVZNVJJONFCBX-LLVKDONJSA-N 0 0 308.403 0.538 50 0 DCAARN COc1ncc(C(=O)N2CCN(C(=O)C3CCC3)CC2)cn1 ZINC000426493005 257248173 /nfs/dbraw/zinc/24/81/73/257248173.db2.gz SGSSRYZEFZNWNC-UHFFFAOYSA-N 0 0 304.350 0.570 50 0 DCAARN CN(CC[C@H](O)c1ccccc1)C(=O)CN1CCN(C)C1=O ZINC000426504599 257248264 /nfs/dbraw/zinc/24/82/64/257248264.db2.gz PCQLZNAEBVHKQX-AWEZNQCLSA-N 0 0 305.378 0.936 50 0 DCAARN O=C(NCCCn1ncc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000426414768 257251691 /nfs/dbraw/zinc/25/16/91/257251691.db2.gz UAWLZPJZPUEEHW-ZDUSSCGKSA-N 0 0 321.402 0.977 50 0 DCAARN Cc1cc(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)c(=O)n(C)c1C ZINC000426399466 257251958 /nfs/dbraw/zinc/25/19/58/257251958.db2.gz WFAOJNZPKUWLJY-KBPBESRZSA-N 0 0 308.378 0.612 50 0 DCAARN CC(C)n1cnnc1CCNC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000426389556 257252238 /nfs/dbraw/zinc/25/22/38/257252238.db2.gz ATKWKYJRQLSLDE-LLVKDONJSA-N 0 0 308.386 0.308 50 0 DCAARN COc1cc(CNC(=O)c2cc(C)n[nH]2)ccc1OCC(N)=O ZINC000071818890 184851195 /nfs/dbraw/zinc/85/11/95/184851195.db2.gz OHWDUNLSEOHNOJ-UHFFFAOYSA-N 0 0 318.333 0.521 50 0 DCAARN COC(=O)c1cccc(S(=O)(=O)N2CCCn3ncnc32)c1 ZINC000069655144 184832585 /nfs/dbraw/zinc/83/25/85/184832585.db2.gz IWXSJHPAKBKHQP-UHFFFAOYSA-N 0 0 322.346 0.664 50 0 DCAARN O=C1[C@@H](Nc2ccc3nnnn3n2)CCN1c1ccccc1F ZINC000071900452 184895611 /nfs/dbraw/zinc/89/56/11/184895611.db2.gz DXCAZFWVNMHYKB-JTQLQIEISA-N 0 0 313.296 0.876 50 0 DCAARN Cc1cc2n(n1)CCCN(C(=O)[C@H]1NCCc3nc[nH]c31)C2 ZINC000072425388 292022096 /nfs/dbraw/zinc/02/20/96/292022096.db2.gz LGSRFMVSVKAYBQ-AWEZNQCLSA-N 0 0 300.366 0.534 50 0 DCAARN COc1ccnc(N2CCN(C(=O)c3cncnc3C)CC2)n1 ZINC000065623695 134829162 /nfs/dbraw/zinc/82/91/62/134829162.db2.gz IUGMRGBGTPZEAX-UHFFFAOYSA-N 0 0 314.349 0.546 50 0 DCAARN COCCNC(=O)[C@@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 ZINC000008267058 395684340 /nfs/dbraw/zinc/68/43/40/395684340.db2.gz UQASLCIYUYBBRO-LLVKDONJSA-N 0 0 322.361 0.819 50 0 DCAARN COc1ccc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)cn1 ZINC000008515965 395684605 /nfs/dbraw/zinc/68/46/05/395684605.db2.gz AIMZNCWKVXLCMW-LLVKDONJSA-N 0 0 321.333 0.113 50 0 DCAARN COc1ccc(CNS(=O)(=O)c2cnc(N)nc2)c(OC)c1 ZINC000008600434 395684800 /nfs/dbraw/zinc/68/48/00/395684800.db2.gz NCKWWWVICXJSGI-UHFFFAOYSA-N 0 0 324.362 0.555 50 0 DCAARN O=C(c1ccccc1)N1CCN(c2ccc3nnnn3n2)CC1 ZINC000008855923 395685092 /nfs/dbraw/zinc/68/50/92/395685092.db2.gz OZETUVNZZYCHJV-UHFFFAOYSA-N 0 0 309.333 0.482 50 0 DCAARN CCOC(=O)CSc1nnc(-c2ccncc2)n1CCO ZINC000009053601 395685122 /nfs/dbraw/zinc/68/51/22/395685122.db2.gz NAJHIEQLYWNOMX-UHFFFAOYSA-N 0 0 308.363 0.988 50 0 DCAARN Cn1nc(C(=O)NC[C@H]2COc3ccccc3O2)ccc1=O ZINC000009452692 395685341 /nfs/dbraw/zinc/68/53/41/395685341.db2.gz LFQBBIRJLWSWMS-JTQLQIEISA-N 0 0 301.302 0.350 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)NCCCn1ccnc1 ZINC000009466893 395685440 /nfs/dbraw/zinc/68/54/40/395685440.db2.gz VDCHSRISRGVTMP-UHFFFAOYSA-N 0 0 300.318 0.998 50 0 DCAARN CN(C)S(=O)(=O)N1CCC(C(=O)Nc2cccnc2)CC1 ZINC000010113895 395685945 /nfs/dbraw/zinc/68/59/45/395685945.db2.gz ACRKRNVDVARFRI-UHFFFAOYSA-N 0 0 312.395 0.539 50 0 DCAARN COc1ccc(N([C@H](C)C(N)=O)S(C)(=O)=O)cc1Cl ZINC000010338119 395686089 /nfs/dbraw/zinc/68/60/89/395686089.db2.gz VZEQAVLVFNPUKI-SSDOTTSWSA-N 0 0 306.771 0.988 50 0 DCAARN CC(=O)N1CCCN(CC(=O)NCc2ccccc2F)CC1 ZINC000011419762 395686552 /nfs/dbraw/zinc/68/65/52/395686552.db2.gz OUFYPBKOVHPBLY-UHFFFAOYSA-N 0 0 307.369 0.996 50 0 DCAARN O=C(NCCn1ncccc1=O)c1cc2ccccc2oc1=O ZINC000011856219 395686803 /nfs/dbraw/zinc/68/68/03/395686803.db2.gz GOPZRZPFOSTRRB-UHFFFAOYSA-N 0 0 311.297 0.780 50 0 DCAARN CCOC(=O)C1CCN(c2nc3nonc3nc2N(C)C)CC1 ZINC000012112265 395687149 /nfs/dbraw/zinc/68/71/49/395687149.db2.gz TXHJURPNQRRNKV-UHFFFAOYSA-N 0 0 320.353 0.858 50 0 DCAARN Cc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1CCO ZINC000012324351 395687434 /nfs/dbraw/zinc/68/74/34/395687434.db2.gz PWMCJSHDJNNGNP-UHFFFAOYSA-N 0 0 314.389 0.940 50 0 DCAARN Cn1nnc2c1ncn(CC(=O)N1CCc3ccccc31)c2=O ZINC000012443914 395687574 /nfs/dbraw/zinc/68/75/74/395687574.db2.gz ZCJFGCRMSFCJID-UHFFFAOYSA-N 0 0 310.317 0.114 50 0 DCAARN COc1c2c(cc(C[C@H]3CC(C(N)=O)=NO3)c1OC)OCO2 ZINC000012418013 395687613 /nfs/dbraw/zinc/68/76/13/395687613.db2.gz LFOAHYTVPLBBMB-QMMMGPOBSA-N 0 0 308.290 0.605 50 0 DCAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)NC1=NCCS1 ZINC000012567834 395687936 /nfs/dbraw/zinc/68/79/36/395687936.db2.gz DFDDSFCBYRTTBC-UHFFFAOYSA-N 0 0 307.331 0.364 50 0 DCAARN O=C(NCCNS(=O)(=O)c1ccccc1)c1ccccn1 ZINC000012650532 395687954 /nfs/dbraw/zinc/68/79/54/395687954.db2.gz OIBBLFVHRRRVOJ-UHFFFAOYSA-N 0 0 305.359 0.790 50 0 DCAARN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NC1CC1 ZINC000012844103 395687956 /nfs/dbraw/zinc/68/79/56/395687956.db2.gz HSBYQNBKDBJMOU-UHFFFAOYSA-N 0 0 316.354 0.733 50 0 DCAARN COc1ccc(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 ZINC000012854901 395687961 /nfs/dbraw/zinc/68/79/61/395687961.db2.gz UZFGVSZOLQAQQO-ZDUSSCGKSA-N 0 0 312.391 0.735 50 0 DCAARN Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)N3CCCC3)nn21 ZINC000012857584 395688028 /nfs/dbraw/zinc/68/80/28/395688028.db2.gz GENHTSIIPPOOFF-SNVBAGLBSA-N 0 0 303.322 0.600 50 0 DCAARN O=c1n2ccccc2nn1CN1CCN(c2ccccn2)CC1 ZINC000012869933 395688130 /nfs/dbraw/zinc/68/81/30/395688130.db2.gz QOJGFRXOKKALON-UHFFFAOYSA-N 0 0 310.361 0.671 50 0 DCAARN CN1C(=O)N(CC(=O)N2CCN(C)CC2)C(=O)C12CCCCC2 ZINC000012932695 395688160 /nfs/dbraw/zinc/68/81/60/395688160.db2.gz TUASMSGWNLKPTR-UHFFFAOYSA-N 0 0 322.409 0.357 50 0 DCAARN COCCNS(=O)(=O)CCn1ccc2ccccc2c1=O ZINC000012943277 395688247 /nfs/dbraw/zinc/68/82/47/395688247.db2.gz TVAYLHCBNBCERU-UHFFFAOYSA-N 0 0 310.375 0.567 50 0 DCAARN COCCNC(=O)NC(=O)CN1CCC[C@H]1c1cc(C)on1 ZINC000012988711 395688324 /nfs/dbraw/zinc/68/83/24/395688324.db2.gz IJJOXLPJERFALP-LBPRGKRZSA-N 0 0 310.354 0.592 50 0 DCAARN COc1ccc(CNC(=O)C(=O)NCCCn2ccnc2)cc1 ZINC000013153184 395688365 /nfs/dbraw/zinc/68/83/65/395688365.db2.gz MXWDCCUDPYGWTI-UHFFFAOYSA-N 0 0 316.361 0.714 50 0 DCAARN Cc1cc(NC(=O)CSc2nnnn2C[C@@H]2CCCO2)no1 ZINC000014084671 395689043 /nfs/dbraw/zinc/68/90/43/395689043.db2.gz ASGLZZUCIZELBW-VIFPVBQESA-N 0 0 324.366 0.879 50 0 DCAARN C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(F)ccc3F)CN2C1=O ZINC000014742604 395689646 /nfs/dbraw/zinc/68/96/46/395689646.db2.gz UAPIQSHQNVFODP-DXBFQKDVSA-N 0 0 323.299 0.182 50 0 DCAARN C[C@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)NCCO)cn1c32 ZINC000019909940 395691117 /nfs/dbraw/zinc/69/11/17/395691117.db2.gz CJMDZRSSAFNUCA-ZETCQYMHSA-N 0 0 324.283 0.955 50 0 DCAARN Cc1nnc2c(N3CCN(CCO)CC3)nc3ccccc3n12 ZINC000020058761 395691137 /nfs/dbraw/zinc/69/11/37/395691137.db2.gz RTNNSJVHYJTFKT-UHFFFAOYSA-N 0 0 312.377 0.700 50 0 DCAARN Nc1nnc(CC(=O)N2CCN(c3ccccn3)CC2)s1 ZINC000020540394 395691353 /nfs/dbraw/zinc/69/13/53/395691353.db2.gz JGSZEECHSRUMHQ-UHFFFAOYSA-N 0 0 304.379 0.407 50 0 DCAARN C[C@H](Sc1nnnn1C)C(=O)NC(=O)NCC(F)(F)F ZINC000025401101 395693484 /nfs/dbraw/zinc/69/34/84/395693484.db2.gz OLFKFQRSLAOZAX-BYPYZUCNSA-N 0 0 312.277 0.079 50 0 DCAARN Nc1nonc1-n1nnc(C(=O)[O-])c1C[NH+]1CCCCCC1 ZINC000000093977 395679821 /nfs/dbraw/zinc/67/98/21/395679821.db2.gz IWUZTHHACDFAMC-UHFFFAOYSA-N 0 0 307.314 0.307 50 0 DCAARN COc1ccc(OC[C@@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000000182409 395679926 /nfs/dbraw/zinc/67/99/26/395679926.db2.gz GYBGXDCJFVAGSI-JTQLQIEISA-N 0 0 308.334 0.970 50 0 DCAARN CCOC(=O)Cn1c(=O)c2cnc3c(c(C)nn3C)c2n1C ZINC000000170722 395680008 /nfs/dbraw/zinc/68/00/08/395680008.db2.gz NHAOONGKEOREHP-UHFFFAOYSA-N 0 0 303.322 0.493 50 0 DCAARN COc1ccc(OC)c(NC(=O)CN2CCC(C(N)=O)CC2)c1 ZINC000000307079 395680146 /nfs/dbraw/zinc/68/01/46/395680146.db2.gz POOGWUNWZKKKAP-UHFFFAOYSA-N 0 0 321.377 0.840 50 0 DCAARN O=C(Cn1nnc(-c2ccc(F)cc2)n1)NC[C@H]1CCCO1 ZINC000000413473 395680361 /nfs/dbraw/zinc/68/03/61/395680361.db2.gz JIALPZVWFQOFOR-GFCCVEGCSA-N 0 0 305.313 0.774 50 0 DCAARN O=C(CSc1nncn1-c1cccnc1)N1CCOCC1 ZINC000000420894 395680484 /nfs/dbraw/zinc/68/04/84/395680484.db2.gz PCIAUFUFECNJKC-UHFFFAOYSA-N 0 0 305.363 0.613 50 0 DCAARN CCOC(=O)c1ncn2c1nnc(C(=O)NC1CCCC1)c2N ZINC000001414348 395680784 /nfs/dbraw/zinc/68/07/84/395680784.db2.gz NNSBGEMXBOJQCO-UHFFFAOYSA-N 0 0 318.337 0.556 50 0 DCAARN COc1ccc(NC(=O)CN2C(=O)CSCC2=O)c(OC)c1 ZINC000002710699 395681797 /nfs/dbraw/zinc/68/17/97/395681797.db2.gz ODIGITTZBDODEG-UHFFFAOYSA-N 0 0 324.358 0.744 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(=O)c2ccccc2o1 ZINC000003196152 395682323 /nfs/dbraw/zinc/68/23/23/395682323.db2.gz BXGUJOOGDHGOSI-SECBINFHSA-N 0 0 307.327 0.710 50 0 DCAARN COC(=O)[C@@H](CC(C)C)NC(=O)CSc1nc(N)n[nH]1 ZINC000007897262 395683654 /nfs/dbraw/zinc/68/36/54/395683654.db2.gz HLBOGJXSRPHSDR-SSDOTTSWSA-N 0 0 301.372 0.183 50 0 DCAARN COc1ccc(C(N)=O)c(OCC(=O)NCC(F)(F)F)c1 ZINC000008131896 395684039 /nfs/dbraw/zinc/68/40/39/395684039.db2.gz SIFHQWGYZXVKIC-UHFFFAOYSA-N 0 0 306.240 0.851 50 0 DCAARN CNS(=O)(=O)c1cc(NC(=O)C2=COCCO2)ccc1C ZINC000008133051 395684087 /nfs/dbraw/zinc/68/40/87/395684087.db2.gz UDUZYRDCJATEAH-UHFFFAOYSA-N 0 0 312.347 0.730 50 0 DCAARN CCOCC(=O)NC[C@H](Cc1cccc(F)c1)N1CCNC1=O ZINC000085467658 395700854 /nfs/dbraw/zinc/70/08/54/395700854.db2.gz GRZSKNKWIFWAKW-AWEZNQCLSA-N 0 0 323.368 0.915 50 0 DCAARN Cn1nc(N2CCC(C(=O)Nc3ccon3)CC2)ccc1=O ZINC000085470927 395701345 /nfs/dbraw/zinc/70/13/45/395701345.db2.gz SHOMYLCJXLSYDI-UHFFFAOYSA-N 0 0 303.322 0.623 50 0 DCAARN CC[C@@H]1CCCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000030144087 395702095 /nfs/dbraw/zinc/70/20/95/395702095.db2.gz WDXLMZPGTSUMLI-SNVBAGLBSA-N 0 0 320.393 0.758 50 0 DCAARN Cc1c2c(=O)[nH]n(C)c2[nH]c(=O)c1CCC(=O)N[C@@H](C)C1CC1 ZINC000030598683 395703281 /nfs/dbraw/zinc/70/32/81/395703281.db2.gz JYAYSMHRLHCVRA-VIFPVBQESA-N 0 0 318.377 0.711 50 0 DCAARN COc1ccc(OC)c([C@@H](O)CNC(=O)c2ccc[nH]c2=O)c1 ZINC000031333423 395706124 /nfs/dbraw/zinc/70/61/24/395706124.db2.gz IPHJWKTUZFLENY-ZDUSSCGKSA-N 0 0 318.329 0.856 50 0 DCAARN COc1ccc(CCC(=O)N2CCN(CCO)CC2)cc1OC ZINC000031946029 395708865 /nfs/dbraw/zinc/70/88/65/395708865.db2.gz SALDXDWLAFWNPV-UHFFFAOYSA-N 0 0 322.405 0.773 50 0 DCAARN CC(=O)N(C)CC(=O)NCc1cccnc1N1CCOCC1 ZINC000032355239 395710447 /nfs/dbraw/zinc/71/04/47/395710447.db2.gz FAOLDDHCUQAXMM-UHFFFAOYSA-N 0 0 306.366 0.013 50 0 DCAARN COC[C@@H](NC(=O)c1ccc(-n2cccn2)c(F)c1)C(N)=O ZINC000089375163 395710541 /nfs/dbraw/zinc/71/05/41/395710541.db2.gz ZIAXGYUCVWHVDM-LLVKDONJSA-N 0 0 306.297 0.242 50 0 DCAARN C[C@H]1C[C@H]1CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000032384707 395710809 /nfs/dbraw/zinc/71/08/09/395710809.db2.gz RHAZONHAUMRLMD-BQBZGAKWSA-N 0 0 316.155 0.071 50 0 DCAARN CC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccn(C)c2)CC1 ZINC000032753559 395712737 /nfs/dbraw/zinc/71/27/37/395712737.db2.gz XEKQMAWOABBWJL-GFCCVEGCSA-N 0 0 313.423 0.904 50 0 DCAARN Cc1ccc(C(=O)N2CCN([C@H]3CCNC3=O)CC2)cc1F ZINC000089643372 395713924 /nfs/dbraw/zinc/71/39/24/395713924.db2.gz NFKNHUXNBRFMKZ-AWEZNQCLSA-N 0 0 305.353 0.780 50 0 DCAARN Cn1nnnc1-c1cccc(NC(=O)Cn2ccccc2=O)c1 ZINC000032883010 395714070 /nfs/dbraw/zinc/71/40/70/395714070.db2.gz VKDJJARHLGWWQC-UHFFFAOYSA-N 0 0 310.317 0.678 50 0 DCAARN CCN(CC(=O)NC)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000032924621 395714615 /nfs/dbraw/zinc/71/46/15/395714615.db2.gz WUWZXRJVXJSTID-UHFFFAOYSA-N 0 0 310.350 0.921 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)Sc1nnc2cc(C)nc(C)n21 ZINC000032922571 395714665 /nfs/dbraw/zinc/71/46/65/395714665.db2.gz SQBRFCJZHUWJMS-SSDOTTSWSA-N 0 0 308.367 0.677 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)Sc1nnc2cc(C)nc(C)n21 ZINC000032922573 395714765 /nfs/dbraw/zinc/71/47/65/395714765.db2.gz SQBRFCJZHUWJMS-ZETCQYMHSA-N 0 0 308.367 0.677 50 0 DCAARN CC(C)[C@@H](NC(N)=O)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000032999650 395715708 /nfs/dbraw/zinc/71/57/08/395715708.db2.gz KNOOGQUYRUVLAV-CQSZACIVSA-N 0 0 321.377 0.809 50 0 DCAARN C[C@@H](CC(=O)N[C@H]1CCC(=O)N(C)C1)NC(=O)C1CCCC1 ZINC000089894530 395715773 /nfs/dbraw/zinc/71/57/73/395715773.db2.gz PBMJMJALTOEGDK-AAEUAGOBSA-N 0 0 309.410 0.808 50 0 DCAARN C[C@]1(C(=O)N2CCO[C@@H](C(N)=O)C2)CCCc2ccccc21 ZINC000089919406 395716604 /nfs/dbraw/zinc/71/66/04/395716604.db2.gz FDAWSYHWLUKXGS-PBHICJAKSA-N 0 0 302.374 0.993 50 0 DCAARN CNC(=O)c1cccc(S(=O)(=O)N2CCSCC2)c1 ZINC000033359667 395716876 /nfs/dbraw/zinc/71/68/76/395716876.db2.gz RQNAVLGAVMYVDH-UHFFFAOYSA-N 0 0 300.405 0.784 50 0 DCAARN C[C@@H]1CN(C)CCN1C(=O)Cn1[nH]c(=O)c2ccccc2c1=O ZINC000089938101 395716983 /nfs/dbraw/zinc/71/69/83/395716983.db2.gz ICSHNYNSXRCEFJ-LLVKDONJSA-N 0 0 316.361 0.265 50 0 DCAARN C[C@H]1CN(C)CCN1C(=O)c1csc(S(N)(=O)=O)c1 ZINC000089938416 395717307 /nfs/dbraw/zinc/71/73/07/395717307.db2.gz PQYLAJGDVCRIRM-QMMMGPOBSA-N 0 0 303.409 0.172 50 0 DCAARN NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000035099278 395718570 /nfs/dbraw/zinc/71/85/70/395718570.db2.gz XTGUMCMUAKSVEU-UHFFFAOYSA-N 0 0 303.771 0.621 50 0 DCAARN O=C(Cc1ccc(O)cc1)NN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000035419389 395720751 /nfs/dbraw/zinc/72/07/51/395720751.db2.gz OVNQGHOEKPMISG-STQMWFEESA-N 0 0 300.314 0.917 50 0 DCAARN CC[C@H](C)NC(=O)c1cc(C)nc2c1c(=O)n(C)c(=O)n2C ZINC000035505506 395720845 /nfs/dbraw/zinc/72/08/45/395720845.db2.gz MKGLHIPURREDGR-QMMMGPOBSA-N 0 0 304.350 0.469 50 0 DCAARN O=c1cccnn1CCNS(=O)(=O)/C=C\c1ccccc1 ZINC000035595086 395720900 /nfs/dbraw/zinc/72/09/00/395720900.db2.gz OATJBYAWWWSNPH-WQLSENKSSA-N 0 0 305.359 0.834 50 0 DCAARN O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)NC1CCCC1 ZINC000035802382 395721832 /nfs/dbraw/zinc/72/18/32/395721832.db2.gz ISFYZNFODULTSM-AWEZNQCLSA-N 0 0 309.410 0.368 50 0 DCAARN Cc1cccc(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)n1 ZINC000027267200 395694782 /nfs/dbraw/zinc/69/47/82/395694782.db2.gz QFOCDCNEAKYQAY-UHFFFAOYSA-N 0 0 311.345 0.974 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)cc1 ZINC000028058245 395695706 /nfs/dbraw/zinc/69/57/06/395695706.db2.gz BXWODIQGKAEIJW-QWRGUYRKSA-N 0 0 312.391 0.844 50 0 DCAARN CNC(=O)NC(=O)CN1CCC[C@H]1C(=O)Nc1ccccc1 ZINC000028074759 395695806 /nfs/dbraw/zinc/69/58/06/395695806.db2.gz IXFPVDAMMNALKZ-LBPRGKRZSA-N 0 0 304.350 0.545 50 0 DCAARN FC(F)(F)c1nnc2ccc(NCCN3CCOCC3)nn21 ZINC000028707480 395696273 /nfs/dbraw/zinc/69/62/73/395696273.db2.gz CJDGKTNOGVMFJA-UHFFFAOYSA-N 0 0 316.287 0.887 50 0 DCAARN O=C(Cc1cccc(C(F)(F)F)c1)NN1CC(=O)NC1=O ZINC000029018620 395696672 /nfs/dbraw/zinc/69/66/72/395696672.db2.gz LPBNIKVZGMMEIG-UHFFFAOYSA-N 0 0 301.224 0.831 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000029201450 395697119 /nfs/dbraw/zinc/69/71/19/395697119.db2.gz DAZAXQHFINJUNW-SNVBAGLBSA-N 0 0 312.395 0.441 50 0 DCAARN CCCc1nnc([C@@H]2CN(Cc3nnnn3C3CC3)CCO2)[nH]1 ZINC000084759017 395698807 /nfs/dbraw/zinc/69/88/07/395698807.db2.gz IBMHEWLVDMPZFY-NSHDSACASA-N 0 0 318.385 0.652 50 0 DCAARN COCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(C)cc1 ZINC000096181493 395747160 /nfs/dbraw/zinc/74/71/60/395747160.db2.gz HGYPQANGMMRGMJ-HUUCEWRRSA-N 0 0 306.362 0.656 50 0 DCAARN Cn1nnnc1COc1ccccc1C(=O)N1CCN(C)CC1 ZINC000096101381 395744467 /nfs/dbraw/zinc/74/44/67/395744467.db2.gz AVGRWTMGVJBGJY-UHFFFAOYSA-N 0 0 316.365 0.177 50 0 DCAARN COCCC(=O)N1CCc2c(c(-c3nc(C)no3)nn2C)C1 ZINC000096124761 395745658 /nfs/dbraw/zinc/74/56/58/395745658.db2.gz VECJXSKLHMXCES-UHFFFAOYSA-N 0 0 305.338 0.700 50 0 DCAARN CN(C)C(=O)N1C[C@@H]2C[N@H+](Cc3cncs3)C[C@]2(C(=O)[O-])C1 ZINC000096136383 395745685 /nfs/dbraw/zinc/74/56/85/395745685.db2.gz JKZDXHOHGIVDQE-HZMBPMFUSA-N 0 0 324.406 0.643 50 0 DCAARN c1cnc(N2CCN(Cc3nc([C@H]4CCOC4)no3)CC2)nc1 ZINC000096132408 395745774 /nfs/dbraw/zinc/74/57/74/395745774.db2.gz BHZJUECECMNACV-LBPRGKRZSA-N 0 0 316.365 0.686 50 0 DCAARN CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(N)=O ZINC000096319135 395752371 /nfs/dbraw/zinc/75/23/71/395752371.db2.gz VDCZEFZKFQWHLK-CYBMUJFWSA-N 0 0 307.350 0.539 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000096315660 395752423 /nfs/dbraw/zinc/75/24/23/395752423.db2.gz VRZUIHWWYRLUNT-YFHOEESVSA-N 0 0 312.391 0.729 50 0 DCAARN NC(=O)C1(CNS(=O)(=O)/C=C\c2ccccc2)CCOCC1 ZINC000096297997 395752509 /nfs/dbraw/zinc/75/25/09/395752509.db2.gz APMDWORBPVPMRP-WDZFZDKYSA-N 0 0 324.402 0.859 50 0 DCAARN CC1=CC(=C2C(=O)N(C)C(=O)N(C)C2=O)C=C(C)N1CCO ZINC000096346816 395752807 /nfs/dbraw/zinc/75/28/07/395752807.db2.gz WPLOHNGPMQRYHD-UHFFFAOYSA-N 0 0 305.334 0.449 50 0 DCAARN CO[C@H](CNC(=O)CN1C(=O)CCC1=O)c1cccc(F)c1 ZINC000096388010 395752814 /nfs/dbraw/zinc/75/28/14/395752814.db2.gz AEHKEIAXNGIEAC-GFCCVEGCSA-N 0 0 308.309 0.778 50 0 DCAARN NC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc(F)c1F ZINC000096428528 395753532 /nfs/dbraw/zinc/75/35/32/395753532.db2.gz QCKFYONHOTZIEV-VXNVDRBHSA-N 0 0 304.318 0.897 50 0 DCAARN COCc1nc(C(=O)N2CCN(c3nccn3C)CC2)cs1 ZINC000096426904 395753539 /nfs/dbraw/zinc/75/35/39/395753539.db2.gz FZWGBXYVDCHPMC-UHFFFAOYSA-N 0 0 321.406 0.985 50 0 DCAARN CNC(=O)NCC(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000096492205 395754212 /nfs/dbraw/zinc/75/42/12/395754212.db2.gz VRBLONJDIGDRTI-GFCCVEGCSA-N 0 0 322.384 0.960 50 0 DCAARN Cn1c2[nH]c(SCCCn3ccnc3)nc2c(=O)n(C)c1=O ZINC000097102223 395754926 /nfs/dbraw/zinc/75/49/26/395754926.db2.gz SZSOTRYZSWHPLK-UHFFFAOYSA-N 0 0 320.378 0.339 50 0 DCAARN O=C(NCC1CCN(c2ccccn2)CC1)C(=O)NC1CC1 ZINC000043941330 395755184 /nfs/dbraw/zinc/75/51/84/395755184.db2.gz LRICHRKJTPFUQN-UHFFFAOYSA-N 0 0 302.378 0.693 50 0 DCAARN Cc1cc(C)n(CCC(=O)N[C@H]2CCc3nnc(C)n3C2)n1 ZINC000097198996 395755635 /nfs/dbraw/zinc/75/56/35/395755635.db2.gz PEVBQBQEDNBVGF-ZDUSSCGKSA-N 0 0 302.382 0.921 50 0 DCAARN NC(=O)[C@@H](Nc1ncnc2c1cnn2CCO)c1ccccc1 ZINC000097200240 395755647 /nfs/dbraw/zinc/75/56/47/395755647.db2.gz AYRDHVNHULGLNU-LBPRGKRZSA-N 0 0 312.333 0.457 50 0 DCAARN Cc1cn2c(n1)CC[C@H](NC(=O)c1cnc3ccccn3c1=O)C2 ZINC000097198543 395755709 /nfs/dbraw/zinc/75/57/09/395755709.db2.gz PYBRQROJWKHZCX-LBPRGKRZSA-N 0 0 323.356 0.944 50 0 DCAARN CCc1nnc2n1C[C@@H](NC(=O)CCOC[C@@H]1CCCO1)CC2 ZINC000097198676 395755760 /nfs/dbraw/zinc/75/57/60/395755760.db2.gz MMTVTTAMLDRLHA-STQMWFEESA-N 0 0 322.409 0.857 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2c(s1)CCC2 ZINC000044357121 395756309 /nfs/dbraw/zinc/75/63/09/395756309.db2.gz NXQIFXLIRRRWPK-SECBINFHSA-N 0 0 315.420 0.994 50 0 DCAARN Nc1nc(CCC(=O)NCCNC(=O)c2cccnc2)cs1 ZINC000097294859 395756862 /nfs/dbraw/zinc/75/68/62/395756862.db2.gz BTTLZBRZFYGSSE-UHFFFAOYSA-N 0 0 319.390 0.599 50 0 DCAARN O=C([O-])[C@H]1C[NH2+]CCN(CC(=O)N2CCc3ccccc32)C1 ZINC000097360205 395756972 /nfs/dbraw/zinc/75/69/72/395756972.db2.gz RIFWFXPRMFRWNN-ZDUSSCGKSA-N 0 0 303.362 0.182 50 0 DCAARN Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCOCC2)o1 ZINC000097436861 395757322 /nfs/dbraw/zinc/75/73/22/395757322.db2.gz MXZNBRFDGDOSGV-CQSZACIVSA-N 0 0 321.377 0.137 50 0 DCAARN CN1CCN(C(=O)CCNC(=O)NCc2cccs2)CC1 ZINC000042838344 395749218 /nfs/dbraw/zinc/74/92/18/395749218.db2.gz HKCGGZIDTAYFPO-UHFFFAOYSA-N 0 0 310.423 0.711 50 0 DCAARN O=C(NCCn1cnc2ccccc21)c1ccn2nnnc2c1 ZINC000096230995 395750941 /nfs/dbraw/zinc/75/09/41/395750941.db2.gz YFHNWHPBIKXZDC-UHFFFAOYSA-N 0 0 307.317 0.904 50 0 DCAARN Cc1cc(C)n2nc(CC(=O)N3C[C@@H](C)O[C@H](C)C3)nc2n1 ZINC000046894679 395781802 /nfs/dbraw/zinc/78/18/02/395781802.db2.gz ZIXOTNFUCTZTDK-VXGBXAGGSA-N 0 0 303.366 0.919 50 0 DCAARN CCc1nn(C)c(OC)c1CNC(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000193924037 395782823 /nfs/dbraw/zinc/78/28/23/395782823.db2.gz NWYAMNHVXPUSSM-SKDRFNHKSA-N 0 0 323.397 0.315 50 0 DCAARN CN(C)c1cc(C(=O)N2CCN(c3cnccn3)CC2)ccn1 ZINC000047073539 395786765 /nfs/dbraw/zinc/78/67/65/395786765.db2.gz JNRVSXWDWQWKIM-UHFFFAOYSA-N 0 0 312.377 0.900 50 0 DCAARN O=C(c1nc[nH]n1)N1CCN(Cc2cc(C3CC3)n[nH]2)CC1 ZINC000097529026 395758791 /nfs/dbraw/zinc/75/87/91/395758791.db2.gz FKMHHVXQPUUNIW-UHFFFAOYSA-N 0 0 301.354 0.363 50 0 DCAARN O=C(NCCN1CCc2ccccc21)c1ccn2nnnc2c1 ZINC000097594921 395759270 /nfs/dbraw/zinc/75/92/70/395759270.db2.gz XBOPZMLDEJYHRV-UHFFFAOYSA-N 0 0 308.345 0.917 50 0 DCAARN O=C(CCc1cn2ccccc2n1)N[C@H]1C=CS(=O)(=O)C1 ZINC000097776187 395760842 /nfs/dbraw/zinc/76/08/42/395760842.db2.gz ONBYLMVEBXBKQT-LBPRGKRZSA-N 0 0 305.359 0.694 50 0 DCAARN Cn1c2[nH]c(=S)n(CCc3ccccc3)c2c(=O)[nH]c1=O ZINC000100761779 395763689 /nfs/dbraw/zinc/76/36/89/395763689.db2.gz MTXORGOAPWHNPD-UHFFFAOYSA-N 0 0 302.359 0.955 50 0 DCAARN CS(=O)(=O)NCCNC(=O)NCCc1c[nH]c2ccccc12 ZINC000045652482 395764750 /nfs/dbraw/zinc/76/47/50/395764750.db2.gz DBKHYTPPPDTXFK-UHFFFAOYSA-N 0 0 324.406 0.559 50 0 DCAARN O=C(Cn1nnc(-c2ccccc2)n1)N[C@H]1CCCCNC1=O ZINC000045912200 395768231 /nfs/dbraw/zinc/76/82/31/395768231.db2.gz MVJJTHSTLUFLKX-LBPRGKRZSA-N 0 0 314.349 0.125 50 0 DCAARN CNC(=O)NC(=O)CSc1nc(C)c(C)n1CCOC ZINC000048411576 395814829 /nfs/dbraw/zinc/81/48/29/395814829.db2.gz ZGGIWNAYVYPUAL-UHFFFAOYSA-N 0 0 300.384 0.694 50 0 DCAARN COCC(=O)N1CCN(C(=O)CCc2c(C)nn(C)c2C)CC1 ZINC000049245317 395829704 /nfs/dbraw/zinc/82/97/04/395829704.db2.gz WXSIBPKEXYARPO-UHFFFAOYSA-N 0 0 322.409 0.287 50 0 DCAARN CN(C)c1ccc(O[C@@H]2CCN(C(=O)c3cnccn3)C2)nn1 ZINC000225446086 395859764 /nfs/dbraw/zinc/85/97/64/395859764.db2.gz PISBLOHVVIMDBN-LLVKDONJSA-N 0 0 314.349 0.626 50 0 DCAARN Cc1nc(CO[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)cs1 ZINC000225416305 395859834 /nfs/dbraw/zinc/85/98/34/395859834.db2.gz ZWVJVZFHYCDAAK-VXGBXAGGSA-N 0 0 309.391 0.848 50 0 DCAARN CSc1ccccc1CN1CCN(S(N)(=O)=O)CC1 ZINC000214960085 395836595 /nfs/dbraw/zinc/83/65/95/395836595.db2.gz DIPBSMOBPBLPDR-UHFFFAOYSA-N 0 0 301.437 0.730 50 0 DCAARN NC(=O)C1CCN(C(=O)NCc2cccc3c2OCO3)CC1 ZINC000050127220 395836960 /nfs/dbraw/zinc/83/69/60/395836960.db2.gz UPJJRGCNCHPZJH-UHFFFAOYSA-N 0 0 305.334 0.822 50 0 DCAARN COC(=O)c1cccc(NCC(=O)NCC(=O)N2CCCC2)c1 ZINC000050782883 395840532 /nfs/dbraw/zinc/84/05/32/395840532.db2.gz VVNCIBGCDHBYLJ-UHFFFAOYSA-N 0 0 319.361 0.624 50 0 DCAARN CCn1cnnc1CCNC(=O)c1cc2c([nH]c1=O)CCC2 ZINC000219290904 395844773 /nfs/dbraw/zinc/84/47/73/395844773.db2.gz MKFRGBHJVMSZKP-UHFFFAOYSA-N 0 0 301.350 0.448 50 0 DCAARN Cc1cc(C)n(C2CN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)n1 ZINC000219451086 395845667 /nfs/dbraw/zinc/84/56/67/395845667.db2.gz SOIZGYAYMHCWKS-UHFFFAOYSA-N 0 0 315.377 0.826 50 0 DCAARN CC(=O)NCC(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000220754698 395849683 /nfs/dbraw/zinc/84/96/83/395849683.db2.gz LFKHPMDJIUOQRQ-NSHDSACASA-N 0 0 306.366 0.864 50 0 DCAARN Cc1nonc1OCCNC(=O)Cn1ncc2ccccc21 ZINC000221288976 395850599 /nfs/dbraw/zinc/85/05/99/395850599.db2.gz DDQKJKONYFISFP-UHFFFAOYSA-N 0 0 301.306 0.923 50 0 DCAARN Cn1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c(=O)[nH]c1=O ZINC000221222265 395850748 /nfs/dbraw/zinc/85/07/48/395850748.db2.gz NEDSRDKTXBFTFD-ZDUSSCGKSA-N 0 0 315.329 0.287 50 0 DCAARN Cc1nnc([C@H]2CCCN2C(=O)Cn2c(C)cc(C)nc2=O)[nH]1 ZINC000222961726 395853522 /nfs/dbraw/zinc/85/35/22/395853522.db2.gz DLDCDOXXDIYZHQ-GFCCVEGCSA-N 0 0 316.365 0.650 50 0 DCAARN COC[C@@H]1[C@H](NC(=O)c2cnc(C3CC3)[nH]c2=O)[C@@H]2CCO[C@H]12 ZINC000223070471 395854252 /nfs/dbraw/zinc/85/42/52/395854252.db2.gz PMHRYNSFJGUUOM-SQNXGDPESA-N 0 0 319.361 0.427 50 0 DCAARN Cc1cc(N)n(CC(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)n1 ZINC000223242867 395854434 /nfs/dbraw/zinc/85/44/34/395854434.db2.gz HDUYNUKWPNPFHI-BFQNTYOBSA-N 0 0 315.377 0.797 50 0 DCAARN CC[C@H](C(N)=O)N(C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000225520461 395861375 /nfs/dbraw/zinc/86/13/75/395861375.db2.gz XCNXFQIXDSCBEA-SECBINFHSA-N 0 0 313.427 0.871 50 0 DCAARN C[C@H]1CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@H](C)O1 ZINC000047439504 395792205 /nfs/dbraw/zinc/79/22/05/395792205.db2.gz RINKELBNALVDDC-RYUDHWBXSA-N 0 0 301.350 0.841 50 0 DCAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)CC(N)=O ZINC000047628850 395797741 /nfs/dbraw/zinc/79/77/41/395797741.db2.gz GHKVLQYDODKKHF-UHFFFAOYSA-N 0 0 315.377 0.845 50 0 DCAARN CCS(=O)(=O)N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC000047667513 395799321 /nfs/dbraw/zinc/79/93/21/395799321.db2.gz LJLYSGHXHXFWTO-UHFFFAOYSA-N 0 0 301.368 0.527 50 0 DCAARN CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(F)cn2)C1 ZINC000122997346 395890973 /nfs/dbraw/zinc/89/09/73/395890973.db2.gz PHGRWVBCUZDGQH-JTQLQIEISA-N 0 0 316.358 0.766 50 0 DCAARN COc1ccccc1OCC(=O)NCc1nnc2n1CCC2 ZINC000054904186 395908206 /nfs/dbraw/zinc/90/82/06/395908206.db2.gz IQPHZFRFRHCRMH-UHFFFAOYSA-N 0 0 302.334 0.928 50 0 DCAARN CCN(Cc1noc(CC(C)C)n1)C(=O)C[C@H]1NC(=O)NC1=O ZINC000055358150 395917987 /nfs/dbraw/zinc/91/79/87/395917987.db2.gz ZBBZBTYXEKNTJD-SECBINFHSA-N 0 0 323.353 0.215 50 0 DCAARN O=C(NCCCn1ccnc1)c1cccnc1N1CCOCC1 ZINC000055530989 395919316 /nfs/dbraw/zinc/91/93/16/395919316.db2.gz SMPGCVFJHGYBMN-UHFFFAOYSA-N 0 0 315.377 0.935 50 0 DCAARN O=C(CN1Cc2cnn(CCO)c2C1)NCc1cccs1 ZINC000244882580 395926071 /nfs/dbraw/zinc/92/60/71/395926071.db2.gz XULZEAUPMBWQOD-UHFFFAOYSA-N 0 0 306.391 0.569 50 0 DCAARN O=C(Cn1ncccc1=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000245093430 395926967 /nfs/dbraw/zinc/92/69/67/395926967.db2.gz RNEPHSZCXYXNMS-LBPRGKRZSA-N 0 0 314.349 0.186 50 0 DCAARN Cc1noc(C)c1CN1CCN(C(=O)C(C)(C)C(N)=O)CC1 ZINC000225521264 395861527 /nfs/dbraw/zinc/86/15/27/395861527.db2.gz YFPOZRSXSGERGH-UHFFFAOYSA-N 0 0 308.382 0.447 50 0 DCAARN COCCNC(=O)NCCC(=O)N1CCc2sccc2C1 ZINC000052268889 395861614 /nfs/dbraw/zinc/86/16/14/395861614.db2.gz WEOQKEWXESAIPB-UHFFFAOYSA-N 0 0 311.407 0.969 50 0 DCAARN CN(C)c1cccc(C(=O)N2CC[C@H](N3C(=O)COC3=O)C2)c1 ZINC000225699282 395862150 /nfs/dbraw/zinc/86/21/50/395862150.db2.gz GLJXPWCWOPEDBZ-ZDUSSCGKSA-N 0 0 317.345 0.946 50 0 DCAARN O=C(COc1ccccc1)N1CC[C@@H](NS(=O)(=O)C2CC2)C1 ZINC000225755691 395862970 /nfs/dbraw/zinc/86/29/70/395862970.db2.gz ZQZVWZYESYKPGA-GFCCVEGCSA-N 0 0 324.402 0.748 50 0 DCAARN C[C@H]1CCCN(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)C1 ZINC000229756995 395875871 /nfs/dbraw/zinc/87/58/71/395875871.db2.gz OIXLPRNPUNOANN-WCQYABFASA-N 0 0 311.407 0.779 50 0 DCAARN CCS(=O)(=O)CC(=O)NCCN1CCc2sccc2C1 ZINC000053270173 395879779 /nfs/dbraw/zinc/87/97/79/395879779.db2.gz DRAVIPMRQATHEQ-UHFFFAOYSA-N 0 0 316.448 0.657 50 0 DCAARN c1csc(CN2CCN(c3ccc4nnnn4n3)CC2)c1 ZINC000057373604 395943587 /nfs/dbraw/zinc/94/35/87/395943587.db2.gz SAJGDFVCBOLALJ-UHFFFAOYSA-N 0 0 301.379 0.903 50 0 DCAARN C[C@@H]1CN(C(=O)C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CCO1 ZINC000246875089 395960518 /nfs/dbraw/zinc/96/05/18/395960518.db2.gz VGFOPBSIEGEPAI-RFGFWPKPSA-N 0 0 310.394 0.951 50 0 DCAARN Cn1ncc2c1nc(C(=O)NC1CC1)nc2N1CCSCC1 ZINC000065257192 395991156 /nfs/dbraw/zinc/99/11/56/395991156.db2.gz QJRXHSZCCPHFSW-UHFFFAOYSA-N 0 0 318.406 0.809 50 0 DCAARN CC(C)NC(=O)c1nc2c(cnn2C)c(N2CCOCC2)n1 ZINC000065257089 395991201 /nfs/dbraw/zinc/99/12/01/395991201.db2.gz DOAGIHCFWOERIH-UHFFFAOYSA-N 0 0 304.354 0.338 50 0 DCAARN Cc1nc(N2CCCC2)n(CCN2CCOCC2)c(=O)c1C ZINC000065307469 395992023 /nfs/dbraw/zinc/99/20/23/395992023.db2.gz SGCCEEOEAOHZNA-UHFFFAOYSA-N 0 0 306.410 0.793 50 0 DCAARN O[C@@H]1CCCN(c2ccnc(N3CCc4nc[nH]c4C3)n2)C1 ZINC000065417271 395993278 /nfs/dbraw/zinc/99/32/78/395993278.db2.gz GRQFWXAHPBPNIO-LLVKDONJSA-N 0 0 300.366 0.724 50 0 DCAARN CCCN1C(=O)N[C@@H](CC(=O)NCCn2ccnc2C)C1=O ZINC000252510305 396022643 /nfs/dbraw/zinc/02/26/43/396022643.db2.gz ZGOIBSSPZKPDQQ-NSHDSACASA-N 0 0 307.354 0.028 50 0 DCAARN Cc1ccoc1C(=O)N[C@@H]1CN(c2ncccn2)C[C@H]1CO ZINC000253403377 396027038 /nfs/dbraw/zinc/02/70/38/396027038.db2.gz HDFHSMFMOACGAB-NWDGAFQWSA-N 0 0 302.334 0.605 50 0 DCAARN Cc1cc(C(=O)N2C[C@@H](CO)[C@H](c3ccccn3)C2)n(C)n1 ZINC000253414606 396027683 /nfs/dbraw/zinc/02/76/83/396027683.db2.gz XYMRAUZSYBSUGA-QWHCGFSZSA-N 0 0 300.362 0.972 50 0 DCAARN CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cccnc1 ZINC000253471280 396028586 /nfs/dbraw/zinc/02/85/86/396028586.db2.gz OPXINKDBLJAJMZ-JTQLQIEISA-N 0 0 318.333 0.211 50 0 DCAARN COc1ccccc1CCC(=O)N1CC[N@H+](C)[C@@H](C(=O)[O-])C1 ZINC000067587694 396028607 /nfs/dbraw/zinc/02/86/07/396028607.db2.gz XTIYVQDTNNZORB-CYBMUJFWSA-N 0 0 306.362 0.855 50 0 DCAARN O=C(CSCc1ccccc1)N1CC(N2C(=O)CNC2=O)C1 ZINC000253473275 396029852 /nfs/dbraw/zinc/02/98/52/396029852.db2.gz TYGAKHSUXQCCMN-UHFFFAOYSA-N 0 0 319.386 0.682 50 0 DCAARN CCOc1ccccc1C=c1sc2nc(=O)c(C)nn2c1=O ZINC000254791464 396031998 /nfs/dbraw/zinc/03/19/98/396031998.db2.gz OLNFKQMJBJKRFN-UHFFFAOYSA-N 0 0 315.354 0.766 50 0 DCAARN Cc1nc2nc(N)nn2c(C)c1CC(=O)N=c1sccn1C ZINC000254703966 396032402 /nfs/dbraw/zinc/03/24/02/396032402.db2.gz ZPXMUSPVYHNXJG-UHFFFAOYSA-N 0 0 317.378 0.393 50 0 DCAARN Cc1c[nH]c(C(=O)N2CCn3nc(C(=O)NC4CC4)cc3C2)n1 ZINC000067773085 396033347 /nfs/dbraw/zinc/03/33/47/396033347.db2.gz WWTQPQCMVHXPDV-UHFFFAOYSA-N 0 0 314.349 0.463 50 0 DCAARN CCn1ccc(C(=O)N2CCC[C@@H](CO)CCNC(=O)CC2)n1 ZINC000257178437 396034332 /nfs/dbraw/zinc/03/43/32/396034332.db2.gz GHEHZCJVFXXBCC-CYBMUJFWSA-N 0 0 322.409 0.644 50 0 DCAARN CCCN1C[C@@H](NC(=O)c2nc3ccccc3[nH]c2=O)CC1=O ZINC000067817715 396034722 /nfs/dbraw/zinc/03/47/22/396034722.db2.gz VEBCUMGFQLWAOL-JTQLQIEISA-N 0 0 314.345 0.664 50 0 DCAARN O=C(c1cc[nH]n1)N1CCC(N2CC(F)(F)C[C@H]2CO)CC1 ZINC000257191390 396034817 /nfs/dbraw/zinc/03/48/17/396034817.db2.gz QEXCPHTUMYLPIM-NSHDSACASA-N 0 0 314.336 0.716 50 0 DCAARN COc1cc(OC)cc(C(=O)N2C[C@@H](CO)[C@H]([NH+](C)C)C2)c1 ZINC000257194657 396036183 /nfs/dbraw/zinc/03/61/83/396036183.db2.gz UMHFHGZKYCQNBM-SWLSCSKDSA-N 0 0 308.378 0.698 50 0 DCAARN C[C@H]1CN(C(=O)c2cc(CN3CCOCC3)on2)CCN1C ZINC000067855783 396036232 /nfs/dbraw/zinc/03/62/32/396036232.db2.gz QDXTWJGZAZLKLP-LBPRGKRZSA-N 0 0 308.382 0.283 50 0 DCAARN CN(Cc1nc2ccccc2[nH]1)C(=O)C[C@H]1C(=O)NCCN1C ZINC000067967553 396040711 /nfs/dbraw/zinc/04/07/11/396040711.db2.gz ZCPPUOFSFGCCOF-ZDUSSCGKSA-N 0 0 315.377 0.342 50 0 DCAARN O=C(Cn1c(=O)onc1-c1cccnc1)NCc1ccco1 ZINC000068920450 396066022 /nfs/dbraw/zinc/06/60/22/396066022.db2.gz MYQAROMIDZJZIW-UHFFFAOYSA-N 0 0 300.274 0.808 50 0 DCAARN CCOc1cccc2c1OC[C@@H](C(=O)N[C@H](CO)COC)C2 ZINC000252479895 396020057 /nfs/dbraw/zinc/02/00/57/396020057.db2.gz BOUWTBNEEOJZBO-QWHCGFSZSA-N 0 0 309.362 0.760 50 0 DCAARN CC(C)Oc1ccc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)cn1 ZINC000069656915 396086284 /nfs/dbraw/zinc/08/62/84/396086284.db2.gz CIBOOHCMDWVOKR-GFCCVEGCSA-N 0 0 317.345 0.889 50 0 DCAARN Cc1cc(CNC(=O)CN2CCN(C[C@H](C)O)CC2)ccc1F ZINC000069652426 396086420 /nfs/dbraw/zinc/08/64/20/396086420.db2.gz CCILTQVBLSYDCZ-AWEZNQCLSA-N 0 0 323.412 0.749 50 0 DCAARN Cc1ccc(C)c(CC(=O)N[C@@H]2CCCN(CC(N)=O)C2)c1 ZINC000069739360 396088669 /nfs/dbraw/zinc/08/86/69/396088669.db2.gz KTRRBJXTEBTSKT-OAHLLOKOSA-N 0 0 303.406 0.912 50 0 DCAARN O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(CCO)CC1 ZINC000069778013 396090317 /nfs/dbraw/zinc/09/03/17/396090317.db2.gz UMPMCTISIMDQSE-INIZCTEOSA-N 0 0 303.406 0.616 50 0 DCAARN COc1ncccc1NC(=O)C(=O)NCc1ccccc1CO ZINC000069776039 396090452 /nfs/dbraw/zinc/09/04/52/396090452.db2.gz RVMTWTCORKEMNP-UHFFFAOYSA-N 0 0 315.329 0.837 50 0 DCAARN CCC(=O)N1C[C@@H](c2cccnc2)[C@H](C(=O)N2CCOCC2)C1 ZINC000169752072 396090759 /nfs/dbraw/zinc/09/07/59/396090759.db2.gz NJEAHPJZLPFNND-LSDHHAIUSA-N 0 0 317.389 0.892 50 0 DCAARN CN1C[C@@H](C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC1=O ZINC000069809394 396091210 /nfs/dbraw/zinc/09/12/10/396091210.db2.gz AGJQKQYFMWKQGQ-JTQLQIEISA-N 0 0 313.398 0.884 50 0 DCAARN COc1ccccc1CCC(=O)N1CCc2n[nH]c(=O)n2CC1 ZINC000169783069 396091774 /nfs/dbraw/zinc/09/17/74/396091774.db2.gz MMRHVLPMDZDROK-UHFFFAOYSA-N 0 0 316.361 0.598 50 0 DCAARN COCCN1CCN(CC(=O)N(C)Cc2cnn(C)c2)C[C@@H]1C ZINC000069842174 396092064 /nfs/dbraw/zinc/09/20/64/396092064.db2.gz BBGRFXCMALCSOT-AWEZNQCLSA-N 0 0 323.441 0.031 50 0 DCAARN CCN(CC)C(=O)N1CCC2(CC1)N(C)C(=O)C[S@]2=O ZINC000169791748 396093443 /nfs/dbraw/zinc/09/34/43/396093443.db2.gz JIQXGYYBFYZYOQ-HXUWFJFHSA-N 0 0 301.412 0.461 50 0 DCAARN CCCS(=O)(=O)N1CCN(CCNC(=O)C2CCC2)CC1 ZINC000069874556 396093879 /nfs/dbraw/zinc/09/38/79/396093879.db2.gz JKMSOMJPFGBOKL-UHFFFAOYSA-N 0 0 317.455 0.260 50 0 DCAARN C[C@H]1C[C@H](O)CN1c1ccc(S(=O)(=O)NCC2CC2)cn1 ZINC000170088639 396094422 /nfs/dbraw/zinc/09/44/22/396094422.db2.gz DVKPREYTPPPQLT-JQWIXIFHSA-N 0 0 311.407 0.729 50 0 DCAARN CNC(=O)c1ccc(N2CC(O)(c3ccc(F)cc3)C2)nn1 ZINC000170619181 396096194 /nfs/dbraw/zinc/09/61/94/396096194.db2.gz ZJXDNVYKAGLQBO-UHFFFAOYSA-N 0 0 302.309 0.683 50 0 DCAARN O=C(CCN1CCO[C@@H](Cn2cncn2)C1)N1CCCCC1 ZINC000069969881 396096567 /nfs/dbraw/zinc/09/65/67/396096567.db2.gz GBTSRJZWTCXTFL-CQSZACIVSA-N 0 0 307.398 0.382 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 ZINC000070007068 396096941 /nfs/dbraw/zinc/09/69/41/396096941.db2.gz DJADMYTUIGLAFZ-AWEZNQCLSA-N 0 0 306.410 0.676 50 0 DCAARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCCc1nc(N)no1 ZINC000170651668 396097084 /nfs/dbraw/zinc/09/70/84/396097084.db2.gz JPDVGYVIAPKTJT-QPUJVOFHSA-N 0 0 304.306 0.539 50 0 DCAARN O=C(Cn1nc2c(cc1=O)CCCCC2)NC[C@@H]1CCCO1 ZINC000071282829 396111570 /nfs/dbraw/zinc/11/15/70/396111570.db2.gz GIZBJIDWCVHCJK-ZDUSSCGKSA-N 0 0 305.378 0.807 50 0 DCAARN Cc1[nH][nH]c(=O)c1CC(=O)NC1(CN2CCOCC2)CCCC1 ZINC000071278878 396111946 /nfs/dbraw/zinc/11/19/46/396111946.db2.gz WWGSIEQRACRPHV-UHFFFAOYSA-N 0 0 322.409 0.727 50 0 DCAARN Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c1n[nH]c(=O)n21 ZINC000071289389 396112720 /nfs/dbraw/zinc/11/27/20/396112720.db2.gz VNQXKAQUAGEYNR-UHFFFAOYSA-N 0 0 314.280 0.258 50 0 DCAARN CNC(=O)CN1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000071796262 396115082 /nfs/dbraw/zinc/11/50/82/396115082.db2.gz GZHOFCJRMOPDJH-UHFFFAOYSA-N 0 0 319.380 0.748 50 0 DCAARN CCN(CC(=O)NC(C)(C)C)C(=O)N[C@@H](C)Cn1cncn1 ZINC000071804026 396115451 /nfs/dbraw/zinc/11/54/51/396115451.db2.gz HWVODDJFUOITBA-NSHDSACASA-N 0 0 310.402 0.613 50 0 DCAARN Cc1nnc(CN2CCCN(C(=O)c3ccncc3)CC2)n1C ZINC000071811830 396116058 /nfs/dbraw/zinc/11/60/58/396116058.db2.gz LWIHGOSXDBWSHT-UHFFFAOYSA-N 0 0 314.393 0.867 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)/C=C/c2cnn(-c3ccccc3)n2)C1 ZINC000071821059 396116338 /nfs/dbraw/zinc/11/63/38/396116338.db2.gz UMSOJUYCQLPWLU-NNNHXZLVSA-N 0 0 311.345 0.614 50 0 DCAARN COc1cc(CNC(=O)C[C@H]2CCCO2)ccc1OCC(N)=O ZINC000071815186 396116441 /nfs/dbraw/zinc/11/64/41/396116441.db2.gz WNVKHKMPKSXORE-GFCCVEGCSA-N 0 0 322.361 0.745 50 0 DCAARN NC(=O)c1ccc(OCC(=O)N2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000071830316 396117823 /nfs/dbraw/zinc/11/78/23/396117823.db2.gz NLMNZXVTWLUTCB-UONOGXRCSA-N 0 0 304.346 0.944 50 0 DCAARN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cnc2n(c1=O)CCS2 ZINC000071830213 396118011 /nfs/dbraw/zinc/11/80/11/396118011.db2.gz RDXCSXDXKKSYLL-RKDXNWHRSA-N 0 0 322.390 0.075 50 0 DCAARN COCCc1noc(CNC[C@@H]2CCCN2c2cccnn2)n1 ZINC000071859941 396119584 /nfs/dbraw/zinc/11/95/84/396119584.db2.gz ZZZXKYBNJYMKCG-LBPRGKRZSA-N 0 0 318.381 0.807 50 0 DCAARN COc1ccc(COCC(=O)N2CCN(C[C@@H](C)O)CC2)cc1 ZINC000071871309 396120113 /nfs/dbraw/zinc/12/01/13/396120113.db2.gz ZDTWEALURGQTMO-CQSZACIVSA-N 0 0 322.405 0.737 50 0 DCAARN CCc1nnc2n1CCN(CC(=O)Nc1cc(C)nn1C)C2 ZINC000071871947 396120303 /nfs/dbraw/zinc/12/03/03/396120303.db2.gz NSZROHNAZBKZGD-UHFFFAOYSA-N 0 0 303.370 0.337 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCO[C@H](Cn3cncn3)C2)on1 ZINC000071876564 396121402 /nfs/dbraw/zinc/12/14/02/396121402.db2.gz GOOIXLIKKCBGSR-RYUDHWBXSA-N 0 0 320.353 0.303 50 0 DCAARN O=C(CN1CCCC[C@H]1Cn1cncn1)NCc1ccccn1 ZINC000071876443 396121476 /nfs/dbraw/zinc/12/14/76/396121476.db2.gz WFBYWDMBSNXJJI-HNNXBMFYSA-N 0 0 314.393 0.844 50 0 DCAARN O[C@@H](CN1CCO[C@H](Cn2cncn2)C1)c1ccc(F)cc1F ZINC000071876595 396121573 /nfs/dbraw/zinc/12/15/73/396121573.db2.gz FJYQBIVXOYXEIO-WFASDCNBSA-N 0 0 324.331 0.991 50 0 DCAARN Cc1cc(NC(=O)CN2CCCC[C@@H]2Cn2cncn2)n(C)n1 ZINC000071876270 396121836 /nfs/dbraw/zinc/12/18/36/396121836.db2.gz YFPPHIJARJHHOI-CYBMUJFWSA-N 0 0 317.397 0.813 50 0 DCAARN CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1nnnn1C1CC1 ZINC000071880455 396122797 /nfs/dbraw/zinc/12/27/97/396122797.db2.gz KADXUSLSNZCQPB-KGLIPLIRSA-N 0 0 304.398 0.983 50 0 DCAARN CCN(C)[C@@H](C(=O)O[C@@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC000071921377 396125323 /nfs/dbraw/zinc/12/53/23/396125323.db2.gz SMGGKXCBFQDLNG-CMPLNLGQSA-N 0 0 307.350 0.806 50 0 DCAARN CN(CCn1cccn1)C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000171880451 396127641 /nfs/dbraw/zinc/12/76/41/396127641.db2.gz PDWNTUZIUJZQHD-VHSXEESVSA-N 0 0 318.299 0.799 50 0 DCAARN CN1CC[C@@H](NC(=O)CSCC(=O)c2ccccc2)C1=O ZINC000072291769 396129597 /nfs/dbraw/zinc/12/95/97/396129597.db2.gz WTRICGGXVJWFAY-GFCCVEGCSA-N 0 0 306.387 0.949 50 0 DCAARN Cn1ccnc1CN1CCN(Cc2noc(C3CC3)n2)CC1 ZINC000069455779 396079312 /nfs/dbraw/zinc/07/93/12/396079312.db2.gz PQXAMWGEOVJSPV-UHFFFAOYSA-N 0 0 302.382 0.998 50 0 DCAARN CN(Cc1ccccc1)C(=O)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000069490505 396080100 /nfs/dbraw/zinc/08/01/00/396080100.db2.gz GNLJBSSTKWAVER-CQSZACIVSA-N 0 0 317.389 0.630 50 0 DCAARN Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)NC2CCOCC2)n1 ZINC000069521575 396081993 /nfs/dbraw/zinc/08/19/93/396081993.db2.gz CZRKFOKSUHELBC-HNNXBMFYSA-N 0 0 321.425 0.655 50 0 DCAARN CC(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C(=O)[O-] ZINC000262672569 396171773 /nfs/dbraw/zinc/17/17/73/396171773.db2.gz PYZALAYMMMWHQP-VXGBXAGGSA-N 0 0 313.398 0.012 50 0 DCAARN CCCC(=O)N1CCCC[C@H]1C(=O)N(C)C[C@@H](O)COC ZINC000075092812 396176064 /nfs/dbraw/zinc/17/60/64/396176064.db2.gz HUUIXYFWJLQHSS-OLZOCXBDSA-N 0 0 300.399 0.633 50 0 DCAARN CC(C)S(=O)(=O)CC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000075602569 396181729 /nfs/dbraw/zinc/18/17/29/396181729.db2.gz FAHQTKOWTBFLTF-LLVKDONJSA-N 0 0 300.384 0.265 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCO[C@H](c3nnc(C)[nH]3)C2)on1 ZINC000076042589 396192856 /nfs/dbraw/zinc/19/28/56/396192856.db2.gz PYFMZJXHUPFYDP-KOLCDFICSA-N 0 0 320.353 0.810 50 0 DCAARN CCCc1nnc([C@@H]2CN(C(=O)CCn3ccnc3)CCO2)[nH]1 ZINC000076046224 396193114 /nfs/dbraw/zinc/19/31/14/396193114.db2.gz MAYZLMBHRTWKLS-LBPRGKRZSA-N 0 0 318.381 0.944 50 0 DCAARN CC(=O)N1CCN([C@@H]2CN([C@@H](C)c3nc(C)no3)C[C@@H]2C)CC1 ZINC000076055558 396194525 /nfs/dbraw/zinc/19/45/25/396194525.db2.gz ZZLMRJKDPZXNCX-SLEUVZQESA-N 0 0 321.425 0.923 50 0 DCAARN CC(=O)N1CCN([C@@H]2CN(Cc3ncc(C)o3)C[C@H]2C)CC1 ZINC000076055295 396195036 /nfs/dbraw/zinc/19/50/36/396195036.db2.gz UGRHNRTYNZKHCB-IUODEOHRSA-N 0 0 306.410 0.967 50 0 DCAARN CC(=O)N1CCN([C@@H]2CN(Cc3nnc(C)o3)C[C@@H]2C)CC1 ZINC000076055562 396195049 /nfs/dbraw/zinc/19/50/49/396195049.db2.gz DOSFRJLIXYJCDD-SMDDNHRTSA-N 0 0 307.398 0.362 50 0 DCAARN CCN1N=C(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)CCC1=O ZINC000076051990 396195232 /nfs/dbraw/zinc/19/52/32/396195232.db2.gz DZOQGKGAKOPFEK-GXTWGEPZSA-N 0 0 322.409 0.164 50 0 DCAARN Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)c1csnn1 ZINC000280351657 396195469 /nfs/dbraw/zinc/19/54/69/396195469.db2.gz QTZZAOKJXYSIKS-UWVGGRQHSA-N 0 0 324.385 0.614 50 0 DCAARN CC(=O)N1CCC[C@H](CNc2nc3c(cnn3C)c(N)n2)C1 ZINC000280493070 396204289 /nfs/dbraw/zinc/20/42/89/396204289.db2.gz OQTQLXWPDWLCCU-SNVBAGLBSA-N 0 0 303.370 0.616 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccncc1F ZINC000078083984 396238638 /nfs/dbraw/zinc/23/86/38/396238638.db2.gz AAEBWIQRNRYGKF-SNVBAGLBSA-N 0 0 315.370 0.765 50 0 DCAARN CN(CC(F)(F)F)C(=O)CNc1cnn(C)c(=O)c1Cl ZINC000078340200 396242453 /nfs/dbraw/zinc/24/24/53/396242453.db2.gz BOICILOXRPBZHF-UHFFFAOYSA-N 0 0 312.679 0.866 50 0 DCAARN Cn1nc2c(cc1=O)CN([C@H](C(N)=O)c1ccc(F)cc1)CC2 ZINC000078620471 396250291 /nfs/dbraw/zinc/25/02/91/396250291.db2.gz FOEMLCFUTBRFIW-HNNXBMFYSA-N 0 0 316.336 0.504 50 0 DCAARN Cc1ccc([C@@H]2CCCN2S(=O)(=O)N(C)CC(N)=O)o1 ZINC000078879959 396255926 /nfs/dbraw/zinc/25/59/26/396255926.db2.gz VOADDFDRDQQPLJ-JTQLQIEISA-N 0 0 301.368 0.387 50 0 DCAARN O=C1CC[C@@H](NS(=O)(=O)N2CCC[C@H]2c2ccco2)CN1 ZINC000078880917 396256344 /nfs/dbraw/zinc/25/63/44/396256344.db2.gz XFSZJCBZJIQNNC-MNOVXSKESA-N 0 0 313.379 0.530 50 0 DCAARN Cn1cc(C(=O)NCCN2CCOCC2)c2ccccc2c1=O ZINC000079495236 396266079 /nfs/dbraw/zinc/26/60/79/396266079.db2.gz OUHGMQLSHZYRLZ-UHFFFAOYSA-N 0 0 315.373 0.601 50 0 DCAARN COC(=O)[C@@H](C)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183746695 396273905 /nfs/dbraw/zinc/27/39/05/396273905.db2.gz VWRMVXOJBXCLBF-YPMHNXCESA-N 0 0 318.439 0.874 50 0 DCAARN Cc1cn(CC(=O)N(C)Cc2noc(C(C)C)n2)c(=O)[nH]c1=O ZINC000077321604 396218715 /nfs/dbraw/zinc/21/87/15/396218715.db2.gz QXMBPOIXKJCHJO-UHFFFAOYSA-N 0 0 321.337 0.010 50 0 DCAARN O=C(c1cc(=O)c2ccccc2o1)N1CCOC[C@H](CO)C1 ZINC000077505907 396224582 /nfs/dbraw/zinc/22/45/82/396224582.db2.gz OISRXFVCBLZUBK-NSHDSACASA-N 0 0 303.314 0.874 50 0 DCAARN COCCC(=O)N1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000077535072 396225598 /nfs/dbraw/zinc/22/55/98/396225598.db2.gz ULAQIQDFWVVWQN-UHFFFAOYSA-N 0 0 306.362 0.903 50 0 DCAARN Cc1cnn([C@H]2CCN(C(=O)c3ccnc4c3nnn4C)C2)c1 ZINC000290805706 396472969 /nfs/dbraw/zinc/47/29/69/396472969.db2.gz UXGOENWRQWVIOM-NSHDSACASA-N 0 0 311.349 0.955 50 0 DCAARN COCCc1noc([C@H](C)NC(=O)c2cn3cccnc3n2)n1 ZINC000584890672 396633865 /nfs/dbraw/zinc/63/38/65/396633865.db2.gz PUGNVLLEJBRQHS-VIFPVBQESA-N 0 0 316.321 0.792 50 0 DCAARN Nc1cc(=O)[nH]c(CCNC(=O)c2ccc3c(c2)OCCO3)n1 ZINC000584901357 396636819 /nfs/dbraw/zinc/63/68/19/396636819.db2.gz OXTFWULELXCWLQ-UHFFFAOYSA-N 0 0 316.317 0.508 50 0 DCAARN CCc1noc(CCNC(=O)[C@@H]2CCCCn3nnnc32)n1 ZINC000584902844 396637271 /nfs/dbraw/zinc/63/72/71/396637271.db2.gz VVLWNJHMPDAWHG-SECBINFHSA-N 0 0 305.342 0.245 50 0 DCAARN O=C(N1CCN(CCCCO)CC1)C1(Cn2ccnc2)CC1 ZINC000584902950 396637295 /nfs/dbraw/zinc/63/72/95/396637295.db2.gz KREJWPIYCCIYST-UHFFFAOYSA-N 0 0 306.410 0.580 50 0 DCAARN CC(=O)N1CCN(C(=O)CNc2cc(CO)ccc2C)CC1 ZINC000294439249 396674148 /nfs/dbraw/zinc/67/41/48/396674148.db2.gz PKCZDYOJNWFZHN-UHFFFAOYSA-N 0 0 305.378 0.590 50 0 DCAARN CCNC(=O)[C@H](C)NS(=O)(=O)C[C@@H](OC)c1ccccc1 ZINC000296105102 396704815 /nfs/dbraw/zinc/70/48/15/396704815.db2.gz XMQWWURSBQQJCO-WCQYABFASA-N 0 0 314.407 0.818 50 0 DCAARN CN1CCO[C@@H](CN(C(=O)[C@H]2CCCO2)c2nccs2)C1 ZINC000299754265 396714021 /nfs/dbraw/zinc/71/40/21/396714021.db2.gz VVJPWRNMYJPYQS-VXGBXAGGSA-N 0 0 311.407 0.986 50 0 DCAARN O=C(NCC1CCN(c2ncc(F)cn2)CC1)[C@@H]1CCOC1 ZINC000618255499 396942238 /nfs/dbraw/zinc/94/22/38/396942238.db2.gz RFMZBSBTRJPMME-GFCCVEGCSA-N 0 0 308.357 0.985 50 0 DCAARN O=C(CO)N1CCOc2c(O)cc(Br)cc2C1 ZINC000601014214 396989612 /nfs/dbraw/zinc/98/96/12/396989612.db2.gz BSVYEUDBVBRHJE-UHFFFAOYSA-N 0 0 302.124 0.868 50 0 DCAARN O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000390829190 397302838 /nfs/dbraw/zinc/30/28/38/397302838.db2.gz WZRFNNSFHPTVHW-JTQLQIEISA-N 0 0 319.321 0.906 50 0 DCAARN O=C(CN1C(=O)CCC1=O)Nc1cnn(C[C@H]2CCCCO2)c1 ZINC000390828459 397303433 /nfs/dbraw/zinc/30/34/33/397303433.db2.gz QZSNCIKNJIFRBA-GFCCVEGCSA-N 0 0 320.349 0.540 50 0 DCAARN O=S1(=O)CCCN1CCN1CCC[C@](O)(C(F)(F)F)C1 ZINC000407951747 397333117 /nfs/dbraw/zinc/33/31/17/397333117.db2.gz SYDTXNHNGYEBAZ-SNVBAGLBSA-N 0 0 316.345 0.411 50 0 DCAARN Cc1ccc(NC(=O)C[C@@H]([NH2+]CCOCCO)C(=O)[O-])cc1 ZINC000004939474 292147853 /nfs/dbraw/zinc/14/78/53/292147853.db2.gz QPOVWBJDBHYZTQ-CYBMUJFWSA-N 0 0 310.350 0.375 50 0 DCAARN COC1CCC(C(=O)N2CCN3CCN(C)C(=O)[C@@H]3C2)CC1 ZINC000065508163 292152032 /nfs/dbraw/zinc/15/20/32/292152032.db2.gz HWFAVQJVMKTMPC-RUXDESIVSA-N 0 0 309.410 0.176 50 0 DCAARN Cc1ccc(S(=O)(=O)NN2CC[S@](=O)[C@@H](C)C2)cc1 ZINC000008575927 292181803 /nfs/dbraw/zinc/18/18/03/292181803.db2.gz HYEVSGUCCBFFMK-BBATYDOGSA-N 0 0 302.421 0.641 50 0 DCAARN COc1cc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)nc(OC)n1 ZINC000299758191 286230712 /nfs/dbraw/zinc/23/07/12/286230712.db2.gz OVXLFHQGOFNAHR-QWRGUYRKSA-N 0 0 318.337 0.436 50 0 DCAARN COc1ccc(C(=O)N2CC[C@@]3(CC(=O)NC3=O)C2)c(F)c1F ZINC000077378000 286280254 /nfs/dbraw/zinc/28/02/54/286280254.db2.gz CGNBGHRPKKIEIY-OAHLLOKOSA-N 0 0 324.283 0.852 50 0 DCAARN CS(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2C(N)=O)cc1 ZINC000299763075 286638768 /nfs/dbraw/zinc/63/87/68/286638768.db2.gz GMOHNFDFNBDCCQ-LLVKDONJSA-N 0 0 311.363 0.572 50 0 DCAARN COc1cccc2c1OC[C@@H](NC(=O)c1ccc(=O)n(C)n1)C2 ZINC000077311253 158067980 /nfs/dbraw/zinc/06/79/80/158067980.db2.gz KXEXOSFTFOBIDV-NSHDSACASA-N 0 0 315.329 0.522 50 0 DCAARN CCc1nc(C)c(C(=O)N2CCc3nn(C)c(=O)cc3C2)o1 ZINC000328900590 159038797 /nfs/dbraw/zinc/03/87/97/159038797.db2.gz YCZPYIAZGHPSKW-UHFFFAOYSA-N 0 0 302.334 0.838 50 0 DCAARN Cn1ncnc1[C@@H]1COCCN1C(=O)Cc1cccc(O)c1 ZINC000329133477 159065238 /nfs/dbraw/zinc/06/52/38/159065238.db2.gz ZAPJVBXWTVYPTQ-ZDUSSCGKSA-N 0 0 302.334 0.663 50 0 DCAARN NC(=O)[C@@]1(O)CCCN(C(=O)CNC(=O)c2cccs2)C1 ZINC000330368480 159165077 /nfs/dbraw/zinc/16/50/77/159165077.db2.gz QDFOEBCLKSIPMD-CYBMUJFWSA-N 0 0 311.363 0.367 50 0 DCAARN Cc1noc2ncc(C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)cc12 ZINC000408017975 160013467 /nfs/dbraw/zinc/01/34/67/160013467.db2.gz WSRYWARIQPSBPE-SNVBAGLBSA-N 0 0 324.362 0.424 50 0 DCAARN C[C@H](CN(C)c1ccc2nnc(C(F)F)n2n1)c1nn[nH]n1 ZINC000132891760 196293712 /nfs/dbraw/zinc/29/37/12/196293712.db2.gz GRFSVMSTNGEAGO-ZCFIWIBFSA-N 0 0 309.284 0.815 50 0 DCAARN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCC(C(N)=O)CC1 ZINC000032652116 287293754 /nfs/dbraw/zinc/29/37/54/287293754.db2.gz XOQYSMOFFFWRRK-YPMHNXCESA-N 0 0 324.425 0.588 50 0 DCAARN CC(C)C(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1 ZINC000011027658 415149917 /nfs/dbraw/zinc/14/99/17/415149917.db2.gz YLLJSBOSGPGXLX-UHFFFAOYSA-N 0 0 300.366 0.967 50 0 DCAARN C[C@@H]1CN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C[C@@H](C)O1 ZINC000021276820 415155421 /nfs/dbraw/zinc/15/54/21/415155421.db2.gz GKUPSWCTPRNJAP-LPWJVIDDSA-N 0 0 306.362 0.573 50 0 DCAARN Cc1cc(OCC(=O)Nc2ccc(-n3cnnn3)cc2)no1 ZINC000025356653 415161423 /nfs/dbraw/zinc/16/14/23/415161423.db2.gz VMCGVMAPUUHFCE-UHFFFAOYSA-N 0 0 300.278 0.976 50 0 DCAARN COc1ccc2c(c1OC)C(=O)N1c3cn(C)nc3C(=O)N[C@H]21 ZINC000000528708 415124334 /nfs/dbraw/zinc/12/43/34/415124334.db2.gz ZOSISIBBXAITHG-ZDUSSCGKSA-N 0 0 314.301 0.840 50 0 DCAARN Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C(C)C)n1 ZINC000000265506 415126125 /nfs/dbraw/zinc/12/61/25/415126125.db2.gz KQCLTRMGEJZLQR-UHFFFAOYSA-N 0 0 302.338 0.807 50 0 biogenic DCAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCOCC1 ZINC000000218508 415126610 /nfs/dbraw/zinc/12/66/10/415126610.db2.gz GRZALRZQJQUILB-UHFFFAOYSA-N 0 0 310.737 0.924 50 0 DCAARN CC(C)NC(=O)NC(=O)CSc1nnnn1-c1ccccc1 ZINC000003523447 415130927 /nfs/dbraw/zinc/13/09/27/415130927.db2.gz IDZKALCNVIYTRO-UHFFFAOYSA-N 0 0 320.378 0.989 50 0 DCAARN COC(=O)CCCNC(=O)Cn1cnc2sccc2c1=O ZINC000007086304 415136936 /nfs/dbraw/zinc/13/69/36/415136936.db2.gz BRBJHQJGZHXEGB-UHFFFAOYSA-N 0 0 309.347 0.527 50 0 DCAARN CCc1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1 ZINC000007040585 415137418 /nfs/dbraw/zinc/13/74/18/415137418.db2.gz STANFJULIFZCIR-UHFFFAOYSA-N 0 0 301.350 0.761 50 0 DCAARN Cn1cnnc1SCC(=O)N1CCN(c2ccccn2)CC1 ZINC000007077095 415138247 /nfs/dbraw/zinc/13/82/47/415138247.db2.gz MTABTJLAGKXHML-UHFFFAOYSA-N 0 0 318.406 0.651 50 0 DCAARN CCCS(=O)(=O)NCc1nnnn1-c1ccc(F)c(F)c1 ZINC000009571213 415145346 /nfs/dbraw/zinc/14/53/46/415145346.db2.gz ZIONQBLHURZAAH-UHFFFAOYSA-N 0 0 317.321 0.770 50 0 DCAARN O=C(CN1CSCC1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008428572 415145428 /nfs/dbraw/zinc/14/54/28/415145428.db2.gz VKROMLMAMXTRKG-UHFFFAOYSA-N 0 0 321.402 0.995 50 0 DCAARN CCOC(=O)C1CCN([C@@H](C)C(=O)NC(=O)NC2CC2)CC1 ZINC000027342865 415167253 /nfs/dbraw/zinc/16/72/53/415167253.db2.gz WHHCOXWZKLQYLT-JTQLQIEISA-N 0 0 311.382 0.638 50 0 DCAARN COc1ccnc(N2CCCN(CC(=O)NC(C)C)CC2)n1 ZINC000026706249 415167973 /nfs/dbraw/zinc/16/79/73/415167973.db2.gz VFOFBTPQRHCMMU-UHFFFAOYSA-N 0 0 307.398 0.522 50 0 DCAARN Cc1oc(CO)cc1C(=O)OCc1nc(N)nc(N(C)C)n1 ZINC000026289927 415168718 /nfs/dbraw/zinc/16/87/18/415168718.db2.gz NIFIAZOJKLZZOH-UHFFFAOYSA-N 0 0 307.310 0.271 50 0 DCAARN C[C@H](CNC1=NS(=O)(=O)c2ccccc21)N1CCOCC1 ZINC000027349100 415171962 /nfs/dbraw/zinc/17/19/62/415171962.db2.gz BYVZAQXCNVDWII-LLVKDONJSA-N 0 0 309.391 0.446 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)N(Cc1cccs1)C1CC1 ZINC000030302529 415182538 /nfs/dbraw/zinc/18/25/38/415182538.db2.gz INNWHJKYGMAFDA-UHFFFAOYSA-N 0 0 305.359 0.789 50 0 DCAARN CC(C)[C@H](CNC(=O)C1=NN(C)C(=O)CC1)N1CCOCC1 ZINC000042029030 415207049 /nfs/dbraw/zinc/20/70/49/415207049.db2.gz SXQVNVNVBVVECN-ZDUSSCGKSA-N 0 0 310.398 0.068 50 0 DCAARN C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1ccccn1 ZINC000044949997 415237421 /nfs/dbraw/zinc/23/74/21/415237421.db2.gz TYKQQQXTLXXLIE-LLVKDONJSA-N 0 0 314.411 0.723 50 0 DCAARN C[C@H]1CN(C(=O)NC2CCN(c3ncccn3)CC2)CCO1 ZINC000044968318 415238979 /nfs/dbraw/zinc/23/89/79/415238979.db2.gz WVWINDPLAUIBPV-LBPRGKRZSA-N 0 0 305.382 0.876 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)NC[C@@H]2COc3ccccc3C2)C1 ZINC000045128399 415244327 /nfs/dbraw/zinc/24/43/27/415244327.db2.gz ZNTBVRANKBHUPT-DGCLKSJQSA-N 0 0 303.362 0.755 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)S(=O)(=O)C[C@@H]2CCCO2)no1 ZINC000045359830 415245543 /nfs/dbraw/zinc/24/55/43/415245543.db2.gz DHZKRHSKGCWLSA-UWVGGRQHSA-N 0 0 302.352 0.904 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000046278078 415259737 /nfs/dbraw/zinc/25/97/37/415259737.db2.gz NHIXIGQGVHYONP-STQMWFEESA-N 0 0 324.402 0.530 50 0 DCAARN Cc1nn(C)c(Cl)c1C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000044722739 415224760 /nfs/dbraw/zinc/22/47/60/415224760.db2.gz JTFQINNZRMVVGB-QMMMGPOBSA-N 0 0 305.787 0.546 50 0 DCAARN CCn1nnc2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000044873717 415229022 /nfs/dbraw/zinc/22/90/22/415229022.db2.gz XUEDZKVEIBTBIY-SNVBAGLBSA-N 0 0 308.363 0.368 50 0 DCAARN CCCn1cc(CNC(=O)C(=O)Nc2c[nH]ccc2=O)c(C)n1 ZINC000044891518 415229604 /nfs/dbraw/zinc/22/96/04/415229604.db2.gz MCPFMXSEFIKQHA-UHFFFAOYSA-N 0 0 317.349 0.545 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)[C@H]1COc2ccccc2C1 ZINC000044908005 415231387 /nfs/dbraw/zinc/23/13/87/415231387.db2.gz ZHELTMDUAVAICM-DGCLKSJQSA-N 0 0 309.387 0.789 50 0 DCAARN COC(=O)CN(Cc1ccccc1C)C(=O)Cn1cnnn1 ZINC000066291525 415354600 /nfs/dbraw/zinc/35/46/00/415354600.db2.gz MGVVBFLAXYLRRD-UHFFFAOYSA-N 0 0 303.322 0.183 50 0 DCAARN CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000048263393 415285964 /nfs/dbraw/zinc/28/59/64/415285964.db2.gz HDMCTXZLIPFLTO-QWHCGFSZSA-N 0 0 318.439 0.543 50 0 DCAARN CC(C)N(C)C(=O)CC1CCN(C(=O)Cn2cnnn2)CC1 ZINC000048254124 415286206 /nfs/dbraw/zinc/28/62/06/415286206.db2.gz HPXCTIWSDWQCDB-UHFFFAOYSA-N 0 0 308.386 0.169 50 0 DCAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CCC(=O)NC1 ZINC000048277269 415287774 /nfs/dbraw/zinc/28/77/74/415287774.db2.gz DYGOKZQMPMPBEG-JTQLQIEISA-N 0 0 314.345 0.408 50 0 DCAARN COc1cccc(C(=O)NCCNC(=O)c2cc(C)n[nH]2)c1 ZINC000048275968 415288663 /nfs/dbraw/zinc/28/86/63/415288663.db2.gz SEFWDPUILPRCGW-UHFFFAOYSA-N 0 0 302.334 0.887 50 0 DCAARN CCN1C(=O)C(=O)N(CCOc2ccc(C(=O)OC)cc2)C1=O ZINC000048354899 415289353 /nfs/dbraw/zinc/28/93/53/415289353.db2.gz AXGJGDHYHXVAOR-UHFFFAOYSA-N 0 0 320.301 0.663 50 0 DCAARN CC(=O)N1CCN(C(=O)NCc2ccc3c(c2)OCCO3)CC1 ZINC000048324855 415289487 /nfs/dbraw/zinc/28/94/87/415289487.db2.gz UHBBZJUTUYFDHY-UHFFFAOYSA-N 0 0 319.361 0.832 50 0 DCAARN CCN1CCN(CC(=O)N[C@H]2CCc3ccccc32)C(=O)C1=O ZINC000048309850 415292166 /nfs/dbraw/zinc/29/21/66/415292166.db2.gz RPXAEUXAJBWIHE-AWEZNQCLSA-N 0 0 315.373 0.481 50 0 DCAARN O=C(NCCCn1cncn1)NC[C@H]1Cc2ccccc2O1 ZINC000048739513 415296782 /nfs/dbraw/zinc/29/67/82/415296782.db2.gz ACFDAROSFQPOPZ-CYBMUJFWSA-N 0 0 301.350 0.971 50 0 DCAARN CC[C@@H](C)NC(=O)c1ccc(CNC(=O)Cn2cnnn2)cc1 ZINC000048911659 415301952 /nfs/dbraw/zinc/30/19/52/415301952.db2.gz MAOFFJHDAWTGQU-LLVKDONJSA-N 0 0 316.365 0.518 50 0 DCAARN CN(CC(N)=O)CC(=O)NCc1cc(Br)cs1 ZINC000049237029 415303139 /nfs/dbraw/zinc/30/31/39/415303139.db2.gz HTRABDDSQQOGHE-UHFFFAOYSA-N 0 0 320.212 0.544 50 0 DCAARN COC[C@@](C)(NS(=O)(=O)c1c(C)cc(C)cc1C)C(N)=O ZINC000071900697 415411822 /nfs/dbraw/zinc/41/18/22/415411822.db2.gz ZVCCUNSKZRMRSS-CQSZACIVSA-N 0 0 314.407 0.781 50 0 DCAARN CC(C)c1nc2c(n1C)CCN(CCN1C(=O)CNC1=O)C2 ZINC000072268361 415412475 /nfs/dbraw/zinc/41/24/75/415412475.db2.gz LQNQOEHSYIUAGB-UHFFFAOYSA-N 0 0 305.382 0.453 50 0 DCAARN Cc1nc(-c2ccc(F)cc2)n(CC(N)=O)c(=O)c1CCO ZINC000067301112 415374707 /nfs/dbraw/zinc/37/47/07/415374707.db2.gz DYNILBSDEUUCTK-UHFFFAOYSA-N 0 0 305.309 0.378 50 0 DCAARN CC(C)N1CCCn2nc(C(=O)N[C@@H](C)C(=O)N(C)C)cc2C1 ZINC000067587025 415378463 /nfs/dbraw/zinc/37/84/63/415378463.db2.gz BULJESZLEYYGEX-LBPRGKRZSA-N 0 0 321.425 0.704 50 0 DCAARN COCC(=O)N1CCCN(C(=O)CSc2ccncc2)CC1 ZINC000067674048 415378528 /nfs/dbraw/zinc/37/85/28/415378528.db2.gz ZGPFTJQTGXUBSY-UHFFFAOYSA-N 0 0 323.418 0.881 50 0 DCAARN COc1ccc(N2CCN(C(=O)N3CCOCC3)CC2)nc1 ZINC000332398411 415382310 /nfs/dbraw/zinc/38/23/10/415382310.db2.gz QVIHLQCVQFESAH-UHFFFAOYSA-N 0 0 306.366 0.664 50 0 DCAARN NC(=O)c1cnc2n1CCN(C(=O)c1cnn3ccccc13)C2 ZINC000067741489 415385472 /nfs/dbraw/zinc/38/54/72/415385472.db2.gz YMKBLPWFIOFOJY-UHFFFAOYSA-N 0 0 310.317 0.286 50 0 DCAARN CCn1cnnc1CCNC(=O)c1cc(-c2cccn2C)n[nH]1 ZINC000067834225 415386418 /nfs/dbraw/zinc/38/64/18/415386418.db2.gz FXKWRCGCATYSAL-UHFFFAOYSA-N 0 0 313.365 0.999 50 0 DCAARN CC(C)N1CCCn2nc(C(=O)N[C@H]3CCN(C)C3=O)cc2C1 ZINC000067726955 415387386 /nfs/dbraw/zinc/38/73/86/415387386.db2.gz FTTLDNUFGHGPFM-ZDUSSCGKSA-N 0 0 319.409 0.458 50 0 DCAARN NC(=O)COCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000084344213 415496127 /nfs/dbraw/zinc/49/61/27/415496127.db2.gz JBZLEWKGISWOPK-UHFFFAOYSA-N 0 0 310.734 0.259 50 0 DCAARN O=C(Nc1nn[nH]n1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000075137147 415438548 /nfs/dbraw/zinc/43/85/48/415438548.db2.gz WCZKCJBWIDQUPC-VIFPVBQESA-N 0 0 306.713 0.845 50 0 DCAARN O=C(COCc1ccccc1Cl)N1CCN(CCO)CC1 ZINC000075572595 415444508 /nfs/dbraw/zinc/44/45/08/415444508.db2.gz ASFZTCXMKSRCSH-UHFFFAOYSA-N 0 0 312.797 0.993 50 0 DCAARN O=C(CCCNc1ncccn1)N[C@@H]1CCc2nccn2C1 ZINC000075572959 415447211 /nfs/dbraw/zinc/44/72/11/415447211.db2.gz HDQCCXXNTQGNMM-GFCCVEGCSA-N 0 0 300.366 0.996 50 0 DCAARN CC(C)c1nc([C@@H]2CCCN2CCNS(C)(=O)=O)no1 ZINC000075607038 415450072 /nfs/dbraw/zinc/45/00/72/415450072.db2.gz OXOAPISXZHDOAM-JTQLQIEISA-N 0 0 302.400 0.879 50 0 DCAARN Cc1cnc2c(Cl)c(C(=O)N3CCOC[C@@H](O)C3)nn2c1 ZINC000077389924 415463132 /nfs/dbraw/zinc/46/31/32/415463132.db2.gz CUFGHUZUBVNTJQ-VIFPVBQESA-N 0 0 310.741 0.524 50 0 DCAARN Cc1nc(N(C)C)ncc1C(=O)NCc1cnn2cccnc12 ZINC000095372248 415553702 /nfs/dbraw/zinc/55/37/02/415553702.db2.gz RKNYZSMIXIJKOD-UHFFFAOYSA-N 0 0 311.349 0.824 50 0 DCAARN CC(=O)Nc1nc(C(=O)OCCCNS(C)(=O)=O)cs1 ZINC000095377414 415557787 /nfs/dbraw/zinc/55/77/87/415557787.db2.gz UOOPVXKLGMCZPN-UHFFFAOYSA-N 0 0 321.380 0.198 50 0 DCAARN CC(C)CCCN1CCN(CCO)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000095384386 415559255 /nfs/dbraw/zinc/55/92/55/415559255.db2.gz YMNQECOBNGWWLW-UONOGXRCSA-N 0 0 304.456 0.198 50 0 DCAARN CCN1CCCC[C@H]1C(=O)O[C@@H](C)c1cn(CC(=O)OC)nn1 ZINC000095943928 415563731 /nfs/dbraw/zinc/56/37/31/415563731.db2.gz MWVVTGBHYBCCMR-AAEUAGOBSA-N 0 0 324.381 0.930 50 0 DCAARN CN(CC(=O)N1CCOC(C)(C)C1)c1ncnc2nc[nH]c21 ZINC000095953882 415564764 /nfs/dbraw/zinc/56/47/64/415564764.db2.gz AWWBGRPAHSJDKU-UHFFFAOYSA-N 0 0 304.354 0.427 50 0 DCAARN Nc1n[nH]c(CCNC(=O)[C@H]2CCOc3ccccc3C2)n1 ZINC000095503806 415564803 /nfs/dbraw/zinc/56/48/03/415564803.db2.gz RALYGSDGOGYJFS-NSHDSACASA-N 0 0 301.350 0.687 50 0 DCAARN COCc1cc(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)ccc1F ZINC000095980266 415569056 /nfs/dbraw/zinc/56/90/56/415569056.db2.gz ZGLARBKBVNOSLN-NSHDSACASA-N 0 0 324.352 0.637 50 0 DCAARN Cn1cnc(S(=O)(=O)NC[C@@]2(O)CCOc3ccccc32)c1 ZINC000096026010 415570523 /nfs/dbraw/zinc/57/05/23/415570523.db2.gz GVOYKOAXYVXOKF-AWEZNQCLSA-N 0 0 323.374 0.369 50 0 DCAARN COC(=O)c1ccc(S(=O)(=O)N2Cc3cncnc3C2)cc1 ZINC000096025518 415572752 /nfs/dbraw/zinc/57/27/52/415572752.db2.gz NSEZQLZCHRSSJH-UHFFFAOYSA-N 0 0 319.342 0.968 50 0 DCAARN Cc1cccc(NC(=O)CN2NN=C3C(=O)NC(=O)[C@H]32)c1C ZINC000102906778 415602819 /nfs/dbraw/zinc/60/28/19/415602819.db2.gz YMQJXZKOIKIOOX-RYUDHWBXSA-N 0 0 301.306 0.318 50 0 DCAARN CN(C1CCCCC1)S(=O)(=O)N1CCCC[C@H]1C(N)=O ZINC000106043223 415639930 /nfs/dbraw/zinc/63/99/30/415639930.db2.gz ULBMDVPKHMYZNU-LBPRGKRZSA-N 0 0 303.428 0.836 50 0 DCAARN Cn1nc(C(=O)N2CC[NH2+]C[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000097088488 415579738 /nfs/dbraw/zinc/57/97/38/415579738.db2.gz YYMCMZWNKAFOCJ-SNVBAGLBSA-N 0 0 302.334 0.320 50 0 DCAARN Cc1ccc(C(=O)N2CCN(c3ccnc(C)n3)CC2)c(=O)[nH]1 ZINC000097115761 415588155 /nfs/dbraw/zinc/58/81/55/415588155.db2.gz LJUHZFJIIYUUMP-UHFFFAOYSA-N 0 0 313.361 0.744 50 0 DCAARN CC(C)CNC(=O)COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000102140452 415597293 /nfs/dbraw/zinc/59/72/93/415597293.db2.gz LPJVIYZOTADVHY-TXEJJXNPSA-N 0 0 324.377 0.477 50 0 DCAARN COC(=O)[C@H]1C[C@@H](N2CCN(c3ccccn3)CC2)[C@@H](O)C1 ZINC000107070841 415659240 /nfs/dbraw/zinc/65/92/40/415659240.db2.gz NUWLGYXSMBDISC-MJBXVCDLSA-N 0 0 305.378 0.516 50 0 DCAARN C[C@@H]1CN(C)CCN1C(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000107581179 415669388 /nfs/dbraw/zinc/66/93/88/415669388.db2.gz NOAPFZALBRECLN-HIFRSBDPSA-N 0 0 314.393 0.619 50 0 DCAARN Cc1c(C(=O)N2CCC[C@@H]2C(N)=O)nnn1-c1ccc(C)cc1 ZINC000112898460 415716774 /nfs/dbraw/zinc/71/67/74/415716774.db2.gz SFRBUUAGXAYGHS-CYBMUJFWSA-N 0 0 313.361 0.974 50 0 DCAARN Cc1nc(-c2ccccn2)nc(N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1C ZINC000333663273 415707128 /nfs/dbraw/zinc/70/71/28/415707128.db2.gz HLFQWQUILRCQPB-TXEJJXNPSA-N 0 0 323.356 0.864 50 0 DCAARN O=C(CN1CCCCC1=O)NCCCN1CCCCCC1=O ZINC000123125734 415837868 /nfs/dbraw/zinc/83/78/68/415837868.db2.gz VLDJMRKYMBEUIH-UHFFFAOYSA-N 0 0 309.410 0.908 50 0 DCAARN CC(C)c1noc(CCNS(=O)(=O)[C@H]2CCO[C@H]2C)n1 ZINC000135603384 415959358 /nfs/dbraw/zinc/95/93/58/415959358.db2.gz ROOBAJVLYJVBNQ-UWVGGRQHSA-N 0 0 303.384 0.832 50 0 DCAARN CCN1C[C@]2(CCCN(C(=O)Cn3nccn3)C2)CCC1=O ZINC000299783791 416067319 /nfs/dbraw/zinc/06/73/19/416067319.db2.gz YIXJBKCMIBTIFJ-HNNXBMFYSA-N 0 0 305.382 0.529 50 0 DCAARN COCc1cc(N2CC[C@H]3OCc4cnnn4[C@H]3C2)ncn1 ZINC000299784780 416068939 /nfs/dbraw/zinc/06/89/39/416068939.db2.gz PAEZMRWBAUPLMB-QWHCGFSZSA-N 0 0 302.338 0.565 50 0 DCAARN COCCCn1cnnc1CNC(=O)Cc1c(C)n[nH]c1C ZINC000299789241 416069060 /nfs/dbraw/zinc/06/90/60/416069060.db2.gz VFPZAXQBLZTLKN-UHFFFAOYSA-N 0 0 306.370 0.513 50 0 DCAARN CN(C)C1=NC2(CCN(C(=O)Cc3cccnc3)CC2)C(=O)N1 ZINC000299793179 416069064 /nfs/dbraw/zinc/06/90/64/416069064.db2.gz GWPYXWMTRVPEHC-UHFFFAOYSA-N 0 0 315.377 0.033 50 0 DCAARN Cc1cc(=O)cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)o1 ZINC000299790165 416069216 /nfs/dbraw/zinc/06/92/16/416069216.db2.gz BIYSAINQASODQO-QWHCGFSZSA-N 0 0 316.317 0.526 50 0 DCAARN COC(=O)c1cn(C2CN(C(=O)CSCC(C)C)C2)nn1 ZINC000170593241 416027839 /nfs/dbraw/zinc/02/78/39/416027839.db2.gz TYJISNVADKHQJW-UHFFFAOYSA-N 0 0 312.395 0.837 50 0 DCAARN CCN(CC)C(=O)CN1CCCN(c2ncc(F)cn2)CC1 ZINC000301760819 416092364 /nfs/dbraw/zinc/09/23/64/416092364.db2.gz GABZHNCRLDIDBM-UHFFFAOYSA-N 0 0 309.389 0.996 50 0 DCAARN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC(n2ccnc2)CC1 ZINC000192019215 416296390 /nfs/dbraw/zinc/29/63/90/416296390.db2.gz TWGDZZZSDPHJIE-NSHDSACASA-N 0 0 314.411 0.327 50 0 DCAARN Cc1noc(-c2cncnc2N2CCN(c3ncccn3)CC2)n1 ZINC000263616392 416338431 /nfs/dbraw/zinc/33/84/31/416338431.db2.gz IKPRYNLVBMTIOM-UHFFFAOYSA-N 0 0 324.348 0.952 50 0 DCAARN COc1cccc(CN2CCOC[C@H]2CO)c1OCC[NH+](C)C ZINC000215380856 416327066 /nfs/dbraw/zinc/32/70/66/416327066.db2.gz QHHAZFNCVQQGGM-OAHLLOKOSA-N 0 0 324.421 0.829 50 0 DCAARN Cc1nc(CC(C)C)cc(C(=O)N[C@H](C)c2nc(=O)[n-][nH]2)n1 ZINC000215379755 416327171 /nfs/dbraw/zinc/32/71/71/416327171.db2.gz WLCXYSRHCDXQHJ-MRVPVSSYSA-N 0 0 304.354 0.886 50 0 DCAARN Cc1ncsc1CCN(C)C(=O)CCn1ccc(=O)[nH]c1=O ZINC000216086782 416327537 /nfs/dbraw/zinc/32/75/37/416327537.db2.gz AZHKOHOCZLJTJZ-UHFFFAOYSA-N 0 0 322.390 0.393 50 0 DCAARN CCOCC(=O)N1CCC[C@@H](Oc2nccnc2N(C)C)C1 ZINC000225503299 416327739 /nfs/dbraw/zinc/32/77/39/416327739.db2.gz PLCAACAPZIRBRH-GFCCVEGCSA-N 0 0 308.382 0.949 50 0 DCAARN CC(C)CC(=O)NCCC(=O)N[C@@H](C)c1nnnn1C1CC1 ZINC000240786104 416330011 /nfs/dbraw/zinc/33/00/11/416330011.db2.gz IAKKDDHODPMTDB-JTQLQIEISA-N 0 0 308.386 0.738 50 0 DCAARN COCCC(=O)N1CCN(C(=O)Nc2ccncc2F)CC1 ZINC000241326088 416330065 /nfs/dbraw/zinc/33/00/65/416330065.db2.gz LZEGHIXQRGHPBG-UHFFFAOYSA-N 0 0 310.329 0.933 50 0 DCAARN CCc1nc2ccccc2n1CCC(=O)N(C)C[C@H](O)CO ZINC000243892743 416330340 /nfs/dbraw/zinc/33/03/40/416330340.db2.gz AKKJBMIGDJYJFC-LBPRGKRZSA-N 0 0 305.378 0.800 50 0 DCAARN CC(C)OCC(=O)N[C@H]1C[C@@H](c2nnc(CO)n2C2CC2)C1 ZINC000244633748 416330757 /nfs/dbraw/zinc/33/07/57/416330757.db2.gz GIXQWYDMCXVBQP-PHIMTYICSA-N 0 0 308.382 0.893 50 0 DCAARN CN(CC(=O)N1CCN2C(=O)OC[C@H]2C1)Cc1ccncc1 ZINC000244764095 416330948 /nfs/dbraw/zinc/33/09/48/416330948.db2.gz PBILTWLAXPTYAD-CYBMUJFWSA-N 0 0 304.350 0.176 50 0 DCAARN O=C(COCC(F)(F)F)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583619024 416480249 /nfs/dbraw/zinc/48/02/49/416480249.db2.gz VTXCRBWLKQVQNT-SNVBAGLBSA-N 0 0 308.260 0.194 50 0 DCAARN Cc1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH]c(N)n3)C2)ns1 ZINC000585131436 416519451 /nfs/dbraw/zinc/51/94/51/416519451.db2.gz VYEVJNUPIZIABC-MRVPVSSYSA-N 0 0 305.363 1.159 50 0 DCAARN Cc1noc2nc(C)cc(C(=O)NCC3N=NC(=O)N3C)c12 ZINC000585130202 416519669 /nfs/dbraw/zinc/51/96/69/416519669.db2.gz KJGKCBLHWJGNGJ-UHFFFAOYSA-N 0 0 302.294 0.604 50 0 DCAARN Cc1cc(C(=O)N2CC[C@H](c3cc(=O)[nH]c(N)n3)C2)ns1 ZINC000585131437 416520195 /nfs/dbraw/zinc/52/01/95/416520195.db2.gz VYEVJNUPIZIABC-QMMMGPOBSA-N 0 0 305.363 1.159 50 0 DCAARN Nc1n[nH]c(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)n1 ZINC000426519207 416769566 /nfs/dbraw/zinc/76/95/66/416769566.db2.gz GUTDAVPJBYRDFE-MRVPVSSYSA-N 0 0 304.285 0.268 50 0 DCAARN CCNC(=O)[C@@H](C)NC(=O)c1ccc(-c2ccnc(N)n2)cc1 ZINC000426489750 416772254 /nfs/dbraw/zinc/77/22/54/416772254.db2.gz PUIHUYNGOVQARE-SNVBAGLBSA-N 0 0 313.361 0.980 50 0 DCAARN CSCC(=O)N1CCn2nc(CNc3cnccn3)cc2C1 ZINC000426538081 416773577 /nfs/dbraw/zinc/77/35/77/416773577.db2.gz KGTHXBRROAGRIT-UHFFFAOYSA-N 0 0 318.406 0.990 50 0 DCAARN O=C(Nc1cnccn1)C1CN(c2cc(-n3ccnc3)ncn2)C1 ZINC000575607255 417538902 /nfs/dbraw/zinc/53/89/02/417538902.db2.gz AZPCIUBLSXPZSJ-UHFFFAOYSA-N 0 0 322.332 0.527 50 0 DCAARN CN1CCOC[C@H]2CCN(S(=O)(=O)c3cccnc3)C[C@H]21 ZINC000575543414 417539954 /nfs/dbraw/zinc/53/99/54/417539954.db2.gz XUSKHGLKMJVWBI-TZMCWYRMSA-N 0 0 311.407 0.423 50 0 DCAARN Cn1cc(-c2cc(CNC(=O)N3CCNC3=O)ccn2)cn1 ZINC000575618247 417542081 /nfs/dbraw/zinc/54/20/81/417542081.db2.gz KOSUGSSIBLMVRC-UHFFFAOYSA-N 0 0 300.322 0.717 50 0 DCAARN CCOc1cnc(C(=O)N2CCC[C@@H](CCC(N)=O)C2)cn1 ZINC000189014701 545919746 /nfs/dbraw/zinc/91/97/46/545919746.db2.gz DLTOYJHBTVZJDS-NSHDSACASA-N 0 0 306.366 0.993 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)COc1ccc2c(c1)CCC2 ZINC000299744303 229384450 /nfs/dbraw/zinc/38/44/50/229384450.db2.gz ODNKTWNGWCFPHO-OCCSQVGLSA-N 0 0 306.337 0.978 50 0 DCAARN Cn1c(=O)[nH]cc(CCNc2cc([C@@H]3CCOC3)ncn2)c1=O ZINC000299796777 229455418 /nfs/dbraw/zinc/45/54/18/229455418.db2.gz QNPWZISXVZNGQE-LLVKDONJSA-N 0 0 317.349 0.434 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccc3c(c2)CCCO3)C1 ZINC000299799359 229457600 /nfs/dbraw/zinc/45/76/00/229457600.db2.gz RSZHSWODBLHNJZ-LLVKDONJSA-N 0 0 324.402 0.762 50 0 DCAARN CCN(C(=O)Nc1cccc2nn(C)nc21)[C@H]1COC[C@@H]1O ZINC000097784865 262546944 /nfs/dbraw/zinc/54/69/44/262546944.db2.gz XIYANIHUSRJKGI-RYUDHWBXSA-N 0 0 305.338 0.582 50 0 DCAARN CN1CC2(CN(C(=O)CNC(=O)c3ccc(F)cc3)C2)OC1=O ZINC000496543462 272323155 /nfs/dbraw/zinc/32/31/55/272323155.db2.gz SQXYJPXQSWDNLP-UHFFFAOYSA-N 0 0 321.308 0.219 50 0 DCAARN CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCC(C)(CO)CO ZINC000497164612 272371355 /nfs/dbraw/zinc/37/13/55/272371355.db2.gz GAGYZXYMQRMNGM-SNVBAGLBSA-N 0 0 302.371 0.103 50 0 DCAARN O=C(Cn1ncc2ccccc21)NC1CCS(=O)(=O)CC1 ZINC000523302373 272556232 /nfs/dbraw/zinc/55/62/32/272556232.db2.gz NWEGKRRCUKSRTO-UHFFFAOYSA-N 0 0 307.375 0.730 50 0 DCAARN CC(C)c1nnc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000530095467 287740854 /nfs/dbraw/zinc/74/08/54/287740854.db2.gz LVLXLKZIVNXLCK-UHFFFAOYSA-N 0 0 320.378 0.457 50 0 DCAARN Cc1nc2c(c(=O)n1C)CCN(C(=O)c1csc(N)n1)CC2 ZINC000299793067 279110718 /nfs/dbraw/zinc/11/07/18/279110718.db2.gz IHRXJYAFZSKQOO-UHFFFAOYSA-N 0 0 319.390 0.368 50 0 DCAARN Cc1noc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)n1 ZINC000042703271 279253783 /nfs/dbraw/zinc/25/37/83/279253783.db2.gz ZZLVPGXVAUHUNQ-LLVKDONJSA-N 0 0 314.305 0.437 50 0 DCAARN O=C1C[C@@H](N2CCOCC2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000020500839 280268824 /nfs/dbraw/zinc/26/88/24/280268824.db2.gz RSPIIDWDCDJEIP-LLVKDONJSA-N 0 0 304.302 0.379 50 0 DCAARN CCc1nnc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1 ZINC000012533400 288653999 /nfs/dbraw/zinc/65/39/99/288653999.db2.gz QKRGVNWCLXBALZ-RKDXNWHRSA-N 0 0 320.374 0.990 50 0 DCAARN C[NH+](C)CCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100662913 289164314 /nfs/dbraw/zinc/16/43/14/289164314.db2.gz NFZZUWUUYIVLLK-UHFFFAOYSA-N 0 0 301.346 0.555 50 0 biogenic DCAARN C[NH+](C)C[C@@H]1COCCN(Cc2cnn(CCC(=O)[O-])c2)C1 ZINC000097819497 289203484 /nfs/dbraw/zinc/20/34/84/289203484.db2.gz CHDYAYAVYWGKAK-AWEZNQCLSA-N 0 0 310.398 0.368 50 0 DCAARN C[NH+](C)C[C@H]1COCCN(Cc2cnn(CCC(=O)[O-])c2)C1 ZINC000097819496 289218605 /nfs/dbraw/zinc/21/86/05/289218605.db2.gz CHDYAYAVYWGKAK-CQSZACIVSA-N 0 0 310.398 0.368 50 0 DCAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)N1CCOCC1)C(=O)N2 ZINC000000486303 289231439 /nfs/dbraw/zinc/23/14/39/289231439.db2.gz DZOGEVYEXFQKMC-JDFRZJQESA-N 0 0 316.357 0.874 50 0 DCAARN Cn1cc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cn1 ZINC000071826726 294219748 /nfs/dbraw/zinc/21/97/48/294219748.db2.gz WMQQVLPLVSWBOR-NSHDSACASA-N 0 0 304.325 0.633 50 0 DCAARN CS(=O)(=O)CCN1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000096294945 295502356 /nfs/dbraw/zinc/50/23/56/295502356.db2.gz MQADAJPRCUIWHL-FPLPWBNLSA-N 0 0 322.430 0.889 50 0 DCAARN O=C(c1cnccn1)N1CCCSC[C@@H]1CN1CCOCC1 ZINC000090609128 304597335 /nfs/dbraw/zinc/59/73/35/304597335.db2.gz SPHNMKHLRJRTIU-ZDUSSCGKSA-N 0 0 322.434 0.757 50 0 DCAARN O=C1NCCN(Cc2cc(F)ccc2-n2cccn2)[C@@H]1CCO ZINC000067741371 304672579 /nfs/dbraw/zinc/67/25/79/304672579.db2.gz MZZVFRBWHJXKIE-OAHLLOKOSA-N 0 0 318.352 0.694 50 0 DCAARN Cc1cc(C(=O)N2CC[NH2+]C[C@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000262544380 301101530 /nfs/dbraw/zinc/10/15/30/301101530.db2.gz JUDOVDAJYCETCM-MRVPVSSYSA-N 0 0 303.322 0.178 50 0 DCAARN NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000071892809 303323795 /nfs/dbraw/zinc/32/37/95/303323795.db2.gz BDTMWPSIDKIBHJ-GJZGRUSLSA-N 0 0 317.389 0.536 50 0 DCAARN [NH3+]CCCCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100662909 303375603 /nfs/dbraw/zinc/37/56/03/303375603.db2.gz DYKUSZFECPPJIK-UHFFFAOYSA-N 0 0 301.346 0.732 50 0 biogenic DCAARN CC(C)c1ccc(C(=O)N2CCN(S(N)(=O)=O)CC2)cc1 ZINC000040217732 331614983 /nfs/dbraw/zinc/61/49/83/331614983.db2.gz JIXIMCGPXZDBLM-UHFFFAOYSA-N 0 0 311.407 0.771 50 0 DCAARN NC(=O)CCNC(=O)c1ccc(I)cc1 ZINC000042418501 332242865 /nfs/dbraw/zinc/24/28/65/332242865.db2.gz LCEYOMZTBVVBAH-UHFFFAOYSA-N 0 0 318.114 0.896 50 0 DCAARN CCn1cc(NC(=O)[C@H]2COCCN2CC(F)F)ccc1=O ZINC000187306153 333230686 /nfs/dbraw/zinc/23/06/86/333230686.db2.gz HEZSMEJEVJNJHD-LLVKDONJSA-N 0 0 315.320 0.773 50 0 DCAARN CCc1csc(CCNC(=O)[C@H]2CCS(=O)(=O)C2)n1 ZINC000299761209 334257880 /nfs/dbraw/zinc/25/78/80/334257880.db2.gz WXEXZJKPGYJZRB-VIFPVBQESA-N 0 0 302.421 0.799 50 0 DCAARN COCC(C)(C)NC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000534583093 334289649 /nfs/dbraw/zinc/28/96/49/334289649.db2.gz JOHWXTCFABVJHG-LBPRGKRZSA-N 0 0 309.366 0.513 50 0 DCAARN NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)COCC(F)(F)C(F)F ZINC000534592760 334294757 /nfs/dbraw/zinc/29/47/57/334294757.db2.gz OLXJDMSPNVIBBQ-HTQZYQBOSA-N 0 0 312.263 0.840 50 0 DCAARN COCc1noc(CNC(=O)c2c3c(nn2C)CCCC3)n1 ZINC000534644783 334306799 /nfs/dbraw/zinc/30/67/99/334306799.db2.gz KZEULDXJQZQLKS-UHFFFAOYSA-N 0 0 305.338 0.758 50 0 DCAARN Cc1ccc(-c2noc(CCNC(=O)Cn3nccn3)n2)cc1 ZINC000534636993 334309773 /nfs/dbraw/zinc/30/97/73/334309773.db2.gz VOZDHHWRBBYIMC-UHFFFAOYSA-N 0 0 312.333 0.995 50 0 DCAARN O=C(Cn1nccn1)NC[C@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000534647197 334315941 /nfs/dbraw/zinc/31/59/41/334315941.db2.gz CASLEVZCMJTVQE-IXUJDMMCSA-N 0 0 304.394 0.972 50 0 DCAARN COC[C@@H](NC(=O)N(C)CCn1ccnc1C)c1ccnn1C ZINC000534673834 334321385 /nfs/dbraw/zinc/32/13/85/334321385.db2.gz YOFWTPPICAWQIY-CYBMUJFWSA-N 0 0 320.397 0.954 50 0 DCAARN CCc1nc(C)c(CNS(=O)(=O)N2CCN(C)CC2)s1 ZINC000534662758 334322590 /nfs/dbraw/zinc/32/25/90/334322590.db2.gz KMUOVDUUILUAPU-UHFFFAOYSA-N 0 0 318.468 0.596 50 0 DCAARN Cc1noc(C)c1CCC(=O)N1CCN(c2nc[nH]n2)CC1 ZINC000299788386 534336491 /nfs/dbraw/zinc/33/64/91/534336491.db2.gz SCQASEFYAJDHBM-UHFFFAOYSA-N 0 0 304.354 0.691 50 0 DCAARN COC(=O)c1ncn(C[C@H](O)c2ccc3c(c2)OCO3)c1CO ZINC000409444186 534363295 /nfs/dbraw/zinc/36/32/95/534363295.db2.gz QUYUVJPQTSYWLN-NSHDSACASA-N 0 0 320.301 0.624 50 0 DCAARN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1F ZINC000131485122 525577093 /nfs/dbraw/zinc/57/70/93/525577093.db2.gz CTHDBFLQUPSCSY-BXKDBHETSA-N 0 0 316.354 0.445 50 0 DCAARN CCOCCC(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2 ZINC000299780728 528594450 /nfs/dbraw/zinc/59/44/50/528594450.db2.gz CHUUZYZQJVIZKF-UHFFFAOYSA-N 0 0 322.409 0.924 50 0 DCAARN COc1nccnc1N1CC[C@@H](N(C)S(=O)(=O)C2CC2)C1 ZINC000065269053 545659679 /nfs/dbraw/zinc/65/96/79/545659679.db2.gz KEVIUCLYTRNYEA-SNVBAGLBSA-N 0 0 312.395 0.488 50 0 DCAARN COCCOC(=O)NCc1cc2n(n1)CCCN(C(C)=O)C2 ZINC000082091214 545696679 /nfs/dbraw/zinc/69/66/79/545696679.db2.gz GHBZCUKLRDJILS-UHFFFAOYSA-N 0 0 310.354 0.508 50 0 DCAARN O=C([C@H]1CC(=O)N(c2nccs2)C1)N1CCc2n[nH]cc2C1 ZINC000084618216 545702951 /nfs/dbraw/zinc/70/29/51/545702951.db2.gz QOWKGYZUQQLSQM-VIFPVBQESA-N 0 0 317.374 0.804 50 0 DCAARN O=C(CN1C(=O)CCC1=O)N1CCN(Cc2ccoc2)CC1 ZINC000092147865 545722780 /nfs/dbraw/zinc/72/27/80/545722780.db2.gz VJRBXEDADFTPRK-UHFFFAOYSA-N 0 0 305.334 0.073 50 0 DCAARN CN1Cc2ccccc2C[C@@H]1CNC(=O)c1nc2ncccn2n1 ZINC000215876700 545939046 /nfs/dbraw/zinc/93/90/46/545939046.db2.gz GEBJMTQXJUNWBL-CQSZACIVSA-N 0 0 322.372 0.911 50 0 DCAARN CN(C[C@H]1Cc2ccccc2O1)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000215885629 545939068 /nfs/dbraw/zinc/93/90/68/545939068.db2.gz GSBMTJRBLOSMMZ-LLVKDONJSA-N 0 0 315.329 0.149 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CC(Oc2ccccc2F)C1 ZINC000215924139 545939122 /nfs/dbraw/zinc/93/91/22/545939122.db2.gz ZIUVQBFSEDUVFJ-JTQLQIEISA-N 0 0 307.281 0.013 50 0 DCAARN CC[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc21)c1ncnn1C ZINC000222598616 545941787 /nfs/dbraw/zinc/94/17/87/545941787.db2.gz PCNVZNGPUODRJS-LLVKDONJSA-N 0 0 312.333 0.933 50 0 DCAARN CNC(=O)c1ccc(CNC(=O)CN(C)Cc2cccnc2)o1 ZINC000222710336 545942416 /nfs/dbraw/zinc/94/24/16/545942416.db2.gz NZKPUOFVEGJGIE-UHFFFAOYSA-N 0 0 316.361 0.782 50 0 DCAARN O=C(CNC(=O)c1ccccc1)N1CC[C@H](c2ncon2)C1 ZINC000238845322 545960363 /nfs/dbraw/zinc/96/03/63/545960363.db2.gz IEEQAOPVOBVGNV-LBPRGKRZSA-N 0 0 300.318 0.816 50 0 DCAARN O=C(NCCn1ccc2ccoc2c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000238821578 545960571 /nfs/dbraw/zinc/96/05/71/545960571.db2.gz CTQPZJLZFYHVHV-NSHDSACASA-N 0 0 324.358 0.145 50 0 DCAARN CCn1cc(CNC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cn1 ZINC000332891121 546065387 /nfs/dbraw/zinc/06/53/87/546065387.db2.gz UEPQQZHFWACTCI-KFWWJZLASA-N 0 0 322.409 0.974 50 0 DCAARN CCN1CCOC[C@@H]1C(=O)N1CCN(c2nccnc2C)CC1 ZINC000333131619 546072860 /nfs/dbraw/zinc/07/28/60/546072860.db2.gz WWFQSIIVOJCWID-CQSZACIVSA-N 0 0 319.409 0.154 50 0 DCAARN CCCn1cnnc1CNS(=O)(=O)N1CCC[C@H]1COC ZINC000670446518 547095219 /nfs/dbraw/zinc/09/52/19/547095219.db2.gz XYSHECMQMUJBAX-NSHDSACASA-N 0 0 317.415 0.133 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)CNS(C)(=O)=O)cc2c1 ZINC000670450097 547096516 /nfs/dbraw/zinc/09/65/16/547096516.db2.gz WEYBJJAAAOMDKH-UHFFFAOYSA-N 0 0 311.363 0.342 50 0 DCAARN CC(=O)N1CCN(c2nc(C)c3c(n2)CCCC3)C[C@@H](O)C1 ZINC000670451572 547096579 /nfs/dbraw/zinc/09/65/79/547096579.db2.gz GXENFMBKSCUNQC-ZDUSSCGKSA-N 0 0 304.394 0.693 50 0 DCAARN O=C(c1cccc2c1CCC2=O)N1C[C@H](CO)C[C@H](CO)C1 ZINC000670456732 547097815 /nfs/dbraw/zinc/09/78/15/547097815.db2.gz YQSVSBKKCSWSSV-TXEJJXNPSA-N 0 0 303.358 0.878 50 0 DCAARN CNC(=O)C[C@H]1CCN(C(=O)CCN2CCCCCC2=O)C1 ZINC000670462628 547098596 /nfs/dbraw/zinc/09/85/96/547098596.db2.gz XSGNHMZUYSQGMT-CYBMUJFWSA-N 0 0 309.410 0.764 50 0 DCAARN CN1CC2(CCN(C(=O)CCc3ccncc3)CC2)OCC1=O ZINC000670461860 547099535 /nfs/dbraw/zinc/09/95/35/547099535.db2.gz ZBSFCEPMWZAPMK-UHFFFAOYSA-N 0 0 317.389 0.864 50 0 DCAARN CN(Cc1nncn1C)Cc1ccc(OCC(N)=O)c(Cl)c1 ZINC000670473029 547102037 /nfs/dbraw/zinc/10/20/37/547102037.db2.gz PNSNLLFCXHOMPX-UHFFFAOYSA-N 0 0 323.784 0.965 50 0 DCAARN Cc1nc(CN2CC(N3C[C@H](C(=O)N(C)C)CC3=O)C2)[nH]c1C ZINC000685941168 548746760 /nfs/dbraw/zinc/74/67/60/548746760.db2.gz UIDLIIHOXNDPBU-GFCCVEGCSA-N 0 0 319.409 0.147 50 0 DCAARN Cc1noc([C@@H]2CN(C3CN(Cc4cccn4C)C3)CCO2)n1 ZINC000685941191 548747202 /nfs/dbraw/zinc/74/72/02/548747202.db2.gz UPQDTQVEWCFOSG-HNNXBMFYSA-N 0 0 317.393 0.974 50 0 DCAARN COCC(C)(C)CC(=O)NC[C@H]1C[C@H](c2nncn2C)C[C@H]1O ZINC000685941909 548747220 /nfs/dbraw/zinc/74/72/20/548747220.db2.gz JGFFBQYSWJFHDU-YNEHKIRRSA-N 0 0 324.425 0.849 50 0 DCAARN CCc1ccc(C(=O)N2CC(N3C[C@H](C(=O)NC)CC3=O)C2)o1 ZINC000685943343 548748406 /nfs/dbraw/zinc/74/84/06/548748406.db2.gz ZMERBIKYTUTMQU-SNVBAGLBSA-N 0 0 319.361 0.261 50 0 DCAARN C[C@H]1CN(c2nnnn2C[C@H]2CSCCS2)CCO1 ZINC000685945105 548749285 /nfs/dbraw/zinc/74/92/85/548749285.db2.gz UZOSECBSCPTMPV-UWVGGRQHSA-N 0 0 301.441 0.747 50 0 DCAARN Cn1cc(C(=O)NC[C@@](C)(O)c2ccc3c(c2)OCO3)nn1 ZINC000206703983 563635439 /nfs/dbraw/zinc/63/54/39/563635439.db2.gz GIIWWWJDYTWFGR-CQSZACIVSA-N 0 0 304.306 0.181 50 0 DCAARN Cc1ccccc1[C@@H]1NC(=O)N(C[C@@H](O)Cn2cccn2)C1=O ZINC000888097566 661176962 /nfs/dbraw/zinc/17/69/62/661176962.db2.gz RUAFAPFDWUSZBT-JSGCOSHPSA-N 0 0 314.345 0.846 50 0 DCAARN NC(=O)C12CC(C1)CN2C(=O)c1cccc(Cn2cncn2)c1 ZINC000888100603 661178937 /nfs/dbraw/zinc/17/89/37/661178937.db2.gz QJYGEJRYFIPKLU-UHFFFAOYSA-N 0 0 311.345 0.416 50 0 DCAARN CCCC[C@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)NC ZINC000585088586 661465415 /nfs/dbraw/zinc/46/54/15/661465415.db2.gz BVPLHPCVOZFJPV-RYUDHWBXSA-N 0 0 318.439 0.574 50 0 DCAARN Cc1cc(C)nc(CCNC(=O)[C@H](C)N2CCN(C)CC2)n1 ZINC000426647395 661688636 /nfs/dbraw/zinc/68/86/36/661688636.db2.gz WEPGJMBMZIZFPI-AWEZNQCLSA-N 0 0 305.426 0.388 50 0 DCAARN O=C([O-])c1c2c(sc1S(=O)(=O)NC1CC1)C[NH2+]CC2 ZINC000067785356 662887167 /nfs/dbraw/zinc/88/71/67/662887167.db2.gz BKWZBEFNXIPJJU-UHFFFAOYSA-N 0 0 302.377 0.533 50 0 DCAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccnc1)N1CCCCO1 ZINC000055359063 664370370 /nfs/dbraw/zinc/37/03/70/664370370.db2.gz XYWLOZUEDOWYQT-CQSZACIVSA-N 0 0 318.377 0.326 50 0 DCAARN COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]cn3)NC2=O)cc1 ZINC000034244973 666242177 /nfs/dbraw/zinc/24/21/77/666242177.db2.gz DHLYTKWPULTDTC-KBPBESRZSA-N 0 0 314.345 0.187 50 0 DCAARN CC(C)CO[C@@H](C)C(=O)NCCn1cnc2c1ncnc2N ZINC000862975034 667104966 /nfs/dbraw/zinc/10/49/66/667104966.db2.gz ICRMHBZIXHSGJP-JTQLQIEISA-N 0 0 306.370 0.586 50 0 DCAARN C[C@@H]1CC[C@H](NC(=O)NCCc2cnccn2)CS1(=O)=O ZINC000853958866 670508780 /nfs/dbraw/zinc/50/87/80/670508780.db2.gz AOOVFTCZYAGWLM-PWSUYJOCSA-N 0 0 312.395 0.284 50 0 DCAARN Cc1ccccc1OC[C@@H](O)C(=O)NCCCn1ccnn1 ZINC000952965420 685597894 /nfs/dbraw/zinc/59/78/94/685597894.db2.gz RREXZBHMHOCXNT-CYBMUJFWSA-N 0 0 304.350 0.533 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)N1CCN2C(=O)OC[C@@H]2C1 ZINC000952971838 685599771 /nfs/dbraw/zinc/59/97/71/685599771.db2.gz MOIVIPHLHVDDAW-JTQLQIEISA-N 0 0 317.301 0.258 50 0 DCAARN NC(=O)CN1CCC[C@H](C(=O)N(Cc2nccs2)C2CC2)C1 ZINC000952975021 685599819 /nfs/dbraw/zinc/59/98/19/685599819.db2.gz XVGWAWAFQTUQPM-NSHDSACASA-N 0 0 322.434 0.831 50 0 DCAARN Cn1cncc1C(=O)NC[C@H]1CCCN(c2cnccn2)C1 ZINC000952978714 685601167 /nfs/dbraw/zinc/60/11/67/685601167.db2.gz ZHLMNWNPHYZTOT-GFCCVEGCSA-N 0 0 300.366 0.857 50 0 DCAARN O=C(CCCc1nc(-c2ccncc2)no1)N1C[C@@H](O)[C@H](F)C1 ZINC000952983080 685601870 /nfs/dbraw/zinc/60/18/70/685601870.db2.gz UORKFMAISZSSOH-VXGBXAGGSA-N 0 0 320.324 0.996 50 0 DCAARN O=C(NC[C@H]1CCCN(c2cc(=O)[nH]cn2)C1)c1cnccn1 ZINC000952982327 685601979 /nfs/dbraw/zinc/60/19/79/685601979.db2.gz GSZQTCRCNKDZPV-LLVKDONJSA-N 0 0 314.349 0.619 50 0 DCAARN COc1cccc(NC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)n1 ZINC000952995423 685603420 /nfs/dbraw/zinc/60/34/20/685603420.db2.gz LSRIUOGDJUUZAW-GFCCVEGCSA-N 0 0 307.398 0.848 50 0 DCAARN C[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cc(F)cc(F)c3)CCN2C1=O ZINC000014748654 685049156 /nfs/dbraw/zinc/04/91/56/685049156.db2.gz RFESVOSMIPASGM-QPUJVOFHSA-N 0 0 323.299 0.136 50 0 DCAARN Cc1nonc1CN(C)c1ncc(C)c(-c2ncnn2C)n1 ZINC000023478938 685052352 /nfs/dbraw/zinc/05/23/52/685052352.db2.gz SVOPNMOCTIKTGO-UHFFFAOYSA-N 0 0 300.326 0.908 50 0 DCAARN O[C@@H](COc1cccc(CN2CCCO2)c1)CN1CCOCC1 ZINC000020998285 685053074 /nfs/dbraw/zinc/05/30/74/685053074.db2.gz YNMBOKLANURCKO-MRXNPFEDSA-N 0 0 322.405 0.896 50 0 DCAARN O=C(Cn1cccn1)N1CC(c2nc(-c3ncccn3)no2)C1 ZINC000049483024 685059940 /nfs/dbraw/zinc/05/99/40/685059940.db2.gz CVSBWEGTOQOZEK-UHFFFAOYSA-N 0 0 311.305 0.349 50 0 DCAARN COc1nc(N2CCC3(CC2)C(=O)N(C)C(=O)N3C)ncc1F ZINC001772708323 1157844758 /nfs/dbraw/zinc/84/47/58/1157844758.db2.gz ANXQGCNSPWNSFP-UHFFFAOYSA-N 0 0 323.328 0.487 50 0 DCAARN C[C@H]1C(=O)N2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1 ZINC001772711052 1157847772 /nfs/dbraw/zinc/84/77/72/1157847772.db2.gz YFYKINKOVWKDGN-WCQYABFASA-N 0 0 301.346 0.847 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3csc(N)n3)C[C@@H]2O)on1 ZINC001704301283 1179965876 /nfs/dbraw/zinc/96/58/76/1179965876.db2.gz SWUYBFLNSBNEQY-KCJUWKMLSA-N 0 0 308.363 0.697 50 0 DCAARN O=C([C@H]1CC[C@@H](O)CC1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 ZINC001704313282 1179969992 /nfs/dbraw/zinc/96/99/92/1179969992.db2.gz JQSRSBMHAYNLDA-WCVJEAGWSA-N 0 0 304.390 0.995 50 0 DCAARN Cc1ccc(CN2C[C@H]3COC[C@@H]2C[N@H+](CC(=O)[O-])C3)nc1 ZINC001704329712 1179974926 /nfs/dbraw/zinc/97/49/26/1179974926.db2.gz BOSPICVKWKSGAF-ZFWWWQNUSA-N 0 0 305.378 0.607 50 0 DCAARN Cn1cccc1C(=O)C(=O)N1C[C@@H](Cc2ccccn2)[C@H](O)C1 ZINC001704337130 1179977682 /nfs/dbraw/zinc/97/76/82/1179977682.db2.gz WARHPNZRRQUZNZ-IUODEOHRSA-N 0 0 313.357 0.665 50 0 DCAARN COc1cc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)ccn1 ZINC001704350210 1179983308 /nfs/dbraw/zinc/98/33/08/1179983308.db2.gz GOEBUTMAXQZYNB-TZMCWYRMSA-N 0 0 314.345 0.556 50 0 DCAARN CCCC1(CNC(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)CCC1 ZINC001704351213 1179983526 /nfs/dbraw/zinc/98/35/26/1179983526.db2.gz UMSRAFKBSYUHIQ-NSHDSACASA-N 0 0 320.393 0.688 50 0 DCAARN CCCCCOCC(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC000584908136 747671885 /nfs/dbraw/zinc/67/18/85/747671885.db2.gz GLJGDYIDXKWYMT-LBPRGKRZSA-N 0 0 306.428 0.863 50 0 DCAARN COCCC(=O)N1CCC[C@H](OCc2noc(COC)n2)C1 ZINC000675017574 748026252 /nfs/dbraw/zinc/02/62/52/748026252.db2.gz WUHWEBAGYOZEMO-NSHDSACASA-N 0 0 313.354 0.760 50 0 DCAARN CC(C)Cc1nnc(C[C@@H]2CCN(S(=O)(=O)N(C)C)C2)o1 ZINC000675017910 748026842 /nfs/dbraw/zinc/02/68/42/748026842.db2.gz JBTDJUQLKXYFFQ-NSHDSACASA-N 0 0 316.427 0.939 50 0 DCAARN CN(C)S(=O)(=O)N1CC(Cc2nc(-c3cccnc3)no2)C1 ZINC000675021303 748027756 /nfs/dbraw/zinc/02/77/56/748027756.db2.gz ZWKLMEIZRGSFRE-UHFFFAOYSA-N 0 0 323.378 0.412 50 0 DCAARN COC(=O)c1c(C)nn(C)c1NC(=O)COC[C@@H]1CCCO1 ZINC000585126163 748530889 /nfs/dbraw/zinc/53/08/89/748530889.db2.gz QRHCVTXHPITCBP-JTQLQIEISA-N 0 0 311.338 0.649 50 0 DCAARN Cc1nc(CCNC(=O)[C@H](C)Cn2cncn2)nc2c1CCC2 ZINC000820632064 758149012 /nfs/dbraw/zinc/14/90/12/758149012.db2.gz WUXIHOQAYKAKRH-LLVKDONJSA-N 0 0 314.393 0.860 50 0 DCAARN COCCn1cnnc1[C@@H](C)NC(=O)Cc1sc(N)nc1C ZINC000822280902 758190427 /nfs/dbraw/zinc/19/04/27/758190427.db2.gz DSEWMPRLBCDLDO-SECBINFHSA-N 0 0 324.410 0.692 50 0 DCAARN CCCC[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1cnn(C)c1 ZINC000822831065 758209662 /nfs/dbraw/zinc/20/96/62/758209662.db2.gz HMHKVBGALFSJCT-GFCCVEGCSA-N 0 0 314.411 0.442 50 0 DCAARN CCCn1cc(S(=O)(=O)N2CCN3C(=O)OC[C@H]3C2)cn1 ZINC000823033040 758218586 /nfs/dbraw/zinc/21/85/86/758218586.db2.gz IMWWAFHCLXHMAM-SNVBAGLBSA-N 0 0 314.367 0.118 50 0 DCAARN CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)N(C)C(C)C)CC1 ZINC000823830728 758279415 /nfs/dbraw/zinc/27/94/15/758279415.db2.gz YLNJUOPUBPVNIC-HAQNSBGRSA-N 0 0 305.444 0.713 50 0 DCAARN CO[C@H]1COC[C@@H]1NC(=O)c1cc2ccccc2n(C)c1=O ZINC000824506345 758778225 /nfs/dbraw/zinc/77/82/25/758778225.db2.gz CTEHYXMDVFNGHQ-JSGCOSHPSA-N 0 0 302.330 0.682 50 0 DCAARN CSCC(=O)N1CCC(CNC(=O)c2cncn2C)CC1 ZINC000824881438 758790685 /nfs/dbraw/zinc/79/06/85/758790685.db2.gz UFJGRRVDJWGGLC-UHFFFAOYSA-N 0 0 310.423 0.752 50 0 DCAARN CC(C)C1=NO[C@@H](C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000827791965 758882370 /nfs/dbraw/zinc/88/23/70/758882370.db2.gz MTZDIMACCIIXIO-CYBMUJFWSA-N 0 0 304.350 0.729 50 0 DCAARN Cc1nnc(SCCNC(=O)CCCS(N)(=O)=O)s1 ZINC000827815961 758885993 /nfs/dbraw/zinc/88/59/93/758885993.db2.gz FNQUQZFKIHBTQW-UHFFFAOYSA-N 0 0 324.453 0.124 50 0 DCAARN CS(=O)(=O)CCC(=O)NCCCn1ncc2ccccc21 ZINC000827819945 758886591 /nfs/dbraw/zinc/88/65/91/758886591.db2.gz KERXZBBKTBJUAE-UHFFFAOYSA-N 0 0 309.391 0.977 50 0 DCAARN CCn1ccc(C(=O)N2CC[C@@H](CC(=O)N3CCOCC3)C2)n1 ZINC000581783125 760249592 /nfs/dbraw/zinc/24/95/92/760249592.db2.gz PDSKBJWPKFUFIN-ZDUSSCGKSA-N 0 0 320.393 0.614 50 0 DCAARN O=C(NCC1CC1)c1cn(C2CN(C(=O)C3CCC3)C2)nn1 ZINC000581810785 760254860 /nfs/dbraw/zinc/25/48/60/760254860.db2.gz YASMHOWHFWXSNV-UHFFFAOYSA-N 0 0 303.366 0.601 50 0 DCAARN CN(c1ncc(Cl)cn1)C1CN(c2ccc3nncn3n2)C1 ZINC000585592860 768081484 /nfs/dbraw/zinc/08/14/84/768081484.db2.gz VYEXPUNAOSLHMH-UHFFFAOYSA-N 0 0 316.756 0.893 50 0 DCAARN NC(=O)c1ccc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)cc1 ZINC000585087576 766274451 /nfs/dbraw/zinc/27/44/51/766274451.db2.gz NQFNFBRGCBTRKN-AGIUHOORSA-N 0 0 300.318 0.086 50 0 DCAARN CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@@H]1Cc2cncn2C1 ZINC000585087685 766275308 /nfs/dbraw/zinc/27/53/08/766275308.db2.gz GUKSTFAXWSILBS-ZYHUDNBSSA-N 0 0 306.366 0.933 50 0 DCAARN Cc1csc(NCCNS(=O)(=O)N2CCCCC2)n1 ZINC000585115308 766284268 /nfs/dbraw/zinc/28/42/68/766284268.db2.gz VQWDMNKAIMGXFI-UHFFFAOYSA-N 0 0 304.441 1.184 50 0 DCAARN O=S(=O)(CC=C(Cl)Cl)N[C@H]1CCCS(=O)(=O)C1 ZINC000585115821 766285029 /nfs/dbraw/zinc/28/50/29/766285029.db2.gz UPJBNPWVGLPLLQ-ZETCQYMHSA-N 0 0 322.235 0.802 50 0 DCAARN COC(=O)c1ccc(NC(=O)COC[C@H]2CCCO2)c(=O)[nH]1 ZINC000585124656 766288160 /nfs/dbraw/zinc/28/81/60/766288160.db2.gz LJDWNNJTYZHZID-SECBINFHSA-N 0 0 310.306 0.708 50 0 DCAARN C[C@]1(C(=O)NCC[S@@](=O)C(F)(F)F)CCC(=O)NC1 ZINC000585128162 766290391 /nfs/dbraw/zinc/29/03/91/766290391.db2.gz UJHVKKGOLNACRI-ZRNGKTOUSA-N 0 0 300.302 0.287 50 0 DCAARN Cn1c(=O)[nH]c2[nH]c(N3CCC[C@@H](c4cc[nH]n4)C3)nc2c1=O ZINC000952880449 768946913 /nfs/dbraw/zinc/94/69/13/768946913.db2.gz BGUUSSQJPLZFOE-MRVPVSSYSA-N 0 0 315.337 0.469 50 0 DCAARN O=C(CN1CCCC1=O)N[C@H]1COC[C@H]1Cc1ccncc1 ZINC001529092743 1014493308 /nfs/dbraw/zinc/49/33/08/1014493308.db2.gz XQSUGDXYYXCPRU-KGLIPLIRSA-N 0 0 303.362 0.378 50 0 DCAARN CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1O ZINC001529111930 1014497170 /nfs/dbraw/zinc/49/71/70/1014497170.db2.gz AYLNCYMJYXCWAR-QWHCGFSZSA-N 0 0 312.391 0.011 50 0 DCAARN Nc1nc(NC[C@H]2CC(=O)N(C3CCCC3)C2)cc2nncn21 ZINC001529152239 1014507646 /nfs/dbraw/zinc/50/76/46/1014507646.db2.gz QLPQUODLICZNFP-SNVBAGLBSA-N 0 0 315.381 0.910 50 0 DCAARN Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CC(O)C2)OCC(=O)N1C ZINC001529155436 1014508992 /nfs/dbraw/zinc/50/89/92/1014508992.db2.gz SKOATIVZJIAZAU-CABCVRRESA-N 0 0 304.346 0.096 50 0 DCAARN CCN(CCO)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1C ZINC001529173556 1014513002 /nfs/dbraw/zinc/51/30/02/1014513002.db2.gz LRLYJIIJYVODFO-CVEARBPZSA-N 0 0 320.389 0.734 50 0 DCAARN C[C@@H]1CN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)C[C@H](C)O1 ZINC001529198870 1014519983 /nfs/dbraw/zinc/51/99/83/1014519983.db2.gz MUYNWYYQYANCSW-KOZAUXTDSA-N 0 0 318.373 0.879 50 0 DCAARN O=C(CNC(=O)c1ccccc1)N1CCNC(=O)C12CCCC2 ZINC001506397648 1017253252 /nfs/dbraw/zinc/25/32/52/1017253252.db2.gz VHPVPSFMOVPHAG-UHFFFAOYSA-N 0 0 315.373 0.688 50 0 DCAARN C[C@H](CN(C)C(=O)c1nnc2n1CCCCC2)N1CCOCC1 ZINC001506400831 1017256591 /nfs/dbraw/zinc/25/65/91/1017256591.db2.gz AFSZTYGIIPVQKC-CYBMUJFWSA-N 0 0 321.425 0.797 50 0 DCAARN CCc1nn(C)c(NC(=O)C[C@@H]2C(=O)NCCN2CC)c1CC ZINC001506417696 1017262964 /nfs/dbraw/zinc/26/29/64/1017262964.db2.gz KSJVPQHRRUZFTK-CYBMUJFWSA-N 0 0 321.425 0.694 50 0 DCAARN COCCc1noc(CN(C)c2nc(OC)cc(OC)n2)n1 ZINC001506418494 1017263317 /nfs/dbraw/zinc/26/33/17/1017263317.db2.gz ZEPSDYFZCRQORX-UHFFFAOYSA-N 0 0 309.326 0.702 50 0 DCAARN O=C1NC(=S)NC(=O)C1=CNNc1cccc([N+](=O)[O-])c1 ZINC000095471029 185372739 /nfs/dbraw/zinc/37/27/39/185372739.db2.gz IDYLBLUVMZNEGC-UHFFFAOYSA-N 0 0 307.291 0.766 50 0 DCAARN O=C(C[C@H]1CC(=O)Oc2ccccc21)NCCN1CCOCC1 ZINC000095473081 185373014 /nfs/dbraw/zinc/37/30/14/185373014.db2.gz AGLQIDHTKFBKBA-ZDUSSCGKSA-N 0 0 318.373 0.918 50 0 DCAARN COc1ccc(N2CCC[C@@H](C(=O)Nc3nc[nH]n3)C2)nn1 ZINC000095479949 185373691 /nfs/dbraw/zinc/37/36/91/185373691.db2.gz WHWBMBQLCBMBPK-SECBINFHSA-N 0 0 303.326 0.458 50 0 DCAARN COc1cccc([C@H]2CCN2C(=O)CN2C(=O)CCNC2=O)c1 ZINC000095524304 185377827 /nfs/dbraw/zinc/37/78/27/185377827.db2.gz CUIJHVKSRPIBSY-CYBMUJFWSA-N 0 0 317.345 0.911 50 0 DCAARN Cc1cc(C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)no1 ZINC000078901288 185126254 /nfs/dbraw/zinc/12/62/54/185126254.db2.gz LECIPDUAYYNMQK-SECBINFHSA-N 0 0 303.322 0.825 50 0 DCAARN CCn1nc(C)cc1C(=O)N1CCN(Cc2noc(C)n2)CC1 ZINC000079001587 185144592 /nfs/dbraw/zinc/14/45/92/185144592.db2.gz PSRXRMFWISVTLS-UHFFFAOYSA-N 0 0 318.381 0.861 50 0 DCAARN Nc1cc(N2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)ncn1 ZINC000082161154 185173957 /nfs/dbraw/zinc/17/39/57/185173957.db2.gz RODUHNYFUPKHPR-INIZCTEOSA-N 0 0 319.409 0.650 50 0 DCAARN Cc1nc(C)c(CC(=O)N(C)Cc2nncn2C(C)C)c(=O)[nH]1 ZINC000082170833 185174390 /nfs/dbraw/zinc/17/43/90/185174390.db2.gz YCIWGPHSFHSVBL-UHFFFAOYSA-N 0 0 318.381 0.760 50 0 DCAARN O=C(c1ccc(=O)[nH]c1)N1CCC[C@H](Oc2cccnn2)C1 ZINC000225451325 201711700 /nfs/dbraw/zinc/71/17/00/201711700.db2.gz JYLZBFZLEVLJIR-LBPRGKRZSA-N 0 0 300.318 0.849 50 0 DCAARN CCOC[C@@H](C(=O)OC)N(C)CCn1c(C)csc1=O ZINC000089986661 185275022 /nfs/dbraw/zinc/27/50/22/185275022.db2.gz GGRGXMGOVOUHDN-NSHDSACASA-N 0 0 302.396 0.728 50 0 DCAARN CCCn1nc(C(=O)N[C@@H](C)c2nnc3n2CCC3)ccc1=O ZINC000089960613 185271955 /nfs/dbraw/zinc/27/19/55/185271955.db2.gz UHUKFPSICDEDNM-JTQLQIEISA-N 0 0 316.365 0.682 50 0 DCAARN C[C@H](CNC(=O)Cn1cnnn1)c1nc(-c2ccccc2)no1 ZINC000090013609 185278029 /nfs/dbraw/zinc/27/80/29/185278029.db2.gz RTAWQHKBLOYMIN-SNVBAGLBSA-N 0 0 313.321 0.643 50 0 DCAARN CN(C)c1ccc([C@H](O)CNC(=O)C(=O)Nc2ccon2)cc1 ZINC000090611893 185306721 /nfs/dbraw/zinc/30/67/21/185306721.db2.gz YXOQYLAWPCFMKD-GFCCVEGCSA-N 0 0 318.333 0.529 50 0 DCAARN CN(C)[C@H](CNC(=O)C(=O)Nc1ccon1)c1cccn1C ZINC000011898910 282236653 /nfs/dbraw/zinc/23/66/53/282236653.db2.gz HDPIYONBQJMKIE-LLVKDONJSA-N 0 0 305.338 0.371 50 0 DCAARN O=C(c1ccc(Cl)cc1O)N1CC[C@@]2(CC(=O)NC2=O)C1 ZINC000082109630 192358119 /nfs/dbraw/zinc/35/81/19/192358119.db2.gz REQZYDSXMOFRGL-CQSZACIVSA-N 0 0 308.721 0.924 50 0 DCAARN C[C@@H]1C[C@@H](OC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C(=O)O1 ZINC000095393020 185351830 /nfs/dbraw/zinc/35/18/30/185351830.db2.gz WWAUVLAYXACZBH-WISYIIOYSA-N 0 0 323.345 0.799 50 0 DCAARN COc1ccc(Cc2nnnn2CCn2cncn2)cc1F ZINC000095401596 185354739 /nfs/dbraw/zinc/35/47/39/185354739.db2.gz VZNYGKWVUUUKFG-UHFFFAOYSA-N 0 0 303.301 0.703 50 0 DCAARN C[C@H](CCn1cncn1)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000095408082 185356484 /nfs/dbraw/zinc/35/64/84/185356484.db2.gz BOYJTNNNLLPPRL-TZMCWYRMSA-N 0 0 319.409 0.822 50 0 DCAARN CCc1ccc(CNCCS(=O)(=O)N2CCOCC2)o1 ZINC000095415457 185358706 /nfs/dbraw/zinc/35/87/06/185358706.db2.gz YMXKGCXNOPNIRZ-UHFFFAOYSA-N 0 0 302.396 0.594 50 0 DCAARN CCCc1nn([C@H]2CCCN(c3cnn(C)c3)C2=O)c(=O)o1 ZINC000095416457 185359042 /nfs/dbraw/zinc/35/90/42/185359042.db2.gz YEWMFOILBWLIFH-NSHDSACASA-N 0 0 305.338 0.890 50 0 DCAARN C/C=C/C[S@@](=O)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000095417645 185359259 /nfs/dbraw/zinc/35/92/59/185359259.db2.gz JWOQHTMMVRLFEA-BLXFMOTFSA-N 0 0 300.424 0.828 50 0 DCAARN O=C(NC[C@H](O)CN1CCOCC1)c1coc2ccccc21 ZINC000095442338 185366672 /nfs/dbraw/zinc/36/66/72/185366672.db2.gz ULCFJEACZODAJO-LBPRGKRZSA-N 0 0 304.346 0.856 50 0 DCAARN Cc1ccc(OCC(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1C ZINC000095451933 185369189 /nfs/dbraw/zinc/36/91/89/185369189.db2.gz QDDICUWVAJLREL-CQSZACIVSA-N 0 0 320.389 0.734 50 0 DCAARN CCn1cc(S(=O)(=O)N2CCCN(CC)CC2)nc1C ZINC000095453314 185369549 /nfs/dbraw/zinc/36/95/49/185369549.db2.gz WKLXSWVFKJDUIW-UHFFFAOYSA-N 0 0 300.428 0.928 50 0 DCAARN COC(=O)c1ccccc1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000095456763 185370136 /nfs/dbraw/zinc/37/01/36/185370136.db2.gz QTHVPMNRRLDALC-GFCCVEGCSA-N 0 0 304.346 0.740 50 0 DCAARN CN(CC(N)=O)C[C@@H]1CN(C(=O)C(C)(C)C(F)F)CCO1 ZINC000330971881 529824804 /nfs/dbraw/zinc/82/48/04/529824804.db2.gz BOSJQRUMZBFQSX-SECBINFHSA-N 0 0 307.341 0.972 50 0 DCAARN Cn1ncnc1S(=O)(=O)Cc1noc(-c2ccccc2)n1 ZINC000097141459 185414756 /nfs/dbraw/zinc/41/47/56/185414756.db2.gz XKZLPEBFIAHVFP-UHFFFAOYSA-N 0 0 305.319 0.839 50 0 DCAARN CC(C)NC(=O)CN(C)CC(=O)Nc1ccc2n[nH]cc2c1 ZINC000225499865 201722362 /nfs/dbraw/zinc/72/23/62/201722362.db2.gz OFWSBAUASJBDFW-UHFFFAOYSA-N 0 0 303.366 0.958 50 0 DCAARN CC(=O)NCC(=O)N1CCC[C@@H](Oc2nccnc2N(C)C)C1 ZINC000225505402 201722531 /nfs/dbraw/zinc/72/25/31/201722531.db2.gz HYDKWAIGSJBBEK-GFCCVEGCSA-N 0 0 321.381 0.049 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CC(C)(C)O)cn1 ZINC000297350726 530028386 /nfs/dbraw/zinc/02/83/86/530028386.db2.gz YFODDAUTHYGSGG-VIFPVBQESA-N 0 0 315.395 0.269 50 0 DCAARN C[C@@H](CNC(=O)c1ccnc(-n2cncn2)c1)Cn1cccn1 ZINC000058341661 190691747 /nfs/dbraw/zinc/69/17/47/190691747.db2.gz OMGYMGQLVVMWNU-LBPRGKRZSA-N 0 0 311.349 0.925 50 0 DCAARN COCC[C@@H]1CCCCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000067514750 190710149 /nfs/dbraw/zinc/71/01/49/190710149.db2.gz IGGPJVACDOOSHM-NSHDSACASA-N 0 0 311.382 0.734 50 0 DCAARN O=C(C1CCS(=O)(=O)CC1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000067974779 190740884 /nfs/dbraw/zinc/74/08/84/190740884.db2.gz VFZWXZMVNGPINX-LBPRGKRZSA-N 0 0 311.407 0.941 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cccc(Cn2ccnc2)c1 ZINC000287012256 219268716 /nfs/dbraw/zinc/26/87/16/219268716.db2.gz UDFJQPWAYLZZGI-KGLIPLIRSA-N 0 0 316.336 0.969 50 0 DCAARN O=C(CCn1cnnn1)N1CCO[C@@H](Cc2cccc(F)c2)C1 ZINC000071748519 191020666 /nfs/dbraw/zinc/02/06/66/191020666.db2.gz WBNDXEHPMYBZKK-AWEZNQCLSA-N 0 0 319.340 0.672 50 0 DCAARN C[C@@H](C(N)=O)n1ncc(N(C)CCc2ccccc2)cc1=O ZINC000072138961 191048041 /nfs/dbraw/zinc/04/80/41/191048041.db2.gz WCHIXSCROAEBLC-LBPRGKRZSA-N 0 0 300.362 0.969 50 0 DCAARN Cc1cc(C)n([C@H](C)C(=O)N2CCc3c(nc(N)[nH]c3=O)C2)n1 ZINC000072138970 191048356 /nfs/dbraw/zinc/04/83/56/191048356.db2.gz JGGMIIBSHYUPBV-SNVBAGLBSA-N 0 0 316.365 0.311 50 0 DCAARN O=C(CN1CCC[C@]2(CNC(=O)O2)C1)NCc1ccccn1 ZINC000072145643 191052030 /nfs/dbraw/zinc/05/20/30/191052030.db2.gz ZUGAKOYDWHRGEE-HNNXBMFYSA-N 0 0 304.350 0.272 50 0 DCAARN CN(CCC(N)=O)c1nc(-c2ccncc2)nc2c1cnn2C ZINC000072146954 191052786 /nfs/dbraw/zinc/05/27/86/191052786.db2.gz OBPSHYCJUYCEDV-UHFFFAOYSA-N 0 0 311.349 0.737 50 0 DCAARN COc1cccc(SCC(=O)N2CC[C@H](CO)[C@H](O)C2)c1 ZINC000072146041 191053389 /nfs/dbraw/zinc/05/33/89/191053389.db2.gz ZNNJYFNWCHEJQD-BXUZGUMPSA-N 0 0 311.403 0.989 50 0 DCAARN O=S(=O)(Nc1ccc(-n2cnnn2)cc1)[C@H]1CCCC[C@H]1O ZINC000072232510 191079611 /nfs/dbraw/zinc/07/96/11/191079611.db2.gz NKYYCXSMSVUJQB-OLZOCXBDSA-N 0 0 323.378 0.708 50 0 DCAARN Cc1cc(C(=O)NCCCN2CCOCC2)nc(N(C)C)n1 ZINC000072241199 191084866 /nfs/dbraw/zinc/08/48/66/191084866.db2.gz RCIXFHUMPYAHBV-UHFFFAOYSA-N 0 0 307.398 0.303 50 0 DCAARN Cc1nc(C)n(C[C@H]2CN(CC(=O)NC3CCCC3)CCO2)n1 ZINC000072253430 191087512 /nfs/dbraw/zinc/08/75/12/191087512.db2.gz LCTNFFLJIKXPON-OAHLLOKOSA-N 0 0 321.425 0.655 50 0 DCAARN Cc1n[nH]c(C)c1NC(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000072267578 191090754 /nfs/dbraw/zinc/09/07/54/191090754.db2.gz XLDRFGOWLGNXCV-CYBMUJFWSA-N 0 0 318.381 0.563 50 0 DCAARN CCOC(=O)[C@@H](C)NC(=O)COc1ccc(CC(N)=O)cc1 ZINC000072274526 191097459 /nfs/dbraw/zinc/09/74/59/191097459.db2.gz FVNQNRNJOUFNIX-SNVBAGLBSA-N 0 0 308.334 0.161 50 0 DCAARN CC(C)[C@H](C(=O)N[C@@H]1CCc2nccn2C1)N1CCCC1=O ZINC000072279409 191100582 /nfs/dbraw/zinc/10/05/82/191100582.db2.gz KOFBUVNECNZJSO-IUODEOHRSA-N 0 0 304.394 0.961 50 0 DCAARN CS(=O)(=O)C1(C(=O)N[C@@H]2CCc3nccn3C2)CCCC1 ZINC000072278832 191099608 /nfs/dbraw/zinc/09/96/08/191099608.db2.gz REKBWIWIKADZAJ-LLVKDONJSA-N 0 0 311.407 0.672 50 0 DCAARN O=C(CCc1ccsc1)NCCN1CCS(=O)(=O)CC1 ZINC000072280304 191101798 /nfs/dbraw/zinc/10/17/98/191101798.db2.gz ICGDQMXWAMTBCM-UHFFFAOYSA-N 0 0 316.448 0.527 50 0 DCAARN COc1cccc(CC(=O)N2CC[NH+](CCC(=O)[O-])CC2)c1 ZINC000072281709 191102916 /nfs/dbraw/zinc/10/29/16/191102916.db2.gz NTOUGBOMTZPAQN-UHFFFAOYSA-N 0 0 306.362 0.857 50 0 DCAARN Cc1cc(C)n(-c2cncc(N3CCC[C@H](C(N)=O)C3)n2)n1 ZINC000072283096 191104011 /nfs/dbraw/zinc/10/40/11/191104011.db2.gz WGXNDIPCIBRUTE-LBPRGKRZSA-N 0 0 300.366 0.981 50 0 DCAARN COC(=O)[C@H](c1ccccc1)N(C)C(=O)C1=NN(C)C(=O)CC1 ZINC000072290114 191108376 /nfs/dbraw/zinc/10/83/76/191108376.db2.gz AMMTVFLWJIFICD-AWEZNQCLSA-N 0 0 317.345 0.967 50 0 DCAARN COc1ccc(NC(=O)Cn2cc(C)cn2)cc1-n1cnnn1 ZINC000072295502 191111642 /nfs/dbraw/zinc/11/16/42/191111642.db2.gz CMWGEEXOBBOVLE-UHFFFAOYSA-N 0 0 313.321 0.815 50 0 DCAARN Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)Cc2cccs2)C1 ZINC000253378389 186302555 /nfs/dbraw/zinc/30/25/55/186302555.db2.gz CMINGMWBIQJDDL-MGCOHNPYSA-N 0 0 306.391 0.974 50 0 DCAARN CSc1cccc(N2C[C@@H](C(=O)Nc3nn[nH]n3)CC2=O)c1 ZINC000253408998 186309020 /nfs/dbraw/zinc/30/90/20/186309020.db2.gz LHKUKSKJSOVNOK-QMMMGPOBSA-N 0 0 318.362 0.913 50 0 DCAARN COCc1nnc(NC(=O)Cn2cc(OC)c(=O)cc2C)s1 ZINC000253412192 186309446 /nfs/dbraw/zinc/30/94/46/186309446.db2.gz QEEUTNSAORUQOL-UHFFFAOYSA-N 0 0 324.362 0.802 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)CN1CCC(=O)Nc1ccccc1F ZINC000171922559 198009278 /nfs/dbraw/zinc/00/92/78/198009278.db2.gz BUGOMMDERMBRIX-MFKMUULPSA-N 0 0 310.325 0.763 50 0 DCAARN COC(=O)[C@@H](C)NC(=O)CCc1nc2ccccc2[nH]c1=O ZINC000072404007 191151601 /nfs/dbraw/zinc/15/16/01/191151601.db2.gz XWVSCLHSHXFCDB-SECBINFHSA-N 0 0 303.318 0.533 50 0 DCAARN NC(=O)[C@H](CO)Nc1cc(-c2ccccc2F)nc2ccnn21 ZINC000072419235 191156353 /nfs/dbraw/zinc/15/63/53/191156353.db2.gz KLUKIDSEDGUWGD-LBPRGKRZSA-N 0 0 315.308 0.794 50 0 DCAARN CCc1nc(C)sc1CN1C[C@@]2(C(=O)[O-])C[NH2+]C[C@H]2C1=O ZINC000072422707 191157893 /nfs/dbraw/zinc/15/78/93/191157893.db2.gz OXTLSRCIWJMPBZ-XPTSAGLGSA-N 0 0 309.391 0.647 50 0 DCAARN COc1c(C)cnc(CN2C[C@@]3(C(=O)[O-])C[NH2+]C[C@H]3C2=O)c1C ZINC000072428627 191161061 /nfs/dbraw/zinc/16/10/61/191161061.db2.gz ZDOBIBIVLDJYGN-ZBEGNZNMSA-N 0 0 319.361 0.340 50 0 DCAARN CC(=O)N1CCN(Cc2cccc(O)c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072427813 191161354 /nfs/dbraw/zinc/16/13/54/191161354.db2.gz GEFJUOMZFUSYEL-LSDHHAIUSA-N 0 0 324.402 0.222 50 0 DCAARN O=C([C@@H]1CCCCO1)N1CCc2ncnc(NCCO)c2CC1 ZINC000072432964 191164138 /nfs/dbraw/zinc/16/41/38/191164138.db2.gz WAPFULMIXNWMGY-AWEZNQCLSA-N 0 0 320.393 0.377 50 0 DCAARN Cc1sc2ncn(CC(=O)N3CCOCC3)c(=O)c2c1C ZINC000000132401 180703719 /nfs/dbraw/zinc/70/37/19/180703719.db2.gz GRHIMTZXEPZCKT-UHFFFAOYSA-N 0 0 307.375 0.934 50 0 DCAARN NC(=O)C[C@@H]1COCCN1C(=O)c1scc2c1OCCO2 ZINC000072456917 191172422 /nfs/dbraw/zinc/17/24/22/191172422.db2.gz JDGXXCUCCDORGL-MRVPVSSYSA-N 0 0 312.347 0.236 50 0 DCAARN Nc1nc(CCCNC(=O)[C@@H]2NCCc3nc[nH]c32)cs1 ZINC000072476889 191178817 /nfs/dbraw/zinc/17/88/17/191178817.db2.gz VQPMGCJGWLMXSE-LLVKDONJSA-N 0 0 306.395 0.384 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccco2)C1 ZINC000000220688 180730377 /nfs/dbraw/zinc/73/03/77/180730377.db2.gz AAQAQUBLCFRWOM-NSHDSACASA-N 0 0 300.380 0.958 50 0 DCAARN COC(=O)C1=C[C@@]2(CC(=O)N(c3ccc(C)c(C)c3)C2=O)NN1 ZINC000000507314 180809562 /nfs/dbraw/zinc/80/95/62/180809562.db2.gz HCQXWJUOUFUEDF-INIZCTEOSA-N 0 0 315.329 0.828 50 0 DCAARN NC(=O)CSc1nc2ccccc2nc1SCC(N)=O ZINC000001814400 180897648 /nfs/dbraw/zinc/89/76/48/180897648.db2.gz IJIUCYWOTJRKIC-UHFFFAOYSA-N 0 0 308.388 0.785 50 0 DCAARN C[C@@H](NCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccccc1 ZINC000002442815 180924079 /nfs/dbraw/zinc/92/40/79/180924079.db2.gz QRMMPFGUQVKAQQ-SNVBAGLBSA-N 0 0 313.361 0.811 50 0 DCAARN NC(=O)COC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000003286701 181000129 /nfs/dbraw/zinc/00/01/29/181000129.db2.gz MDSKOWXXFHSNEV-UHFFFAOYSA-N 0 0 315.123 0.207 50 0 DCAARN O=C(COC(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000003290786 181001001 /nfs/dbraw/zinc/00/10/01/181001001.db2.gz DWKBFRGDFFEUFX-UHFFFAOYSA-N 0 0 307.302 0.473 50 0 DCAARN CNC(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O ZINC000003329515 181006218 /nfs/dbraw/zinc/00/62/18/181006218.db2.gz QUFLZKICFZONBP-UHFFFAOYSA-N 0 0 317.736 0.982 50 0 DCAARN Cc1cc(NC(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)no1 ZINC000003339162 181008171 /nfs/dbraw/zinc/00/81/71/181008171.db2.gz SSCZQCFTVIPPFN-GFCCVEGCSA-N 0 0 310.335 0.349 50 0 DCAARN C[C@H](C(=O)Nc1ccc(F)c(F)c1F)N1CCNC(=O)C1 ZINC000003350476 181009712 /nfs/dbraw/zinc/00/97/12/181009712.db2.gz SNYUKMMZCQSXHR-SSDOTTSWSA-N 0 0 301.268 0.863 50 0 DCAARN C[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)NC(N)=O ZINC000003352018 181010499 /nfs/dbraw/zinc/01/04/99/181010499.db2.gz SZCXBQFJHUCSMX-ZETCQYMHSA-N 0 0 306.347 0.609 50 0 DCAARN CCOC(=O)NC(=O)COC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000003431561 181019070 /nfs/dbraw/zinc/01/90/70/181019070.db2.gz JMPAXDUZGOYMGH-JTQLQIEISA-N 0 0 322.317 0.621 50 0 DCAARN Cn1c(N)c(C(=O)CSc2ccccc2)c(=O)n(C)c1=O ZINC000003512988 181028851 /nfs/dbraw/zinc/02/88/51/181028851.db2.gz FVBWQMPGKJOLLD-UHFFFAOYSA-N 0 0 305.359 0.641 50 0 DCAARN O=S(=O)(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000003659178 181044226 /nfs/dbraw/zinc/04/42/26/181044226.db2.gz DYXFKTYWGFDGBO-VIFPVBQESA-N 0 0 309.796 0.805 50 0 DCAARN CC(=O)[C@@H]1[C@@H](c2cccnc2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000004003400 181061547 /nfs/dbraw/zinc/06/15/47/181061547.db2.gz BIEHCHUXQPTPAS-FXPVBKGRSA-N 0 0 303.240 0.892 50 0 DCAARN COc1ccc(CCN2CC(=O)N3CSC[C@H]3C2=O)cc1 ZINC000004086248 181071459 /nfs/dbraw/zinc/07/14/59/181071459.db2.gz UCGJVPPMSLGWPL-ZDUSSCGKSA-N 0 0 306.387 0.981 50 0 biogenic DCAARN CCCn1c(C)cn2c1nc1c2c(=O)n(CCOC)c(=O)n1C ZINC000004250972 181088682 /nfs/dbraw/zinc/08/86/82/181088682.db2.gz FFBMCNNUAZAOIE-UHFFFAOYSA-N 0 0 319.365 0.514 50 0 DCAARN CCN1CCN(CC(=O)Nc2ccc(Cl)cc2)C(=O)C1=O ZINC000004326289 181097962 /nfs/dbraw/zinc/09/79/62/181097962.db2.gz AVLRALSJDXDFTO-UHFFFAOYSA-N 0 0 309.753 0.969 50 0 DCAARN CC(C)Cc1nc(SCCO)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004341201 181100157 /nfs/dbraw/zinc/10/01/57/181100157.db2.gz BKIBVVMSIYFWOI-UHFFFAOYSA-N 0 0 324.406 0.310 50 0 DCAARN COC(=O)c1nnn(-c2cc(OC)cc(OC)c2)c1C(=O)OC ZINC000004315802 181096301 /nfs/dbraw/zinc/09/63/01/181096301.db2.gz RJDGHUTZZZURBM-UHFFFAOYSA-N 0 0 321.289 0.858 50 0 DCAARN CC1(C)O[C@H]2O[C@@H]([C@H](O)CO)[C@@H](OCc3ccccc3)[C@H]2O1 ZINC000004530855 181120506 /nfs/dbraw/zinc/12/05/06/181120506.db2.gz CIFFIYJOTIJKSX-XLWJZTARSA-N 0 0 310.346 0.801 50 0 DCAARN CS(=O)(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000004499676 181115817 /nfs/dbraw/zinc/11/58/17/181115817.db2.gz NAVDHTAUKWULJC-SECBINFHSA-N 0 0 312.347 0.112 50 0 DCAARN Cc1cc(C)n2nc(SCC(=O)N3CCCC3=O)nc2n1 ZINC000004523540 181119615 /nfs/dbraw/zinc/11/96/15/181119615.db2.gz WANGXSBUBRHJJZ-UHFFFAOYSA-N 0 0 305.363 0.982 50 0 DCAARN NC(=O)C1CCN(C(=O)CCC(=O)NCc2ccccn2)CC1 ZINC000004675632 181135264 /nfs/dbraw/zinc/13/52/64/181135264.db2.gz AMAFGHMZKSEYSO-UHFFFAOYSA-N 0 0 318.377 0.202 50 0 DCAARN CCOc1ccc(S(=O)(=O)NCCO)cc1NC(C)=O ZINC000004813756 181155028 /nfs/dbraw/zinc/15/50/28/181155028.db2.gz WBRYTGISBBXGFY-UHFFFAOYSA-N 0 0 302.352 0.314 50 0 DCAARN Cc1cccc(N([C@H]2CCS(=O)(=O)C2)S(C)(=O)=O)c1 ZINC000004852317 181163166 /nfs/dbraw/zinc/16/31/66/181163166.db2.gz JWLZXMFQMKJPDF-LBPRGKRZSA-N 0 0 303.405 0.948 50 0 DCAARN NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000004899833 181170270 /nfs/dbraw/zinc/17/02/70/181170270.db2.gz YQHPZEVGWUTGLC-LBPRGKRZSA-N 0 0 305.334 0.389 50 0 DCAARN Cc1cccc(NC(=O)C[C@@H]([NH2+]CCOCCO)C(=O)[O-])c1 ZINC000004939484 181175634 /nfs/dbraw/zinc/17/56/34/181175634.db2.gz OGCKQEMJDPLMIP-CYBMUJFWSA-N 0 0 310.350 0.375 50 0 DCAARN O=S(=O)(NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000005012169 181190576 /nfs/dbraw/zinc/19/05/76/181190576.db2.gz LCSCHTSUTCJKPM-LBPRGKRZSA-N 0 0 303.405 0.336 50 0 DCAARN CCCn1nnnc1CN1CCN(c2nc(CC)ns2)CC1 ZINC000076061537 191565852 /nfs/dbraw/zinc/56/58/52/191565852.db2.gz PZODNBUMBNJQJW-UHFFFAOYSA-N 0 0 322.442 0.819 50 0 DCAARN O=C(CCCn1nnc2ccccc2c1=O)N1CCOCC1 ZINC000005245128 181220993 /nfs/dbraw/zinc/22/09/93/181220993.db2.gz OEPYCCACBBAWJR-UHFFFAOYSA-N 0 0 302.334 0.431 50 0 DCAARN CNC(=O)NC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1 ZINC000005255242 181222277 /nfs/dbraw/zinc/22/22/77/181222277.db2.gz OSGMKWFSAZUZNO-UHFFFAOYSA-N 0 0 302.338 0.919 50 0 DCAARN CC(=O)Nc1ccc(NC(=O)C[C@H]([NH2+]CCCO)C(=O)[O-])cc1 ZINC000005257968 181223076 /nfs/dbraw/zinc/22/30/76/181223076.db2.gz FAVRWELQSGFWNT-ZDUSSCGKSA-N 0 0 323.349 0.399 50 0 DCAARN COc1cccc(C(=O)NCCS(=O)(=O)NC(C)C)c1 ZINC000005301859 181227925 /nfs/dbraw/zinc/22/79/25/181227925.db2.gz TUFYBNBSKTZVPT-UHFFFAOYSA-N 0 0 300.380 0.753 50 0 DCAARN CC(C)(C)n1nc2c(c1NC(=O)C(=O)NCCO)CSC2 ZINC000005438102 181242983 /nfs/dbraw/zinc/24/29/83/181242983.db2.gz AZIDAEBPBZDHJM-UHFFFAOYSA-N 0 0 312.395 0.432 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000005558015 181257020 /nfs/dbraw/zinc/25/70/20/181257020.db2.gz GHSONTCCFDLBNS-GFCCVEGCSA-N 0 0 312.391 0.846 50 0 DCAARN C[C@@H](CNC(=O)C1(O)Cc2ccccc2C1)CN1CCOCC1 ZINC000081432360 192263754 /nfs/dbraw/zinc/26/37/54/192263754.db2.gz KKSSMKCMGMRLQC-AWEZNQCLSA-N 0 0 318.417 0.601 50 0 DCAARN C[C@]1(NC(=O)COc2ccccc2F)CCS(=O)(=O)C1 ZINC000005859559 181290548 /nfs/dbraw/zinc/29/05/48/181290548.db2.gz ALWOZENQBSHEGX-ZDUSSCGKSA-N 0 0 301.339 0.898 50 0 DCAARN Cc1nn(S(C)(=O)=O)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000015786577 293801061 /nfs/dbraw/zinc/80/10/61/293801061.db2.gz NMHIJZCXYNUDMA-UHFFFAOYSA-N 0 0 321.424 0.482 50 0 DCAARN Cn1nnnc1SCCNC(=O)N1CCCC[C@H]1CCO ZINC000426657094 240352626 /nfs/dbraw/zinc/35/26/26/240352626.db2.gz ZDFSIQODTHDDNP-JTQLQIEISA-N 0 0 314.415 0.249 50 0 DCAARN Cn1c(CCNC(=O)[C@H]2COCCN2)nc2c1cccc2F ZINC000237737429 202342674 /nfs/dbraw/zinc/34/26/74/202342674.db2.gz FHXPMZBZBCJMEM-LLVKDONJSA-N 0 0 306.341 0.360 50 0 DCAARN CNC(=O)c1cnc2sc(N3CCCCCC3)nn2c1=O ZINC000008603792 283492044 /nfs/dbraw/zinc/49/20/44/283492044.db2.gz ZEPRZXZWJIOBQE-UHFFFAOYSA-N 0 0 307.379 0.891 50 0 DCAARN COc1ccc(-c2noc(Cn3ncn(C)c3=O)n2)c(OC)c1 ZINC000153974335 291210004 /nfs/dbraw/zinc/21/00/04/291210004.db2.gz HZCJOVHACSTTRE-UHFFFAOYSA-N 0 0 317.305 0.697 50 0 DCAARN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(C)(C)CSC ZINC000240534512 202458190 /nfs/dbraw/zinc/45/81/90/202458190.db2.gz GOEOTLODZKNCRJ-SNVBAGLBSA-N 0 0 315.439 0.229 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(NC(C)=O)c1 ZINC000005989837 181303633 /nfs/dbraw/zinc/30/36/33/181303633.db2.gz PLOUGJAZDSNKJR-QMMMGPOBSA-N 0 0 307.306 0.646 50 0 DCAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cc(=O)[nH]c(=O)[nH]2)[C@@H]1C ZINC000006049249 181308707 /nfs/dbraw/zinc/30/87/07/181308707.db2.gz NHELRXVCDFDFDQ-OPRDCNLKSA-N 0 0 323.349 0.161 50 0 DCAARN CC(C)NC(=O)NC(=O)COC(=O)[C@@H]1COc2ccccc2O1 ZINC000006054990 181308813 /nfs/dbraw/zinc/30/88/13/181308813.db2.gz PBUSUTFACLBIFU-LBPRGKRZSA-N 0 0 322.317 0.604 50 0 DCAARN C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccncc1 ZINC000006200155 181318645 /nfs/dbraw/zinc/31/86/45/181318645.db2.gz WZVHSAYMIIWDAK-WCQYABFASA-N 0 0 311.407 0.930 50 0 DCAARN C[C@@H]1CCc2sc(C(=O)N3C[C@H](O)C[C@@H]3C(N)=O)cc2C1 ZINC000089930078 192907886 /nfs/dbraw/zinc/90/78/86/192907886.db2.gz QAIWWQKQSUDIKB-FBIMIBRVSA-N 0 0 308.403 0.934 50 0 DCAARN C[C@H]1CN=C(N2CCN(CC(=O)NCC(F)(F)F)CC2)S1 ZINC000089941283 192914666 /nfs/dbraw/zinc/91/46/66/192914666.db2.gz WZVVTUHUWDEEHD-VIFPVBQESA-N 0 0 324.372 0.774 50 0 DCAARN Cc1cn(C)c(=O)n(CCCS(=O)(=O)c2ccccc2)c1=O ZINC000408525159 239272600 /nfs/dbraw/zinc/27/26/00/239272600.db2.gz NTXYDIBBACFJBB-UHFFFAOYSA-N 0 0 322.386 0.719 50 0 DCAARN C[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000409413274 239277144 /nfs/dbraw/zinc/27/71/44/239277144.db2.gz IHIWDVOLXJJZLX-BDAKNGLRSA-N 0 0 320.324 0.552 50 0 DCAARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NC[C@H]1CCCO1 ZINC000006548806 181353282 /nfs/dbraw/zinc/35/32/82/181353282.db2.gz TXSXRRDMFOVCAY-GFCCVEGCSA-N 0 0 323.393 0.926 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3cccc(C)c3)C(=O)[C@@]2(C)NN1 ZINC000000547541 283746349 /nfs/dbraw/zinc/74/63/49/283746349.db2.gz KEOWIIDSPGGARJ-BMIGLBTASA-N 0 0 301.302 0.375 50 0 DCAARN NC(=O)c1c(NC(=O)NCCOCCO)sc2c1CCC2 ZINC000006662854 181367185 /nfs/dbraw/zinc/36/71/85/181367185.db2.gz FZDBEHGOIYLMEB-UHFFFAOYSA-N 0 0 313.379 0.466 50 0 DCAARN C[C@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)C[C@H](C)O1 ZINC000006671926 181368859 /nfs/dbraw/zinc/36/88/59/181368859.db2.gz JZUKNUXCOOFPPF-QWRGUYRKSA-N 0 0 302.334 0.427 50 0 DCAARN Cn1cc(C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)nn1 ZINC000206705036 201429227 /nfs/dbraw/zinc/42/92/27/201429227.db2.gz MLWMLDWPJWWRMS-LBPRGKRZSA-N 0 0 314.267 0.995 50 0 DCAARN COc1ccc([C@H](O)CNC(=O)N2CCNC2=O)cc1OC ZINC000211088086 201439015 /nfs/dbraw/zinc/43/90/15/201439015.db2.gz VCYCIXRTBPLTHB-SNVBAGLBSA-N 0 0 309.322 0.472 50 0 DCAARN CC[C@@H](C(=O)NC1CCN(S(C)(=O)=O)CC1)n1cccn1 ZINC000091289498 193031464 /nfs/dbraw/zinc/03/14/64/193031464.db2.gz NWYPAIIEMMTHDI-LBPRGKRZSA-N 0 0 314.411 0.374 50 0 DCAARN COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 ZINC000091452342 193058844 /nfs/dbraw/zinc/05/88/44/193058844.db2.gz JLHOAELWZOKKAJ-QWHCGFSZSA-N 0 0 303.362 0.791 50 0 DCAARN CN(C)[C@H](C(=O)NCCc1ncnn1C)c1cccc(F)c1 ZINC000091452601 193058891 /nfs/dbraw/zinc/05/88/91/193058891.db2.gz UFPJNCFHQNBPOW-AWEZNQCLSA-N 0 0 305.357 0.916 50 0 DCAARN O=S(=O)(CCn1cc([C@@H]2CCOC2)nn1)N1CCCC1 ZINC000091440705 193056378 /nfs/dbraw/zinc/05/63/78/193056378.db2.gz YGNAWTWYJCGIIF-LLVKDONJSA-N 0 0 300.384 0.208 50 0 DCAARN CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)CO)CC1 ZINC000091593360 193077004 /nfs/dbraw/zinc/07/70/04/193077004.db2.gz BFYWZDKBYMTBRL-UHFFFAOYSA-N 0 0 318.381 0.241 50 0 DCAARN Cc1cn(CCNC(=O)[C@@H]2CC(=O)Nc3ccc(F)cc32)nn1 ZINC000091595482 193078031 /nfs/dbraw/zinc/07/80/31/193078031.db2.gz FRISRXXAPJKIAA-GFCCVEGCSA-N 0 0 317.324 0.968 50 0 DCAARN COCCN1CCC[C@@]2(CCN(c3cc(OC)ncn3)C2)C1=O ZINC000091493495 193064603 /nfs/dbraw/zinc/06/46/03/193064603.db2.gz PSTOPHPLXFWWCA-INIZCTEOSA-N 0 0 320.393 0.951 50 0 DCAARN COc1cnc(N2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)nc1 ZINC000091665247 193088256 /nfs/dbraw/zinc/08/82/56/193088256.db2.gz YZBALPYCCQINKS-OLZOCXBDSA-N 0 0 309.366 0.214 50 0 DCAARN CN(Cc1cccnc1Cl)C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C ZINC000091746613 193101613 /nfs/dbraw/zinc/10/16/13/193101613.db2.gz WKGLYAPUJPVBLG-SNVBAGLBSA-N 0 0 324.768 0.976 50 0 DCAARN CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)c1cc(C)n[nH]1 ZINC000091706651 193095358 /nfs/dbraw/zinc/09/53/58/193095358.db2.gz XKRYVXPZICYPNG-JQWIXIFHSA-N 0 0 314.411 0.508 50 0 DCAARN CN(C)C(=O)c1cncc(N2CC[C@]3(C2)CCCN(C)C3=O)n1 ZINC000091713982 193096384 /nfs/dbraw/zinc/09/63/84/193096384.db2.gz WLRDGNDUVMFRLF-INIZCTEOSA-N 0 0 317.393 0.627 50 0 DCAARN CN1CCC[C@@]2(CCN(C(=O)CN3CCCCCC3=O)C2)C1=O ZINC000091725743 193097930 /nfs/dbraw/zinc/09/79/30/193097930.db2.gz BYWYGKNJALKMIU-KRWDZBQOSA-N 0 0 321.421 0.860 50 0 DCAARN CC(C)Cc1cc(C(=O)NCCN(C)S(C)(=O)=O)n(C)n1 ZINC000091965900 193133554 /nfs/dbraw/zinc/13/35/54/193133554.db2.gz ZNIMWDYJWLLLIR-UHFFFAOYSA-N 0 0 316.427 0.240 50 0 DCAARN CCn1ncnc1CN1CCCO[C@@H](CN2CCOCC2)C1 ZINC000216236975 201485374 /nfs/dbraw/zinc/48/53/74/201485374.db2.gz WDLVLVTXAXYQCB-AWEZNQCLSA-N 0 0 309.414 0.221 50 0 DCAARN COCCn1cnnc1CCNC(=O)c1ncc(F)cc1F ZINC000218809163 201542813 /nfs/dbraw/zinc/54/28/13/201542813.db2.gz DSOODGHBTXKDLQ-UHFFFAOYSA-N 0 0 311.292 0.570 50 0 DCAARN CCC(C)(C)NC(=O)CN1CCCn2nc([C@H](O)CO)cc2C1 ZINC000219780050 201563250 /nfs/dbraw/zinc/56/32/50/201563250.db2.gz RODHKXHSUVDLRY-CQSZACIVSA-N 0 0 324.425 0.419 50 0 DCAARN Cc1cc(N)n(CC(=O)NCCCc2nnc3ccccn32)n1 ZINC000223106237 201631975 /nfs/dbraw/zinc/63/19/75/201631975.db2.gz SJOQFVDZFFGJFE-UHFFFAOYSA-N 0 0 313.365 0.565 50 0 DCAARN CC(=O)N1CC[C@@H](NC(=O)c2nn(C)c3c2CCCC3)[C@H](O)C1 ZINC000252480314 202839409 /nfs/dbraw/zinc/83/94/09/202839409.db2.gz BZPMXYCLXJVUFK-TZMCWYRMSA-N 0 0 320.393 0.010 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)N(C)c2cnccn2)c(C)o1 ZINC000252488346 202844490 /nfs/dbraw/zinc/84/44/90/202844490.db2.gz IPTLVUYHMVLQMR-UHFFFAOYSA-N 0 0 311.319 0.990 50 0 DCAARN O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)C1=NNC(=O)CC1 ZINC000252527425 202864116 /nfs/dbraw/zinc/86/41/16/202864116.db2.gz CNPMDSDFHHASJP-RWEMILLDSA-N 0 0 307.375 0.942 50 0 DCAARN CNC(=O)c1noc(CN2C(=O)COc3ccc(F)cc32)n1 ZINC000095365221 193432809 /nfs/dbraw/zinc/43/28/09/193432809.db2.gz LVWPRFAIMCWDBK-UHFFFAOYSA-N 0 0 306.253 0.494 50 0 DCAARN Cc1noc([C@@H]2CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C2)n1 ZINC000095955366 193457903 /nfs/dbraw/zinc/45/79/03/193457903.db2.gz DSCZCODDMATLSJ-WCBMZHEXSA-N 0 0 316.383 0.022 50 0 DCAARN Cn1cc(C(=O)N2CCN(Cc3ccccn3)CC2)ccc1=O ZINC000095954187 193457113 /nfs/dbraw/zinc/45/71/13/193457113.db2.gz ZXBDKBZZCAJNOF-UHFFFAOYSA-N 0 0 312.373 0.738 50 0 DCAARN CC(C)c1cc(C(=O)NCCCO)nc(N2CCOCC2)n1 ZINC000096100970 193537443 /nfs/dbraw/zinc/53/74/43/193537443.db2.gz JTNJOZCYEVARKJ-UHFFFAOYSA-N 0 0 308.382 0.549 50 0 DCAARN C[C@]1(O)CCN(C(=O)c2cnc(N)nc2C(F)(F)F)C[C@@H]1O ZINC000096153121 193554121 /nfs/dbraw/zinc/55/41/21/193554121.db2.gz VLTZNHUGGHZHRT-CPCISQLKSA-N 0 0 320.271 0.035 50 0 DCAARN CN(C)c1nc(N)nc(COc2ccc(-n3cnnn3)cc2)n1 ZINC000008935692 181592244 /nfs/dbraw/zinc/59/22/44/181592244.db2.gz FZMJSNYLHPAJIF-UHFFFAOYSA-N 0 0 313.325 0.075 50 0 DCAARN COCCNC(=O)C(=O)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000010220978 181661321 /nfs/dbraw/zinc/66/13/21/181661321.db2.gz COXIFWVVRRGVNZ-UHFFFAOYSA-N 0 0 319.361 0.823 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1C ZINC000011566109 181693736 /nfs/dbraw/zinc/69/37/36/181693736.db2.gz GFBLEZPOAOFDRO-UHFFFAOYSA-N 0 0 312.391 0.856 50 0 DCAARN COCCNC(=O)c1nnc2n(c1=O)CCN2c1ccccc1 ZINC000012233471 181743248 /nfs/dbraw/zinc/74/32/48/181743248.db2.gz BVPPVAYOMJTNMF-UHFFFAOYSA-N 0 0 315.333 0.166 50 0 DCAARN Cn1c(=O)c2c(nc(Cc3ccccc3)[nH]c2=S)n(C)c1=O ZINC000012391319 181756608 /nfs/dbraw/zinc/75/66/08/181756608.db2.gz GKRACYNEMPPDDV-UHFFFAOYSA-N 0 0 314.370 0.907 50 0 DCAARN CN1CCN(S(=O)(=O)c2ccc(N3CCCC3)nc2)CC1 ZINC000012631789 181784318 /nfs/dbraw/zinc/78/43/18/181784318.db2.gz PKFIGYCKYPLEBW-UHFFFAOYSA-N 0 0 310.423 0.618 50 0 DCAARN CCOC(=O)N1CCN(c2nn3c(nc(C)cc3=O)s2)CC1 ZINC000012766160 181795126 /nfs/dbraw/zinc/79/51/26/181795126.db2.gz CBDUVQANEPZIBM-UHFFFAOYSA-N 0 0 323.378 0.738 50 0 DCAARN O=C([C@@H]1OCCc2ccccc21)N1CCc2n[nH]c(=O)cc2C1 ZINC000274880088 212004780 /nfs/dbraw/zinc/00/47/80/212004780.db2.gz OOUIMDSDCNLVNJ-MRXNPFEDSA-N 0 0 311.341 0.969 50 0 DCAARN C[C@@H](Sc1nnnn1C)C(=O)NC(=O)NCc1ccccc1 ZINC000014093280 181924475 /nfs/dbraw/zinc/92/44/75/181924475.db2.gz CNBKIQDEOHLCCE-SECBINFHSA-N 0 0 320.378 0.717 50 0 DCAARN O=C([O-])[C@@]12CN(c3cnccn3)C[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000091657003 304169237 /nfs/dbraw/zinc/16/92/37/304169237.db2.gz DRBRJZLDJLVFQI-LRDDRELGSA-N 0 0 318.377 0.478 50 0 DCAARN CN1CCN(C(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000016624602 182053924 /nfs/dbraw/zinc/05/39/24/182053924.db2.gz UNFNGAODJTVAFN-STQMWFEESA-N 0 0 305.378 0.102 50 0 DCAARN Nc1nc(N)nc(COC(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000017741236 182085719 /nfs/dbraw/zinc/08/57/19/182085719.db2.gz LQWPXBCPUYIDHG-UHFFFAOYSA-N 0 0 317.305 0.554 50 0 DCAARN COc1ccc(-c2noc(CN3CCN(CCO)CC3)n2)cc1 ZINC000019836478 182155037 /nfs/dbraw/zinc/15/50/37/182155037.db2.gz UCLUXPCCFMEBGU-UHFFFAOYSA-N 0 0 318.377 0.855 50 0 DCAARN O=C(Cn1ncc(N2CCCC2)cc1=O)N[C@H]1CCCOC1 ZINC000019866690 182158230 /nfs/dbraw/zinc/15/82/30/182158230.db2.gz LZAHJHSKMYJIGH-LBPRGKRZSA-N 0 0 306.366 0.139 50 0 DCAARN COC(=O)C[C@@H](C(=O)OC)N1CCN(Cc2ccccc2)CC1 ZINC000019891480 182160963 /nfs/dbraw/zinc/16/09/63/182160963.db2.gz RRXNDDWYFLJWDW-HNNXBMFYSA-N 0 0 320.389 0.909 50 0 DCAARN CCOc1ccc(N2C(=O)C[C@@H](N[C@H](C)C(=O)OC)C2=O)cc1 ZINC000020113383 182188141 /nfs/dbraw/zinc/18/81/41/182188141.db2.gz QVJPQDCDNXREIF-ZWNOBZJWSA-N 0 0 320.345 0.868 50 0 biogenic DCAARN COCCN(Cc1cnn(C)c1)C(=O)CN1CCCCC1=O ZINC000097635045 193741683 /nfs/dbraw/zinc/74/16/83/193741683.db2.gz MWWRAPKSFFWJPT-UHFFFAOYSA-N 0 0 308.382 0.408 50 0 DCAARN CCc1nnc(NC(=O)CN2CCC3(CC2)OCCO3)s1 ZINC000020213805 182198225 /nfs/dbraw/zinc/19/82/25/182198225.db2.gz HSZIWFMQCHNLDA-UHFFFAOYSA-N 0 0 312.395 0.878 50 0 DCAARN COC(=O)CCNC(=O)c1ccc(Cl)cc1-n1cnnn1 ZINC000020427119 182216412 /nfs/dbraw/zinc/21/64/12/182216412.db2.gz HNJQTJBCRNFCSQ-UHFFFAOYSA-N 0 0 309.713 0.609 50 0 DCAARN Cc1ccc(-n2nc(C(=O)N3CCCC3)c(=O)n(C)c2=O)cc1 ZINC000021156438 182267524 /nfs/dbraw/zinc/26/75/24/182267524.db2.gz FUPJMVPPPCZPPZ-UHFFFAOYSA-N 0 0 314.345 0.476 50 0 DCAARN O=C([O-])[C@@H]1CC2(C[NH2+]1)CCN(c1ncnc3[nH]ccc31)CC2 ZINC000072440082 284448194 /nfs/dbraw/zinc/44/81/94/284448194.db2.gz GHYXCGTXXSOWMI-NSHDSACASA-N 0 0 301.350 0.991 50 0 DCAARN CCn1c2ccccc2n(CC(=O)NCCCOC)c(=O)c1=O ZINC000021944006 182299546 /nfs/dbraw/zinc/29/95/46/182299546.db2.gz PAPARZQKSIYMJN-UHFFFAOYSA-N 0 0 319.361 0.336 50 0 DCAARN CC(C)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000022230378 182313747 /nfs/dbraw/zinc/31/37/47/182313747.db2.gz NAPCWAFNASVTEK-UHFFFAOYSA-N 0 0 300.380 0.986 50 0 DCAARN Cn1nc(C(=O)NCc2cnn(-c3ccccc3)c2)ccc1=O ZINC000022993063 182344372 /nfs/dbraw/zinc/34/43/72/182344372.db2.gz AXMOXIQPLQXRKV-UHFFFAOYSA-N 0 0 309.329 0.896 50 0 DCAARN O=C(Nc1nc[nH]n1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000023141104 182350725 /nfs/dbraw/zinc/35/07/25/182350725.db2.gz CAEYVGFAXUJAPM-UHFFFAOYSA-N 0 0 307.335 0.597 50 0 DCAARN O=c1cccnn1CCCNS(=O)(=O)c1cccc(F)c1 ZINC000023137471 182350917 /nfs/dbraw/zinc/35/09/17/182350917.db2.gz WVEJSNMXWGWXCL-UHFFFAOYSA-N 0 0 311.338 0.751 50 0 DCAARN NC(=O)CSCCC(=O)NCC(=O)OCc1ccccc1 ZINC000023082533 182346605 /nfs/dbraw/zinc/34/66/05/182346605.db2.gz RXJJOWFCPDHAJP-UHFFFAOYSA-N 0 0 310.375 0.455 50 0 DCAARN CC(C)S(=O)(=O)N1CCC(Cn2cc(CCO)nn2)CC1 ZINC000023479184 182362038 /nfs/dbraw/zinc/36/20/38/182362038.db2.gz BPILAUJZUSTKME-UHFFFAOYSA-N 0 0 316.427 0.263 50 0 DCAARN C[C@@H]1CN(CC(=O)Nc2ccccc2S(C)(=O)=O)CCO1 ZINC000024014111 182372525 /nfs/dbraw/zinc/37/25/25/182372525.db2.gz DHGYRTWJGWGDHU-LLVKDONJSA-N 0 0 312.391 0.749 50 0 DCAARN CS(=O)(=O)N1CCCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000024779911 182390820 /nfs/dbraw/zinc/39/08/20/182390820.db2.gz AREHKZUBDLIBQJ-UHFFFAOYSA-N 0 0 322.390 0.670 50 0 DCAARN CS(=O)(=O)N1CCCN(C(=O)c2cc(Cl)ccn2)CC1 ZINC000024781751 182390988 /nfs/dbraw/zinc/39/09/88/182390988.db2.gz QYULUWAUBULVCU-UHFFFAOYSA-N 0 0 317.798 0.843 50 0 DCAARN O=C1CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CCN1 ZINC000024359449 182379560 /nfs/dbraw/zinc/37/95/60/182379560.db2.gz QFAPFDFWFOSMQV-UHFFFAOYSA-N 0 0 324.280 0.706 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000025023822 182399758 /nfs/dbraw/zinc/39/97/58/182399758.db2.gz ZVEXHNPBLUMVPG-ZDUSSCGKSA-N 0 0 315.329 0.672 50 0 DCAARN CN(C)c1nc(N)nc(COC(=O)Cc2cccc(F)c2)n1 ZINC000024975453 182396756 /nfs/dbraw/zinc/39/67/56/182396756.db2.gz AQYZECDENXJOEY-UHFFFAOYSA-N 0 0 305.313 0.945 50 0 DCAARN Cc1ccc(NC(=O)Cc2cnc3n2c(=O)[nH]c(=O)n3C)cc1 ZINC000028527162 182527562 /nfs/dbraw/zinc/52/75/62/182527562.db2.gz LDPOKINGLGAQDP-UHFFFAOYSA-N 0 0 313.317 0.211 50 0 DCAARN CC(=O)N1CCN(C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000030981618 182603270 /nfs/dbraw/zinc/60/32/70/182603270.db2.gz ODEDXXWNRYQCJK-ZDUSSCGKSA-N 0 0 319.361 0.700 50 0 DCAARN Cc1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000037009307 182860504 /nfs/dbraw/zinc/86/05/04/182860504.db2.gz JHIDTIMOQVEKCG-UHFFFAOYSA-N 0 0 305.359 0.967 50 0 DCAARN C[C@H]1CN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CCO1 ZINC000040477912 183075731 /nfs/dbraw/zinc/07/57/31/183075731.db2.gz SFDZNEGXRZJZSJ-NSHDSACASA-N 0 0 303.318 0.751 50 0 DCAARN CN1N=C(C(=O)N2CCN(Cc3ccco3)CC2)CCC1=O ZINC000040480924 183076712 /nfs/dbraw/zinc/07/67/12/183076712.db2.gz VAZAQOUFHIIZGE-UHFFFAOYSA-N 0 0 304.350 0.532 50 0 DCAARN CC(C)c1noc([C@@H](C)N2CCN(S(C)(=O)=O)CC2)n1 ZINC000040496527 183081348 /nfs/dbraw/zinc/08/13/48/183081348.db2.gz ZEVSWZIPEHKVDQ-SNVBAGLBSA-N 0 0 302.400 0.831 50 0 DCAARN C[C@@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)[C@@H]1CCCO1 ZINC000040497648 183081837 /nfs/dbraw/zinc/08/18/37/183081837.db2.gz HKIZSQMAQRQTJL-MFKMUULPSA-N 0 0 317.345 0.374 50 0 DCAARN CNS(=O)(=O)c1ccc(CNC(=O)c2ccccn2)cc1 ZINC000040498972 183082677 /nfs/dbraw/zinc/08/26/77/183082677.db2.gz FAXZKSULWOBQKK-UHFFFAOYSA-N 0 0 305.359 0.920 50 0 DCAARN NC(=O)c1ccc(S(=O)(=O)NCCCn2cccn2)cc1 ZINC000040504553 183084489 /nfs/dbraw/zinc/08/44/89/183084489.db2.gz QWEFOHIVWJJOAG-UHFFFAOYSA-N 0 0 308.363 0.351 50 0 DCAARN O=C(Cc1ccc2c(c1)OCCO2)N[C@@H]1CCCCNC1=O ZINC000040522154 183090858 /nfs/dbraw/zinc/09/08/58/183090858.db2.gz HQBUHOPYDYNGEF-GFCCVEGCSA-N 0 0 304.346 0.785 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)C[C@@H](C)O1 ZINC000040525011 183091729 /nfs/dbraw/zinc/09/17/29/183091729.db2.gz OSCMAHQUCZEZOV-UPJWGTAASA-N 0 0 318.439 0.841 50 0 DCAARN C[C@@H](CNS(=O)(=O)c1cnn(C)c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000040528116 183093472 /nfs/dbraw/zinc/09/34/72/183093472.db2.gz VQYMSFNJGAHFNG-QJPTWQEYSA-N 0 0 316.427 0.196 50 0 DCAARN O=C(Cn1cc(Br)ccc1=O)NC[C@H]1CCCO1 ZINC000040457391 183069184 /nfs/dbraw/zinc/06/91/84/183069184.db2.gz PMMUPPCXMLZSHQ-SNVBAGLBSA-N 0 0 315.167 0.906 50 0 DCAARN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000040540060 183096983 /nfs/dbraw/zinc/09/69/83/183096983.db2.gz XUZTWUQAAJGEIA-AWEZNQCLSA-N 0 0 319.340 0.763 50 0 DCAARN CC(C)N1C(=O)C(=O)N(Cc2cnn(-c3ccccc3)n2)C1=O ZINC000040542997 183098968 /nfs/dbraw/zinc/09/89/68/183098968.db2.gz ZESFNRDWCUGRRS-UHFFFAOYSA-N 0 0 313.317 0.967 50 0 DCAARN C[C@@]1(C(=O)NCCn2cccn2)Oc2ccccc2NC1=O ZINC000040776579 183132431 /nfs/dbraw/zinc/13/24/31/183132431.db2.gz UAPLAXOBFXXCEX-HNNXBMFYSA-N 0 0 300.318 0.789 50 0 DCAARN Cc1cc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)n(C)n1 ZINC000041830074 183222110 /nfs/dbraw/zinc/22/21/10/183222110.db2.gz STZAECMALPPEQK-JTQLQIEISA-N 0 0 300.384 0.481 50 0 DCAARN CCCn1nc(C(=O)NCCc2nnc3n2CCC3)ccc1=O ZINC000042502706 183277715 /nfs/dbraw/zinc/27/77/15/183277715.db2.gz LBWQDRPTLGEKRO-UHFFFAOYSA-N 0 0 316.365 0.164 50 0 DCAARN O=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CCCCNC1=O ZINC000042841823 183313181 /nfs/dbraw/zinc/31/31/81/183313181.db2.gz MYMYOPVDOXWGPI-LLVKDONJSA-N 0 0 305.334 0.883 50 0 DCAARN NC(=O)Cn1cc(NC(=O)NCc2ccc3c(c2)OCO3)cn1 ZINC000043273275 183349994 /nfs/dbraw/zinc/34/99/94/183349994.db2.gz AUFXXUYLOMNGHW-UHFFFAOYSA-N 0 0 317.305 0.419 50 0 DCAARN O=C(NCCn1ccnc1)N1CCN(c2nccs2)CC1 ZINC000043310401 183354714 /nfs/dbraw/zinc/35/47/14/183354714.db2.gz JOWMLTIEBGAWJV-UHFFFAOYSA-N 0 0 306.395 0.871 50 0 DCAARN C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1cccnc1 ZINC000043787504 183385795 /nfs/dbraw/zinc/38/57/95/183385795.db2.gz RHXORGFYYYJXQF-LLVKDONJSA-N 0 0 312.395 0.429 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)NC[C@@H]1CCS(=O)(=O)C1 ZINC000044457223 183411092 /nfs/dbraw/zinc/41/10/92/183411092.db2.gz HSYAYJVTFNSGQM-JTQLQIEISA-N 0 0 324.358 0.145 50 0 DCAARN O=C(NCCc1ccc2c(c1)OCO2)N[C@H]1CCCCNC1=O ZINC000043888485 183389305 /nfs/dbraw/zinc/38/93/05/183389305.db2.gz JYYVRSLCQHWLGY-LBPRGKRZSA-N 0 0 319.361 0.926 50 0 DCAARN NC(=O)[C@H]1CC(C(=O)OC[C@H]2CCCO2)=NN1c1ccccc1 ZINC000043976350 183391030 /nfs/dbraw/zinc/39/10/30/183391030.db2.gz WMGDLMWBDCCCQV-TZMCWYRMSA-N 0 0 317.345 0.829 50 0 DCAARN CN(CCCNC(=O)c1cnc2ccccc2n1)S(C)(=O)=O ZINC000044919135 183457232 /nfs/dbraw/zinc/45/72/32/183457232.db2.gz MUPWEWNLTROJNW-UHFFFAOYSA-N 0 0 322.390 0.641 50 0 DCAARN O=C(NCCCn1nc2n(c1=O)CCCC2)Nc1ccncc1 ZINC000047160636 183582152 /nfs/dbraw/zinc/58/21/52/183582152.db2.gz LHLLJRZHTDPLNE-UHFFFAOYSA-N 0 0 316.365 0.988 50 0 DCAARN NC(=O)[C@H]1CCCN1C(=O)CCn1cnc2ccccc2c1=O ZINC000047640679 183599424 /nfs/dbraw/zinc/59/94/24/183599424.db2.gz ZDAOJCLTPSJLFP-CYBMUJFWSA-N 0 0 314.345 0.263 50 0 biogenic DCAARN CN1CCN2CCN(Cc3ccc4c(c3)CCO4)C[C@H]2C1=O ZINC000106256009 194192330 /nfs/dbraw/zinc/19/23/30/194192330.db2.gz OQGGVSUYDQBUIJ-HNNXBMFYSA-N 0 0 301.390 0.580 50 0 DCAARN O=C1NCCN2CCN(c3cc(N4CCCCC4)ncn3)C[C@H]12 ZINC000106265380 194192901 /nfs/dbraw/zinc/19/29/01/194192901.db2.gz LORWRWLSBNDPJM-CYBMUJFWSA-N 0 0 316.409 0.087 50 0 DCAARN COC(=O)N(C)CC(=O)N(C)Cc1cnn(-c2ccccc2)n1 ZINC000048221017 183628580 /nfs/dbraw/zinc/62/85/80/183628580.db2.gz TZVWLYAATQJHJN-UHFFFAOYSA-N 0 0 317.349 0.924 50 0 DCAARN CC(=O)N1CCC[C@H]1C(=O)NCc1cccnc1-n1cccn1 ZINC000048168616 183624737 /nfs/dbraw/zinc/62/47/37/183624737.db2.gz JQSDWIWBWJRJRT-AWEZNQCLSA-N 0 0 313.361 0.894 50 0 DCAARN Cc1[nH]c(=S)sc1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000048390012 183654902 /nfs/dbraw/zinc/65/49/02/183654902.db2.gz CUPPCKZSEOYOSE-SSDOTTSWSA-N 0 0 306.434 0.586 50 0 DCAARN CCc1nc([C@@H]2CCCN(S(=O)(=O)[C@H]3CCOC3)C2)no1 ZINC000106800462 194254931 /nfs/dbraw/zinc/25/49/31/194254931.db2.gz KUHCNRVBHZPCTC-MNOVXSKESA-N 0 0 315.395 0.930 50 0 DCAARN CCOc1ccc(C(=O)NCC2(C(N)=O)CCOCC2)cn1 ZINC000052745321 183870048 /nfs/dbraw/zinc/87/00/48/183870048.db2.gz XVXLVNNQYCAAKZ-UHFFFAOYSA-N 0 0 307.350 0.492 50 0 DCAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(C)CC(N)=O)c12 ZINC000053141535 183889654 /nfs/dbraw/zinc/88/96/54/183889654.db2.gz LPOTYRHDHXNGEI-UHFFFAOYSA-N 0 0 303.366 0.957 50 0 DCAARN CCOC(=O)N[C@H]1CCCN(Cn2nc3ccccn3c2=O)C1 ZINC000054518284 183943320 /nfs/dbraw/zinc/94/33/20/183943320.db2.gz PKCFXUACNNHBJC-LBPRGKRZSA-N 0 0 319.365 0.664 50 0 DCAARN C[C@H](CO)NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000055271034 183975260 /nfs/dbraw/zinc/97/52/60/183975260.db2.gz VKVUXHOSKSEFKR-SECBINFHSA-N 0 0 304.343 0.089 50 0 DCAARN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cncn1 ZINC000056272353 184008736 /nfs/dbraw/zinc/00/87/36/184008736.db2.gz PYGJPRPYLUASSL-ZDUSSCGKSA-N 0 0 302.334 0.569 50 0 DCAARN COc1ccc(N2C[C@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1 ZINC000057051000 184025817 /nfs/dbraw/zinc/02/58/17/184025817.db2.gz JISWSDLLBZFCKM-SNVBAGLBSA-N 0 0 319.361 0.428 50 0 DCAARN Cc1cc(C(=O)NCCn2ncc3c2c(C)nn3C)nn1C ZINC000057279845 184031418 /nfs/dbraw/zinc/03/14/18/184031418.db2.gz GVRNSAZMZAWSTC-UHFFFAOYSA-N 0 0 301.354 0.550 50 0 DCAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ncccn2)cc1 ZINC000056906701 184021035 /nfs/dbraw/zinc/02/10/35/184021035.db2.gz JKKGKTPIBVEOOS-UHFFFAOYSA-N 0 0 306.347 0.097 50 0 DCAARN O=C(c1cccc(O)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000057380827 184036931 /nfs/dbraw/zinc/03/69/31/184036931.db2.gz SYZFNSJVXGCARC-CQSZACIVSA-N 0 0 304.346 0.856 50 0 DCAARN O=C(CN1CCN(CCO)CC1)Nc1ccnn1C1CCCC1 ZINC000058028907 184069737 /nfs/dbraw/zinc/06/97/37/184069737.db2.gz HAWIPSUBXLFVAQ-UHFFFAOYSA-N 0 0 321.425 0.547 50 0 DCAARN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCN(CCO)CC1 ZINC000058013774 184067399 /nfs/dbraw/zinc/06/73/99/184067399.db2.gz OQGWZROLCSPWBZ-AWEZNQCLSA-N 0 0 323.412 0.783 50 0 DCAARN CNC(=O)NC(=O)CN1CCC(NC(=O)c2occc2C)CC1 ZINC000058203551 184087408 /nfs/dbraw/zinc/08/74/08/184087408.db2.gz IVCKEJSFEFVTFO-UHFFFAOYSA-N 0 0 322.365 0.238 50 0 DCAARN O=C(NCCN1CCCS1(=O)=O)c1ccc[nH]c1=S ZINC000058213780 184088747 /nfs/dbraw/zinc/08/87/47/184088747.db2.gz UDDVHUYUTFKRQB-UHFFFAOYSA-N 0 0 301.393 0.136 50 0 DCAARN COCCCNC(=O)CN(C)C(=O)c1cc(OC)ccc1OC ZINC000058354836 184107778 /nfs/dbraw/zinc/10/77/78/184107778.db2.gz KKIPOMWGWNVQOK-UHFFFAOYSA-N 0 0 324.377 0.929 50 0 DCAARN C[C@@H]1CCCCN1S(=O)(=O)NCCCN1CCOCC1 ZINC000058365898 184109546 /nfs/dbraw/zinc/10/95/46/184109546.db2.gz ZOYSSRDVERWGNF-CYBMUJFWSA-N 0 0 305.444 0.418 50 0 DCAARN COC(=O)CNC[C@@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000059308292 184136875 /nfs/dbraw/zinc/13/68/75/184136875.db2.gz SVLKOVAGOQRNKC-INIZCTEOSA-N 0 0 324.352 0.442 50 0 DCAARN Cc1nn(-c2ccc(C)cc2C)nc1C(=O)N(C)CC(N)=O ZINC000060564911 184152548 /nfs/dbraw/zinc/15/25/48/184152548.db2.gz QXUWGHZOVJAVNG-UHFFFAOYSA-N 0 0 301.350 0.750 50 0 DCAARN COCCNC(=O)Cn1nc(-c2cccc(OC)c2)ccc1=O ZINC000061717916 184184628 /nfs/dbraw/zinc/18/46/28/184184628.db2.gz KKONWQKCYKCCRJ-UHFFFAOYSA-N 0 0 317.345 0.682 50 0 DCAARN NC(=O)[C@@H]1CCCN1C(=O)Cc1csc(-n2cccc2)n1 ZINC000061721009 184185478 /nfs/dbraw/zinc/18/54/78/184185478.db2.gz WQDDHFPIJHDCCV-NSHDSACASA-N 0 0 304.375 0.953 50 0 DCAARN CCOCC(=O)N1CCc2c(c(-c3nc(C)no3)nn2C)C1 ZINC000064566272 184300093 /nfs/dbraw/zinc/30/00/93/184300093.db2.gz OCBGPKQAGUYQAH-UHFFFAOYSA-N 0 0 305.338 0.700 50 0 DCAARN CCOC(=O)[C@H](C)NC(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000065329516 184324902 /nfs/dbraw/zinc/32/49/02/184324902.db2.gz KPZBYZFURFYPII-ZETCQYMHSA-N 0 0 307.306 0.516 50 0 DCAARN CCCc1ccc(CN2CCN3C(=O)CN(C)C(=O)[C@@H]3C2)o1 ZINC000065369870 184329424 /nfs/dbraw/zinc/32/94/24/184329424.db2.gz NPJSQZRSIBRTIH-AWEZNQCLSA-N 0 0 305.378 0.717 50 0 DCAARN CCCOCCN1CCN(C(=O)c2ccc(=O)n(C)c2)CC1 ZINC000065374275 184331647 /nfs/dbraw/zinc/33/16/47/184331647.db2.gz FNYRSSXZCWMYAA-UHFFFAOYSA-N 0 0 307.394 0.570 50 0 DCAARN COC(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000065415612 184341006 /nfs/dbraw/zinc/34/10/06/184341006.db2.gz DRMGMPODCMTPKE-ZETCQYMHSA-N 0 0 310.272 0.465 50 0 DCAARN CC(=O)N1CCN(C(=O)NCc2ccnc(N(C)C)c2)CC1 ZINC000065423863 184341997 /nfs/dbraw/zinc/34/19/97/184341997.db2.gz MWHCPBVSZZESOS-UHFFFAOYSA-N 0 0 305.382 0.521 50 0 DCAARN Cc1ccc([C@@H](CNC(=O)[C@H]2CCC(=O)N2)N2CCOCC2)o1 ZINC000065436893 184345123 /nfs/dbraw/zinc/34/51/23/184345123.db2.gz ZFZXTTDMBUHCKG-CHWSQXEVSA-N 0 0 321.377 0.356 50 0 DCAARN CN(Cc1nnc2n1CCC2)C(=O)N[C@H]1CCCCNC1=O ZINC000065447728 184346218 /nfs/dbraw/zinc/34/62/18/184346218.db2.gz UFZHOWZGLHCLFC-JTQLQIEISA-N 0 0 306.370 0.034 50 0 DCAARN COc1ncnc2c1CN(CC(=O)Nc1nccs1)CC2 ZINC000065464266 184349538 /nfs/dbraw/zinc/34/95/38/184349538.db2.gz BBJQRKDTFQGYSQ-UHFFFAOYSA-N 0 0 305.363 0.939 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000065466976 184350330 /nfs/dbraw/zinc/35/03/30/184350330.db2.gz HZBXXDGLJIBEKC-SNVBAGLBSA-N 0 0 302.309 0.959 50 0 DCAARN COCc1nnc(NC(=O)CN[C@@H](C)c2nc(C)no2)s1 ZINC000065466097 184350369 /nfs/dbraw/zinc/35/03/69/184350369.db2.gz CYPWZHKSKGEVDA-LURJTMIESA-N 0 0 312.355 0.665 50 0 DCAARN CC(=O)N[C@H](C)C1=CCCN(CC(=O)Nc2cnn(C)c2)C1 ZINC000065404930 184338113 /nfs/dbraw/zinc/33/81/13/184338113.db2.gz XAFHBDKOUQSSBU-LLVKDONJSA-N 0 0 305.382 0.515 50 0 DCAARN Cc1nnc2n1C[C@H](NC(=O)[C@H]1CC(=O)N(CC3CC3)C1)CC2 ZINC000065520822 184359260 /nfs/dbraw/zinc/35/92/60/184359260.db2.gz OJHUHZGZSJPKPK-QWHCGFSZSA-N 0 0 317.393 0.276 50 0 DCAARN CN1CCO[C@@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000065564613 184366794 /nfs/dbraw/zinc/36/67/94/184366794.db2.gz UCSNKRUNGWEIFU-LBPRGKRZSA-N 0 0 312.391 0.151 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)NCc2cccnc2)C1 ZINC000065565421 184367370 /nfs/dbraw/zinc/36/73/70/184367370.db2.gz QHDKGQNHFZQFFU-LBPRGKRZSA-N 0 0 312.395 0.305 50 0 DCAARN COCCOc1ccc(NC(=O)[C@H]2CCCN(C(N)=O)C2)cn1 ZINC000065608393 184372544 /nfs/dbraw/zinc/37/25/44/184372544.db2.gz CFTMSAFDLOSOFW-NSHDSACASA-N 0 0 322.365 0.836 50 0 DCAARN O=C(Cc1ccc(F)cc1)NCCNC(=O)NC[C@@H]1CCCO1 ZINC000065609449 184372553 /nfs/dbraw/zinc/37/25/53/184372553.db2.gz JPJRMCGADALIHE-AWEZNQCLSA-N 0 0 323.368 0.963 50 0 DCAARN COCCNC(=O)NC[C@H](O)COCc1ccc(OC)cc1 ZINC000065608710 184372770 /nfs/dbraw/zinc/37/27/70/184372770.db2.gz FFJXOYOOMSGFAX-ZDUSSCGKSA-N 0 0 312.366 0.518 50 0 DCAARN O=C(c1cc2n(n1)CCNC2)N1CCC[C@@H]1Cn1cccn1 ZINC000065494239 184355022 /nfs/dbraw/zinc/35/50/22/184355022.db2.gz ZZMXSIJJCXRMNU-GFCCVEGCSA-N 0 0 300.366 0.488 50 0 DCAARN CN1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H](c2ccccc2)C1 ZINC000065518200 184358586 /nfs/dbraw/zinc/35/85/86/184358586.db2.gz ROHQKIMXDCUELY-CYBMUJFWSA-N 0 0 316.361 0.054 50 0 DCAARN O=C(NCCN1C(=O)Cc2ccccc21)C(=O)Nc1cccnc1 ZINC000065622816 184374708 /nfs/dbraw/zinc/37/47/08/184374708.db2.gz FUWKFCLTIZKLPM-UHFFFAOYSA-N 0 0 324.340 0.726 50 0 DCAARN CCc1[nH]c(C(=O)N2CCNC(=O)CC2)c(C)c1C(=O)OC ZINC000065902922 184381924 /nfs/dbraw/zinc/38/19/24/184381924.db2.gz ZAYNVIGZRWOOJH-UHFFFAOYSA-N 0 0 307.350 0.634 50 0 DCAARN COc1nc(C)cc(C)c1CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000067180881 184452998 /nfs/dbraw/zinc/45/29/98/184452998.db2.gz HTAYVVBYIQRFHW-SNVBAGLBSA-N 0 0 315.395 0.261 50 0 DCAARN CS(=O)(=O)N1CCO[C@@H](CNC(=O)CCC2CCCC2)C1 ZINC000067724369 184482847 /nfs/dbraw/zinc/48/28/47/184482847.db2.gz DKBGVMJMMVSOOQ-ZDUSSCGKSA-N 0 0 318.439 0.733 50 0 DCAARN O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000119890411 195057139 /nfs/dbraw/zinc/05/71/39/195057139.db2.gz QUFFEWBLDLLWIN-CYBMUJFWSA-N 0 0 315.377 0.769 50 0 DCAARN CCN1CC2(CCC1=O)CCN(C(=O)c1cnc[nH]c1=O)CC2 ZINC000091536971 285182896 /nfs/dbraw/zinc/18/28/96/285182896.db2.gz HHAUKRVWAKXDLS-UHFFFAOYSA-N 0 0 318.377 0.635 50 0 DCAARN CCn1nccc1S(=O)(=O)NCc1ccc(C(=O)NC)cc1 ZINC000351586614 254349708 /nfs/dbraw/zinc/34/97/08/254349708.db2.gz NADUTEFDLGRCJH-UHFFFAOYSA-N 0 0 322.390 0.741 50 0 DCAARN C[C@@H]1CN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C[C@@H](C)O1 ZINC000252452389 256611124 /nfs/dbraw/zinc/61/11/24/256611124.db2.gz GKUPSWCTPRNJAP-FDYHWXHSSA-N 0 0 306.362 0.573 50 0 DCAARN O=C1CCN(c2ncc(I)cn2)CCN1 ZINC000127946149 257240594 /nfs/dbraw/zinc/24/05/94/257240594.db2.gz QTCYVGODPIRSIS-UHFFFAOYSA-N 0 0 318.118 0.408 50 0 DCAARN CC(=O)NCCOCCSc1nc2nc(C)cc(C)n2n1 ZINC000521394504 257240943 /nfs/dbraw/zinc/24/09/43/257240943.db2.gz DEROUTJYXFUADB-UHFFFAOYSA-N 0 0 309.395 0.986 50 0 DCAARN Cc1nc2c(c(=O)[nH]1)CCN(C(=O)COC[C@H]1CCCO1)CC2 ZINC000426711488 257243392 /nfs/dbraw/zinc/24/33/92/257243392.db2.gz QEYZXKADRAGVBS-GFCCVEGCSA-N 0 0 321.377 0.613 50 0 DCAARN [NH3+]CCCOc1ccc(C(=O)NCCc2nnn[n-]2)cc1Cl ZINC000426727560 257243535 /nfs/dbraw/zinc/24/35/35/257243535.db2.gz WQMZMOFYCIAMES-UHFFFAOYSA-N 0 0 324.772 0.553 50 0 DCAARN CCc1nnc(CN2CCn3nc(CNC(C)=O)cc3C2)[nH]1 ZINC000426647903 257244958 /nfs/dbraw/zinc/24/49/58/257244958.db2.gz JSHJBSBJEOEQIE-UHFFFAOYSA-N 0 0 303.370 0.216 50 0 DCAARN O=C(Cc1n[nH]c(=O)[n-]1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426618417 257245207 /nfs/dbraw/zinc/24/52/07/257245207.db2.gz WGFZDOUYDCDPQS-LBPRGKRZSA-N 0 0 301.350 0.444 50 0 DCAARN CC(C)C(=O)N1CCn2nc(CNC(=O)c3ccon3)cc2C1 ZINC000426563569 257245838 /nfs/dbraw/zinc/24/58/38/257245838.db2.gz YBCODRNHYNCCRK-UHFFFAOYSA-N 0 0 317.349 0.799 50 0 DCAARN Cc1cccn2cc(C(=O)N3CC[C@@H](CS(N)(=O)=O)C3)nc12 ZINC000426544914 257246958 /nfs/dbraw/zinc/24/69/58/257246958.db2.gz CYXLLNWQZBMOIA-LLVKDONJSA-N 0 0 322.390 0.393 50 0 DCAARN Cc1nnc(C2CCN(C(=O)CN3CCN(C)C3=O)CC2)[nH]1 ZINC000426537434 257246963 /nfs/dbraw/zinc/24/69/63/257246963.db2.gz GPSUBQQEIDWHPA-UHFFFAOYSA-N 0 0 306.370 0.187 50 0 DCAARN Cc1nncn1CC[N@@H+]1CCC[C@H](c2ccn(CCO)n2)C1 ZINC000426541255 257247269 /nfs/dbraw/zinc/24/72/69/257247269.db2.gz JKOVQJDDULXKDR-AWEZNQCLSA-N 0 0 304.398 0.655 50 0 DCAARN CN1CCN(CC(=O)NCc2ccc(-c3ncon3)cc2)C1=O ZINC000426523371 257247895 /nfs/dbraw/zinc/24/78/95/257247895.db2.gz FDVRVWDVIWEPHS-UHFFFAOYSA-N 0 0 315.333 0.720 50 0 DCAARN Nc1ncccc1CNC(=O)c1cnc2c(O)cccn2c1=O ZINC000426505654 257248353 /nfs/dbraw/zinc/24/83/53/257248353.db2.gz FVSKSNFQMZAYRD-UHFFFAOYSA-N 0 0 311.301 0.307 50 0 DCAARN Cc1ccc(CNC(=O)N2CCN(CCOCCO)CC2)cc1 ZINC000426490206 257249736 /nfs/dbraw/zinc/24/97/36/257249736.db2.gz JTSLJZKJAAYDTC-UHFFFAOYSA-N 0 0 321.421 0.831 50 0 DCAARN CCCc1nnsc1C(=O)N[C@@H]1CCN(C(C)=O)C[C@H]1O ZINC000426423261 257251526 /nfs/dbraw/zinc/25/15/26/257251526.db2.gz DENNAXKQSYJDBJ-MWLCHTKSSA-N 0 0 312.395 0.202 50 0 DCAARN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1onc2c1CCCC2 ZINC000426382952 257252532 /nfs/dbraw/zinc/25/25/32/257252532.db2.gz BBEADYNIJYPNDT-GHMZBOCLSA-N 0 0 314.363 0.095 50 0 DCAARN C[C@H](CNc1cc(N2CCC[C@H]2CO)ncn1)N1CCOCC1 ZINC000257365235 257256587 /nfs/dbraw/zinc/25/65/87/257256587.db2.gz WIMCNWSAXYBZTD-KGLIPLIRSA-N 0 0 321.425 0.570 50 0 DCAARN Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCNC3=O)n2)s1 ZINC000058306547 257270152 /nfs/dbraw/zinc/27/01/52/257270152.db2.gz PKFXJVFHLXVEOA-UHFFFAOYSA-N 0 0 318.358 0.832 50 0 DCAARN CNC(=O)COc1ccc(CNC(=O)c2ccc[nH]c2=O)cc1 ZINC000071820038 184852382 /nfs/dbraw/zinc/85/23/82/184852382.db2.gz SAACPSDACMTPCN-UHFFFAOYSA-N 0 0 315.329 0.430 50 0 DCAARN O=C(CN1C(=O)CNC1=O)N1CCC(c2ccccc2)CC1 ZINC000071795938 184843855 /nfs/dbraw/zinc/84/38/55/184843855.db2.gz CDYGDLFWSBOCGR-UHFFFAOYSA-N 0 0 301.346 0.944 50 0 DCAARN O=C(COCC1CC1)N1CCN(C(=O)Cc2ccccn2)CC1 ZINC000071799489 184845964 /nfs/dbraw/zinc/84/59/64/184845964.db2.gz KYYBPOLEIITCFK-UHFFFAOYSA-N 0 0 317.389 0.722 50 0 DCAARN CCNC(=O)[C@@H](C)NS(=O)(=O)C[C@H](OC)c1ccccc1 ZINC000296105106 131941614 /nfs/dbraw/zinc/94/16/14/131941614.db2.gz XMQWWURSBQQJCO-YPMHNXCESA-N 0 0 314.407 0.818 50 0 DCAARN Cn1cc(SCC(=O)N2CCN(c3ncccn3)CC2)cn1 ZINC000257173588 134403589 /nfs/dbraw/zinc/40/35/89/134403589.db2.gz RLJMUDNMUXQXGN-UHFFFAOYSA-N 0 0 318.406 0.651 50 0 DCAARN O=S(=O)(c1ccc(N2CCOCC2)cc1)N1CCOCC1 ZINC000004058347 134457716 /nfs/dbraw/zinc/45/77/16/134457716.db2.gz NJHLCXAESSTKQQ-UHFFFAOYSA-N 0 0 312.391 0.544 50 0 DCAARN O=C1CN(c2ccc(S(=O)(=O)NC3CCCC3)cn2)CCN1 ZINC000014199951 134519547 /nfs/dbraw/zinc/51/95/47/134519547.db2.gz QWUXZULPIXPFMH-UHFFFAOYSA-N 0 0 324.406 0.239 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(c2ncnc3ccccc32)CC1 ZINC000026713912 134666390 /nfs/dbraw/zinc/66/63/90/134666390.db2.gz CYFZHOJOMQGLOT-UHFFFAOYSA-N 0 0 321.406 0.558 50 0 DCAARN C[C@@H](C(=O)NCc1ccnc(N2CCOCC2)c1)n1cncn1 ZINC000030108486 134675932 /nfs/dbraw/zinc/67/59/32/134675932.db2.gz LNTYOKMPIHGIPU-LBPRGKRZSA-N 0 0 316.365 0.387 50 0 DCAARN CCN(CC)C(=O)N1CCN(c2ccc3nnnn3n2)CC1 ZINC000040520127 134714427 /nfs/dbraw/zinc/71/44/27/134714427.db2.gz LSZXBFUTVTVHIT-UHFFFAOYSA-N 0 0 304.358 0.103 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)OC(=O)CNC(=O)c1cccc(C)c1 ZINC000008233441 395684319 /nfs/dbraw/zinc/68/43/19/395684319.db2.gz PDAVVIHUIRNGBI-JTQLQIEISA-N 0 0 321.333 0.112 50 0 DCAARN CC(=O)N1CCN(C(=O)CSc2nnc3ccccn32)CC1 ZINC000008245022 395684321 /nfs/dbraw/zinc/68/43/21/395684321.db2.gz XXDGJJSIEWCHHV-UHFFFAOYSA-N 0 0 319.390 0.512 50 0 DCAARN CCNC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000008324941 395684476 /nfs/dbraw/zinc/68/44/76/395684476.db2.gz CVNVZGUCXXXXSX-NSHDSACASA-N 0 0 307.375 0.736 50 0 DCAARN CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1NCCO ZINC000009162712 395685195 /nfs/dbraw/zinc/68/51/95/395685195.db2.gz JTSQJWQDQWUFIP-JTQLQIEISA-N 0 0 323.349 0.482 50 0 DCAARN COCCNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000009949393 395685843 /nfs/dbraw/zinc/68/58/43/395685843.db2.gz KEIGOMGESBMHGQ-UHFFFAOYSA-N 0 0 315.167 0.942 50 0 DCAARN Nn1c(=O)c2ccccc2nc1SCC(=O)N1CCCC1 ZINC000011519681 395686658 /nfs/dbraw/zinc/68/66/58/395686658.db2.gz IKWJPEBJQLUPRY-UHFFFAOYSA-N 0 0 304.375 0.825 50 0 DCAARN CCOC(=O)N1CCN(S(=O)(=O)c2cn(C)nc2C)CC1 ZINC000011923639 395686996 /nfs/dbraw/zinc/68/69/96/395686996.db2.gz MMGZODKWZOFSHZ-UHFFFAOYSA-N 0 0 316.383 0.191 50 0 DCAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1N1CCC(O)CC1 ZINC000012226897 395687277 /nfs/dbraw/zinc/68/72/77/395687277.db2.gz LGGBDGNWAXXNDQ-UHFFFAOYSA-N 0 0 318.377 0.156 50 0 DCAARN C[C@@H]1C(=O)NCCN1C(=O)CCCS(=O)(=O)c1ccccc1 ZINC000012443714 395687641 /nfs/dbraw/zinc/68/76/41/395687641.db2.gz PYGOSMVOAYZOOA-GFCCVEGCSA-N 0 0 324.402 0.587 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)CN2CCc3ccccc32)CC1 ZINC000012544055 395687691 /nfs/dbraw/zinc/68/76/91/395687691.db2.gz ISXRXAFETRLVNF-UHFFFAOYSA-N 0 0 323.418 0.153 50 0 DCAARN CCNS(=O)(=O)c1cc(C(=O)NCCOC)ccc1OC ZINC000012651037 395687948 /nfs/dbraw/zinc/68/79/48/395687948.db2.gz CXHAZBGNCZGKEJ-UHFFFAOYSA-N 0 0 316.379 0.370 50 0 DCAARN CN(C(=O)CCNC(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000012775939 395687989 /nfs/dbraw/zinc/68/79/89/395687989.db2.gz LFKDCPXLXMHAFK-CYBMUJFWSA-N 0 0 324.402 0.452 50 0 DCAARN COCCNC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1C ZINC000012781256 395688041 /nfs/dbraw/zinc/68/80/41/395688041.db2.gz JHWFBCBOJYXUJY-UHFFFAOYSA-N 0 0 318.370 0.517 50 0 DCAARN C[C@H]1NC(=S)N(C[C@@H]2CN(Cc3ccccc3)CCO2)C1=O ZINC000012924530 395688101 /nfs/dbraw/zinc/68/81/01/395688101.db2.gz VLAOUUISLNZGAM-OCCSQVGLSA-N 0 0 319.430 0.993 50 0 DCAARN C[C@@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000014139937 395689202 /nfs/dbraw/zinc/68/92/02/395689202.db2.gz XYRCBOSBJFDGBT-PHIMTYICSA-N 0 0 320.345 0.781 50 0 DCAARN C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(F)cc1F ZINC000014140028 395689249 /nfs/dbraw/zinc/68/92/49/395689249.db2.gz VRJHGNJOVFFONP-MRVPVSSYSA-N 0 0 309.272 0.692 50 0 DCAARN C[C@H]1CCc2c(sc(NC(=O)Cn3cnnn3)c2C(N)=O)C1 ZINC000014230446 395689314 /nfs/dbraw/zinc/68/93/14/395689314.db2.gz BNBVFIGZMQIDFW-ZETCQYMHSA-N 0 0 320.378 0.597 50 0 DCAARN Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cnn(C)c1C ZINC000014250122 395689493 /nfs/dbraw/zinc/68/94/93/395689493.db2.gz HCLFJNOFTOSATR-UHFFFAOYSA-N 0 0 311.411 0.900 50 0 DCAARN COc1cccc(CN2CCN3C(=O)[C@@H](C)NC(=O)[C@H]3C2)c1 ZINC000014750315 395689553 /nfs/dbraw/zinc/68/95/53/395689553.db2.gz SUDUIMNRUPMQRV-BXUZGUMPSA-N 0 0 303.362 0.226 50 0 DCAARN COc1ccc(C=NNc2[nH]c(=O)nnc2C)cc1[N+](=O)[O-] ZINC000015923563 395690167 /nfs/dbraw/zinc/69/01/67/395690167.db2.gz GKQIVQUXCKZPCI-UHFFFAOYSA-N 0 0 304.266 0.836 50 0 DCAARN C[C@@H]1NC(C(=O)Nc2cnn(C)c2)=NN(c2ccccc2)C1=O ZINC000025310200 395693367 /nfs/dbraw/zinc/69/33/67/395693367.db2.gz FLHIWOHMRMUOGJ-JTQLQIEISA-N 0 0 312.333 0.697 50 0 DCAARN Cc1ccc(Nc2nc3nonc3n3c(CC(N)=O)nnc23)cc1 ZINC000000054184 395679652 /nfs/dbraw/zinc/67/96/52/395679652.db2.gz YAWNIEMZRHGEOR-UHFFFAOYSA-N 0 0 324.304 0.740 50 0 DCAARN Nc1ncnc2nc(SCC(=O)NCc3ccco3)[nH]c21 ZINC000000029013 395679686 /nfs/dbraw/zinc/67/96/86/395679686.db2.gz XFKWLRUSFJCSSS-UHFFFAOYSA-N 0 0 304.335 0.937 50 0 DCAARN NC(=O)C1CCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000000100357 395679815 /nfs/dbraw/zinc/67/98/15/395679815.db2.gz GZMLXNCOTWDBHK-ZDUSSCGKSA-N 0 0 301.346 0.516 50 0 DCAARN CC(=O)Cn1c(N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000099738 395679831 /nfs/dbraw/zinc/67/98/31/395679831.db2.gz KIOWFXZVDXMYGQ-UHFFFAOYSA-N 0 0 319.365 0.013 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)[C@@H]2C)cc1 ZINC000000189526 395679985 /nfs/dbraw/zinc/67/99/85/395679985.db2.gz VMXYMCGZNOQWMQ-NSHDSACASA-N 0 0 318.420 0.607 50 0 DCAARN CC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000000371444 395680297 /nfs/dbraw/zinc/68/02/97/395680297.db2.gz SMBDNZHKTNOBSJ-UHFFFAOYSA-N 0 0 318.420 0.755 50 0 DCAARN Cc1ccc(C(=O)Cn2cnc3c2c(=O)[nH]c(=O)n3C)c(C)c1 ZINC000000390137 395680311 /nfs/dbraw/zinc/68/03/11/395680311.db2.gz YCAAVJDBUYIHRQ-UHFFFAOYSA-N 0 0 312.329 0.923 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000000412474 395680356 /nfs/dbraw/zinc/68/03/56/395680356.db2.gz OPUFBFOJQQYXDW-UHFFFAOYSA-N 0 0 318.420 0.261 50 0 DCAARN Cc1cccc(C)c1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O ZINC000000423269 395680472 /nfs/dbraw/zinc/68/04/72/395680472.db2.gz ICRIFQNXEXYQLK-UHFFFAOYSA-N 0 0 309.347 0.789 50 0 DCAARN COC(=O)C1=C[C@@]2(CC(=O)N(c3cccc(Cl)c3)C2=O)NN1 ZINC000000535303 395680550 /nfs/dbraw/zinc/68/05/50/395680550.db2.gz JNBPNPAIURBNIL-AWEZNQCLSA-N 0 0 321.720 0.864 50 0 DCAARN Cc1nc(C)c(I)c(OCC(N)=O)n1 ZINC000001392885 395680820 /nfs/dbraw/zinc/68/08/20/395680820.db2.gz ZBZIGBBTAMRHMV-UHFFFAOYSA-N 0 0 307.091 0.562 50 0 DCAARN Cc1c(CCO)c(=O)[nH]n1S(=O)(=O)c1ccc(F)cc1 ZINC000001393750 395680843 /nfs/dbraw/zinc/68/08/43/395680843.db2.gz ZPFHXUFDPGPICV-UHFFFAOYSA-N 0 0 300.311 0.396 50 0 DCAARN O=C(NCCNC1=NS(=O)(=O)c2ccccc21)c1ccco1 ZINC000002123497 395681258 /nfs/dbraw/zinc/68/12/58/395681258.db2.gz ZQZVSJQKECIVHJ-UHFFFAOYSA-N 0 0 319.342 0.748 50 0 DCAARN CN1C(=O)N[C@](NC(=O)c2ccncc2)(C(F)(F)F)C1=O ZINC000002265166 395681453 /nfs/dbraw/zinc/68/14/53/395681453.db2.gz MKPDUYUPBFHKGJ-JTQLQIEISA-N 0 0 302.212 0.456 50 0 DCAARN COCCn1c(N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000002447801 395681594 /nfs/dbraw/zinc/68/15/94/395681594.db2.gz OXYZYCSXCKBPIE-UHFFFAOYSA-N 0 0 321.381 0.070 50 0 DCAARN COc1cc(OC)cc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1 ZINC000002711201 395681826 /nfs/dbraw/zinc/68/18/26/395681826.db2.gz RYTNNDMLDBTMAW-UHFFFAOYSA-N 0 0 319.317 0.354 50 0 DCAARN CC(C)C(=O)NC(=O)COC(=O)CNC(=O)c1ccccc1 ZINC000003272030 395682366 /nfs/dbraw/zinc/68/23/66/395682366.db2.gz MSBVDIRYALJJIA-UHFFFAOYSA-N 0 0 306.318 0.258 50 0 DCAARN CCOC(=O)CC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000003278520 395682409 /nfs/dbraw/zinc/68/24/09/395682409.db2.gz BZENDRQFWGLDRW-UHFFFAOYSA-N 0 0 311.315 0.353 50 0 DCAARN C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C1CC1 ZINC000008155565 395684131 /nfs/dbraw/zinc/68/41/31/395684131.db2.gz RFHLQTSATKTCTF-SECBINFHSA-N 0 0 308.359 0.746 50 0 DCAARN O=C(c1cnccn1)N1CCN(C[C@@H](O)c2ccco2)CC1 ZINC000085436775 395700320 /nfs/dbraw/zinc/70/03/20/395700320.db2.gz OTFZUBYCLPZQIH-CYBMUJFWSA-N 0 0 302.334 0.561 50 0 DCAARN Cc1nnsc1C(=O)N1CCN(C[C@H](O)c2ccco2)CC1 ZINC000085436771 395700361 /nfs/dbraw/zinc/70/03/61/395700361.db2.gz RALATFUNCNAQLO-NSHDSACASA-N 0 0 322.390 0.931 50 0 DCAARN C[C@@H](O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000085467237 395700807 /nfs/dbraw/zinc/70/08/07/395700807.db2.gz PZALTGQDDTXITF-SNVBAGLBSA-N 0 0 320.361 0.652 50 0 DCAARN CCOC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000030805301 395704337 /nfs/dbraw/zinc/70/43/37/395704337.db2.gz UGNYTACDRJBNHI-GHMZBOCLSA-N 0 0 318.395 0.158 50 0 DCAARN CN1CCN(C(=O)c2cccc(CN3CCOCC3)c2)CC1 ZINC000030861204 395704805 /nfs/dbraw/zinc/70/48/05/395704805.db2.gz PRVUXNLZPILCKY-UHFFFAOYSA-N 0 0 303.406 0.906 50 0 DCAARN O=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CCS(=O)(=O)C1 ZINC000031034950 395705064 /nfs/dbraw/zinc/70/50/64/395705064.db2.gz AWCFCXSOECLSBY-SNVBAGLBSA-N 0 0 312.347 0.402 50 0 DCAARN O=C(NCc1cccnc1N1CCOCC1)c1ccc(=O)[nH]n1 ZINC000031326057 395706154 /nfs/dbraw/zinc/70/61/54/395706154.db2.gz APSWCGXYOZTENQ-UHFFFAOYSA-N 0 0 315.333 0.344 50 0 DCAARN CN1N=C(C(=O)NCc2ccc(N3CCCC3)nc2)CCC1=O ZINC000031315492 395706375 /nfs/dbraw/zinc/70/63/75/395706375.db2.gz LVBBPDFBEBIXNJ-UHFFFAOYSA-N 0 0 315.377 0.906 50 0 DCAARN O=C(c1cnccn1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000031280277 395706426 /nfs/dbraw/zinc/70/64/26/395706426.db2.gz DSQTVZJJGKLXDB-UHFFFAOYSA-N 0 0 304.350 0.188 50 0 DCAARN CCc1nnc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)o1 ZINC000031711516 395707632 /nfs/dbraw/zinc/70/76/32/395707632.db2.gz IFTHLQVXZPMRDQ-UHFFFAOYSA-N 0 0 312.351 0.092 50 0 DCAARN O=C(Cc1noc(C(=O)NCCCO)n1)Nc1ccccc1 ZINC000032103658 395709522 /nfs/dbraw/zinc/70/95/22/395709522.db2.gz XHUCTGDBZFPBOS-UHFFFAOYSA-N 0 0 304.306 0.363 50 0 DCAARN CCn1cc(S(=O)(=O)N[C@H]2CCCCC23OCCO3)cn1 ZINC000089309907 395710178 /nfs/dbraw/zinc/71/01/78/395710178.db2.gz VCMDAXKKLUMVHY-LBPRGKRZSA-N 0 0 315.395 0.867 50 0 DCAARN CCn1c(=O)c2c(nc1NCCn1cccn1)c(C)nn2C ZINC000032651930 395711950 /nfs/dbraw/zinc/71/19/50/395711950.db2.gz IKPTUNGAOYMLIN-UHFFFAOYSA-N 0 0 301.354 0.767 50 0 DCAARN C[C@H](Sc1ccccn1)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000089478600 395712128 /nfs/dbraw/zinc/71/21/28/395712128.db2.gz MMKXNMGCGGRGMO-STQMWFEESA-N 0 0 306.435 0.678 50 0 DCAARN Cc1cccc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)c1 ZINC000032689078 395712427 /nfs/dbraw/zinc/71/24/27/395712427.db2.gz VJLKSETXSYHCRJ-UHFFFAOYSA-N 0 0 301.302 0.887 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCc1ccoc1 ZINC000089486713 395712509 /nfs/dbraw/zinc/71/25/09/395712509.db2.gz YIEXZPYUHBCTAB-GFCCVEGCSA-N 0 0 315.395 0.893 50 0 DCAARN CCCn1nnnc1COC(=O)c1ccccc1-n1cnnn1 ZINC000032745261 395712804 /nfs/dbraw/zinc/71/28/04/395712804.db2.gz HFIQGPABRQVSSI-UHFFFAOYSA-N 0 0 314.309 0.416 50 0 DCAARN COCC(=O)Nc1ccc(N[C@H](C)C(=O)N2CCNC2=O)cc1 ZINC000032771666 395713258 /nfs/dbraw/zinc/71/32/58/395713258.db2.gz VWZFCJPGRGBPGM-SNVBAGLBSA-N 0 0 320.349 0.624 50 0 DCAARN C[C@H](OC(=O)c1nccnc1N)C(=O)NCc1cccs1 ZINC000032776170 395713389 /nfs/dbraw/zinc/71/33/89/395713389.db2.gz KWWQESKTDNOMQV-QMMMGPOBSA-N 0 0 306.347 0.982 50 0 DCAARN COc1ccc(CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000032784469 395713474 /nfs/dbraw/zinc/71/34/74/395713474.db2.gz FJEQMSZGODANAP-SNVBAGLBSA-N 0 0 301.339 0.680 50 0 DCAARN Cn1cnnc1CNC(=O)N1CCN(Cc2cccs2)CC1 ZINC000032803536 395713610 /nfs/dbraw/zinc/71/36/10/395713610.db2.gz TXRREZUIKCYAMZ-UHFFFAOYSA-N 0 0 320.422 0.904 50 0 DCAARN Nc1ccccc1C1=NN[C@@]2(CC(c3ccco3)=NN2)C(=O)N1 ZINC000032815342 395713857 /nfs/dbraw/zinc/71/38/57/395713857.db2.gz UJRMZCPFGRZORA-HNNXBMFYSA-N 0 0 310.317 0.337 50 0 DCAARN Cc1cnc(CN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)cn1 ZINC000089702248 395714485 /nfs/dbraw/zinc/71/44/85/395714485.db2.gz GNRPRRTZADIQGD-OAHLLOKOSA-N 0 0 303.366 0.690 50 0 DCAARN O=C(NCCCn1cncn1)NC[C@H](O)c1ccccc1F ZINC000089813260 395715385 /nfs/dbraw/zinc/71/53/85/395715385.db2.gz VUDZBZPRDFNRRF-ZDUSSCGKSA-N 0 0 307.329 0.840 50 0 DCAARN CC(C)[C@H](CNC(=O)N[C@H](C)Cn1cccn1)N1CCOCC1 ZINC000089791348 395715390 /nfs/dbraw/zinc/71/53/90/395715390.db2.gz POBVHRFGPVJFOH-CABCVRRESA-N 0 0 323.441 0.928 50 0 DCAARN O=C(Nc1nncs1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000089834841 395716020 /nfs/dbraw/zinc/71/60/20/395716020.db2.gz WQPMPNYRPDXWJA-LLVKDONJSA-N 0 0 318.358 0.904 50 0 DCAARN C[C@@H](NC(=O)NCCN1CCCCCC1=O)c1nncn1C ZINC000089913974 395716523 /nfs/dbraw/zinc/71/65/23/395716523.db2.gz GKWQHCDCODZWLY-LLVKDONJSA-N 0 0 308.386 0.578 50 0 DCAARN C=CCN1C(=O)[N-]C(=O)C(=C(CC)NCC[NH+](CC)CC)C1=O ZINC000033938093 395717658 /nfs/dbraw/zinc/71/76/58/395717658.db2.gz ZQYCXXUIVBWWQN-OUKQBFOZSA-N 0 0 322.409 0.846 50 0 DCAARN COc1cc2nc(N(C)CCCNC=O)nc(N)c2cc1OC ZINC000034963992 395718481 /nfs/dbraw/zinc/71/84/81/395718481.db2.gz FWNCTLUUKXETML-UHFFFAOYSA-N 0 0 319.365 0.802 50 0 in-vitro DCAARN O=C(CN1CCN(c2cnccn2)CC1)NCc1cccs1 ZINC000027629366 395695304 /nfs/dbraw/zinc/69/53/04/395695304.db2.gz JFJAXWHUDRGNTR-UHFFFAOYSA-N 0 0 317.418 0.977 50 0 DCAARN CCn1cc(CNC(=O)Cc2ccc(-n3cnnn3)cc2)cn1 ZINC000028236006 395695929 /nfs/dbraw/zinc/69/59/29/395695929.db2.gz OTTKZOUKYLADAL-UHFFFAOYSA-N 0 0 311.349 0.738 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)cc1 ZINC000028327785 395695950 /nfs/dbraw/zinc/69/59/50/395695950.db2.gz LZMYRHLJZDRNBW-MFKMUULPSA-N 0 0 312.391 0.892 50 0 DCAARN CN1CCN(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000028901026 395696438 /nfs/dbraw/zinc/69/64/38/395696438.db2.gz MRIDFMFTRJZBLX-UHFFFAOYSA-N 0 0 311.407 0.276 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cccc3cn[nH]c32)C1 ZINC000029199448 395697148 /nfs/dbraw/zinc/69/71/48/395697148.db2.gz IFPIRKDVQJLONI-LLVKDONJSA-N 0 0 322.390 0.717 50 0 DCAARN C[C@H](CCc1ccccc1)NC(=O)NCCNS(C)(=O)=O ZINC000029319575 395697534 /nfs/dbraw/zinc/69/75/34/395697534.db2.gz MRUNQFLBYLCORZ-GFCCVEGCSA-N 0 0 313.423 0.856 50 0 DCAARN O=C(CC1CCCC1)N1CCN(c2ccc3nnnn3n2)CC1 ZINC000029529138 395698702 /nfs/dbraw/zinc/69/87/02/395698702.db2.gz PNWPPLYTWKCDER-UHFFFAOYSA-N 0 0 315.381 0.748 50 0 DCAARN CC(C)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000038530492 395732567 /nfs/dbraw/zinc/73/25/67/395732567.db2.gz KFZDXHIUFKJLDQ-UHFFFAOYSA-N 0 0 319.409 0.618 50 0 DCAARN Cc1cc(S(N)(=O)=O)cc(NC(=O)[C@@H]2CSCN2)c1C ZINC000037017631 395725565 /nfs/dbraw/zinc/72/55/65/395725565.db2.gz HMSULSGDDYWSLQ-NSHDSACASA-N 0 0 315.420 0.552 50 0 DCAARN Cc1cccc(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 ZINC000037489146 395727652 /nfs/dbraw/zinc/72/76/52/395727652.db2.gz JXSSBYGSLHGAOA-LSDHHAIUSA-N 0 0 310.419 0.275 50 0 DCAARN C[C@@H](Cn1cccn1)NS(=O)(=O)c1ncn(C)c1Cl ZINC000037989566 395730183 /nfs/dbraw/zinc/73/01/83/395730183.db2.gz NHUAPFIDLSHWAB-QMMMGPOBSA-N 0 0 303.775 0.637 50 0 DCAARN CN(Cc1noc(C2CC2)n1)[C@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC000095402288 395740574 /nfs/dbraw/zinc/74/05/74/395740574.db2.gz QFXWUFJWRYLDLK-STQMWFEESA-N 0 0 319.409 0.684 50 0 DCAARN COCC[N@@H+]1C[C@@H]2CN(Cc3cc(C)no3)C[C@]2(C(=O)[O-])C1 ZINC000096161116 395746871 /nfs/dbraw/zinc/74/68/71/395746871.db2.gz YRJJTZOUBQGLAE-IUODEOHRSA-N 0 0 309.366 0.448 50 0 DCAARN CNC(=O)COc1ccc(S(=O)(=O)NCCOC)cc1C ZINC000096193172 395748257 /nfs/dbraw/zinc/74/82/57/395748257.db2.gz YZUIHHDRIONPCW-UHFFFAOYSA-N 0 0 316.379 0.045 50 0 DCAARN O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cnn(-c2ccccc2)c1 ZINC000096133390 395745579 /nfs/dbraw/zinc/74/55/79/395745579.db2.gz DSTWTQSDVZHZNS-GFCCVEGCSA-N 0 0 303.343 0.913 50 0 DCAARN O=C(NCC1CCN(C(=O)c2ccoc2)CC1)N1CCNC1=O ZINC000096120565 395745741 /nfs/dbraw/zinc/74/57/41/395745741.db2.gz DOXKDSMGFUVVGP-UHFFFAOYSA-N 0 0 320.349 0.867 50 0 DCAARN C[C@@]1(O)CCN(C(=O)c2ccc3c(c2)NC(=O)CN3)C[C@@H]1O ZINC000096150622 395746079 /nfs/dbraw/zinc/74/60/79/395746079.db2.gz SMVKQASYAQJOHY-SWLSCSKDSA-N 0 0 305.334 0.008 50 0 DCAARN Cn1c(=O)c(C(=O)N2CC[C@](C)(O)[C@@H](O)C2)cc2c1CCCC2 ZINC000096141091 395746133 /nfs/dbraw/zinc/74/61/33/395746133.db2.gz TXYAXAMUGIXVTR-YOEHRIQHSA-N 0 0 320.389 0.222 50 0 DCAARN Cn1cc(/C=C\C(=O)NCCCOCC2CC2)c(=O)n(C)c1=O ZINC000096400613 395752962 /nfs/dbraw/zinc/75/29/62/395752962.db2.gz MGIFHCRNQJVTKF-SREVYHEPSA-N 0 0 321.377 0.030 50 0 DCAARN CCOC(=O)N1CCC(NC(=O)CCc2nncn2C)CC1 ZINC000097446916 395758167 /nfs/dbraw/zinc/75/81/67/395758167.db2.gz JPTCTPQWBIONKX-UHFFFAOYSA-N 0 0 309.370 0.485 50 0 DCAARN CCS(=O)(=O)CCN1CCN(Cc2cccc(O)c2)CC1 ZINC000096452011 395753828 /nfs/dbraw/zinc/75/38/28/395753828.db2.gz CVMWXMXSMWYWFM-UHFFFAOYSA-N 0 0 312.435 0.945 50 0 DCAARN O=C(/C=C\c1ccccc1)OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000096488254 395753943 /nfs/dbraw/zinc/75/39/43/395753943.db2.gz QDAOYASWNFHGMP-FWWRYZNZSA-N 0 0 323.370 0.546 50 0 DCAARN Cc1cc(S(=O)(=O)N[C@@H]2CCN(C)C2=O)c(F)cc1F ZINC000096460842 395753978 /nfs/dbraw/zinc/75/39/78/395753978.db2.gz QWUAUTUKKPHZPR-SNVBAGLBSA-N 0 0 304.318 0.782 50 0 DCAARN OCCOCCOCCOCCOCCO[C@@H]1CCCCO1 ZINC000096503437 395754289 /nfs/dbraw/zinc/75/42/89/395754289.db2.gz ZEGHHDSVKRWOCB-OAHLLOKOSA-N 0 0 322.398 0.588 50 0 DCAARN COCC(=O)N1CCN(c2ccc(-c3noc(C)n3)cn2)CC1 ZINC000044094064 395755519 /nfs/dbraw/zinc/75/55/19/395755519.db2.gz LUDNTEVWHWOQDV-UHFFFAOYSA-N 0 0 317.349 0.735 50 0 DCAARN CC(C)NC(=O)[C@@H](C)N1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000097378013 395757744 /nfs/dbraw/zinc/75/77/44/395757744.db2.gz MRJUCSDXMMEIJX-MNOVXSKESA-N 0 0 311.348 0.440 50 0 DCAARN CCS(=O)(=O)c1ccc(N2CCN(CCO)CC2)cc1N ZINC000042783784 395749159 /nfs/dbraw/zinc/74/91/59/395749159.db2.gz VBTLWJKWEWQXTC-UHFFFAOYSA-N 0 0 313.423 0.177 50 0 DCAARN COCCN1C(=O)C(=C(C)Nc2ccccn2)C(=O)NC1=S ZINC000105209969 395779924 /nfs/dbraw/zinc/77/99/24/395779924.db2.gz BESIMGWVGOIXPY-PKNBQFBNSA-N 0 0 320.374 0.657 50 0 DCAARN C[C@@H]1CN(C[C@@H](O)CN2CCc3c(ncn3C)C2)C[C@@H](C)O1 ZINC000106666419 395783874 /nfs/dbraw/zinc/78/38/74/395783874.db2.gz HKACZSQHNXZJHZ-MCIONIFRSA-N 0 0 308.426 0.248 50 0 DCAARN CCc1nc([C@H]2CCCN2CC(=O)NC[C@H]2CCOC2)no1 ZINC000106903381 395784252 /nfs/dbraw/zinc/78/42/52/395784252.db2.gz IMGKBNONUKOWBC-VXGBXAGGSA-N 0 0 308.382 0.922 50 0 DCAARN O[C@H](COCc1ccco1)CN1CCN(c2ncccn2)CC1 ZINC000044866866 395759176 /nfs/dbraw/zinc/75/91/76/395759176.db2.gz AIWYGMJQPQWPFT-AWEZNQCLSA-N 0 0 318.377 0.769 50 0 DCAARN O=C(C[C@H]1NC(=O)c2ccccc21)NCC(=O)N1CCCC1 ZINC000097698940 395760365 /nfs/dbraw/zinc/76/03/65/395760365.db2.gz BAWWGTPHBMQHAX-CYBMUJFWSA-N 0 0 301.346 0.600 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000097941053 395761420 /nfs/dbraw/zinc/76/14/20/395761420.db2.gz LIXQOTJIFYWNQN-SNVBAGLBSA-N 0 0 323.378 0.859 50 0 DCAARN O=C(C=Cc1ccc2c(c1)CCO2)OCCN1C(=O)CNC1=O ZINC000098054598 395761782 /nfs/dbraw/zinc/76/17/82/395761782.db2.gz CIYNOMCSHYYKLO-RQOWECAXSA-N 0 0 316.313 0.730 50 0 DCAARN CN1[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12 ZINC000100068371 395762536 /nfs/dbraw/zinc/76/25/36/395762536.db2.gz STECJAGHUSJQJN-AQGHMYMLSA-N 0 0 303.358 0.918 50 0 in-man DCAARN C[C@H](C(=O)NCc1ccnc(N2CCOCC2)c1)n1cccn1 ZINC000045522712 395763585 /nfs/dbraw/zinc/76/35/85/395763585.db2.gz VOAKCUZBRBXQAF-CYBMUJFWSA-N 0 0 315.377 0.992 50 0 DCAARN Cn1c2c(cccc2F)s/c1=N\C(=O)CN1C(=O)CCC1=O ZINC000100893859 395763940 /nfs/dbraw/zinc/76/39/40/395763940.db2.gz HLYZYNQPHHDIHM-PEZBUJJGSA-N 0 0 321.333 0.955 50 0 DCAARN CN1c2ccccc2[C@H](NC(=O)C(=O)NN2CCCCC2)C1=O ZINC000101452866 395764560 /nfs/dbraw/zinc/76/45/60/395764560.db2.gz GMNLVWICKCUWGK-ZDUSSCGKSA-N 0 0 316.361 0.337 50 0 DCAARN O=C(NCc1ccccc1Cn1cncn1)[C@@H]1CCC(=O)NC1 ZINC000047856522 395802461 /nfs/dbraw/zinc/80/24/61/395802461.db2.gz RLUHOEZYHLFPLJ-CYBMUJFWSA-N 0 0 313.361 0.469 50 0 DCAARN O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCC(F)(F)F ZINC000048326605 395813215 /nfs/dbraw/zinc/81/32/15/395813215.db2.gz LYTZXRPAYATHKQ-UHFFFAOYSA-N 0 0 301.224 0.368 50 0 DCAARN CCN(CCCNC(=O)c1ccccc1O)S(C)(=O)=O ZINC000048746670 395822908 /nfs/dbraw/zinc/82/29/08/395822908.db2.gz FEFIPOQPQYTNLU-UHFFFAOYSA-N 0 0 300.380 0.794 50 0 DCAARN COc1ncccc1CNC(=O)N[C@@H](C)CN1CCOCC1 ZINC000048939302 395825338 /nfs/dbraw/zinc/82/53/38/395825338.db2.gz WOBXRTNGJGLLAO-LBPRGKRZSA-N 0 0 308.382 0.610 50 0 DCAARN COCCn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000048990298 395826018 /nfs/dbraw/zinc/82/60/18/395826018.db2.gz ZVJSBDLVHPQFAX-UHFFFAOYSA-N 0 0 321.381 0.814 50 0 DCAARN Cc1cc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)no1 ZINC000048985394 395826239 /nfs/dbraw/zinc/82/62/39/395826239.db2.gz BAHFXRGFEVFIPT-UHFFFAOYSA-N 0 0 301.368 0.271 50 0 DCAARN C[C@H]1C(=O)Nc2ccccc2N1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000225435868 395859701 /nfs/dbraw/zinc/85/97/01/395859701.db2.gz AMEDEWFFMDOWDH-VHSXEESVSA-N 0 0 308.359 0.795 50 0 DCAARN Cc1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c(N)n1 ZINC000049410843 395832079 /nfs/dbraw/zinc/83/20/79/395832079.db2.gz KQMVQNVIUFXTLP-UHFFFAOYSA-N 0 0 316.317 0.544 50 0 DCAARN CCS(=O)(=O)N1CCN(C(=O)c2cc(C)ccc2O)CC1 ZINC000052152788 395859948 /nfs/dbraw/zinc/85/99/48/395859948.db2.gz KAQSGYXMBZSVOJ-UHFFFAOYSA-N 0 0 312.391 0.808 50 0 DCAARN C[C@@H]1CN(C(C)(C)CNC(=O)[C@H]2CCNC(=O)C2)C[C@H](C)O1 ZINC000225422136 395860045 /nfs/dbraw/zinc/86/00/45/395860045.db2.gz OXVCBCGUTDQNRF-XQQFMLRXSA-N 0 0 311.426 0.517 50 0 DCAARN Cc1nc2ccc(NS(=O)(=O)[C@H](C)C(=O)N(C)C)cn2n1 ZINC000225437413 395860148 /nfs/dbraw/zinc/86/01/48/395860148.db2.gz PIWASKDHEWBOAE-MRVPVSSYSA-N 0 0 311.367 0.256 50 0 DCAARN Cc1nc(N)ncc1C(=O)N1CCN(C2CCCCC2)C(=O)C1 ZINC000217850190 395840895 /nfs/dbraw/zinc/84/08/95/395840895.db2.gz JCOLVMSPFLRUHJ-UHFFFAOYSA-N 0 0 317.393 0.984 50 0 DCAARN CN1C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C12CCCCC2 ZINC000225450185 395860606 /nfs/dbraw/zinc/86/06/06/395860606.db2.gz RZJJVSLCRXPLHA-SNVBAGLBSA-N 0 0 300.380 0.770 50 0 DCAARN C[C@H](Cc1cnccn1)N(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000218902537 395844034 /nfs/dbraw/zinc/84/40/34/395844034.db2.gz KMXWGXFGMCPPDL-SNVBAGLBSA-N 0 0 319.365 0.196 50 0 DCAARN O=C(NCc1nc(-c2cnccn2)n[nH]1)[C@H]1CCC[C@H](O)C1 ZINC000219269812 395844737 /nfs/dbraw/zinc/84/47/37/395844737.db2.gz ZQWUNTWTQPFDSI-UWVGGRQHSA-N 0 0 302.338 0.429 50 0 DCAARN Cc1ccc(CN(C)C(=O)CCn2ccc(=O)[nH]c2=O)s1 ZINC000219117757 395844756 /nfs/dbraw/zinc/84/47/56/395844756.db2.gz ALWPGFKTMWXRMH-UHFFFAOYSA-N 0 0 307.375 0.955 50 0 DCAARN CNC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccccc1SC ZINC000219151429 395844901 /nfs/dbraw/zinc/84/49/01/395844901.db2.gz HCYKVHXRXDEPOT-NSHDSACASA-N 0 0 321.402 0.485 50 0 DCAARN Cc1ccc(CCNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)o1 ZINC000219491316 395845425 /nfs/dbraw/zinc/84/54/25/395845425.db2.gz FXDXOSXRNZZOML-LBPRGKRZSA-N 0 0 314.407 0.366 50 0 DCAARN CC[C@H](NC(=O)c1c[nH]nc1-n1cnnn1)c1cc(C)ccn1 ZINC000219316621 395845551 /nfs/dbraw/zinc/84/55/51/395845551.db2.gz RGAJNVZYVAECIF-NSHDSACASA-N 0 0 312.337 0.970 50 0 DCAARN Cc1ccc(O[C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)nn1 ZINC000225465245 395860762 /nfs/dbraw/zinc/86/07/62/395860762.db2.gz UMEMUEZKOPDATC-OLZOCXBDSA-N 0 0 318.377 0.633 50 0 DCAARN Cc1nc(C)n(CCCNC(=O)CSc2n[nH]c(C)n2)n1 ZINC000220199203 395847634 /nfs/dbraw/zinc/84/76/34/395847634.db2.gz HAEOFKHEVZDPBD-UHFFFAOYSA-N 0 0 309.399 0.620 50 0 DCAARN CC(C)Cc1cc(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)nc(N)n1 ZINC000221218050 395850312 /nfs/dbraw/zinc/85/03/12/395850312.db2.gz CUPHCBVOLZCCBX-GFCCVEGCSA-N 0 0 319.409 0.996 50 0 DCAARN CCOCC(=O)N1CCC(C(=O)N[C@H](C)c2nnc(C)[nH]2)CC1 ZINC000221381030 395850883 /nfs/dbraw/zinc/85/08/83/395850883.db2.gz PCKQMUGOZYSUNR-SNVBAGLBSA-N 0 0 323.397 0.565 50 0 DCAARN Cc1cn(CC(=O)N[C@H]2COC3(C2)CCCCC3)c(=O)[nH]c1=O ZINC000221424581 395850925 /nfs/dbraw/zinc/85/09/25/395850925.db2.gz CTHAKFVZQKMMGL-GFCCVEGCSA-N 0 0 321.377 0.453 50 0 DCAARN CC(=O)c1c(C)nn(CC(=O)N2C[C@H]3CC[C@@H](C2)NC3=O)c1C ZINC000221403294 395851251 /nfs/dbraw/zinc/85/12/51/395851251.db2.gz MLHKIOBADAZWAU-OLZOCXBDSA-N 0 0 318.377 0.440 50 0 DCAARN O=C(COC[C@H]1CCCO1)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000222396208 395852536 /nfs/dbraw/zinc/85/25/36/395852536.db2.gz LVDDQNGUSGGOSE-LLVKDONJSA-N 0 0 305.334 0.668 50 0 DCAARN CS(=O)(=O)NCCC(=O)NCc1noc(-c2ccccc2)n1 ZINC000223405365 395854994 /nfs/dbraw/zinc/85/49/94/395854994.db2.gz VUCXKPQMJBTVMN-UHFFFAOYSA-N 0 0 324.362 0.292 50 0 DCAARN Cn1ncnc1CCNC(=O)CCN1Cc2ccccc2C1=O ZINC000223592209 395855761 /nfs/dbraw/zinc/85/57/61/395855761.db2.gz BOFXONINSUEJDY-UHFFFAOYSA-N 0 0 313.361 0.520 50 0 DCAARN Cc1nc(C)c(CC(=O)N(C)Cc2[nH]nc3c2CCC3)c(=O)[nH]1 ZINC000223512153 395856029 /nfs/dbraw/zinc/85/60/29/395856029.db2.gz DOUCFNJYPFFMHS-UHFFFAOYSA-N 0 0 315.377 0.800 50 0 DCAARN Cc1nc(CN2CCN(C(=O)CCCn3cncn3)CC2)no1 ZINC000223892642 395857471 /nfs/dbraw/zinc/85/74/71/395857471.db2.gz KXVNMPFBFHMAFI-UHFFFAOYSA-N 0 0 319.369 0.094 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2cccnc2)C1 ZINC000047565085 395796230 /nfs/dbraw/zinc/79/62/30/395796230.db2.gz VATNECSOZJCPPO-LLVKDONJSA-N 0 0 312.395 0.875 50 0 DCAARN O=C([C@@H]1CCC(=O)NC1)N1CCN(Cc2cccs2)CC1 ZINC000047750124 395800500 /nfs/dbraw/zinc/80/05/00/395800500.db2.gz DWDIHOZSYUKQRM-GFCCVEGCSA-N 0 0 307.419 0.919 50 0 DCAARN O=C([C@@H](c1ccccc1)N1CCNC(=O)CC1)N1CCOCC1 ZINC000054258541 395896053 /nfs/dbraw/zinc/89/60/53/395896053.db2.gz BATCVMHHXURODR-MRXNPFEDSA-N 0 0 317.389 0.408 50 0 DCAARN C[C@@H]1C[NH2+]CCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000124680323 395901595 /nfs/dbraw/zinc/90/15/95/395901595.db2.gz ULBNBCQXBIWRDY-LLVKDONJSA-N 0 0 308.382 0.061 50 0 DCAARN Cc1noc([C@@H]2CCCN([C@@H](C)C(=O)N3CCOCC3)C2)n1 ZINC000054677346 395904766 /nfs/dbraw/zinc/90/47/66/395904766.db2.gz VSLXECMFJVIODN-WCQYABFASA-N 0 0 308.382 0.805 50 0 DCAARN CC[C@@]1(c2ccccc2)C(=O)N(C)C(=O)N(CC(=O)NC)C1=O ZINC000055175536 395912723 /nfs/dbraw/zinc/91/27/23/395912723.db2.gz BRUXKWZRIMSPHO-MRXNPFEDSA-N 0 0 317.345 0.501 50 0 DCAARN CNC(=O)CN(C)S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000055214342 395914392 /nfs/dbraw/zinc/91/43/92/395914392.db2.gz FNLZAEBZRVMHRJ-UHFFFAOYSA-N 0 0 300.380 0.679 50 0 DCAARN CCN(Cc1noc(CC(C)C)n1)C(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC000055243176 395914734 /nfs/dbraw/zinc/91/47/34/395914734.db2.gz SFZFQXJPQYBJMW-UHFFFAOYSA-N 0 0 321.337 0.719 50 0 DCAARN CCN(Cc1noc(CC(C)C)n1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000055358153 395918196 /nfs/dbraw/zinc/91/81/96/395918196.db2.gz ZBBZBTYXEKNTJD-VIFPVBQESA-N 0 0 323.353 0.215 50 0 DCAARN C[C@H](CNC(=O)CCNC(=O)c1ccccc1F)n1cncn1 ZINC000055358940 395918438 /nfs/dbraw/zinc/91/84/38/395918438.db2.gz RSSBNERWWYXYCT-LLVKDONJSA-N 0 0 319.340 0.915 50 0 DCAARN O=C(NCc1nnc2ccc(N3CCCC3)nn21)[C@@H]1CCOC1 ZINC000238924144 395923006 /nfs/dbraw/zinc/92/30/06/395923006.db2.gz ULXNYYOEHFEJGC-LLVKDONJSA-N 0 0 316.365 0.377 50 0 DCAARN O=C(CNc1ccccc1N1CCC(O)CC1)N1CCNC1=O ZINC000055887984 395923153 /nfs/dbraw/zinc/92/31/53/395923153.db2.gz CZSMTZJEXADZRA-UHFFFAOYSA-N 0 0 318.377 0.611 50 0 DCAARN O=C(CCc1cc(=O)[n-]o1)N[C@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000244816976 395925239 /nfs/dbraw/zinc/92/52/39/395925239.db2.gz SSBLCXQWPJJGNW-MKBNYLNASA-N 0 0 323.393 0.568 50 0 DCAARN COc1cncc([C@@H](NC(=O)Cc2c[nH]cn2)[C@H]2C[C@@H](O)C2)c1 ZINC000244858557 395925978 /nfs/dbraw/zinc/92/59/78/395925978.db2.gz VNHLVZRTFFSRSO-WNMQOVRZSA-N 0 0 316.361 0.984 50 0 DCAARN NC(=O)[C@H]1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)C1 ZINC000052392490 395862813 /nfs/dbraw/zinc/86/28/13/395862813.db2.gz WJVUPFQJCYPPIP-NSHDSACASA-N 0 0 324.406 0.178 50 0 DCAARN O=C(NCCS(=O)(=O)CCc1ccccc1)[C@H]1CCOC1 ZINC000225721087 395863086 /nfs/dbraw/zinc/86/30/86/395863086.db2.gz KSNHHLPMEPGDIJ-AWEZNQCLSA-N 0 0 311.403 0.797 50 0 DCAARN NC(=O)[C@@H](c1ccccc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000229502890 395874710 /nfs/dbraw/zinc/87/47/10/395874710.db2.gz AHHQUFRTRAUACO-HUUCEWRRSA-N 0 0 300.362 0.811 50 0 DCAARN CN(CC(N)=O)C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000053054797 395875470 /nfs/dbraw/zinc/87/54/70/395875470.db2.gz NZRMHGMWFPOZQY-QMMMGPOBSA-N 0 0 311.288 0.261 50 0 DCAARN CC[C@]1(c2ccccc2)NC(=O)N(CCS(C)(=O)=O)C1=O ZINC000053130006 395877077 /nfs/dbraw/zinc/87/70/77/395877077.db2.gz IIBBAQGNWIQSKO-CQSZACIVSA-N 0 0 310.375 0.888 50 0 DCAARN COc1ccc(OC)c(CCNC(=O)[C@H]2CC(=O)N(C)C2)c1 ZINC000053348232 395880770 /nfs/dbraw/zinc/88/07/70/395880770.db2.gz CHOMYYRFDBKDJJ-LBPRGKRZSA-N 0 0 306.362 0.841 50 0 DCAARN Cn1nccc1C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000121299502 395883579 /nfs/dbraw/zinc/88/35/79/395883579.db2.gz MUHXNBJTOOFXLH-CQSZACIVSA-N 0 0 310.423 0.358 50 0 DCAARN CCOC(=O)C1=C(CSc2cccc[n+]2[O-])NC(=O)N[C@@H]1C ZINC000058342228 395953060 /nfs/dbraw/zinc/95/30/60/395953060.db2.gz RMRBQMQPMMXUBL-SECBINFHSA-N 0 0 323.374 0.931 50 0 DCAARN O=C(Cn1c(=O)sc2ccccc2c1=O)NC[C@@H]1CCCO1 ZINC000274772110 395975296 /nfs/dbraw/zinc/97/52/96/395975296.db2.gz VCNBJAADVHBXGC-JTQLQIEISA-N 0 0 320.370 0.718 50 0 DCAARN O=C(CN1CCO[C@@H]2CCCC[C@@H]21)N[C@H]1CCCCNC1=O ZINC000247801175 395978876 /nfs/dbraw/zinc/97/88/76/395978876.db2.gz VUOSXWINTURMRF-MELADBBJSA-N 0 0 309.410 0.415 50 0 DCAARN O[C@H]1CCCN(c2ccnc(N3CCc4nc[nH]c4C3)n2)C1 ZINC000065417270 395993458 /nfs/dbraw/zinc/99/34/58/395993458.db2.gz GRQFWXAHPBPNIO-NSHDSACASA-N 0 0 300.366 0.724 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1CO ZINC000253408299 396026755 /nfs/dbraw/zinc/02/67/55/396026755.db2.gz KPORNKKNLGGXAP-UONOGXRCSA-N 0 0 306.362 0.016 50 0 DCAARN CC1=C(C(=O)NCCC(=O)Nc2nccs2)[C@@H](C)NC(=O)N1 ZINC000067490648 396026847 /nfs/dbraw/zinc/02/68/47/396026847.db2.gz JPSYKHOIEPQHEX-SSDOTTSWSA-N 0 0 323.378 0.563 50 0 DCAARN CC(C)(C)OC(=O)N1CCC([N@@H+]2C[C@H](O)C[C@H]2C(=O)[O-])CC1 ZINC000253406557 396027171 /nfs/dbraw/zinc/02/71/71/396027171.db2.gz JBLRGTDFTOKIOS-NEPJUHHUSA-N 0 0 314.382 0.906 50 0 DCAARN COc1ccccc1CCC(=O)N1CC[N@H+](C)[C@H](C(=O)[O-])C1 ZINC000067587696 396028653 /nfs/dbraw/zinc/02/86/53/396028653.db2.gz XTIYVQDTNNZORB-ZDUSSCGKSA-N 0 0 306.362 0.855 50 0 DCAARN COc1nn(C)cc1C(=O)N1CCn2nc3c(c2C1)CCC3 ZINC000253473848 396029546 /nfs/dbraw/zinc/02/95/46/396029546.db2.gz ZDYIWUYHIXNXAD-UHFFFAOYSA-N 0 0 301.350 0.770 50 0 DCAARN O=C([C@@H]1CCCO1)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000253630018 396031257 /nfs/dbraw/zinc/03/12/57/396031257.db2.gz ZOGSASBNYGSOLO-ZDUSSCGKSA-N 0 0 316.423 0.582 50 0 DCAARN CCn1cc(S(=O)(=O)N2CC[C@@H](Cc3nncn3C)C2)cn1 ZINC000257186568 396034139 /nfs/dbraw/zinc/03/41/39/396034139.db2.gz KOLNAOAEIUDXHX-NSHDSACASA-N 0 0 324.410 0.285 50 0 DCAARN O=C(N[C@@H]1CN(Cc2ccccn2)C[C@H]1CO)c1cnccn1 ZINC000257185988 396034413 /nfs/dbraw/zinc/03/44/13/396034413.db2.gz JZZNPZKWESQLNX-SWLSCSKDSA-N 0 0 313.361 0.094 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2)C[C@H]1COC ZINC000257187233 396035453 /nfs/dbraw/zinc/03/54/53/396035453.db2.gz AFEVKAZOGOHJBX-NWDGAFQWSA-N 0 0 316.361 0.644 50 0 DCAARN Cc1cc(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)c(C)[nH]1 ZINC000067961812 396040717 /nfs/dbraw/zinc/04/07/17/396040717.db2.gz WARBHKBRVINHDJ-UHFFFAOYSA-N 0 0 318.421 0.710 50 0 DCAARN CCOC(=O)[C@]1(COC)CCCN(C(=O)N[C@H]2CCOC2)C1 ZINC000252485281 396020891 /nfs/dbraw/zinc/02/08/91/396020891.db2.gz GQBSEKWCSSPSEG-SWLSCSKDSA-N 0 0 314.382 0.777 50 0 DCAARN CC[C@@H](C)[C@H](CO)NC(=O)Cn1ncc2ccccc2c1=O ZINC000252507573 396021506 /nfs/dbraw/zinc/02/15/06/396021506.db2.gz WOTLTFYFQKBOCV-RISCZKNCSA-N 0 0 303.362 0.920 50 0 DCAARN Cc1ncncc1C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 ZINC000069771873 396089462 /nfs/dbraw/zinc/08/94/62/396089462.db2.gz QPZFETWLPDYHFM-CQSZACIVSA-N 0 0 306.410 0.950 50 0 DCAARN COc1cccc(CN2CCc3nn(C)c(=O)n3CC2)c1OC ZINC000169783121 396091910 /nfs/dbraw/zinc/09/19/10/396091910.db2.gz SOHODHSWZBMUJL-UHFFFAOYSA-N 0 0 318.377 0.657 50 0 DCAARN CNC(=O)N1CCC([C@H]2CCN(C(=O)c3cncn3C)C2)CC1 ZINC000169781822 396091936 /nfs/dbraw/zinc/09/19/36/396091936.db2.gz FVALKBWDIQYNHY-ZDUSSCGKSA-N 0 0 319.409 0.934 50 0 DCAARN CC[C@H](C)NC(=O)N1CC(n2cc(C(=O)NCC3CC3)nn2)C1 ZINC000169787548 396092692 /nfs/dbraw/zinc/09/26/92/396092692.db2.gz VXMHKWKTMIVKMA-JTQLQIEISA-N 0 0 320.397 0.783 50 0 DCAARN COC(=O)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000069873930 396093171 /nfs/dbraw/zinc/09/31/71/396093171.db2.gz QTNKZPXTGCKHPP-ONGXEEELSA-N 0 0 314.407 0.756 50 0 DCAARN O=C(COCc1ccccc1)N1CCc2n[nH]c(=O)n2CC1 ZINC000169790040 396093407 /nfs/dbraw/zinc/09/34/07/396093407.db2.gz HTEPTRPLWKIHTB-UHFFFAOYSA-N 0 0 302.334 0.173 50 0 DCAARN Cc1noc([C@@H]2CN(C(=O)Cc3ccsc3)C[C@H]2C(N)=O)n1 ZINC000169791118 396093613 /nfs/dbraw/zinc/09/36/13/396093613.db2.gz ROQIDZKRIOGHRT-GHMZBOCLSA-N 0 0 320.374 0.710 50 0 DCAARN COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](C)C(=O)OC ZINC000170603978 396095203 /nfs/dbraw/zinc/09/52/03/396095203.db2.gz PJSWFVRCJGXOAU-ZETCQYMHSA-N 0 0 321.376 0.683 50 0 DCAARN Cc1csc(N2CCN(CCN3C(=O)CNC3=O)C[C@@H]2C)n1 ZINC000069951239 396096586 /nfs/dbraw/zinc/09/65/86/396096586.db2.gz XOYWRJPDQMLPLQ-NSHDSACASA-N 0 0 323.422 0.514 50 0 DCAARN COc1ccc(C(=O)N2CCN(C[C@H](C)O)CC2)c(OC)c1 ZINC000069980955 396097332 /nfs/dbraw/zinc/09/73/32/396097332.db2.gz JMTOZNRYMNIPHJ-LBPRGKRZSA-N 0 0 308.378 0.842 50 0 DCAARN C[C@H](CNS(=O)(=O)c1cnccc1Cl)N1CCOCC1 ZINC000070040449 396098926 /nfs/dbraw/zinc/09/89/26/396098926.db2.gz NZGUIQMPOQFBNK-SNVBAGLBSA-N 0 0 319.814 0.734 50 0 DCAARN COCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000070891907 396105949 /nfs/dbraw/zinc/10/59/49/396105949.db2.gz NRWCKKAOZZSUKE-HNNXBMFYSA-N 0 0 305.334 0.607 50 0 DCAARN COc1cccc(CCC(=O)N2CC[C@H](C(N)=O)C2)c1OC ZINC000071793016 396115104 /nfs/dbraw/zinc/11/51/04/396115104.db2.gz SFRFCRJXKGDZFN-LBPRGKRZSA-N 0 0 306.362 0.970 50 0 DCAARN COCC(=O)N1CCN(Cn2c3cc(C)ccc3oc2=O)CC1 ZINC000071817271 396116439 /nfs/dbraw/zinc/11/64/39/396116439.db2.gz IPKHMAUAXAMZOO-UHFFFAOYSA-N 0 0 319.361 0.651 50 0 DCAARN O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCCn2ncnc21 ZINC000071826917 396117132 /nfs/dbraw/zinc/11/71/32/396117132.db2.gz UAYSZGFKYCAYGP-GFCCVEGCSA-N 0 0 313.365 0.721 50 0 DCAARN Cc1cnn(C[C@@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)c1 ZINC000071869708 396119798 /nfs/dbraw/zinc/11/97/98/396119798.db2.gz MBKQWTQJCMOSCD-LBPRGKRZSA-N 0 0 303.366 0.791 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)CCCNc2ncccn2)CC1 ZINC000071871241 396120721 /nfs/dbraw/zinc/12/07/21/396120721.db2.gz MJHAPLMWHQZDIN-CYBMUJFWSA-N 0 0 307.398 0.194 50 0 DCAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000071915359 396125204 /nfs/dbraw/zinc/12/52/04/396125204.db2.gz SWWQIGPUFZMOQQ-RISCZKNCSA-N 0 0 321.377 0.771 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)c2cn3cccnc3n2)CC1 ZINC000072268900 396128305 /nfs/dbraw/zinc/12/83/05/396128305.db2.gz AEGTWHBBNKWJPP-LBPRGKRZSA-N 0 0 303.366 0.258 50 0 DCAARN Cc1cc(C)c(CNC(=O)CCn2ccccc2=O)c(=O)[nH]1 ZINC000072280302 396129140 /nfs/dbraw/zinc/12/91/40/396129140.db2.gz BJKMHOCNXCHBAQ-UHFFFAOYSA-N 0 0 301.346 0.860 50 0 DCAARN Cc1ccc(F)c(N2CCC[C@H](NC(=O)Cn3cnnn3)C2)c1 ZINC000072287096 396129825 /nfs/dbraw/zinc/12/98/25/396129825.db2.gz YXHAOQPRONAYMF-LBPRGKRZSA-N 0 0 318.356 0.906 50 0 DCAARN CCn1ccnc1CN1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000072300727 396130652 /nfs/dbraw/zinc/13/06/52/396130652.db2.gz LYXQXWBKSXYBJK-IAQYHMDHSA-N 0 0 305.382 0.713 50 0 DCAARN NS(=O)(=O)N1CCCN(Cc2cccc(Cl)n2)CC1 ZINC000072630588 396133211 /nfs/dbraw/zinc/13/32/11/396133211.db2.gz BNZMBHQXQOJBAX-UHFFFAOYSA-N 0 0 304.803 0.446 50 0 DCAARN COc1ccnc(N2CCN(C(=O)c3ncccc3O)CC2)n1 ZINC000069327395 396074635 /nfs/dbraw/zinc/07/46/35/396074635.db2.gz XMDXJJTWRQHVQH-UHFFFAOYSA-N 0 0 315.333 0.548 50 0 DCAARN O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCOC1 ZINC000069324996 396074701 /nfs/dbraw/zinc/07/47/01/396074701.db2.gz AEDAIEQLIZQRJY-LLVKDONJSA-N 0 0 309.366 0.394 50 0 DCAARN N#Cc1ccnc(N2CCC[C@@H](c3nn[nH]n3)C2)c1[N+](=O)[O-] ZINC000161007508 396075076 /nfs/dbraw/zinc/07/50/76/396075076.db2.gz BUUVMPIESKTPRD-SECBINFHSA-N 0 0 300.282 0.759 50 0 DCAARN C[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)c1nnc2n1CCCCC2 ZINC000069350116 396076073 /nfs/dbraw/zinc/07/60/73/396076073.db2.gz RMGHHVUWBSEXLF-GHMZBOCLSA-N 0 0 305.382 0.708 50 0 DCAARN C[C@H](CO)NC(=O)C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000069383145 396076802 /nfs/dbraw/zinc/07/68/02/396076802.db2.gz HSYIRJLKAJQITA-SSDOTTSWSA-N 0 0 314.725 0.547 50 0 DCAARN CC(C)COCCCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000069414828 396077328 /nfs/dbraw/zinc/07/73/28/396077328.db2.gz RQYIMCNVGSAUSZ-CHWSQXEVSA-N 0 0 308.444 0.993 50 0 DCAARN CCN(CC)S(=O)(=O)N1CSC[C@@H]1C(=O)N(C)C(C)C ZINC000069415783 396078047 /nfs/dbraw/zinc/07/80/47/396078047.db2.gz SODMSELBIFFUHO-LLVKDONJSA-N 0 0 323.484 0.815 50 0 DCAARN C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cc[nH]n1 ZINC000069416510 396078108 /nfs/dbraw/zinc/07/81/08/396078108.db2.gz IWXLKAYKFTYBNJ-ZETCQYMHSA-N 0 0 300.365 0.777 50 0 DCAARN COc1ccc(CNC(=O)N2CCS(=O)CC2)cc1OC ZINC000069420254 396078328 /nfs/dbraw/zinc/07/83/28/396078328.db2.gz HFNKCTUPEFXVQQ-UHFFFAOYSA-N 0 0 312.391 0.978 50 0 DCAARN CC(C)OCCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCCC1 ZINC000069481974 396080532 /nfs/dbraw/zinc/08/05/32/396080532.db2.gz GNBVQNGCAGYZLE-QWHCGFSZSA-N 0 0 318.439 0.179 50 0 DCAARN Cc1nnc2n1CCN(Cc1cc(=O)n3cccc(C)c3n1)C2 ZINC000069519458 396081306 /nfs/dbraw/zinc/08/13/06/396081306.db2.gz KOQUNFBKKHQJPJ-UHFFFAOYSA-N 0 0 310.361 0.919 50 0 DCAARN Cc1nc(CN2C(=O)C(=O)N(CCc3cccs3)C2=O)no1 ZINC000069561949 396082746 /nfs/dbraw/zinc/08/27/46/396082746.db2.gz BTCMKIYPGLEQCE-UHFFFAOYSA-N 0 0 320.330 0.973 50 0 DCAARN NC(=O)c1cccc(CN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000069561439 396083052 /nfs/dbraw/zinc/08/30/52/396083052.db2.gz JKDGRSFQDOHYDJ-OAHLLOKOSA-N 0 0 300.362 0.883 50 0 DCAARN CCn1c(C2CCN(S(=O)(=O)N(C)C)CC2)n[nH]c1=S ZINC000069583765 396083887 /nfs/dbraw/zinc/08/38/87/396083887.db2.gz POIGODFKXBVXOT-UHFFFAOYSA-N 0 0 319.456 0.946 50 0 DCAARN COCCN1CCN(Cc2nc(-c3cccnc3)no2)CC1 ZINC000069624485 396084421 /nfs/dbraw/zinc/08/44/21/396084421.db2.gz QWMIPOVYSBBZOS-UHFFFAOYSA-N 0 0 303.366 0.896 50 0 DCAARN COC(=O)c1ccc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)s1 ZINC000069631795 396085301 /nfs/dbraw/zinc/08/53/01/396085301.db2.gz VYDRTEDKUIWYLX-MRVPVSSYSA-N 0 0 322.342 0.554 50 0 DCAARN Cc1ccc(F)c(-n2nnnc2CNC[C@H]2CN(C)CCO2)c1 ZINC000075133289 396176355 /nfs/dbraw/zinc/17/63/55/396176355.db2.gz NNHCLFWVSNDTQW-LBPRGKRZSA-N 0 0 320.372 0.530 50 0 DCAARN Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCc1cc[nH]n1 ZINC000075121631 396176503 /nfs/dbraw/zinc/17/65/03/396176503.db2.gz OOLOCCXMECTSOO-UHFFFAOYSA-N 0 0 324.344 0.722 50 0 DCAARN COC(=O)C1=NNC[C@@]12CC(=O)N(c1ccc(F)cc1)C2=O ZINC000075272791 396178584 /nfs/dbraw/zinc/17/85/84/396178584.db2.gz XEJCGRHDELTAOY-AWEZNQCLSA-N 0 0 305.265 0.208 50 0 DCAARN COC(=O)[C@@H](CO)Nc1cc(-c2ccccc2)nc2ncnn21 ZINC000075606856 396183325 /nfs/dbraw/zinc/18/33/25/396183325.db2.gz MYQUXCHSFSTNAZ-GFCCVEGCSA-N 0 0 313.317 0.737 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)n2-c2ccccc2)C1 ZINC000075874619 396188827 /nfs/dbraw/zinc/18/88/27/396188827.db2.gz XQOHJQNIGGTHDN-LLVKDONJSA-N 0 0 322.390 0.700 50 0 DCAARN Cc1cc(C)n(CCC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)n1 ZINC000076045470 396193162 /nfs/dbraw/zinc/19/31/62/396193162.db2.gz YGYOTZFHBJQCCS-ZDUSSCGKSA-N 0 0 318.381 0.917 50 0 DCAARN CCCc1nnc([C@@H]2CN(C(=O)CCn3cncn3)CCO2)[nH]1 ZINC000076046023 396193169 /nfs/dbraw/zinc/19/31/69/396193169.db2.gz UWARAWFCVQRNSS-NSHDSACASA-N 0 0 319.369 0.339 50 0 DCAARN 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/nfs/dbraw/zinc/42/21/36/396422136.db2.gz FQQZHMJYVDBGOK-SECBINFHSA-N 0 0 303.313 0.482 50 0 DCAARN Cc1noc2ncnc(NC[C@@H]3CCC[C@@]34NC(=O)NC4=O)c12 ZINC000192472945 396431431 /nfs/dbraw/zinc/43/14/31/396431431.db2.gz YEYZAJYHFFMLTA-RMLUDKJBSA-N 0 0 316.321 0.716 50 0 DCAARN CN1C(=O)c2ccc(S(=O)(=O)N[C@@H]3CCC[C@H]3O)cc2C1=O ZINC000269671215 396434573 /nfs/dbraw/zinc/43/45/73/396434573.db2.gz AFWIVOZTQWOBCE-VXGBXAGGSA-N 0 0 324.358 0.104 50 0 DCAARN O=S(=O)(c1ccoc1)N1CCC[C@H]1CN1CCOCC1 ZINC000286142977 396376693 /nfs/dbraw/zinc/37/66/93/396376693.db2.gz WYBPXRPPEHUZRR-LBPRGKRZSA-N 0 0 300.380 0.765 50 0 DCAARN Cc1nc2ccc(S(=O)(=O)N[C@H]3COC[C@@H]3O)cc2s1 ZINC000584884558 396631647 /nfs/dbraw/zinc/63/16/47/396631647.db2.gz TWMMQXSVDYMJCR-QWRGUYRKSA-N 0 0 314.388 0.643 50 0 DCAARN O=C(c1cncc(NCC2(CO)CCOCC2)n1)N1CCCC1 ZINC000584884928 396632234 /nfs/dbraw/zinc/63/22/34/396632234.db2.gz LVJZLHDDZZYVTH-UHFFFAOYSA-N 0 0 320.393 0.914 50 0 DCAARN Cc1n[nH]nc1C(=O)N(C)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000584888188 396633189 /nfs/dbraw/zinc/63/31/89/396633189.db2.gz NCSGHJZIXUWREX-NSHDSACASA-N 0 0 305.382 0.976 50 0 DCAARN O=C(CN1CCC[C@@H](O)C1)NCCc1cn2ccccc2n1 ZINC000584892336 396634284 /nfs/dbraw/zinc/63/42/84/396634284.db2.gz JNZHRKPCVTVIMP-CQSZACIVSA-N 0 0 302.378 0.450 50 0 DCAARN CN(C)C1=NC2(CCN(C(=O)Cc3ccccn3)CC2)C(=O)N1 ZINC000584893170 396634732 /nfs/dbraw/zinc/63/47/32/396634732.db2.gz JWSRFFAHICBVAQ-UHFFFAOYSA-N 0 0 315.377 0.033 50 0 DCAARN CC(C)Cc1noc(CN(C)C(=O)CCc2nncn2C)n1 ZINC000584897555 396635696 /nfs/dbraw/zinc/63/56/96/396635696.db2.gz IWTZIPHIXRZYCJ-UHFFFAOYSA-N 0 0 306.370 0.988 50 0 DCAARN CCc1noc(CNC2CCN(C(=O)c3cnccn3)CC2)n1 ZINC000584899689 396636175 /nfs/dbraw/zinc/63/61/75/396636175.db2.gz ORWWPBCLGNHZFA-UHFFFAOYSA-N 0 0 316.365 0.816 50 0 DCAARN CC(C)c1nc(CCN(C)C(=O)Cn2cccnc2=O)no1 ZINC000584902754 396637202 /nfs/dbraw/zinc/63/72/02/396637202.db2.gz AADHDFJVUVPEBB-UHFFFAOYSA-N 0 0 305.338 0.451 50 0 DCAARN COCCOc1ccc(CNC(=O)N2CCCNC(=O)C2)cc1 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JTEBGFAPLPGDRY-UHFFFAOYSA-N 0 0 312.757 0.909 50 0 DCAARN CCN(CC(=O)NC(C)(C)C)c1nc2c(cnn2C)c(=O)[nH]1 ZINC000068623168 415394707 /nfs/dbraw/zinc/39/47/07/415394707.db2.gz VDHKUMZRBDZMSM-UHFFFAOYSA-N 0 0 306.370 0.398 50 0 DCAARN O=C(NCCS(=O)(=O)NCC1CCC1)Nc1cccnc1 ZINC000069032413 415397239 /nfs/dbraw/zinc/39/72/39/415397239.db2.gz IHJVUAZCANGRQF-UHFFFAOYSA-N 0 0 312.395 0.923 50 0 DCAARN Cc1ccc(CN2CCO[C@@H](CN(C)CC(N)=O)C2)c(C)c1 ZINC000275472093 415374846 /nfs/dbraw/zinc/37/48/46/415374846.db2.gz AOPXMBIGPDTJNA-INIZCTEOSA-N 0 0 305.422 0.921 50 0 DCAARN CSCc1nc(CNC(=O)C(=O)N2CCOCC2)cs1 ZINC000067648955 415379825 /nfs/dbraw/zinc/37/98/25/415379825.db2.gz ZUPKJQGIWAVJAG-UHFFFAOYSA-N 0 0 315.420 0.481 50 0 DCAARN Cc1c(O)cccc1C(=O)N1CCC2(CC1)C(=O)NCCN2C ZINC000067714366 415385704 /nfs/dbraw/zinc/38/57/04/415385704.db2.gz RHQUTPIGJFBWOV-UHFFFAOYSA-N 0 0 317.389 0.737 50 0 DCAARN CC(C)c1cc(C2CCN(C(=O)Cn3cnnn3)CC2)[nH]n1 ZINC000067818200 415386675 /nfs/dbraw/zinc/38/66/75/415386675.db2.gz 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/nfs/dbraw/zinc/43/78/26/415437826.db2.gz HVTMGLNMDQRHOB-LBPRGKRZSA-N 0 0 306.370 0.741 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)c2cnc3n[nH]c(C)c3c2)CC1 ZINC000075133738 415438428 /nfs/dbraw/zinc/43/84/28/415438428.db2.gz GLQRVEOVDSJZPJ-ZDUSSCGKSA-N 0 0 317.393 0.795 50 0 DCAARN COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)C2CC2)cc1 ZINC000075170331 415440770 /nfs/dbraw/zinc/44/07/70/415440770.db2.gz KSPMJVNTQATLPR-CQSZACIVSA-N 0 0 313.375 0.913 50 0 DCAARN COc1ccccc1CNC(=O)C(=O)NC[C@@H](O)c1ccoc1 ZINC000075171955 415442485 /nfs/dbraw/zinc/44/24/85/415442485.db2.gz INHCSHTZAZFDJN-CYBMUJFWSA-N 0 0 318.329 0.754 50 0 DCAARN O=C(c1cnc(-c2ccccn2)s1)N1CCN(CCO)CC1 ZINC000075604572 415453810 /nfs/dbraw/zinc/45/38/10/415453810.db2.gz UBFZMGZCFURMKN-UHFFFAOYSA-N 0 0 318.402 0.955 50 0 DCAARN CC1(C)CN(C(=O)c2ccnc(-n3cnnc3)c2)C[C@@]1(C)O ZINC000091651098 415538426 /nfs/dbraw/zinc/53/84/26/415538426.db2.gz NUAPUHZFOBNLTP-OAHLLOKOSA-N 0 0 301.350 0.895 50 0 DCAARN CN1c2ccccc2[C@H](NC(=O)C(=O)NCc2cccnc2)C1=O ZINC000095346280 415547455 /nfs/dbraw/zinc/54/74/55/415547455.db2.gz ZYYRIKHFRWBDFS-AWEZNQCLSA-N 0 0 324.340 0.532 50 0 DCAARN CC[C@@H](C(=O)NC)n1cc(-c2ccc(-c3nn[nH]n3)cc2)nn1 ZINC000095379900 415557009 /nfs/dbraw/zinc/55/70/09/415557009.db2.gz XPOJSDNGRWPJFC-LBPRGKRZSA-N 0 0 312.337 0.822 50 0 DCAARN O=c1[nH]nc2n1CCN(Cc1nnc(-c3cccs3)o1)C2 ZINC000095941545 415564442 /nfs/dbraw/zinc/56/44/42/415564442.db2.gz NARWCDCYWKAGLH-UHFFFAOYSA-N 0 0 304.335 0.699 50 0 DCAARN COc1ccc(CN2CCC[C@H]2CS(N)(=O)=O)cc1OC ZINC000095982903 415569311 /nfs/dbraw/zinc/56/93/11/415569311.db2.gz QMYPUDUANDNCEI-LBPRGKRZSA-N 0 0 314.407 0.957 50 0 DCAARN CN(C)C(=O)OCCN1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000096012982 415572454 /nfs/dbraw/zinc/57/24/54/415572454.db2.gz KGXZFTBRASKPQI-UHFFFAOYSA-N 0 0 321.377 0.848 50 0 DCAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)NC[C@H](C)O)C2=O ZINC000097178127 415588229 /nfs/dbraw/zinc/58/82/29/415588229.db2.gz RSSFJLQJRMHRHX-NSHDSACASA-N 0 0 304.346 0.868 50 0 DCAARN O=C(N[C@H]1C=CS(=O)(=O)C1)c1cnc(N2CCCC2)nc1 ZINC000097499541 415590418 /nfs/dbraw/zinc/59/04/18/415590418.db2.gz FXTFVMMCHOLQOI-NSHDSACASA-N 0 0 308.363 0.117 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@@H]1N1CCOCC1 ZINC000107057572 415660718 /nfs/dbraw/zinc/66/07/18/415660718.db2.gz CPDDEVQMVJGBTP-BVUBDWEXSA-N 0 0 318.421 0.703 50 0 DCAARN COc1nc(-c2cccc(C(=O)N3CC[C@@H](O)C3)c2)nn1C ZINC000299755672 416064551 /nfs/dbraw/zinc/06/45/51/416064551.db2.gz CQOGRKFTYONZJQ-GFCCVEGCSA-N 0 0 302.334 0.698 50 0 DCAARN Cn1ccnc1CN(CCO)c1cc([C@H]2CCOC2)nc(N)n1 ZINC000299774688 416065271 /nfs/dbraw/zinc/06/52/71/416065271.db2.gz HXMOIOMNFCMBQH-NSHDSACASA-N 0 0 318.381 0.295 50 0 DCAARN C[C@@H](C(=O)N(C)CCc1nc2cc(F)ccc2[nH]1)n1cnnn1 ZINC000299767253 416065421 /nfs/dbraw/zinc/06/54/21/416065421.db2.gz QEEUBFQNNSJTBG-VIFPVBQESA-N 0 0 317.328 0.951 50 0 DCAARN Cc1ccc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)n1C(F)F ZINC000299764500 416065662 /nfs/dbraw/zinc/06/56/62/416065662.db2.gz IAFCSFMAAPBXHJ-VIFPVBQESA-N 0 0 321.349 0.942 50 0 DCAARN O=C([O-])c1nc[nH]c1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000299763257 416066488 /nfs/dbraw/zinc/06/64/88/416066488.db2.gz ZIQULOAADZXROL-LLVKDONJSA-N 0 0 322.365 0.481 50 0 DCAARN O=C([C@@H](O)c1cccc(Cl)c1)N1CCN(c2nc[nH]n2)CC1 ZINC000299784568 416067891 /nfs/dbraw/zinc/06/78/91/416067891.db2.gz IEVGHJNVYOTGIV-LBPRGKRZSA-N 0 0 321.768 0.840 50 0 DCAARN CO[C@]12CCN(C(=O)c3cnc(N)nc3C)[C@H]1C[C@@H](O)CC2 ZINC000299784381 416068113 /nfs/dbraw/zinc/06/81/13/416068113.db2.gz TVPPCBGQBTTXQO-ITDIGPHOSA-N 0 0 306.366 0.512 50 0 DCAARN Cc1noc(C)c1C(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299787189 416068992 /nfs/dbraw/zinc/06/89/92/416068992.db2.gz PSJADFHOLQVPEJ-NWDGAFQWSA-N 0 0 303.322 0.869 50 0 DCAARN O=C(Cn1nccn1)N[C@@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000299795023 416069138 /nfs/dbraw/zinc/06/91/38/416069138.db2.gz LETZHKLSOHPTFZ-CQSZACIVSA-N 0 0 315.377 0.765 50 0 DCAARN COCCOC1CCN(C(=O)c2cc(=O)cc(C)n2C)CC1 ZINC000299786354 416069225 /nfs/dbraw/zinc/06/92/25/416069225.db2.gz STJOBVDXTTXRJL-UHFFFAOYSA-N 0 0 308.378 0.961 50 0 DCAARN Cn1nc(C(C)(C)C)cc1NC(=O)NCCc1n[nH]c(=O)n1C ZINC000299787406 416070182 /nfs/dbraw/zinc/07/01/82/416070182.db2.gz WUPRZMQACTWYDQ-UHFFFAOYSA-N 0 0 321.385 0.504 50 0 DCAARN Nc1ccnc(CNC(=O)C2CCN(CC(F)(F)F)CC2)n1 ZINC000330474782 416208962 /nfs/dbraw/zinc/20/89/62/416208962.db2.gz HYKVXBBPFIVWFP-UHFFFAOYSA-N 0 0 317.315 0.949 50 0 DCAARN CCOCCN1CCN(CC(=O)NC2CCOCC2)C[C@H]1C ZINC000247383334 416332750 /nfs/dbraw/zinc/33/27/50/416332750.db2.gz WDPKYBWOSFGLMH-CQSZACIVSA-N 0 0 313.442 0.324 50 0 DCAARN CCOC(=O)C1=C(CN2C[C@H](C)OC[C@H]2C)NC(=O)N[C@@H]1C ZINC000252457410 416334524 /nfs/dbraw/zinc/33/45/24/416334524.db2.gz GMQLJFHVJCXQHU-OUAUKWLOSA-N 0 0 311.382 0.614 50 0 DCAARN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 ZINC000252498247 416334586 /nfs/dbraw/zinc/33/45/86/416334586.db2.gz VGNGSQXYQJGLSF-YVECIDJPSA-N 0 0 300.424 0.410 50 0 DCAARN COc1ccc(OC)c([C@H](C)N[C@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000252444252 416334623 /nfs/dbraw/zinc/33/46/23/416334623.db2.gz AYTDWXOWMXYDFL-TVYUQYBPSA-N 0 0 315.391 0.512 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)c2cc3c(cn2)OCCC3)[C@H](C)C1 ZINC000253429263 416334752 /nfs/dbraw/zinc/33/47/52/416334752.db2.gz QCOQIORBQNPUQH-OLZOCXBDSA-N 0 0 319.405 0.934 50 0 DCAARN CC(C)(C)[C@@H](CO)NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000195579966 416326729 /nfs/dbraw/zinc/32/67/29/416326729.db2.gz FUDFFFSJRGEZFJ-SECBINFHSA-N 0 0 311.354 0.834 50 0 DCAARN COc1ccccc1CCC(=O)NCc1c[nH]c(=O)[nH]c1=O ZINC000215635079 416327268 /nfs/dbraw/zinc/32/72/68/416327268.db2.gz WUHDMEPODOJIDP-UHFFFAOYSA-N 0 0 303.318 0.321 50 0 DCAARN Cn1nccc1CCC(=O)N1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000216292183 416327411 /nfs/dbraw/zinc/32/74/11/416327411.db2.gz LOJGTRLAJIKYRW-LBPRGKRZSA-N 0 0 315.377 0.842 50 0 DCAARN CSC[C@H](C)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000241287490 416330184 /nfs/dbraw/zinc/33/01/84/416330184.db2.gz LLWQHYUCNDSJHH-HBNTYKKESA-N 0 0 308.469 0.820 50 0 DCAARN CN(C)c1noc(CN2CCC[C@H]2C[C@H](O)c2cnn(C)c2)n1 ZINC000241693896 416330374 /nfs/dbraw/zinc/33/03/74/416330374.db2.gz QIPZPWIZSBIKNV-STQMWFEESA-N 0 0 320.397 0.957 50 0 DCAARN CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2nnc[nH]2)C1 ZINC000242263411 416330451 /nfs/dbraw/zinc/33/04/51/416330451.db2.gz XYYAPJPLRSYHHF-GMTAPVOTSA-N 0 0 307.354 0.645 50 0 DCAARN O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ccc2nnnn2c1 ZINC000244574743 416330510 /nfs/dbraw/zinc/33/05/10/416330510.db2.gz CQONEPCBADSBFK-TYNCELHUSA-N 0 0 324.344 0.761 50 0 DCAARN CNC(=O)c1cc(S(=O)(=O)N(CC(C)=O)C(C)C)cn1C ZINC000583651737 416481422 /nfs/dbraw/zinc/48/14/22/416481422.db2.gz RXVAXCIHLAYYSX-UHFFFAOYSA-N 0 0 315.395 0.373 50 0 DCAARN Nc1ncc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)[O-])C3)CC2)cn1 ZINC000534643603 416505989 /nfs/dbraw/zinc/50/59/89/416505989.db2.gz PFGYEBCLYYJWNU-CYBMUJFWSA-N 0 0 319.409 0.820 50 0 DCAARN Nc1n[nH]c(CNC(=O)N2CCO[C@H](c3ccccc3)C2)n1 ZINC000534639371 416506181 /nfs/dbraw/zinc/50/61/81/416506181.db2.gz PJEJQIVRGKZEEE-NSHDSACASA-N 0 0 302.338 0.670 50 0 DCAARN C[C@@H]1CN(C)C[C@@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)O1 ZINC000585122225 416517538 /nfs/dbraw/zinc/51/75/38/416517538.db2.gz RRLZRBYIGBNATI-YUELXQCFSA-N 0 0 323.437 0.470 50 0 DCAARN Cn1cc(CN2CC[C@@H](C(N)=O)C2)c(C(=O)OC(C)(C)C)n1 ZINC000585117833 416517791 /nfs/dbraw/zinc/51/77/91/416517791.db2.gz YZXSRJNEVKVPMD-SNVBAGLBSA-N 0 0 308.382 0.683 50 0 DCAARN Nc1nc([C@@H]2CCN(c3ccc4nccnc4n3)C2)cc(=O)[nH]1 ZINC000585117938 416518068 /nfs/dbraw/zinc/51/80/68/416518068.db2.gz DVNRDZIXMDRBNB-SECBINFHSA-N 0 0 309.333 1.097 50 0 DCAARN CCS(=O)(=O)N1CCC(CNC(=O)[C@H]2CCCO2)CC1 ZINC000543592764 416642637 /nfs/dbraw/zinc/64/26/37/416642637.db2.gz BXTVDMZYDHOUSX-GFCCVEGCSA-N 0 0 304.412 0.343 50 0 DCAARN Cn1nc(-c2ccccc2)cc1C(=O)NCCc1nc(N)n[nH]1 ZINC000426387785 416763408 /nfs/dbraw/zinc/76/34/08/416763408.db2.gz BSRDXZOLKDUUHU-UHFFFAOYSA-N 0 0 311.349 0.760 50 0 DCAARN COCC[C@H](CO)NC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000390835635 417100601 /nfs/dbraw/zinc/10/06/01/417100601.db2.gz SXXSNGGLRHHWPL-LLVKDONJSA-N 0 0 311.386 1.302 50 0 DCAARN O=C(N[C@@H]1CCN(c2nccn3cnnc23)C1)c1ccncc1 ZINC000575414608 417535837 /nfs/dbraw/zinc/53/58/37/417535837.db2.gz NFBNOQKVWOGXLB-GFCCVEGCSA-N 0 0 309.333 0.528 50 0 DCAARN Cc1nnc2n1CC[C@@H](NS(=O)(=O)c1cccnc1)CC2 ZINC000575544353 417538498 /nfs/dbraw/zinc/53/84/98/417538498.db2.gz JEBKZIQOPKQLKO-NSHDSACASA-N 0 0 307.379 0.665 50 0 DCAARN COCc1cn(C2CN(C(=O)COc3ccccc3)C2)nn1 ZINC000575553193 417538620 /nfs/dbraw/zinc/53/86/20/417538620.db2.gz UZKKCLQBKLUVSU-UHFFFAOYSA-N 0 0 302.334 0.887 50 0 DCAARN C[C@@H](Oc1ccccc1F)C(=O)NCCN1C(=O)COC1=O ZINC000575617113 417541166 /nfs/dbraw/zinc/54/11/66/417541166.db2.gz RYGGFPDXVKWDLM-SECBINFHSA-N 0 0 310.281 0.688 50 0 DCAARN Cn1cnc(S(=O)(=O)NCCn2cc(-c3ccoc3)cn2)c1 ZINC000575614827 417541310 /nfs/dbraw/zinc/54/13/10/417541310.db2.gz JQQBKJNLOPOXCG-UHFFFAOYSA-N 0 0 321.362 0.855 50 0 DCAARN O=C(NCCN1C(=O)COC1=O)[C@H]1CCc2ccccc2O1 ZINC000575617337 417541854 /nfs/dbraw/zinc/54/18/54/417541854.db2.gz VTJGASMSPPESSA-GFCCVEGCSA-N 0 0 304.302 0.475 50 0 DCAARN Cc1nc(N)ncc1C(=O)N[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000299756063 229402153 /nfs/dbraw/zinc/40/21/53/229402153.db2.gz CHFAOEUOAOYMOT-LLVKDONJSA-N 0 0 305.382 0.744 50 0 DCAARN CC(C)[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)c1ccoc1 ZINC000091713950 276032580 /nfs/dbraw/zinc/03/25/80/276032580.db2.gz GYWJJSCVSANQRK-NEPJUHHUSA-N 0 0 300.380 0.925 50 0 DCAARN CC(=O)N1CCCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000040501590 278003276 /nfs/dbraw/zinc/00/32/76/278003276.db2.gz QTFLITNVYPUVHW-GFCCVEGCSA-N 0 0 303.428 0.517 50 0 DCAARN C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3)CN2C1=O ZINC000014749172 278047538 /nfs/dbraw/zinc/04/75/38/278047538.db2.gz MPEHIJVTCBBZJS-DLOVCJGASA-N 0 0 302.334 0.296 50 0 DCAARN CC[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1N1CCOCC1 ZINC000084735845 280349000 /nfs/dbraw/zinc/34/90/00/280349000.db2.gz CATPGLWVRHPARB-ZIAGYGMSSA-N 0 0 307.398 0.237 50 0 DCAARN CC1(C)OCC[C@@H]1NC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000331429029 281405393 /nfs/dbraw/zinc/40/53/93/281405393.db2.gz IUBDSHJIZWTTHA-NSHDSACASA-N 0 0 319.427 0.231 50 0 DCAARN CN(C(=O)[C@@H]1COc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000040473659 281834987 /nfs/dbraw/zinc/83/49/87/281834987.db2.gz DQTHIPGNIRBIMU-QWHCGFSZSA-N 0 0 309.387 0.883 50 0 DCAARN COCC(=O)NC[C@@H](NC(=O)COC)[C@@H](C)c1ccccc1 ZINC000564472915 288746847 /nfs/dbraw/zinc/74/68/47/288746847.db2.gz QLMCMWGYMFOIPC-GXTWGEPZSA-N 0 0 308.378 0.684 50 0 DCAARN C[C@H](C1CC1)N(C(=O)CN1CCCN(C(N)=O)CC1)C1CC1 ZINC000089894167 289396163 /nfs/dbraw/zinc/39/61/63/289396163.db2.gz SEUHZQROIVJWIR-GFCCVEGCSA-N 0 0 308.426 0.862 50 0 DCAARN CO[C@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1NC(C)=O ZINC000014418989 294682145 /nfs/dbraw/zinc/68/21/45/294682145.db2.gz XCDVOAZVARITEI-SBOZNWLOSA-N 0 0 323.345 0.338 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)NCc1ccccc1-n1cccn1 ZINC000067359649 295550634 /nfs/dbraw/zinc/55/06/34/295550634.db2.gz NEIBSSQNUHXJTP-LLVKDONJSA-N 0 0 313.317 0.087 50 0 DCAARN Cc1cc(C)cc(NC(=O)C[C@H]([NH2+]CCOCCO)C(=O)[O-])c1 ZINC000004939652 301226268 /nfs/dbraw/zinc/22/62/68/301226268.db2.gz LGRPBDNARQNGFK-AWEZNQCLSA-N 0 0 324.377 0.684 50 0 DCAARN Cc1cnccc1CN(C)C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000071748712 302386177 /nfs/dbraw/zinc/38/61/77/302386177.db2.gz KHFWDGMJTLBCFP-CYBMUJFWSA-N 0 0 311.407 0.772 50 0 DCAARN NS(=O)(=O)CCCNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000048925372 303435055 /nfs/dbraw/zinc/43/50/55/303435055.db2.gz IHKRXNKSAKMWLZ-UHFFFAOYSA-N 0 0 300.355 0.652 50 0 DCAARN O=S(=O)(c1cccnc1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000134675699 304779806 /nfs/dbraw/zinc/77/98/06/304779806.db2.gz SSOHABSUVWXQKN-NWDGAFQWSA-N 0 0 300.405 0.977 50 0 DCAARN CCN1C(=O)/C(=C\c2cn(C)nc2C)N=C1SCC(N)=O ZINC000006401111 331496159 /nfs/dbraw/zinc/49/61/59/331496159.db2.gz WNPJIHJEOHOHKR-BJMVGYQFSA-N 0 0 307.379 0.506 50 0 DCAARN O=C(CCn1c(=O)oc2ccccc21)NCCN1CCOCC1 ZINC000021601420 331592321 /nfs/dbraw/zinc/59/23/21/331592321.db2.gz HEJYDCLMVPYVQC-UHFFFAOYSA-N 0 0 319.361 0.433 50 0 DCAARN O=C(c1ncc[nH]1)N1CCc2c(ncnc2N2CCOCC2)C1 ZINC000071404010 331922262 /nfs/dbraw/zinc/92/22/62/331922262.db2.gz RXLSLBVVEHUHPW-UHFFFAOYSA-N 0 0 314.349 0.235 50 0 DCAARN CCn1cc(S(=O)(=O)NCc2nc(COC)no2)c(C)n1 ZINC000534574503 334287548 /nfs/dbraw/zinc/28/75/48/334287548.db2.gz OYPQEVIKLBFRIF-UHFFFAOYSA-N 0 0 315.355 0.219 50 0 DCAARN CN1CCN([C@H]2COC[C@@H]2NC(=O)CCc2ccncc2)CC1 ZINC000534587005 334292474 /nfs/dbraw/zinc/29/24/74/334292474.db2.gz XWKHHCMFLGLFKQ-HOTGVXAUSA-N 0 0 318.421 0.145 50 0 DCAARN Cc1nc(CNC(=O)N2CCOc3ccc(CO)cc3C2)no1 ZINC000534646652 334306783 /nfs/dbraw/zinc/30/67/83/334306783.db2.gz VAXQTVGLOYDMGG-UHFFFAOYSA-N 0 0 318.333 0.975 50 0 DCAARN O=C([O-])[C@H]1CCC[N@@H+](C2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC000534654470 334313469 /nfs/dbraw/zinc/31/34/69/334313469.db2.gz SETVVBDETQCCFD-JTQLQIEISA-N 0 0 307.354 0.206 50 0 DCAARN COCCc1noc(CNS(=O)(=O)CC2CCCC2)n1 ZINC000534664739 334318427 /nfs/dbraw/zinc/31/84/27/334318427.db2.gz QOLHEVSEWJBGSK-UHFFFAOYSA-N 0 0 303.384 0.868 50 0 DCAARN Cc1ccc2[nH]c(CCNC(=O)N(C)C[C@@H](O)CO)nc2c1 ZINC000534665567 334318815 /nfs/dbraw/zinc/31/88/15/334318815.db2.gz VRMLKIDCNILSMN-LLVKDONJSA-N 0 0 306.366 0.408 50 0 DCAARN O=C(N[C@H]1CCCCNC1=O)c1nc2ccccc2c(=O)[nH]1 ZINC000020785179 337332903 /nfs/dbraw/zinc/33/29/03/337332903.db2.gz KEFWWBCCQWGYIW-NSHDSACASA-N 0 0 300.318 0.322 50 0 DCAARN O=C(CN1CCCNS1(=O)=O)Nc1cccc(Cl)c1 ZINC000408524947 534530543 /nfs/dbraw/zinc/53/05/43/534530543.db2.gz CDWCSQMHZYDNLP-UHFFFAOYSA-N 0 0 303.771 0.819 50 0 DCAARN Cc1nnnn1CCC(=O)N[C@H](CCO)c1ccc(C)cc1 ZINC000299783025 534874485 /nfs/dbraw/zinc/87/44/85/534874485.db2.gz IGSVRGWYYCVVLS-CQSZACIVSA-N 0 0 303.366 0.920 50 0 DCAARN O=C(NCCn1cccc1)N1CCN(c2cnccn2)CC1 ZINC000267811715 526468659 /nfs/dbraw/zinc/46/86/59/526468659.db2.gz UFUWCHAGFXRJSI-UHFFFAOYSA-N 0 0 300.366 0.810 50 0 DCAARN CCO[C@@H]1C[C@H](N(C)C(=O)CN2CCOCC2=O)C12CCC2 ZINC000328588056 527895966 /nfs/dbraw/zinc/89/59/66/527895966.db2.gz NZHIAZWQXASYOX-QWHCGFSZSA-N 0 0 310.394 0.651 50 0 DCAARN CCOC(=O)[C@H](C)NC(=O)NCc1nc(-c2cc(C)on2)no1 ZINC000238862487 527959027 /nfs/dbraw/zinc/95/90/27/527959027.db2.gz KZIWTIGVNHDMAA-QMMMGPOBSA-N 0 0 323.309 0.784 50 0 DCAARN C[NH+]1CCC(NC(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 ZINC000078473443 545680183 /nfs/dbraw/zinc/68/01/83/545680183.db2.gz WWPSQZVFASYMAV-NSHDSACASA-N 0 0 306.453 0.117 50 0 DCAARN NC(=O)c1cccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000084364146 545700999 /nfs/dbraw/zinc/70/09/99/545700999.db2.gz AWSMWFULVFWJMK-HUUCEWRRSA-N 0 0 317.389 0.457 50 0 DCAARN CC(C)(C)CCCNC(=O)C(=O)Nc1ccn(CCC(N)=O)n1 ZINC000084169789 545701187 /nfs/dbraw/zinc/70/11/87/545701187.db2.gz RRJMPTVHONFAQP-UHFFFAOYSA-N 0 0 323.397 0.640 50 0 DCAARN O=C(C[C@@H]1OCCc2sccc21)N1CCN(CCO)CC1 ZINC000084618262 545701898 /nfs/dbraw/zinc/70/18/98/545701898.db2.gz ZNMYTWQWMFTFJO-ZDUSSCGKSA-N 0 0 310.419 0.889 50 0 DCAARN O=C(c1cn2cccnc2n1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000084614952 545702749 /nfs/dbraw/zinc/70/27/49/545702749.db2.gz XJCVYLMUNAIRIB-UONOGXRCSA-N 0 0 315.377 0.401 50 0 DCAARN Cc1nn2cc(CNC(=O)c3[nH]nc(N)c3Cl)nc2s1 ZINC000215907038 545938860 /nfs/dbraw/zinc/93/88/60/545938860.db2.gz IDVALALSMQAIII-UHFFFAOYSA-N 0 0 311.758 0.988 50 0 DCAARN O=C(CCN1CCCO1)N[C@@H]1COCC[C@H]1Oc1ccccn1 ZINC000222679642 545941665 /nfs/dbraw/zinc/94/16/65/545941665.db2.gz FKENILIHKAGJNB-ZIAGYGMSSA-N 0 0 321.377 0.762 50 0 DCAARN CC[C@H](NC(=O)CCn1ccc(=O)[nH]c1=O)c1cccc(C)n1 ZINC000222696338 545941773 /nfs/dbraw/zinc/94/17/73/545941773.db2.gz UHYUPUUKRFGEND-LBPRGKRZSA-N 0 0 316.361 0.898 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@H]2C(=O)NCC2(C)C)cc1F ZINC000585094131 546303533 /nfs/dbraw/zinc/30/35/33/546303533.db2.gz GEXPURWLSWFHFA-NSHDSACASA-N 0 0 316.354 0.637 50 0 DCAARN NC(=O)C1(NC(=O)Cn2nc3ccccc3n2)CCCCC1 ZINC000670440169 547091477 /nfs/dbraw/zinc/09/14/77/547091477.db2.gz WHMHRGGTBVHGMH-UHFFFAOYSA-N 0 0 301.350 0.736 50 0 DCAARN CCn1nc(C)c([C@@H](C)NS(=O)(=O)N2CCOCC2)c1C ZINC000670445422 547093624 /nfs/dbraw/zinc/09/36/24/547093624.db2.gz OSZRHQOWAKWVOE-LLVKDONJSA-N 0 0 316.427 0.747 50 0 DCAARN CO[C@H]1COCC[C@@H]1NC(=O)c1cn(-c2ccccc2)nn1 ZINC000670452702 547096763 /nfs/dbraw/zinc/09/67/63/547096763.db2.gz HOJQCSCLXJHLNV-JSGCOSHPSA-N 0 0 302.334 0.801 50 0 DCAARN CC1(C)SC[C@H](C(=O)N2CCC(C)(CO)CC2)NC1=O ZINC000670468351 547100101 /nfs/dbraw/zinc/10/01/01/547100101.db2.gz OSUDTJKNKMMTRD-SNVBAGLBSA-N 0 0 300.424 0.618 50 0 DCAARN CC1(C)SC[C@@H](C(=O)NCc2cncn2C2CC2)NC1=O ZINC000670468538 547100208 /nfs/dbraw/zinc/10/02/08/547100208.db2.gz JUSPXDYHUAMUBB-NSHDSACASA-N 0 0 308.407 0.844 50 0 DCAARN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3ccccc3F)C2)C1 ZINC000685942093 548747646 /nfs/dbraw/zinc/74/76/46/548747646.db2.gz LDXVTGXLFIZZEA-SNVBAGLBSA-N 0 0 319.336 0.245 50 0 DCAARN O=C(Cc1ccncc1Cl)N[C@H]1COC[C@H]1Oc1cn[nH]c1 ZINC000685942969 548748233 /nfs/dbraw/zinc/74/82/33/548748233.db2.gz YZYBDYRFTARCFM-QWHCGFSZSA-N 0 0 322.752 0.963 50 0 DCAARN O=C(NCc1nc(-c2cnccn2)n[nH]1)[C@H]1CCC[C@@H](O)C1 ZINC000222275408 563724557 /nfs/dbraw/zinc/72/45/57/563724557.db2.gz ZQWUNTWTQPFDSI-VHSXEESVSA-N 0 0 302.338 0.429 50 0 DCAARN CN(CC(=O)Nc1cnsn1)S(=O)(=O)c1ccccc1 ZINC000328594851 563959710 /nfs/dbraw/zinc/95/97/10/563959710.db2.gz DGMMCEUMRHNEKO-UHFFFAOYSA-N 0 0 312.376 0.797 50 0 DCAARN O=C(Cc1cccc(O)c1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000888096932 661175785 /nfs/dbraw/zinc/17/57/85/661175785.db2.gz WHCSRBKQMWJOMX-CQSZACIVSA-N 0 0 317.389 0.358 50 0 DCAARN CC[C@H](O)CN1CCN(c2ncnc(Cl)c2NC=O)CC1 ZINC000888097129 661176585 /nfs/dbraw/zinc/17/65/85/661176585.db2.gz BQZSJJZVFUPCLO-JTQLQIEISA-N 0 0 313.789 0.591 50 0 DCAARN Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)C2CC(=O)C2)cn1 ZINC000585087516 661464998 /nfs/dbraw/zinc/46/49/98/661464998.db2.gz BXTJUGXLTUUQEU-LBPRGKRZSA-N 0 0 304.350 0.120 50 0 DCAARN CN1CCC[C@]2(CCN(C(=O)Cc3nnc(N)s3)C2)C1=O ZINC000067649160 662826144 /nfs/dbraw/zinc/82/61/44/662826144.db2.gz VKNITUCBAJFHCV-CYBMUJFWSA-N 0 0 309.395 0.134 50 0 DCAARN O=C(C(=O)N1CCCc2ccccc21)N1CCN(CCO)CC1 ZINC000170336804 664577302 /nfs/dbraw/zinc/57/73/02/664577302.db2.gz NYMHNRNCJRFVQQ-UHFFFAOYSA-N 0 0 317.389 0.102 50 0 DCAARN COCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C ZINC000012300130 666430546 /nfs/dbraw/zinc/43/05/46/666430546.db2.gz YFSDCFZXUAZYDI-OAHLLOKOSA-N 0 0 319.405 0.448 50 0 DCAARN Cn1cc(C(N)=O)cc1C(=O)NC[C@H](O)c1c(F)cccc1F ZINC000133820306 667483766 /nfs/dbraw/zinc/48/37/66/667483766.db2.gz IQMCSBZDOAGEEH-LBPRGKRZSA-N 0 0 323.299 0.866 50 0 DCAARN CCc1nncn1CCNC(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000805161960 668160764 /nfs/dbraw/zinc/16/07/64/668160764.db2.gz GZWZWEXIBJZCTQ-HNNXBMFYSA-N 0 0 323.397 0.432 50 0 DCAARN COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CC[C@@]3(CCOC3)C2)C1 ZINC000952992473 685602504 /nfs/dbraw/zinc/60/25/04/685602504.db2.gz FSJLUDDMIVUHKW-NTZNESFSSA-N 0 0 303.380 0.380 50 0 DCAARN Cc1nnnn1-c1cccc(NC(=O)[C@@H](C)Cn2cncn2)c1 ZINC000952968755 685599110 /nfs/dbraw/zinc/59/91/10/685599110.db2.gz PMIZSEYIEGKGBV-JTQLQIEISA-N 0 0 312.337 0.837 50 0 DCAARN CS(=O)(=O)N1CCC[C@H](CNC(=O)C2CCOCC2)C1 ZINC000952967919 685599162 /nfs/dbraw/zinc/59/91/62/685599162.db2.gz DNKGDCICFCBIFT-LLVKDONJSA-N 0 0 304.412 0.201 50 0 DCAARN CCNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000952970527 685599756 /nfs/dbraw/zinc/59/97/56/685599756.db2.gz PGVCKLOXAVFADV-NSHDSACASA-N 0 0 312.391 0.842 50 0 DCAARN CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]cnc3c2)C1 ZINC000952976930 685600891 /nfs/dbraw/zinc/60/08/91/685600891.db2.gz VNUNQZGUVHWEFJ-SNVBAGLBSA-N 0 0 322.390 0.710 50 0 DCAARN C[C@H]1C(=O)N2CCN(C(=O)c3cccs3)C[C@@H]2C(=O)N1C ZINC000014744417 685048647 /nfs/dbraw/zinc/04/86/47/685048647.db2.gz IOQXGAWVHFGOKQ-VHSXEESVSA-N 0 0 307.375 0.262 50 0 DCAARN CCCCN1c2ccccc2[C@@](O)(c2sc(N)nc2O)C1=O ZINC000017878405 685052212 /nfs/dbraw/zinc/05/22/12/685052212.db2.gz WRKNGODCNDMGIS-IAQYHMDHSA-N 0 0 319.386 0.978 50 0 DCAARN O=C(c1ccc[nH]c1=O)N1CC(c2nc(-c3ncccn3)no2)C1 ZINC000049482803 685059400 /nfs/dbraw/zinc/05/94/00/685059400.db2.gz ABZHLVPGAFFRPL-UHFFFAOYSA-N 0 0 324.300 0.455 50 0 DCAARN CN1CCN2C[C@@H](NS(=O)(=O)c3cccc(C#N)c3)C[C@H]2C1 ZINC000067817674 685069000 /nfs/dbraw/zinc/06/90/00/685069000.db2.gz IVQPUBLRGABPLG-KBPBESRZSA-N 0 0 320.418 0.225 50 0 DCAARN CCC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1NS(C)(=O)=O ZINC000082109260 685083450 /nfs/dbraw/zinc/08/34/50/685083450.db2.gz CLDPQMIQUAZEOZ-VXGBXAGGSA-N 0 0 314.411 0.059 50 0 DCAARN N#Cc1cccnc1N1CC[C@]2(C1)CCCN(CCO)C2=O ZINC000092045721 685106738 /nfs/dbraw/zinc/10/67/38/685106738.db2.gz UVSYYHYXBFRUHI-INIZCTEOSA-N 0 0 300.362 0.764 50 0 DCAARN CN(C)C(=O)N1CCC[C@H](c2nc(CN3CCOCC3)no2)C1 ZINC000096135883 685111449 /nfs/dbraw/zinc/11/14/49/685111449.db2.gz FYDQAKDYYAQBMO-LBPRGKRZSA-N 0 0 323.397 0.763 50 0 DCAARN CCNC(=O)CN(CC)c1cc(N2CCC[C@@H](CO)C2)ncn1 ZINC000245686409 685158812 /nfs/dbraw/zinc/15/88/12/685158812.db2.gz MXWNJCTVXHLDGH-CYBMUJFWSA-N 0 0 321.425 0.648 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)N1CCC([C@@H](O)CO)CC1 ZINC001772701224 1157840908 /nfs/dbraw/zinc/84/09/08/1157840908.db2.gz JEDONHPNQWTWED-ZDUSSCGKSA-N 0 0 320.345 0.186 50 0 DCAARN O=C(c1cnnn1-c1ccccc1)N1CCC([C@H](O)CO)CC1 ZINC001772710022 1157848028 /nfs/dbraw/zinc/84/80/28/1157848028.db2.gz NOZGBYVYEPHULU-OAHLLOKOSA-N 0 0 316.361 0.473 50 0 DCAARN Cc1cc(C)n(CC(=O)N2C[C@@H](Cc3ccncc3)[C@H](O)C2)n1 ZINC001704280443 1179958736 /nfs/dbraw/zinc/95/87/36/1179958736.db2.gz JQRXQRJXFGACHT-HZPDHXFCSA-N 0 0 314.389 0.957 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3ccc(CO)o3)C[C@@H]2O)[nH]n1 ZINC001704298501 1179964709 /nfs/dbraw/zinc/96/47/09/1179964709.db2.gz GPWFLSMBJYWYFP-MFKMUULPSA-N 0 0 305.334 0.479 50 0 DCAARN COC(=O)N1CCCC[C@@H]1C(=O)N(CCO)Cc1c[nH]c(C)n1 ZINC001704302756 1179966601 /nfs/dbraw/zinc/96/66/01/1179966601.db2.gz AYYVBLHDBWNLJJ-CYBMUJFWSA-N 0 0 324.381 0.660 50 0 DCAARN CN(C)c1ncc2c(n1)[C@]1(CC2)CCCN(S(C)(=O)=O)C1 ZINC001704316063 1179971086 /nfs/dbraw/zinc/97/10/86/1179971086.db2.gz UQWGOXOYZVKMBN-AWEZNQCLSA-N 0 0 310.423 0.782 50 0 DCAARN Cc1ccc(CN2C[C@@H]3COC[C@H](C2)[N@H+](CC(=O)[O-])C3)nc1 ZINC001704332086 1179976554 /nfs/dbraw/zinc/97/65/54/1179976554.db2.gz WLYJEBMOBJBDSG-ZFWWWQNUSA-N 0 0 305.378 0.607 50 0 DCAARN O=C(c1cn[nH]c1)N1CC[C@H](O)[C@](CO)(Cc2ccccc2)C1 ZINC001704354451 1179982597 /nfs/dbraw/zinc/98/25/97/1179982597.db2.gz DEHRVVJUSVWVAS-DOTOQJQBSA-N 0 0 315.373 0.838 50 0 DCAARN CCn1cc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)cn1 ZINC001704354393 1179983247 /nfs/dbraw/zinc/98/32/47/1179983247.db2.gz DFOIRFJLKYXRFG-BXUZGUMPSA-N 0 0 301.350 0.369 50 0 DCAARN O=C(NCCn1cccnc1=O)[C@H]1COc2ccccc2O1 ZINC000675008177 748024734 /nfs/dbraw/zinc/02/47/34/748024734.db2.gz GNERBOCRULCRNP-CYBMUJFWSA-N 0 0 301.302 0.200 50 0 DCAARN CS(=O)(=O)N1CC[C@@H](n2cc(COCC3CC3)nn2)C1 ZINC000675019506 748027402 /nfs/dbraw/zinc/02/74/02/748027402.db2.gz KOCWYHMGULAKSX-GFCCVEGCSA-N 0 0 300.384 0.411 50 0 DCAARN COC[C@]12CN(C(C)=O)C[C@H]1CN(C(=O)c1cc(C)on1)CC2 ZINC000675020591 748027583 /nfs/dbraw/zinc/02/75/83/748027583.db2.gz DHGCDSVYKOCXIV-CJNGLKHVSA-N 0 0 321.377 0.940 50 0 DCAARN COc1cccc(CC(=O)N2[C@@H](CO)CN(C)C(=O)[C@@H]2C)c1 ZINC000675020703 748027849 /nfs/dbraw/zinc/02/78/49/748027849.db2.gz GVYCOVBCPRPCNR-WCQYABFASA-N 0 0 306.362 0.288 50 0 DCAARN CS(=O)(=O)N1C[C@H]2CN(Cc3ccoc3)CC[C@@]2(CO)C1 ZINC000675022102 748028267 /nfs/dbraw/zinc/02/82/67/748028267.db2.gz WRLVHQOUWBCUBE-KGLIPLIRSA-N 0 0 314.407 0.355 50 0 DCAARN Cn1nccc1C(=O)NCC(=O)NCCCc1cccs1 ZINC000675028288 748029805 /nfs/dbraw/zinc/02/98/05/748029805.db2.gz OUMVWZKYQAZTHH-UHFFFAOYSA-N 0 0 306.391 0.960 50 0 DCAARN O=C(CNC(=O)c1ccc(F)cc1)N[C@H]1CCCC12OCCO2 ZINC000585131372 748530984 /nfs/dbraw/zinc/53/09/84/748530984.db2.gz TWCJJYSNTIZFKE-ZDUSSCGKSA-N 0 0 322.336 0.967 50 0 DCAARN CCCn1cc(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)cn1 ZINC000823033057 758219040 /nfs/dbraw/zinc/21/90/40/758219040.db2.gz KHGISVYUWQLJGQ-VXGBXAGGSA-N 0 0 312.395 0.392 50 0 DCAARN CN1CCN(S(=O)(=O)N[C@@H]2CCc3ccccc3C2)CC1 ZINC000823791286 758275616 /nfs/dbraw/zinc/27/56/16/758275616.db2.gz RLVCOTIYCIEUIL-OAHLLOKOSA-N 0 0 309.435 0.626 50 0 DCAARN Cn1cc(CCc2nc(CC(N)=O)nn2Cc2ccccc2)cn1 ZINC000826842140 758844671 /nfs/dbraw/zinc/84/46/71/758844671.db2.gz LCKUJNZXYZZGPW-UHFFFAOYSA-N 0 0 324.388 0.873 50 0 DCAARN O=C(CCCn1cncn1)N1CCC(O)(c2cccnc2)CC1 ZINC000827908307 758893427 /nfs/dbraw/zinc/89/34/27/758893427.db2.gz BGLPDLOMJYMGIP-UHFFFAOYSA-N 0 0 315.377 0.964 50 0 DCAARN CS(=O)(=O)CCC(=O)N1CCN(C2CCCCC2)C(=O)C1 ZINC000827942771 758903227 /nfs/dbraw/zinc/90/32/27/758903227.db2.gz CHEQDGKUQNAZRA-UHFFFAOYSA-N 0 0 316.423 0.425 50 0 DCAARN O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1cncc(=O)[nH]1 ZINC000828930854 759125365 /nfs/dbraw/zinc/12/53/65/759125365.db2.gz XSMFATJBQZISCQ-JTQLQIEISA-N 0 0 316.317 0.398 50 0 DCAARN CO[C@@H]1C(=O)N(CC2CC2)C12CCN(S(C)(=O)=O)CC2 ZINC000581801642 760250893 /nfs/dbraw/zinc/25/08/93/760250893.db2.gz ADQCXCMINOXMNU-LLVKDONJSA-N 0 0 302.396 0.048 50 0 DCAARN CC(C)C(=O)N1CCC2(CC1)N(CC1CC1)C(=O)C[S@]2=O ZINC000581794321 760254007 /nfs/dbraw/zinc/25/40/07/760254007.db2.gz ZFHFFBHBUNTMAJ-OAQYLSRUSA-N 0 0 312.435 0.962 50 0 DCAARN COCCCn1c(C)cnc1[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000581815949 760256144 /nfs/dbraw/zinc/25/61/44/760256144.db2.gz KZPYWBPWCFLVDL-GFCCVEGCSA-N 0 0 301.412 0.977 50 0 DCAARN C[C@](O)(CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C1CC1 ZINC000584907209 766237274 /nfs/dbraw/zinc/23/72/74/766237274.db2.gz LPIHRJNXFJXCML-ZDUSSCGKSA-N 0 0 316.354 0.364 50 0 DCAARN CN(CC(=O)N1CCn2ccnc21)S(=O)(=O)c1ccccc1 ZINC000585122483 766287490 /nfs/dbraw/zinc/28/74/90/766287490.db2.gz OGMKHBSQUFSEJD-UHFFFAOYSA-N 0 0 320.374 0.550 50 0 DCAARN CC(C)N(C)C(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 ZINC000585135195 766291794 /nfs/dbraw/zinc/29/17/94/766291794.db2.gz LIDGMJUZIQFPOG-ZDUSSCGKSA-N 0 0 317.455 0.641 50 0 DCAARN CC(=O)N[C@@H]1CCN(c2ncnc3c2nnn3C)C12CCCC2 ZINC000585137531 766293810 /nfs/dbraw/zinc/29/38/10/766293810.db2.gz DHSLBJRLQXVEIL-LLVKDONJSA-N 0 0 315.381 0.786 50 0 DCAARN COC[C@H]1CCCN(S(=O)(=O)N(C)Cc2c[nH]nc2C)C1 ZINC000952860927 768921240 /nfs/dbraw/zinc/92/12/40/768921240.db2.gz VIZVQBKAGUENOZ-LBPRGKRZSA-N 0 0 316.427 0.753 50 0 DCAARN CCS(=O)(=O)CC(=O)Nc1ccc2[nH]c([C@@H](C)O)nc2c1 ZINC000952873141 768935814 /nfs/dbraw/zinc/93/58/14/768935814.db2.gz HAIXDGPWBADHEU-MRVPVSSYSA-N 0 0 311.363 0.989 50 0 DCAARN COCCN(C)Cc1nc2ncc(Br)cn2n1 ZINC000952882382 768950241 /nfs/dbraw/zinc/95/02/41/768950241.db2.gz VFPDHMQCWMRYDS-UHFFFAOYSA-N 0 0 300.160 0.965 50 0 DCAARN COc1cc(C)n(CCNC(=O)c2c(C)nn(C)c2C)c(=O)c1 ZINC000238867709 769734864 /nfs/dbraw/zinc/73/48/64/769734864.db2.gz MDVXTDXPPMOMQG-UHFFFAOYSA-N 0 0 318.377 0.946 50 0 DCAARN O=C(NCC1(CO)CCC1)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC001529114275 1014499407 /nfs/dbraw/zinc/49/94/07/1014499407.db2.gz OEJXAEPOAGGSDH-CABCVRRESA-N 0 0 318.373 0.522 50 0 DCAARN CC(C)N1C(=O)CO[C@H](C(=O)N(C)CCO)[C@H]1c1ccccc1 ZINC001529168445 1014510683 /nfs/dbraw/zinc/51/06/83/1014510683.db2.gz DOPFQVSRYRFYPP-CVEARBPZSA-N 0 0 320.389 0.814 50 0 DCAARN COCC[N@@H+]1CC[C@H](CN(C)c2nccc(NCC(=O)[O-])n2)C1 ZINC001529168791 1014510743 /nfs/dbraw/zinc/51/07/43/1014510743.db2.gz LVKOHJFPJMTPAU-GFCCVEGCSA-N 0 0 323.397 0.378 50 0 DCAARN CN(CCN1CCOCC1)Cc1nnc(-c2cccnc2)o1 ZINC001529167904 1014510983 /nfs/dbraw/zinc/51/09/83/1014510983.db2.gz RBRPEJGOTBRDSR-UHFFFAOYSA-N 0 0 303.366 0.896 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)CCN3CCCC3=O)C[C@@H]2O)[nH]n1 ZINC001529171938 1014512803 /nfs/dbraw/zinc/51/28/03/1014512803.db2.gz BAPVJIOORMEJDE-OCCSQVGLSA-N 0 0 320.393 0.092 50 0 DCAARN Cn1ccnc1-c1ccc(N[C@@]2(C)CCS(=O)(=O)C2)nn1 ZINC001506395478 1017252789 /nfs/dbraw/zinc/25/27/89/1017252789.db2.gz IZWJPYHVISXYPL-ZDUSSCGKSA-N 0 0 307.379 0.866 50 0 DCAARN Cc1ccccc1OC[C@@H](O)C(=O)NCCC(=O)N1CCCC1 ZINC001506406843 1017257420 /nfs/dbraw/zinc/25/74/20/1017257420.db2.gz PASJNDDWDWVSPJ-CQSZACIVSA-N 0 0 320.389 0.863 50 0 DCAARN COc1nccnc1N1CCC2(CC1)C(=O)N(C)C(=O)N2C ZINC001506415708 1017262417 /nfs/dbraw/zinc/26/24/17/1017262417.db2.gz ZVZJEOBJDMEGPY-UHFFFAOYSA-N 0 0 305.338 0.348 50 0 DCAARN Cc1noc(-c2ccnc(N3CCO[C@H](C(=O)N(C)C)C3)c2)n1 ZINC001506416864 1017262510 /nfs/dbraw/zinc/26/25/10/1017262510.db2.gz MXGVXOMOFAHIKL-LBPRGKRZSA-N 0 0 317.349 0.733 50 0 DCAARN CC(C)[C@H](C(=O)Nc1nc[nH]n1)n1nnc2ccccc2c1=O ZINC000095479790 185373589 /nfs/dbraw/zinc/37/35/89/185373589.db2.gz PRZXAOYGWZWRHV-LLVKDONJSA-N 0 0 313.321 0.745 50 0 DCAARN Cc1ccccc1[C@H](C(=O)NCc1nc(C(N)=O)no1)N(C)C ZINC000095496539 185374169 /nfs/dbraw/zinc/37/41/69/185374169.db2.gz CFJPRWVTKXIWAV-GFCCVEGCSA-N 0 0 317.349 0.396 50 0 DCAARN Cc1nc2c(c(N[C@@H](CO)C(N)=O)n1)Cc1ccccc1OC2 ZINC000095508184 185375722 /nfs/dbraw/zinc/37/57/22/185375722.db2.gz RVUGZONZSGSBLS-LBPRGKRZSA-N 0 0 314.345 0.526 50 0 DCAARN OCCc1cnc2c(-c3nc(-c4cccnn4)no3)cnn2c1 ZINC000095530013 185378900 /nfs/dbraw/zinc/37/89/00/185378900.db2.gz STVJCYUTQUNXRY-UHFFFAOYSA-N 0 0 309.289 0.771 50 0 DCAARN COC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000079112600 185158985 /nfs/dbraw/zinc/15/89/85/185158985.db2.gz YBJJTPXZTBXTDR-VIFPVBQESA-N 0 0 317.363 0.791 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCCN1CCOc1ccccc1F ZINC000079311693 185164475 /nfs/dbraw/zinc/16/44/75/185164475.db2.gz HKYXQRYBGBXXTM-NSHDSACASA-N 0 0 302.371 0.957 50 0 DCAARN Cc1nc2ncc3c(ccn(CC(=O)N4CCCC4)c3=O)n2n1 ZINC000079478885 185173289 /nfs/dbraw/zinc/17/32/89/185173289.db2.gz BIBWZNBIQOTKEH-UHFFFAOYSA-N 0 0 312.333 0.370 50 0 DCAARN C[NH2+]CC(=O)N1C[C@@H]2c3ccc(OC)cc3OC[C@]2(C(=O)[O-])C1 ZINC000095529610 290639023 /nfs/dbraw/zinc/63/90/23/290639023.db2.gz ZFUAXCSACLPYSF-MLGOLLRUSA-N 0 0 320.345 0.304 50 0 DCAARN CC(=O)N[C@H]1CCCN(C(=O)NCc2nnc3ccccn32)C1 ZINC000089954661 185271551 /nfs/dbraw/zinc/27/15/51/185271551.db2.gz TWDZPQKVPQHXQZ-LBPRGKRZSA-N 0 0 316.365 0.539 50 0 DCAARN Cc1[nH]nc2ncc(NC(=O)[C@@H](C)N3CCN(C)CC3)cc12 ZINC000090417657 185295062 /nfs/dbraw/zinc/29/50/62/185295062.db2.gz GXHSSLNYPZLHET-LLVKDONJSA-N 0 0 302.382 0.841 50 0 DCAARN COc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)on1 ZINC000090706645 185311157 /nfs/dbraw/zinc/31/11/57/185311157.db2.gz LJEDKDFFCUEOLA-UHFFFAOYSA-N 0 0 305.290 0.874 50 0 DCAARN COc1nn(C)cc1C(=O)NC[C@H](O)c1ccc(N(C)C)cc1 ZINC000090611673 185306580 /nfs/dbraw/zinc/30/65/80/185306580.db2.gz WINWGYFUUXVNQL-AWEZNQCLSA-N 0 0 318.377 0.958 50 0 DCAARN CCOc1ccc(-c2nnc(SCC(=O)NC)n2N)cc1 ZINC000003364531 190617625 /nfs/dbraw/zinc/61/76/25/190617625.db2.gz IOAIOGFJPFNXAA-UHFFFAOYSA-N 0 0 307.379 0.896 50 0 DCAARN CCS(=O)(=O)N1CCC(C(=O)Nc2nnc(C)s2)CC1 ZINC000006743700 190624152 /nfs/dbraw/zinc/62/41/52/190624152.db2.gz LGBWDLAUJPZWFJ-UHFFFAOYSA-N 0 0 318.424 0.847 50 0 DCAARN Cc1ccccc1CNC(=O)N1CC[C@@]2(CC(=O)NC2=O)C1 ZINC000082134602 192360594 /nfs/dbraw/zinc/36/05/94/192360594.db2.gz AALXFMYYPDEQDE-MRXNPFEDSA-N 0 0 301.346 0.943 50 0 DCAARN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)CNC(N)=O ZINC000095390832 185351373 /nfs/dbraw/zinc/35/13/73/185351373.db2.gz NPSCUALIKDCETN-LBPRGKRZSA-N 0 0 301.350 0.905 50 0 DCAARN Cc1ccccc1-c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 ZINC000095395250 185352546 /nfs/dbraw/zinc/35/25/46/185352546.db2.gz ROCYTQZBMQTINZ-UHFFFAOYSA-N 0 0 313.317 0.875 50 0 DCAARN O=C1[C@@H](N2CCN(CCO)CC2)CCCN1c1ccccc1 ZINC000095397640 185353260 /nfs/dbraw/zinc/35/32/60/185353260.db2.gz RQMDBJGQFHQOCL-INIZCTEOSA-N 0 0 303.406 0.792 50 0 DCAARN Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC(C)(C)C3(C)C)cnc21 ZINC000095409007 185356777 /nfs/dbraw/zinc/35/67/77/185356777.db2.gz ZTCVYVHLESLQOW-UHFFFAOYSA-N 0 0 316.361 0.882 50 0 DCAARN Cc1ccc(C)c(CS(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2O)c1 ZINC000095450347 185368812 /nfs/dbraw/zinc/36/88/12/185368812.db2.gz FTDQCUACUOIMHX-STQMWFEESA-N 0 0 318.416 0.376 50 0 DCAARN O=C(NC[C@@H]1COC2(CCCC2)O1)N[C@H]1CCS(=O)(=O)C1 ZINC000095459421 185370803 /nfs/dbraw/zinc/37/08/03/185370803.db2.gz CDKVLHDEMUPYMR-WDEREUQCSA-N 0 0 318.395 0.158 50 0 DCAARN O=C(CN1C(=O)CNC1=O)Nc1cc2c(cc1Cl)OCO2 ZINC000095469642 185372304 /nfs/dbraw/zinc/37/23/04/185372304.db2.gz FBIKGWSVUWURBY-UHFFFAOYSA-N 0 0 311.681 0.559 50 0 DCAARN COc1ccccc1OCc1cc(C(=O)NCC(N)=O)[nH]n1 ZINC000067642542 190712155 /nfs/dbraw/zinc/71/21/55/190712155.db2.gz QZBYWJIHBXUZDB-UHFFFAOYSA-N 0 0 304.306 0.212 50 0 DCAARN CCOc1ccnc(N2CCN(C(=O)c3cnccn3)CC2)n1 ZINC000069778867 190817155 /nfs/dbraw/zinc/81/71/55/190817155.db2.gz FIADIWWZZCDSRE-UHFFFAOYSA-N 0 0 314.349 0.628 50 0 DCAARN Cn1cc(-n2cc3[nH]c(N4CCOCC4)ncc-3c2=O)cn1 ZINC000046087975 282657080 /nfs/dbraw/zinc/65/70/80/282657080.db2.gz CSVPAFAEHFUVJP-UHFFFAOYSA-N 0 0 300.322 0.207 50 0 DCAARN Cc1cc(C)n(CC(=O)N2CCO[C@H](C(F)(F)F)C2)c(=O)n1 ZINC000071768067 191029026 /nfs/dbraw/zinc/02/90/26/191029026.db2.gz IYQQAJDKLZWHDR-JTQLQIEISA-N 0 0 319.283 0.650 50 0 DCAARN CC(C)CN1CCN(CC(=O)NCc2ccccn2)[C@H](C)C1=O ZINC000072121754 191039668 /nfs/dbraw/zinc/03/96/68/191039668.db2.gz GBEKJLUHRFDJOM-CQSZACIVSA-N 0 0 318.421 0.887 50 0 DCAARN CN1C[C@@H]2CC[C@H](CC1=O)N2S(=O)(=O)NCc1ccccc1 ZINC000072131737 191045150 /nfs/dbraw/zinc/04/51/50/191045150.db2.gz GVTFORJCVMQNKN-KGLIPLIRSA-N 0 0 323.418 0.716 50 0 DCAARN Cc1c[nH]c(C(=O)NC[C@H]2CCN(c3cnn(C)c(=O)c3)C2)n1 ZINC000072143596 191050188 /nfs/dbraw/zinc/05/01/88/191050188.db2.gz ABGUZAPXZSCACU-LLVKDONJSA-N 0 0 316.365 0.068 50 0 DCAARN COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NC(C)C ZINC000072146162 191052423 /nfs/dbraw/zinc/05/24/23/191052423.db2.gz QVJPESDRONADIG-AWEZNQCLSA-N 0 0 319.405 0.910 50 0 DCAARN COc1nc2c(cc1C(=O)N1CCC[C@](O)(CO)C1)CCC2 ZINC000072150672 191056552 /nfs/dbraw/zinc/05/65/52/191056552.db2.gz NBJKGZULQMKDOM-MRXNPFEDSA-N 0 0 306.362 0.538 50 0 DCAARN Cc1cc2nc(C(=O)N3CCC[C@](O)(CO)CC3)cc(C)n2n1 ZINC000072152093 191057532 /nfs/dbraw/zinc/05/75/32/191057532.db2.gz MYRLZGOBJLUGFG-MRXNPFEDSA-N 0 0 318.377 0.696 50 0 DCAARN O=C(CCn1c(=O)[nH]c2ccccc21)N1CCn2cncc2C1 ZINC000072152475 191057549 /nfs/dbraw/zinc/05/75/49/191057549.db2.gz MXUITVJRSJIRAE-UHFFFAOYSA-N 0 0 311.345 0.959 50 0 DCAARN CCn1nc(CC(C)C)cc1C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC000072158023 191061172 /nfs/dbraw/zinc/06/11/72/191061172.db2.gz GIDAOUKZFRFXPB-DOMZBBRYSA-N 0 0 309.410 0.917 50 0 DCAARN CCNC(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1 ZINC000072162108 191062930 /nfs/dbraw/zinc/06/29/30/191062930.db2.gz IGGMFCGQUCHLCB-OAHLLOKOSA-N 0 0 303.406 0.946 50 0 DCAARN CCCS(=O)(=O)CC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000072234946 191080811 /nfs/dbraw/zinc/08/08/11/191080811.db2.gz ZNQDAPRKTJVYGG-LLVKDONJSA-N 0 0 300.384 0.266 50 0 DCAARN COC(=O)CSCCNC(=O)NCCSCC(=O)OC ZINC000072275816 191097560 /nfs/dbraw/zinc/09/75/60/191097560.db2.gz GUBAFKNSSPAZEY-UHFFFAOYSA-N 0 0 324.424 0.098 50 0 DCAARN Cc1cn2c(n1)CC[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C2 ZINC000072278933 191099369 /nfs/dbraw/zinc/09/93/69/191099369.db2.gz AWBFEVRWYXSXQQ-RYUDHWBXSA-N 0 0 311.407 0.447 50 0 DCAARN CCn1cc(CN2CCCN(C(=O)c3cc[nH]n3)CC2)cn1 ZINC000072279836 191100998 /nfs/dbraw/zinc/10/09/98/191100998.db2.gz GUMIYJMILJLZNJ-UHFFFAOYSA-N 0 0 302.382 0.974 50 0 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ASANBEWOGLKCAN-WBMJQRKESA-N 0 0 319.409 0.421 50 0 DCAARN O=c1c(Cl)c(NC(CO)CO)cnn1Cc1ccccc1 ZINC000072301687 191115364 /nfs/dbraw/zinc/11/53/64/191115364.db2.gz YIMUYWNJQNCWEJ-UHFFFAOYSA-N 0 0 309.753 0.710 50 0 DCAARN CN(CC(N)=O)C[C@H]1CN(c2ccnc3ccncc32)CCO1 ZINC000253397858 186306135 /nfs/dbraw/zinc/30/61/35/186306135.db2.gz DLUHLFOYUMQAJN-LBPRGKRZSA-N 0 0 315.377 0.252 50 0 DCAARN COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1cccnc1 ZINC000018266152 290926042 /nfs/dbraw/zinc/92/60/42/290926042.db2.gz NSCYRQTWDJXZNG-NSHDSACASA-N 0 0 313.313 0.946 50 0 DCAARN O=S1(=O)C[C@H]2[C@@H](C1)N(Cc1cccnc1)CCN2CC1CC1 ZINC000072410606 191154257 /nfs/dbraw/zinc/15/42/57/191154257.db2.gz IFNDMUAYTVUCAN-JKSUJKDBSA-N 0 0 321.446 0.775 50 0 DCAARN Cc1nn(C)c2ncnc(N(C)C[C@H](C)N3CCOCC3)c12 ZINC000072423390 191158283 /nfs/dbraw/zinc/15/82/83/191158283.db2.gz DZZADMURVGPWEZ-NSHDSACASA-N 0 0 304.398 0.829 50 0 DCAARN O=C([O-])[C@@]12CNC(=O)[C@@H]1C[N@H+](Cc1ccc3nsnc3c1)C2 ZINC000072428128 191160985 /nfs/dbraw/zinc/16/09/85/191160985.db2.gz XHDWEHULBIUYFB-LKFCYVNXSA-N 0 0 318.358 0.324 50 0 DCAARN COc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](O)C2)cc1C ZINC000072453896 191171450 /nfs/dbraw/zinc/17/14/50/191171450.db2.gz XZPNFDNASQZWPY-RYUDHWBXSA-N 0 0 301.364 0.120 50 0 DCAARN Cc1cccn2c(CNC(=O)[C@H]3NCCc4nc[nH]c43)cnc12 ZINC000072453613 191171925 /nfs/dbraw/zinc/17/19/25/191171925.db2.gz PZENNNMXOUYVDW-AWEZNQCLSA-N 0 0 310.361 0.869 50 0 DCAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2nnn(C)n2)c1 ZINC000000523131 180812543 /nfs/dbraw/zinc/81/25/43/180812543.db2.gz YBMIYGRIZMSEDI-UHFFFAOYSA-N 0 0 322.350 0.354 50 0 DCAARN CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O ZINC000001530635 180871663 /nfs/dbraw/zinc/87/16/63/180871663.db2.gz GGXKWVWZWMLJEH-UHFFFAOYSA-N 0 0 321.337 0.541 50 0 fda DCAARN CCOC(=O)c1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 ZINC000001619325 180880055 /nfs/dbraw/zinc/88/00/55/180880055.db2.gz YAIFJZRMKDMIOX-UHFFFAOYSA-N 0 0 317.301 0.352 50 0 DCAARN CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nnnn2C)C1 ZINC000003241889 180995250 /nfs/dbraw/zinc/99/52/50/180995250.db2.gz SKSRDZGMVCJFSO-SECBINFHSA-N 0 0 313.383 0.104 50 0 DCAARN CC(=O)N1CCN(C(=O)C[C@H]2OC(=O)c3ccccc32)CC1 ZINC000003360388 181011602 /nfs/dbraw/zinc/01/16/02/181011602.db2.gz BNAUHUMLQUDITK-CQSZACIVSA-N 0 0 302.330 0.979 50 0 DCAARN NC(=O)Nc1ccc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000003408979 181016645 /nfs/dbraw/zinc/01/66/45/181016645.db2.gz YDRHQRYRPVVPKR-LBPRGKRZSA-N 0 0 321.333 0.629 50 0 DCAARN CNC(=O)c1nnsc1Sc1snnc1C(=O)NC ZINC000003770880 181045267 /nfs/dbraw/zinc/04/52/67/181045267.db2.gz AGGLEZFSTCEOTM-UHFFFAOYSA-N 0 0 316.393 0.260 50 0 DCAARN CCCn1c(=O)c2c(nc3n2cc(C)n3CCOC)n(C)c1=O ZINC000004251042 181088571 /nfs/dbraw/zinc/08/85/71/181088571.db2.gz XMRVHSJOMMHHSE-UHFFFAOYSA-N 0 0 319.365 0.514 50 0 DCAARN C[C@H]1CN(C(=O)CSc2nc3n[nH]cc3c(=O)[nH]2)C[C@H](C)O1 ZINC000004249745 181087804 /nfs/dbraw/zinc/08/78/04/181087804.db2.gz BWASVLGGYDPHQL-YUMQZZPRSA-N 0 0 323.378 0.374 50 0 DCAARN CCN1CCN(CC(=O)Nc2ccc(OC)cc2)C(=O)C1=O ZINC000004326314 181097749 /nfs/dbraw/zinc/09/77/49/181097749.db2.gz LLPBCKCKMZSANX-UHFFFAOYSA-N 0 0 305.334 0.324 50 0 DCAARN COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@]2(CO)O1 ZINC000004379998 181104281 /nfs/dbraw/zinc/10/42/81/181104281.db2.gz BJEVEMRRSNALSU-NFFDBFGFSA-N 0 0 301.298 0.501 50 0 DCAARN CCCNC(=O)NC(=O)CSc1nnc(-c2ccco2)n1N ZINC000004538166 181121153 /nfs/dbraw/zinc/12/11/53/181121153.db2.gz MTUFFIDGOUTXJT-UHFFFAOYSA-N 0 0 324.366 0.580 50 0 DCAARN Cc1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1Cl ZINC000004495771 181115000 /nfs/dbraw/zinc/11/50/00/181115000.db2.gz SQRLKUMEVBGGSS-UHFFFAOYSA-N 0 0 315.738 0.826 50 0 DCAARN CNS(=O)(=O)c1cccc2c1cccc2S(=O)(=O)NC ZINC000004811166 181154396 /nfs/dbraw/zinc/15/43/96/181154396.db2.gz SJFHHXCYROQKEV-UHFFFAOYSA-N 0 0 314.388 0.656 50 0 DCAARN COC(=O)CCNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000007781107 291042157 /nfs/dbraw/zinc/04/21/57/291042157.db2.gz KORMUZBECIMPAM-UHFFFAOYSA-N 0 0 322.405 0.998 50 0 DCAARN NS(=O)(=O)c1ccc(CCNc2ncnc3nc[nH]c32)cc1 ZINC000004963925 181180437 /nfs/dbraw/zinc/18/04/37/181180437.db2.gz HNTKMTOFOQSLQA-UHFFFAOYSA-N 0 0 318.362 0.655 50 0 DCAARN C[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)[C@@H]1CCCO1 ZINC000027883854 299230785 /nfs/dbraw/zinc/23/07/85/299230785.db2.gz DGUCYLHTKYVHCT-TUAOUCFPSA-N 0 0 304.412 0.484 50 0 DCAARN COCCCNC(=O)Cn1nc(C)n2c3ccoc3cc2c1=O ZINC000005149298 181209261 /nfs/dbraw/zinc/20/92/61/181209261.db2.gz PUSJZUHPIBFRMD-UHFFFAOYSA-N 0 0 318.333 0.703 50 0 DCAARN Cc1nc(CCNC(=O)N2CCS(=O)(=O)CC2)cs1 ZINC000078446778 191864075 /nfs/dbraw/zinc/86/40/75/191864075.db2.gz DYQLLRUBRBWJDI-UHFFFAOYSA-N 0 0 303.409 0.434 50 0 DCAARN O=c1[nH]cc(S(=O)(=O)NCc2ccccc2Cl)c(=O)[nH]1 ZINC000005375895 181236069 /nfs/dbraw/zinc/23/60/69/181236069.db2.gz SHMNQWKVCAHRJP-UHFFFAOYSA-N 0 0 315.738 0.195 50 0 DCAARN CC(=O)c1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1 ZINC000005329132 181230083 /nfs/dbraw/zinc/23/00/83/181230083.db2.gz JMKCWWRXZJBVHQ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/82/52/08/192825208.db2.gz QIUQGPLAEPMSPZ-LBPRGKRZSA-N 0 0 322.361 0.868 50 0 DCAARN CCc1nnc(CNC(=O)Cn2cnc3ccsc3c2=O)o1 ZINC000426661189 240354507 /nfs/dbraw/zinc/35/45/07/240354507.db2.gz GORNPOJUCJRGCK-UHFFFAOYSA-N 0 0 319.346 0.720 50 0 DCAARN Cc1nc(C)c([C@H](C)N(C)C(=O)CN2CCNCC2=O)s1 ZINC000237595149 202296559 /nfs/dbraw/zinc/29/65/59/202296559.db2.gz CFXBGGPHURMMNU-JTQLQIEISA-N 0 0 310.423 0.711 50 0 DCAARN NS(=O)(=O)N1CCN(Cc2cc(F)ccc2Cl)CC1 ZINC000188999880 200333809 /nfs/dbraw/zinc/33/38/09/200333809.db2.gz ULHRBSQFHGCAFJ-UHFFFAOYSA-N 0 0 307.778 0.800 50 0 DCAARN O=C([O-])[C@@H](CC(=O)Nc1ccc(F)cc1F)N1CC[NH2+]CC1 ZINC000022593015 304092703 /nfs/dbraw/zinc/09/27/03/304092703.db2.gz REXNGKNNXOTWFQ-GFCCVEGCSA-N 0 0 313.304 0.652 50 0 DCAARN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000240225413 238158355 /nfs/dbraw/zinc/15/83/55/238158355.db2.gz DHQMONRRAXXTRK-YPMHNXCESA-N 0 0 315.439 0.706 50 0 DCAARN CCNC(=O)NC(=O)COC(=O)[C@@H]1COc2ccccc2O1 ZINC000006055285 181308831 /nfs/dbraw/zinc/30/88/31/181308831.db2.gz DBUHEEPJOIKSEP-NSHDSACASA-N 0 0 308.290 0.215 50 0 DCAARN CNC(=O)NC(=O)CSc1nncn1-c1ccccc1F ZINC000006129195 181315098 /nfs/dbraw/zinc/31/50/98/181315098.db2.gz BOCDRMGKGRFBCS-UHFFFAOYSA-N 0 0 309.326 0.954 50 0 DCAARN CCOC(=O)Cc1csc(SCC(=O)NC(=O)NC)n1 ZINC000006206244 181319010 /nfs/dbraw/zinc/31/90/10/181319010.db2.gz KZFXRADIYRBCIW-UHFFFAOYSA-N 0 0 317.392 0.796 50 0 DCAARN CCn1ncnc1CN1CCC([C@H](O)c2nccn2C)CC1 ZINC000193441552 201051659 /nfs/dbraw/zinc/05/16/59/201051659.db2.gz PDCODZWBXLUFKA-AWEZNQCLSA-N 0 0 304.398 0.977 50 0 DCAARN Cn1ccc(NC(=O)CN2CCN(C(=O)c3ccc[nH]3)CC2)n1 ZINC000244873031 202505085 /nfs/dbraw/zinc/50/50/85/202505085.db2.gz WIYYNZNTGIOPAW-UHFFFAOYSA-N 0 0 316.365 0.145 50 0 DCAARN CCc1nnsc1C(=O)NC[C@H](CO)Cc1cnn(C)c1 ZINC000408516005 239271030 /nfs/dbraw/zinc/27/10/30/239271030.db2.gz BAZHQMBHLGAFNE-SNVBAGLBSA-N 0 0 309.395 0.415 50 0 DCAARN Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)co1 ZINC000409414752 239276499 /nfs/dbraw/zinc/27/64/99/239276499.db2.gz WJRHBKOXJQMSIR-UHFFFAOYSA-N 0 0 304.306 0.345 50 0 DCAARN COC(=O)C1=C(OC(C)=O)c2ccccc2S(=O)(=O)N1C ZINC000009250812 283744487 /nfs/dbraw/zinc/74/44/87/283744487.db2.gz VPIKHUBBIVSZTE-UHFFFAOYSA-N 0 0 311.315 0.725 50 0 DCAARN CC(=O)NCCc1ccc(C(=O)CSc2nnnn2C)cc1 ZINC000006608532 181360801 /nfs/dbraw/zinc/36/08/01/181360801.db2.gz MIUSRIIAQTVYQM-UHFFFAOYSA-N 0 0 319.390 0.864 50 0 DCAARN NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc[n+]([O-])c1 ZINC000006650045 181364875 /nfs/dbraw/zinc/36/48/75/181364875.db2.gz VOODANNQRIHYPG-UHFFFAOYSA-N 0 0 321.314 0.276 50 0 DCAARN COc1ccc(C[C@@](C)(O)CNC(=O)N2CCNC2=O)cc1 ZINC000206706527 201429989 /nfs/dbraw/zinc/42/99/89/201429989.db2.gz XSMBHPKGZZRYHX-OAHLLOKOSA-N 0 0 307.350 0.724 50 0 DCAARN CC(C)=CC[C@]1(CO)CCCN(C(=O)Cn2nnnc2C)C1 ZINC000091326047 193040402 /nfs/dbraw/zinc/04/04/02/193040402.db2.gz IPEVXDVMRSVFQH-OAHLLOKOSA-N 0 0 307.398 0.939 50 0 DCAARN COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc(C)on1)C2 ZINC000091434475 193055398 /nfs/dbraw/zinc/05/53/98/193055398.db2.gz SNRVNRDKXINJJV-NWDGAFQWSA-N 0 0 307.350 0.692 50 0 DCAARN O=C(NCCc1cnccn1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000091440245 193056064 /nfs/dbraw/zinc/05/60/64/193056064.db2.gz DRVRRBDQTQHMAT-GFCCVEGCSA-N 0 0 302.378 0.926 50 0 DCAARN CCN1C[C@H](C(=O)N2CCN(c3ncccn3)CC2)CCC1=O ZINC000091585995 193075990 /nfs/dbraw/zinc/07/59/90/193075990.db2.gz XBKPYVXVSDNFDR-CYBMUJFWSA-N 0 0 317.393 0.384 50 0 DCAARN CC(C)(C)c1nnc(N2CCN(C(=O)c3nc[nH]n3)CC2)o1 ZINC000091616900 193079558 /nfs/dbraw/zinc/07/95/58/193079558.db2.gz QASUJEZWGQJQFP-UHFFFAOYSA-N 0 0 305.342 0.448 50 0 DCAARN CC(=O)NCCNC(=O)c1cnc(-c2ccccc2)[nH]c1=O ZINC000091475428 193061141 /nfs/dbraw/zinc/06/11/41/193061141.db2.gz QFWMRDUZSQLJAB-UHFFFAOYSA-N 0 0 300.318 0.303 50 0 DCAARN CCCN(Cc1nccn1C)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C ZINC000091664661 193086716 /nfs/dbraw/zinc/08/67/16/193086716.db2.gz GLYALWMWRQGHQZ-NSHDSACASA-N 0 0 321.381 0.441 50 0 DCAARN CC[C@@H](C(=O)N1CCN(c2ncccn2)CC1)n1cccn1 ZINC000091713378 193096151 /nfs/dbraw/zinc/09/61/51/193096151.db2.gz WXPKZLJFRHDOOR-ZDUSSCGKSA-N 0 0 300.366 0.973 50 0 DCAARN O=C(NCCOCCO)c1cnc(-c2ccccc2)[nH]c1=O ZINC000091738597 193099912 /nfs/dbraw/zinc/09/99/12/193099912.db2.gz OLDNFBOISKHORA-UHFFFAOYSA-N 0 0 303.318 0.176 50 0 DCAARN Cn1ccnc1-c1cn(Cc2ccc(S(N)(=O)=O)cc2)nn1 ZINC000092077297 193153796 /nfs/dbraw/zinc/15/37/96/193153796.db2.gz LTYZPNLPILCOIU-UHFFFAOYSA-N 0 0 318.362 0.374 50 0 DCAARN O=C(NCCc1noc([C@@H]2CCCO2)n1)c1ncccc1O ZINC000215597385 201464634 /nfs/dbraw/zinc/46/46/34/201464634.db2.gz JWWWOSLHRFQOTK-JTQLQIEISA-N 0 0 304.306 0.994 50 0 DCAARN O=C(NC[C@H](O)CO)c1coc(COc2cccc(F)c2)n1 ZINC000092099088 193157942 /nfs/dbraw/zinc/15/79/42/193157942.db2.gz RSGYJYAAXZZTEI-JTQLQIEISA-N 0 0 310.281 0.476 50 0 DCAARN CC[C@@H](NC(=O)c1c[nH]c2cc(C)nn2c1=O)[C@H]1C[C@H](O)C1 ZINC000222423267 201610259 /nfs/dbraw/zinc/61/02/59/201610259.db2.gz LNGJOAQCVMYAJX-JFGNBEQYSA-N 0 0 304.350 0.610 50 0 DCAARN NC(=O)c1ccc(OCCCN2CCS(=O)(=O)CC2)cc1 ZINC000252510003 202859823 /nfs/dbraw/zinc/85/98/23/202859823.db2.gz YZUJWZIAMVYNNQ-UHFFFAOYSA-N 0 0 312.391 0.285 50 0 DCAARN CC(C)(C)OC(=O)Cn1nnc(-c2ccc(C(N)=O)cc2)n1 ZINC000007143339 181442405 /nfs/dbraw/zinc/44/24/05/181442405.db2.gz PEDZAADDWRALBQ-UHFFFAOYSA-N 0 0 303.322 0.781 50 0 DCAARN CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1ccc2nnnn2n1 ZINC000095975498 193470483 /nfs/dbraw/zinc/47/04/83/193470483.db2.gz UVOGRXXVVFZTQG-GFCCVEGCSA-N 0 0 311.349 0.631 50 0 DCAARN CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000096098217 193537069 /nfs/dbraw/zinc/53/70/69/193537069.db2.gz UOIOYBPUZIFTPR-UHFFFAOYSA-N 0 0 303.405 0.884 50 0 DCAARN COC(=O)CNC(=O)c1ccc(=O)n(-c2ccc(OC)cc2)c1 ZINC000096192074 193570717 /nfs/dbraw/zinc/57/07/17/193570717.db2.gz AGBJBBATPCLLEI-UHFFFAOYSA-N 0 0 316.313 0.749 50 0 DCAARN NC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc(F)c1F ZINC000096428526 193637513 /nfs/dbraw/zinc/63/75/13/193637513.db2.gz QCKFYONHOTZIEV-IONNQARKSA-N 0 0 304.318 0.897 50 0 DCAARN O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCCC1 ZINC000008923490 181591430 /nfs/dbraw/zinc/59/14/30/181591430.db2.gz CYSRYRWCDORXKT-UHFFFAOYSA-N 0 0 308.359 0.708 50 0 DCAARN CN1c2ccccc2[C@@H](NC(=O)C(=O)NCc2ccncc2)C1=O ZINC000009341293 181616301 /nfs/dbraw/zinc/61/63/01/181616301.db2.gz IXKNDTJXMPVGOH-CQSZACIVSA-N 0 0 324.340 0.532 50 0 DCAARN COCCCNC(=O)C(=O)Nc1c2ccccc2oc1C(N)=O ZINC000010254174 181662127 /nfs/dbraw/zinc/66/21/27/181662127.db2.gz JNVPIXNEVLYBGZ-UHFFFAOYSA-N 0 0 319.317 0.623 50 0 DCAARN CN(C)c1ncc2c(n1)CCC[C@@H]2NC(=O)CCn1cncn1 ZINC000012223829 181741660 /nfs/dbraw/zinc/74/16/60/181741660.db2.gz NPWXALLRUYATTQ-LBPRGKRZSA-N 0 0 315.381 0.718 50 0 DCAARN CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1 ZINC000012583948 181780079 /nfs/dbraw/zinc/78/00/79/181780079.db2.gz JUAKKJPYMWVLJJ-UHFFFAOYSA-N 0 0 308.319 0.394 50 0 DCAARN O[C@@H]1[C@@H](O)CO[C@@H](Oc2ccc(Br)cc2)[C@H]1O ZINC000012659951 181786314 /nfs/dbraw/zinc/78/63/14/181786314.db2.gz RYMCGIWYPIFYRA-VLEAKVRGSA-N 0 0 305.124 0.267 50 0 biogenic DCAARN O=C(/C=c1\sc2n(c1=O)CCN=2)Nc1ccc(Cl)cc1 ZINC000014010925 181919942 /nfs/dbraw/zinc/91/99/42/181919942.db2.gz VBYQHYYHVAAOPU-YFHOEESVSA-N 0 0 307.762 0.616 50 0 DCAARN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccnn2C)cc1 ZINC000014239063 181940957 /nfs/dbraw/zinc/94/09/57/181940957.db2.gz KIOGWFBSMYSJMF-UHFFFAOYSA-N 0 0 308.363 0.857 50 0 DCAARN CC(=O)N[C@@H](C(=O)Nc1cccc(-c2nnnn2C)c1)C(C)C ZINC000014516362 181956035 /nfs/dbraw/zinc/95/60/35/181956035.db2.gz BEPBKNGDQGUGJT-CYBMUJFWSA-N 0 0 316.365 0.976 50 0 DCAARN O=C([C@@H](c1ccccc1)N1CCNC(=O)C1)N1CCOCC1 ZINC000015479716 182004266 /nfs/dbraw/zinc/00/42/66/182004266.db2.gz JAZYWGJYSHNJDH-OAHLLOKOSA-N 0 0 303.362 0.018 50 0 DCAARN Cc1ccc(N2C(=O)C[C@@H](N3CCN(CCO)CC3)C2=O)cc1 ZINC000019210596 182107241 /nfs/dbraw/zinc/10/72/41/182107241.db2.gz CQNYQDHUXMAVOX-OAHLLOKOSA-N 0 0 317.389 0.237 50 0 DCAARN Cc1ccccc1NC(=O)C(=O)NCCCN1CCOCC1 ZINC000019202122 182107443 /nfs/dbraw/zinc/10/74/43/182107443.db2.gz CZTXMNVYVFPXOZ-UHFFFAOYSA-N 0 0 305.378 0.772 50 0 DCAARN O[C@@H](COC[C@H]1COc2ccccc2O1)CN1CCOCC1 ZINC000019770748 182145256 /nfs/dbraw/zinc/14/52/56/182145256.db2.gz RPEZPIZPVMBCDB-KGLIPLIRSA-N 0 0 309.362 0.536 50 0 DCAARN COc1ccccc1OCC(=O)NCCCN1CCOCC1 ZINC000019877525 182160011 /nfs/dbraw/zinc/16/00/11/182160011.db2.gz GTFMTQYSECRTDR-UHFFFAOYSA-N 0 0 308.378 0.913 50 0 DCAARN CCn1c2ccc(S(=O)(=O)NCCCOC)cc2oc1=O ZINC000019936721 182167026 /nfs/dbraw/zinc/16/70/26/182167026.db2.gz NNOIORGYQQQRNC-UHFFFAOYSA-N 0 0 314.363 0.929 50 0 DCAARN CN1CC[NH+]([C@H](CC(=O)Nc2cccc(O)c2)C(=O)[O-])CC1 ZINC000020363115 182211578 /nfs/dbraw/zinc/21/15/78/182211578.db2.gz UEGUKWRVKLSGJN-CYBMUJFWSA-N 0 0 307.350 0.421 50 0 DCAARN CCOC(=O)N1CCN(c2c(=O)c(=O)c2NC2CCCC2)CC1 ZINC000020379014 182212932 /nfs/dbraw/zinc/21/29/32/182212932.db2.gz AHIYCXYUWFXACI-UHFFFAOYSA-N 0 0 321.377 0.916 50 0 DCAARN CCCN(Cc1ccco1)C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC000020536513 182227516 /nfs/dbraw/zinc/22/75/16/182227516.db2.gz FLGIFYAVAYXIJX-UHFFFAOYSA-N 0 0 305.334 0.946 50 0 DCAARN Cc1cc(N(CCO)CCO)n2nc(-c3ccccc3)nc2n1 ZINC000020888738 182251666 /nfs/dbraw/zinc/25/16/66/182251666.db2.gz JUXCYCFWLDWAKO-UHFFFAOYSA-N 0 0 313.361 0.891 50 0 DCAARN CCCN1C[C@@H](NC(=O)[C@@H]2COc3ccccc3O2)CC1=O ZINC000020996159 182258294 /nfs/dbraw/zinc/25/82/94/182258294.db2.gz UVWMZPAZONTGRL-FZMZJTMJSA-N 0 0 304.346 0.954 50 0 DCAARN CC[C@H](CO)NC(=O)c1nn(-c2ccccc2F)nc1CO ZINC000021149095 182266834 /nfs/dbraw/zinc/26/68/34/182266834.db2.gz VCUGHZZYFUETKD-SECBINFHSA-N 0 0 308.313 0.399 50 0 DCAARN CCOC(=O)c1c[nH]nc1S(=O)(=O)NCc1cccnc1 ZINC000021883889 182296386 /nfs/dbraw/zinc/29/63/86/182296386.db2.gz NHANCFYEVZAIGC-UHFFFAOYSA-N 0 0 310.335 0.460 50 0 DCAARN Cc1csc(=O)n1CC(=O)OCC(=O)N[C@@H](C)C(C)C ZINC000022382358 182320444 /nfs/dbraw/zinc/32/04/44/182320444.db2.gz JIAMFZRQMNGBMK-JTQLQIEISA-N 0 0 300.380 0.922 50 0 DCAARN O=C(NC(CO)(CO)CO)c1cccc(-c2ccc(O)cc2)c1 ZINC000022215562 182313551 /nfs/dbraw/zinc/31/35/51/182313551.db2.gz JQNSDXDSAUBIBS-UHFFFAOYSA-N 0 0 317.341 0.505 50 0 DCAARN COCCNC(=O)CN1CCN(Cc2csc(C)n2)CC1 ZINC000022814352 182336102 /nfs/dbraw/zinc/33/61/02/182336102.db2.gz HERWNAROOFATDD-UHFFFAOYSA-N 0 0 312.439 0.332 50 0 DCAARN COCCN1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000022820668 182336253 /nfs/dbraw/zinc/33/62/53/182336253.db2.gz XNIMUTHYFLUFHY-UHFFFAOYSA-N 0 0 301.394 0.976 50 0 DCAARN O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1ccccc1 ZINC000022935542 182341754 /nfs/dbraw/zinc/34/17/54/182341754.db2.gz MAOUZISATSUMGW-UHFFFAOYSA-N 0 0 316.405 0.521 50 0 DCAARN O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccc(=O)[nH]n1 ZINC000023054990 182346384 /nfs/dbraw/zinc/34/63/84/182346384.db2.gz DRXCVWSYDCSPRM-UHFFFAOYSA-N 0 0 316.317 0.810 50 0 DCAARN COc1cc(C(C)=O)ccc1OCC(=O)N1CCNC(=O)C1 ZINC000023418807 182360590 /nfs/dbraw/zinc/36/05/90/182360590.db2.gz XYYXIBQFLQTGAX-UHFFFAOYSA-N 0 0 306.318 0.235 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)c1ccccc1OCC(N)=O ZINC000024478288 182381518 /nfs/dbraw/zinc/38/15/18/182381518.db2.gz GSZVZKWIFWZJRN-UHFFFAOYSA-N 0 0 302.334 0.556 50 0 DCAARN C[C@H](CNS(=O)(=O)c1cccc(F)c1)N1CCOCC1 ZINC000024682057 182386935 /nfs/dbraw/zinc/38/69/35/182386935.db2.gz OGMFJXGDQGKGGR-LLVKDONJSA-N 0 0 302.371 0.825 50 0 DCAARN Cc1c(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cnn1C ZINC000024685262 182387643 /nfs/dbraw/zinc/38/76/43/182387643.db2.gz YKCHXRZQEIWQMT-LLVKDONJSA-N 0 0 314.411 0.272 50 0 DCAARN NC(=O)C1CCN(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000026520193 182444442 /nfs/dbraw/zinc/44/44/42/182444442.db2.gz NTKGTMWYETVYJH-GFCCVEGCSA-N 0 0 319.361 0.733 50 0 DCAARN Cc1nn(-c2ccccc2)nc1C(=O)N1CCC(C(N)=O)CC1 ZINC000026535121 182445339 /nfs/dbraw/zinc/44/53/39/182445339.db2.gz IODRBDOQEROCIT-UHFFFAOYSA-N 0 0 313.361 0.913 50 0 DCAARN COc1ccc(CNS(=O)(=O)N2CCOCC2)c(OC)c1 ZINC000028295908 182519674 /nfs/dbraw/zinc/51/96/74/182519674.db2.gz HQYBKWJBJWUGSG-UHFFFAOYSA-N 0 0 316.379 0.370 50 0 DCAARN C[C@]1(NC(=O)c2n[nH]c(=O)c3ccccc32)CCS(=O)(=O)C1 ZINC000030031301 182583731 /nfs/dbraw/zinc/58/37/31/182583731.db2.gz YAXOUCQRXXMWCF-AWEZNQCLSA-N 0 0 321.358 0.230 50 0 DCAARN Cc1cccc2c(=O)n(CC(=O)N3CCO[C@@H](C)C3)cnc12 ZINC000029790152 182577357 /nfs/dbraw/zinc/57/73/57/182577357.db2.gz YHLRVUGXMQECOD-LBPRGKRZSA-N 0 0 301.346 0.952 50 0 DCAARN Cc1ccccc1NC(=O)CN1C(=O)C(=O)N(C2CC2)C1=O ZINC000032689089 182654697 /nfs/dbraw/zinc/65/46/97/182654697.db2.gz CMLSHSVTCIRMSN-UHFFFAOYSA-N 0 0 301.302 0.887 50 0 DCAARN Nc1nccnc1C(=O)OCC(=O)NCCc1ccc(F)cc1 ZINC000032738678 182657759 /nfs/dbraw/zinc/65/77/59/182657759.db2.gz ZVAQTCVTFLBJEH-UHFFFAOYSA-N 0 0 318.308 0.714 50 0 DCAARN Nc1nc(N)nc(COC(=O)c2ccc(C(F)(F)F)cn2)n1 ZINC000032903153 182676122 /nfs/dbraw/zinc/67/61/22/182676122.db2.gz FTWKXZKHQSZVNV-UHFFFAOYSA-N 0 0 314.227 0.807 50 0 DCAARN CCNC(=O)[C@@H](C)NC(=O)Cn1nc(C)c2ccccc2c1=O ZINC000033002659 182688121 /nfs/dbraw/zinc/68/81/21/182688121.db2.gz QVHRESBFFYICBQ-LLVKDONJSA-N 0 0 316.361 0.346 50 0 DCAARN CC(=O)N1CCN(CC(=O)NCCOc2cccc(C)c2)CC1 ZINC000036389820 182822495 /nfs/dbraw/zinc/82/24/95/182822495.db2.gz MNYSBSVFPDEJHV-UHFFFAOYSA-N 0 0 319.405 0.654 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000036708411 182836523 /nfs/dbraw/zinc/83/65/23/182836523.db2.gz RTQGGORGPGYZLN-UHFFFAOYSA-N 0 0 303.274 0.282 50 0 DCAARN CC1(C)O[C@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O)[C@H](O)[C@H]2O1 ZINC000039582346 183020848 /nfs/dbraw/zinc/02/08/48/183020848.db2.gz HEIRVZOWRJGLTR-NLRWUALESA-N 0 0 324.329 0.442 50 0 DCAARN O=C(CNC(=O)c1ccncc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000039558676 183020905 /nfs/dbraw/zinc/02/09/05/183020905.db2.gz YJCLKPPLQBMHOZ-UHFFFAOYSA-N 0 0 311.301 0.620 50 0 DCAARN Cc1nnnn1-c1cccc(NC(=O)C(=O)NC2CCCC2)c1 ZINC000040286567 183051349 /nfs/dbraw/zinc/05/13/49/183051349.db2.gz MKRZTLKSOLADDU-UHFFFAOYSA-N 0 0 314.349 0.968 50 0 DCAARN Cc1cc(NC(=O)Cc2noc(C(=O)NCC3CC3)n2)no1 ZINC000040287501 183052140 /nfs/dbraw/zinc/05/21/40/183052140.db2.gz IESOSYYOHCYFOZ-UHFFFAOYSA-N 0 0 305.294 0.687 50 0 DCAARN NC(=O)C1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 ZINC000040460938 183069624 /nfs/dbraw/zinc/06/96/24/183069624.db2.gz QNWCYJSEJPRDTO-CYBMUJFWSA-N 0 0 302.330 0.492 50 0 DCAARN COC[C@H](C)NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000040462891 183071221 /nfs/dbraw/zinc/07/12/21/183071221.db2.gz OEAZNIRSVJKQFT-JTQLQIEISA-N 0 0 305.334 0.231 50 0 DCAARN O=C(CCn1c(=O)oc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 ZINC000040468051 183073717 /nfs/dbraw/zinc/07/37/17/183073717.db2.gz DNCSLSUEJZLIAD-SNVBAGLBSA-N 0 0 324.358 0.288 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@H]1c1cccs1 ZINC000040477941 183075987 /nfs/dbraw/zinc/07/59/87/183075987.db2.gz OTFWPLHOSWUHNW-SNVBAGLBSA-N 0 0 305.359 0.962 50 0 DCAARN Cc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccccn1 ZINC000040508588 183086084 /nfs/dbraw/zinc/08/60/84/183086084.db2.gz MXBLRARWCWXKQI-LLVKDONJSA-N 0 0 320.374 0.493 50 0 DCAARN Cc1c(C(=O)NN2CC(=O)NC2=O)sc2nc(C)nc(C)c12 ZINC000040511925 183087198 /nfs/dbraw/zinc/08/71/98/183087198.db2.gz GAZKKEDIUGKKES-UHFFFAOYSA-N 0 0 319.346 0.813 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@@H](C)CN2CCOCC2)cc1 ZINC000040528161 183093341 /nfs/dbraw/zinc/09/33/41/183093341.db2.gz XWRNKIBVEPVARX-LBPRGKRZSA-N 0 0 314.407 0.694 50 0 DCAARN Cc1cc(C)n2nc(C(=O)N[C@@H]3CCCCNC3=O)nc2n1 ZINC000040540816 183097693 /nfs/dbraw/zinc/09/76/93/183097693.db2.gz WAALJBUEEUBVAC-SNVBAGLBSA-N 0 0 302.338 0.140 50 0 DCAARN COCCN(C(=O)Cn1nnn(-c2cccs2)c1=O)C1CC1 ZINC000040542436 183098737 /nfs/dbraw/zinc/09/87/37/183098737.db2.gz KWVGVFFBGPSGGI-UHFFFAOYSA-N 0 0 323.378 0.128 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)NCc2ccoc2)CC1 ZINC000040553496 183100452 /nfs/dbraw/zinc/10/04/52/183100452.db2.gz IWWAAIDFLQSVLL-UHFFFAOYSA-N 0 0 301.368 0.503 50 0 DCAARN Cn1cc(-c2nc(C(=O)NCCN3CCOCC3)cs2)cn1 ZINC000040553233 183100512 /nfs/dbraw/zinc/10/05/12/183100512.db2.gz VOCOVCQFROAACX-UHFFFAOYSA-N 0 0 321.406 0.606 50 0 DCAARN Cc1nnc(S(=O)(=O)CC(=O)N2CCc3ccccc32)n1C ZINC000040555230 183101466 /nfs/dbraw/zinc/10/14/66/183101466.db2.gz SZGKJAPCLKORBM-UHFFFAOYSA-N 0 0 320.374 0.487 50 0 DCAARN O=S(=O)(c1ccc(Cl)cc1Cl)N(CCO)CCO ZINC000041096496 183165311 /nfs/dbraw/zinc/16/53/11/183165311.db2.gz SPGVFXOHCLLEFB-UHFFFAOYSA-N 0 0 314.190 0.969 50 0 DCAARN CCOc1cc(C)c(C)cc1S(=O)(=O)N(CCO)CCO ZINC000041096538 183165647 /nfs/dbraw/zinc/16/56/47/183165647.db2.gz CHOBCEAUSHTWMP-UHFFFAOYSA-N 0 0 317.407 0.677 50 0 DCAARN CCn1nc(C)c2c1cnn2CC(=O)NCC(=O)N1CCCC1 ZINC000041124199 183168900 /nfs/dbraw/zinc/16/89/00/183168900.db2.gz JWBNMQMCBXTXGC-UHFFFAOYSA-N 0 0 318.381 0.300 50 0 DCAARN O=C(NC[C@@H]1CCOC1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000041938851 183225982 /nfs/dbraw/zinc/22/59/82/183225982.db2.gz UIYIBKMIYGATMU-UONOGXRCSA-N 0 0 301.350 0.610 50 0 DCAARN O=C(NC[C@@]1(N2CCOCC2)CCSC1)N1CCOCC1 ZINC000042309938 183253222 /nfs/dbraw/zinc/25/32/22/183253222.db2.gz VYPPSIZCWUCOMN-AWEZNQCLSA-N 0 0 315.439 0.236 50 0 DCAARN CN1CC[C@@H](C(=O)NCc2nncn2-c2ccccc2)CC1=O ZINC000042496739 183276944 /nfs/dbraw/zinc/27/69/44/183276944.db2.gz QASWLJPHJLSTIX-GFCCVEGCSA-N 0 0 313.361 0.752 50 0 DCAARN NC(=O)C1(CNC(=O)NCc2ccc(F)cc2)CCOCC1 ZINC000043026033 183331287 /nfs/dbraw/zinc/33/12/87/183331287.db2.gz VMDISUKAJAWHTK-UHFFFAOYSA-N 0 0 309.341 0.907 50 0 DCAARN Cn1ncc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1-n1cccc1 ZINC000043076052 183334449 /nfs/dbraw/zinc/33/44/49/183334449.db2.gz WAXDFFMRQLXUAL-SNVBAGLBSA-N 0 0 308.363 0.128 50 0 DCAARN Cc1ccc([C@@H](C)NC(=O)N2CCN(S(C)(=O)=O)CC2)o1 ZINC000043723240 183383369 /nfs/dbraw/zinc/38/33/69/183383369.db2.gz HVFVTAMQHFSVTO-LLVKDONJSA-N 0 0 315.395 0.936 50 0 DCAARN O=C(NCCc1nnc2ccccn21)N[C@@H]1CCCCNC1=O ZINC000043882132 183388584 /nfs/dbraw/zinc/38/85/84/183388584.db2.gz NFDVMLPZSZYPBR-LLVKDONJSA-N 0 0 316.365 0.240 50 0 DCAARN CNC(=O)CN1CCN(Cc2nc3cc(OC)ccc3[nH]2)CC1 ZINC000044213669 183398511 /nfs/dbraw/zinc/39/85/11/183398511.db2.gz LLWAQJPXYFIYMO-UHFFFAOYSA-N 0 0 317.393 0.435 50 0 DCAARN CCCn1c2ccccc2n(CC(=O)N(C)CC(N)=O)c1=O ZINC000046979083 183576447 /nfs/dbraw/zinc/57/64/47/183576447.db2.gz CKYTWJHTWIJRST-UHFFFAOYSA-N 0 0 304.350 0.157 50 0 DCAARN CC(C)CS(=O)(=O)CC(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000047959186 183611350 /nfs/dbraw/zinc/61/13/50/183611350.db2.gz KTTOZCBLAYIUDD-CYBMUJFWSA-N 0 0 312.391 0.400 50 0 DCAARN CN(CC(=O)N1CCN(c2nccs2)CC1)c1cnccn1 ZINC000048127116 183622409 /nfs/dbraw/zinc/62/24/09/183622409.db2.gz CKDXCAZNTVVMTP-UHFFFAOYSA-N 0 0 318.406 0.718 50 0 DCAARN C[C@@H](Cc1ccco1)NC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000048229906 183629461 /nfs/dbraw/zinc/62/94/61/183629461.db2.gz DCRKDMBNJDBILQ-CMPLNLGQSA-N 0 0 300.380 0.751 50 0 DCAARN O=C(c1n[nH]c2c1CCC2)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299762717 296300264 /nfs/dbraw/zinc/30/02/64/296300264.db2.gz YOQCKHWLCLZMSD-STQMWFEESA-N 0 0 314.349 0.476 50 0 DCAARN COC(=O)c1cccc(S(=O)(=O)NC(C)(C)CC(N)=O)c1 ZINC000273377194 210722942 /nfs/dbraw/zinc/72/29/42/210722942.db2.gz AELPXJGIUYRSTL-UHFFFAOYSA-N 0 0 314.363 0.406 50 0 DCAARN CN(CCCNC(=O)CNS(C)(=O)=O)c1ccccc1F ZINC000057047933 184025879 /nfs/dbraw/zinc/02/58/79/184025879.db2.gz FGOXANFODPEOKT-UHFFFAOYSA-N 0 0 317.386 0.317 50 0 DCAARN CC(C)c1cc(C(=O)NCCn2nc3ccccn3c2=O)[nH]n1 ZINC000057240716 184030683 /nfs/dbraw/zinc/03/06/83/184030683.db2.gz PYYRUCHIJBAMLH-UHFFFAOYSA-N 0 0 314.349 0.773 50 0 DCAARN O=C(NCCn1nc2ccccn2c1=O)c1cc(C2CC2)n[nH]1 ZINC000057240407 184030705 /nfs/dbraw/zinc/03/07/05/184030705.db2.gz DMFCROWOBHMEEL-UHFFFAOYSA-N 0 0 312.333 0.527 50 0 DCAARN Cc1ccc(NC(=O)NC(=O)CN2CCNC(=O)C2)c(C)c1 ZINC000057405655 184037745 /nfs/dbraw/zinc/03/77/45/184037745.db2.gz BEJKUFINGPBIDE-UHFFFAOYSA-N 0 0 304.350 0.383 50 0 DCAARN Cn1ccnc1[C@H](NC(=O)Cn1cnnn1)c1cccc(F)c1 ZINC000057852087 184057981 /nfs/dbraw/zinc/05/79/81/184057981.db2.gz YREWQIGFXPJYKZ-CYBMUJFWSA-N 0 0 315.312 0.452 50 0 DCAARN NS(=O)(=O)c1ccc(NC[C@H]2COc3ccccc3O2)nc1 ZINC000058060132 184072437 /nfs/dbraw/zinc/07/24/37/184072437.db2.gz IBPPRRJIKKQJPN-JTQLQIEISA-N 0 0 321.358 0.981 50 0 DCAARN O=C1COc2ccc(S(=O)(=O)NC[C@H]3CCOC3)cc2N1 ZINC000058176618 184085213 /nfs/dbraw/zinc/08/52/13/184085213.db2.gz UCWZCVOBNPCSTN-SECBINFHSA-N 0 0 312.347 0.332 50 0 DCAARN CNC(=O)c1ccc(=O)n(CC(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000058162123 184082512 /nfs/dbraw/zinc/08/25/12/184082512.db2.gz CZCGLYNSBWGHSK-AAEUAGOBSA-N 0 0 305.378 0.903 50 0 DCAARN C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)C(=O)N1CCOCC1 ZINC000058379882 184110607 /nfs/dbraw/zinc/11/06/07/184110607.db2.gz GDWFYOBYMCJJBN-SMDDNHRTSA-N 0 0 304.346 0.354 50 0 DCAARN O=C(Cn1c(=O)onc1-c1ncccn1)NC1CCCCC1 ZINC000058295159 184101818 /nfs/dbraw/zinc/10/18/18/184101818.db2.gz BFPUMTOXEBWXID-UHFFFAOYSA-N 0 0 303.322 0.742 50 0 DCAARN O=C(NCCNc1cnccn1)c1n[nH]c(=O)c2ccccc21 ZINC000058323226 184104885 /nfs/dbraw/zinc/10/48/85/184104885.db2.gz AWBCJFPYHBYJTD-UHFFFAOYSA-N 0 0 310.317 0.555 50 0 DCAARN C[C@H](CNC(=O)CN1CCc2sccc2C1)N1CCOCC1 ZINC000058796041 184129052 /nfs/dbraw/zinc/12/90/52/184129052.db2.gz IXWIWMWXIXZSFO-CYBMUJFWSA-N 0 0 323.462 0.943 50 0 DCAARN C[C@@]1(C(=O)NCCN2CCCS2(=O)=O)CC1(Cl)Cl ZINC000058394033 184112493 /nfs/dbraw/zinc/11/24/93/184112493.db2.gz YWYSDCRNVAAZBB-VIFPVBQESA-N 0 0 315.222 0.722 50 0 DCAARN Cn1cc(/C=C/C(=O)NCCCOCC2CC2)c(=O)n(C)c1=O ZINC000058424681 184116551 /nfs/dbraw/zinc/11/65/51/184116551.db2.gz MGIFHCRNQJVTKF-VOTSOKGWSA-N 0 0 321.377 0.030 50 0 DCAARN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000059390248 184138114 /nfs/dbraw/zinc/13/81/14/184138114.db2.gz HJVKRYRASCAUIE-LLVKDONJSA-N 0 0 300.355 0.565 50 0 DCAARN Cc1cc(C)n(-c2ccc(C(=O)N(C)C[C@H](O)CO)cc2)n1 ZINC000065374568 184331645 /nfs/dbraw/zinc/33/16/45/184331645.db2.gz XAWZQBPIZIWPHH-HNNXBMFYSA-N 0 0 303.362 0.914 50 0 DCAARN COC[C@@H](C)N(C)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000065433577 184343968 /nfs/dbraw/zinc/34/39/68/184343968.db2.gz SMSMRTUCARTXIQ-LLVKDONJSA-N 0 0 319.361 0.573 50 0 DCAARN O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)Nc1cn[nH]c1 ZINC000065433702 184343975 /nfs/dbraw/zinc/34/39/75/184343975.db2.gz NHKNIDGUKJZDOB-AAEUAGOBSA-N 0 0 309.370 0.269 50 0 DCAARN CCn1ncnc1CN1CCn2nc(C(=O)NC3CC3)cc2C1 ZINC000065435155 184344742 /nfs/dbraw/zinc/34/47/42/184344742.db2.gz AXGBHLHHIJUCQR-UHFFFAOYSA-N 0 0 315.381 0.403 50 0 DCAARN CC(C)CN1C[C@H](C(=O)NCCNc2cnccn2)CC1=O ZINC000065446726 184346009 /nfs/dbraw/zinc/34/60/09/184346009.db2.gz YDWYMXAZKZUYRR-GFCCVEGCSA-N 0 0 305.382 0.509 50 0 DCAARN CCOc1ncnc2c1CN(CCCN1C(=O)CNC1=O)CC2 ZINC000065457919 184348337 /nfs/dbraw/zinc/34/83/37/184348337.db2.gz WJMMHEDAJNJPKI-UHFFFAOYSA-N 0 0 319.365 0.175 50 0 DCAARN Cc1csc([C@H]2CN(CCCNS(C)(=O)=O)CCO2)n1 ZINC000065463059 184349430 /nfs/dbraw/zinc/34/94/30/184349430.db2.gz IAIIJSBHCBCNLD-LLVKDONJSA-N 0 0 319.452 0.764 50 0 DCAARN COc1cc(CNC(=O)[C@H](C)SC)ccc1OCC(N)=O ZINC000065479148 184352730 /nfs/dbraw/zinc/35/27/30/184352730.db2.gz DGEXZEDPMJLCFK-VIFPVBQESA-N 0 0 312.391 0.927 50 0 DCAARN Cc1nnc(SCC(=O)N2[C@@H]3CC[C@H]2CNC(=O)C3)s1 ZINC000065405613 184338594 /nfs/dbraw/zinc/33/85/94/184338594.db2.gz QRJDJRGSMODAAI-BDAKNGLRSA-N 0 0 312.420 0.818 50 0 DCAARN NC(=O)c1ccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)s1 ZINC000065552502 184365123 /nfs/dbraw/zinc/36/51/23/184365123.db2.gz BZVIKKGYAFQVBA-ZETCQYMHSA-N 0 0 302.377 0.012 50 0 DCAARN CC(=O)N[C@H](C(=O)NCCc1nnc2ccccn21)C(C)C ZINC000065590868 184369758 /nfs/dbraw/zinc/36/97/58/184369758.db2.gz HCWKKCVZXFDCLR-AWEZNQCLSA-N 0 0 303.366 0.549 50 0 DCAARN CC(=O)N[C@@H](C(=O)NCCc1nnc2ccccn21)C(C)C ZINC000065590870 184369835 /nfs/dbraw/zinc/36/98/35/184369835.db2.gz HCWKKCVZXFDCLR-CQSZACIVSA-N 0 0 303.366 0.549 50 0 DCAARN Cc1nn(-c2ccccn2)c2ncc(C(=O)N(C)CC(N)=O)cc12 ZINC000065515642 184357895 /nfs/dbraw/zinc/35/78/95/184357895.db2.gz YCUJINQPASELCA-UHFFFAOYSA-N 0 0 324.344 0.681 50 0 DCAARN Cc1nc(C(C)C)sc1C(=O)N1CCN(CC(N)=O)CC1 ZINC000065520123 184358403 /nfs/dbraw/zinc/35/84/03/184358403.db2.gz MEYZBABNERLQEZ-UHFFFAOYSA-N 0 0 310.423 0.818 50 0 DCAARN COC[C@@]1(C)NC(=O)N(CC(=O)N(C)c2ccccc2)C1=O ZINC000066084204 184388233 /nfs/dbraw/zinc/38/82/33/184388233.db2.gz PLCNTCPGCQTIAM-OAHLLOKOSA-N 0 0 305.334 0.606 50 0 DCAARN COC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(OC)cc2)C1=O ZINC000066084061 184388256 /nfs/dbraw/zinc/38/82/56/184388256.db2.gz WENNLTQJPOATQV-HNNXBMFYSA-N 0 0 321.333 0.591 50 0 DCAARN CCN(CC)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000065626661 184375957 /nfs/dbraw/zinc/37/59/57/184375957.db2.gz ATHAAFXACLZJJC-UHFFFAOYSA-N 0 0 320.436 0.637 50 0 DCAARN CCNC(=O)NC(=O)CN(C)CC(=O)Nc1cccc(C)n1 ZINC000069452535 184515898 /nfs/dbraw/zinc/51/58/98/184515898.db2.gz JJSTZMRWIIKGCF-UHFFFAOYSA-N 0 0 307.354 0.106 50 0 DCAARN COC(=O)[C@@H](CC(C)C)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000069537987 184524366 /nfs/dbraw/zinc/52/43/66/184524366.db2.gz CQRNRPWWDCWVMV-SECBINFHSA-N 0 0 313.354 0.021 50 0 DCAARN O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000020995358 256529108 /nfs/dbraw/zinc/52/91/08/256529108.db2.gz YKSNRXKTADVOSK-LLVKDONJSA-N 0 0 314.345 0.320 50 0 DCAARN Cn1cc([C@H](NC(=O)c2ccc(N)nc2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244673934 256605124 /nfs/dbraw/zinc/60/51/24/256605124.db2.gz HYJMSOLVZRGNMM-SCDSUCTJSA-N 0 0 301.350 0.639 50 0 DCAARN COC(=O)[C@H](C)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248459678 256608937 /nfs/dbraw/zinc/60/89/37/256608937.db2.gz VWRMVXOJBXCLBF-WCQYABFASA-N 0 0 318.439 0.874 50 0 DCAARN Cc1cc(C)n2c(nnc2SCC(=O)N2CCCC2=O)n1 ZINC000006172167 257233975 /nfs/dbraw/zinc/23/39/75/257233975.db2.gz YIPGGVNJSNMNTK-UHFFFAOYSA-N 0 0 305.363 0.982 50 0 DCAARN O=C(c1cc(NC2=CC(=O)NC2)ccc1Cl)N1CCNC1=O ZINC000524734295 257213248 /nfs/dbraw/zinc/21/32/48/257213248.db2.gz QWRZNUGXNVGSKB-UHFFFAOYSA-N 0 0 320.736 0.931 50 0 DCAARN Cc1cc(C)c(C(=O)NCCS(=O)(=O)N(C)C)c(=O)[nH]1 ZINC000362199183 257213264 /nfs/dbraw/zinc/21/32/64/257213264.db2.gz NRZPWEZRJMYFJR-UHFFFAOYSA-N 0 0 301.368 0.025 50 0 DCAARN COc1cc2c(cc1OC)CN(C(=O)CCn1cnnn1)CC2 ZINC000524732509 257214181 /nfs/dbraw/zinc/21/41/81/257214181.db2.gz KTIQEXHOHDLHPL-UHFFFAOYSA-N 0 0 317.349 0.665 50 0 DCAARN O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1cnccn1 ZINC000222587395 257274577 /nfs/dbraw/zinc/27/45/77/257274577.db2.gz FALDJTOYEDURSX-UHFFFAOYSA-N 0 0 303.366 0.887 50 0 DCAARN CSCC(=O)N[C@@H]1CCN(Cc2c(C)noc2C)C[C@H]1O ZINC000426701463 257244077 /nfs/dbraw/zinc/24/40/77/257244077.db2.gz QFRVUGALXRMFCQ-CHWSQXEVSA-N 0 0 313.423 0.706 50 0 DCAARN Cc1cc(C)cc(N2CCN(C(=O)Cn3ccnn3)CC2=O)c1 ZINC000426632957 257245295 /nfs/dbraw/zinc/24/52/95/257245295.db2.gz XGQBNGHOOMASIY-UHFFFAOYSA-N 0 0 313.361 0.770 50 0 DCAARN CCNC(=O)N1CCC(NC(=O)CCc2cnccn2)CC1 ZINC000426431382 257250062 /nfs/dbraw/zinc/25/00/62/257250062.db2.gz SEAWOHZZWZSUHC-UHFFFAOYSA-N 0 0 305.382 0.719 50 0 DCAARN Cc1c(C(=O)NCCc2cnn(C)c2)sc2[nH]cnc(=O)c12 ZINC000426433536 257250367 /nfs/dbraw/zinc/25/03/67/257250367.db2.gz DFCMLOZVCTYGEC-UHFFFAOYSA-N 0 0 317.374 0.999 50 0 DCAARN CC(C)OCCCNC(=O)c1cc2ncc(CCO)cn2n1 ZINC000426409219 257251120 /nfs/dbraw/zinc/25/11/20/257251120.db2.gz DTVQLKONEGAGTA-UHFFFAOYSA-N 0 0 306.366 0.809 50 0 DCAARN COc1cccc(CCNC(=O)N2CCC[C@H]2C(N)=O)c1OC ZINC000426405145 257251581 /nfs/dbraw/zinc/25/15/81/257251581.db2.gz MUSVMNOYJGZRGQ-LBPRGKRZSA-N 0 0 321.377 0.906 50 0 DCAARN O=C(Cn1nnc2ccccc21)NCc1nnc2ccccn21 ZINC000006851568 257267988 /nfs/dbraw/zinc/26/79/88/257267988.db2.gz HENCIZPXADFZBI-UHFFFAOYSA-N 0 0 307.317 0.790 50 0 DCAARN O=C([C@H]1C[C@@H]1c1ccco1)N1CCC2(CC1)NC(=O)NC2=O ZINC000071835220 184861889 /nfs/dbraw/zinc/86/18/89/184861889.db2.gz FCINGVJAAVYYHU-UWVGGRQHSA-N 0 0 303.318 0.584 50 0 DCAARN Cc1ccnc(NC(=O)CN(C)C(=O)c2ccc(=O)[nH]c2)c1 ZINC000069585004 184817734 /nfs/dbraw/zinc/81/77/34/184817734.db2.gz DFCLECFRGKFGJD-UHFFFAOYSA-N 0 0 300.318 0.789 50 0 DCAARN COC(=O)[C@@](C)(NC(=O)Cn1cncn1)c1cc(F)ccc1F ZINC000071795871 184843737 /nfs/dbraw/zinc/84/37/37/184843737.db2.gz JEOUNBFHWLQPJW-AWEZNQCLSA-N 0 0 324.287 0.761 50 0 DCAARN COc1ccc(C(=O)N2CC[NH+]([C@@H](C)C(=O)[O-])CC2)c(OC)c1 ZINC000261759723 533305165 /nfs/dbraw/zinc/30/51/65/533305165.db2.gz PTADFUYZLSBONU-NSHDSACASA-N 0 0 322.361 0.935 50 0 DCAARN CO[C@]12CCN(C(=O)c3cc(CO)ccn3)[C@H]1C[C@@H](O)CC2 ZINC000299766236 533383809 /nfs/dbraw/zinc/38/38/09/533383809.db2.gz HHLQBBXKGALBEW-DUVNUKRYSA-N 0 0 306.362 0.718 50 0 DCAARN CS(=O)(=O)NCCn1nc(-c2cnccn2)cc1C1CC1 ZINC000238966004 533403370 /nfs/dbraw/zinc/40/33/70/533403370.db2.gz YYPWLUQREAQAGG-UHFFFAOYSA-N 0 0 307.379 0.767 50 0 DCAARN Cc1c(-c2cc(CN3C[C@H](F)C[C@H]3C(N)=O)on2)cnn1C ZINC000284833798 131113998 /nfs/dbraw/zinc/11/39/98/131113998.db2.gz PDSNLNIWBUHIJQ-RNCFNFMXSA-N 0 0 307.329 0.781 50 0 DCAARN Cn1cnnc1SCc1nc(N)nc(N2CCCCC2)n1 ZINC000001424490 134444743 /nfs/dbraw/zinc/44/47/43/134444743.db2.gz YTHVYHDJCBHCKG-UHFFFAOYSA-N 0 0 306.399 0.865 50 0 DCAARN C[C@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)CN2)C[C@H](C)O1 ZINC000032633761 134681330 /nfs/dbraw/zinc/68/13/30/134681330.db2.gz GOCXRZUQAZGIFQ-RYUDHWBXSA-N 0 0 316.361 0.572 50 0 DCAARN CS(=O)(=O)NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000009037244 395685012 /nfs/dbraw/zinc/68/50/12/395685012.db2.gz PKVPHTIBSWWWKG-SECBINFHSA-N 0 0 312.347 0.317 50 0 DCAARN CC(C)N1c2ccccc2[C@@H](NC(=O)C(=O)NCCCO)C1=O ZINC000009184547 395685168 /nfs/dbraw/zinc/68/51/68/395685168.db2.gz ZACZATKYKJMGKT-CYBMUJFWSA-N 0 0 319.361 0.098 50 0 DCAARN Cn1nc(C(=O)NC[C@@H]2COc3ccccc3O2)ccc1=O ZINC000009452689 395685370 /nfs/dbraw/zinc/68/53/70/395685370.db2.gz LFQBBIRJLWSWMS-SNVBAGLBSA-N 0 0 301.302 0.350 50 0 DCAARN O=C(CNc1nc(Cl)nc2nc[nH]c21)NCCCCCO ZINC000009576878 395685479 /nfs/dbraw/zinc/68/54/79/395685479.db2.gz LLEFOHRKRTVPAJ-UHFFFAOYSA-N 0 0 312.761 0.697 50 0 DCAARN COCCCNC(=O)CN(C)c1nnnn1-c1ccccc1 ZINC000010044639 395685745 /nfs/dbraw/zinc/68/57/45/395685745.db2.gz LLUFAWNWGLNAIV-UHFFFAOYSA-N 0 0 304.354 0.251 50 0 DCAARN O=C(CN1CCNC(=O)C1)Nc1cccc(N2CCCC2=O)c1 ZINC000010225227 395685917 /nfs/dbraw/zinc/68/59/17/395685917.db2.gz LRVXVBLVBUTNNC-UHFFFAOYSA-N 0 0 316.361 0.184 50 0 DCAARN Cc1nn(C)c(C)c1CC(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000010269119 395686052 /nfs/dbraw/zinc/68/60/52/395686052.db2.gz KKQPKOLJFXFMFS-HNNXBMFYSA-N 0 0 300.362 0.922 50 0 DCAARN CCN(C(=O)CSc1nncs1)[C@@H]1CCS(=O)(=O)C1 ZINC000010416908 395686098 /nfs/dbraw/zinc/68/60/98/395686098.db2.gz RPMDKZWJXNRYMA-MRVPVSSYSA-N 0 0 321.449 0.666 50 0 DCAARN CN(CC(=O)N1CCNC(=O)C1)Cc1ccc(Cl)s1 ZINC000011286654 395686412 /nfs/dbraw/zinc/68/64/12/395686412.db2.gz ZJDPAKIMSWZXRC-UHFFFAOYSA-N 0 0 301.799 0.792 50 0 DCAARN Cn1c(=O)cc(COc2ccc(-c3nnco3)cc2)n(C)c1=O ZINC000011384928 395686416 /nfs/dbraw/zinc/68/64/16/395686416.db2.gz NNAHMRGFEHNFSC-UHFFFAOYSA-N 0 0 314.301 0.713 50 0 DCAARN CCS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2C)cc1 ZINC000011694214 395686863 /nfs/dbraw/zinc/68/68/63/395686863.db2.gz DMTPHLLJGLRAGB-JTQLQIEISA-N 0 0 310.375 0.441 50 0 DCAARN COCCNC(=O)CNC(=O)c1sc(-n2cccc2)nc1C ZINC000011865877 395687001 /nfs/dbraw/zinc/68/70/01/395687001.db2.gz KRHUUSDPNDUWHU-UHFFFAOYSA-N 0 0 322.390 0.735 50 0 DCAARN NC(=O)Cn1cc(OCc2ccccc2F)c(=O)cc1CO ZINC000012230910 395687198 /nfs/dbraw/zinc/68/71/98/395687198.db2.gz CBLQPWLOHDYHPR-UHFFFAOYSA-N 0 0 306.293 0.544 50 0 DCAARN CC1(C)C(=O)NCCN1C(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000012234766 395687248 /nfs/dbraw/zinc/68/72/48/395687248.db2.gz VVBSXVNPNBHMJH-UHFFFAOYSA-N 0 0 324.402 0.370 50 0 DCAARN Cc1nc(OC(C)C)cc(N2CCN(S(C)(=O)=O)CC2)n1 ZINC000012224884 395687276 /nfs/dbraw/zinc/68/72/76/395687276.db2.gz IIUWLDKSROPGDH-UHFFFAOYSA-N 0 0 314.411 0.654 50 0 DCAARN CCN(CC)c1nc(N)nc(N2N=NC(C(=O)OC)=CN2)n1 ZINC000012411802 395687551 /nfs/dbraw/zinc/68/75/51/395687551.db2.gz BVBMHJSQITXENE-UHFFFAOYSA-N 0 0 307.318 0.006 50 0 DCAARN COc1ccc(OC)c(COC[C@H](O)CN2CCOCC2)c1 ZINC000012420177 395687569 /nfs/dbraw/zinc/68/75/69/395687569.db2.gz CRVCKARFMVMAGK-CQSZACIVSA-N 0 0 311.378 0.914 50 0 DCAARN COC[C@@H](C)NC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000012422781 395687633 /nfs/dbraw/zinc/68/76/33/395687633.db2.gz BZTSWILIGATHHH-SSDOTTSWSA-N 0 0 311.363 0.063 50 0 DCAARN Cc1n[nH]cc1C(=O)NCc1cccnc1N1CCOCC1 ZINC000012446337 395687679 /nfs/dbraw/zinc/68/76/79/395687679.db2.gz YLDZBKIMDHZLIQ-UHFFFAOYSA-N 0 0 301.350 0.880 50 0 DCAARN Cc1ccn(CC(=O)N[C@H]2CCCN(c3ncccn3)C2)n1 ZINC000012570453 395687846 /nfs/dbraw/zinc/68/78/46/395687846.db2.gz ITWNJSVJYCDPSH-ZDUSSCGKSA-N 0 0 300.366 0.767 50 0 DCAARN C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(F)c(F)c1 ZINC000012808113 395687986 /nfs/dbraw/zinc/68/79/86/395687986.db2.gz TUUBVODFRSOCTI-MRVPVSSYSA-N 0 0 309.272 0.692 50 0 DCAARN Cn1c(N)c(C(=O)COc2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000012753006 395688009 /nfs/dbraw/zinc/68/80/09/395688009.db2.gz IRVMCWNJTVGREJ-UHFFFAOYSA-N 0 0 323.736 0.581 50 0 DCAARN COc1ccc(C)cc1CCNc1nn(C)c(=O)n(C)c1=O ZINC000012874010 395688111 /nfs/dbraw/zinc/68/81/11/395688111.db2.gz OOMRKIFAOOZSGX-UHFFFAOYSA-N 0 0 304.350 0.451 50 0 DCAARN O=C(CCn1cnc2sccc2c1=O)O[C@H]1CCOC1=O ZINC000012869966 395688119 /nfs/dbraw/zinc/68/81/19/395688119.db2.gz SOSJMSCQVSBUJR-VIFPVBQESA-N 0 0 308.315 0.707 50 0 DCAARN COCCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000013017444 395688258 /nfs/dbraw/zinc/68/82/58/395688258.db2.gz UMQKYIWUAJDUGV-LLVKDONJSA-N 0 0 320.345 0.573 50 0 DCAARN Cc1cc(C)cc(OCC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000012973494 395688336 /nfs/dbraw/zinc/68/83/36/395688336.db2.gz OPLPKQWFQDZDQG-OAHLLOKOSA-N 0 0 322.405 0.492 50 0 DCAARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccn1 ZINC000013569096 395688714 /nfs/dbraw/zinc/68/87/14/395688714.db2.gz GNZCTIFYQQBVMA-UHFFFAOYSA-N 0 0 310.313 0.401 50 0 DCAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@@H]1CCCO1 ZINC000014171773 395689342 /nfs/dbraw/zinc/68/93/42/395689342.db2.gz TXJCYEIIJFAOEZ-RWMBFGLXSA-N 0 0 308.378 0.847 50 0 DCAARN O=c1c2ccc(Cl)cc2ncn1[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000014198552 395689354 /nfs/dbraw/zinc/68/93/54/395689354.db2.gz ASKKPIVUTWOFDT-QWRGUYRKSA-N 0 0 314.750 0.380 50 0 DCAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1F)N1CCCO1 ZINC000014977355 395689805 /nfs/dbraw/zinc/68/98/05/395689805.db2.gz TVMUIZMDNWABDI-AWEZNQCLSA-N 0 0 321.352 0.680 50 0 DCAARN Cn1nnnc1SCC(=O)N1CCN(c2ccccn2)CC1 ZINC000019141851 395691030 /nfs/dbraw/zinc/69/10/30/395691030.db2.gz MBSNESZTZKQZQE-UHFFFAOYSA-N 0 0 319.394 0.046 50 0 DCAARN O=C(NCCN1CCOCC1)[C@@H]1CCCN(c2ncccn2)C1 ZINC000020649916 395691315 /nfs/dbraw/zinc/69/13/15/395691315.db2.gz XZHUGRFPURPHFT-CQSZACIVSA-N 0 0 319.409 0.141 50 0 DCAARN Cn1ncc2c1ncnc2N1CCN(C(=O)c2ccoc2)CC1 ZINC000023463131 395692410 /nfs/dbraw/zinc/69/24/10/395692410.db2.gz CWYBIRVQLFDDJR-UHFFFAOYSA-N 0 0 312.333 0.919 50 0 DCAARN COc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=CNN32)cc1OC ZINC000000071342 395679622 /nfs/dbraw/zinc/67/96/22/395679622.db2.gz WPQJIIWUXNZJLN-CYBMUJFWSA-N 0 0 315.333 0.722 50 0 DCAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)N1CCOCC1 ZINC000000054893 395679628 /nfs/dbraw/zinc/67/96/28/395679628.db2.gz ZJUGARZWGIPQPY-UHFFFAOYSA-N 0 0 301.339 0.848 50 0 DCAARN C[C@@H](Sc1nnnn1C)C(=O)NC(=O)NCC(F)(F)F ZINC000025401097 395693514 /nfs/dbraw/zinc/69/35/14/395693514.db2.gz OLFKFQRSLAOZAX-SCSAIBSYSA-N 0 0 312.277 0.079 50 0 DCAARN NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000000192379 395679893 /nfs/dbraw/zinc/67/98/93/395679893.db2.gz IDDAJTVIBRGZRB-UHFFFAOYSA-N 0 0 304.755 0.460 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccccc3OC)C(=O)[C@]2(C)NN1 ZINC000000174484 395679894 /nfs/dbraw/zinc/67/98/94/395679894.db2.gz KTUDKOHEPGQTPA-MEBBXXQBSA-N 0 0 317.301 0.076 50 0 DCAARN CCOC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)C1=O ZINC000000163633 395679956 /nfs/dbraw/zinc/67/99/56/395679956.db2.gz KVDMYXVTDGUXKS-LBPRGKRZSA-N 0 0 311.359 0.928 50 0 DCAARN CC(C)(C)NC(=O)COc1ccc(CNn2nnnc2N)cc1 ZINC000000359914 395680282 /nfs/dbraw/zinc/68/02/82/395680282.db2.gz WLVGQXFRJBBXBO-UHFFFAOYSA-N 0 0 319.369 0.293 50 0 DCAARN CN(c1ccc(C(=O)NC[C@@H]2CCCO2)cc1)S(C)(=O)=O ZINC000000479702 395680395 /nfs/dbraw/zinc/68/03/95/395680395.db2.gz BXPYEQXPMAAHGH-ZDUSSCGKSA-N 0 0 312.391 0.991 50 0 DCAARN Cn1c2nc(Nc3ccccc3)n(CCO)c2c(=O)[nH]c1=O ZINC000000534236 395680556 /nfs/dbraw/zinc/68/05/56/395680556.db2.gz HVDDNOITCINMEX-UHFFFAOYSA-N 0 0 301.306 0.159 50 0 DCAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cccnc1 ZINC000000531039 395680566 /nfs/dbraw/zinc/68/05/66/395680566.db2.gz YURVGKFOOKWUIH-UHFFFAOYSA-N 0 0 317.326 0.865 50 0 DCAARN Cn1nnnc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000000795857 395680645 /nfs/dbraw/zinc/68/06/45/395680645.db2.gz CQAUWNPWMYASNA-UHFFFAOYSA-N 0 0 307.335 0.347 50 0 DCAARN Cc1ccccc1-n1nnnc1SCC(=O)N1CCOCC1 ZINC000001078943 395680687 /nfs/dbraw/zinc/68/06/87/395680687.db2.gz SWKVEHDXKMZHRA-UHFFFAOYSA-N 0 0 319.390 0.922 50 0 DCAARN CN(C)S(=O)(=O)N(CC(=O)N1CCCC1)c1ccccc1 ZINC000001111267 395680707 /nfs/dbraw/zinc/68/07/07/395680707.db2.gz NCSXQMUXMSTYCS-UHFFFAOYSA-N 0 0 311.407 0.922 50 0 DCAARN Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1C[C@@H]1CCCO1 ZINC000002352256 395681361 /nfs/dbraw/zinc/68/13/61/395681361.db2.gz VVXFICIRCAZKBJ-VIFPVBQESA-N 0 0 303.322 0.163 50 0 DCAARN CN1C(=O)N[C@](NC(=O)c2ccc(F)cc2)(C(F)(F)F)C1=O ZINC000002373894 395681592 /nfs/dbraw/zinc/68/15/92/395681592.db2.gz QJBIZEKKJUWETQ-NSHDSACASA-N 0 0 319.214 0.996 50 0 DCAARN COC[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000002633003 395681721 /nfs/dbraw/zinc/68/17/21/395681721.db2.gz FBRNDHBHTANQBV-VIFPVBQESA-N 0 0 320.798 0.769 50 0 DCAARN COc1ccc(CNC(=O)COC(=O)C2=COCCO2)cc1 ZINC000002632257 395681730 /nfs/dbraw/zinc/68/17/30/395681730.db2.gz NVIQGRXPESDGLY-UHFFFAOYSA-N 0 0 307.302 0.743 50 0 DCAARN COc1cc(OC)cc(C(=O)Nc2cnn(C)c2C(N)=O)c1 ZINC000002799702 395681930 /nfs/dbraw/zinc/68/19/30/395681930.db2.gz YEQBRQCFWVRRIZ-UHFFFAOYSA-N 0 0 304.306 0.789 50 0 DCAARN Cc1cc(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)nn1C ZINC000002800670 395681973 /nfs/dbraw/zinc/68/19/73/395681973.db2.gz ZOHVLVHYKDBWKM-LLVKDONJSA-N 0 0 314.411 0.016 50 0 DCAARN CC(C)OCCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000002944218 395682070 /nfs/dbraw/zinc/68/20/70/395682070.db2.gz BQAMYCAHCGZINF-LBPRGKRZSA-N 0 0 306.428 0.589 50 0 DCAARN CCS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000002943628 395682178 /nfs/dbraw/zinc/68/21/78/395682178.db2.gz ZTAIOMSUGXJQJB-LBPRGKRZSA-N 0 0 304.412 0.343 50 0 DCAARN COCCCNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O ZINC000002952122 395682185 /nfs/dbraw/zinc/68/21/85/395682185.db2.gz QZJBDIYKICICSG-UHFFFAOYSA-N 0 0 305.334 0.233 50 0 DCAARN c1ncn(Cc2n[nH]c(COc3ncn(-c4ccccc4)n3)n2)n1 ZINC000003125221 395682287 /nfs/dbraw/zinc/68/22/87/395682287.db2.gz ASQAJQLVQDLKAX-UHFFFAOYSA-N 0 0 323.320 0.604 50 0 DCAARN CCOC(=O)[C@H]1CCCN(C(=O)CSc2nnnn2C)C1 ZINC000003241888 395682368 /nfs/dbraw/zinc/68/23/68/395682368.db2.gz SKSRDZGMVCJFSO-VIFPVBQESA-N 0 0 313.383 0.104 50 0 DCAARN CCN(Cc1ccccc1)C(=O)COC(=O)[C@H]1CCC(=O)N1 ZINC000003272859 395682414 /nfs/dbraw/zinc/68/24/14/395682414.db2.gz UOJAHHZTHOANCQ-CYBMUJFWSA-N 0 0 304.346 0.857 50 0 DCAARN Cc1ccc(NC(=O)C[C@H]([NH2+]CCOCCO)C(=O)[O-])cc1 ZINC000004939473 395682637 /nfs/dbraw/zinc/68/26/37/395682637.db2.gz QPOVWBJDBHYZTQ-ZDUSSCGKSA-N 0 0 310.350 0.375 50 0 DCAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc[nH]c1=O ZINC000008132423 395684074 /nfs/dbraw/zinc/68/40/74/395684074.db2.gz RGINLJKLXROPOL-UHFFFAOYSA-N 0 0 310.313 0.884 50 0 DCAARN CCCn1c(N)c(C(=O)CN(CC)C2CC2)c(=O)n(C)c1=O ZINC000029912627 395700371 /nfs/dbraw/zinc/70/03/71/395700371.db2.gz FJMAWRSYQOIEJI-UHFFFAOYSA-N 0 0 308.382 0.206 50 0 DCAARN COCC(=O)NC[C@H](Cc1cccc(F)c1)N1CCNC1=O ZINC000085467646 395700814 /nfs/dbraw/zinc/70/08/14/395700814.db2.gz GEGOTKJZYNRSQN-ZDUSSCGKSA-N 0 0 309.341 0.525 50 0 DCAARN Cc1cc(C)n2ncc(C(=O)NC[C@@H](C)N3CCOCC3)c2n1 ZINC000029963628 395701333 /nfs/dbraw/zinc/70/13/33/395701333.db2.gz FXAUCJOCAYQJMP-CYBMUJFWSA-N 0 0 317.393 0.797 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)NCCCn2cccn2)o1 ZINC000030644235 395703617 /nfs/dbraw/zinc/70/36/17/395703617.db2.gz SBBOYNDCISTGSV-UHFFFAOYSA-N 0 0 312.351 0.204 50 0 DCAARN C[C@@H](CNC(=O)NCc1ccc2c(c1)OCO2)N1CCOCC1 ZINC000031052551 395705233 /nfs/dbraw/zinc/70/52/33/395705233.db2.gz SZGLGCOZSBQAOO-LBPRGKRZSA-N 0 0 321.377 0.935 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)c1cc(=O)c2ccccc2o1 ZINC000031217053 395705661 /nfs/dbraw/zinc/70/56/61/395705661.db2.gz DDZQDZSFGZKLPG-UHFFFAOYSA-N 0 0 324.358 0.462 50 0 DCAARN CN1C2=C(C(=O)N(CCO)C2)[C@@H](c2ccc(F)cc2)NC1=O ZINC000036678935 395723879 /nfs/dbraw/zinc/72/38/79/395723879.db2.gz NLPJKXMFYKOCRF-CYBMUJFWSA-N 0 0 305.309 0.610 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)nc2)o1 ZINC000031483761 395706632 /nfs/dbraw/zinc/70/66/32/395706632.db2.gz SGPNTZHAACHQDT-UHFFFAOYSA-N 0 0 311.319 0.844 50 0 DCAARN CCN(CC)S(=O)(=O)c1cccnc1N1CCN(C)CC1 ZINC000031598018 395707214 /nfs/dbraw/zinc/70/72/14/395707214.db2.gz HRVCPSAASJWJRP-UHFFFAOYSA-N 0 0 312.439 0.864 50 0 DCAARN CN(C[C@@H]1CN(CCn2cccn2)CCO1)c1cccnn1 ZINC000089340295 395709779 /nfs/dbraw/zinc/70/97/79/395709779.db2.gz DCXSISBECPPKQS-CQSZACIVSA-N 0 0 302.382 0.510 50 0 DCAARN CC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2F)CC1 ZINC000032401365 395710631 /nfs/dbraw/zinc/71/06/31/395710631.db2.gz AUQNMRMAFNVRDS-UHFFFAOYSA-N 0 0 300.355 0.987 50 0 DCAARN CC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccn(C)c2)CC1 ZINC000032753560 395712696 /nfs/dbraw/zinc/71/26/96/395712696.db2.gz XEKQMAWOABBWJL-LBPRGKRZSA-N 0 0 313.423 0.904 50 0 DCAARN COc1ccc(CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1F ZINC000032784471 395713297 /nfs/dbraw/zinc/71/32/97/395713297.db2.gz FJEQMSZGODANAP-JTQLQIEISA-N 0 0 301.339 0.680 50 0 DCAARN O=C([C@@H]1COCCO1)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000032821444 395713604 /nfs/dbraw/zinc/71/36/04/395713604.db2.gz VSLLSAMKUSPEKF-NEPJUHHUSA-N 0 0 302.334 0.808 50 0 DCAARN O=C([C@H]1COCCO1)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000032821445 395713721 /nfs/dbraw/zinc/71/37/21/395713721.db2.gz VSLLSAMKUSPEKF-VXGBXAGGSA-N 0 0 302.334 0.808 50 0 DCAARN Cc1cc(=O)n2nc(NCCNc3cnccn3)sc2n1 ZINC000032827756 395713889 /nfs/dbraw/zinc/71/38/89/395713889.db2.gz RPNYGEQKMRAAKW-UHFFFAOYSA-N 0 0 303.351 0.773 50 0 DCAARN O=C(NCc1cc[nH]n1)N1CCN(Cc2ccncc2)CC1 ZINC000089765080 395714915 /nfs/dbraw/zinc/71/49/15/395714915.db2.gz OJQHNFAVVFAIMJ-UHFFFAOYSA-N 0 0 300.366 0.832 50 0 DCAARN COC(=O)CCNC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000032989291 395715165 /nfs/dbraw/zinc/71/51/65/395715165.db2.gz RVYRQGSWGWWNDB-UHFFFAOYSA-N 0 0 303.318 0.155 50 0 DCAARN O=S(=O)(c1cccc2nonc21)N1CCN(CC2CC2)CC1 ZINC000089800250 395715370 /nfs/dbraw/zinc/71/53/70/395715370.db2.gz OLDQGYPFZBQKTN-UHFFFAOYSA-N 0 0 322.390 0.939 50 0 DCAARN C[C@@H](CNC(=O)NCc1nnc2ccccn21)N1CCOCC1 ZINC000089901136 395716375 /nfs/dbraw/zinc/71/63/75/395716375.db2.gz ZEEHOVCHSGMWTF-LBPRGKRZSA-N 0 0 318.381 0.249 50 0 DCAARN CCn1nc(C)c2ccn(CC(=O)N3CCOCC3)c(=O)c21 ZINC000033171570 395716626 /nfs/dbraw/zinc/71/66/26/395716626.db2.gz UHRBZHFBWFWLSN-UHFFFAOYSA-N 0 0 304.350 0.385 50 0 DCAARN CNC(=O)c1cccc(S(=O)(=O)NCc2cccnc2)c1 ZINC000033359662 395716936 /nfs/dbraw/zinc/71/69/36/395716936.db2.gz YYXUDVYZGICLFN-UHFFFAOYSA-N 0 0 305.359 0.920 50 0 DCAARN C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000089937841 395717031 /nfs/dbraw/zinc/71/70/31/395717031.db2.gz ZQRCBRVDZDVERT-CHWSQXEVSA-N 0 0 305.378 0.791 50 0 DCAARN Cc1ccccc1Cn1ccc(=O)n(CC(=O)NC2CC2)c1=O ZINC000033330990 395717239 /nfs/dbraw/zinc/71/72/39/395717239.db2.gz MIMFWGKADCSIAO-UHFFFAOYSA-N 0 0 313.357 0.645 50 0 DCAARN COC(=O)c1sccc1N(S(C)(=O)=O)S(C)(=O)=O ZINC000034424101 395718305 /nfs/dbraw/zinc/71/83/05/395718305.db2.gz QFHYFRBXBMBHHW-UHFFFAOYSA-N 0 0 313.378 0.260 50 0 DCAARN O=C(c1cc(Br)c[nH]1)N1CCN(CCO)CC1 ZINC000035187911 395719926 /nfs/dbraw/zinc/71/99/26/395719926.db2.gz ARXMBAQLTQYEQD-UHFFFAOYSA-N 0 0 302.172 0.527 50 0 DCAARN COCCNC(=O)Cn1nc(-c2ccc(OC)cc2)ccc1=O ZINC000035315670 395720168 /nfs/dbraw/zinc/72/01/68/395720168.db2.gz ADJSIJIHDGHMQS-UHFFFAOYSA-N 0 0 317.345 0.682 50 0 DCAARN O=S(=O)(N1CCCCC1)N1CCN(c2ccccn2)CC1 ZINC000036051250 395722021 /nfs/dbraw/zinc/72/20/21/395722021.db2.gz KAWJCMBWMHFPDE-UHFFFAOYSA-N 0 0 310.423 0.934 50 0 DCAARN C[C@@H](C(N)=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000036338966 395723389 /nfs/dbraw/zinc/72/33/89/395723389.db2.gz PVBHCMVDGWZJSV-JTQLQIEISA-N 0 0 315.370 0.006 50 0 DCAARN O=C(CN1CCCc2cc(F)c(F)cc21)N1CCNC(=O)C1 ZINC000026343806 395694285 /nfs/dbraw/zinc/69/42/85/395694285.db2.gz OLWBYTGRRNXWLN-UHFFFAOYSA-N 0 0 309.316 0.676 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC000029193772 395697061 /nfs/dbraw/zinc/69/70/61/395697061.db2.gz YDJXUVMAYNBHSS-NSHDSACASA-N 0 0 300.380 0.752 50 0 DCAARN O=C1CCCN1CCCN1CCO[C@@H](CNc2cccnn2)C1 ZINC000084429224 395697147 /nfs/dbraw/zinc/69/71/47/395697147.db2.gz YFSLPNLKDKKUNO-AWEZNQCLSA-N 0 0 319.409 0.602 50 0 DCAARN CN(C[C@H]1CN(Cc2nccn2C)CCO1)c1cccnn1 ZINC000084331628 395697357 /nfs/dbraw/zinc/69/73/57/395697357.db2.gz IMSRAHUILZEXJB-ZDUSSCGKSA-N 0 0 302.382 0.547 50 0 DCAARN CC[C@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@H]1N1CCOCC1 ZINC000084735662 395698788 /nfs/dbraw/zinc/69/87/88/395698788.db2.gz BFKWUGSFDXXAGZ-QWHCGFSZSA-N 0 0 309.410 0.082 50 0 DCAARN Cc1noc(C)c1CCCNC(=O)CN1C(=O)CN(C)C1=O ZINC000084804398 395699594 /nfs/dbraw/zinc/69/95/94/395699594.db2.gz CAJWAAIAYLSCML-UHFFFAOYSA-N 0 0 308.338 0.234 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)c2ccccc2F)CC1 ZINC000037982247 395729825 /nfs/dbraw/zinc/72/98/25/395729825.db2.gz WNLNCMWHZVKCRZ-UHFFFAOYSA-N 0 0 300.355 0.980 50 0 DCAARN O=C(NCCN1CCCOC1=O)Nc1cccn2cnnc12 ZINC000096166047 395746646 /nfs/dbraw/zinc/74/66/46/395746646.db2.gz VJIXLBHPHGBQHS-UHFFFAOYSA-N 0 0 304.310 0.693 50 0 DCAARN COc1c(Br)c(C(=O)N2CCN(C)CC2)nn1C ZINC000096181045 395746660 /nfs/dbraw/zinc/74/66/60/395746660.db2.gz OIZUSIRJWRZFKV-UHFFFAOYSA-N 0 0 317.187 0.579 50 0 DCAARN Cc1nc(C(=O)N2CCOCC2)cc(N2CCSCC2)n1 ZINC000096182743 395747148 /nfs/dbraw/zinc/74/71/48/395747148.db2.gz SZLJBFDTCPUUCN-UHFFFAOYSA-N 0 0 308.407 0.811 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@@]1(C)CC(c2cccc(F)c2)=NO1 ZINC000096192948 395748456 /nfs/dbraw/zinc/74/84/56/395748456.db2.gz BKCQZWGUVGCWBK-OAHLLOKOSA-N 0 0 307.325 0.913 50 0 DCAARN Cn1cnc2cc(NC(=O)NCCN3CCNC3=O)ccc21 ZINC000096151362 395745942 /nfs/dbraw/zinc/74/59/42/395745942.db2.gz VYACWSQDBAMTTI-UHFFFAOYSA-N 0 0 302.338 0.720 50 0 DCAARN C[C@@]1(O)CCN(C(=O)c2ccccc2N2CCOCC2)C[C@@H]1O ZINC000096139648 395746171 /nfs/dbraw/zinc/74/61/71/395746171.db2.gz GNSOWLPYJOBLSP-DOTOQJQBSA-N 0 0 320.389 0.481 50 0 DCAARN C[C@@H]1COC[C@@H](C)N1C(=O)CCn1nc2ccccn2c1=O ZINC000096419093 395753459 /nfs/dbraw/zinc/75/34/59/395753459.db2.gz YKOXBFYOIZOSGK-VXGBXAGGSA-N 0 0 304.350 0.522 50 0 DCAARN Cc1nnc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)n1C ZINC000096466067 395754003 /nfs/dbraw/zinc/75/40/03/395754003.db2.gz WEWREGYRCBGRQG-UHFFFAOYSA-N 0 0 322.332 0.462 50 0 DCAARN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NCCCO ZINC000097367477 395757137 /nfs/dbraw/zinc/75/71/37/395757137.db2.gz ZYTLMFQWBWBLQB-CYBMUJFWSA-N 0 0 307.329 0.403 50 0 DCAARN Cc1cc(C(=O)N2CCN(Cc3nnc(C4CC4)[nH]3)CC2)on1 ZINC000097373544 395757730 /nfs/dbraw/zinc/75/77/30/395757730.db2.gz ZZTINJJNKRABRZ-UHFFFAOYSA-N 0 0 316.365 0.937 50 0 DCAARN CCn1cnnc1CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000047021197 395786065 /nfs/dbraw/zinc/78/60/65/395786065.db2.gz LOEMSYVJISCOAH-LBPRGKRZSA-N 0 0 300.318 0.696 50 0 DCAARN CC(C)Cc1noc([C@@H](C)NC(=O)Cn2cccnc2=O)n1 ZINC000097578664 395759413 /nfs/dbraw/zinc/75/94/13/395759413.db2.gz ROIKOZBNSMWJAN-SNVBAGLBSA-N 0 0 305.338 0.702 50 0 DCAARN O=C(CCN1CCCCC1=O)N[C@@H](CO)[C@@H](O)c1ccccc1 ZINC000097654233 395759677 /nfs/dbraw/zinc/75/96/77/395759677.db2.gz NGZDKTZWWSFVKP-YOEHRIQHSA-N 0 0 320.389 0.600 50 0 DCAARN O=S(=O)(N1CCOCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000044896148 395759864 /nfs/dbraw/zinc/75/98/64/395759864.db2.gz YZAVXPRMMZUIHE-VIFPVBQESA-N 0 0 302.318 0.838 50 0 DCAARN C[C@H]1NC(C(=O)NC[C@H]2CCCO2)=NN(c2ccccc2)C1=O ZINC000044911191 395760046 /nfs/dbraw/zinc/76/00/46/395760046.db2.gz RHWUTMLTLBCVMS-DGCLKSJQSA-N 0 0 316.361 0.620 50 0 DCAARN CCOc1ncccc1CNC(=O)[C@H]1CCC(=O)NC(=O)N1 ZINC000097759344 395760344 /nfs/dbraw/zinc/76/03/44/395760344.db2.gz IEPZBPOVQZZRFV-SNVBAGLBSA-N 0 0 306.322 0.085 50 0 DCAARN CCN(CC)c1ccc(CNC(=O)C[C@@H]2NC(=O)NC2=O)cn1 ZINC000097756297 395760441 /nfs/dbraw/zinc/76/04/41/395760441.db2.gz ZUNVCBYIPOTOJO-NSHDSACASA-N 0 0 319.365 0.142 50 0 DCAARN O=C(CN1CCN(C(=O)NC(C2CC2)C2CC2)CC1)NC1CC1 ZINC000045438615 395763095 /nfs/dbraw/zinc/76/30/95/395763095.db2.gz AVWLGVLDKFCOPE-UHFFFAOYSA-N 0 0 320.437 0.781 50 0 DCAARN CN(C)N1C(=O)C[C@H](SCC(=O)Nc2ccccc2)C1=O ZINC000100328254 395763178 /nfs/dbraw/zinc/76/31/78/395763178.db2.gz ULQJWULGWFIDSY-NSHDSACASA-N 0 0 307.375 0.962 50 0 DCAARN CCOc1ccc(N2C(=O)C[C@H](N[C@@H](C)C(=O)OC)C2=O)cc1 ZINC000100748146 395763693 /nfs/dbraw/zinc/76/36/93/395763693.db2.gz QVJPQDCDNXREIF-GWCFXTLKSA-N 0 0 320.345 0.868 50 0 biogenic DCAARN C[C@@H]1CCCCN1S(=O)(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000045799252 395766493 /nfs/dbraw/zinc/76/64/93/395766493.db2.gz SNUKNPQDMMFTGL-YPMHNXCESA-N 0 0 311.407 0.922 50 0 DCAARN O=c1c(=O)c(N2CCN(Cc3ccccc3)CC2)c1NCCO ZINC000101701936 395767373 /nfs/dbraw/zinc/76/73/73/395767373.db2.gz FDDPFIICIPHMDO-UHFFFAOYSA-N 0 0 315.373 0.009 50 0 DCAARN CCOC(=O)N1C[C@@H]2[C@@H](CN3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC000102418106 395770273 /nfs/dbraw/zinc/77/02/73/395770273.db2.gz TUJKNDZSHUZWFT-CNDDSTCGSA-N 0 0 302.396 0.051 50 0 DCAARN COc1ccccc1N1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC000048073553 395807046 /nfs/dbraw/zinc/80/70/46/395807046.db2.gz LVJCQHBGQKQACV-OAHLLOKOSA-N 0 0 306.362 0.759 50 0 DCAARN CC(=O)N1CCc2cc(S(=O)(=O)NC[C@H]3CCOC3)ccc21 ZINC000048261938 395811565 /nfs/dbraw/zinc/81/15/65/395811565.db2.gz PSMVKHDIFUWSEW-GFCCVEGCSA-N 0 0 324.402 0.910 50 0 DCAARN CC(=O)NCCNC(=O)NC[C@H](C)N1CCc2sccc2C1 ZINC000048235396 395811579 /nfs/dbraw/zinc/81/15/79/395811579.db2.gz FYKGOEADKBQXLT-NSHDSACASA-N 0 0 324.450 0.930 50 0 DCAARN NC(=O)CN1CCC(Nc2nccc(C(F)(F)F)n2)CC1 ZINC000048249521 395811619 /nfs/dbraw/zinc/81/16/19/395811619.db2.gz RHKBMNPKRALCKU-UHFFFAOYSA-N 0 0 303.288 0.857 50 0 DCAARN O=S(=O)(N1CCCCC1)N1CCN(Cc2cccnc2)CC1 ZINC000048277605 395812255 /nfs/dbraw/zinc/81/22/55/395812255.db2.gz QGSNCXXUZPBUHM-UHFFFAOYSA-N 0 0 324.450 0.930 50 0 DCAARN Cc1cc(CN2CCN(C(=O)[C@H](C)S(C)(=O)=O)CC2)on1 ZINC000048342074 395813846 /nfs/dbraw/zinc/81/38/46/395813846.db2.gz BSAIHDUNPDNPKF-NSHDSACASA-N 0 0 315.395 0.060 50 0 DCAARN C[C@@H](O)c1cn(C2CCN(c3ncnc4nc[nH]c43)CC2)nn1 ZINC000048482782 395816393 /nfs/dbraw/zinc/81/63/93/395816393.db2.gz NGMTUVZKBBRCOV-SECBINFHSA-N 0 0 314.353 0.839 50 0 DCAARN OCCN1CCN(Cc2csc(-c3ncccn3)n2)CC1 ZINC000048685191 395822449 /nfs/dbraw/zinc/82/24/49/395822449.db2.gz VEOLHWCMBOPXQK-UHFFFAOYSA-N 0 0 305.407 0.710 50 0 DCAARN Cc1cc(S(=O)(=O)N2CCN(CC(N)=O)CC2)c(C)s1 ZINC000049334872 395831182 /nfs/dbraw/zinc/83/11/82/395831182.db2.gz UKPGGGDRQPVYAF-UHFFFAOYSA-N 0 0 317.436 0.157 50 0 DCAARN COC(=O)CNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000049550436 395832669 /nfs/dbraw/zinc/83/26/69/395832669.db2.gz YXWRXTYZGTZWRQ-UHFFFAOYSA-N 0 0 319.292 0.339 50 0 DCAARN Cc1cc2nc(CNC(=O)CNC(=O)N(C)C)cn2c(C)c1 ZINC000214951967 395836561 /nfs/dbraw/zinc/83/65/61/395836561.db2.gz VJTMJENTNWEDJV-UHFFFAOYSA-N 0 0 303.366 0.839 50 0 DCAARN CCCS(=O)(=O)N1CC[C@H](Oc2ccc(N(C)C)nn2)C1 ZINC000225449907 395860523 /nfs/dbraw/zinc/86/05/23/395860523.db2.gz WFIZDYYHRJCWOK-NSHDSACASA-N 0 0 314.411 0.736 50 0 DCAARN NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)NCC1CCCCC1 ZINC000218961398 395844023 /nfs/dbraw/zinc/84/40/23/395844023.db2.gz QITWSUGTQXTKEO-OLZOCXBDSA-N 0 0 313.398 0.525 50 0 DCAARN Cc1n[nH]c(C)c1[C@H](N)C(=O)NCCc1nncn1C(C)C ZINC000219323586 395845557 /nfs/dbraw/zinc/84/55/57/395845557.db2.gz LXDKZUZGNLENIH-ZDUSSCGKSA-N 0 0 305.386 0.558 50 0 DCAARN COC[C@@H]1[C@@H](NC(=O)CCC2=NNC(=O)CC2)[C@@H]2CCO[C@H]12 ZINC000219644800 395846318 /nfs/dbraw/zinc/84/63/18/395846318.db2.gz VKEXDDJWGNAZAJ-JLUCKKNBSA-N 0 0 309.366 0.199 50 0 DCAARN CSCC[C@@H](O)C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000219987621 395847201 /nfs/dbraw/zinc/84/72/01/395847201.db2.gz DZMLYGWPLZAKLO-GFCCVEGCSA-N 0 0 321.406 0.939 50 0 DCAARN O=C(CCc1cccnc1)N1CCN(CCn2cncn2)CC1 ZINC000220037537 395847246 /nfs/dbraw/zinc/84/72/46/395847246.db2.gz PTRJNYBISHBXKB-UHFFFAOYSA-N 0 0 314.393 0.450 50 0 DCAARN CC[C@H](O)c1cc2n(n1)CCN(c1cc(OC)nc(N)n1)C2 ZINC000220585054 395848342 /nfs/dbraw/zinc/84/83/42/395848342.db2.gz ARGHJVWMGQPUQJ-NSHDSACASA-N 0 0 304.354 0.728 50 0 DCAARN O=C(Cn1ccnc1)N[C@@H]1CCOC[C@H]1OCc1ccccn1 ZINC000220422698 395848859 /nfs/dbraw/zinc/84/88/59/395848859.db2.gz ATPCMRISWVYSBE-HUUCEWRRSA-N 0 0 316.361 0.769 50 0 DCAARN O=C(N[C@@H]1COCC[C@@H]1OCCO)c1cccc(F)c1F ZINC000220504402 395849015 /nfs/dbraw/zinc/84/90/15/395849015.db2.gz ZWXVLIQPSWXKOC-NEPJUHHUSA-N 0 0 301.289 0.861 50 0 DCAARN Cc1ncsc1CCN(C)C(=O)CCNS(C)(=O)=O ZINC000221327542 395850157 /nfs/dbraw/zinc/85/01/57/395850157.db2.gz ZICAHCOMPZDDKF-UHFFFAOYSA-N 0 0 305.425 0.392 50 0 DCAARN COCCc1nc(CNC(=O)[C@H](C)n2cc(Cl)cn2)no1 ZINC000222464795 395852543 /nfs/dbraw/zinc/85/25/43/395852543.db2.gz CVBJIYMTXOHRHV-QMMMGPOBSA-N 0 0 313.745 0.986 50 0 DCAARN CC[C@H](Cn1ccnc1)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000222457363 395852676 /nfs/dbraw/zinc/85/26/76/395852676.db2.gz FFCIIGKTSJPKQB-SNVBAGLBSA-N 0 0 307.354 0.108 50 0 DCAARN Cn1cc([C@H](NC(=O)Cc2ccccn2)[C@H]2C[C@H](O)C2)cn1 ZINC000223316002 395854836 /nfs/dbraw/zinc/85/48/36/395854836.db2.gz ONAROOPTLLNMHW-DIOULYMOSA-N 0 0 300.362 0.986 50 0 DCAARN O=C(CSc1ccccn1)N[C@H]1COC[C@@H]1N1CCOCC1 ZINC000223415737 395854848 /nfs/dbraw/zinc/85/48/48/395854848.db2.gz MQWLZXRZYWLESK-STQMWFEESA-N 0 0 323.418 0.390 50 0 DCAARN NC(=O)C1(C(=O)N[C@H](c2nnc(N)s2)c2ccccc2)CC1 ZINC000223321482 395855221 /nfs/dbraw/zinc/85/52/21/395855221.db2.gz CVYHZGUUECXNGU-VIFPVBQESA-N 0 0 317.374 0.591 50 0 DCAARN O=C(Cn1ccccc1=O)N[C@H]1CCOC[C@H]1C1CCOCC1 ZINC000223681883 395855455 /nfs/dbraw/zinc/85/54/55/395855455.db2.gz NUVFKARLIXRAPF-GJZGRUSLSA-N 0 0 320.389 0.796 50 0 DCAARN CN(C)c1ccc(CC(=O)NCc2nc(C(N)=O)no2)cc1 ZINC000223670524 395855478 /nfs/dbraw/zinc/85/54/78/395855478.db2.gz HRAPKSZFSRYAGT-UHFFFAOYSA-N 0 0 303.322 0.093 50 0 DCAARN Cc1cn2nc(N3CCC[C@@H]3C(=O)N3CCOCC3)sc2n1 ZINC000051910071 395856934 /nfs/dbraw/zinc/85/69/34/395856934.db2.gz VGAWVTMQYWUHPV-LLVKDONJSA-N 0 0 321.406 0.927 50 0 DCAARN NC(=O)CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000053944383 395891609 /nfs/dbraw/zinc/89/16/09/395891609.db2.gz NTRXZJVEYDEKJV-UHFFFAOYSA-N 0 0 305.422 0.832 50 0 DCAARN COCCc1ccc(OCc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000054154834 395894401 /nfs/dbraw/zinc/89/44/01/395894401.db2.gz INZFPYVZNBJAPA-UHFFFAOYSA-N 0 0 304.346 0.852 50 0 DCAARN CC(C)NC(=O)C(=O)N1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000054481403 395900335 /nfs/dbraw/zinc/90/03/35/395900335.db2.gz KJBQRXOZINHIJV-ZDUSSCGKSA-N 0 0 307.394 0.538 50 0 DCAARN Cc1noc([C@@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)n1 ZINC000054662021 395903972 /nfs/dbraw/zinc/90/39/72/395903972.db2.gz AOHYSANOCSRIHJ-MNOVXSKESA-N 0 0 313.379 0.519 50 0 DCAARN Cc1cc(CN2CCN(C(=O)NCc3cnn(C)c3)CC2)on1 ZINC000054810648 395905979 /nfs/dbraw/zinc/90/59/79/395905979.db2.gz PMPFIYOMGUPVPH-UHFFFAOYSA-N 0 0 318.381 0.744 50 0 DCAARN CCc1cccc(NC(=O)CN2CCN(CC(N)=O)CC2)c1 ZINC000054977819 395908231 /nfs/dbraw/zinc/90/82/31/395908231.db2.gz ZEKUGCXQGQAYMZ-UHFFFAOYSA-N 0 0 304.394 0.290 50 0 DCAARN O=C(CCC(=O)NC1CCCC1)NCCSc1nc[nH]n1 ZINC000055133842 395912378 /nfs/dbraw/zinc/91/23/78/395912378.db2.gz NBVHOUOXTVZUMJ-UHFFFAOYSA-N 0 0 311.411 0.852 50 0 DCAARN Cc1cc(C)cc(NC(=O)CC(=O)NCCN2CCNC2=O)c1 ZINC000055385507 395917963 /nfs/dbraw/zinc/91/79/63/395917963.db2.gz MWJDLKKIIAJMCL-UHFFFAOYSA-N 0 0 318.377 0.773 50 0 DCAARN CC(C)CN1C[C@H](C(=O)NCCNC(=O)c2ccoc2)CC1=O ZINC000055395449 395918874 /nfs/dbraw/zinc/91/88/74/395918874.db2.gz NXQDHAXORBSTJG-CYBMUJFWSA-N 0 0 321.377 0.630 50 0 DCAARN O=C(CCNC(=O)c1ccccc1F)NCCN1CCNC1=O ZINC000055403296 395918911 /nfs/dbraw/zinc/91/89/11/395918911.db2.gz ORQPSVMJTGXTDQ-UHFFFAOYSA-N 0 0 322.340 0.087 50 0 DCAARN Cn1nc2c(cc1=O)C[C@H](NC(=O)c1cc(C3CC3)on1)CC2 ZINC000225787479 395863718 /nfs/dbraw/zinc/86/37/18/395863718.db2.gz CDBVUUBONPDYRD-LLVKDONJSA-N 0 0 314.345 0.933 50 0 DCAARN C[C@H](CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1)Cn1cccn1 ZINC000225801028 395863802 /nfs/dbraw/zinc/86/38/02/395863802.db2.gz JNBSXZMEOZEVEL-SECBINFHSA-N 0 0 300.322 0.514 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@]1(C)CC(c2ccc(F)cc2)=NO1 ZINC000226747146 395867184 /nfs/dbraw/zinc/86/71/84/395867184.db2.gz OYGSGHUSVLAUQD-HNNXBMFYSA-N 0 0 307.325 0.913 50 0 DCAARN C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)NCC(=O)N(C)C ZINC000227158753 395867817 /nfs/dbraw/zinc/86/78/17/395867817.db2.gz ANZWZAZWPMOVNO-LBPRGKRZSA-N 0 0 316.361 0.844 50 0 DCAARN C[C@@H](OCc1ccccc1)C(=O)NCC1(C(N)=O)CCOCC1 ZINC000052744810 395868782 /nfs/dbraw/zinc/86/87/82/395868782.db2.gz IJKNDRSVVPEWQL-CYBMUJFWSA-N 0 0 320.389 0.990 50 0 DCAARN C[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]2CCCC[C@@H]12 ZINC000229530955 395874929 /nfs/dbraw/zinc/87/49/29/395874929.db2.gz AXWTVVDLZAPLKR-WOPDTQHZSA-N 0 0 321.377 0.834 50 0 DCAARN NC(=O)[C@@H](c1ccccc1)N1CCC(N2CCNC2=O)CC1 ZINC000053283638 395879990 /nfs/dbraw/zinc/87/99/90/395879990.db2.gz WDPRLKIOVPJLHQ-CQSZACIVSA-N 0 0 302.378 0.703 50 0 DCAARN COC(=O)C1=C2C(=O)NCCN2C(=O)N[C@H]1c1ccccc1F ZINC000058420677 395952990 /nfs/dbraw/zinc/95/29/90/395952990.db2.gz KOLASRDFCWZHJC-NSHDSACASA-N 0 0 319.292 0.449 50 0 DCAARN CCOC(=O)[C@@H](OC(C)=O)[C@H](Br)C(=O)OCC ZINC000142262359 395958925 /nfs/dbraw/zinc/95/89/25/395958925.db2.gz WAEXOXZYBOQKKQ-YUMQZZPRSA-N 0 0 311.128 0.808 50 0 DCAARN COc1cc(CN2CC[NH+](CC(=O)[O-])CC2)cc(OC)c1OC ZINC000148645065 395968719 /nfs/dbraw/zinc/96/87/19/395968719.db2.gz VECCIFZUZHTKNE-UHFFFAOYSA-N 0 0 324.377 0.915 50 0 DCAARN C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1c[nH]c2ncccc12 ZINC000274753780 395974114 /nfs/dbraw/zinc/97/41/14/395974114.db2.gz LZZIBMMWIDUIHL-UGZDLDLSSA-N 0 0 315.420 0.950 50 0 DCAARN Cn1c(=O)c(C(=O)N2CCCCC2)nn(-c2ccccc2)c1=O ZINC000064967044 395989992 /nfs/dbraw/zinc/98/99/92/395989992.db2.gz ISNFWQJWYJWAOY-UHFFFAOYSA-N 0 0 314.345 0.557 50 0 DCAARN Cc1c(CN2CC[C@H](n3c(=O)[nH]c4cncnc43)C2)cnn1C ZINC000065256781 395991596 /nfs/dbraw/zinc/99/15/96/395991596.db2.gz GQIFFUIRSWZAMS-LBPRGKRZSA-N 0 0 313.365 0.609 50 0 DCAARN CCOc1nccnc1N1CC[C@@H](NC(=O)c2cnccn2)C1 ZINC000065268765 395992391 /nfs/dbraw/zinc/99/23/91/395992391.db2.gz JZUUVBKQPGXGBC-LLVKDONJSA-N 0 0 314.349 0.674 50 0 DCAARN COCCCNC(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2)C1 ZINC000065313729 395993047 /nfs/dbraw/zinc/99/30/47/395993047.db2.gz RXFRIOQKIBLQST-LBPRGKRZSA-N 0 0 308.382 0.149 50 0 DCAARN CSCC[C@H](CO)NC(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000252508022 396021994 /nfs/dbraw/zinc/02/19/94/396021994.db2.gz XAPDIKUTUXHZRC-CHWSQXEVSA-N 0 0 324.450 0.923 50 0 DCAARN COc1ccccc1N1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC000252512468 396022484 /nfs/dbraw/zinc/02/24/84/396022484.db2.gz QXHJYNZDLAPPOQ-VXGBXAGGSA-N 0 0 318.377 0.319 50 0 DCAARN CCc1nnc(SCC(=O)NCCN2CCCOC2=O)[nH]1 ZINC000252509075 396022628 /nfs/dbraw/zinc/02/26/28/396022628.db2.gz YCBTWZZQMXMQIG-UHFFFAOYSA-N 0 0 313.383 0.418 50 0 DCAARN CC(=O)N1CCC(C(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)CC1 ZINC000252511081 396022710 /nfs/dbraw/zinc/02/27/10/396022710.db2.gz ZTIODKNBKIEAJC-QLFBSQMISA-N 0 0 310.394 0.698 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)N2Cc3cnn(CCO)c3C2)CC1=O ZINC000067513568 396027923 /nfs/dbraw/zinc/02/79/23/396027923.db2.gz OVRHLOYFPIFZAQ-LBPRGKRZSA-N 0 0 320.393 0.222 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1COC ZINC000253414935 396027949 /nfs/dbraw/zinc/02/79/49/396027949.db2.gz ZCORUXJZSMOLJX-LSDHHAIUSA-N 0 0 320.389 0.670 50 0 DCAARN Cn1cc(S(=O)(=O)NC2CCN(c3nccn3C)CC2)cn1 ZINC000253431297 396028636 /nfs/dbraw/zinc/02/86/36/396028636.db2.gz GREIPPSGJAROMM-UHFFFAOYSA-N 0 0 324.410 0.101 50 0 DCAARN CO[C@H]1C[C@H](C(=O)NC[C@@H]2CC[C@H](C)C2)N(S(C)(=O)=O)C1 ZINC000253430542 396029018 /nfs/dbraw/zinc/02/90/18/396029018.db2.gz MNVLNCZVUVXEBD-QNWHQSFQSA-N 0 0 318.439 0.588 50 0 DCAARN C[N@H+]1[C@@H](c2ccccc2F)[C@@H](C(=O)N2CC(O)C2)C[C@H]1C(=O)[O-] ZINC000067654992 396029966 /nfs/dbraw/zinc/02/99/66/396029966.db2.gz JQRRIUYNFMUSCL-UBHSHLNASA-N 0 0 322.336 0.475 50 0 DCAARN Cc1ccn(CCN2CCN(c3cc(=O)nc(N)[nH]3)CC2)n1 ZINC000253537061 396030141 /nfs/dbraw/zinc/03/01/41/396030141.db2.gz WESYZJGOXOKJFP-UHFFFAOYSA-N 0 0 303.370 0.092 50 0 DCAARN CC(C)Cc1ncc2c(n1)CN(C(=O)CNS(C)(=O)=O)C2 ZINC000067743308 396032398 /nfs/dbraw/zinc/03/23/98/396032398.db2.gz UYDUTOGMOZUGDY-UHFFFAOYSA-N 0 0 312.395 0.067 50 0 DCAARN CC(=O)N[C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1CO ZINC000257177449 396034064 /nfs/dbraw/zinc/03/40/64/396034064.db2.gz BCYFKKRAXLFRLR-LSDHHAIUSA-N 0 0 306.362 0.159 50 0 DCAARN COC[C@H]1NC(=O)CC[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000257192921 396034771 /nfs/dbraw/zinc/03/47/71/396034771.db2.gz WHHOKGQWHSQVJF-VXGBXAGGSA-N 0 0 320.345 0.938 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1COC ZINC000257192539 396034955 /nfs/dbraw/zinc/03/49/55/396034955.db2.gz UWBXYTJFYWUOND-NWDGAFQWSA-N 0 0 316.361 0.415 50 0 DCAARN Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CO)[nH]n1 ZINC000257196114 396036108 /nfs/dbraw/zinc/03/61/08/396036108.db2.gz XPTYQZWDECDIRM-GOEBONIOSA-N 0 0 314.389 0.941 50 0 DCAARN CN(C)S(=O)(=O)CCNC(=O)c1cc(=O)c2ccccc2o1 ZINC000067842478 396036211 /nfs/dbraw/zinc/03/62/11/396036211.db2.gz QNWBIQXRPXBPBG-UHFFFAOYSA-N 0 0 324.358 0.414 50 0 DCAARN C[C@H](CN1CCc2ccccc2C1)NC(=O)CS(C)(=O)=O ZINC000067852189 396036266 /nfs/dbraw/zinc/03/62/66/396036266.db2.gz AYNOPMWATKNFLS-GFCCVEGCSA-N 0 0 310.419 0.594 50 0 DCAARN CCCc1cc(N2CCC3(CC2)NCCNC3=O)nc(C)n1 ZINC000067908294 396038857 /nfs/dbraw/zinc/03/88/57/396038857.db2.gz IPXPNWVLXLKJHY-UHFFFAOYSA-N 0 0 303.410 0.796 50 0 DCAARN Cn1nnnc1SCCNC(=O)c1n[nH]c2c1CCCC2 ZINC000067946784 396039814 /nfs/dbraw/zinc/03/98/14/396039814.db2.gz WKEACEWTDQJZAV-UHFFFAOYSA-N 0 0 307.383 0.334 50 0 DCAARN CCn1nc(C)cc1C(=O)NCCn1c(C)cc(C)nc1=O ZINC000067967090 396040566 /nfs/dbraw/zinc/04/05/66/396040566.db2.gz FGXGVUMXUHOZGJ-UHFFFAOYSA-N 0 0 303.366 0.815 50 0 DCAARN O=C(C1CCS(=O)(=O)CC1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000067974778 396041460 /nfs/dbraw/zinc/04/14/60/396041460.db2.gz VFZWXZMVNGPINX-GFCCVEGCSA-N 0 0 311.407 0.941 50 0 DCAARN Cc1cc(C)c(CNC(=O)c2ccccc2-n2cnnn2)c(=O)[nH]1 ZINC000068529703 396058550 /nfs/dbraw/zinc/05/85/50/396058550.db2.gz KLPOFIOLEPZJMJ-UHFFFAOYSA-N 0 0 324.344 0.897 50 0 DCAARN Cn1cnc(S(=O)(=O)NC[C@@H]2COc3ccccc3C2)c1 ZINC000069095083 396069305 /nfs/dbraw/zinc/06/93/05/396069305.db2.gz VNLQLNDDAJXKOV-LLVKDONJSA-N 0 0 307.375 0.950 50 0 DCAARN CN(Cc1noc(C(N)=O)n1)Cc1noc(C2CCCC2)n1 ZINC000252488409 396020651 /nfs/dbraw/zinc/02/06/51/396020651.db2.gz IRIQCJAXQVWERV-UHFFFAOYSA-N 0 0 306.326 0.841 50 0 DCAARN O=C(NCCn1nnc2ccc(F)cc2c1=O)c1ccco1 ZINC000252486165 396020941 /nfs/dbraw/zinc/02/09/41/396020941.db2.gz HIIKIGMPCOGKOF-UHFFFAOYSA-N 0 0 302.265 0.954 50 0 DCAARN Cc1cnc(CCNC(=O)N2CC[C@H](S(C)(=O)=O)C2)s1 ZINC000252489192 396021140 /nfs/dbraw/zinc/02/11/40/396021140.db2.gz JJZVNNOXMXFSDB-JTQLQIEISA-N 0 0 317.436 0.823 50 0 DCAARN COCCCNS(=O)(=O)c1ccc2c(c1)O[C@H](C)C(=O)N2 ZINC000252496064 396021661 /nfs/dbraw/zinc/02/16/61/396021661.db2.gz PENBOYYJYXUOLF-SECBINFHSA-N 0 0 314.363 0.721 50 0 DCAARN O=S(=O)(c1cccnc1)N1CCN(Cc2ccno2)CC1 ZINC000069660804 396086362 /nfs/dbraw/zinc/08/63/62/396086362.db2.gz QUCAXJUUOJFVKN-UHFFFAOYSA-N 0 0 308.363 0.576 50 0 DCAARN CCNC(=O)CN(CC)S(=O)(=O)Cc1cccc(OC)c1 ZINC000069703682 396087750 /nfs/dbraw/zinc/08/77/50/396087750.db2.gz XYOLGOHZHFLDMV-UHFFFAOYSA-N 0 0 314.407 0.983 50 0 DCAARN COc1cc(C)nc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000069740119 396088726 /nfs/dbraw/zinc/08/87/26/396088726.db2.gz WKKOKVNKPFPKPD-GFCCVEGCSA-N 0 0 306.366 0.621 50 0 DCAARN CN(C)S(=O)(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000069740888 396088754 /nfs/dbraw/zinc/08/87/54/396088754.db2.gz MTJBVHUYZWYRAT-VIFPVBQESA-N 0 0 317.798 0.841 50 0 DCAARN CCOCCN1CCN(CC(=O)NC2CCOCC2)C[C@@H]1C ZINC000069779889 396090092 /nfs/dbraw/zinc/09/00/92/396090092.db2.gz WDPKYBWOSFGLMH-AWEZNQCLSA-N 0 0 313.442 0.324 50 0 DCAARN O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCCCC1)c1ccco1 ZINC000069776568 396090371 /nfs/dbraw/zinc/09/03/71/396090371.db2.gz DXGKAFQVLBSPIB-NWDGAFQWSA-N 0 0 312.391 0.661 50 0 DCAARN Cc1ccc(CN(C(=O)CN2CCN(CCO)CC2)C2CC2)o1 ZINC000069777385 396090401 /nfs/dbraw/zinc/09/04/01/396090401.db2.gz DVAALPVEWGDILH-UHFFFAOYSA-N 0 0 321.421 0.689 50 0 DCAARN Cc1cc(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)n(C)n1 ZINC000069777735 396090480 /nfs/dbraw/zinc/09/04/80/396090480.db2.gz GDPFGWXFVZDKRA-CYBMUJFWSA-N 0 0 317.397 0.671 50 0 DCAARN COCCN1CCN(CC(=O)NCc2ccccn2)C[C@H]1C ZINC000069815858 396091160 /nfs/dbraw/zinc/09/11/60/396091160.db2.gz GIYPAJHDLUXDJV-CQSZACIVSA-N 0 0 306.410 0.350 50 0 DCAARN CNC(=O)N1CCC(OC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000169760756 396091242 /nfs/dbraw/zinc/09/12/42/396091242.db2.gz IRLDGQFGUIJZIM-UHFFFAOYSA-N 0 0 319.427 0.231 50 0 DCAARN CCCCC(=O)N1CCN([C@H]2CCN(CCOC)C2=O)CC1 ZINC000169750521 396091285 /nfs/dbraw/zinc/09/12/85/396091285.db2.gz GKRUWGGNQFDUPW-AWEZNQCLSA-N 0 0 311.426 0.568 50 0 DCAARN COc1cccc(CC(=O)N2CCc3nn(C)c(=O)n3CC2)c1 ZINC000169783095 396091646 /nfs/dbraw/zinc/09/16/46/396091646.db2.gz VOQNHMNDPUYVFD-UHFFFAOYSA-N 0 0 316.361 0.218 50 0 DCAARN COCCN1CCN(CC(=O)N(C)c2nccs2)C[C@H]1C ZINC000069840595 396092052 /nfs/dbraw/zinc/09/20/52/396092052.db2.gz UOLAHZPCMMHWEV-GFCCVEGCSA-N 0 0 312.439 0.758 50 0 DCAARN CO[C@@H]1C(=O)N(C2CCN(C(=O)C3CC3)CC2)C12CCOCC2 ZINC000169788238 396092477 /nfs/dbraw/zinc/09/24/77/396092477.db2.gz TUOFBNDQXSABLF-CQSZACIVSA-N 0 0 322.405 0.794 50 0 DCAARN Cc1noc(C)c1CC(=O)N[C@H]1CCc2nn(C)c(=O)n2CC1 ZINC000169783874 396092526 /nfs/dbraw/zinc/09/25/26/396092526.db2.gz URWJDLCNQYPPON-NSHDSACASA-N 0 0 319.365 0.250 50 0 DCAARN O=C(NCCSCCCO)c1nc2ccccc2c(=O)[nH]1 ZINC000069871507 396092738 /nfs/dbraw/zinc/09/27/38/396092738.db2.gz AETQDKQRFJERJZ-UHFFFAOYSA-N 0 0 307.375 0.769 50 0 DCAARN CCn1ccc(C(=O)N[C@H]2CCc3nnc(COC)n3CC2)n1 ZINC000169790351 396093306 /nfs/dbraw/zinc/09/33/06/396093306.db2.gz OINQWPMNJYRJAN-NSHDSACASA-N 0 0 318.381 0.776 50 0 DCAARN NC(=O)c1cc[nH]c1[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000169789315 396093412 /nfs/dbraw/zinc/09/34/12/396093412.db2.gz BQWXJDWREGWYPV-SECBINFHSA-N 0 0 323.378 0.405 50 0 DCAARN CNC(=O)N1CCC([C@H]2CCN(C(=O)c3nccn3C)C2)CC1 ZINC000169789081 396093500 /nfs/dbraw/zinc/09/35/00/396093500.db2.gz MKKCZLHWMBAQMP-ZDUSSCGKSA-N 0 0 319.409 0.934 50 0 DCAARN CC(C)(C)n1ncc2c1ncnc2N1CC[C@H](CO)[C@H](O)C1 ZINC000170091035 396094315 /nfs/dbraw/zinc/09/43/15/396094315.db2.gz SIKPKTUDNCQPTQ-ZYHUDNBSSA-N 0 0 305.382 0.761 50 0 DCAARN CC(C)[C@H](NC(=O)c1cnc2c(c1)nnn2C)c1ncon1 ZINC000170617812 396095998 /nfs/dbraw/zinc/09/59/98/396095998.db2.gz LYWVVTCBOAIKLN-JTQLQIEISA-N 0 0 301.310 0.873 50 0 DCAARN Cc1cc(C(=O)N2CC(C(=O)NCc3ccccn3)C2)no1 ZINC000070810805 396105283 /nfs/dbraw/zinc/10/52/83/396105283.db2.gz RPUUJUHOVBRNAK-UHFFFAOYSA-N 0 0 300.318 0.766 50 0 DCAARN CN1CC[NH+](C[C@@H](CC(=O)NCc2ccccc2)C(=O)[O-])CC1 ZINC000071280380 396112063 /nfs/dbraw/zinc/11/20/63/396112063.db2.gz ISIHODBILGVKTA-OAHLLOKOSA-N 0 0 319.405 0.641 50 0 DCAARN CCCc1nnc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)o1 ZINC000071589438 396114534 /nfs/dbraw/zinc/11/45/34/396114534.db2.gz BRCPTHKUBGAZLL-GFCCVEGCSA-N 0 0 308.382 0.959 50 0 DCAARN Cc1noc(C2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)n1 ZINC000071817163 396116416 /nfs/dbraw/zinc/11/64/16/396116416.db2.gz YCQISYMFXXSLOY-UHFFFAOYSA-N 0 0 319.365 0.155 50 0 DCAARN C[C@@H]1CCCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2C)CC1 ZINC000071842055 396118637 /nfs/dbraw/zinc/11/86/37/396118637.db2.gz QYLGTZFTADKEKS-SNVBAGLBSA-N 0 0 305.382 0.582 50 0 DCAARN CC(C)c1nc2c(n1C)CCN([C@H]1CS(=O)(=O)C[C@@H]1O)C2 ZINC000071880221 396122442 /nfs/dbraw/zinc/12/24/42/396122442.db2.gz YQCBHCDFIQSWJP-STQMWFEESA-N 0 0 313.423 0.060 50 0 DCAARN CC(C)c1nc2c(n1C)CCN(CCCS(N)(=O)=O)C2 ZINC000071880227 396122756 /nfs/dbraw/zinc/12/27/56/396122756.db2.gz YKCVNHIRWOMKFU-UHFFFAOYSA-N 0 0 300.428 0.580 50 0 DCAARN CCc1ncc2c(n1)CN([C@@H](C)C(=O)N1CCOCC1)CC2 ZINC000071880332 396122864 /nfs/dbraw/zinc/12/28/64/396122864.db2.gz UKKGWBPTFWOPRS-LBPRGKRZSA-N 0 0 304.394 0.644 50 0 DCAARN Cc1cc(C)n(CCNC(=O)c2cccc3ccnn32)c(=O)n1 ZINC000072151691 396126940 /nfs/dbraw/zinc/12/69/40/396126940.db2.gz RRDODNIWUWFCRT-UHFFFAOYSA-N 0 0 311.345 0.938 50 0 DCAARN CCN1C(=O)c2ccc(C(=O)N[C@H]3C[C@@H]3C)cc2S1(=O)=O ZINC000072094989 396127047 /nfs/dbraw/zinc/12/70/47/396127047.db2.gz ZYMORFICCZODQH-KWQFWETISA-N 0 0 308.359 0.989 50 0 DCAARN Cc1nn(C)c(Cl)c1CN1CCO[C@@H](Cn2cncn2)C1 ZINC000072267548 396127832 /nfs/dbraw/zinc/12/78/32/396127832.db2.gz RACBEMYNCMUCRE-LLVKDONJSA-N 0 0 310.789 0.874 50 0 DCAARN COc1c([C@H]2CCCN2CCS(C)(=O)=O)c(C)nn1C ZINC000072253989 396128352 /nfs/dbraw/zinc/12/83/52/396128352.db2.gz QEEQXYMKBLQNIY-LLVKDONJSA-N 0 0 301.412 0.919 50 0 DCAARN CCn1ccnc1CN1CCN(C[C@@H]2CN(C)CCO2)CC1 ZINC000072279887 396129113 /nfs/dbraw/zinc/12/91/13/396129113.db2.gz NPTCDKCRTPUZGW-HNNXBMFYSA-N 0 0 307.442 0.351 50 0 DCAARN CN1CCN(C(=O)NCCS(C)(=O)=O)Cc2ccccc21 ZINC000069306091 396074770 /nfs/dbraw/zinc/07/47/70/396074770.db2.gz FTSLXPBHKCXBTG-UHFFFAOYSA-N 0 0 311.407 0.693 50 0 DCAARN Cc1cc(C)n(C[C@@H]2CN(C[C@H](O)Cn3cccn3)CCO2)n1 ZINC000069368930 396076002 /nfs/dbraw/zinc/07/60/02/396076002.db2.gz QLYQXQGVVKPKLK-HOTGVXAUSA-N 0 0 319.409 0.458 50 0 DCAARN CCNC(=O)Cc1ccc(NC(=O)N[C@@H]2CCCNC2=O)cc1 ZINC000069349078 396076102 /nfs/dbraw/zinc/07/61/02/396076102.db2.gz DIJPITOFLHWPEE-CYBMUJFWSA-N 0 0 318.377 0.765 50 0 DCAARN Cc1cc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)n(C)n1 ZINC000069391355 396077331 /nfs/dbraw/zinc/07/73/31/396077331.db2.gz SZCFFHOSFSEOEH-CYBMUJFWSA-N 0 0 318.381 0.265 50 0 DCAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cn1cnnn1 ZINC000069421007 396077910 /nfs/dbraw/zinc/07/79/10/396077910.db2.gz SKIMLAAFIDAIEF-JTQLQIEISA-N 0 0 323.378 0.296 50 0 DCAARN Cn1ccnc1CN1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000069455523 396078471 /nfs/dbraw/zinc/07/84/71/396078471.db2.gz UEPGXIWIQOBVDZ-UHFFFAOYSA-N 0 0 313.405 0.837 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069455634 396079702 /nfs/dbraw/zinc/07/97/02/396079702.db2.gz CMNTUJMJBRZLAG-TXEJJXNPSA-N 0 0 312.414 0.016 50 0 DCAARN Cc1cnc(CN2CCN(c3ccc4nncn4n3)[C@H](C)C2)cn1 ZINC000069484779 396080347 /nfs/dbraw/zinc/08/03/47/396080347.db2.gz OOHZEEXAVXNLAB-CYBMUJFWSA-N 0 0 324.392 0.933 50 0 DCAARN CN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)c1ccn(C)n1 ZINC000279398275 396172133 /nfs/dbraw/zinc/17/21/33/396172133.db2.gz ZLXCIQSXAUPYGP-NSHDSACASA-N 0 0 314.345 0.513 50 0 DCAARN Cc1noc(COCC(=O)N2CCC[C@H]2c2noc(C)n2)n1 ZINC000076043282 396192744 /nfs/dbraw/zinc/19/27/44/396192744.db2.gz KEIKQDQVLMIWGF-JTQLQIEISA-N 0 0 307.310 0.950 50 0 DCAARN CCCCn1nnnc1CN1CCc2nn(CC)c(=O)cc2C1 ZINC000076064467 396196144 /nfs/dbraw/zinc/19/61/44/396196144.db2.gz ACNFUBVLUICVSW-UHFFFAOYSA-N 0 0 317.397 0.608 50 0 DCAARN CC(=O)N1CCC[C@@H](CNc2nc3c(cnn3C)c(N)n2)C1 ZINC000280493069 396204456 /nfs/dbraw/zinc/20/44/56/396204456.db2.gz OQTQLXWPDWLCCU-JTQLQIEISA-N 0 0 303.370 0.616 50 0 DCAARN CN(C)C(=O)CCNC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000078593247 396248371 /nfs/dbraw/zinc/24/83/71/396248371.db2.gz CYUUWOAHWLPSKR-ZDUSSCGKSA-N 0 0 318.377 0.569 50 0 DCAARN Cc1ccc([C@H]2CCCN2S(=O)(=O)N(C)CC(N)=O)o1 ZINC000078879962 396256139 /nfs/dbraw/zinc/25/61/39/396256139.db2.gz VOADDFDRDQQPLJ-SNVBAGLBSA-N 0 0 301.368 0.387 50 0 DCAARN COCCn1cc(CNC(=O)N2CC(=O)N(C3CC3)C2)cn1 ZINC000282356954 396283193 /nfs/dbraw/zinc/28/31/93/396283193.db2.gz AZGIBTLJEXFHTP-UHFFFAOYSA-N 0 0 307.354 0.003 50 0 DCAARN CN1C[C@H](CC(N)=O)Oc2ccc(C(=O)N3CCCC3)cc21 ZINC000077356615 396219702 /nfs/dbraw/zinc/21/97/02/396219702.db2.gz SYABCSYIMHZJTB-LBPRGKRZSA-N 0 0 303.362 0.995 50 0 DCAARN NS(=O)(=O)CCCC(=O)N1CCC[C@H](Cn2ccnc2)C1 ZINC000077394013 396221335 /nfs/dbraw/zinc/22/13/35/396221335.db2.gz BBJDXMYGHGQNTR-GFCCVEGCSA-N 0 0 314.411 0.190 50 0 DCAARN CCCc1cc(C(=O)NCCc2nc(C)cc(=O)[nH]2)n(C)n1 ZINC000077436748 396222511 /nfs/dbraw/zinc/22/25/11/396222511.db2.gz QPLNRSKHYUAZLN-UHFFFAOYSA-N 0 0 303.366 0.737 50 0 DCAARN Cn1ccnc1CN1CCC[C@]2(CCC(=O)N(CCO)C2)C1 ZINC000077516976 396225034 /nfs/dbraw/zinc/22/50/34/396225034.db2.gz LZUHTKBFBAPGRG-INIZCTEOSA-N 0 0 306.410 0.617 50 0 DCAARN CCCC(=O)N1CCC(c2nnc(CN(C)CCO)n2C)CC1 ZINC000077537595 396225703 /nfs/dbraw/zinc/22/57/03/396225703.db2.gz PTYUWCGPJLNFGS-UHFFFAOYSA-N 0 0 323.441 0.745 50 0 DCAARN Cc1cc(N2CCC(NC(=O)[C@H]3COC(=O)N3)CC2)nc(C)n1 ZINC000283325366 396329948 /nfs/dbraw/zinc/32/99/48/396329948.db2.gz GVJXAXURXBISBQ-GFCCVEGCSA-N 0 0 319.365 0.287 50 0 DCAARN CCn1cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000190759961 396411332 /nfs/dbraw/zinc/41/13/32/396411332.db2.gz BJZBIUHZXCECMO-CYBMUJFWSA-N 0 0 316.365 0.729 50 0 DCAARN NC(=O)CN1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000191898503 396426369 /nfs/dbraw/zinc/42/63/69/396426369.db2.gz UBTORQCNMRVVTJ-AWEZNQCLSA-N 0 0 302.378 0.043 50 0 DCAARN CCc1nc(C)c(CC(=O)N[C@H]2CCc3c[nH]nc3C2)c(=O)[nH]1 ZINC000584884167 396631850 /nfs/dbraw/zinc/63/18/50/396631850.db2.gz QATFCIBYFRKASD-NSHDSACASA-N 0 0 315.377 0.992 50 0 DCAARN NC(=O)Cc1nc(Cc2ccsc2)n(C[C@H]2COCCO2)n1 ZINC000584886251 396632413 /nfs/dbraw/zinc/63/24/13/396632413.db2.gz UHTAPGOTVBJKOA-NSHDSACASA-N 0 0 322.390 0.374 50 0 DCAARN CC(C)n1cnnc1CN(C)C(=O)NCCc1noc(CO)n1 ZINC000584886841 396632586 /nfs/dbraw/zinc/63/25/86/396632586.db2.gz LNYRTNONDJFUTL-UHFFFAOYSA-N 0 0 323.357 0.118 50 0 DCAARN Cc1cccc2nc(N3C[C@H](C(N)=O)[C@H](C(N)=O)C3)sc21 ZINC000585141611 396641392 /nfs/dbraw/zinc/64/13/92/396641392.db2.gz YALUABBPDINOQM-DTORHVGOSA-N 0 0 304.375 0.628 50 0 DCAARN Cc1cccc2nc(N3C[C@H](C(N)=O)[C@@H](C(N)=O)C3)sc21 ZINC000585141616 396641511 /nfs/dbraw/zinc/64/15/11/396641511.db2.gz YALUABBPDINOQM-IUCAKERBSA-N 0 0 304.375 0.628 50 0 DCAARN COC(=O)c1cc(NS(=O)(=O)N2CCCCC2)nn1C ZINC000585136455 396641553 /nfs/dbraw/zinc/64/15/53/396641553.db2.gz HCBYMEIUDAGQDK-UHFFFAOYSA-N 0 0 302.356 0.349 50 0 DCAARN CCNC(=O)[C@@H](C)NS(=O)(=O)C[C@@H](OC)c1ccccc1 ZINC000296105099 396704788 /nfs/dbraw/zinc/70/47/88/396704788.db2.gz XMQWWURSBQQJCO-DGCLKSJQSA-N 0 0 314.407 0.818 50 0 DCAARN O=C([C@H]1CCC(=O)NC1)N1CCC(Oc2cnsn2)CC1 ZINC000618257595 396942413 /nfs/dbraw/zinc/94/24/13/396942413.db2.gz YUQMEFIMYUJPBE-VIFPVBQESA-N 0 0 310.379 0.434 50 0 DCAARN Cc1ccc(CN2CNc3c(c(=O)n(C)c(=O)n3C)C2)cc1 ZINC000020320152 292102073 /nfs/dbraw/zinc/10/20/73/292102073.db2.gz GYHUYVCKYLNCBT-UHFFFAOYSA-N 0 0 300.362 0.778 50 0 DCAARN Cc1cc(C)n(CCNC(=O)C2(n3cnnn3)CCCCC2)n1 ZINC000604419003 397639751 /nfs/dbraw/zinc/63/97/51/397639751.db2.gz FYQVHBOIXRUILY-UHFFFAOYSA-N 0 0 317.397 0.962 50 0 DCAARN Cc1ccc([C@@H]2[C@@H](C(=O)N3CCOCC3)OCC(=O)N2C)cc1 ZINC000096181463 292236050 /nfs/dbraw/zinc/23/60/50/292236050.db2.gz BQOHJENQHZENCE-CVEARBPZSA-N 0 0 318.373 0.752 50 0 DCAARN COc1cc(OC)nc(N2CCC[C@@]3(CN(C)C(=O)O3)C2)n1 ZINC000072433350 286242702 /nfs/dbraw/zinc/24/27/02/286242702.db2.gz FTOHUXAIXGIKFC-CQSZACIVSA-N 0 0 308.338 0.915 50 0 DCAARN COCc1cc(C(=O)N2CC(=O)N(CC(F)(F)F)C2)no1 ZINC000330131402 159144010 /nfs/dbraw/zinc/14/40/10/159144010.db2.gz KWTNAMSUKLOQQR-UHFFFAOYSA-N 0 0 307.228 0.625 50 0 DCAARN C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000330534497 159187919 /nfs/dbraw/zinc/18/79/19/159187919.db2.gz USBPOOXEHOGYCE-ZYHUDNBSSA-N 0 0 313.379 0.128 50 0 DCAARN Cc1cc(C(=O)Cn2ccnn2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000331437527 159208851 /nfs/dbraw/zinc/20/88/51/159208851.db2.gz VEHHGVWBJQYQCR-LBPRGKRZSA-N 0 0 322.390 0.939 50 0 DCAARN CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1 ZINC000010518510 415150810 /nfs/dbraw/zinc/15/08/10/415150810.db2.gz LGDLNVIHCWYLAP-QMMMGPOBSA-N 0 0 300.336 0.015 50 0 DCAARN Cc1nn2cnnc2c(C)c1CCC(=O)N1CCN(C)CC1 ZINC000020994912 415154101 /nfs/dbraw/zinc/15/41/01/415154101.db2.gz WLROEEIUKREATR-UHFFFAOYSA-N 0 0 302.382 0.448 50 0 DCAARN NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1cc(Cl)c[nH]1 ZINC000025199821 415159931 /nfs/dbraw/zinc/15/99/31/415159931.db2.gz IYGRRIVUMSSCRV-JTQLQIEISA-N 0 0 313.741 0.691 50 0 DCAARN CCn1c(C)cn2c1nc1c2c(=O)n([C@H](C)C(C)=O)c(=O)n1C ZINC000004314182 415128697 /nfs/dbraw/zinc/12/86/97/415128697.db2.gz MIQRHASVNRVFGX-SECBINFHSA-N 0 0 317.349 0.628 50 0 DCAARN CC(C)C[C@H](C(=O)OCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000006358132 415132975 /nfs/dbraw/zinc/13/29/75/415132975.db2.gz PZXMSPNDSKDSDQ-GFCCVEGCSA-N 0 0 318.329 0.726 50 0 DCAARN CC(C)(CO)C1OCC2(CO1)COC(C(C)(C)CO)OC2 ZINC000005227699 415134193 /nfs/dbraw/zinc/13/41/93/415134193.db2.gz BPZIYBJCZRUDEG-UHFFFAOYSA-N 0 0 304.383 0.756 50 0 DCAARN COc1ccc(CNC(=O)CCCN2C(=O)CN(C)C2=O)cc1 ZINC000007667289 415139336 /nfs/dbraw/zinc/13/93/36/415139336.db2.gz XOGSZJLPIRMHHU-UHFFFAOYSA-N 0 0 319.361 0.986 50 0 DCAARN CCCNC(=O)CSc1nnc(-n2nc(C)cc2C)n1N ZINC000007530571 415140394 /nfs/dbraw/zinc/14/03/94/415140394.db2.gz OPTYAKMPSHMKPR-UHFFFAOYSA-N 0 0 309.399 0.413 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000011544862 415148097 /nfs/dbraw/zinc/14/80/97/415148097.db2.gz PEUMNKCDLMRHQK-UHFFFAOYSA-N 0 0 301.350 0.973 50 0 DCAARN CC(C)CN1CCO[C@@H](CNS(=O)(=O)N2CCCCC2)C1 ZINC000026958760 415169494 /nfs/dbraw/zinc/16/94/94/415169494.db2.gz OWKPQQPMRUANPO-AWEZNQCLSA-N 0 0 319.471 0.664 50 0 DCAARN C[C@H]1COCCN1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000026451991 415170879 /nfs/dbraw/zinc/17/08/79/415170879.db2.gz VKVFCAVKEWQDSB-NSHDSACASA-N 0 0 300.380 0.434 50 0 DCAARN CS(=O)(=O)N1CCc2cc(C(=O)N3CCC[C@H](O)C3)ccc21 ZINC000026241483 415170988 /nfs/dbraw/zinc/17/09/88/415170988.db2.gz ZLQQIBHPCZTMMU-ZDUSSCGKSA-N 0 0 324.402 0.606 50 0 DCAARN C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)[C@@H]1CCCO1 ZINC000027881628 415173547 /nfs/dbraw/zinc/17/35/47/415173547.db2.gz ZTHIZTQIQYMDCV-GWCFXTLKSA-N 0 0 302.334 0.475 50 0 DCAARN O=C(Cn1nc2ccccn2c1=O)N(C[C@H]1CCOC1)C1CC1 ZINC000044940994 415234254 /nfs/dbraw/zinc/23/42/54/415234254.db2.gz SZYRACYRCSZIOI-GFCCVEGCSA-N 0 0 316.361 0.524 50 0 DCAARN C[C@H](C(=O)N(C)Cc1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000044936373 415235421 /nfs/dbraw/zinc/23/54/21/415235421.db2.gz CPVNLGCZMBTHOH-SNVBAGLBSA-N 0 0 313.375 0.849 50 0 DCAARN CCN(CC)C(=O)N1CCN(Cc2nnnn2C2CC2)CC1 ZINC000044917143 415236225 /nfs/dbraw/zinc/23/62/25/415236225.db2.gz WPBVAXWSFKJACD-UHFFFAOYSA-N 0 0 307.402 0.587 50 0 DCAARN C[C@H](CNC(=O)NC[C@@H](c1ccco1)N(C)C)N1CCOCC1 ZINC000044949267 415239272 /nfs/dbraw/zinc/23/92/72/415239272.db2.gz PIBVQLIEQPUJRY-KGLIPLIRSA-N 0 0 324.425 0.902 50 0 DCAARN O=C(c1cc(C2CC2)n[nH]1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000045053241 415244713 /nfs/dbraw/zinc/24/47/13/415244713.db2.gz NLEIDVFKIIOOPP-CQSZACIVSA-N 0 0 318.377 0.751 50 0 DCAARN CC(C)C(=O)NCCNC(=O)Nc1ccccc1CC(N)=O ZINC000045725238 415251856 /nfs/dbraw/zinc/25/18/56/415251856.db2.gz UQCLMAQWSJAIGK-UHFFFAOYSA-N 0 0 306.366 0.608 50 0 DCAARN Cc1nn(C)c(Cl)c1C(=O)N[C@@H](C)CN1CCOCC1 ZINC000046884730 415263866 /nfs/dbraw/zinc/26/38/66/415263866.db2.gz RTOXTGWZKJXJCR-VIFPVBQESA-N 0 0 300.790 0.832 50 0 DCAARN Cc1noc(C)c1CN1CCN(C(=O)Cn2cncn2)CC1 ZINC000047091675 415267342 /nfs/dbraw/zinc/26/73/42/415267342.db2.gz SUOKXZMVLBEUSJ-UHFFFAOYSA-N 0 0 304.354 0.227 50 0 DCAARN COc1ccnc(N2CCN(C(=O)c3cnc(C)cn3)CC2)n1 ZINC000047693882 415279026 /nfs/dbraw/zinc/27/90/26/415279026.db2.gz MCAORXMGUGKIFD-UHFFFAOYSA-N 0 0 314.349 0.546 50 0 DCAARN O=C(NCc1cccnc1N1CCOCC1)[C@@H]1CCC(=O)NC1 ZINC000048113337 415282612 /nfs/dbraw/zinc/28/26/12/415282612.db2.gz BYDSBJVZKKSXNC-CYBMUJFWSA-N 0 0 318.377 0.061 50 0 DCAARN C[C@@H](C(=O)NC[C@@H]1CCCO1)n1nnc2ccccc2c1=O ZINC000044450445 415222750 /nfs/dbraw/zinc/22/27/50/415222750.db2.gz REKHINOJSRCMOE-QWRGUYRKSA-N 0 0 302.334 0.648 50 0 DCAARN CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1C ZINC000044718224 415226299 /nfs/dbraw/zinc/22/62/99/415226299.db2.gz ZSANYUSIEKOIMR-NSHDSACASA-N 0 0 312.391 0.999 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1cc2ccccc2[nH]c1=O ZINC000044908023 415230293 /nfs/dbraw/zinc/23/02/93/415230293.db2.gz IBCBGVKJNMLZHZ-SNVBAGLBSA-N 0 0 320.370 0.693 50 0 DCAARN CN(C(=O)c1ccnc(-n2ccnc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000048224352 415288146 /nfs/dbraw/zinc/28/81/46/415288146.db2.gz FEJALDUBHKGUMI-LBPRGKRZSA-N 0 0 320.374 0.526 50 0 DCAARN O=C(NCc1cc[nH]n1)NC[C@H](O)COc1cccc(F)c1 ZINC000048254106 415288491 /nfs/dbraw/zinc/28/84/91/415288491.db2.gz RRQVJIGVJUOXIM-LBPRGKRZSA-N 0 0 308.313 0.788 50 0 DCAARN CCCC(=O)N1CCCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000048311068 415290040 /nfs/dbraw/zinc/29/00/40/415290040.db2.gz WFPSMTBKOVBKKW-UHFFFAOYSA-N 0 0 314.411 0.443 50 0 DCAARN O=C(Nc1ccc(-n2ccnc2)nc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000048333786 415291053 /nfs/dbraw/zinc/29/10/53/415291053.db2.gz AEXUZFNZNXSFQS-LLVKDONJSA-N 0 0 321.362 0.576 50 0 DCAARN CC(C)C[C@@H](CNC(=O)NCc1cc[nH]n1)N1CCOCC1 ZINC000048331463 415291532 /nfs/dbraw/zinc/29/15/32/415291532.db2.gz HQSCKFSIDPVMOU-AWEZNQCLSA-N 0 0 309.414 0.956 50 0 DCAARN CC(C)C(=O)N1CCC[C@@H](C(=O)NCCNc2cnccn2)C1 ZINC000048354599 415291941 /nfs/dbraw/zinc/29/19/41/415291941.db2.gz UZCFXMSPFXQNOX-CYBMUJFWSA-N 0 0 319.409 0.899 50 0 DCAARN CC(C)Cn1c(N)c(C(=O)CN(C)CC2CC2)c(=O)[nH]c1=O ZINC000048367301 415292474 /nfs/dbraw/zinc/29/24/74/415292474.db2.gz DKIUKCSQVPNNCI-UHFFFAOYSA-N 0 0 308.382 0.299 50 0 DCAARN CNC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000048645730 415296546 /nfs/dbraw/zinc/29/65/46/415296546.db2.gz YGGPZVCYHWEVLM-UHFFFAOYSA-N 0 0 301.343 0.471 50 0 DCAARN CCCS(=O)(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000069627231 415399666 /nfs/dbraw/zinc/39/96/66/415399666.db2.gz PISOYFVXDGJWEH-NSHDSACASA-N 0 0 302.371 0.799 50 0 DCAARN Cc1ccc(NC(=O)[C@H]2CN(c3ncc(F)cn3)CCN2)cn1 ZINC000072120892 415410037 /nfs/dbraw/zinc/41/00/37/415410037.db2.gz FCSJIJXJGLROHU-CYBMUJFWSA-N 0 0 316.340 0.736 50 0 DCAARN NC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000071829247 415410068 /nfs/dbraw/zinc/41/00/68/415410068.db2.gz BFWDDZMVZGGZHA-LSDHHAIUSA-N 0 0 301.390 0.810 50 0 DCAARN CC(C)S(=O)(=O)CCCN1CCC[C@@H]1c1nc(=N)n(C)[nH]1 ZINC000332367743 415367010 /nfs/dbraw/zinc/36/70/10/415367010.db2.gz LGQNAOGOQQDNOY-LLVKDONJSA-N 0 0 315.443 0.578 50 0 DCAARN O=C([C@H]1COc2ccccc2O1)N1Cc2cnn(CCO)c2C1 ZINC000067605178 415381080 /nfs/dbraw/zinc/38/10/80/415381080.db2.gz ZLWICDSAQGJIQJ-OAHLLOKOSA-N 0 0 315.329 0.558 50 0 DCAARN CCOCCN1CCN([C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000084801341 415501041 /nfs/dbraw/zinc/50/10/41/415501041.db2.gz QJRYZLBODFERFQ-OAHLLOKOSA-N 0 0 321.425 0.180 50 0 DCAARN CCOC(=O)[C@@H](NC(=O)COCCOC)c1cccc(O)c1 ZINC000084791202 415501256 /nfs/dbraw/zinc/50/12/56/415501256.db2.gz XDHDJHXOTICHAF-AWEZNQCLSA-N 0 0 311.334 0.776 50 0 DCAARN Cc1nc2sn(CC(=O)N3CCNC3=O)c(=O)c2c(C)c1C ZINC000075148762 415437499 /nfs/dbraw/zinc/43/74/99/415437499.db2.gz FWDXOGZSJCGQKG-UHFFFAOYSA-N 0 0 320.374 0.935 50 0 DCAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CSCCC(=O)N1 ZINC000075171138 415441820 /nfs/dbraw/zinc/44/18/20/415441820.db2.gz STFIZTPBJYWJGD-SNVBAGLBSA-N 0 0 308.359 0.653 50 0 DCAARN Cc1cc(C)n(CCNC(=O)c2nnn(-c3ccccc3)n2)n1 ZINC000075163255 415443035 /nfs/dbraw/zinc/44/30/35/415443035.db2.gz BBUPSAVJTPCPFC-UHFFFAOYSA-N 0 0 311.349 0.906 50 0 DCAARN C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@@H](C)N1CCSCC1 ZINC000089904087 415527532 /nfs/dbraw/zinc/52/75/32/415527532.db2.gz VOFUAXTYZQSRBV-GHMZBOCLSA-N 0 0 308.469 0.315 50 0 DCAARN Cc1ncc(S(C)(=O)=O)c(NC[C@H]2COCCN(C)C2)n1 ZINC000095363214 415554929 /nfs/dbraw/zinc/55/49/29/415554929.db2.gz GHPOIEGPCSCCRP-LLVKDONJSA-N 0 0 314.411 0.179 50 0 DCAARN C[C@H](C(N)=O)N1CCN(c2ncc(Br)cn2)CC1 ZINC000095356520 415555582 /nfs/dbraw/zinc/55/55/82/415555582.db2.gz HBGKZBPDILDFKJ-MRVPVSSYSA-N 0 0 314.187 0.235 50 0 DCAARN COCCN1C(=O)[C@H]2CC[C@@H]1CN(c1cc(COC)ncn1)C2 ZINC000095376350 415558255 /nfs/dbraw/zinc/55/82/55/415558255.db2.gz BXYWOEOIYKISHL-GXTWGEPZSA-N 0 0 320.393 0.697 50 0 DCAARN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@]12CCCO2 ZINC000095940074 415565911 /nfs/dbraw/zinc/56/59/11/415565911.db2.gz BBKWTETXIGHLJN-JMSVASOKSA-N 0 0 307.350 0.237 50 0 DCAARN Cn1ncc2c1nnn(Cc1nc(N)c3ccccc3n1)c2=O ZINC000096008322 415573420 /nfs/dbraw/zinc/57/34/20/415573420.db2.gz PLJIYKUCVWCWRW-UHFFFAOYSA-N 0 0 308.305 0.099 50 0 DCAARN COC(=O)[C@@H](O)CNc1ccc2nnc(C(F)(F)F)n2n1 ZINC000096011333 415573541 /nfs/dbraw/zinc/57/35/41/415573541.db2.gz WZYVAZVPDIHXON-YFKPBYRVSA-N 0 0 305.216 0.089 50 0 DCAARN COc1ccc(CC(=O)N[C@@H]2C[C@H](O)[C@H](CO)C2)cc1OC ZINC000107286799 415662486 /nfs/dbraw/zinc/66/24/86/415662486.db2.gz XWIMUYQFZPMMGW-AVGNSLFASA-N 0 0 309.362 0.494 50 0 DCAARN Nc1ccnc(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1 ZINC000120631667 415777280 /nfs/dbraw/zinc/77/72/80/415777280.db2.gz BYOBNPVBYMZPFW-JTQLQIEISA-N 0 0 315.308 0.940 50 0 DCAARN COc1c(CNC(=O)C(C)(C)N2CCOCC2)c(C)nn1C ZINC000338163629 416053167 /nfs/dbraw/zinc/05/31/67/416053167.db2.gz IBEWTWIYNFHJLO-UHFFFAOYSA-N 0 0 310.398 0.464 50 0 DCAARN O=C(CN1CCOC1=O)NC1CCN(c2ncccn2)CC1 ZINC000299767784 416065656 /nfs/dbraw/zinc/06/56/56/416065656.db2.gz KEVDEECSANXLBO-UHFFFAOYSA-N 0 0 305.338 0.014 50 0 DCAARN O=C(CCn1cc(Cl)cn1)NCCN1CCCOC1=O ZINC000299773452 416066013 /nfs/dbraw/zinc/06/60/13/416066013.db2.gz BOZOASMUXQIWTR-UHFFFAOYSA-N 0 0 300.746 0.885 50 0 DCAARN CCc1c(C)nn(CCNC(=O)c2nc3ncccn3n2)c1C ZINC000299763699 416066237 /nfs/dbraw/zinc/06/62/37/416066237.db2.gz PLQUEQRWUFCDAH-UHFFFAOYSA-N 0 0 313.365 0.930 50 0 DCAARN CC(C)(C)c1cc(CNC(=O)CCNS(C)(=O)=O)[nH]n1 ZINC000299782451 416067811 /nfs/dbraw/zinc/06/78/11/416067811.db2.gz SUFGJBYQLFMPPJ-UHFFFAOYSA-N 0 0 302.400 0.263 50 0 DCAARN O=C([C@H]1COCCO1)N1CCCN(Cc2ccncc2)CC1 ZINC000299779173 416068165 /nfs/dbraw/zinc/06/81/65/416068165.db2.gz DHEJGNLGMCPAJN-OAHLLOKOSA-N 0 0 305.378 0.531 50 0 DCAARN COC(=O)[C@@H]1C[C@H](NC(=O)c2cc(OC)cc(OC)c2)CN1 ZINC000299795604 416069008 /nfs/dbraw/zinc/06/90/08/416069008.db2.gz LTBICANWRZJHFF-GWCFXTLKSA-N 0 0 308.334 0.337 50 0 DCAARN Cn1cc(CCC(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)cn1 ZINC000299787538 416069562 /nfs/dbraw/zinc/06/95/62/416069562.db2.gz OVQNKBZJSOINII-UONOGXRCSA-N 0 0 316.365 0.317 50 0 DCAARN NC(=O)c1cccnc1N1CCN(c2ncnc3n[nH]cc32)CC1 ZINC000301136919 416075410 /nfs/dbraw/zinc/07/54/10/416075410.db2.gz AWUBKCBIXCDBIJ-UHFFFAOYSA-N 0 0 324.348 0.173 50 0 DCAARN COc1ccnc(N2CCC(C(=O)N3CC[NH2+]C[C@@H]3C)CC2)n1 ZINC000179119873 416182543 /nfs/dbraw/zinc/18/25/43/416182543.db2.gz ZYCXYJXGBLGHIN-LBPRGKRZSA-N 0 0 319.409 0.522 50 0 DCAARN CC(C)NC(=O)CN(C)CC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000341828433 416240137 /nfs/dbraw/zinc/24/01/37/416240137.db2.gz KHDCRMZBWJGEBD-MRXNPFEDSA-N 0 0 311.426 0.472 50 0 DCAARN CN1CCN2CCN(c3ncc(F)c(N4CCCC4)n3)C[C@H]2C1 ZINC000247961154 416333070 /nfs/dbraw/zinc/33/30/70/416333070.db2.gz DPBPRFRSGNUYLT-CYBMUJFWSA-N 0 0 320.416 0.652 50 0 DCAARN NC(=O)Cn1ccn2nc(-c3cccc(F)c3)c(CO)c2c1=O ZINC000263615451 416338491 /nfs/dbraw/zinc/33/84/91/416338491.db2.gz CLOGIBFEGFKFQS-UHFFFAOYSA-N 0 0 316.292 0.280 50 0 DCAARN Nc1nc(=O)cc(N2CCN(Cc3ccc(Cl)o3)CC2)[nH]1 ZINC000215117113 416326924 /nfs/dbraw/zinc/32/69/24/416326924.db2.gz QRGBAPJEUBMBBH-UHFFFAOYSA-N 0 0 309.757 0.921 50 0 DCAARN O=C(NCc1nc(-c2cnccn2)n[nH]1)c1n[nH]c2c1CCC2 ZINC000215549512 416327026 /nfs/dbraw/zinc/32/70/26/416327026.db2.gz JQYYSWMWEADTDM-UHFFFAOYSA-N 0 0 310.321 0.404 50 0 DCAARN O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1cccc(=O)[nH]1 ZINC000215190495 416327037 /nfs/dbraw/zinc/32/70/37/416327037.db2.gz WYGAEXBUNROONS-LBPRGKRZSA-N 0 0 313.361 0.811 50 0 DCAARN Cc1ncsc1CCCNC(=O)Cc1c[nH]c(=O)n(C)c1=O ZINC000215151115 416327144 /nfs/dbraw/zinc/32/71/44/416327144.db2.gz XBYLDPRHZPWUBT-UHFFFAOYSA-N 0 0 322.390 0.130 50 0 DCAARN Cc1cnc(CNC(=O)c2ccc(-c3nnn(C)n3)cc2)cn1 ZINC000215630628 416327252 /nfs/dbraw/zinc/32/72/52/416327252.db2.gz PBNQBXJGDBOBPW-UHFFFAOYSA-N 0 0 309.333 0.906 50 0 DCAARN C[C@@H](O)CN1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000225401602 416327762 /nfs/dbraw/zinc/32/77/62/416327762.db2.gz DORRAFYEYITFSF-CJNGLKHVSA-N 0 0 303.406 0.938 50 0 DCAARN CCc1cccnc1C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000241587886 416330224 /nfs/dbraw/zinc/33/02/24/416330224.db2.gz OXWRSUBSTFHKTR-ZBEGNZNMSA-N 0 0 316.361 0.752 50 0 DCAARN CCc1nc2ccccc2n1CCC(=O)N(C)C[C@@H](O)CO ZINC000243892742 416330406 /nfs/dbraw/zinc/33/04/06/416330406.db2.gz AKKJBMIGDJYJFC-GFCCVEGCSA-N 0 0 305.378 0.800 50 0 DCAARN Cc1nc(N)ncc1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 ZINC000244741962 416330994 /nfs/dbraw/zinc/33/09/94/416330994.db2.gz NZRKOYFYSOKRNZ-SUZMYJTESA-N 0 0 316.365 0.343 50 0 DCAARN CCc1ccccc1S(=O)(=O)N[C@H](CO)Cc1cnn(C)c1 ZINC000583652093 416482476 /nfs/dbraw/zinc/48/24/76/416482476.db2.gz YGIOKEYONWPECJ-AWEZNQCLSA-N 0 0 323.418 0.864 50 0 DCAARN Nc1n[nH]c(SCC(=O)N[C@H]2COc3ccccc3C2)n1 ZINC000584886580 416516098 /nfs/dbraw/zinc/51/60/98/416516098.db2.gz JRQUJQMIUPARRH-SECBINFHSA-N 0 0 305.363 0.599 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)C2(CO)CC2)C1 ZINC000585113622 416517948 /nfs/dbraw/zinc/51/79/48/416517948.db2.gz ZJHMZPDINHYADF-NWDGAFQWSA-N 0 0 318.439 0.325 50 0 DCAARN COC(=O)CCN1CC[C@@H](N2C[C@H](O)Cc3ccccc32)C1=O ZINC000585094401 416518321 /nfs/dbraw/zinc/51/83/21/416518321.db2.gz ZZZNIMVBEMEIQT-UKRRQHHQSA-N 0 0 318.373 0.574 50 0 DCAARN Nc1ncc(C[N@@H+]2CCC[C@H](c3ccn(CC(=O)[O-])n3)C2)cn1 ZINC000426415468 416768535 /nfs/dbraw/zinc/76/85/35/416768535.db2.gz PLBHAQHOOFNOJG-LBPRGKRZSA-N 0 0 316.365 0.720 50 0 DCAARN O=C(c1cnccn1)N1CCC(F)(C(=O)N2CCOCC2)CC1 ZINC000575554264 417539218 /nfs/dbraw/zinc/53/92/18/417539218.db2.gz FASIILQEOAOFAH-UHFFFAOYSA-N 0 0 322.340 0.280 50 0 DCAARN CNC(=O)/C=C/CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000575617825 417540770 /nfs/dbraw/zinc/54/07/70/417540770.db2.gz PACQUPMBNMKDSN-DUXPYHPUSA-N 0 0 301.346 0.845 50 0 DCAARN Cn1ccc(C(=O)N[C@@]2(CO)COc3ccccc3C2)cc1=O ZINC000529824022 417515429 /nfs/dbraw/zinc/51/54/29/417515429.db2.gz XBJIGSYKOWODCO-KRWDZBQOSA-N 0 0 314.341 0.481 50 0 DCAARN O=C(CN1CCN(C(=O)Cc2ccncc2)CC1)N1CCCC1 ZINC000299223256 229002910 /nfs/dbraw/zinc/00/29/10/229002910.db2.gz AJKHWWXKJPMUFA-UHFFFAOYSA-N 0 0 316.405 0.391 50 0 DCAARN COCC(=O)N1CC[C@@H](Nc2cnc3ccccc3n2)[C@H](O)C1 ZINC000299764767 229410896 /nfs/dbraw/zinc/41/08/96/229410896.db2.gz FAKXHUDYQMKXSF-ZIAGYGMSSA-N 0 0 316.361 0.650 50 0 DCAARN COc1ccc(CCNC(=O)C2=NNC(=O)CC2)cc1OC ZINC000014122252 262525439 /nfs/dbraw/zinc/52/54/39/262525439.db2.gz PCXZAFLMZKQWBF-UHFFFAOYSA-N 0 0 305.334 0.629 50 0 DCAARN CCn1ncn(NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)c1=O ZINC000497069162 272365970 /nfs/dbraw/zinc/36/59/70/272365970.db2.gz CSZICJSOTYDHGG-SECBINFHSA-N 0 0 311.342 0.144 50 0 DCAARN CCN1N=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000005148121 276254401 /nfs/dbraw/zinc/25/44/01/276254401.db2.gz DCUBIOXCLHDRES-UHFFFAOYSA-N 0 0 318.381 0.676 50 0 DCAARN CC[C@](C)(CNC(=O)N[C@@H](C)c1nncn1C)N1CCOCC1 ZINC000065566922 276647798 /nfs/dbraw/zinc/64/77/98/276647798.db2.gz QYXUDKSOFXGUEH-SWLSCSKDSA-N 0 0 324.429 0.676 50 0 DCAARN CC(C)NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O ZINC000036704076 277652015 /nfs/dbraw/zinc/65/20/15/277652015.db2.gz AEZFYZSYHSLYIR-INIZCTEOSA-N 0 0 317.345 0.741 50 0 DCAARN COc1c(CN[C@H]2CCS(=O)(=O)C2)c(C(C)C)nn1C ZINC000058405013 277788293 /nfs/dbraw/zinc/78/82/93/277788293.db2.gz XTCTYXSHFRUUIL-JTQLQIEISA-N 0 0 301.412 0.829 50 0 DCAARN C[C@@H]1CN(C(=O)C[C@@H]2CSc3nccc(=O)n32)C[C@H](C)O1 ZINC000014030938 277825256 /nfs/dbraw/zinc/82/52/56/277825256.db2.gz CEHKDKGCFYOZBU-OUAUKWLOSA-N 0 0 309.391 0.916 50 0 DCAARN Nc1cccc(CNS(=O)(=O)CCCN2CCOCC2)c1 ZINC000546629807 288022818 /nfs/dbraw/zinc/02/28/18/288022818.db2.gz GWAKPQYBQXGMTL-UHFFFAOYSA-N 0 0 313.423 0.411 50 0 DCAARN C[C@@H]1C[C@H](N2CCN(c3ccc4nncn4n3)[C@H](C)C2)C(=O)O1 ZINC000069458604 278970941 /nfs/dbraw/zinc/97/09/41/278970941.db2.gz KTTYJZMRAQDOHB-UTUOFQBUSA-N 0 0 316.365 0.339 50 0 DCAARN C[C@@H]1Oc2ccc(NC(=O)C3=NN(C)C(=O)CC3)cc2NC1=O ZINC000032836954 279063399 /nfs/dbraw/zinc/06/33/99/279063399.db2.gz KGUBEJGOCSQXQG-QMMMGPOBSA-N 0 0 316.317 0.953 50 0 DCAARN Cc1nc2c(cnn2C)c(N2CCC[C@@]3(CNC(=O)O3)C2)n1 ZINC000095363831 279113732 /nfs/dbraw/zinc/11/37/32/279113732.db2.gz YTCJSCFPLXSEDV-CQSZACIVSA-N 0 0 302.338 0.751 50 0 DCAARN Cc1nonc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 ZINC000219633345 279262151 /nfs/dbraw/zinc/26/21/51/279262151.db2.gz KMTAQNRVMJVUMS-GHMZBOCLSA-N 0 0 304.306 0.739 50 0 DCAARN C[C@H]1CCC[C@H](C)N1C(=O)CN1C(=O)NC2(CCOCC2)C1=O ZINC000057947571 299890323 /nfs/dbraw/zinc/89/03/23/299890323.db2.gz WNOXVIXMLLDRLJ-RYUDHWBXSA-N 0 0 323.393 0.877 50 0 DCAARN COc1ccc([C@H](C(=O)[O-])[NH+]2CCC(CO)CC2)c(OC)n1 ZINC000095362472 295233368 /nfs/dbraw/zinc/23/33/68/295233368.db2.gz CEEZXXVXDFTXBN-CYBMUJFWSA-N 0 0 310.350 0.929 50 0 DCAARN C[C@H]1OCCN(C(=O)c2ccc(N(C)C)cc2F)[C@@H]1C(N)=O ZINC000284924782 300596227 /nfs/dbraw/zinc/59/62/27/300596227.db2.gz BUEBEHZGTXFHAA-RNCFNFMXSA-N 0 0 309.341 0.607 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@]23CCc2ccccc23)CCO1 ZINC000095404177 303305564 /nfs/dbraw/zinc/30/55/64/303305564.db2.gz JKZUILKYAJJVTR-KEYYUXOJSA-N 0 0 300.358 0.603 50 0 DCAARN Nc1nc(N)nc(CSc2nnc(-c3cccnc3)o2)n1 ZINC000014123197 331548361 /nfs/dbraw/zinc/54/83/61/331548361.db2.gz VVWMZRXUUXDFCE-UHFFFAOYSA-N 0 0 302.323 0.773 50 0 DCAARN CCN1C[C@H](NC(=O)N(C)Cc2[nH]nc3c2CCC3)CC1=O ZINC000534646433 334306031 /nfs/dbraw/zinc/30/60/31/334306031.db2.gz PDZFDMVYRNOKIQ-SNVBAGLBSA-N 0 0 305.382 0.661 50 0 DCAARN Cc1c(C(=O)N[C@H]2COC[C@@H]2N2CCN(C)CC2)ccn1C ZINC000534658925 334315329 /nfs/dbraw/zinc/31/53/29/334315329.db2.gz BCDYJMRNYNSAFV-GJZGRUSLSA-N 0 0 306.410 0.078 50 0 DCAARN O=C(NCCCNc1cccnc1)N1CCS(=O)(=O)CC1 ZINC000534660419 334315827 /nfs/dbraw/zinc/31/58/27/334315827.db2.gz DUDWGYYLIYHFLA-UHFFFAOYSA-N 0 0 312.395 0.324 50 0 DCAARN C[C@H](NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1)C(=O)N(C)C ZINC000144306258 337383532 /nfs/dbraw/zinc/38/35/32/337383532.db2.gz QGWRBWJNAVPIHJ-DTWKUNHWSA-N 0 0 310.320 0.399 50 0 DCAARN CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000268315465 520761032 /nfs/dbraw/zinc/76/10/32/520761032.db2.gz CZWKERQYMAWQLO-VXGBXAGGSA-N 0 0 323.397 0.996 50 0 DCAARN CC(=O)N[C@H](C(=O)N1CCN(c2ncccn2)CC1)C(C)C ZINC000022745416 534598592 /nfs/dbraw/zinc/59/85/92/534598592.db2.gz OGEIERQPIQOOIZ-ZDUSSCGKSA-N 0 0 305.382 0.286 50 0 DCAARN Cc1nc2c(c(=O)n1C)CN(c1cc([C@@H]3CCOC3)ncn1)C2 ZINC000299772692 534620535 /nfs/dbraw/zinc/62/05/35/534620535.db2.gz BJGYNHKVBDGINL-LLVKDONJSA-N 0 0 313.361 0.903 50 0 DCAARN COC[C@H](NC(=O)N1CCN(c2cnccn2)CC1)C1CC1 ZINC000127155691 522709274 /nfs/dbraw/zinc/70/92/74/522709274.db2.gz GBJVDEADNQWLTO-ZDUSSCGKSA-N 0 0 305.382 0.733 50 0 DCAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H](O)C(N)=O)cc1 ZINC000408515003 526495853 /nfs/dbraw/zinc/49/58/53/526495853.db2.gz DTPWZMGMSDFATK-NSHDSACASA-N 0 0 323.349 0.610 50 0 DCAARN CC1=C(C(N)=O)[C@@H](c2ccc(Cl)cc2)N2NC(CO)=NC2=N1 ZINC000390834975 528084732 /nfs/dbraw/zinc/08/47/32/528084732.db2.gz YNNBOJJRPDGPBS-GFCCVEGCSA-N 0 0 319.752 0.721 50 0 DCAARN CC(C)n1cnnc1[C@H](C)NC(=O)c1ccn2nnnc2c1 ZINC000299791882 528646630 /nfs/dbraw/zinc/64/66/30/528646630.db2.gz GBQHDTQWKDHWPM-VIFPVBQESA-N 0 0 300.326 0.788 50 0 DCAARN O=S(=O)(NN1CCOCC1)c1cccc2nsnc21 ZINC000000212926 545641397 /nfs/dbraw/zinc/64/13/97/545641397.db2.gz BKALRHBLSMYFDA-UHFFFAOYSA-N 0 0 300.365 0.217 50 0 DCAARN O=C(CCCn1cncn1)N1CCN(CC(F)(F)F)CC1 ZINC000054149452 545657598 /nfs/dbraw/zinc/65/75/98/545657598.db2.gz ZCJNAHSCGAOATI-UHFFFAOYSA-N 0 0 305.304 0.765 50 0 DCAARN CCC(O)(CC)CNC(=O)C(=O)Nc1c(C)nn(C)c1OC ZINC000084727230 545702379 /nfs/dbraw/zinc/70/23/79/545702379.db2.gz HVBIITWURVNGNB-UHFFFAOYSA-N 0 0 312.370 0.343 50 0 DCAARN O=C(COc1ccccc1F)NC[C@@H](O)Cn1ccccc1=O ZINC000211127425 545937529 /nfs/dbraw/zinc/93/75/29/545937529.db2.gz ZYYCAIZSTRCJOV-GFCCVEGCSA-N 0 0 320.320 0.544 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N1CC(Oc2ccccc2F)C1 ZINC000215923665 545938924 /nfs/dbraw/zinc/93/89/24/545938924.db2.gz ZIUVQBFSEDUVFJ-SNVBAGLBSA-N 0 0 307.281 0.013 50 0 DCAARN Cc1cc(C)n(C)c(=O)c1C(=O)N(CCO)Cc1nccn1C ZINC000216059469 545939555 /nfs/dbraw/zinc/93/95/55/545939555.db2.gz MFUIQDJSDDIVBW-UHFFFAOYSA-N 0 0 318.377 0.370 50 0 DCAARN Cn1nnnc1SCCNC(=O)Cc1ccc2c(c1)OCO2 ZINC000222600187 545941854 /nfs/dbraw/zinc/94/18/54/545941854.db2.gz RUTUHXLJJOHCNY-UHFFFAOYSA-N 0 0 321.362 0.390 50 0 DCAARN CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)c1cccc2c1OCCC2 ZINC000585094212 546303349 /nfs/dbraw/zinc/30/33/49/546303349.db2.gz QUUJLFLHEVKQRJ-ZDUSSCGKSA-N 0 0 324.402 0.815 50 0 DCAARN O=C(CN1CCN2C(=O)OC[C@@H]2C1)N1CCOc2ccccc21 ZINC000670435790 547087969 /nfs/dbraw/zinc/08/79/69/547087969.db2.gz XKRSQVVXYIFSAE-LBPRGKRZSA-N 0 0 317.345 0.548 50 0 DCAARN CC1(C)SC[C@H](C(=O)NCCc2nc(C3CC3)no2)NC1=O ZINC000670446654 547095105 /nfs/dbraw/zinc/09/51/05/547095105.db2.gz JWGQJLDUQVLVTH-SECBINFHSA-N 0 0 324.406 0.616 50 0 DCAARN Cc1cnn(CC(=O)NC2CCN(C(=O)N3CCCC3)CC2)c1 ZINC000670447770 547095252 /nfs/dbraw/zinc/09/52/52/547095252.db2.gz NZWMDUFYZGQEPA-UHFFFAOYSA-N 0 0 319.409 0.988 50 0 DCAARN CCCN1C[C@H](NS(=O)(=O)c2ccc3[nH]cnc3c2)CC1=O ZINC000670457634 547097242 /nfs/dbraw/zinc/09/72/42/547097242.db2.gz NVMRCCRRUWIXQR-SNVBAGLBSA-N 0 0 322.390 0.852 50 0 DCAARN O=C(CCCn1cnnn1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000670455067 547097491 /nfs/dbraw/zinc/09/74/91/547097491.db2.gz LVTOIGHTFITJSL-LBPRGKRZSA-N 0 0 316.369 0.029 50 0 DCAARN CNC(=O)c1noc(CN(C)CCCn2nc(C)cc2C)n1 ZINC000670460366 547099116 /nfs/dbraw/zinc/09/91/16/547099116.db2.gz LPTPOCHSLAMFLO-UHFFFAOYSA-N 0 0 306.370 0.765 50 0 DCAARN Cc1n[nH]c([C@@H]2CCCN(c3cncc(C(=O)N(C)C)n3)C2)n1 ZINC000670467120 547100618 /nfs/dbraw/zinc/10/06/18/547100618.db2.gz IULPFKXLHMMVRG-LLVKDONJSA-N 0 0 315.381 0.989 50 0 DCAARN CCCN1C(=O)N[C@@H](CC(=O)NCC2(COC)CCC2)C1=O ZINC000670473298 547101457 /nfs/dbraw/zinc/10/14/57/547101457.db2.gz WOJBOYLVYAATGW-NSHDSACASA-N 0 0 311.382 0.640 50 0 DCAARN CN(C)C(=O)[C@H]1CC(=O)N(C2CN(c3ncc(Cl)cn3)C2)C1 ZINC000685941165 548746840 /nfs/dbraw/zinc/74/68/40/548746840.db2.gz UDBHNCXJZVRYPI-VIFPVBQESA-N 0 0 323.784 0.255 50 0 DCAARN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3ccc(C)o3)C2)C1 ZINC000685943096 548747816 /nfs/dbraw/zinc/74/78/16/548747816.db2.gz VTWKKMUXVYMKRT-JTQLQIEISA-N 0 0 305.334 0.007 50 0 DCAARN O=C(c1coc(CN2CC[C@H](O)C2)n1)N1CCOC(F)(F)C1 ZINC000685943953 548747967 /nfs/dbraw/zinc/74/79/67/548747967.db2.gz PMOBXSMCOAVIIJ-VIFPVBQESA-N 0 0 317.292 0.306 50 0 DCAARN Cc1ccoc1CC(=O)NC[C@H]1C[C@H](c2nncn2C)C[C@H]1O ZINC000685943294 548748016 /nfs/dbraw/zinc/74/80/16/548748016.db2.gz XXRITMOSCDYCCD-YNEHKIRRSA-N 0 0 318.377 0.930 50 0 DCAARN Cn1cnc(S(=O)(=O)NCCNC(=O)/C=C/c2ccco2)c1 ZINC000206632722 563623411 /nfs/dbraw/zinc/62/34/11/563623411.db2.gz KHFGQFCQXIOISC-SNAWJCMRSA-N 0 0 324.362 0.121 50 0 DCAARN COC(=O)N1CC(NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000179699003 658671890 /nfs/dbraw/zinc/67/18/90/658671890.db2.gz FXRJTAUPRUJCHP-UHFFFAOYSA-N 0 0 301.306 0.652 50 0 DCAARN CC(=O)N1CC[C@H](C(=O)Nc2cncnc2N2CCCC2)C1 ZINC000180489063 658977061 /nfs/dbraw/zinc/97/70/61/658977061.db2.gz QEBPAJGDDATCOZ-LBPRGKRZSA-N 0 0 303.366 0.884 50 0 DCAARN Cc1nc(CC(=O)N2CC[C@H](CS(N)(=O)=O)C2)cs1 ZINC000299755790 659634874 /nfs/dbraw/zinc/63/48/74/659634874.db2.gz CXVDGORTVFIRJZ-VIFPVBQESA-N 0 0 303.409 0.131 50 0 DCAARN CCO[C@@]1(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CCOC1 ZINC000585088627 661465204 /nfs/dbraw/zinc/46/52/04/661465204.db2.gz IESNJZPVTKARCR-YOEHRIQHSA-N 0 0 324.421 0.947 50 0 DCAARN C[C@@H]1C[C@H](NC(=O)NC[C@@H](O)COc2ccccc2)C(=O)O1 ZINC000874435595 665174818 /nfs/dbraw/zinc/17/48/18/665174818.db2.gz YTSCUYHPSAFCRZ-WZRBSPASSA-N 0 0 308.334 0.430 50 0 DCAARN CC(C)N1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccccn1 ZINC000012439757 666641504 /nfs/dbraw/zinc/64/15/04/666641504.db2.gz IFMLJJLRVIZADD-CQSZACIVSA-N 0 0 304.394 0.639 50 0 DCAARN O=C(CN1CCN(Cc2nc3ccccc3[nH]2)CC1)NC1CC1 ZINC000102674661 669212930 /nfs/dbraw/zinc/21/29/30/669212930.db2.gz CVPXGIYCYHRBKE-UHFFFAOYSA-N 0 0 313.405 0.959 50 0 DCAARN CCC(=O)N1CCC(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)CC1 ZINC000952962230 685597903 /nfs/dbraw/zinc/59/79/03/685597903.db2.gz BDGQPNSYGVVMCN-AWEZNQCLSA-N 0 0 316.423 0.328 50 0 DCAARN CCS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CC23CC3)CC1 ZINC000952978264 685600694 /nfs/dbraw/zinc/60/06/94/685600694.db2.gz XIIXGJZKESRNGD-LBPRGKRZSA-N 0 0 300.424 0.964 50 0 DCAARN O=C(NCC1CCN(C(=O)c2c[nH]cn2)CC1)C1CCOCC1 ZINC000952976671 685601021 /nfs/dbraw/zinc/60/10/21/685601021.db2.gz GECCCSVDNGBRMA-UHFFFAOYSA-N 0 0 320.393 0.805 50 0 DCAARN CCS(=O)(=O)CCNC(=O)CCN1CCCCCC1=O ZINC000952985137 685601651 /nfs/dbraw/zinc/60/16/51/685601651.db2.gz PGMIKVJJQURNLJ-UHFFFAOYSA-N 0 0 304.412 0.330 50 0 DCAARN CC1=C(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)OCCO1 ZINC000952987172 685602749 /nfs/dbraw/zinc/60/27/49/685602749.db2.gz KERZIVGIECXOCH-ZDUSSCGKSA-N 0 0 321.377 0.970 50 0 DCAARN COc1cn(C)nc1[C@@H](C)[N-]S(=O)(=O)c1c(C)onc1N ZINC000952995024 685603313 /nfs/dbraw/zinc/60/33/13/685603313.db2.gz AKQSETUWDJYLCM-ZCFIWIBFSA-N 0 0 315.355 0.347 50 0 DCAARN Cc1cc(C(=O)N2C[C@@H](O)[C@H](F)C2)ccc1N1CCOCC1 ZINC000952992153 685602904 /nfs/dbraw/zinc/60/29/04/685602904.db2.gz XWULYTROUXKLQN-UKRRQHHQSA-N 0 0 308.353 0.986 50 0 DCAARN CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(Cc3ccccn3)CCN2C1=O ZINC000014742270 685048715 /nfs/dbraw/zinc/04/87/15/685048715.db2.gz JKSLDXIJUBWIGB-CFVMTHIKSA-N 0 0 316.405 0.639 50 0 DCAARN Cc1nonc1OCCNC(=O)[C@@H]1Cc2ccccc2CN1C ZINC000065462818 685064464 /nfs/dbraw/zinc/06/44/64/685064464.db2.gz AEBMBKQSYAOPSK-AWEZNQCLSA-N 0 0 316.361 0.930 50 0 DCAARN Cc1ccc2c(c1)CCCN2C(=O)CN[C@H](C(N)=O)[C@@H](C)O ZINC000065405925 685064590 /nfs/dbraw/zinc/06/45/90/685064590.db2.gz GUKLRTIEJJFLFQ-ABAIWWIYSA-N 0 0 305.378 0.099 50 0 DCAARN CCc1ccc(S(=O)(=O)NC[C@@H]2CN(C)C(=O)CO2)cc1 ZINC000074772922 685077051 /nfs/dbraw/zinc/07/70/51/685077051.db2.gz YJXOYTGYXKYBQN-GFCCVEGCSA-N 0 0 312.391 0.385 50 0 DCAARN Cn1c2ccccc2sc1=NC(=O)CN1C(=O)CCC1=O ZINC000254560514 685188150 /nfs/dbraw/zinc/18/81/50/685188150.db2.gz WZIJJUMQBBYZJI-UHFFFAOYSA-N 0 0 303.343 0.816 50 0 DCAARN CS(=O)(=O)c1ccc(CN2CCC([C@@H](O)CO)CC2)cc1 ZINC001772700335 1157840774 /nfs/dbraw/zinc/84/07/74/1157840774.db2.gz BWNBFHRLWRFAHU-HNNXBMFYSA-N 0 0 313.419 0.655 50 0 DCAARN CCc1c(C)nn(CC(=O)N2CCC([C@H](O)CO)CC2)c1C ZINC001772701656 1157840796 /nfs/dbraw/zinc/84/07/96/1157840796.db2.gz LYRJUIMNLBQNFF-OAHLLOKOSA-N 0 0 309.410 0.654 50 0 DCAARN COc1c[nH]c(C(=O)N(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)cc1=O ZINC001704299701 1179964190 /nfs/dbraw/zinc/96/41/90/1179964190.db2.gz QKERCYVCQBTCST-OUAUKWLOSA-N 0 0 319.361 0.370 50 0 DCAARN COc1cc(N2C[C@H](O)[C@H](Cc3ccncc3)C2)nc(OC)n1 ZINC001704313687 1179969681 /nfs/dbraw/zinc/96/96/81/1179969681.db2.gz NEEBORLRFQHMIA-OLZOCXBDSA-N 0 0 316.361 0.929 50 0 DCAARN CC(=O)c1cnc(N2CCN(CC(=O)NC(C)C)CC2)nc1C ZINC001704314910 1179970991 /nfs/dbraw/zinc/97/09/91/1179970991.db2.gz XZZBBBOJMWVLDB-UHFFFAOYSA-N 0 0 319.409 0.634 50 0 DCAARN COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)N(C)C3)c(OC)n1 ZINC001704331045 1179975563 /nfs/dbraw/zinc/97/55/63/1179975563.db2.gz MXNHGMOTJUGDDY-NEPJUHHUSA-N 0 0 321.377 0.501 50 0 DCAARN Cc1nc(CN(CCO)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c[nH]1 ZINC001704329205 1179975589 /nfs/dbraw/zinc/97/55/89/1179975589.db2.gz ORHXDWYYFUYQAH-GFCCVEGCSA-N 0 0 322.409 0.686 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)C[C@@H]2O)[nH]n1 ZINC001704344974 1179980772 /nfs/dbraw/zinc/98/07/72/1179980772.db2.gz RWZGDGUMZJZCDN-ABAIWWIYSA-N 0 0 315.377 0.994 50 0 DCAARN Cc1nn(C)cc1C[NH+]1CCC2(CC1)[C@H](C(=O)[O-])CC(=O)N2C ZINC001704348741 1179981558 /nfs/dbraw/zinc/98/15/58/1179981558.db2.gz BJQWMXUOZKOGHZ-ZDUSSCGKSA-N 0 0 320.393 0.626 50 0 DCAARN CCCc1nnc(NC(=O)CN(C)C[C@@H]2COCCO2)s1 ZINC001704356141 1179984458 /nfs/dbraw/zinc/98/44/58/1179984458.db2.gz WBRVFEMGGYMUTP-SNVBAGLBSA-N 0 0 314.411 0.776 50 0 DCAARN CC(=O)N1CCC([C@H]2CCN(C(=O)CN3CCOCC3)C2)CC1 ZINC000581800454 747971735 /nfs/dbraw/zinc/97/17/35/747971735.db2.gz KNWMAUKHRUSKOC-INIZCTEOSA-N 0 0 323.437 0.426 50 0 DCAARN CN1C[C@H](O)C[C@H]1c1nnc2n1CCN(Cc1ccoc1)C2 ZINC000675010030 748025386 /nfs/dbraw/zinc/02/53/86/748025386.db2.gz GSNCVSBAXYEUFY-OLZOCXBDSA-N 0 0 303.366 0.624 50 0 DCAARN COc1ccc(C(=O)N2CC(n3cc(CO)nn3)C2)cc1F ZINC000675018308 748026835 /nfs/dbraw/zinc/02/68/35/748026835.db2.gz PGXDLTIRGFQCCE-UHFFFAOYSA-N 0 0 306.297 0.615 50 0 DCAARN CN(CCO)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000675030201 748029026 /nfs/dbraw/zinc/02/90/26/748029026.db2.gz UIUMNMJGPZCWOX-UHFFFAOYSA-N 0 0 320.754 0.284 50 0 DCAARN CCCn1cc(S(=O)(=O)N2CC[C@@H](CC(=O)NC)C2)cn1 ZINC000823033453 758220564 /nfs/dbraw/zinc/22/05/64/758220564.db2.gz VPMPCTSBIYMSJK-NSHDSACASA-N 0 0 314.411 0.440 50 0 DCAARN CCCn1cc(S(=O)(=O)NC[C@H]2CC(=O)N(C)C2)cn1 ZINC000823033297 758220731 /nfs/dbraw/zinc/22/07/31/758220731.db2.gz PPMMRAJVTSBCFT-SNVBAGLBSA-N 0 0 300.384 0.050 50 0 DCAARN Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3nnc[nH]3)C2)c(=O)n1 ZINC000827928148 758901538 /nfs/dbraw/zinc/90/15/38/758901538.db2.gz SLBLYZYYEXUSOY-GFCCVEGCSA-N 0 0 316.365 0.384 50 0 DCAARN O=C(CCn1cncn1)N[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000828013101 758909700 /nfs/dbraw/zinc/90/97/00/758909700.db2.gz PPUDCEKEGCDAIT-GFCCVEGCSA-N 0 0 317.349 0.682 50 0 DCAARN CN(Cc1ccccc1)S(=O)(=O)NC[C@@H]1CC(=O)N(C)C1 ZINC000828248274 758964099 /nfs/dbraw/zinc/96/40/99/758964099.db2.gz VNXVAYZATQXTND-ZDUSSCGKSA-N 0 0 311.407 0.431 50 0 DCAARN COCC(=O)N1CC[C@@H]2COCCN(Cc3cccnc3)[C@@H]2C1 ZINC000581781497 760248504 /nfs/dbraw/zinc/24/85/04/760248504.db2.gz JHBKRWOQVIULPU-HZPDHXFCSA-N 0 0 319.405 0.777 50 0 DCAARN CCCS(=O)(=O)N1CCC(=O)N(CC)C2(CCOCC2)C1 ZINC000581801782 760250747 /nfs/dbraw/zinc/25/07/47/760250747.db2.gz JRDQHTOIKIPDKS-UHFFFAOYSA-N 0 0 318.439 0.830 50 0 DCAARN COCC(=O)N1CCOc2ccc(CN3CCOCC3)cc2C1 ZINC000581820009 760256637 /nfs/dbraw/zinc/25/66/37/760256637.db2.gz VLEFMETWWURSBO-UHFFFAOYSA-N 0 0 320.389 0.886 50 0 DCAARN CC(C)N1C(=O)C2(CCCC2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000581821435 760256660 /nfs/dbraw/zinc/25/66/60/760256660.db2.gz CNJUJUGCVVCUPZ-AWEZNQCLSA-N 0 0 323.437 0.614 50 0 DCAARN COc1cc(N2CCC3(C[C@H](C(=O)[O-])[N@H+](C)C3)CC2)nc(N)n1 ZINC000219566154 766270796 /nfs/dbraw/zinc/27/07/96/766270796.db2.gz NMOVACPPRTXYAA-SNVBAGLBSA-N 0 0 321.381 0.443 50 0 DCAARN CO[C@H]1COCC[C@H]1N1CCN(C(=O)c2c[nH]cc2C)CC1 ZINC000585087950 766275253 /nfs/dbraw/zinc/27/52/53/766275253.db2.gz DCKZIBIBEKKBGO-CABCVRRESA-N 0 0 307.394 0.885 50 0 DCAARN C[C@@H](CC(=O)N1C[C@@H](O)[C@@H](O)[C@@H](O)C1)Cc1cccc(F)c1 ZINC000585127736 766289803 /nfs/dbraw/zinc/28/98/03/766289803.db2.gz ICBSSZIMWJXKNY-HPAJIGNASA-N 0 0 311.353 0.319 50 0 DCAARN O=C(OC1CCC1)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 ZINC000585135169 766291948 /nfs/dbraw/zinc/29/19/48/766291948.db2.gz CPFIWJIIVFTXQY-ZDUSSCGKSA-N 0 0 316.423 0.870 50 0 DCAARN CCN(CCn1cccn1)S(=O)(=O)N1CCC[C@H]1COC ZINC000952872137 768934461 /nfs/dbraw/zinc/93/44/61/768934461.db2.gz KSPVVVVOEPILNU-ZDUSSCGKSA-N 0 0 316.427 0.561 50 0 DCAARN O=C(OCC(F)(F)F)N1CC2(C1)CC(=O)Nc1nccn12 ZINC000952880988 768947983 /nfs/dbraw/zinc/94/79/83/768947983.db2.gz JJTXDGUEWXAWAR-UHFFFAOYSA-N 0 0 304.228 0.935 50 0 DCAARN O=C(CNc1ccc(C(=O)N2CCOCC2)cn1)N1CCCC1 ZINC001529125607 1014501514 /nfs/dbraw/zinc/50/15/14/1014501514.db2.gz QYSIIDOLECNDEB-UHFFFAOYSA-N 0 0 318.377 0.588 50 0 DCAARN CN(Cc1ccon1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC001529174468 1014512566 /nfs/dbraw/zinc/51/25/66/1014512566.db2.gz VEMXPEBCODIHJN-CABCVRRESA-N 0 0 315.329 0.889 50 0 DCAARN CC1(C)S[C@@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)N[C@@H]1C(=O)[O-] ZINC001529490666 1014557916 /nfs/dbraw/zinc/55/79/16/1014557916.db2.gz PIIGZYMBHCDKIJ-SDDRHHMPSA-N 0 0 323.418 0.697 50 0 DCAARN Nc1nc2c(c(C(=O)N3CCN4C(=O)OC[C@H]4C3)n1)CCCC2 ZINC001506398363 1017253160 /nfs/dbraw/zinc/25/31/60/1017253160.db2.gz PKLNAARVHFYJMI-SECBINFHSA-N 0 0 317.349 0.214 50 0 DCAARN CC1=C(C(=O)NCc2nnnn2-c2ccccc2)OCCO1 ZINC001506406338 1017258518 /nfs/dbraw/zinc/25/85/18/1017258518.db2.gz HAYXGYBYYMKBSB-UHFFFAOYSA-N 0 0 301.306 0.557 50 0 DCAARN COC(=O)CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095480971 185373756 /nfs/dbraw/zinc/37/37/56/185373756.db2.gz ONFSTPFJTDDMNV-VIFPVBQESA-N 0 0 316.317 0.205 50 0 DCAARN COC(=O)CNC(=O)N1CCN(CCc2ccccn2)CC1 ZINC000095481227 185373838 /nfs/dbraw/zinc/37/38/38/185373838.db2.gz PMKBJUJSLVJSKE-UHFFFAOYSA-N 0 0 306.366 0.124 50 0 DCAARN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000225410828 201703618 /nfs/dbraw/zinc/70/36/18/201703618.db2.gz MJLUOQDXFYOWGS-GJQVQUKXSA-N 0 0 324.352 0.787 50 0 DCAARN O=C(Nc1ccnn1Cc1ccco1)N1CCOC[C@@H](O)C1 ZINC000095529517 185378758 /nfs/dbraw/zinc/37/87/58/185378758.db2.gz NFZGGAFOCOCMCE-NSHDSACASA-N 0 0 306.322 0.749 50 0 DCAARN Cc1nnc([C@H]2CN(CC(=O)Nc3c(C)n[nH]c3C)CCO2)[nH]1 ZINC000078892489 185124399 /nfs/dbraw/zinc/12/43/99/185124399.db2.gz WTUGNJIEEKZSOM-LLVKDONJSA-N 0 0 319.369 0.465 50 0 DCAARN Cn1cc(/C=C/C(=O)NCCNS(C)(=O)=O)c2ccccc21 ZINC000079439276 185171544 /nfs/dbraw/zinc/17/15/44/185171544.db2.gz OXMKERXDQVGBMS-BQYQJAHWSA-N 0 0 321.402 0.857 50 0 DCAARN Cn1cc(NC(=O)Cn2ccc3c(cnc4ccnn43)c2=O)cn1 ZINC000079477708 185173187 /nfs/dbraw/zinc/17/31/87/185173187.db2.gz OBYKEFWDEGVPSN-UHFFFAOYSA-N 0 0 323.316 0.416 50 0 DCAARN CC[C@]1(C(C)C)NC(=O)N(CCCNS(=O)(=O)CC)C1=O ZINC000089948077 185270734 /nfs/dbraw/zinc/27/07/34/185270734.db2.gz ZDUIMXWGXPATAI-CYBMUJFWSA-N 0 0 319.427 0.672 50 0 DCAARN Cc1ccc(N2CCN(C(=O)CN3CCOCC3)CC2=O)cc1 ZINC000082097699 192354484 /nfs/dbraw/zinc/35/44/84/192354484.db2.gz SQULIUCWDGKMNL-UHFFFAOYSA-N 0 0 317.389 0.502 50 0 DCAARN C[C@@H](C(=O)N1CCN(c2ccccc2)C(=O)C1)N1CCCC1=O ZINC000082096536 192355332 /nfs/dbraw/zinc/35/53/32/192355332.db2.gz AOUREQCLDJEEGK-ZDUSSCGKSA-N 0 0 315.373 0.873 50 0 DCAARN Cn1cnnc1SCCNC(=O)c1cc2n(n1)CCCO2 ZINC000090626504 185307193 /nfs/dbraw/zinc/30/71/93/185307193.db2.gz NEZYVYHVSSGGSO-UHFFFAOYSA-N 0 0 308.367 0.316 50 0 DCAARN Cc1cc(C)c(C(=O)N2CCN(c3ncccn3)CC2)c(=O)[nH]1 ZINC000082115387 192357927 /nfs/dbraw/zinc/35/79/27/192357927.db2.gz QDJSLIGZDKBJFQ-UHFFFAOYSA-N 0 0 313.361 0.744 50 0 DCAARN Cc1nonc1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1CCC1 ZINC000082120195 192358620 /nfs/dbraw/zinc/35/86/20/192358620.db2.gz JTSVNCBTWFHGQM-RYUDHWBXSA-N 0 0 324.356 0.776 50 0 DCAARN O=C([C@H]1CC(=O)N(Cc2ccncc2)C1)N1CCC(O)CC1 ZINC000095389112 185351330 /nfs/dbraw/zinc/35/13/30/185351330.db2.gz IDTQKUWBFBNEFJ-ZDUSSCGKSA-N 0 0 303.362 0.413 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1ncon1 ZINC000095453158 185369422 /nfs/dbraw/zinc/36/94/22/185369422.db2.gz MPLWXWQOIQKDCX-VHSXEESVSA-N 0 0 316.383 0.451 50 0 DCAARN CN1CCCN(C(=O)[C@H](Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000095442124 185366570 /nfs/dbraw/zinc/36/65/70/185366570.db2.gz DHSRKRDKCJZWPA-HNNXBMFYSA-N 0 0 324.446 0.806 50 0 DCAARN CNC(=O)NCC(=O)N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000331890573 529884426 /nfs/dbraw/zinc/88/44/26/529884426.db2.gz PLQSXNMWRLUIGT-VIFPVBQESA-N 0 0 310.320 0.258 50 0 DCAARN CN(CCN1C(=O)CNC1=O)Cc1nc2ccccc2n1C ZINC000083243198 192367254 /nfs/dbraw/zinc/36/72/54/192367254.db2.gz LIYVUWRBDWNIBR-UHFFFAOYSA-N 0 0 301.350 0.557 50 0 DCAARN CCOc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ncn1 ZINC000225530996 201725596 /nfs/dbraw/zinc/72/55/96/201725596.db2.gz ZMOWHNRKLYYQSA-UHFFFAOYSA-N 0 0 322.346 0.775 50 0 DCAARN COCCOc1ccc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)cc1 ZINC000286725684 219130777 /nfs/dbraw/zinc/13/07/77/219130777.db2.gz GNTXJQMHPOEPQA-YPMHNXCESA-N 0 0 310.325 0.750 50 0 DCAARN CNS(=O)(=O)CC(=O)N1C[C@H](C)CN(C)c2ccccc21 ZINC000175218189 290739032 /nfs/dbraw/zinc/73/90/32/290739032.db2.gz VMWIIRVRNWRXGQ-LLVKDONJSA-N 0 0 311.407 0.655 50 0 DCAARN Cc1cc(C)n(CCCNC(=O)CNC(=O)c2ccn(C)n2)n1 ZINC000226743593 201784276 /nfs/dbraw/zinc/78/42/76/201784276.db2.gz UJUIPNLNNINEGF-UHFFFAOYSA-N 0 0 318.381 0.170 50 0 DCAARN CN1Cc2ccc(NC(=O)[C@@H]3CSCCC(=O)N3)cc2C1=O ZINC000226753291 201785856 /nfs/dbraw/zinc/78/58/56/201785856.db2.gz XFMOGZZAIUSSGD-LBPRGKRZSA-N 0 0 319.386 0.832 50 0 DCAARN C[C@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@@H](c2ccccc2)O1 ZINC000229668519 201845187 /nfs/dbraw/zinc/84/51/87/201845187.db2.gz FXBVAKBWISAFTR-ZFWWWQNUSA-N 0 0 317.389 0.407 50 0 DCAARN Cc1nnnn1-c1cc(NC(=O)N2CCOCC2)ccc1F ZINC000069716736 190807673 /nfs/dbraw/zinc/80/76/73/190807673.db2.gz HBBKIOUIKSXLHO-UHFFFAOYSA-N 0 0 306.301 0.974 50 0 DCAARN CNC(=O)COc1ccc(NCC(=O)N2CCOCC2)cc1 ZINC000069774933 190816121 /nfs/dbraw/zinc/81/61/21/190816121.db2.gz RCARURZKAJOPMA-UHFFFAOYSA-N 0 0 307.350 0.082 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)OC[C@@H]1COc3ccccc3[C@@H]21 ZINC000001401553 282557439 /nfs/dbraw/zinc/55/74/39/282557439.db2.gz FZDZCSYWZKEFFE-CABZTGNLSA-N 0 0 300.314 0.617 50 0 biogenic DCAARN Cn1c2nc3n(c2c(=O)[nH]c1=O)CCCN3c1ccc(O)cc1 ZINC000012422041 282608650 /nfs/dbraw/zinc/60/86/50/282608650.db2.gz MZEDXRUTSUWUMJ-UHFFFAOYSA-N 0 0 313.317 0.671 50 0 biogenic DCAARN COCCOc1ccc(NC(=O)NCc2cncnc2N)cn1 ZINC000083911848 192390132 /nfs/dbraw/zinc/39/01/32/192390132.db2.gz LHDXJPJOZCDXLQ-UHFFFAOYSA-N 0 0 318.337 0.801 50 0 DCAARN COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC(=O)CO ZINC000071707829 191010865 /nfs/dbraw/zinc/01/08/65/191010865.db2.gz HVXBIZVUTMVLHV-UHFFFAOYSA-N 0 0 319.361 0.597 50 0 DCAARN Cc1cc(C2CCC2)nc(N[C@@H]2C[C@H]3C(=O)NCC(=O)N3C2)n1 ZINC000071753344 191023586 /nfs/dbraw/zinc/02/35/86/191023586.db2.gz OZIHETBXECOPPC-YPMHNXCESA-N 0 0 315.377 0.564 50 0 DCAARN O=C(C(O)C(F)(F)F)N1CCN(C2CCCCC2)C(=O)C1 ZINC000071755536 191024544 /nfs/dbraw/zinc/02/45/44/191024544.db2.gz JMMCQNOUYHCETK-NSHDSACASA-N 0 0 308.300 0.913 50 0 DCAARN CNC(=O)[C@H](C)N(C)C(=O)c1cc2c(n(C)c1=O)CCCC2 ZINC000071770938 191030456 /nfs/dbraw/zinc/03/04/56/191030456.db2.gz CUCNDXDOEQZYAP-JTQLQIEISA-N 0 0 305.378 0.471 50 0 DCAARN Cc1nc2nc(N)nn2c(C)c1CC(=O)NCC(F)(F)F ZINC000138309771 186015596 /nfs/dbraw/zinc/01/55/96/186015596.db2.gz RVEUHEZWUZQSRZ-UHFFFAOYSA-N 0 0 302.260 0.544 50 0 DCAARN CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)C)cc1 ZINC000072125273 191042175 /nfs/dbraw/zinc/04/21/75/191042175.db2.gz PQYLEKPFSDGXER-HNNXBMFYSA-N 0 0 319.405 0.864 50 0 DCAARN Cc1nnnn1[C@H](C(=O)N1CCn2cncc2C1)c1ccccc1 ZINC000072144348 191050439 /nfs/dbraw/zinc/05/04/39/191050439.db2.gz QVLSYSNJPJEMRY-HNNXBMFYSA-N 0 0 323.360 0.810 50 0 DCAARN CNC(=O)C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1OC ZINC000072146302 191053220 /nfs/dbraw/zinc/05/32/20/191053220.db2.gz HORHOWMMQWZYJM-DYLGSBMWSA-N 0 0 317.389 0.645 50 0 DCAARN O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1cn[nH]n1 ZINC000072147562 191053252 /nfs/dbraw/zinc/05/32/52/191053252.db2.gz MBDNJBJGASHWEN-ZDUSSCGKSA-N 0 0 302.338 0.003 50 0 DCAARN O=C(CCOc1ccccc1)N1CCNC[C@H]1C(=O)NC1CC1 ZINC000072150694 191055954 /nfs/dbraw/zinc/05/59/54/191055954.db2.gz AVHJBKNORPSOAO-HNNXBMFYSA-N 0 0 317.389 0.535 50 0 DCAARN O=C([C@H]1CN(c2ncnc3[nH]ccc32)CCN1)N1CCCC1 ZINC000072153133 191056904 /nfs/dbraw/zinc/05/69/04/191056904.db2.gz MSTTXQBGLHHGOL-GFCCVEGCSA-N 0 0 300.366 0.359 50 0 DCAARN O=C(c1ccc(Cn2cccn2)o1)N1CCC[C@](O)(CO)CC1 ZINC000072153616 191057540 /nfs/dbraw/zinc/05/75/40/191057540.db2.gz ZOTAMQGFAIONDH-MRXNPFEDSA-N 0 0 319.361 0.874 50 0 DCAARN CNc1nc(C(=O)N2CCNC[C@H]2C(=O)N2CCCC2)cs1 ZINC000072138821 191048642 /nfs/dbraw/zinc/04/86/42/191048642.db2.gz FUEVFNFNSPLHQT-NSHDSACASA-N 0 0 323.422 0.221 50 0 DCAARN Cn1ncc(N2CCO[C@@H](CCNC(=O)C(C)(C)C)C2)cc1=O ZINC000072161893 191062258 /nfs/dbraw/zinc/06/22/58/191062258.db2.gz JXVRDTJFKUVOIZ-ZDUSSCGKSA-N 0 0 322.409 0.538 50 0 DCAARN O=S(=O)(NCc1ccccc1)N[C@H]1CCc2n[nH]cc2C1 ZINC000072163168 191063973 /nfs/dbraw/zinc/06/39/73/191063973.db2.gz PNKYIVHVVNYFHQ-ZDUSSCGKSA-N 0 0 306.391 0.891 50 0 DCAARN CC(C)CC(=O)NCC[C@@H]1CN(c2cnn(C)c(=O)c2)CCO1 ZINC000072168036 191066245 /nfs/dbraw/zinc/06/62/45/191066245.db2.gz KNCXCRCTZMEEMJ-CQSZACIVSA-N 0 0 322.409 0.538 50 0 DCAARN O=C(c1cn[nH]n1)N1CCN(Cc2ccoc2)[C@@H](CCO)C1 ZINC000072169921 191068494 /nfs/dbraw/zinc/06/84/94/191068494.db2.gz SQXOZHPKHILNAC-LBPRGKRZSA-N 0 0 305.338 0.107 50 0 DCAARN CN1C[C@]2(CCN(C(=O)c3c4c(nn3C)CCCC4)C2)OC1=O ZINC000072170397 191068568 /nfs/dbraw/zinc/06/85/68/191068568.db2.gz CJHSGBDUMWQANH-INIZCTEOSA-N 0 0 318.377 0.966 50 0 DCAARN COCc1nc2c(cnn2C)c(N(C)Cc2nccn2C)n1 ZINC000072161648 191062109 /nfs/dbraw/zinc/06/21/09/191062109.db2.gz RWHORTUDGPMBTC-UHFFFAOYSA-N 0 0 301.354 0.880 50 0 DCAARN CC(C)CN1CCN(CC(=O)Nc2cnn(C)c2)[C@@H](C)C1=O ZINC000072159293 191062121 /nfs/dbraw/zinc/06/21/21/191062121.db2.gz MJAPQEHPHWNTMW-LBPRGKRZSA-N 0 0 307.398 0.547 50 0 DCAARN O=[S@@](CCN1CCO[C@H](Cn2cncn2)C1)c1ccccc1 ZINC000072253385 191087689 /nfs/dbraw/zinc/08/76/89/191087689.db2.gz LHCXILIVVDTNIW-RCDICMHDSA-N 0 0 320.418 0.787 50 0 DCAARN NC(=O)C(NC(=O)CC1CCC(c2ccccc2)CC1)C(N)=O ZINC000072273249 191096032 /nfs/dbraw/zinc/09/60/32/191096032.db2.gz CCUKTERWMDROON-UHFFFAOYSA-N 0 0 317.389 0.806 50 0 DCAARN O=C(CCn1cncn1)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000072281136 191100882 /nfs/dbraw/zinc/10/08/82/191100882.db2.gz QIRKBBGATQFSBI-LBPRGKRZSA-N 0 0 317.324 0.729 50 0 DCAARN COc1c(C(=O)N2CCC[C@@H](n3cncn3)C2)c(C)nn1C ZINC000072281087 191101429 /nfs/dbraw/zinc/10/14/29/191101429.db2.gz YGHNDULTPGYAPG-LLVKDONJSA-N 0 0 304.354 0.806 50 0 DCAARN C[C@H](CS(C)(=O)=O)NC(=O)c1cc(Br)c[nH]1 ZINC000072282310 191103049 /nfs/dbraw/zinc/10/30/49/191103049.db2.gz ZTTYMQIXKBCJGP-ZCFIWIBFSA-N 0 0 309.185 0.940 50 0 DCAARN C[C@@H]1CNCCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000237461021 186292923 /nfs/dbraw/zinc/29/29/23/186292923.db2.gz TZYOVBGAORBXOP-CYBMUJFWSA-N 0 0 320.418 0.914 50 0 DCAARN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2C(=O)Cc2cnn(C)c2)O1 ZINC000253392782 186303637 /nfs/dbraw/zinc/30/36/37/186303637.db2.gz RVVWRGOKKNGJGG-ZZVYKPCYSA-N 0 0 321.377 0.673 50 0 DCAARN CS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000253394979 186304096 /nfs/dbraw/zinc/30/40/96/186304096.db2.gz RXSHQLIMLOSTRK-CMPLNLGQSA-N 0 0 310.375 0.949 50 0 DCAARN COc1cc(CC(=O)N2CC(OCC(=O)N(C)C)C2)ccc1C ZINC000072313202 191119490 /nfs/dbraw/zinc/11/94/90/191119490.db2.gz JWSXQLPHNDOKTF-UHFFFAOYSA-N 0 0 320.389 0.862 50 0 DCAARN NC(=O)[C@H](CO)Nc1cc(-c2ccc(F)cc2)nc2ccnn21 ZINC000072407095 191152799 /nfs/dbraw/zinc/15/27/99/191152799.db2.gz JGJQWYBNEMPMRR-LBPRGKRZSA-N 0 0 315.308 0.794 50 0 DCAARN CC(=O)N1CCN(C(=O)C2(n3cnnn3)CCCCC2)CC1 ZINC000072404963 191151764 /nfs/dbraw/zinc/15/17/64/191151764.db2.gz SYTHDGMZMQPBAQ-UHFFFAOYSA-N 0 0 306.370 0.023 50 0 DCAARN Cc1nn(C)c(C)c1CNC(=O)c1cccc(-n2cnnn2)c1 ZINC000072405784 191152023 /nfs/dbraw/zinc/15/20/23/191152023.db2.gz UTIAZEFVWCBFHY-UHFFFAOYSA-N 0 0 311.349 0.943 50 0 DCAARN COc1ccc(OC2CCN(C(=O)CNC(N)=O)CC2)cc1 ZINC000072426743 191161014 /nfs/dbraw/zinc/16/10/14/191161014.db2.gz CKWAGNNMRIQDFN-UHFFFAOYSA-N 0 0 307.350 0.733 50 0 DCAARN CCOC(=O)N1CCOC[C@H]1CC(=O)N(C)Cc1ccon1 ZINC000072433068 191165082 /nfs/dbraw/zinc/16/50/82/191165082.db2.gz UEMMHVAWOUZYTF-GFCCVEGCSA-N 0 0 311.338 0.880 50 0 DCAARN CC[C@@]1(O)CCN(C(=O)Cn2nc3ccccc3n2)C[C@H]1O ZINC000072436334 191166785 /nfs/dbraw/zinc/16/67/85/191166785.db2.gz NLDHFUMMXKVBNB-UKRRQHHQSA-N 0 0 304.350 0.166 50 0 DCAARN CN(Cc1cccc2ncccc12)C(=O)C[C@H]1NC(=O)NC1=O ZINC000072475612 191176532 /nfs/dbraw/zinc/17/65/32/191176532.db2.gz GPXMFCOUYFVMOP-CYBMUJFWSA-N 0 0 312.329 0.791 50 0 DCAARN CC1=NO[C@H](C(=O)NCc2cc(N3CCOCC3)ncn2)C1 ZINC000072474417 191177442 /nfs/dbraw/zinc/17/74/42/191177442.db2.gz YIRLWMFHLRLZAX-LBPRGKRZSA-N 0 0 305.338 0.094 50 0 DCAARN O=C(CO)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072479497 191179025 /nfs/dbraw/zinc/17/90/25/191179025.db2.gz PKDDCEHVYOBONI-KRWDZBQOSA-N 0 0 317.389 0.805 50 0 DCAARN COc1cc(NC(=O)CSc2nnnn2C)cc(OC)c1 ZINC000000795856 180832956 /nfs/dbraw/zinc/83/29/56/180832956.db2.gz IBIOCUQTFWSJMS-UHFFFAOYSA-N 0 0 309.351 0.958 50 0 DCAARN COC[C@H](C)NC(=O)CSc1nnnn1-c1ccc(O)cc1 ZINC000003459001 181023121 /nfs/dbraw/zinc/02/31/21/181023121.db2.gz JLTFGJGMMFAWNV-VIFPVBQESA-N 0 0 323.378 0.611 50 0 DCAARN C[C@]1(C(=O)N2CCN(S(C)(=O)=O)CC2)CC1(Cl)Cl ZINC000003613260 181040978 /nfs/dbraw/zinc/04/09/78/181040978.db2.gz KUVJLSUTSXDJDK-SECBINFHSA-N 0 0 315.222 0.674 50 0 DCAARN COC(=O)Cc1cc(OC)c(OC)cc1S(=O)(=O)N(C)C ZINC000004091900 181072249 /nfs/dbraw/zinc/07/22/49/181072249.db2.gz ZCUPPGJWZBGTLP-UHFFFAOYSA-N 0 0 317.363 0.670 50 0 DCAARN CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000004153116 181079105 /nfs/dbraw/zinc/07/91/05/181079105.db2.gz VKEWVQNWMHDTCL-UHFFFAOYSA-N 0 0 318.420 0.343 50 0 DCAARN CCN(CC)C(=O)CSc1nnc2[nH]c(=O)c(C)c(C)n21 ZINC000004250425 181087892 /nfs/dbraw/zinc/08/78/92/181087892.db2.gz GQBZYUJXFHWTKH-UHFFFAOYSA-N 0 0 309.395 0.995 50 0 DCAARN CCN1CCN(CC(=O)Nc2cccc(C)c2C)C(=O)C1=O ZINC000004326255 181098262 /nfs/dbraw/zinc/09/82/62/181098262.db2.gz HCRVOEGBQPDWNW-UHFFFAOYSA-N 0 0 303.362 0.933 50 0 DCAARN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004505312 181117125 /nfs/dbraw/zinc/11/71/25/181117125.db2.gz YFFJPXLKPZODIB-SNVBAGLBSA-N 0 0 319.404 0.503 50 0 DCAARN CC1(C)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O ZINC000004516691 181118434 /nfs/dbraw/zinc/11/84/34/181118434.db2.gz XJMAFNXBFBFAHU-UHFFFAOYSA-N 0 0 307.325 0.815 50 0 DCAARN CC(C)OCCCNC(=O)CCC(=O)NC[C@H]1CCCO1 ZINC000004616654 181130011 /nfs/dbraw/zinc/13/00/11/181130011.db2.gz VXOJGFPNBSMLAZ-CYBMUJFWSA-N 0 0 300.399 0.993 50 0 DCAARN CCOc1cccc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000004749582 181147553 /nfs/dbraw/zinc/14/75/53/181147553.db2.gz VZBTXGIINKWGQY-UHFFFAOYSA-N 0 0 312.391 0.803 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1F ZINC000004788372 181152550 /nfs/dbraw/zinc/15/25/50/181152550.db2.gz DLTVCOKPGGIECU-UHFFFAOYSA-N 0 0 316.354 0.720 50 0 DCAARN O=C(CNC(=O)Cc1ccccc1)NCC(=O)N1CCCCC1 ZINC000004832296 181158577 /nfs/dbraw/zinc/15/85/77/181158577.db2.gz BVHJNWRGWDQVHU-UHFFFAOYSA-N 0 0 317.389 0.474 50 0 DCAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCOCC1 ZINC000004832498 181158587 /nfs/dbraw/zinc/15/85/87/181158587.db2.gz RIOFTPJWXPVLHW-UHFFFAOYSA-N 0 0 317.139 0.631 50 0 DCAARN C[C@H](C(=O)Nc1ccon1)N1C(=O)c2ccccc2S1(=O)=O ZINC000004940831 181176325 /nfs/dbraw/zinc/17/63/25/181176325.db2.gz JGZQRRVYRYRMHT-MRVPVSSYSA-N 0 0 321.314 0.846 50 0 DCAARN CCCCNC(=O)CN(C)C(=O)c1nnc2nc(C)ccn21 ZINC000426656970 535281142 /nfs/dbraw/zinc/28/11/42/535281142.db2.gz PIIOSTYUSQZZFL-UHFFFAOYSA-N 0 0 304.354 0.421 50 0 DCAARN O=C(C[C@@H]1OCCN(CCO)C1=O)Nc1ccc(Cl)cc1 ZINC000074941377 191392714 /nfs/dbraw/zinc/39/27/14/191392714.db2.gz YCWINASLPSEYTD-LBPRGKRZSA-N 0 0 312.753 0.888 50 0 DCAARN C[C@@H](CCc1cccn1C)NC(=O)NCCS(C)(=O)=O ZINC000076069865 191569721 /nfs/dbraw/zinc/56/97/21/191569721.db2.gz WKNALZKCIYFXCJ-NSHDSACASA-N 0 0 301.412 0.690 50 0 DCAARN COc1ccc2[nH]cc(CCn3c(N)cc(=O)[nH]c3=O)c2c1 ZINC000005267387 181224085 /nfs/dbraw/zinc/22/40/85/181224085.db2.gz ZXMAHGZEAHKOMM-UHFFFAOYSA-N 0 0 300.318 0.851 50 0 DCAARN CC(=O)Nc1ccc(NC(=O)C[C@@H]([NH2+]CCCO)C(=O)[O-])cc1 ZINC000005257969 181223212 /nfs/dbraw/zinc/22/32/12/181223212.db2.gz FAVRWELQSGFWNT-CYBMUJFWSA-N 0 0 323.349 0.399 50 0 DCAARN CCS(=O)(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000005328918 181230356 /nfs/dbraw/zinc/23/03/56/181230356.db2.gz KQHKQAZCAGHSHA-UHFFFAOYSA-N 0 0 304.393 0.988 50 0 DCAARN CCNS(=O)(=O)CCNC(=O)Cc1cc(F)ccc1F ZINC000080177051 192010128 /nfs/dbraw/zinc/01/01/28/192010128.db2.gz HFDRSQAEGDHOOK-UHFFFAOYSA-N 0 0 306.334 0.563 50 0 DCAARN NC(=O)c1ccc(CNC(=O)c2cccc(-n3cccn3)n2)o1 ZINC000081013257 192214580 /nfs/dbraw/zinc/21/45/80/192214580.db2.gz SIBRQXSSQBKVDD-UHFFFAOYSA-N 0 0 311.301 0.889 50 0 DCAARN CCNS(=O)(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000086248375 192556313 /nfs/dbraw/zinc/55/63/13/192556313.db2.gz SQBBWVNFYJQFAP-UHFFFAOYSA-N 0 0 323.369 0.250 50 0 DCAARN CN1N=C(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)CCC1=O ZINC000032836819 283258672 /nfs/dbraw/zinc/25/86/72/283258672.db2.gz NGYNFVYARGPPAB-CYBMUJFWSA-N 0 0 314.345 0.033 50 0 DCAARN CNC(=O)NC(=O)CN1CCC[C@@H]1C(=O)Nc1ccccc1 ZINC000028074754 283353318 /nfs/dbraw/zinc/35/33/18/283353318.db2.gz IXFPVDAMMNALKZ-GFCCVEGCSA-N 0 0 304.350 0.545 50 0 DCAARN NC(=O)[C@H]1CC[C@H](CNC(=O)N2CCc3ccccc3CC2)O1 ZINC000154293741 237030350 /nfs/dbraw/zinc/03/03/50/237030350.db2.gz IFMJRJRQBGDVOH-HUUCEWRRSA-N 0 0 317.389 0.830 50 0 DCAARN COC(=O)[C@@H](NCc1cncc(Br)c1)[C@H](C)O ZINC000191963661 200789476 /nfs/dbraw/zinc/78/94/76/200789476.db2.gz FWTAILZKQMDYQP-XVKPBYJWSA-N 0 0 303.156 0.856 50 0 DCAARN C[C@]1(C(=O)N2CCO[C@H](C(N)=O)C2)CCCc2ccccc21 ZINC000089919404 192905385 /nfs/dbraw/zinc/90/53/85/192905385.db2.gz FDAWSYHWLUKXGS-YOEHRIQHSA-N 0 0 302.374 0.993 50 0 DCAARN CNC(=O)c1ccc(CN2Cc3nc(C)n(C)c(=O)c3C2)o1 ZINC000244764167 202496063 /nfs/dbraw/zinc/49/60/63/202496063.db2.gz PCLYHSYLTYEQHY-UHFFFAOYSA-N 0 0 302.334 0.557 50 0 DCAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCc1ccncc1 ZINC000006506811 181347342 /nfs/dbraw/zinc/34/73/42/181347342.db2.gz KBBHUAONSQWVHZ-UHFFFAOYSA-N 0 0 310.313 0.401 50 0 DCAARN CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC2(CCCCC2)C1 ZINC000408517141 239271965 /nfs/dbraw/zinc/27/19/65/239271965.db2.gz YPQNGQCZLRCTIV-LBPRGKRZSA-N 0 0 318.439 0.876 50 0 DCAARN O=c1c2ccccc2nnn1CN1CCN(c2ccccn2)CC1 ZINC000006589273 181357979 /nfs/dbraw/zinc/35/79/79/181357979.db2.gz VNOVZSMUTHGJOO-UHFFFAOYSA-N 0 0 322.372 0.966 50 0 DCAARN O=C1SCC[C@H]1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000006667864 181367814 /nfs/dbraw/zinc/36/78/14/181367814.db2.gz NQZTUBNGXAWHEJ-SECBINFHSA-N 0 0 315.372 0.768 50 0 DCAARN Cn1c(SCCC(=O)NC(N)=O)nc2ccsc2c1=O ZINC000198362466 201424089 /nfs/dbraw/zinc/42/40/89/201424089.db2.gz HEPUDYGJJAHGTM-UHFFFAOYSA-N 0 0 312.376 0.672 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccnn2C)cc1 ZINC000006730813 181379300 /nfs/dbraw/zinc/37/93/00/181379300.db2.gz RSZBCZCQCGFPEY-UHFFFAOYSA-N 0 0 308.363 0.923 50 0 DCAARN NC(=O)Cn1c(=O)n(Cc2cccs2)c(=O)c2cccnc21 ZINC000006805204 181391918 /nfs/dbraw/zinc/39/19/18/181391918.db2.gz KRXNRDWXASDXHW-UHFFFAOYSA-N 0 0 316.342 0.153 50 0 DCAARN CCN(CC)C(=S)SCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000006879613 181399966 /nfs/dbraw/zinc/39/99/66/181399966.db2.gz OSYNWKATNFKKKC-SECBINFHSA-N 0 0 324.493 0.650 50 0 DCAARN CCc1nc2c(ncnc2N2CCN(C(C)=O)C[C@@H](O)C2)o1 ZINC000091425774 193053723 /nfs/dbraw/zinc/05/37/23/193053723.db2.gz ONGMUPKDJPHIHK-SNVBAGLBSA-N 0 0 305.338 0.210 50 0 DCAARN CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cnc(C)[nH]c1=O ZINC000091605074 193078410 /nfs/dbraw/zinc/07/84/10/193078410.db2.gz DTFGFXKHZWDVCD-LBPRGKRZSA-N 0 0 306.366 0.551 50 0 DCAARN O=C(Cn1ncc2ccccc2c1=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000091468559 193060738 /nfs/dbraw/zinc/06/07/38/193060738.db2.gz OFWKDAIHMBNECA-ZDUSSCGKSA-N 0 0 323.356 0.793 50 0 DCAARN CC1(C)CN(c2cncc(C(=O)N3CCOCC3)n2)C[C@@]1(C)O ZINC000091695446 193093340 /nfs/dbraw/zinc/09/33/40/193093340.db2.gz JACSMLNIZIOFQI-MRXNPFEDSA-N 0 0 320.393 0.546 50 0 DCAARN CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 ZINC000091894904 193122902 /nfs/dbraw/zinc/12/29/02/193122902.db2.gz MUZSHMHJTRQRET-LSDHHAIUSA-N 0 0 316.405 0.593 50 0 DCAARN CC[C@@H](NC(=O)CN1C(=O)CNC1=O)c1nc(C)c(C)s1 ZINC000091818904 193112502 /nfs/dbraw/zinc/11/25/02/193112502.db2.gz QHBAVCSHQYIZCL-SECBINFHSA-N 0 0 310.379 0.879 50 0 DCAARN CSc1ncc(CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)n1C ZINC000091964695 193133470 /nfs/dbraw/zinc/13/34/70/193133470.db2.gz WTPAABZMDLKNEN-SECBINFHSA-N 0 0 308.407 0.769 50 0 DCAARN Cc1nc(C(C)C)sc1CNC(=O)C[C@H]1NC(=O)NC1=O ZINC000215516668 201461526 /nfs/dbraw/zinc/46/15/26/201461526.db2.gz PYPITIVXWZGKOK-MRVPVSSYSA-N 0 0 310.379 0.789 50 0 DCAARN CCc1nc(C)c(C(=O)N2CCCN(S(C)(=O)=O)CC2)o1 ZINC000215260401 201456620 /nfs/dbraw/zinc/45/66/20/201456620.db2.gz WPNFYMIYWMDROE-UHFFFAOYSA-N 0 0 315.395 0.653 50 0 DCAARN CSc1ccccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000216132374 201482376 /nfs/dbraw/zinc/48/23/76/201482376.db2.gz CVPWSFOWJXNBKQ-NXEZZACHSA-N 0 0 301.389 0.296 50 0 DCAARN O=C(CN1C(=O)CNC1=O)NCc1coc(-c2ccccc2)n1 ZINC000092081664 193154749 /nfs/dbraw/zinc/15/47/49/193154749.db2.gz FPDKVUYBDCZATL-UHFFFAOYSA-N 0 0 314.301 0.510 50 0 DCAARN Cc1ccn(CC(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)n1 ZINC000220043166 201568534 /nfs/dbraw/zinc/56/85/34/201568534.db2.gz FBPCVHYNQKTPCO-ABIUDSBCSA-N 0 0 303.366 0.553 50 0 DCAARN Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@@H]1CCC(=O)N1 ZINC000220124593 201571049 /nfs/dbraw/zinc/57/10/49/201571049.db2.gz FKYQPPRQRQMMNT-QMMMGPOBSA-N 0 0 304.272 0.605 50 0 DCAARN CC(=O)N[C@@H](CC(C)C)C(=O)NCCCn1nc(C)nc1C ZINC000223671383 201652940 /nfs/dbraw/zinc/65/29/40/201652940.db2.gz XYXZBXRIDJWHJR-AWEZNQCLSA-N 0 0 309.414 0.952 50 0 DCAARN COC1(CC(=O)NC2CCN(S(C)(=O)=O)CC2)CCC1 ZINC000252493601 202849982 /nfs/dbraw/zinc/84/99/82/202849982.db2.gz NDPKZAKKCPOPTQ-UHFFFAOYSA-N 0 0 304.412 0.486 50 0 DCAARN Cc1nc(CCCNC(=O)CCNS(C)(=O)=O)sc1C ZINC000252508537 202858894 /nfs/dbraw/zinc/85/88/94/202858894.db2.gz XORQDLKBXXPDOI-UHFFFAOYSA-N 0 0 319.452 0.748 50 0 DCAARN Cc1nnc(CN2CC(S(=O)(=O)NC3CCCC3)C2)s1 ZINC000253430230 202887798 /nfs/dbraw/zinc/88/77/98/202887798.db2.gz KEUYMZJLOOKNGK-UHFFFAOYSA-N 0 0 316.452 0.893 50 0 DCAARN CCOc1nccn2c(CNC(=O)Cc3ccncc3)nnc12 ZINC000253472245 202891755 /nfs/dbraw/zinc/89/17/55/202891755.db2.gz KWKQKHJVGWHIRJ-UHFFFAOYSA-N 0 0 312.333 0.777 50 0 DCAARN COC(=O)C1=CNC(=O)C([C@@H](CC(N)=O)c2cccnc2)C1=O ZINC000253623697 202905102 /nfs/dbraw/zinc/90/51/02/202905102.db2.gz HKGVVUVJRGLMRE-VIFPVBQESA-N 0 0 317.301 0.682 50 0 biogenic DCAARN O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc2nnnn2c1 ZINC000077321423 284071736 /nfs/dbraw/zinc/07/17/36/284071736.db2.gz XGGGMGMDEMOEFH-GFCCVEGCSA-N 0 0 317.349 0.582 50 0 DCAARN Cc1ccc(OCCC(=O)OCc2nc(N)nc(N)n2)cc1 ZINC000007085834 181437860 /nfs/dbraw/zinc/43/78/60/181437860.db2.gz FCCULAXWLFNFJN-UHFFFAOYSA-N 0 0 303.322 0.857 50 0 DCAARN NC(=O)[C@H]1CCCCN1C(=O)CNC(=O)CC1CCCCC1 ZINC000095957826 193458800 /nfs/dbraw/zinc/45/88/00/193458800.db2.gz KDOWKWRVHKKFCR-CYBMUJFWSA-N 0 0 309.410 0.939 50 0 DCAARN COc1cccc(S(=O)(=O)N2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC000096025296 193490936 /nfs/dbraw/zinc/49/09/36/193490936.db2.gz MGIYVQPMIKTABK-GFCCVEGCSA-N 0 0 319.404 0.503 50 0 DCAARN CC(C)C[C@H](C(=O)NCC[S@](C)=O)N1CCCCC1=O ZINC000096461581 193656905 /nfs/dbraw/zinc/65/69/05/193656905.db2.gz RTGIDBSQHQEXHG-MPBGBICISA-N 0 0 302.440 0.908 50 0 DCAARN COC(=O)[C@@]12CCC[C@H]1CN(CC(=O)NCC(F)(F)F)C2 ZINC000097082963 284239973 /nfs/dbraw/zinc/23/99/73/284239973.db2.gz OUEYHVGXDIKKQU-JOYOIKCWSA-N 0 0 308.300 0.940 50 0 DCAARN CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000009423290 181620125 /nfs/dbraw/zinc/62/01/25/181620125.db2.gz YDXOENXTTXQQPV-UHFFFAOYSA-N 0 0 312.329 0.696 50 0 DCAARN O=C(COC(=O)c1ccc(Cn2cncn2)cc1)NC1CC1 ZINC000010655139 181675957 /nfs/dbraw/zinc/67/59/57/181675957.db2.gz WFTDBOTVIWXPBR-UHFFFAOYSA-N 0 0 300.318 0.762 50 0 DCAARN CCCCNC(=O)Cn1nnn(-c2ccccc2Cl)c1=O ZINC000011101167 181685204 /nfs/dbraw/zinc/68/52/04/181685204.db2.gz KOKRMGGJARIHML-UHFFFAOYSA-N 0 0 309.757 0.999 50 0 DCAARN CS(=O)(=O)N1CCN(c2ccc(-c3ccncc3)nn2)CC1 ZINC000012443451 181763542 /nfs/dbraw/zinc/76/35/42/181763542.db2.gz FPIRLFFSCFVADP-UHFFFAOYSA-N 0 0 319.390 0.620 50 0 DCAARN COC(=O)C=C(N)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000012324003 181750965 /nfs/dbraw/zinc/75/09/65/181750965.db2.gz ZRXQJVDIDGJGMW-LUAWRHEFSA-N 0 0 308.334 0.378 50 0 DCAARN C[C@H](C(=O)NCCN1CCS(=O)(=O)CC1)c1ccccc1 ZINC000097163697 193684054 /nfs/dbraw/zinc/68/40/54/193684054.db2.gz IZTCMBMCXFLTRS-ZDUSSCGKSA-N 0 0 310.419 0.637 50 0 DCAARN CCCCN(CC)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000013427614 181849279 /nfs/dbraw/zinc/84/92/79/181849279.db2.gz IPTSQFFDIDVHGK-UHFFFAOYSA-N 0 0 321.381 0.082 50 0 DCAARN CCNC(=O)NC(=O)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O ZINC000014170616 181932503 /nfs/dbraw/zinc/93/25/03/181932503.db2.gz QTCGCUIWXNVEMZ-JTQLQIEISA-N 0 0 318.333 0.689 50 0 DCAARN C[C@@H](O)CN1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000071877432 296187132 /nfs/dbraw/zinc/18/71/32/296187132.db2.gz LRYZNOTXXUKNOG-GDBMZVCRSA-N 0 0 305.422 0.814 50 0 DCAARN CCNC(=O)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1 ZINC000015672346 182011921 /nfs/dbraw/zinc/01/19/21/182011921.db2.gz USLVSXKQIFWCEH-VIFPVBQESA-N 0 0 309.395 0.770 50 0 DCAARN CN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1 ZINC000016626690 182053950 /nfs/dbraw/zinc/05/39/50/182053950.db2.gz IMYTYWZPGFODFH-UHFFFAOYSA-N 0 0 304.393 0.471 50 0 DCAARN CCNC(=O)C(=O)NCCN1CCO[C@H](c2ccccc2)C1 ZINC000017296712 182081784 /nfs/dbraw/zinc/08/17/84/182081784.db2.gz ACBMANPBQIJKDW-AWEZNQCLSA-N 0 0 305.378 0.312 50 0 DCAARN CCN1CCN([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)CC1 ZINC000019364477 182119276 /nfs/dbraw/zinc/11/92/76/182119276.db2.gz POGSCQABIVBGSB-OAHLLOKOSA-N 0 0 317.389 0.965 50 0 DCAARN CC(=O)N1CN2CN(C(C)=O)CC(C(=O)c3ccccc3)(C2)C1 ZINC000019312988 182114377 /nfs/dbraw/zinc/11/43/77/182114377.db2.gz IWYXWURLAYUHIG-UHFFFAOYSA-N 0 0 315.373 0.797 50 0 DCAARN COc1ccc(OC[C@@H](O)CN2CCN(CCO)CC2)cc1 ZINC000019770862 182145170 /nfs/dbraw/zinc/14/51/70/182145170.db2.gz ZGGUJDGEJUFZRU-AWEZNQCLSA-N 0 0 310.394 0.045 50 0 DCAARN CN1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000020133598 182190753 /nfs/dbraw/zinc/19/07/53/182190753.db2.gz CCLICYSZYRJNHA-UHFFFAOYSA-N 0 0 315.373 0.837 50 0 DCAARN CCCNc1ncc(CN2C[C@H]([NH+](C)C)C[C@H]2C(=O)[O-])cn1 ZINC000097655355 193743576 /nfs/dbraw/zinc/74/35/76/193743576.db2.gz NMHHUUCTGXVCOP-OLZOCXBDSA-N 0 0 307.398 0.888 50 0 DCAARN CC[C@@H](C)[C@H](NC(=O)c1cccc(-n2cnnn2)c1)C(=O)OC ZINC000020427155 182216260 /nfs/dbraw/zinc/21/62/60/182216260.db2.gz LOQGOIGAFGNWAC-MFKMUULPSA-N 0 0 317.349 0.980 50 0 DCAARN COc1ccccc1O[C@@H](C)C(=O)NCCN1CCOCC1 ZINC000020567964 182233615 /nfs/dbraw/zinc/23/36/15/182233615.db2.gz FYOYMUFQZXHXCY-ZDUSSCGKSA-N 0 0 308.378 0.911 50 0 DCAARN C[C@@H](O)CNc1nc2nnnn2c2sc3c(c21)CCN(C)C3 ZINC000020503785 182225023 /nfs/dbraw/zinc/22/50/23/182225023.db2.gz RNVBWCHOSYBZJX-SSDOTTSWSA-N 0 0 319.394 0.515 50 0 DCAARN COCCNC(=O)CCn1c(=O)c2cccn2c2cccnc21 ZINC000020512567 182225749 /nfs/dbraw/zinc/22/57/49/182225749.db2.gz SBMCXRMCGYAGNH-UHFFFAOYSA-N 0 0 314.345 0.802 50 0 DCAARN CCC1=NO[C@@H](CNC(=O)c2ccc(-n3cnnc3)nc2)C1 ZINC000097732415 193751386 /nfs/dbraw/zinc/75/13/86/193751386.db2.gz WWNVVTDTPVNZMZ-GFCCVEGCSA-N 0 0 300.322 0.947 50 0 DCAARN CCc1ccc(N2C[C@H](C(=O)NCC(=O)OC)CC2=O)cc1 ZINC000021449722 182273535 /nfs/dbraw/zinc/27/35/35/182273535.db2.gz DOQICXRHQVZUMJ-GFCCVEGCSA-N 0 0 304.346 0.891 50 0 DCAARN COCCCNC(=O)c1nn(-c2ccc(F)cc2)nc1CO ZINC000021172911 182268159 /nfs/dbraw/zinc/26/81/59/182268159.db2.gz JAVCODKVVHPQDS-UHFFFAOYSA-N 0 0 308.313 0.665 50 0 DCAARN c1cc(-c2nc(C3CCOCC3)nn2C[C@@H]2COCCO2)n[nH]1 ZINC000097797276 193758677 /nfs/dbraw/zinc/75/86/77/193758677.db2.gz ZYEKGGSEECZVMG-GFCCVEGCSA-N 0 0 319.365 0.978 50 0 DCAARN CCOC(=O)N1CCN(Cn2nnc3ccccc3c2=O)CC1 ZINC000021841850 182294962 /nfs/dbraw/zinc/29/49/62/182294962.db2.gz IJEIKWQOIRNFQZ-UHFFFAOYSA-N 0 0 317.349 0.523 50 0 DCAARN CN(Cc1ccco1)C(=O)Cn1nnn(-c2ccccc2)c1=O ZINC000021738449 182287384 /nfs/dbraw/zinc/28/73/84/182287384.db2.gz ZPCUWERXMCZBJM-UHFFFAOYSA-N 0 0 313.317 0.681 50 0 DCAARN COc1cccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CC2)c1O ZINC000021976021 182301657 /nfs/dbraw/zinc/30/16/57/182301657.db2.gz BMTWCJMNPKIPSE-QMMMGPOBSA-N 0 0 322.317 0.934 50 0 DCAARN Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1NC[C@@H]1CCCO1 ZINC000022767669 182334267 /nfs/dbraw/zinc/33/42/67/182334267.db2.gz NWCGBDQVZJCSDO-JTQLQIEISA-N 0 0 304.350 0.532 50 0 DCAARN COCCNC(=O)CN1CCN(Cc2ccccc2C)CC1 ZINC000022847781 182336824 /nfs/dbraw/zinc/33/68/24/182336824.db2.gz KRSIQCAKGAFECG-UHFFFAOYSA-N 0 0 305.422 0.875 50 0 DCAARN COCCNC(=O)CN1CCN(Cc2ccccc2F)CC1 ZINC000023259668 182354302 /nfs/dbraw/zinc/35/43/02/182354302.db2.gz FDNWBDKZQHCTMD-UHFFFAOYSA-N 0 0 309.385 0.706 50 0 DCAARN CCN(CC)C(=O)CN(C)Cc1nn2c(nc(C)cc2=O)s1 ZINC000024337265 182379014 /nfs/dbraw/zinc/37/90/14/182379014.db2.gz BOJBXTROYAYUIF-UHFFFAOYSA-N 0 0 323.422 0.760 50 0 DCAARN CS(=O)(=O)N1CCN(CC(=O)c2c[nH]c3ccccc23)CC1 ZINC000024508040 182382645 /nfs/dbraw/zinc/38/26/45/182382645.db2.gz CAHDGAUNGPQELN-UHFFFAOYSA-N 0 0 321.402 0.928 50 0 DCAARN NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000024612462 182385298 /nfs/dbraw/zinc/38/52/98/182385298.db2.gz OHWDWNJCJPAHME-UHFFFAOYSA-N 0 0 300.355 0.853 50 0 DCAARN C[C@@H](C(=O)O[C@@H]1CCOC1=O)N1C(=O)c2ccccc2C1=O ZINC000024971060 182397026 /nfs/dbraw/zinc/39/70/26/182397026.db2.gz HVURQZOQWCAZKW-GZMMTYOYSA-N 0 0 303.270 0.530 50 0 DCAARN C[C@H]1c2ccsc2CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000025382191 182412538 /nfs/dbraw/zinc/41/25/38/182412538.db2.gz YKAKLBISDRMGPC-VIFPVBQESA-N 0 0 305.359 0.744 50 0 DCAARN COc1ccc([C@H](NS(=O)(=O)N(C)C)c2nccn2C)cc1 ZINC000027966092 182500363 /nfs/dbraw/zinc/50/03/63/182500363.db2.gz VLUVTIQGHDCZPB-ZDUSSCGKSA-N 0 0 324.406 0.914 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000029202367 182555743 /nfs/dbraw/zinc/55/57/43/182555743.db2.gz RMXQKGNYVKDNHY-NEPJUHHUSA-N 0 0 304.412 0.486 50 0 DCAARN CNS(=O)(=O)c1cccc(CNC(=O)c2ccncc2)c1 ZINC000031749214 182622066 /nfs/dbraw/zinc/62/20/66/182622066.db2.gz SYRIMVCVIMACKL-UHFFFAOYSA-N 0 0 305.359 0.920 50 0 DCAARN O=C(CCNC(=O)[C@@H]1CC(c2ccccc2)=NO1)NC1CC1 ZINC000036015185 182792704 /nfs/dbraw/zinc/79/27/04/182792704.db2.gz VGRKSQIFXYKQPR-AWEZNQCLSA-N 0 0 301.346 0.965 50 0 DCAARN Cc1nnc(CNC(=O)C(=O)NCc2ccccc2Cl)o1 ZINC000038718440 183008113 /nfs/dbraw/zinc/00/81/13/183008113.db2.gz XPSXUQCUHBAUJC-UHFFFAOYSA-N 0 0 308.725 0.964 50 0 DCAARN Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NCC(C)C)n2)n1 ZINC000040283598 183050863 /nfs/dbraw/zinc/05/08/63/183050863.db2.gz PDZHUPYLMNRTRT-UHFFFAOYSA-N 0 0 303.366 0.818 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)Oc1ccc(S(C)(=O)=O)cc1 ZINC000040460862 183070242 /nfs/dbraw/zinc/07/02/42/183070242.db2.gz MBVZEPSHPHQUFX-QMMMGPOBSA-N 0 0 300.336 0.313 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000040481184 183076900 /nfs/dbraw/zinc/07/69/00/183076900.db2.gz ATJRABLTTLHPDY-UHFFFAOYSA-N 0 0 323.374 0.358 50 0 DCAARN CS(=O)(=O)Nc1ccc(NC(=O)Cn2ccccc2=O)cc1 ZINC000040489527 183079032 /nfs/dbraw/zinc/07/90/32/183079032.db2.gz FIPRGTIGIZDTTG-UHFFFAOYSA-N 0 0 321.358 0.859 50 0 DCAARN CCOC(=O)C1=C(COC(=O)CSC(C)C)NC(=O)NC1 ZINC000040501875 183083698 /nfs/dbraw/zinc/08/36/98/183083698.db2.gz BLHNHXMOXWLITP-UHFFFAOYSA-N 0 0 316.379 0.801 50 0 DCAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000040506243 183085350 /nfs/dbraw/zinc/08/53/50/183085350.db2.gz QKXHBXGXJPZXRF-VXGBXAGGSA-N 0 0 304.346 0.763 50 0 DCAARN O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000040505027 183085495 /nfs/dbraw/zinc/08/54/95/183085495.db2.gz BEBWTLSUXDOMHB-TZMCWYRMSA-N 0 0 303.362 0.725 50 0 DCAARN C[C@@H]1CN(C(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000040511855 183087184 /nfs/dbraw/zinc/08/71/84/183087184.db2.gz ACZISVXBWXGTBR-GHMZBOCLSA-N 0 0 319.427 0.229 50 0 DCAARN COCCOCC(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000040512941 183087938 /nfs/dbraw/zinc/08/79/38/183087938.db2.gz JHWIUCUIFHZIOK-UHFFFAOYSA-N 0 0 302.352 0.660 50 0 DCAARN CC[C@@](C)(CNC(=O)C1=NN(C)C(=O)CC1)N1CCOCC1 ZINC000040515330 183088993 /nfs/dbraw/zinc/08/89/93/183088993.db2.gz RJPCDUMOKGSKTP-HNNXBMFYSA-N 0 0 310.398 0.212 50 0 DCAARN CCN(CC(=O)NC)C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000040539441 183096601 /nfs/dbraw/zinc/09/66/01/183096601.db2.gz IETQWFIYABLBHX-CYBMUJFWSA-N 0 0 317.389 0.942 50 0 DCAARN COCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000040542326 183098583 /nfs/dbraw/zinc/09/85/83/183098583.db2.gz IMSLPCFCLJWINA-AWEZNQCLSA-N 0 0 318.373 0.555 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)COCC2CC2)C1 ZINC000040542730 183098684 /nfs/dbraw/zinc/09/86/84/183098684.db2.gz RUUUPMRGJICEKT-LBPRGKRZSA-N 0 0 304.412 0.201 50 0 DCAARN O=C(CS(=O)(=O)Cc1nc(-c2ccccc2)no1)N1CCC1 ZINC000040543195 183099220 /nfs/dbraw/zinc/09/92/20/183099220.db2.gz QOJCHKMDQKRXIR-UHFFFAOYSA-N 0 0 321.358 0.884 50 0 DCAARN Cn1c2ncn(C[C@@H](O)c3cccc(F)c3)c2c(=O)n(C)c1=O ZINC000040555427 183101859 /nfs/dbraw/zinc/10/18/59/183101859.db2.gz YNRWGQWVJMQDRR-LLVKDONJSA-N 0 0 318.308 0.306 50 0 DCAARN Cc1nn(CC(=O)N2CC[C@@H](C(N)=O)C2)c(=O)c2ccccc12 ZINC000041129560 183170387 /nfs/dbraw/zinc/17/03/87/183170387.db2.gz KZGMHMIWHQDSAK-LLVKDONJSA-N 0 0 314.345 0.039 50 0 DCAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)CC1 ZINC000041317895 183184744 /nfs/dbraw/zinc/18/47/44/183184744.db2.gz GYNQAYAHHODOQJ-UHFFFAOYSA-N 0 0 323.418 0.515 50 0 DCAARN Cc1nn(CC(=O)NC[C@H]2CCOC2)c(=O)c2ccccc12 ZINC000041368085 183187418 /nfs/dbraw/zinc/18/74/18/183187418.db2.gz JBUWBDQJHQXWCA-GFCCVEGCSA-N 0 0 301.346 0.858 50 0 DCAARN CCCS(=O)(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000042102649 183232940 /nfs/dbraw/zinc/23/29/40/183232940.db2.gz ATTUZFWLOFTLQW-UHFFFAOYSA-N 0 0 324.410 0.225 50 0 DCAARN Cc1noc(C)c1CN(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000042132806 183233625 /nfs/dbraw/zinc/23/36/25/183233625.db2.gz YKLCRBCECYLADD-NSHDSACASA-N 0 0 315.395 0.027 50 0 DCAARN Cc1nnc(CNC(=O)Cn2c3ccccc3n(C)c2=O)o1 ZINC000042126866 183234369 /nfs/dbraw/zinc/23/43/69/183234369.db2.gz YBZPYBAMKFFHGD-UHFFFAOYSA-N 0 0 301.306 0.348 50 0 DCAARN Cc1nc(CN2CCN(C(=O)CN3CCCC3=O)CC2)cs1 ZINC000042359944 183258298 /nfs/dbraw/zinc/25/82/98/183258298.db2.gz TUBJXIIAUJVILP-UHFFFAOYSA-N 0 0 322.434 0.718 50 0 DCAARN NC(=O)C1(CNC(=O)NCCc2ccccc2)CCOCC1 ZINC000042863359 183314908 /nfs/dbraw/zinc/31/49/08/183314908.db2.gz IVJAPCSUIJKNBK-UHFFFAOYSA-N 0 0 305.378 0.810 50 0 DCAARN Cn1c2ncn(CCOC(=O)CC(C)(C)C)c2c(=O)n(C)c1=O ZINC000043275302 183349448 /nfs/dbraw/zinc/34/94/48/183349448.db2.gz PCZRISAHMGMNJD-UHFFFAOYSA-N 0 0 322.365 0.413 50 0 DCAARN CC(C)OCCCNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000043062288 183333981 /nfs/dbraw/zinc/33/39/81/183333981.db2.gz CAEPBYWPFWXCML-GFCCVEGCSA-N 0 0 321.443 0.525 50 0 DCAARN CC(=O)N(C)CC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000044913346 183455775 /nfs/dbraw/zinc/45/57/75/183455775.db2.gz SPMBAXIIRHZTAG-CYBMUJFWSA-N 0 0 315.377 0.914 50 0 DCAARN C[C@@H](Cn1cccn1)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000044917597 183457397 /nfs/dbraw/zinc/45/73/97/183457397.db2.gz QFZSWKZZCVWCJR-SDDRHHMPSA-N 0 0 302.400 0.215 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)N1CCC[C@@H]1c1ccncc1 ZINC000044967070 183467679 /nfs/dbraw/zinc/46/76/79/183467679.db2.gz BVOWYPGMOKSEAU-CQSZACIVSA-N 0 0 323.418 0.476 50 0 DCAARN CC(C)(C)c1nc(CN2CCN(S(C)(=O)=O)CC2)no1 ZINC000044974269 183470909 /nfs/dbraw/zinc/47/09/09/183470909.db2.gz ZYFGFAMFEUCKJZ-UHFFFAOYSA-N 0 0 302.400 0.444 50 0 DCAARN CNC(=O)NC(=O)CNc1cc(C(=O)OC)c(F)cc1F ZINC000045096458 183481988 /nfs/dbraw/zinc/48/19/88/183481988.db2.gz KRXUWQNDRNUBGY-UHFFFAOYSA-N 0 0 301.249 0.619 50 0 DCAARN Cc1noc(CCCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000046752936 183567553 /nfs/dbraw/zinc/56/75/53/183567553.db2.gz QGRCPMAQVDPUPZ-SNVBAGLBSA-N 0 0 301.368 0.346 50 0 DCAARN O=C(c1cnn(-c2ccccc2)n1)N1CC[C@@H](n2ccnn2)C1 ZINC000206929889 284753732 /nfs/dbraw/zinc/75/37/32/284753732.db2.gz PCHRCOVRRTYEDJ-CYBMUJFWSA-N 0 0 309.333 0.946 50 0 DCAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CCn1cncn1 ZINC000048278112 183636890 /nfs/dbraw/zinc/63/68/90/183636890.db2.gz HMFTXXAZDORZGK-GFCCVEGCSA-N 0 0 302.334 0.967 50 0 DCAARN Cc1nnc(NC(=O)Nc2cnn(CC(=O)NC3CC3)c2)s1 ZINC000052797481 183873766 /nfs/dbraw/zinc/87/37/66/183873766.db2.gz VQBAVXOZBGCOBD-UHFFFAOYSA-N 0 0 321.366 0.966 50 0 DCAARN C[C@@H](CO)NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000055271026 183975363 /nfs/dbraw/zinc/97/53/63/183975363.db2.gz VKVUXHOSKSEFKR-VIFPVBQESA-N 0 0 304.343 0.089 50 0 DCAARN COc1ccc(OC)c(NC(=O)CC(=O)N2CC[C@@H](O)C2)c1 ZINC000055368780 183982410 /nfs/dbraw/zinc/98/24/10/183982410.db2.gz SANUPYPSMQOKNK-SNVBAGLBSA-N 0 0 308.334 0.626 50 0 DCAARN CN(C[C@H](O)CO)C(=O)CCC(=O)NC1CCCCCCC1 ZINC000055413327 183986064 /nfs/dbraw/zinc/98/60/64/183986064.db2.gz MONVXJVVRGHSCZ-AWEZNQCLSA-N 0 0 314.426 0.807 50 0 DCAARN CCNC(=O)C1(NC(=O)CCN2CCOC2=O)CCCCC1 ZINC000056016267 184002889 /nfs/dbraw/zinc/00/28/89/184002889.db2.gz RPDNUIXIXWJWHG-UHFFFAOYSA-N 0 0 311.382 0.784 50 0 DCAARN CN(C)C(=O)COc1cc(C(=O)NCc2cccnc2)nn1C ZINC000057312680 184032967 /nfs/dbraw/zinc/03/29/67/184032967.db2.gz DHODAFROPHQYOS-UHFFFAOYSA-N 0 0 317.349 0.212 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)N[C@H](C)COc1ccccc1C ZINC000056997754 184023986 /nfs/dbraw/zinc/02/39/86/184023986.db2.gz ANCSOGZIBRDGSR-GFCCVEGCSA-N 0 0 321.377 0.131 50 0 DCAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)N1CCNC(=O)C1 ZINC000057024626 184024965 /nfs/dbraw/zinc/02/49/65/184024965.db2.gz PHRYDPRHEMMGEE-KBPBESRZSA-N 0 0 303.406 0.944 50 0 DCAARN O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccncc1 ZINC000058161945 184082906 /nfs/dbraw/zinc/08/29/06/184082906.db2.gz JIBCZJROVXFUDE-LBPRGKRZSA-N 0 0 316.313 0.980 50 0 DCAARN O=c1ncccn1Cc1cccc(Nc2ccc3nnnn3n2)c1 ZINC000058174953 184085256 /nfs/dbraw/zinc/08/52/56/184085256.db2.gz XFVHHXSPXUXVGF-UHFFFAOYSA-N 0 0 320.316 0.868 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1cc(C)ccc1F ZINC000058191055 184086026 /nfs/dbraw/zinc/08/60/26/184086026.db2.gz DEQQPAJCSFVYFW-UHFFFAOYSA-N 0 0 304.343 0.257 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000058358186 184108892 /nfs/dbraw/zinc/10/88/92/184108892.db2.gz RRSXRXKYYOYKHD-LBPRGKRZSA-N 0 0 323.374 0.666 50 0 DCAARN CNC(=O)NC(=O)CN1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000058289906 184100690 /nfs/dbraw/zinc/10/06/90/184100690.db2.gz QZILLXPABSVZGZ-NSHDSACASA-N 0 0 312.414 0.315 50 0 DCAARN CCc1noc([C@@H](C)N2CCN(CCN3CCNC3=O)CC2)n1 ZINC000058415465 184115164 /nfs/dbraw/zinc/11/51/64/184115164.db2.gz QBBUNXFDGCPAAS-GFCCVEGCSA-N 0 0 322.413 0.336 50 0 DCAARN NC(=O)CN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)C1=O ZINC000060361680 184147258 /nfs/dbraw/zinc/14/72/58/184147258.db2.gz KZOZOEAZJGFCOY-NSHDSACASA-N 0 0 301.224 0.481 50 0 DCAARN O=C(NCCCN1CCOCC1)c1cc2c([nH]c1=O)CCCC2 ZINC000061720186 184185340 /nfs/dbraw/zinc/18/53/40/184185340.db2.gz ATJFSHQOHVDTAF-UHFFFAOYSA-N 0 0 319.405 0.706 50 0 DCAARN COCCCNC(=O)CN(C)C(=O)c1ccc(OC)cc1O ZINC000063519466 184283856 /nfs/dbraw/zinc/28/38/56/184283856.db2.gz ASQLXMZMXRLPSK-UHFFFAOYSA-N 0 0 310.350 0.626 50 0 DCAARN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000063705642 184287041 /nfs/dbraw/zinc/28/70/41/184287041.db2.gz QBQZTFSPDOHZIZ-RYUDHWBXSA-N 0 0 316.423 0.281 50 0 DCAARN Cc1onc2c1c(C)nn(CC(=O)NCCc1ccco1)c2=O ZINC000064842320 184304211 /nfs/dbraw/zinc/30/42/11/184304211.db2.gz NGLAUBVFWUZMMP-UHFFFAOYSA-N 0 0 316.317 0.953 50 0 DCAARN CN1CCN2CCN(C(=O)CCOc3ccccc3)C[C@@H]2C1=O ZINC000065384835 184333129 /nfs/dbraw/zinc/33/31/29/184333129.db2.gz KWNFSDAWHXZDNJ-OAHLLOKOSA-N 0 0 317.389 0.440 50 0 DCAARN CC(C)c1csc(C(=O)N2CCN3C(=O)CNC(=O)[C@@H]3C2)n1 ZINC000065373171 184330850 /nfs/dbraw/zinc/33/08/50/184330850.db2.gz IZVOBUJXOUVOGQ-JTQLQIEISA-N 0 0 322.390 0.049 50 0 DCAARN O=C(NCCN1CCCCCC1=O)NCc1nnc2n1CCC2 ZINC000065415738 184340669 /nfs/dbraw/zinc/34/06/69/184340669.db2.gz OFTRYCZZTFVOPG-UHFFFAOYSA-N 0 0 320.397 0.426 50 0 DCAARN CC(=O)N1CCN(C(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000065440754 184345291 /nfs/dbraw/zinc/34/52/91/184345291.db2.gz DHZGROXLGIYYND-AWEZNQCLSA-N 0 0 303.362 0.864 50 0 DCAARN CC(=O)Nc1ccc(CNC(=O)CNCc2ncc[nH]2)cc1 ZINC000065399184 184336775 /nfs/dbraw/zinc/33/67/75/184336775.db2.gz MYKIVOOBHWOCEQ-UHFFFAOYSA-N 0 0 301.350 0.774 50 0 DCAARN O=C(C1=NNC(=O)CC1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000065624700 184375384 /nfs/dbraw/zinc/37/53/84/184375384.db2.gz RHKQGDSPOGLAGU-ZDUSSCGKSA-N 0 0 305.309 0.992 50 0 DCAARN CN(C)C(=O)CNc1cccc(C(=O)N2CCC[C@H](O)C2)c1 ZINC000066825305 184431841 /nfs/dbraw/zinc/43/18/41/184431841.db2.gz ZDJMUNIVFOHBLT-AWEZNQCLSA-N 0 0 305.378 0.784 50 0 DCAARN CC(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccnc2)C1 ZINC000069329578 184507633 /nfs/dbraw/zinc/50/76/33/184507633.db2.gz RTSCLPAQPSDLFL-ZDUSSCGKSA-N 0 0 318.377 0.783 50 0 DCAARN O=c1sc2ccccc2c(=O)n1Cc1nnnn1C1CC1 ZINC000273135677 210514231 /nfs/dbraw/zinc/51/42/31/210514231.db2.gz RUTVYAVEACDCTO-UHFFFAOYSA-N 0 0 301.331 0.793 50 0 DCAARN CC(C)(C)N1C[C@H](C(=O)NC2(C(N)=O)CCCCC2)CC1=O ZINC000340283714 253229467 /nfs/dbraw/zinc/22/94/67/253229467.db2.gz OUAKJNKJGHVQJR-LLVKDONJSA-N 0 0 309.410 0.938 50 0 DCAARN Cc1cc2ncc(C(=O)N3C[C@H]([NH3+])[C@@H](C4CC4)C3)c(=O)n2[n-]1 ZINC000102650019 257242401 /nfs/dbraw/zinc/24/24/01/257242401.db2.gz QNOICDIJIXGCRW-NEPJUHHUSA-N 0 0 301.350 0.140 50 0 DCAARN CNC(=O)C[C@@H]1C(=O)NCCN1C(=O)NCc1ccc(C)s1 ZINC000426717048 257243340 /nfs/dbraw/zinc/24/33/40/257243340.db2.gz WZAJCODTXYWYJP-LLVKDONJSA-N 0 0 324.406 0.203 50 0 DCAARN Cc1cnn(CC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)c1 ZINC000426596411 257245835 /nfs/dbraw/zinc/24/58/35/257245835.db2.gz ACELCCDGVBQLHY-GFCCVEGCSA-N 0 0 319.365 0.028 50 0 DCAARN Cn1cc(CCCNC(=O)[C@@H]2Cc3ccccc3C(=O)N2)cn1 ZINC000426597450 257246205 /nfs/dbraw/zinc/24/62/05/257246205.db2.gz VNMQMURBLPEVJB-HNNXBMFYSA-N 0 0 312.373 0.824 50 0 DCAARN Cn1ccnc1CNC(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000426545143 257247227 /nfs/dbraw/zinc/24/72/27/257247227.db2.gz VQNAIBZCPMRKSJ-ZDUSSCGKSA-N 0 0 311.349 0.507 50 0 DCAARN O=C(NCCS(=O)(=O)N1CCCC1)c1n[nH]c2c1CCC2 ZINC000426536586 257247230 /nfs/dbraw/zinc/24/72/30/257247230.db2.gz YQQFPAUMXGSELV-UHFFFAOYSA-N 0 0 312.395 0.054 50 0 DCAARN COCCN(Cc1cnn(C)c1)C(=O)NCCN1CCCC1=O ZINC000426512379 257247676 /nfs/dbraw/zinc/24/76/76/257247676.db2.gz YEFIYJMMMLDWHG-UHFFFAOYSA-N 0 0 323.397 0.201 50 0 DCAARN COCCN(CC(=O)[O-])C(=O)C[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000426517610 257247909 /nfs/dbraw/zinc/24/79/09/257247909.db2.gz RWANWGPUVJRHJF-GFCCVEGCSA-N 0 0 302.371 0.045 50 0 DCAARN COc1ncc(C(=O)NCCc2noc([C@@H]3CCCO3)n2)cn1 ZINC000426472650 257249184 /nfs/dbraw/zinc/24/91/84/257249184.db2.gz FRWMAOISDAGAHK-JTQLQIEISA-N 0 0 319.321 0.692 50 0 DCAARN Cc1nnc(CNC(=O)N2CCC3(CN(C)C(=O)O3)CC2)o1 ZINC000426477274 257249598 /nfs/dbraw/zinc/24/95/98/257249598.db2.gz UKGWRXCHCCYVKT-UHFFFAOYSA-N 0 0 309.326 0.504 50 0 DCAARN O=C([C@@H]1COC(=O)N1)N1CCCN(Cc2cccnc2)CC1 ZINC000426433711 257250098 /nfs/dbraw/zinc/25/00/98/257250098.db2.gz WKJOQJGLLNZTAI-ZDUSSCGKSA-N 0 0 304.350 0.224 50 0 DCAARN CN(CC(=O)NCc1nncn1CCc1ccccc1)C(N)=O ZINC000426420259 257251329 /nfs/dbraw/zinc/25/13/29/257251329.db2.gz SCOHRODAJLIFNR-UHFFFAOYSA-N 0 0 316.365 0.148 50 0 DCAARN CC(C)c1nnsc1CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000426420485 257251594 /nfs/dbraw/zinc/25/15/94/257251594.db2.gz DZVIMBYFSIGEJX-MRVPVSSYSA-N 0 0 303.409 0.712 50 0 DCAARN Cc1ccc(CNS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000012730916 257268340 /nfs/dbraw/zinc/26/83/40/257268340.db2.gz XEYZDWYAMIFJPQ-UHFFFAOYSA-N 0 0 309.347 0.159 50 0 DCAARN Cc1nc([C@@H]2CC(=O)N(C(C)C)C2)[nH]c1C(=O)N1CCOCC1 ZINC000023192820 257269153 /nfs/dbraw/zinc/26/91/53/257269153.db2.gz PMFHFTGHHKFHQL-GFCCVEGCSA-N 0 0 320.393 0.915 50 0 DCAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1CCNC(=O)CC1 ZINC000071839572 184863805 /nfs/dbraw/zinc/86/38/05/184863805.db2.gz NKKUUCGCXTUWOO-CYBMUJFWSA-N 0 0 315.373 0.926 50 0 DCAARN O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc[nH]c1=O ZINC000071841802 184866114 /nfs/dbraw/zinc/86/61/14/184866114.db2.gz PWZUDOCGVZPEQG-CQSZACIVSA-N 0 0 311.341 0.906 50 0 DCAARN CCNC(=O)CN(CC)S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000069608924 184824414 /nfs/dbraw/zinc/82/44/14/184824414.db2.gz OFQUCWKSWCLSCT-UHFFFAOYSA-N 0 0 312.391 0.768 50 0 DCAARN COC(=O)c1c(C)[nH]c(C(=O)N(C)CCN2CCOCC2)c1C ZINC000069616051 184825172 /nfs/dbraw/zinc/82/51/72/184825172.db2.gz OVRHLCBQDGGNOF-UHFFFAOYSA-N 0 0 323.393 0.822 50 0 DCAARN NS(=O)(=O)N1CCCN(c2cnc3ccccc3n2)CC1 ZINC000069652895 184831813 /nfs/dbraw/zinc/83/18/13/184831813.db2.gz DNMPZGKADJIUOR-UHFFFAOYSA-N 0 0 307.379 0.345 50 0 DCAARN O=C(c1ccncc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000071793451 184842895 /nfs/dbraw/zinc/84/28/95/184842895.db2.gz NDWUAJFISUVMCE-ZDUSSCGKSA-N 0 0 309.391 0.027 50 0 DCAARN Cn1cc([C@@H]2CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)cn1 ZINC000071796984 184844457 /nfs/dbraw/zinc/84/44/57/184844457.db2.gz KXCGQOIKIMIJBG-NSHDSACASA-N 0 0 319.365 0.414 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1cccc(OC)c1 ZINC000071892893 184891296 /nfs/dbraw/zinc/89/12/96/184891296.db2.gz VFVMHITVJPHBOT-YPMHNXCESA-N 0 0 308.334 0.242 50 0 DCAARN CCOc1ccccc1N1CCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC000002648848 134451379 /nfs/dbraw/zinc/45/13/79/134451379.db2.gz LHFPZOOHXCYGPI-LBPRGKRZSA-N 0 0 320.393 0.791 50 0 DCAARN Cn1nc(C(=O)Nc2ccccc2N2CCOCC2)ccc1=O ZINC000003352303 134454255 /nfs/dbraw/zinc/45/42/55/134454255.db2.gz GEUZZKPWRRKWPD-UHFFFAOYSA-N 0 0 314.345 0.869 50 0 DCAARN c1ccc(-n2nnnc2N2CCN(c3cnccn3)CC2)cc1 ZINC000011010744 134497432 /nfs/dbraw/zinc/49/74/32/134497432.db2.gz MCYLHABUZFBVCU-UHFFFAOYSA-N 0 0 308.349 0.779 50 0 DCAARN O=C(NCCOc1cc(N2CCOCC2)ncn1)c1ccco1 ZINC000035598372 134693164 /nfs/dbraw/zinc/69/31/64/134693164.db2.gz WXMIXGQIHKFDOT-UHFFFAOYSA-N 0 0 318.333 0.715 50 0 DCAARN CCOC(=O)N1CCN(c2ncc(C(=O)OC)c(N)n2)CC1 ZINC000067334683 134834198 /nfs/dbraw/zinc/83/41/98/134834198.db2.gz SZPIJSKFDKPWAA-UHFFFAOYSA-N 0 0 309.326 0.124 50 0 DCAARN Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCC(=O)N2)c1C ZINC000008413861 395684626 /nfs/dbraw/zinc/68/46/26/395684626.db2.gz HIVZMTKHLBEUCJ-CYBMUJFWSA-N 0 0 303.362 0.979 50 0 DCAARN NC(=O)CSc1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000008710510 395684907 /nfs/dbraw/zinc/68/49/07/395684907.db2.gz NYOXXBSXSSLVDE-UHFFFAOYSA-N 0 0 319.390 0.681 50 0 DCAARN Cc1cc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)no1 ZINC000008990203 395685013 /nfs/dbraw/zinc/68/50/13/395685013.db2.gz XPKXHDMURBFECH-UHFFFAOYSA-N 0 0 300.274 0.625 50 0 DCAARN O=CN(CCS(=O)(=O)N1CCCCC1)Cc1ccccn1 ZINC000008993293 395685016 /nfs/dbraw/zinc/68/50/16/395685016.db2.gz DSNXTKIPKZVMHB-UHFFFAOYSA-N 0 0 311.407 0.856 50 0 DCAARN Nc1nc(N)nc(CSc2nncn2Cc2ccco2)n1 ZINC000009316055 395685306 /nfs/dbraw/zinc/68/53/06/395685306.db2.gz CEUVXASZJWEKCH-UHFFFAOYSA-N 0 0 304.339 0.561 50 0 DCAARN C[C@H](C(N)=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000009512151 395685399 /nfs/dbraw/zinc/68/53/99/395685399.db2.gz DTTSOFOAVPSQAX-SECBINFHSA-N 0 0 317.436 0.365 50 0 DCAARN COCCn1c(=O)c2c(nc3oc(C(C)(C)C)cn32)n(C)c1=O ZINC000009789835 395685601 /nfs/dbraw/zinc/68/56/01/395685601.db2.gz DHMRRQCWYWSOAH-UHFFFAOYSA-N 0 0 320.349 0.885 50 0 DCAARN Cc1cc(S(N)(=O)=O)cc(NC(=O)Cn2ccnc2)c1C ZINC000010809718 395686223 /nfs/dbraw/zinc/68/62/23/395686223.db2.gz NGFFDUYFYKNTQV-UHFFFAOYSA-N 0 0 308.363 0.786 50 0 DCAARN Cn1ncc2c1ncnc2SCc1cc(=O)n(C)c(=O)n1C ZINC000011685842 395686832 /nfs/dbraw/zinc/68/68/32/395686832.db2.gz AWTRFCPWXNEAPF-UHFFFAOYSA-N 0 0 318.362 0.053 50 0 DCAARN O=C(COC(=O)c1cccc(-n2cnnn2)c1)NC1CCCC1 ZINC000012096486 395687151 /nfs/dbraw/zinc/68/71/51/395687151.db2.gz GMYSCSMTIUPLPZ-UHFFFAOYSA-N 0 0 315.333 0.878 50 0 DCAARN CCS(=O)(=O)N1CCN(c2cc(OC)nc(C)n2)CC1 ZINC000012224459 395687246 /nfs/dbraw/zinc/68/72/46/395687246.db2.gz COCMTLRIWZDKGA-UHFFFAOYSA-N 0 0 300.384 0.265 50 0 DCAARN O=C(Cn1ccnc1)N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000012305398 395687458 /nfs/dbraw/zinc/68/74/58/395687458.db2.gz YESWRNPQBRLJNP-OAHLLOKOSA-N 0 0 324.384 0.768 50 0 DCAARN C[C@H](O)CN1CC2=C(C1=O)[C@H](c1ccc(F)cc1)NC(=O)N2 ZINC000012345875 395687506 /nfs/dbraw/zinc/68/75/06/395687506.db2.gz CRWYIKADYNRFIW-SDBXPKJASA-N 0 0 305.309 0.657 50 0 DCAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CCN3c1ccccc1O ZINC000012422037 395687559 /nfs/dbraw/zinc/68/75/59/395687559.db2.gz KLOSRWCJNHHLBE-UHFFFAOYSA-N 0 0 313.317 0.291 50 0 DCAARN O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)NC1CC1 ZINC000012422958 395687615 /nfs/dbraw/zinc/68/76/15/395687615.db2.gz VIWRRUKHKMBWHP-UHFFFAOYSA-N 0 0 318.358 0.905 50 0 DCAARN COCCNc1nc2nonc2nc1N1CCC[C@H](COC)C1 ZINC000012453114 395687791 /nfs/dbraw/zinc/68/77/91/395687791.db2.gz ZMMQFBNULBMXIO-JTQLQIEISA-N 0 0 322.369 0.934 50 0 DCAARN C[C@@H](C(N)=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000012598745 395687867 /nfs/dbraw/zinc/68/78/67/395687867.db2.gz DTTSOFOAVPSQAX-VIFPVBQESA-N 0 0 317.436 0.365 50 0 DCAARN O=C(C[C@H]1CSc2nccc(=O)n21)NCc1ccccn1 ZINC000012666854 395687897 /nfs/dbraw/zinc/68/78/97/395687897.db2.gz USEFTCBNCQSILA-NSHDSACASA-N 0 0 302.359 0.992 50 0 DCAARN C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCC(C(N)=O)CC1 ZINC000012791453 395687964 /nfs/dbraw/zinc/68/79/64/395687964.db2.gz JOFULRJWKQEPOS-QMMMGPOBSA-N 0 0 324.406 0.371 50 0 DCAARN COc1ccc(CNC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC000012854909 395688069 /nfs/dbraw/zinc/68/80/69/395688069.db2.gz UZFGVSZOLQAQQO-CYBMUJFWSA-N 0 0 312.391 0.735 50 0 DCAARN NC(=O)NC(=O)COC(=O)c1cnn(Cc2ccccc2)c1 ZINC000012854630 395688072 /nfs/dbraw/zinc/68/80/72/395688072.db2.gz WDLGRVJXWIOAAT-UHFFFAOYSA-N 0 0 302.290 0.283 50 0 DCAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCc1c[nH]cn1 ZINC000013550544 395688688 /nfs/dbraw/zinc/68/86/88/395688688.db2.gz WXJURWXTIXTZCZ-UHFFFAOYSA-N 0 0 316.317 0.227 50 0 biogenic DCAARN Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NC[C@H]1CCCO1 ZINC000014031535 395689077 /nfs/dbraw/zinc/68/90/77/395689077.db2.gz DKVMIDYWKHBMHK-GHMZBOCLSA-N 0 0 309.391 0.884 50 0 DCAARN C[C@]1(C2CC2)NC(=O)N(Cc2nnnn2-c2ccccc2)C1=O ZINC000014164186 395689227 /nfs/dbraw/zinc/68/92/27/395689227.db2.gz HBOXLCHKHMFEGF-OAHLLOKOSA-N 0 0 312.333 0.883 50 0 DCAARN Cc1ccc(OCCN(C)C(=O)Cn2ccc(=O)[nH]c2=O)cc1 ZINC000014134552 395689266 /nfs/dbraw/zinc/68/92/66/395689266.db2.gz SYUSABYYWJAAPB-UHFFFAOYSA-N 0 0 317.345 0.382 50 0 DCAARN O=C(N1CCCCC1)N1CCN(c2ccc3nnnn3n2)CC1 ZINC000014333508 395689449 /nfs/dbraw/zinc/68/94/49/395689449.db2.gz SVQGGALCTPESJG-UHFFFAOYSA-N 0 0 316.369 0.247 50 0 DCAARN CN1CC(=O)N2CCN(C(=O)Nc3cccc(F)c3)C[C@@H]2C1=O ZINC000014530693 395689497 /nfs/dbraw/zinc/68/94/97/395689497.db2.gz BSJULXSYYCEEAV-GFCCVEGCSA-N 0 0 320.324 0.342 50 0 DCAARN O=C(NCCNC(=O)c1cccnc1)c1nc(C2CC2)no1 ZINC000015082899 395689747 /nfs/dbraw/zinc/68/97/47/395689747.db2.gz QQQCPMSOKMSWQV-UHFFFAOYSA-N 0 0 301.306 0.502 50 0 DCAARN Cn1c2ncc(C(=O)Nc3ccccn3)cc2c(=O)n(C)c1=O ZINC000022529652 395691878 /nfs/dbraw/zinc/69/18/78/395691878.db2.gz PSGSHKSOMVGDLO-UHFFFAOYSA-N 0 0 311.301 0.280 50 0 DCAARN COC(=O)CCNC(=O)CCn1cnc2ccccc2c1=O ZINC000023193239 395692244 /nfs/dbraw/zinc/69/22/44/395692244.db2.gz FZRAZJMNQLZUFM-UHFFFAOYSA-N 0 0 303.318 0.466 50 0 biogenic DCAARN O=C(c1ccc2n[nH]nc2c1)N1CCN(c2cnccn2)CC1 ZINC000025342986 395693447 /nfs/dbraw/zinc/69/34/47/395693447.db2.gz YOGGSMYXNHDCGO-UHFFFAOYSA-N 0 0 309.333 0.710 50 0 DCAARN Cn1cnnc1SC[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000025346846 395693503 /nfs/dbraw/zinc/69/35/03/395693503.db2.gz DKTDGJITZSQQNK-VIFPVBQESA-N 0 0 318.358 0.564 50 0 DCAARN Cc1ccccc1N(CC(=O)N1CCOCC1)S(C)(=O)=O ZINC000000068211 395679739 /nfs/dbraw/zinc/67/97/39/395679739.db2.gz VRHISEUBGQGSIJ-UHFFFAOYSA-N 0 0 312.391 0.620 50 0 DCAARN CCOC(=O)c1nnn(-c2nc(OCC)nc(N(C)C)n2)c1C ZINC000000105061 395679808 /nfs/dbraw/zinc/67/98/08/395679808.db2.gz ICMQKOZJWACFMK-UHFFFAOYSA-N 0 0 321.341 0.402 50 0 DCAARN COc1ccc(Nc2nc(=NN)nc(N3CCOCC3)[nH]2)cc1 ZINC000000187179 395679905 /nfs/dbraw/zinc/67/99/05/395679905.db2.gz WACYHLZUXSVDCR-UHFFFAOYSA-N 0 0 317.353 0.746 50 0 DCAARN COc1ccc(S(=O)(=O)NCCC(=O)N2CCCC2)cc1 ZINC000000215967 395680109 /nfs/dbraw/zinc/68/01/09/395680109.db2.gz LCKLDPPJKJWMDN-UHFFFAOYSA-N 0 0 312.391 0.986 50 0 DCAARN NC(=O)c1cccc(C(=O)N[C@@H](O)C(=O)c2ccc(F)cc2)n1 ZINC000000338809 395680133 /nfs/dbraw/zinc/68/01/33/395680133.db2.gz ZTRSDKMPHRISBC-HNNXBMFYSA-N 0 0 317.276 0.251 50 0 DCAARN COC(CNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)OC ZINC000000339394 395680145 /nfs/dbraw/zinc/68/01/45/395680145.db2.gz LSTWQXLALAPDCJ-UHFFFAOYSA-N 0 0 320.349 0.198 50 0 DCAARN O=S(=O)(NCc1ccco1)c1cccc(-n2cnnn2)c1 ZINC000000408884 395680342 /nfs/dbraw/zinc/68/03/42/395680342.db2.gz AZWRBAPCJXMUCI-UHFFFAOYSA-N 0 0 305.319 0.734 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(C)Cc1ccccc1 ZINC000000423263 395680434 /nfs/dbraw/zinc/68/04/34/395680434.db2.gz ZKTWPMMPOMDWCX-UHFFFAOYSA-N 0 0 309.347 0.192 50 0 DCAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccco1 ZINC000000466341 395680458 /nfs/dbraw/zinc/68/04/58/395680458.db2.gz LVVAPWXTNXCXEX-UHFFFAOYSA-N 0 0 320.326 0.741 50 0 DCAARN CCOC(=O)N1CCC(Nc2nc(OC)nc(OC)n2)CC1 ZINC000000619167 395680591 /nfs/dbraw/zinc/68/05/91/395680591.db2.gz JIVCGTZMRDHEGT-UHFFFAOYSA-N 0 0 311.342 0.922 50 0 DCAARN O=C(NCC1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@H]1CCCO1 ZINC000001456991 395680793 /nfs/dbraw/zinc/68/07/93/395680793.db2.gz XYSSQLSRICWXBQ-KGLIPLIRSA-N 0 0 310.394 0.699 50 0 DCAARN COc1ccc(S(=O)(=O)C[C@@H](O)CN2CCCC2=O)cc1 ZINC000001391334 395680835 /nfs/dbraw/zinc/68/08/35/395680835.db2.gz IJYFURPOEZEEOW-NSHDSACASA-N 0 0 313.375 0.452 50 0 DCAARN O=C(NCCCNC(=O)c1cncc(O)c1)c1cncc(O)c1 ZINC000001890728 395681288 /nfs/dbraw/zinc/68/12/88/395681288.db2.gz CKVFDYKGVXFENG-UHFFFAOYSA-N 0 0 316.317 0.438 50 0 DCAARN Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)ccc12 ZINC000002387029 395681574 /nfs/dbraw/zinc/68/15/74/395681574.db2.gz CQKHENXHLAUMBH-CRLRYRHBSA-N 0 0 322.313 0.308 50 0 in-vitro DCAARN NC(=O)CNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000002561193 395681636 /nfs/dbraw/zinc/68/16/36/395681636.db2.gz YQHPZEVGWUTGLC-GFCCVEGCSA-N 0 0 305.334 0.389 50 0 DCAARN NC(=O)[C@H]1CCCN(C(=S)NC(=O)/C=C/c2ccco2)C1 ZINC000002747162 395681746 /nfs/dbraw/zinc/68/17/46/395681746.db2.gz QIGMJANIZCOVQK-PORFMDCZSA-N 0 0 307.375 0.891 50 0 DCAARN CCn1cc(NC(=O)c2nn(C)c(C)c2Cl)c(C(N)=O)n1 ZINC000002781350 395681948 /nfs/dbraw/zinc/68/19/48/395681948.db2.gz SKIASEVAUZMOLA-UHFFFAOYSA-N 0 0 310.745 0.950 50 0 DCAARN COC(CNC(=O)CCNC(=O)c1ccc2c(c1)OCO2)OC ZINC000003021761 395682249 /nfs/dbraw/zinc/68/22/49/395682249.db2.gz HOUYJSHQJODOPT-UHFFFAOYSA-N 0 0 324.333 0.270 50 0 DCAARN COC(=O)[C@H]1SC[C@H]2C(=O)N(Cc3ccccc3)CC(=O)N21 ZINC000003048334 395682264 /nfs/dbraw/zinc/68/22/64/395682264.db2.gz VCXUJZJMURAMLH-SMDDNHRTSA-N 0 0 320.370 0.472 50 0 DCAARN CN(C)c1ccc(NC(=O)COC(=O)C2=NNC(=O)CC2)cc1 ZINC000004245863 395682462 /nfs/dbraw/zinc/68/24/62/395682462.db2.gz BAIWOELLZFDTFW-UHFFFAOYSA-N 0 0 318.333 0.500 50 0 DCAARN CCOC(=O)[C@]12C[C@@H](OCC)[C@@]1(c1ccccc1)NC(=O)C2=O ZINC000004665023 395682595 /nfs/dbraw/zinc/68/25/95/395682595.db2.gz SVUWVWZYTZXNMP-CSMYWGQOSA-N 0 0 317.341 0.939 50 0 DCAARN O=C1C2=C(CN1CCO)NC(=O)N[C@H]2c1ccccc1Cl ZINC000007778821 395683618 /nfs/dbraw/zinc/68/36/18/395683618.db2.gz JTOXYCCJQWQGEL-LBPRGKRZSA-N 0 0 307.737 0.783 50 0 DCAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)Cn2cncn2)cc1 ZINC000008048324 395683814 /nfs/dbraw/zinc/68/38/14/395683814.db2.gz UGLMHBHVIPFLCC-UHFFFAOYSA-N 0 0 323.378 0.604 50 0 DCAARN O=S(=O)(C1CC1)N1CCN(C[C@@H](O)c2cccs2)CC1 ZINC000085467271 395700823 /nfs/dbraw/zinc/70/08/23/395700823.db2.gz PIOLGYBNWKRCCE-GFCCVEGCSA-N 0 0 316.448 0.891 50 0 DCAARN COC(=O)c1occc1Cn1nnn(-c2cccs2)c1=O ZINC000029975094 395701552 /nfs/dbraw/zinc/70/15/52/395701552.db2.gz NNZRNFWQQVKRTP-UHFFFAOYSA-N 0 0 306.303 0.918 50 0 DCAARN O=C(NC[C@]1(O)CCc2ccccc2C1)C(=O)Nc1ccon1 ZINC000085560404 395701636 /nfs/dbraw/zinc/70/16/36/395701636.db2.gz PUKQOKNKBKRLNF-INIZCTEOSA-N 0 0 315.329 0.649 50 0 DCAARN CNC(=O)NC(=O)CN(C)Cc1ccc(Br)o1 ZINC000030214160 395701793 /nfs/dbraw/zinc/70/17/93/395701793.db2.gz FCDMUPWILSPQFO-UHFFFAOYSA-N 0 0 304.144 0.930 50 0 DCAARN CCCn1c(N)c(C(=O)CN2CCC[C@H](CC)C2)c(=O)[nH]c1=O ZINC000030142849 395702178 /nfs/dbraw/zinc/70/21/78/395702178.db2.gz KRZBKCXAMDTACM-NSHDSACASA-N 0 0 322.409 0.834 50 0 DCAARN Cn1nc(C(=O)N2CCOCC2)cc1C(=O)NC1CCCCC1 ZINC000036612413 395723925 /nfs/dbraw/zinc/72/39/25/395723925.db2.gz ZBJQVYMAVKNREG-UHFFFAOYSA-N 0 0 320.393 0.955 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)NCCc2ccccn2)o1 ZINC000032657784 395712331 /nfs/dbraw/zinc/71/23/31/395712331.db2.gz PWHABXZZOBALPV-UHFFFAOYSA-N 0 0 309.347 0.555 50 0 DCAARN O=S(=O)(NC[C@H]1CCS(=O)(=O)C1)c1cccc(F)c1 ZINC000032771429 395713156 /nfs/dbraw/zinc/71/31/56/395713156.db2.gz KXSKGHUWJQJTEM-SECBINFHSA-N 0 0 307.368 0.539 50 0 DCAARN COC(=O)c1cccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032912392 395714074 /nfs/dbraw/zinc/71/40/74/395714074.db2.gz OUARLAIHPNFTGS-CMPLNLGQSA-N 0 0 309.343 0.623 50 0 DCAARN COc1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@H]32)c(OC)c1 ZINC000032912475 395714087 /nfs/dbraw/zinc/71/40/87/395714087.db2.gz VATWDXNNZQSYIC-JOYOIKCWSA-N 0 0 311.359 0.854 50 0 DCAARN COC(=O)[C@@H](C)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 ZINC000032870507 395714362 /nfs/dbraw/zinc/71/43/62/395714362.db2.gz ROWKXCISBYLKHK-SECBINFHSA-N 0 0 316.379 0.919 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)c1cnc2ccccc2c1O ZINC000033013447 395715625 /nfs/dbraw/zinc/71/56/25/395715625.db2.gz JXWZWUNLIKVZMM-UHFFFAOYSA-N 0 0 323.374 0.197 50 0 DCAARN C[C@H]1CN(C)CCN1C(=O)c1ccc(N2CCOCC2)nc1 ZINC000089938578 395717010 /nfs/dbraw/zinc/71/70/10/395717010.db2.gz GBORODOCRMALHE-ZDUSSCGKSA-N 0 0 304.394 0.694 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000036708399 395724438 /nfs/dbraw/zinc/72/44/38/395724438.db2.gz MBLSFZAAFSMOLA-UHFFFAOYSA-N 0 0 306.322 0.838 50 0 DCAARN Cn1cnc(S(=O)(=O)NCCCN2CCOCC2)c1Cl ZINC000033891986 395717768 /nfs/dbraw/zinc/71/77/68/395717768.db2.gz KVYXJODMARQBIL-UHFFFAOYSA-N 0 0 322.818 0.074 50 0 DCAARN O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)NC1CCCC1 ZINC000035802385 395721688 /nfs/dbraw/zinc/72/16/88/395721688.db2.gz ISFYZNFODULTSM-CQSZACIVSA-N 0 0 309.410 0.368 50 0 DCAARN O=C(NCc1nnc2n1CCC2)c1ccc2c(c1)OCC(=O)N2 ZINC000036392618 395723387 /nfs/dbraw/zinc/72/33/87/395723387.db2.gz PRSSTFUSRPRFJR-UHFFFAOYSA-N 0 0 313.317 0.485 50 0 DCAARN CC(=O)N1CCN([C@H](C)C(=O)Nc2sccc2C(N)=O)CC1 ZINC000036476315 395723395 /nfs/dbraw/zinc/72/33/95/395723395.db2.gz ZOKYWQWICWWGFB-SECBINFHSA-N 0 0 324.406 0.338 50 0 DCAARN Cc1cc(C)n(CCNC(=O)C(=O)Nc2ccc(O)cc2)n1 ZINC000036359510 395723430 /nfs/dbraw/zinc/72/34/30/395723430.db2.gz YELJOIGJOPOAKO-UHFFFAOYSA-N 0 0 302.334 0.960 50 0 DCAARN NC(=O)C1CCN(C(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000028405577 395696065 /nfs/dbraw/zinc/69/60/65/395696065.db2.gz XSYHWIDLAGIKDC-ZDUSSCGKSA-N 0 0 303.362 0.897 50 0 DCAARN CN1C[C@H](C(=O)N2CCN(Cc3ccccc3F)CC2)CC1=O ZINC000028427634 395696114 /nfs/dbraw/zinc/69/61/14/395696114.db2.gz CEEMOTOOIXPUNA-CQSZACIVSA-N 0 0 319.380 0.948 50 0 DCAARN CC(C)Cn1c(N)c(C(=O)CN2CCC[C@@H](C)C2)c(=O)[nH]c1=O ZINC000028903813 395696383 /nfs/dbraw/zinc/69/63/83/395696383.db2.gz VVYMXDZCQIAHRI-LLVKDONJSA-N 0 0 322.409 0.689 50 0 DCAARN O=C(COc1ccccc1C(F)(F)F)NN1CC(=O)NC1=O ZINC000029019823 395696600 /nfs/dbraw/zinc/69/66/00/395696600.db2.gz LXKXXPSSKHZVQM-UHFFFAOYSA-N 0 0 317.223 0.667 50 0 DCAARN CC(C)Cn1c(N)c(C(=O)CN2CCC(C)CC2)c(=O)[nH]c1=O ZINC000028928031 395696686 /nfs/dbraw/zinc/69/66/86/395696686.db2.gz UVRUBTFMULVIOR-UHFFFAOYSA-N 0 0 322.409 0.689 50 0 DCAARN NC(=O)[C@H]1CC(C(=O)NC[C@H]2CCCO2)=NN1c1ccccc1 ZINC000029403504 395698055 /nfs/dbraw/zinc/69/80/55/395698055.db2.gz CQJGCAAYRGYTTQ-TZMCWYRMSA-N 0 0 316.361 0.402 50 0 DCAARN CCN(C[C@@H]1CN(Cc2nccn2C)CCO1)c1cccnn1 ZINC000084774689 395699211 /nfs/dbraw/zinc/69/92/11/395699211.db2.gz NSWPNBJYGSNQHY-AWEZNQCLSA-N 0 0 316.409 0.937 50 0 DCAARN COCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccoc3)C[C@]2(C(=O)[O-])C1 ZINC000091635942 395726844 /nfs/dbraw/zinc/72/68/44/395726844.db2.gz PIQCJGIIPXZYPP-IUODEOHRSA-N 0 0 308.334 0.385 50 0 DCAARN O=C(C1=NNC(=O)CC1)N1CCN(Cc2ccsc2)CC1 ZINC000037495345 395727986 /nfs/dbraw/zinc/72/79/86/395727986.db2.gz QUQFISOBHDCAAJ-UHFFFAOYSA-N 0 0 306.391 0.658 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)CN2c3ccccc3SCC2=O)C1 ZINC000041128209 395735765 /nfs/dbraw/zinc/73/57/65/395735765.db2.gz XIIAUVJFJWYUFY-SNVBAGLBSA-N 0 0 319.386 0.459 50 0 DCAARN Cc1n[nH]c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)cn21 ZINC000096102021 395744354 /nfs/dbraw/zinc/74/43/54/395744354.db2.gz SOHAVROAROXPHX-UHFFFAOYSA-N 0 0 310.379 0.752 50 0 DCAARN COC(=O)c1ccc(C(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000096103377 395744514 /nfs/dbraw/zinc/74/45/14/395744514.db2.gz NTCDPRSTISBTHP-LBPRGKRZSA-N 0 0 311.359 0.732 50 0 DCAARN NC(=O)Cc1nc(Cn2cnnc2)n(-c2ccc(Cl)cc2)n1 ZINC000096133490 395745567 /nfs/dbraw/zinc/74/55/67/395745567.db2.gz CSPCMUAKWGSMPB-UHFFFAOYSA-N 0 0 317.740 0.588 50 0 DCAARN O=C(Cn1cccc1)N1CC(S(=O)(=O)Cc2ccco2)C1 ZINC000096122104 395745784 /nfs/dbraw/zinc/74/57/84/395745784.db2.gz QUYNCKZYMBGBSL-UHFFFAOYSA-N 0 0 308.359 0.907 50 0 DCAARN O=C([C@@H]1CCCN(c2ccccn2)C1)N1CCS(=O)(=O)CC1 ZINC000096151668 395746207 /nfs/dbraw/zinc/74/62/07/395746207.db2.gz XBSVKTYJNDKRBI-CYBMUJFWSA-N 0 0 323.418 0.555 50 0 DCAARN C[C@@H]1CN(C(=O)/C=C\c2ccc(OCC(N)=O)cc2)CCO1 ZINC000096297749 395752407 /nfs/dbraw/zinc/75/24/07/395752407.db2.gz KQQLWWXZSLOTLZ-DJFZKKHWSA-N 0 0 304.346 0.811 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)/C=C\c2cnn(-c3ccccc3)n2)C1 ZINC000096296709 395752518 /nfs/dbraw/zinc/75/25/18/395752518.db2.gz UMSOJUYCQLPWLU-DGMVEKRQSA-N 0 0 311.345 0.614 50 0 DCAARN O=C(CCc1nc(C2CC2)no1)N1CCN(C2CC2)C(=O)C1 ZINC000096450188 395753429 /nfs/dbraw/zinc/75/34/29/395753429.db2.gz ZERCTUJQOVNRML-UHFFFAOYSA-N 0 0 304.350 0.713 50 0 DCAARN COc1c(CNC(=O)c2ccc3c(c2)nnn3C)c(C)nn1C ZINC000097082180 395754958 /nfs/dbraw/zinc/75/49/58/395754958.db2.gz IWTGMWWGWICQFK-UHFFFAOYSA-N 0 0 314.349 0.949 50 0 DCAARN CCc1nnc2n1C[C@@H](NC(=O)c1cnn3cccnc13)CC2 ZINC000097198024 395755586 /nfs/dbraw/zinc/75/55/86/395755586.db2.gz HXETYGAUUGRIRP-JTQLQIEISA-N 0 0 311.349 0.628 50 0 DCAARN Cc1nnc2n1C[C@H](NC(=O)CCOC[C@H]1CCCO1)CC2 ZINC000097198403 395755714 /nfs/dbraw/zinc/75/57/14/395755714.db2.gz VQKNMFLUSWFVAJ-CHWSQXEVSA-N 0 0 308.382 0.603 50 0 DCAARN O=C(NCCS(=O)(=O)N1CCCC1)c1cn2ccccc2n1 ZINC000097436943 395757716 /nfs/dbraw/zinc/75/77/16/395757716.db2.gz BFAPMOHSIVMISS-UHFFFAOYSA-N 0 0 322.390 0.490 50 0 DCAARN O=C(NCCCn1ccnc1)N1CCN(c2cnccn2)CC1 ZINC000042895629 395750352 /nfs/dbraw/zinc/75/03/52/395750352.db2.gz VXKLFZPAEKSQRA-UHFFFAOYSA-N 0 0 315.381 0.595 50 0 DCAARN O=C(NCCc1ccccn1)N1CCN(c2cnccn2)CC1 ZINC000042963011 395750908 /nfs/dbraw/zinc/75/09/08/395750908.db2.gz FPENWFONQFGBIU-UHFFFAOYSA-N 0 0 312.377 0.946 50 0 DCAARN CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)N2CCO[C@H](C)C2)C1 ZINC000107059113 395784442 /nfs/dbraw/zinc/78/44/42/395784442.db2.gz MHGQOIFSDNGCKT-YNEHKIRRSA-N 0 0 305.444 0.270 50 0 DCAARN CCn1cnnc1CNC(=O)CCNC(=O)Cc1ccccc1 ZINC000047021703 395786205 /nfs/dbraw/zinc/78/62/05/395786205.db2.gz YXFVBDHGZKOKRS-UHFFFAOYSA-N 0 0 315.377 0.663 50 0 DCAARN Cc1noc(C)c1CN1CCN(C(=O)[C@@H](C)n2cncn2)CC1 ZINC000047091732 395787424 /nfs/dbraw/zinc/78/74/24/395787424.db2.gz FDCCMBAJGAGBOB-GFCCVEGCSA-N 0 0 318.381 0.788 50 0 DCAARN c1ncn(CCN2CCN(Cc3cccc4nonc43)CC2)n1 ZINC000097694969 395759752 /nfs/dbraw/zinc/75/97/52/395759752.db2.gz CGCBZUFJTJYRCB-UHFFFAOYSA-N 0 0 313.365 0.632 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)c1cccnc1N1CCOCC1 ZINC000044951849 395760120 /nfs/dbraw/zinc/76/01/20/395760120.db2.gz RIMPKAZOUKQQEI-CYBMUJFWSA-N 0 0 315.377 0.933 50 0 DCAARN Cn1nc2n(c1=O)C[C@H](c1nnc(C3CCOCC3)[nH]1)CC2 ZINC000097805702 395761070 /nfs/dbraw/zinc/76/10/70/395761070.db2.gz LZKVLQWQXXZTMC-SNVBAGLBSA-N 0 0 304.354 0.324 50 0 DCAARN Cn1cc([C@@]2(C)CN(CC(=O)NCc3ccco3)CCO2)cn1 ZINC000098020323 395761382 /nfs/dbraw/zinc/76/13/82/395761382.db2.gz HTYSHXZIAUEILU-MRXNPFEDSA-N 0 0 318.377 0.877 50 0 DCAARN O=C(/C=C\c1ccc2c(c1)CCO2)N[C@H]1CCS(=O)(=O)C1 ZINC000098002321 395761430 /nfs/dbraw/zinc/76/14/30/395761430.db2.gz FVJXCPXLWMJJQM-LSYFEZSPSA-N 0 0 307.371 0.938 50 0 DCAARN Cc1cccnc1NC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000045407518 395762610 /nfs/dbraw/zinc/76/26/10/395762610.db2.gz JNWXZLRCBQPHJR-UHFFFAOYSA-N 0 0 312.395 0.936 50 0 DCAARN CN(C)c1ccc(N2C(=O)C[C@H](N3CCN(C)CC3)C2=O)cc1 ZINC000100790672 395763673 /nfs/dbraw/zinc/76/36/73/395763673.db2.gz SDAGICJVPIPTEO-HNNXBMFYSA-N 0 0 316.405 0.632 50 0 DCAARN CC[C@@H](C)n1nccc1NC(=O)c1c[nH]c2ncnn2c1=O ZINC000102364132 395769708 /nfs/dbraw/zinc/76/97/08/395769708.db2.gz SDYITWPYCHRMIU-MRVPVSSYSA-N 0 0 301.310 0.837 50 0 DCAARN COCCN1C[C@H](C(=O)NC[C@H]2Cc3ccccc3O2)CC1=O ZINC000046277572 395775206 /nfs/dbraw/zinc/77/52/06/395775206.db2.gz DBJZYGUZOKSUPI-ZIAGYGMSSA-N 0 0 318.373 0.601 50 0 DCAARN O=C(CCn1cncn1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000046423110 395776143 /nfs/dbraw/zinc/77/61/43/395776143.db2.gz ZXOLEXYJDVNHQL-GFCCVEGCSA-N 0 0 301.354 0.243 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1 ZINC000048332067 395813124 /nfs/dbraw/zinc/81/31/24/395813124.db2.gz QSVZRANHAVHKFF-UHFFFAOYSA-N 0 0 322.390 0.600 50 0 DCAARN CN(C)c1cncc(O[C@@H]2CCN(C(=O)Cn3cccn3)C2)n1 ZINC000225402858 395859118 /nfs/dbraw/zinc/85/91/18/395859118.db2.gz QWHHBMIJKLSDIO-GFCCVEGCSA-N 0 0 316.365 0.419 50 0 DCAARN C[C@@H](C(=O)NCC(=O)c1ccccc1)N1CCn2cnnc2C1 ZINC000195576360 395832299 /nfs/dbraw/zinc/83/22/99/395832299.db2.gz WWPBXKXKDHGQPQ-LBPRGKRZSA-N 0 0 313.361 0.481 50 0 DCAARN CCS(=O)(=O)N1CCC(C(=O)Nc2cc(C)[nH]n2)CC1 ZINC000049486328 395832534 /nfs/dbraw/zinc/83/25/34/395832534.db2.gz DGGBAAUTOZBPIA-UHFFFAOYSA-N 0 0 300.384 0.718 50 0 DCAARN Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)nn1 ZINC000225430070 395860237 /nfs/dbraw/zinc/86/02/37/395860237.db2.gz LPWGGPBATOJLHK-NEPJUHHUSA-N 0 0 304.350 0.243 50 0 DCAARN CN(C)c1ccc(CN2CCC[C@H]2C(=O)N2CCOCC2)cn1 ZINC000217727352 395840937 /nfs/dbraw/zinc/84/09/37/395840937.db2.gz ZEBGTFALOSRCJB-HNNXBMFYSA-N 0 0 318.421 0.971 50 0 DCAARN Cc1cccc(OCCC(=O)N2CCO[C@H](C(N)=O)C2)c1C ZINC000050853872 395841845 /nfs/dbraw/zinc/84/18/45/395841845.db2.gz NXAVSMDYYOPPNJ-AWEZNQCLSA-N 0 0 306.362 0.785 50 0 DCAARN CCCO[C@H](C)C(=O)NCCn1[nH]c(=O)c2ccccc2c1=O ZINC000219413966 395845477 /nfs/dbraw/zinc/84/54/77/395845477.db2.gz UKIJOPFMWJZLSS-LLVKDONJSA-N 0 0 319.361 0.621 50 0 DCAARN CSCC[C@H](O)C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000219987685 395847323 /nfs/dbraw/zinc/84/73/23/395847323.db2.gz DZMLYGWPLZAKLO-LBPRGKRZSA-N 0 0 321.406 0.939 50 0 DCAARN CN(C)c1ccc(C(=O)N2CCn3nc(CO)cc3C2)cn1 ZINC000220224439 395847689 /nfs/dbraw/zinc/84/76/89/395847689.db2.gz FSQRYSGDJCRBTF-UHFFFAOYSA-N 0 0 301.350 0.492 50 0 DCAARN Cn1cc([C@@H](NC(=O)c2c[nH]c(=O)cn2)C2CC(O)C2)cn1 ZINC000220717103 395849797 /nfs/dbraw/zinc/84/97/97/395849797.db2.gz RSDZTVJGHKEIGF-RHYVWVDMSA-N 0 0 303.322 0.158 50 0 DCAARN Cn1cccc(C(=O)N2CCC[C@@H](Oc3cccnn3)C2)c1=O ZINC000225451730 395860931 /nfs/dbraw/zinc/86/09/31/395860931.db2.gz DOQUWXXUCBPOFQ-GFCCVEGCSA-N 0 0 314.345 0.859 50 0 DCAARN O=C(CN1CCNC(=O)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000051379791 395850031 /nfs/dbraw/zinc/85/00/31/395850031.db2.gz USLPBRWRWABPLS-CQSZACIVSA-N 0 0 321.352 0.157 50 0 DCAARN CS(=O)(=O)NCCC(=O)NC[C@@H]1OCCc2ccccc21 ZINC000221262604 395850235 /nfs/dbraw/zinc/85/02/35/395850235.db2.gz XCNKXHWUQTVLEW-ZDUSSCGKSA-N 0 0 312.391 0.356 50 0 DCAARN NS(=O)(=O)N1CCN(C(=O)[C@H]2CCc3ccccc3C2)CC1 ZINC000221420061 395851309 /nfs/dbraw/zinc/85/13/09/395851309.db2.gz PUNKMWJVORDKRA-AWEZNQCLSA-N 0 0 323.418 0.139 50 0 DCAARN CCNC(=O)[C@H]1CCN(C(=O)c2ccc(N(C)CCO)cc2)C1 ZINC000222479234 395852909 /nfs/dbraw/zinc/85/29/09/395852909.db2.gz SJOMRPCVIWSVCB-AWEZNQCLSA-N 0 0 319.405 0.713 50 0 DCAARN O=C(Cc1c[nH]cn1)N[C@@H]1COCC[C@H]1Oc1ccccn1 ZINC000223320567 395855245 /nfs/dbraw/zinc/85/52/45/395855245.db2.gz YSMXXVAZBOBKRD-CHWSQXEVSA-N 0 0 302.334 0.700 50 0 DCAARN Cn1cccc1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000223825239 395856834 /nfs/dbraw/zinc/85/68/34/395856834.db2.gz IERKTSQGPKZOCD-UHFFFAOYSA-N 0 0 314.393 0.367 50 0 DCAARN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCOC[C@H]1C ZINC000047508670 395794451 /nfs/dbraw/zinc/79/44/51/395794451.db2.gz JDJHMGKWOQWUKA-MRVPVSSYSA-N 0 0 304.354 0.113 50 0 DCAARN CCOC(=O)C1=C(CN2CCO[C@H]3CCCC[C@@H]32)NC(=O)NC1 ZINC000051995799 395857769 /nfs/dbraw/zinc/85/77/69/395857769.db2.gz RQCOXIPSWQQPAV-KBPBESRZSA-N 0 0 323.393 0.760 50 0 DCAARN CN(C)c1cccc(NC(=O)CCC(=O)N2CCC(O)CC2)n1 ZINC000273139267 395903216 /nfs/dbraw/zinc/90/32/16/395903216.db2.gz TYARNXWASQNDRP-UHFFFAOYSA-N 0 0 320.393 0.850 50 0 DCAARN O=C(Cn1cnnn1)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000055402239 395918871 /nfs/dbraw/zinc/91/88/71/395918871.db2.gz HOVRJPQUBSTUNQ-CYBMUJFWSA-N 0 0 302.338 0.276 50 0 DCAARN Cc1ccc(O[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C2)nc1 ZINC000238882961 395923010 /nfs/dbraw/zinc/92/30/10/395923010.db2.gz POUMFLZBYLTFIJ-GFCCVEGCSA-N 0 0 317.345 0.519 50 0 DCAARN Cc1nn(C)cc1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 ZINC000244852909 395925162 /nfs/dbraw/zinc/92/51/62/395925162.db2.gz VBNMYOVJYVIWBF-SCDSUCTJSA-N 0 0 303.366 0.704 50 0 DCAARN O=C(NCCc1nnn[n-]1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000244899836 395926170 /nfs/dbraw/zinc/92/61/70/395926170.db2.gz ZRGXZTLEXYTUDW-AWEZNQCLSA-N 0 0 314.393 0.913 50 0 DCAARN CCS(=O)(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000225730088 395862796 /nfs/dbraw/zinc/86/27/96/395862796.db2.gz AQKQUOCFTUQJRY-UHFFFAOYSA-N 0 0 324.328 0.967 50 0 DCAARN CC(C)Oc1ccc(C(=O)NCC2(C(N)=O)CCOCC2)cn1 ZINC000052744873 395868860 /nfs/dbraw/zinc/86/88/60/395868860.db2.gz FGHGHHVJTSJSOP-UHFFFAOYSA-N 0 0 321.377 0.881 50 0 DCAARN NC(=O)C1(CNC(=O)Cc2ccc3c(c2)CCO3)CCOCC1 ZINC000052743891 395868913 /nfs/dbraw/zinc/86/89/13/395868913.db2.gz QQBYLVYDVOSDQS-UHFFFAOYSA-N 0 0 318.373 0.562 50 0 DCAARN NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)NCC(F)(F)F ZINC000229316602 395873847 /nfs/dbraw/zinc/87/38/47/395873847.db2.gz OUNLBXISZQNYNT-UTLUCORTSA-N 0 0 307.316 0.783 50 0 DCAARN C[C@@H]1C[C@@H](N2CCN(c3ccc4nncn4n3)[C@@H](C)C2)C(=O)O1 ZINC000229543200 395874952 /nfs/dbraw/zinc/87/49/52/395874952.db2.gz KTTYJZMRAQDOHB-QJPTWQEYSA-N 0 0 316.365 0.339 50 0 DCAARN NC(=O)[C@H](c1ccccc1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000229803191 395876647 /nfs/dbraw/zinc/87/66/47/395876647.db2.gz NNDSEDFROSCVEB-KGLIPLIRSA-N 0 0 301.350 0.206 50 0 DCAARN CCOC(=O)[C@]12C[C@H](OCC)[C@]1(c1ccccc1)NC(=O)C2=O ZINC000230129490 395878919 /nfs/dbraw/zinc/87/89/19/395878919.db2.gz SVUWVWZYTZXNMP-VUCTXSBTSA-N 0 0 317.341 0.939 50 0 DCAARN O=C(Cc1ccc(-n2cnnn2)cc1)N1CCO[C@H]2CCC[C@H]21 ZINC000053385133 395882146 /nfs/dbraw/zinc/88/21/46/395882146.db2.gz ITRUYJZCQLTRQY-CABCVRRESA-N 0 0 313.361 0.985 50 0 DCAARN O=C(Cc1ccc(-n2cnnn2)cc1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000053385132 395882235 /nfs/dbraw/zinc/88/22/35/395882235.db2.gz ITRUYJZCQLTRQY-LSDHHAIUSA-N 0 0 313.361 0.985 50 0 DCAARN O=C(CN1CCC(c2cc[nH]n2)CC1)N[C@@H]1CCCCNC1=O ZINC000058342895 395953340 /nfs/dbraw/zinc/95/33/40/395953340.db2.gz XBCWQPHOSYHSNI-CQSZACIVSA-N 0 0 319.409 0.374 50 0 DCAARN CCc1cc(=O)n(CC(=O)NCc2ccccc2OC)c(N)n1 ZINC000065310916 395992328 /nfs/dbraw/zinc/99/23/28/395992328.db2.gz IUQBGVRPYFWUGI-UHFFFAOYSA-N 0 0 316.361 0.713 50 0 DCAARN CC(C)[C@H](C(=O)N1CCN(c2ncccn2)CC1)n1cncn1 ZINC000065467490 395994216 /nfs/dbraw/zinc/99/42/16/395994216.db2.gz NQVMOWASMSGZCS-CYBMUJFWSA-N 0 0 315.381 0.614 50 0 DCAARN O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)C1=NNC(=O)CC1 ZINC000252527426 396022224 /nfs/dbraw/zinc/02/22/24/396022224.db2.gz CNPMDSDFHHASJP-VYUIOLGVSA-N 0 0 307.375 0.942 50 0 DCAARN CN(C)c1ncccc1O[C@H]1CCN(S(=O)(=O)N(C)C)C1 ZINC000252509080 396022227 /nfs/dbraw/zinc/02/22/27/396022227.db2.gz YCCOAFVIDOUDKW-NSHDSACASA-N 0 0 314.411 0.407 50 0 DCAARN Cn1ccnc1C(=O)N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 ZINC000252532904 396022789 /nfs/dbraw/zinc/02/27/89/396022789.db2.gz FLBOXBXPRDMSOF-UBHSHLNASA-N 0 0 300.362 0.927 50 0 DCAARN CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)c3ccnnc3)C2)n1C ZINC000252539884 396022996 /nfs/dbraw/zinc/02/29/96/396022996.db2.gz OPZKDPSPNXASQH-TXEJJXNPSA-N 0 0 315.381 0.343 50 0 DCAARN C[C@@H]1CN(S(C)(=O)=O)[C@H](C)CN1CCOCC(F)F ZINC000252551766 396023328 /nfs/dbraw/zinc/02/33/28/396023328.db2.gz UGSFSHPVKNYFKE-NXEZZACHSA-N 0 0 300.371 0.622 50 0 DCAARN C[C@]12CCC(=O)N1[C@H](C(=O)N[C@H]1CCc3nccn3C1)CS2 ZINC000253370571 396026168 /nfs/dbraw/zinc/02/61/68/396026168.db2.gz SOGIEMALIOTPKM-PGUXBMHVSA-N 0 0 320.418 0.768 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@H]1COC ZINC000253413218 396027758 /nfs/dbraw/zinc/02/77/58/396027758.db2.gz UDUYOFGMUICBGC-DZGCQCFKSA-N 0 0 320.389 0.841 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ncc[nH]2)o1 ZINC000253422965 396027937 /nfs/dbraw/zinc/02/79/37/396027937.db2.gz MKGPEGSCCUGDNR-VIFPVBQESA-N 0 0 324.362 0.888 50 0 DCAARN C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@H](c2ccsc2)O1 ZINC000253432341 396028651 /nfs/dbraw/zinc/02/86/51/396028651.db2.gz ZLAFTULWNNHREI-WCQYABFASA-N 0 0 324.402 0.895 50 0 DCAARN COC(=O)[C@@H]1CCCN1CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000254739749 396032207 /nfs/dbraw/zinc/03/22/07/396032207.db2.gz YQSJQFQVQXCKTH-YPMHNXCESA-N 0 0 320.393 0.852 50 0 DCAARN COC(=O)[C@H]1CCCN1CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000254739747 396032366 /nfs/dbraw/zinc/03/23/66/396032366.db2.gz YQSJQFQVQXCKTH-DGCLKSJQSA-N 0 0 320.393 0.852 50 0 DCAARN O=C(C=c1[nH]c(=O)c(=Cc2cccnc2)s1)c1ccncc1 ZINC000254852917 396032399 /nfs/dbraw/zinc/03/23/99/396032399.db2.gz BMMNHAPMXNAORU-UHFFFAOYSA-N 0 0 309.350 0.719 50 0 DCAARN Cc1csc(S(=O)(=O)N[C@H]2C[C@H]3CN(C)CCN3C2)c1 ZINC000067816893 396034779 /nfs/dbraw/zinc/03/47/79/396034779.db2.gz FMCQTDMYWDUQGQ-RYUDHWBXSA-N 0 0 315.464 0.723 50 0 DCAARN CCn1nc(N2CCC[C@H](NC(=O)c3cn[nH]c3)C2)ccc1=O ZINC000257192348 396035102 /nfs/dbraw/zinc/03/51/02/396035102.db2.gz UCBCNUYTLBICMD-LBPRGKRZSA-N 0 0 316.365 0.385 50 0 DCAARN COC[C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1C(N)=O ZINC000257193828 396035889 /nfs/dbraw/zinc/03/58/89/396035889.db2.gz SAHUVGGNPAEINO-UONOGXRCSA-N 0 0 306.362 0.410 50 0 DCAARN CCn1c(=O)[nH]nc1C1CCN(c2nc(C(N)=O)cs2)CC1 ZINC000067856031 396037258 /nfs/dbraw/zinc/03/72/58/396037258.db2.gz WRPIMDHTDZUPIP-UHFFFAOYSA-N 0 0 322.394 0.531 50 0 DCAARN COc1ccc2[nH]c(=O)c(CN3CC[C@@]([NH3+])(C(=O)[O-])C3)cc2c1 ZINC000067967310 396040160 /nfs/dbraw/zinc/04/01/60/396040160.db2.gz SSKUXISGAJCTRK-INIZCTEOSA-N 0 0 317.345 0.525 50 0 DCAARN CCc1nc(C)ccc1OCC(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC000067982599 396041389 /nfs/dbraw/zinc/04/13/89/396041389.db2.gz STEUDUSLIWDGCJ-NSHDSACASA-N 0 0 310.375 0.758 50 0 DCAARN CCc1noc(CN2CCC[C@@H]([C@]3(C)NC(=O)N(C)C3=O)C2)n1 ZINC000257365962 396047093 /nfs/dbraw/zinc/04/70/93/396047093.db2.gz DKSFSXHWJAYWIM-BMIGLBTASA-N 0 0 321.381 0.784 50 0 DCAARN CCOCCN1CCN(CC(=O)N(C)c2nccs2)CC1 ZINC000069655583 396086365 /nfs/dbraw/zinc/08/63/65/396086365.db2.gz FJULVSZPZDPSAD-UHFFFAOYSA-N 0 0 312.439 0.760 50 0 DCAARN CCOCCN1CCN(CC(=O)Nc2nncs2)C[C@@H]1C ZINC000069706674 396087450 /nfs/dbraw/zinc/08/74/50/396087450.db2.gz KMFHJWQVHLJXBE-NSHDSACASA-N 0 0 313.427 0.519 50 0 DCAARN C[C@@H](Cn1ccnc1)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000069739198 396088176 /nfs/dbraw/zinc/08/81/76/396088176.db2.gz OHAIWPFEVTZRPN-UWVGGRQHSA-N 0 0 318.299 0.799 50 0 DCAARN O[C@H](CN1CCO[C@H](Cn2cncn2)C1)c1ccc(F)c(F)c1 ZINC000069814092 396090991 /nfs/dbraw/zinc/09/09/91/396090991.db2.gz HIGJVYURWLLGRM-SWLSCSKDSA-N 0 0 324.331 0.991 50 0 DCAARN CCOCC(=O)N1CCc2nc(N3CCN(C)CC3)sc2C1 ZINC000169749260 396091201 /nfs/dbraw/zinc/09/12/01/396091201.db2.gz XHGOFRSMGCCNOY-UHFFFAOYSA-N 0 0 324.450 0.816 50 0 DCAARN COCc1nc([C@@H]2CCCN(C(=O)c3ccnn3C)C2)no1 ZINC000169750051 396091232 /nfs/dbraw/zinc/09/12/32/396091232.db2.gz IELZBIOXPDTQDY-SNVBAGLBSA-N 0 0 305.338 0.969 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000069842524 396091986 /nfs/dbraw/zinc/09/19/86/396091986.db2.gz HWOOLXRSFWNCPR-ZDUSSCGKSA-N 0 0 306.362 0.944 50 0 DCAARN COCCN1CCN(CCS(=O)(=O)C(F)(F)F)C[C@@H]1C ZINC000069844737 396091995 /nfs/dbraw/zinc/09/19/95/396091995.db2.gz DLMFDZGRTAZNPL-JTQLQIEISA-N 0 0 318.361 0.574 50 0 DCAARN c1cc2c(ncnc2N2CCN(c3ccc4nncn4n3)CC2)[nH]1 ZINC000069846125 396092158 /nfs/dbraw/zinc/09/21/58/396092158.db2.gz ZGDGLLFZNLJEAW-UHFFFAOYSA-N 0 0 321.348 0.722 50 0 DCAARN CCOCC(=O)N1CCC(N2C(=O)[C@@H](O)C23CCCCC3)CC1 ZINC000169788608 396092657 /nfs/dbraw/zinc/09/26/57/396092657.db2.gz RACAWYZGCUVUNZ-OAHLLOKOSA-N 0 0 324.421 0.920 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)NC[C@@H]1CCCCC(=O)N1 ZINC000169785185 396092705 /nfs/dbraw/zinc/09/27/05/396092705.db2.gz ZXXSZFXSVCOTQQ-NSHDSACASA-N 0 0 317.345 0.770 50 0 DCAARN CNC(=O)N1CCC([C@@H]2CCN(C(=O)c3nccn3C)C2)CC1 ZINC000169789080 396093342 /nfs/dbraw/zinc/09/33/42/396093342.db2.gz MKKCZLHWMBAQMP-CYBMUJFWSA-N 0 0 319.409 0.934 50 0 DCAARN COCC(=O)N1CC[C@H](Oc2ncccc2C(=O)N(C)C)C1 ZINC000169792311 396094110 /nfs/dbraw/zinc/09/41/10/396094110.db2.gz LILNSJJJNMUUKY-NSHDSACASA-N 0 0 307.350 0.410 50 0 DCAARN C[C@](O)(CCNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000170085592 396094390 /nfs/dbraw/zinc/09/43/90/396094390.db2.gz BTCKQHNULBYCQY-WFASDCNBSA-N 0 0 311.403 0.835 50 0 DCAARN C[C@@]1(COC(=O)c2ccc(-n3ccnn3)cc2)CNC(=O)C1 ZINC000170609364 396094947 /nfs/dbraw/zinc/09/49/47/396094947.db2.gz RUZUZBIZKONBRE-HNNXBMFYSA-N 0 0 300.318 0.950 50 0 DCAARN C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000069922877 396095711 /nfs/dbraw/zinc/09/57/11/396095711.db2.gz CYKKRSPCLIYHGC-KGLIPLIRSA-N 0 0 314.426 0.486 50 0 DCAARN CCCS(=O)(=O)CC(=O)N1CCC[C@H]1[C@@H]1CCCN1C ZINC000069952008 396096007 /nfs/dbraw/zinc/09/60/07/396096007.db2.gz DQPOPXLRZDIYKQ-STQMWFEESA-N 0 0 302.440 0.896 50 0 DCAARN CC(C)c1nc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c[nH]1 ZINC000069975387 396097124 /nfs/dbraw/zinc/09/71/24/396097124.db2.gz GBVCHUZOYQTESO-CYBMUJFWSA-N 0 0 320.393 0.997 50 0 DCAARN CS(=O)(=O)NCCSc1nc(-c2ccccc2)cn1N ZINC000069977636 396097424 /nfs/dbraw/zinc/09/74/24/396097424.db2.gz UTZZRNLHPGDJTF-UHFFFAOYSA-N 0 0 312.420 0.905 50 0 DCAARN C[C@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)N1CCCC[C@H]1C ZINC000070036580 396098776 /nfs/dbraw/zinc/09/87/76/396098776.db2.gz CGCPPHUVTWRSNV-NEPJUHHUSA-N 0 0 323.393 0.431 50 0 DCAARN O=S(=O)(Cc1cccc(F)c1)NCC1(O)CCOCC1 ZINC000070638935 396102674 /nfs/dbraw/zinc/10/26/74/396102674.db2.gz ZDQZSNZZGSTTEI-UHFFFAOYSA-N 0 0 303.355 0.787 50 0 DCAARN Cc1cc(C(=O)Nc2cnn(C)c2)nc(N2CCOCC2)n1 ZINC000071195484 396110876 /nfs/dbraw/zinc/11/08/76/396110876.db2.gz PEFOHNQQAMPCHK-UHFFFAOYSA-N 0 0 302.338 0.607 50 0 DCAARN O=C(CN1CCC(N2CCCC2=O)CC1)NCc1ccccn1 ZINC000071761574 396114740 /nfs/dbraw/zinc/11/47/40/396114740.db2.gz QWKAPQLIJMEPAN-UHFFFAOYSA-N 0 0 316.405 0.785 50 0 DCAARN CN(C[C@@H]1CCCCO1)Cn1nnn(-c2cccs2)c1=O ZINC000071821671 396117172 /nfs/dbraw/zinc/11/71/72/396117172.db2.gz DRGBNEKOZBSVKH-NSHDSACASA-N 0 0 309.395 0.949 50 0 DCAARN NC(=O)[C@@H](CNC(=O)[C@H]1COCCO1)Cc1ccc(F)cc1 ZINC000071826880 396117205 /nfs/dbraw/zinc/11/72/05/396117205.db2.gz WZMLTIQPOKUBPK-DGCLKSJQSA-N 0 0 310.325 0.001 50 0 DCAARN Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN(c3cnccn3)CC2)cn1 ZINC000071830466 396117859 /nfs/dbraw/zinc/11/78/59/396117859.db2.gz NIFVYXCGGZAQRV-KBPBESRZSA-N 0 0 312.377 0.662 50 0 DCAARN O=C(Cn1nnc(-c2ccccc2)n1)N1CCN(C2CC2)CC1 ZINC000071836688 396118045 /nfs/dbraw/zinc/11/80/45/396118045.db2.gz ALADCXDHAYPUIH-UHFFFAOYSA-N 0 0 312.377 0.647 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)c2cnc(-c3ccco3)s2)CCO1 ZINC000171536288 396118090 /nfs/dbraw/zinc/11/80/90/396118090.db2.gz GJBJWIZYBUCXOQ-VIFPVBQESA-N 0 0 307.331 0.729 50 0 DCAARN Cc1cnn(C[C@H]2CCCN2C(=O)[C@@H](C)N2CCOCC2)c1 ZINC000071869969 396119463 /nfs/dbraw/zinc/11/94/63/396119463.db2.gz OAUYRAHDQHKPNP-HUUCEWRRSA-N 0 0 306.410 0.903 50 0 DCAARN CCn1ccnc1CN1CCN(CCn2cncn2)C[C@@H]1C ZINC000071863881 396119574 /nfs/dbraw/zinc/11/95/74/396119574.db2.gz JYKVEVNEMWXEIG-AWEZNQCLSA-N 0 0 303.414 0.701 50 0 DCAARN Cc1noc2ncc(C(=O)N3CCN(C[C@@H](C)O)CC3)cc12 ZINC000071871172 396120637 /nfs/dbraw/zinc/12/06/37/396120637.db2.gz YXRDHOHXYDECOW-SNVBAGLBSA-N 0 0 304.350 0.670 50 0 DCAARN Cn1cnc2c1CCN(CC(=O)NCCOc1ccccc1)C2 ZINC000071878980 396122622 /nfs/dbraw/zinc/12/26/22/396122622.db2.gz AYCIGQKWBPRGPF-UHFFFAOYSA-N 0 0 314.389 0.973 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)CC1 ZINC000071881897 396122999 /nfs/dbraw/zinc/12/29/99/396122999.db2.gz IOZDNWHMYFULSW-QLFBSQMISA-N 0 0 322.405 0.925 50 0 DCAARN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000071893170 396123278 /nfs/dbraw/zinc/12/32/78/396123278.db2.gz XKPOWSITRBQZQU-HZSPNIEDSA-N 0 0 309.410 0.034 50 0 DCAARN CC(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2nccs2)C1 ZINC000071892349 396123434 /nfs/dbraw/zinc/12/34/34/396123434.db2.gz JUCLZAIFXGMWBI-JTQLQIEISA-N 0 0 324.406 0.845 50 0 DCAARN Cc1ccc(-n2nnnc2N2CCC[C@H](OCCO)C2)cc1 ZINC000071908977 396124286 /nfs/dbraw/zinc/12/42/86/396124286.db2.gz IHPCNOLHNPVYQW-AWEZNQCLSA-N 0 0 303.366 0.948 50 0 DCAARN O=C(CNC(=O)C(=O)Nc1ccc2n[nH]cc2c1)N1CCCC1 ZINC000071920387 396125300 /nfs/dbraw/zinc/12/53/00/396125300.db2.gz BTGCMJATHWHDBS-UHFFFAOYSA-N 0 0 315.333 0.240 50 0 DCAARN CCCOC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@@H](C)O ZINC000071921347 396125369 /nfs/dbraw/zinc/12/53/69/396125369.db2.gz NSCRCESGDOWOKW-SCZZXKLOSA-N 0 0 307.393 0.729 50 0 DCAARN Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)n1 ZINC000072235400 396127236 /nfs/dbraw/zinc/12/72/36/396127236.db2.gz DGHSZGZGOCSYLV-QWHCGFSZSA-N 0 0 305.382 0.537 50 0 DCAARN Cc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)c(=O)[nH]1 ZINC000072277097 396129094 /nfs/dbraw/zinc/12/90/94/396129094.db2.gz YQBOGHPPIXTBLP-CYBMUJFWSA-N 0 0 317.389 0.866 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cnn(C)c3)CCO2)[nH]1 ZINC000072299549 396130981 /nfs/dbraw/zinc/13/09/81/396130981.db2.gz WZZLMOHHNZHHFL-AGIUHOORSA-N 0 0 316.365 0.550 50 0 DCAARN COCCc1noc(CN2CCO[C@H](Cn3cc(C)cn3)C2)n1 ZINC000069436242 396077874 /nfs/dbraw/zinc/07/78/74/396077874.db2.gz MGMNLQJNNIHCST-ZDUSSCGKSA-N 0 0 321.381 0.664 50 0 DCAARN Cc1cc(NC(=O)CCN2CCO[C@H](Cn3cccn3)C2)no1 ZINC000069418236 396078233 /nfs/dbraw/zinc/07/82/33/396078233.db2.gz ZUNYBEOXKDATAE-ZDUSSCGKSA-N 0 0 319.365 0.909 50 0 DCAARN Cc1nnc2n1CCN(C(=O)c1cnn(-c3ccccc3)n1)C2 ZINC000069511434 396081265 /nfs/dbraw/zinc/08/12/65/396081265.db2.gz GHBSIFZRBXJCSE-UHFFFAOYSA-N 0 0 309.333 0.823 50 0 DCAARN Cc1cc(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)no1 ZINC000069630453 396085555 /nfs/dbraw/zinc/08/55/55/396085555.db2.gz GCFCUOIROOHCOB-GFCCVEGCSA-N 0 0 304.354 0.925 50 0 DCAARN O=C(CN1C(=O)c2ccc(F)cc2C1=O)NC[C@H]1CCCO1 ZINC000176787095 396160777 /nfs/dbraw/zinc/16/07/77/396160777.db2.gz PADDXIQBSQYCSF-SNVBAGLBSA-N 0 0 306.293 0.717 50 0 DCAARN O=C([C@@H]1COc2ccccc2O1)N1CC(=O)N(CC2CC2)C1 ZINC000279432819 396174780 /nfs/dbraw/zinc/17/47/80/396174780.db2.gz LAFRWQRNIZCDCL-AWEZNQCLSA-N 0 0 302.330 0.865 50 0 DCAARN NS(=O)(=O)CCNC(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000075121109 396176487 /nfs/dbraw/zinc/17/64/87/396176487.db2.gz LIQZXYUWYCPNLE-UHFFFAOYSA-N 0 0 321.358 0.060 50 0 DCAARN Cc1ncc2c(n1)CN(CC(=O)N1CCCC[C@@H]1C(N)=O)CC2 ZINC000075584782 396181773 /nfs/dbraw/zinc/18/17/73/396181773.db2.gz PDYZGOFFQMFXTI-CQSZACIVSA-N 0 0 317.393 0.010 50 0 DCAARN CC(=O)N1CCCC[C@H]1CC(=O)N1CCN(C[C@H](C)O)CC1 ZINC000075603017 396182670 /nfs/dbraw/zinc/18/26/70/396182670.db2.gz VIKVLTMTGDSQFW-ZFWWWQNUSA-N 0 0 311.426 0.303 50 0 DCAARN NC(=O)[C@@H]1CCC[C@H]1NC(=O)CCS(=O)(=O)C1CCCC1 ZINC000076042301 396191990 /nfs/dbraw/zinc/19/19/90/396191990.db2.gz QCEHHIJMKSNHTM-VXGBXAGGSA-N 0 0 316.423 0.504 50 0 DCAARN Cc1nc([C@H]2CCCN2C(=O)Cc2nc3ncccn3n2)no1 ZINC000076043605 396193077 /nfs/dbraw/zinc/19/30/77/396193077.db2.gz BQAQVBHXGBUZRC-SNVBAGLBSA-N 0 0 313.321 0.722 50 0 DCAARN Cc1nnc([C@@H]2CN(CC(=O)N(C)Cc3ccco3)CCO2)[nH]1 ZINC000076048864 396193919 /nfs/dbraw/zinc/19/39/19/396193919.db2.gz CVAVZYQBVKJUIO-ZDUSSCGKSA-N 0 0 319.365 0.738 50 0 DCAARN CCOc1nnc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)s1 ZINC000076048173 396194171 /nfs/dbraw/zinc/19/41/71/396194171.db2.gz DRWVXJIFKWHZJN-VIFPVBQESA-N 0 0 310.383 0.937 50 0 DCAARN Cc1noc(CCCC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000076052228 396194793 /nfs/dbraw/zinc/19/47/93/396194793.db2.gz UYBHZGUCXBRHMJ-TZMCWYRMSA-N 0 0 322.409 0.880 50 0 DCAARN Cc1nc(Cl)cc(NC[C@@](C)(O)CN2CCOCC2)n1 ZINC000078343444 396242846 /nfs/dbraw/zinc/24/28/46/396242846.db2.gz DNXCOZJSKCXPII-CYBMUJFWSA-N 0 0 300.790 0.934 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)CCc2cccnc2)CC1 ZINC000078351951 396243455 /nfs/dbraw/zinc/24/34/55/396243455.db2.gz AFWWMOJBZUGHAU-UHFFFAOYSA-N 0 0 311.407 0.554 50 0 DCAARN CS(=O)(=O)CCNC(=O)N[C@H]1CCN(c2ccccc2)C1 ZINC000078605077 396249305 /nfs/dbraw/zinc/24/93/05/396249305.db2.gz YNWNRUGEIBJFHQ-LBPRGKRZSA-N 0 0 311.407 0.609 50 0 DCAARN Cn1cc(CCCN2CCO[C@@H](CNc3cccnn3)C2)cn1 ZINC000078893715 396256987 /nfs/dbraw/zinc/25/69/87/396256987.db2.gz FKCBKIJEHAGNSB-HNNXBMFYSA-N 0 0 316.409 0.956 50 0 DCAARN O=C(NCCCN1CCOCC1)C1(n2cnnn2)CCCCC1 ZINC000079501351 396265825 /nfs/dbraw/zinc/26/58/25/396265825.db2.gz NIDCLNAPBISQIY-UHFFFAOYSA-N 0 0 322.413 0.171 50 0 DCAARN Cc1csc([C@@H](C)CNC(=O)N2CCS(=O)(=O)CC2)n1 ZINC000183940723 396278338 /nfs/dbraw/zinc/27/83/38/396278338.db2.gz GRHSFJWFZYOMGZ-VIFPVBQESA-N 0 0 317.436 0.995 50 0 DCAARN CCOCCn1c(=O)[nH]c2cc(C(=O)N3CCOCC3)ccc21 ZINC000077358983 396219489 /nfs/dbraw/zinc/21/94/89/396219489.db2.gz MUHULSQZXDMHMU-UHFFFAOYSA-N 0 0 319.361 0.839 50 0 DCAARN CN1CC2(CC1=O)CCN(C(=O)Cn1ccccc1=O)CC2 ZINC000077438686 396222204 /nfs/dbraw/zinc/22/22/04/396222204.db2.gz VJUFXUZVWOFMQJ-UHFFFAOYSA-N 0 0 303.362 0.319 50 0 DCAARN CN(CC(=O)N1CCOC[C@H](CO)C1)Cc1ccc(F)cc1 ZINC000077457121 396223358 /nfs/dbraw/zinc/22/33/58/396223358.db2.gz NTKAZHIWKDSPTD-AWEZNQCLSA-N 0 0 310.369 0.725 50 0 DCAARN Cc1cccn2c(CC(=O)N3CCOC[C@@H](CO)C3)cnc12 ZINC000077471459 396224312 /nfs/dbraw/zinc/22/43/12/396224312.db2.gz GGWGCWZZDMDKOE-CYBMUJFWSA-N 0 0 303.362 0.653 50 0 DCAARN NS(=O)(=O)c1ccccc1C[C@@H]1CCCS(=O)(=O)C1 ZINC000077472328 396224410 /nfs/dbraw/zinc/22/44/10/396224410.db2.gz BHJJDOIXMAWCGL-JTQLQIEISA-N 0 0 303.405 0.701 50 0 DCAARN NC(=O)NCC(=O)N1CCC([C@@H](O)CCc2ccccc2)CC1 ZINC000077565283 396226546 /nfs/dbraw/zinc/22/65/46/396226546.db2.gz QRJABHUQPCUPGH-HNNXBMFYSA-N 0 0 319.405 0.887 50 0 DCAARN CCn1ccnc1CN1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000083843617 396317166 /nfs/dbraw/zinc/31/71/66/396317166.db2.gz WYRPDWWNULZJNK-HNNXBMFYSA-N 0 0 305.382 0.808 50 0 DCAARN Cc1nnc(NC(=O)Cn2c(C)cc(O)cc2=O)n1C1CC1 ZINC000285822531 396356087 /nfs/dbraw/zinc/35/60/87/396356087.db2.gz TYHREIYCDFJMLQ-UHFFFAOYSA-N 0 0 303.322 0.736 50 0 DCAARN COc1cc(NC(=O)N2CC[C@@](O)(c3nc(C)no3)C2)ccn1 ZINC000287657948 396414718 /nfs/dbraw/zinc/41/47/18/396414718.db2.gz KMWBWHRXCKZXND-AWEZNQCLSA-N 0 0 319.321 0.907 50 0 DCAARN COC[C@@H](C)NC(=O)C1CCN(C(=O)c2cc(N)ccn2)CC1 ZINC000584885122 396632602 /nfs/dbraw/zinc/63/26/02/396632602.db2.gz HOVQKHDCFNUYFF-LLVKDONJSA-N 0 0 320.393 0.667 50 0 DCAARN Cc1c(O)cccc1C(=O)N1CC[C@]2(C1)CN(C)C(=O)CO2 ZINC000584893020 396634203 /nfs/dbraw/zinc/63/42/03/396634203.db2.gz CWRLYXFSKSERKH-MRXNPFEDSA-N 0 0 304.346 0.774 50 0 DCAARN Cc1ncn(C)c1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000584895930 396634462 /nfs/dbraw/zinc/63/44/62/396634462.db2.gz RSAPBGTVZONHLJ-ZDUSSCGKSA-N 0 0 320.393 0.440 50 0 DCAARN CN(CCN1CCOCC1)C(=O)Cn1nc2ccccc2n1 ZINC000584894389 396634944 /nfs/dbraw/zinc/63/49/44/396634944.db2.gz KIQAVKUFYNZLNS-UHFFFAOYSA-N 0 0 303.366 0.222 50 0 DCAARN CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)C1(CO)CC1 ZINC000584897225 396635480 /nfs/dbraw/zinc/63/54/80/396635480.db2.gz YWEYIOBLNPIGFT-LLVKDONJSA-N 0 0 304.412 0.079 50 0 DCAARN CS(=O)(=O)NCCNC(=O)NCCSc1ccccn1 ZINC000584899503 396636203 /nfs/dbraw/zinc/63/62/03/396636203.db2.gz TUPBYNWHHSRSIX-UHFFFAOYSA-N 0 0 318.424 0.022 50 0 DCAARN COCCN1C[C@@H](CNC(=O)c2ccc(O)cc2C)CC1=O ZINC000584903056 396637058 /nfs/dbraw/zinc/63/70/58/396637058.db2.gz NHCNSTCYNDSCCA-GFCCVEGCSA-N 0 0 306.362 0.925 50 0 DCAARN O=C(C(=O)N1CCCN(C(=O)c2ccoc2)CC1)N1CCCC1 ZINC000584903838 396637082 /nfs/dbraw/zinc/63/70/82/396637082.db2.gz JYILVEMRGFAVFV-UHFFFAOYSA-N 0 0 319.361 0.577 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CC(N3CCNC3=O)C2)s1 ZINC000296051242 396703511 /nfs/dbraw/zinc/70/35/11/396703511.db2.gz OOKJTNOZYHPIDP-UHFFFAOYSA-N 0 0 301.393 0.455 50 0 DCAARN COC1(C(=O)N2CCn3c(nn(CC(F)F)c3=O)C2)CCC1 ZINC000364748963 397243163 /nfs/dbraw/zinc/24/31/63/397243163.db2.gz IBVAKMWKHNUUBD-UHFFFAOYSA-N 0 0 316.308 0.221 50 0 DCAARN O=S(=O)(N1CCOCC1)N1CCn2nc(C3CC3)cc2C1 ZINC000390828853 397303254 /nfs/dbraw/zinc/30/32/54/397303254.db2.gz BYXAYWDXYRLBRD-UHFFFAOYSA-N 0 0 312.395 0.153 50 0 DCAARN CCn1[nH]ccc1=NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000606346793 397679568 /nfs/dbraw/zinc/67/95/68/397679568.db2.gz DKAFTUIXKPMACQ-UHFFFAOYSA-N 0 0 322.390 0.828 50 0 DCAARN CO[C@]12CCN(C(=O)c3cc(CO)ccn3)[C@H]1C[C@H](O)CC2 ZINC000299792854 286174903 /nfs/dbraw/zinc/17/49/03/286174903.db2.gz HHLQBBXKGALBEW-IVMMDQJWSA-N 0 0 306.362 0.718 50 0 DCAARN O=C(c1cc(N2CCNC2=O)ccc1F)N1CCC(O)CC1 ZINC000408203076 160059266 /nfs/dbraw/zinc/05/92/66/160059266.db2.gz KHXRHUHZVLHRCD-UHFFFAOYSA-N 0 0 307.325 0.952 50 0 DCAARN O=C(Cn1ncsc1=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000135471077 196477446 /nfs/dbraw/zinc/47/74/46/196477446.db2.gz JVESJHWZDIYFIF-GFCCVEGCSA-N 0 0 318.402 0.948 50 0 DCAARN CC(C)C[C@H](CNC(=O)C1=NN(C)C(=O)CC1)N1CCOCC1 ZINC000022970448 415159799 /nfs/dbraw/zinc/15/97/99/415159799.db2.gz ODMZFBWCDZJIOQ-CYBMUJFWSA-N 0 0 324.425 0.458 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cnn(C)c2)o1 ZINC000025304042 415160388 /nfs/dbraw/zinc/16/03/88/415160388.db2.gz RQXVSKSZXWOTGL-UHFFFAOYSA-N 0 0 312.351 0.193 50 0 DCAARN C[C@@H](NC(N)=O)C(=O)NCc1ccccc1Cn1cccn1 ZINC000025406480 415160827 /nfs/dbraw/zinc/16/08/27/415160827.db2.gz PQYGFEFNJIPQKP-LLVKDONJSA-N 0 0 301.350 0.604 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)c2ccc(N(C)C)nc2)CC1 ZINC000025235908 415160854 /nfs/dbraw/zinc/16/08/54/415160854.db2.gz ISWBOVKGAPNHJD-UHFFFAOYSA-N 0 0 319.409 0.088 50 0 DCAARN CS(=O)(=O)N1CCC(C(=O)NCCc2ccccn2)CC1 ZINC000025323004 415162984 /nfs/dbraw/zinc/16/29/84/415162984.db2.gz BAGRXWDMQMPTGG-UHFFFAOYSA-N 0 0 311.407 0.412 50 0 DCAARN COc1ccc(N2CCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 ZINC000000393299 415124140 /nfs/dbraw/zinc/12/41/40/415124140.db2.gz AELYALPTMNIENU-UHFFFAOYSA-N 0 0 313.317 0.584 50 0 biogenic DCAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cnn(C)c1)C2=O ZINC000025305471 415163501 /nfs/dbraw/zinc/16/35/01/415163501.db2.gz YEYQIEORMVALHO-MEBBXXQBSA-N 0 0 319.365 0.859 50 0 DCAARN C[C@@]12c3[nH]c4ccccc4c3CCN1C(=O)CN(CCO)C2=O ZINC000004073655 415130185 /nfs/dbraw/zinc/13/01/85/415130185.db2.gz FNBPBWFYVIBNDV-KRWDZBQOSA-N 0 0 313.357 0.602 50 0 biogenic DCAARN CNC(=O)NC(=O)[C@@H](Sc1nnnn1C)c1ccccc1 ZINC000006643608 415134662 /nfs/dbraw/zinc/13/46/62/415134662.db2.gz QVXJCCKCBILPLN-VIFPVBQESA-N 0 0 306.351 0.499 50 0 DCAARN Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)NC2CC2)c1 ZINC000007159295 415135894 /nfs/dbraw/zinc/13/58/94/415135894.db2.gz BZQKJJDWUKJDOM-UHFFFAOYSA-N 0 0 304.346 0.855 50 0 DCAARN O=C(/C=C/c1ccccc1)OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000007058568 415137018 /nfs/dbraw/zinc/13/70/18/415137018.db2.gz QDAOYASWNFHGMP-YBJDMEARSA-N 0 0 323.370 0.546 50 0 DCAARN COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C)cc1OC ZINC000007309415 415137104 /nfs/dbraw/zinc/13/71/04/415137104.db2.gz AIYSZKXLLQAMFZ-UHFFFAOYSA-N 0 0 316.379 0.413 50 0 DCAARN C[C@@]1(NS(=O)(=O)c2ccccc2F)CCS(=O)(=O)C1 ZINC000007304256 415137615 /nfs/dbraw/zinc/13/76/15/415137615.db2.gz RJXXOPOWBYPPPH-LLVKDONJSA-N 0 0 307.368 0.681 50 0 DCAARN Cn1c2nc(Cl)n(CC(=O)c3ccc[nH]3)c2c(=O)n(C)c1=O ZINC000007778409 415139313 /nfs/dbraw/zinc/13/93/13/415139313.db2.gz OQLIEBAVIIQROA-UHFFFAOYSA-N 0 0 321.724 0.298 50 0 DCAARN COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CCO)C3)cc1 ZINC000007573161 415140502 /nfs/dbraw/zinc/14/05/02/415140502.db2.gz LIEQBSJICUFCJK-CYBMUJFWSA-N 0 0 303.318 0.138 50 0 DCAARN COc1ccc(C)cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000007667653 415142160 /nfs/dbraw/zinc/14/21/60/415142160.db2.gz ALMKZVWOJNRWRQ-JTQLQIEISA-N 0 0 319.404 0.469 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=S)Nc1ccccc1 ZINC000008691435 415145166 /nfs/dbraw/zinc/14/51/66/415145166.db2.gz GTLPHQUYEJAACF-NSHDSACASA-N 0 0 307.375 0.747 50 0 DCAARN C[C@@H]1COCCN1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000026451990 415167706 /nfs/dbraw/zinc/16/77/06/415167706.db2.gz VKVFCAVKEWQDSB-LLVKDONJSA-N 0 0 300.380 0.434 50 0 DCAARN CNC(=O)CN1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000026976147 415169124 /nfs/dbraw/zinc/16/91/24/415169124.db2.gz ASPHHJAGCJZUAY-UHFFFAOYSA-N 0 0 311.407 0.175 50 0 DCAARN O=C(CNc1cccc(C(=O)N2CCCC2)c1)N1CCNC1=O ZINC000026805225 415169402 /nfs/dbraw/zinc/16/94/02/415169402.db2.gz ZUBLMYONJRBTEO-UHFFFAOYSA-N 0 0 316.361 0.886 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)n(C)c1 ZINC000027883780 415172831 /nfs/dbraw/zinc/17/28/31/415172831.db2.gz AAVPNTYKALHYSJ-CABZTGNLSA-N 0 0 315.395 0.231 50 0 DCAARN CS(=O)(=O)NCCNS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000044329514 415218167 /nfs/dbraw/zinc/21/81/67/415218167.db2.gz YPVRLKUDJANGJF-UHFFFAOYSA-N 0 0 318.420 0.003 50 0 DCAARN C[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000044939088 415234351 /nfs/dbraw/zinc/23/43/51/415234351.db2.gz ONXMPFKLSNODNM-JTQLQIEISA-N 0 0 321.764 0.937 50 0 DCAARN CC(C)CN1CCO[C@@H](CNS(=O)(=O)c2cnn(C)c2)C1 ZINC000044937339 415235461 /nfs/dbraw/zinc/23/54/61/415235461.db2.gz OWUNYFIDHUZTRX-LBPRGKRZSA-N 0 0 316.427 0.055 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)NCc1cccnc1N(C)C ZINC000044954700 415237843 /nfs/dbraw/zinc/23/78/43/415237843.db2.gz NXMVRRHHTCMSMS-ZDUSSCGKSA-N 0 0 321.425 0.668 50 0 DCAARN C[C@@H](C(=O)N1CCN(Cc2cccnc2)CC1)S(C)(=O)=O ZINC000044949418 415238356 /nfs/dbraw/zinc/23/83/56/415238356.db2.gz IUSUDQMDYXKCHH-LBPRGKRZSA-N 0 0 311.407 0.159 50 0 DCAARN O=C(Nc1cccnc1N1CCCC1)N[C@H]1CCS(=O)(=O)C1 ZINC000044952050 415239501 /nfs/dbraw/zinc/23/95/01/415239501.db2.gz CBEOELBYQCJFEA-NSHDSACASA-N 0 0 324.406 0.990 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)COC)cc1 ZINC000044973257 415240855 /nfs/dbraw/zinc/24/08/55/415240855.db2.gz ASEGASANWRZZAI-JTQLQIEISA-N 0 0 300.380 0.702 50 0 DCAARN O=C(NCc1ccc(N2CCOCC2)nc1)Nc1cn[nH]c1 ZINC000045376021 415247254 /nfs/dbraw/zinc/24/72/54/415247254.db2.gz BUDBISJQASKUPM-UHFFFAOYSA-N 0 0 302.338 0.963 50 0 DCAARN O=C(CCn1cccn1)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 ZINC000046050192 415253422 /nfs/dbraw/zinc/25/34/22/415253422.db2.gz YOMVFOJEAGJXQS-GJZGRUSLSA-N 0 0 322.409 0.127 50 0 DCAARN Cc1ccc2nnc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)nc2c1 ZINC000046088944 415255157 /nfs/dbraw/zinc/25/51/57/415255157.db2.gz PLMXITWKNRMMEG-SNVBAGLBSA-N 0 0 320.374 0.592 50 0 DCAARN C[C@@H]1CN(CCNC(=O)NCCNc2ccccn2)C[C@@H](C)O1 ZINC000047500804 415270051 /nfs/dbraw/zinc/27/00/51/415270051.db2.gz ZSHFACDTXRQOKJ-ZIAGYGMSSA-N 0 0 321.425 0.902 50 0 DCAARN C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccn1 ZINC000044369853 415220519 /nfs/dbraw/zinc/22/05/19/415220519.db2.gz MYDYYDOQFXKUKG-NWDGAFQWSA-N 0 0 311.407 0.930 50 0 DCAARN C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1cccnc1 ZINC000044387784 415221176 /nfs/dbraw/zinc/22/11/76/415221176.db2.gz XLTLVCOSGKYYCX-YPMHNXCESA-N 0 0 311.407 0.930 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1cnn(-c2ccccc2)n1 ZINC000044457076 415222841 /nfs/dbraw/zinc/22/28/41/415222841.db2.gz MHJMPZWIAXJXKY-LLVKDONJSA-N 0 0 320.374 0.432 50 0 DCAARN Cc1noc(C)c1CCC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000044457114 415223262 /nfs/dbraw/zinc/22/32/62/415223262.db2.gz PABFSRCCNPBKSC-LLVKDONJSA-N 0 0 300.380 0.775 50 0 DCAARN Cc1cccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)n1 ZINC000044890095 415229012 /nfs/dbraw/zinc/22/90/12/415229012.db2.gz BPLPXVVQIYOJHZ-UHFFFAOYSA-N 0 0 318.358 0.826 50 0 DCAARN COc1ncccc1CNC(=O)[C@H]1CC(=O)N(CC2CC2)C1 ZINC000044911954 415230335 /nfs/dbraw/zinc/23/03/35/415230335.db2.gz NYUPZTGVZLLKTJ-ZDUSSCGKSA-N 0 0 303.362 0.965 50 0 DCAARN O=C(NC(C1CC1)C1CC1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000044896393 415231015 /nfs/dbraw/zinc/23/10/15/415231015.db2.gz OXEPNROWTFDJMG-UHFFFAOYSA-N 0 0 321.402 0.789 50 0 DCAARN CN(C)[C@@H](CNS(=O)(=O)N1CCOCC1)c1ccco1 ZINC000044896166 415231375 /nfs/dbraw/zinc/23/13/75/415231375.db2.gz UCVIHAICZIWVIH-NSHDSACASA-N 0 0 303.384 0.049 50 0 DCAARN NC(=O)NC[C@@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 ZINC000048287353 415286547 /nfs/dbraw/zinc/28/65/47/415286547.db2.gz NTFYPZLVLLWUJK-JTQLQIEISA-N 0 0 321.406 0.636 50 0 DCAARN Cc1cc(NC(=O)NCCCn2nc3n(c2=O)CCCC3)no1 ZINC000048234279 415288355 /nfs/dbraw/zinc/28/83/55/415288355.db2.gz GDBCQKWYXUQTEZ-UHFFFAOYSA-N 0 0 320.353 0.889 50 0 DCAARN CCN(CC(=O)NC(C)C)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000048314923 415291188 /nfs/dbraw/zinc/29/11/88/415291188.db2.gz ONFASUBMJNCCQS-LBPRGKRZSA-N 0 0 305.444 0.810 50 0 DCAARN CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCCn1ccnc1 ZINC000048303852 415292329 /nfs/dbraw/zinc/29/23/29/415292329.db2.gz SBWZJLGMKQGFEW-GFCCVEGCSA-N 0 0 314.411 0.204 50 0 DCAARN Cn1cc(C(=O)NC2CCN(C(=O)C[C@@H]3CCCO3)CC2)cn1 ZINC000049011344 415302256 /nfs/dbraw/zinc/30/22/56/415302256.db2.gz PMRBSVKKUKTKAE-AWEZNQCLSA-N 0 0 320.393 0.710 50 0 DCAARN CN(C)C(=O)Cn1cc(C(=O)N(C)C(C2CC2)C2CC2)nn1 ZINC000050399020 415314052 /nfs/dbraw/zinc/31/40/52/415314052.db2.gz WEZGAFHHMFCHGR-UHFFFAOYSA-N 0 0 305.382 0.627 50 0 DCAARN O=C(NCCN1CCOCC1)c1ccc2c(c1)NC(=O)CO2 ZINC000060781203 415347541 /nfs/dbraw/zinc/34/75/41/415347541.db2.gz OKTVBDMKDGKTCG-UHFFFAOYSA-N 0 0 305.334 0.729 50 0 DCAARN CCCN1CCN(C(=O)c2cccnc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072474477 415412825 /nfs/dbraw/zinc/41/28/25/415412825.db2.gz SCMZXVNLHTZXNR-KGLIPLIRSA-N 0 0 323.418 0.415 50 0 DCAARN CC(C)Cc1cc(C(=O)N2CCNC(=O)[C@@H]2C(C)C)nc(N)n1 ZINC000067833348 415386714 /nfs/dbraw/zinc/38/67/14/415386714.db2.gz FPXVWWIEZWVJTL-ZDUSSCGKSA-N 0 0 319.409 0.854 50 0 DCAARN Cc1cc(C)n(-c2cncc(N3CCS(=O)(=O)CC3)n2)n1 ZINC000084927215 415501441 /nfs/dbraw/zinc/50/14/41/415501441.db2.gz FEEXDNCNLTWGSO-UHFFFAOYSA-N 0 0 307.379 0.514 50 0 DCAARN CN1CCN(C2CCN(CC(=O)NCC(F)(F)F)CC2)C1=O ZINC000075131415 415436674 /nfs/dbraw/zinc/43/66/74/415436674.db2.gz RLJQXOMFUNMZGS-UHFFFAOYSA-N 0 0 322.331 0.497 50 0 DCAARN O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCN(CCO)CC1 ZINC000075572399 415445745 /nfs/dbraw/zinc/44/57/45/415445745.db2.gz LGUGBOHBXYRQIJ-UHFFFAOYSA-N 0 0 318.352 0.762 50 0 DCAARN Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2nc1C ZINC000075572129 415446075 /nfs/dbraw/zinc/44/60/75/415446075.db2.gz ZBSOJZIBFHWJDN-UHFFFAOYSA-N 0 0 314.389 0.997 50 0 DCAARN CC(C)c1nc([C@@H]2CCCN2CC(=O)N2CCNC2=O)no1 ZINC000075581759 415446113 /nfs/dbraw/zinc/44/61/13/415446113.db2.gz IGAMVABUCFFEDT-JTQLQIEISA-N 0 0 307.354 0.882 50 0 DCAARN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CO)cc1 ZINC000095349455 415549673 /nfs/dbraw/zinc/54/96/73/415549673.db2.gz WPZVNAPXARJXAS-QWRGUYRKSA-N 0 0 314.407 0.874 50 0 DCAARN CCN1C[C@@H](C(=O)NCCCc2nnc3ccccn32)CC1=O ZINC000095360060 415552023 /nfs/dbraw/zinc/55/20/23/415552023.db2.gz QZWJFXLBVMWLAX-LBPRGKRZSA-N 0 0 315.377 0.647 50 0 DCAARN CN(C)C(=O)c1cccc(S(=O)(=O)NCc2nccn2C)c1 ZINC000095354800 415554955 /nfs/dbraw/zinc/55/49/55/415554955.db2.gz DOJJJXJNOKQCDJ-UHFFFAOYSA-N 0 0 322.390 0.600 50 0 DCAARN CN(CC(=O)N1CCN(C2CC2)CC1)c1ncnc2nc[nH]c21 ZINC000095956204 415562193 /nfs/dbraw/zinc/56/21/93/415562193.db2.gz YLCWDXXIZMFUGI-UHFFFAOYSA-N 0 0 315.381 0.096 50 0 DCAARN CC(=O)N[C@@H](C(=O)N1CCC[C@H](NC(C)=O)C1)C1CCCC1 ZINC000095950672 415563000 /nfs/dbraw/zinc/56/30/00/415563000.db2.gz RFKGJKZQBKGIHU-LSDHHAIUSA-N 0 0 309.410 0.808 50 0 DCAARN Cc1cc(NC(=O)CSCC(=O)N(C)C2CC(O)C2)no1 ZINC000095940285 415564955 /nfs/dbraw/zinc/56/49/55/415564955.db2.gz GAQZPSZJTRALTI-UHFFFAOYSA-N 0 0 313.379 0.636 50 0 DCAARN CC(C)NC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000095951621 415565042 /nfs/dbraw/zinc/56/50/42/415565042.db2.gz DTPQITUNURTYBF-NWDGAFQWSA-N 0 0 304.412 0.773 50 0 DCAARN CN1CCN(C(=O)CN2CCC(NC(=O)C3CCC3)CC2)CC1 ZINC000095459078 415565326 /nfs/dbraw/zinc/56/53/26/415565326.db2.gz XJSSSLDHRQOIRF-UHFFFAOYSA-N 0 0 322.453 0.141 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)NCc2c(C)noc2C)o1 ZINC000095955340 415565743 /nfs/dbraw/zinc/56/57/43/415565743.db2.gz TUEIATLVTVCFHC-UHFFFAOYSA-N 0 0 313.335 0.723 50 0 DCAARN Cc1nn(C)c(Cl)c1CN1CCC[C@@H]1CS(N)(=O)=O ZINC000095972557 415567054 /nfs/dbraw/zinc/56/70/54/415567054.db2.gz ZCBFBICFSMPUAK-SECBINFHSA-N 0 0 306.819 0.635 50 0 DCAARN CCn1c(=O)cc(N2CC[C@H](CNc3ccccn3)C2)[nH]c1=O ZINC000095997110 415567186 /nfs/dbraw/zinc/56/71/86/415567186.db2.gz LPVXEEPHLGHKFN-GFCCVEGCSA-N 0 0 315.377 0.890 50 0 DCAARN NS(=O)(=O)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000096004465 415567707 /nfs/dbraw/zinc/56/77/07/415567707.db2.gz XLMMNRSWYLNJDK-UHFFFAOYSA-N 0 0 306.391 0.687 50 0 DCAARN COC(=O)C[C@@H](C)NC(=O)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000095985747 415568796 /nfs/dbraw/zinc/56/87/96/415568796.db2.gz QURJMBWLZUDUEZ-SECBINFHSA-N 0 0 324.333 0.710 50 0 DCAARN CNC(=O)c1cnc(/C=C\c2cn(C)c(=O)n(C)c2=O)s1 ZINC000096032912 415571291 /nfs/dbraw/zinc/57/12/91/415571291.db2.gz AZVLLXQFFYPHGN-PLNGDYQASA-N 0 0 306.347 0.071 50 0 DCAARN Cn1cnc(S(=O)(=O)NC[C@](C)(O)c2cccs2)c1 ZINC000096025992 415572613 /nfs/dbraw/zinc/57/26/13/415572613.db2.gz DETNCNMYELTVPP-NSHDSACASA-N 0 0 301.393 0.668 50 0 DCAARN C[C@@H]1CN(C[C@@H](O)Cn2cnc3sccc3c2=O)C[C@H](C)O1 ZINC000106830538 415648324 /nfs/dbraw/zinc/64/83/24/415648324.db2.gz GSTXRNABKYSWEI-GRYCIOLGSA-N 0 0 323.418 0.928 50 0 DCAARN CN(C)C(=O)N1CC[N@H+](Cc2ccccc2C(=O)[O-])C[C@H](O)C1 ZINC000097099485 415582418 /nfs/dbraw/zinc/58/24/18/415582418.db2.gz NEALVPWZCGQFHD-ZDUSSCGKSA-N 0 0 321.377 0.545 50 0 DCAARN NC(=O)c1ccc(N2CCN(C[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000097141612 415584850 /nfs/dbraw/zinc/58/48/50/415584850.db2.gz RZNGIUQCHSUYLW-GFCCVEGCSA-N 0 0 317.311 0.831 50 0 DCAARN Cc1nc2ncccn2c1C(=O)NCCNC(=O)c1cccnc1 ZINC000097117507 415586299 /nfs/dbraw/zinc/58/62/99/415586299.db2.gz KDHRECQUSXTMOK-UHFFFAOYSA-N 0 0 324.344 0.593 50 0 DCAARN Cc1cnc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cn1 ZINC000112033232 415702421 /nfs/dbraw/zinc/70/24/21/415702421.db2.gz OFJWIYFJXOQNCA-QMMMGPOBSA-N 0 0 302.256 0.678 50 0 DCAARN CC(C)c1noc(CCNS(=O)(=O)[C@@H]2CCO[C@H]2C)n1 ZINC000135603350 415960672 /nfs/dbraw/zinc/96/06/72/415960672.db2.gz ROOBAJVLYJVBNQ-VHSXEESVSA-N 0 0 303.384 0.832 50 0 DCAARN CN1C(=O)C[C@H](NS(N)(=O)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000156028351 415997496 /nfs/dbraw/zinc/99/74/96/415997496.db2.gz NBPFVRFEEPBXIU-ONGXEEELSA-N 0 0 303.771 0.405 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)Cc2ccc3c(c2)OCO3)cn1 ZINC000299100058 416052088 /nfs/dbraw/zinc/05/20/88/416052088.db2.gz VXDRXSWGMPJELQ-UHFFFAOYSA-N 0 0 316.317 0.539 50 0 DCAARN CNC(=O)[C@H]1CC[C@H](CNC(=O)c2cn(C)c(C)cc2=O)CC1 ZINC000299757509 416064158 /nfs/dbraw/zinc/06/41/58/416064158.db2.gz IISCIJIGHOWXOD-JOCQHMNTSA-N 0 0 319.405 0.976 50 0 DCAARN Cc1n[nH]c(C)c1CC(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299757695 416064439 /nfs/dbraw/zinc/06/44/39/416064439.db2.gz MJDZTYKCFFEDAR-KBPBESRZSA-N 0 0 316.365 0.533 50 0 DCAARN CN(C)C(=O)c1ccc(CNC(=O)CCCn2cnnn2)o1 ZINC000299761753 416064556 /nfs/dbraw/zinc/06/45/56/416064556.db2.gz YWKQVICFRDCFCL-UHFFFAOYSA-N 0 0 306.326 0.065 50 0 DCAARN CO[C@]12CCN(C(=O)c3ccn4nnnc4c3)[C@H]1C[C@H](O)CC2 ZINC000299754971 416064668 /nfs/dbraw/zinc/06/46/68/416064668.db2.gz AJGOOBXSURRGIJ-TYNCELHUSA-N 0 0 317.349 0.269 50 0 DCAARN COc1cc(NC(=O)NCCc2n[nH]c(=O)n2C)ccc1C ZINC000299763468 416065705 /nfs/dbraw/zinc/06/57/05/416065705.db2.gz WXPZYIDXTPZFKV-UHFFFAOYSA-N 0 0 305.338 0.790 50 0 DCAARN Cn1ncc(Cl)c1C(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299778907 416066680 /nfs/dbraw/zinc/06/66/80/416066680.db2.gz IPFSCEPZZIFJHM-WDEREUQCSA-N 0 0 322.756 0.651 50 0 DCAARN CO[C@]12CCN(C(=O)CCCn3cncn3)[C@H]1C[C@@H](O)CC2 ZINC000299778034 416066786 /nfs/dbraw/zinc/06/67/86/416066786.db2.gz DAOFXAHAGBOXJR-KCQAQPDRSA-N 0 0 308.382 0.589 50 0 DCAARN CCN1CCNC(=O)[C@@H]1CC(=O)NCCc1scnc1C ZINC000299775492 416066877 /nfs/dbraw/zinc/06/68/77/416066877.db2.gz KBVGVJTXJLKAQE-NSHDSACASA-N 0 0 310.423 0.321 50 0 DCAARN CO[C@]12CC[N@H+](CCn3ccnc3)[C@H]1C[C@H](OCC(=O)[O-])CC2 ZINC000299775967 416067923 /nfs/dbraw/zinc/06/79/23/416067923.db2.gz LXVPJLXFCYSRSY-IJEWVQPXSA-N 0 0 323.393 0.996 50 0 DCAARN O=C(NCCc1nc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000299776995 416068023 /nfs/dbraw/zinc/06/80/23/416068023.db2.gz HKTWNIQKJCCYAR-SNVBAGLBSA-N 0 0 308.359 0.921 50 0 DCAARN O=C(NCCc1nc(Cc2ccccc2)no1)[C@@H]1COCCO1 ZINC000299787774 416069956 /nfs/dbraw/zinc/06/99/56/416069956.db2.gz ZBNRRHKTKKBANX-ZDUSSCGKSA-N 0 0 317.345 0.735 50 0 DCAARN Cc1csc(CCCNC(=O)c2cc(=O)n(C)c(=O)n2C)n1 ZINC000299801589 416071351 /nfs/dbraw/zinc/07/13/51/416071351.db2.gz PVOOOVHOCWSSKO-UHFFFAOYSA-N 0 0 322.390 0.212 50 0 DCAARN NS(=O)(=O)C[C@H]1CCN(C(=O)c2cccc3c2NCCC3)C1 ZINC000299800044 416071368 /nfs/dbraw/zinc/07/13/68/416071368.db2.gz ZDMPKLTZSHFDRA-NSHDSACASA-N 0 0 323.418 0.795 50 0 DCAARN COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1cccnc1 ZINC000169620976 416026369 /nfs/dbraw/zinc/02/63/69/416026369.db2.gz AIIYGGXNHFQOGB-JXFSHQFZSA-N 0 0 321.329 0.467 50 0 biogenic DCAARN Cc1cnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nc1 ZINC000301818955 416093216 /nfs/dbraw/zinc/09/32/16/416093216.db2.gz AIRQASZAWMLBQM-AWEZNQCLSA-N 0 0 303.410 0.918 50 0 DCAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC[C@H]1CCCO1)C2=O ZINC000248042894 416333137 /nfs/dbraw/zinc/33/31/37/416333137.db2.gz VNTAPGFSFTULSC-XHBSWPGZSA-N 0 0 323.393 0.782 50 0 DCAARN CC(=O)N1C[C@H]2CC[C@H](CN2C(=O)c2ccc(=O)n(C)c2)C1 ZINC000215419149 416326964 /nfs/dbraw/zinc/32/69/64/416326964.db2.gz AFUGEBWLBHCDQP-GXTWGEPZSA-N 0 0 303.362 0.468 50 0 DCAARN CCn1ncnc1CN1CCN(c2ccc3nccn3n2)CC1 ZINC000215680360 416327266 /nfs/dbraw/zinc/32/72/66/416327266.db2.gz PTQGGHIUTMYWIU-UHFFFAOYSA-N 0 0 312.381 0.663 50 0 DCAARN CCn1ccc(C(=O)NCCS(=O)(=O)CC(C)C)cc1=O ZINC000216310338 416327391 /nfs/dbraw/zinc/32/73/91/416327391.db2.gz LHFKYHLVCUYLLP-UHFFFAOYSA-N 0 0 314.407 0.669 50 0 DCAARN COc1ccc([C@@H](NC(=O)CNC(N)=O)c2ccncc2)cc1 ZINC000216346005 416327513 /nfs/dbraw/zinc/32/75/13/416327513.db2.gz KVGGODDIGMWVDT-OAHLLOKOSA-N 0 0 314.345 0.964 50 0 DCAARN NCc1nc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)cs1 ZINC000238020161 416329440 /nfs/dbraw/zinc/32/94/40/416329440.db2.gz RXXRTRMOZUBNFC-GFCCVEGCSA-N 0 0 324.450 0.929 50 0 DCAARN COC[C@@H](C)NC(=O)Cn1nnc(Cc2ccc(C)cc2)n1 ZINC000240902832 416329964 /nfs/dbraw/zinc/32/99/64/416329964.db2.gz IVPXGQYVGSIDNK-GFCCVEGCSA-N 0 0 303.366 0.723 50 0 DCAARN C[C@H](NC(=O)c1cc(OCC(F)F)ccn1)c1nnnn1C ZINC000239351935 416329996 /nfs/dbraw/zinc/32/99/96/416329996.db2.gz AARIPQCKRITLCV-ZETCQYMHSA-N 0 0 312.280 0.740 50 0 DCAARN Cn1nccc1S(=O)(=O)N1CC(=O)Nc2c(F)cccc21 ZINC000240412840 416330145 /nfs/dbraw/zinc/33/01/45/416330145.db2.gz FOEDSIKYNNEOHK-UHFFFAOYSA-N 0 0 310.310 0.707 50 0 DCAARN CN(C)Cc1nnc([C@H]2C[C@H](NC(=O)[C@H]3CCCO3)C2)n1C ZINC000243902115 416330413 /nfs/dbraw/zinc/33/04/13/416330413.db2.gz BGEWHTGYRYLTSS-IJLUTSLNSA-N 0 0 307.398 0.418 50 0 DCAARN CN(C)c1noc(CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)n1 ZINC000241693894 416330575 /nfs/dbraw/zinc/33/05/75/416330575.db2.gz QIPZPWIZSBIKNV-OLZOCXBDSA-N 0 0 320.397 0.957 50 0 DCAARN CC1=C(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)Cn2nnnc2N1C ZINC000241897331 416330586 /nfs/dbraw/zinc/33/05/86/416330586.db2.gz TXSOUVVKQJCZOP-NWANDNLSSA-N 0 0 322.372 0.851 50 0 DCAARN Cn1ccc2ccc(CN3CCNC(=O)[C@H]3CC(=O)[O-])cc21 ZINC000244723614 416330737 /nfs/dbraw/zinc/33/07/37/416330737.db2.gz MEMBLLVNDJUAHJ-CQSZACIVSA-N 0 0 301.346 0.953 50 0 DCAARN CC(=O)NCC(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000244773920 416331055 /nfs/dbraw/zinc/33/10/55/416331055.db2.gz PISTUIXVVOVJNH-JKIFEVAISA-N 0 0 318.373 0.686 50 0 DCAARN CN(C)C1=NC2(CCN(Cc3cc(C4CC4)on3)CC2)C(=O)N1 ZINC000244788061 416331186 /nfs/dbraw/zinc/33/11/86/416331186.db2.gz QINCIBOZSPSHNJ-UHFFFAOYSA-N 0 0 317.393 0.934 50 0 DCAARN Cc1cc(C)cc(N(C)S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)c1 ZINC000583651274 416480847 /nfs/dbraw/zinc/48/08/47/416480847.db2.gz JZNVDESATYSZEQ-UHFFFAOYSA-N 0 0 323.374 0.928 50 0 DCAARN CCN(CCn1cccn1)C(=O)N[C@H](C)c1nnc(N)s1 ZINC000584885817 416516400 /nfs/dbraw/zinc/51/64/00/416516400.db2.gz CWZFESIVSCQCLQ-SECBINFHSA-N 0 0 309.399 1.110 50 0 DCAARN COc1ccsc1S(=O)(=O)N(C)[C@H]1CCC(=O)N(C)C1 ZINC000585114574 416517532 /nfs/dbraw/zinc/51/75/32/416517532.db2.gz JZNCETNIVGFLHW-VIFPVBQESA-N 0 0 318.420 0.998 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000585115336 416518019 /nfs/dbraw/zinc/51/80/19/416518019.db2.gz WYRQEHXOLDLICU-OVYXKVPISA-N 0 0 314.411 0.323 50 0 DCAARN C[C@H](NC(=O)Nc1ccc(C2CC2)nn1)C1N=NC(=O)N1C ZINC000585119993 416518214 /nfs/dbraw/zinc/51/82/14/416518214.db2.gz FDOSUUVFYIDNPP-ZETCQYMHSA-N 0 0 303.326 1.071 50 0 DCAARN CN1CC[C@@](Cc2ccccc2)(C(=O)NCCCCO)C1=O ZINC000585121567 416518372 /nfs/dbraw/zinc/51/83/72/416518372.db2.gz SIJHKVFIBQJLSE-QGZVFWFLSA-N 0 0 304.390 0.966 50 0 DCAARN CCN1C[C@H](S(=O)(=O)NCC(C)(C)CCCO)CC1=O ZINC000585115674 416518658 /nfs/dbraw/zinc/51/86/58/416518658.db2.gz NEIUISHBLLHQOB-LLVKDONJSA-N 0 0 306.428 0.325 50 0 DCAARN Cc1cc(=O)cc(C(=O)NC(C)(C)c2nnc(N)s2)n1C ZINC000426360008 416763605 /nfs/dbraw/zinc/76/36/05/416763605.db2.gz VFKJPRPMSSGRLJ-UHFFFAOYSA-N 0 0 307.379 0.793 50 0 DCAARN Cc1c(C(=O)N[C@H](C)c2nc(N)n[nH]2)cnn1-c1ccccn1 ZINC000426436439 416767176 /nfs/dbraw/zinc/76/71/76/416767176.db2.gz DFYYJBNEGPQNAT-MRVPVSSYSA-N 0 0 312.337 0.767 50 0 DCAARN CC(C)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCc2nccn2C1 ZINC000373740098 416966223 /nfs/dbraw/zinc/96/62/23/416966223.db2.gz DQPXDFGXUPUONT-QWHCGFSZSA-N 0 0 304.394 0.819 50 0 DCAARN COc1ccc(COCC(=O)N2CCO[C@H]3CCOC[C@@H]32)cn1 ZINC000627486318 417438387 /nfs/dbraw/zinc/43/83/87/417438387.db2.gz XMRNETXNWIOJEH-KBPBESRZSA-N 0 0 322.361 0.623 50 0 DCAARN COc1ccc(COCC(=O)N2CCO[C@@H]3CCOC[C@@H]32)cn1 ZINC000627486320 417438917 /nfs/dbraw/zinc/43/89/17/417438917.db2.gz XMRNETXNWIOJEH-UONOGXRCSA-N 0 0 322.361 0.623 50 0 DCAARN Cc1conc1NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000571691846 417452279 /nfs/dbraw/zinc/45/22/79/417452279.db2.gz PTBZMMYOSNABRV-KGLIPLIRSA-N 0 0 315.329 1.520 50 0 DCAARN O=C(Cn1ncccc1=O)NCc1cn(-c2ccsc2)nn1 ZINC000575618823 417540557 /nfs/dbraw/zinc/54/05/57/417540557.db2.gz PHXOAQOOQVBZOB-UHFFFAOYSA-N 0 0 316.346 0.202 50 0 DCAARN Cn1nccc1-c1cncc(CNC(=O)c2ccc(=O)n(C)n2)c1 ZINC000575615774 417541356 /nfs/dbraw/zinc/54/13/56/417541356.db2.gz HYLNKGUDHMNUFW-UHFFFAOYSA-N 0 0 324.344 0.506 50 0 DCAARN Cn1cccc(C(=O)NCc2cn(-c3ccsc3)nn2)c1=O ZINC000575619764 417541473 /nfs/dbraw/zinc/54/14/73/417541473.db2.gz YJVNDJBQONMOTP-UHFFFAOYSA-N 0 0 315.358 0.958 50 0 DCAARN CN1C(=O)C[S@@](=O)C12CCN(C(=O)c1ccccc1F)CC2 ZINC000575315265 417527655 /nfs/dbraw/zinc/52/76/55/417527655.db2.gz WTCXFHUKCPHIMS-JOCHJYFZSA-N 0 0 324.377 0.979 50 0 DCAARN Cc1ccc(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)n1C(F)F ZINC000299764499 229412222 /nfs/dbraw/zinc/41/22/22/229412222.db2.gz IAFCSFMAAPBXHJ-SECBINFHSA-N 0 0 321.349 0.942 50 0 DCAARN CN1C(=O)/C(=C2/C[C@H](c3ccccc3)NN2)C(=O)NC1=S ZINC000009419071 277005653 /nfs/dbraw/zinc/00/56/53/277005653.db2.gz SUXKRMPRSONCFK-ZAGORRGESA-N 0 0 302.359 0.353 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3cccc(C)c3)C(=O)[C@]2(C)NN1 ZINC000000547540 277051495 /nfs/dbraw/zinc/05/14/95/277051495.db2.gz KEOWIIDSPGGARJ-MEBBXXQBSA-N 0 0 301.302 0.375 50 0 DCAARN CC(C)(C)OC(=O)CNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000170627257 277178537 /nfs/dbraw/zinc/17/85/37/277178537.db2.gz JCTYCGSJELDVPR-LKFCYVNXSA-N 0 0 314.407 0.898 50 0 DCAARN CC(C)N1CCC[C@]2(CCN(c3cncc(C(N)=O)n3)C2)C1=O ZINC000091518616 277606939 /nfs/dbraw/zinc/60/69/39/277606939.db2.gz FCYLDEAFIREINK-MRXNPFEDSA-N 0 0 317.393 0.803 50 0 DCAARN C[C@H]1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000032796382 278340377 /nfs/dbraw/zinc/34/03/77/278340377.db2.gz SZBZMJNIZKWIQI-JTQLQIEISA-N 0 0 316.361 0.504 50 0 DCAARN Cc1cc(C)n2nc(C(=O)N3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)nc2n1 ZINC000071753075 278679937 /nfs/dbraw/zinc/67/99/37/278679937.db2.gz PTEXTLRAFYLPDI-FNFFVJSTSA-N 0 0 313.361 0.991 50 0 DCAARN CCCN1C(=O)NC2(CCN(S(=O)(=O)CC)CC2)C1=O ZINC000017271905 278801388 /nfs/dbraw/zinc/80/13/88/278801388.db2.gz GOIZKECMXMAGKF-UHFFFAOYSA-N 0 0 303.384 0.133 50 0 DCAARN Cn1cc([C@H]2CCN(C(=O)NCc3cc(C(N)=O)co3)C2)cn1 ZINC000548005495 288101160 /nfs/dbraw/zinc/10/11/60/288101160.db2.gz NNXTWYLLXGSVRK-JTQLQIEISA-N 0 0 317.349 0.811 50 0 DCAARN CCN(c1cc(C(F)(F)F)nc2ncnn21)[C@H]1CCNC1=O ZINC000281738393 279245362 /nfs/dbraw/zinc/24/53/62/279245362.db2.gz QGMBRWXVSJQDQC-ZETCQYMHSA-N 0 0 314.271 0.858 50 0 DCAARN Cn1c(=O)ccn(CC(=O)N2CCCCc3ccccc32)c1=O ZINC000040548602 279304085 /nfs/dbraw/zinc/30/40/85/279304085.db2.gz RWXCGWQYBGGGFJ-UHFFFAOYSA-N 0 0 313.357 0.917 50 0 DCAARN CC[C@H]1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000004337534 288201351 /nfs/dbraw/zinc/20/13/51/288201351.db2.gz RNPLDGOFLWGKMG-JTQLQIEISA-N 0 0 315.395 0.037 50 0 DCAARN O=c1c(F)cn([C@@H]2CCCO2)c(=O)n1C[C@@H](O)C(F)(F)F ZINC000097377991 280390005 /nfs/dbraw/zinc/39/00/05/280390005.db2.gz MIJYTXGISLTZLP-SFYZADRCSA-N 0 0 312.219 0.381 50 0 DCAARN CC1(C)OC(=O)N(CCN2C(=O)OC(C)(C)[C@@]2(C)O)[C@]1(C)O ZINC000000049492 281399659 /nfs/dbraw/zinc/39/96/59/281399659.db2.gz MVHAFMJBIFNSGD-ZIAGYGMSSA-N 0 0 316.354 0.865 50 0 DCAARN Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1C[C@@H]1CCCO1 ZINC000004248608 281554293 /nfs/dbraw/zinc/55/42/93/281554293.db2.gz XYRCENKWFZTDAF-JTQLQIEISA-N 0 0 317.349 0.174 50 0 DCAARN CC1CCC2(CC1)NC(=O)N(CN1CCCC[C@H]1C(N)=O)C2=O ZINC000036389562 281773658 /nfs/dbraw/zinc/77/36/58/281773658.db2.gz KZRCYDNBCGOYHN-BGMSHATGSA-N 0 0 322.409 0.784 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)CCO1 ZINC000095404179 295117083 /nfs/dbraw/zinc/11/70/83/295117083.db2.gz JKZUILKYAJJVTR-ZQIUZPCESA-N 0 0 300.358 0.603 50 0 DCAARN CS(=O)(=O)NCCNC(=O)N1CCC[C@H]1C1CCCC1 ZINC000056833473 295528234 /nfs/dbraw/zinc/52/82/34/295528234.db2.gz CJDLTIKBVOMFPE-LBPRGKRZSA-N 0 0 303.428 0.900 50 0 DCAARN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCO1 ZINC000095455543 297285314 /nfs/dbraw/zinc/28/53/14/297285314.db2.gz YDNPKUFRUJJJMY-PWSUYJOCSA-N 0 0 324.402 0.818 50 0 DCAARN C[C@H](NC(=O)CCNS(C)(=O)=O)c1cn2ccsc2n1 ZINC000299765005 299045478 /nfs/dbraw/zinc/04/54/78/299045478.db2.gz YDKVHIFYQNPOEW-QMMMGPOBSA-N 0 0 316.408 0.512 50 0 DCAARN C[C@H]1CN(C(=O)[C@H]2CCCN2C2CC2)CCS(=O)(=O)C1 ZINC000330224159 300176644 /nfs/dbraw/zinc/17/66/44/300176644.db2.gz NNGIBPFYYWNXSQ-WCQYABFASA-N 0 0 300.424 0.506 50 0 DCAARN Cc1[nH]ccc1C(=O)N1C[C@H](NS(C)(=O)=O)[C@@H](C2CC2)C1 ZINC000091845627 300895448 /nfs/dbraw/zinc/89/54/48/300895448.db2.gz FGCJIIYYMMAMPQ-OLZOCXBDSA-N 0 0 311.407 0.723 50 0 DCAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NC(C)C)[C@@H]4C2=O)no1 ZINC000013625909 301343747 /nfs/dbraw/zinc/34/37/47/301343747.db2.gz RCKHCDWBFREXRZ-QZDOHJIMSA-N 0 0 317.345 0.794 50 0 DCAARN 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0.992 50 0 DCAARN O=C(NCCn1ncc2ccccc2c1=O)N1CCOCC1 ZINC000534640130 334311134 /nfs/dbraw/zinc/31/11/34/334311134.db2.gz DUJPQLUKESAFMP-UHFFFAOYSA-N 0 0 302.334 0.438 50 0 DCAARN Cc1cc(F)cc(C(=O)N[C@H]2COC[C@@H]2N2CCN(C)CC2)c1 ZINC000534665363 334318610 /nfs/dbraw/zinc/31/86/10/334318610.db2.gz GASMALUCHVDOKX-HOTGVXAUSA-N 0 0 321.396 0.879 50 0 DCAARN COCC1(CNS(=O)(=O)N2CCN(C)CC2)CCCC1 ZINC000534666207 334318933 /nfs/dbraw/zinc/31/89/33/334318933.db2.gz DHJWZIHSGZYGTB-UHFFFAOYSA-N 0 0 305.444 0.275 50 0 DCAARN COCC1(S(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)CC1 ZINC000575988905 341818780 /nfs/dbraw/zinc/81/87/80/341818780.db2.gz ROECEMKAXUOFHI-AXFHLTTASA-N 0 0 302.396 0.081 50 0 DCAARN O=C(CCCc1cn[nH]c1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299773590 534381457 /nfs/dbraw/zinc/38/14/57/534381457.db2.gz DMIUNMKGZHIYOC-KBPBESRZSA-N 0 0 316.365 0.696 50 0 DCAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@H]1CCCO1 ZINC000245228374 534396503 /nfs/dbraw/zinc/39/65/03/534396503.db2.gz 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/nfs/dbraw/zinc/69/79/51/545697951.db2.gz XTOJNNCTIRINSO-SECBINFHSA-N 0 0 303.318 0.993 50 0 DCAARN CC(C)c1n[nH]c([C@H]2CN(C[C@H](O)Cn3cccn3)CCO2)n1 ZINC000084630894 545702281 /nfs/dbraw/zinc/70/22/81/545702281.db2.gz KVILTWLDAVGRQI-QWHCGFSZSA-N 0 0 320.397 0.559 50 0 DCAARN C[C@H](CC(=O)OCC(=O)N1CCNC(=O)C1)c1ccncc1 ZINC000084636932 545703173 /nfs/dbraw/zinc/70/31/73/545703173.db2.gz ZDWPEPKPFMSCRT-LLVKDONJSA-N 0 0 305.334 0.077 50 0 DCAARN COC[C@H](C)n1ccc(NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)n1 ZINC000189793653 545921573 /nfs/dbraw/zinc/92/15/73/545921573.db2.gz BBZLYDKZEZIBPA-QWRGUYRKSA-N 0 0 321.381 0.975 50 0 DCAARN COC[C@H](NC(=O)Cn1c(C)cc(C)nc1=O)c1ccccn1 ZINC000222630385 545941581 /nfs/dbraw/zinc/94/15/81/545941581.db2.gz VRXVVFMGXRJHAY-AWEZNQCLSA-N 0 0 316.361 0.759 50 0 DCAARN Cc1cccc(O[C@@H]2CCN(C(=O)CN3CCOC3=O)C2)n1 ZINC000238849155 545960242 /nfs/dbraw/zinc/96/02/42/545960242.db2.gz JBAGVYIZQIZGGA-GFCCVEGCSA-N 0 0 305.334 0.822 50 0 DCAARN C[C@@H](CNC(=O)C1(n2cnnn2)CC1)Oc1cccc(F)c1 ZINC000585105601 546303324 /nfs/dbraw/zinc/30/33/24/546303324.db2.gz UXAWIVBHRSILSX-JTQLQIEISA-N 0 0 305.313 0.885 50 0 DCAARN Cc1nonc1CC(=O)N[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000670438447 547091471 /nfs/dbraw/zinc/09/14/71/547091471.db2.gz CPSSDRWMYRUWHK-LLVKDONJSA-N 0 0 318.333 0.935 50 0 DCAARN Cc1n[nH]c(C)c1CCNC(=O)c1nn(C)c2c1CC(=O)CC2 ZINC000670444922 547093834 /nfs/dbraw/zinc/09/38/34/547093834.db2.gz IRZPGJWACWKSFV-UHFFFAOYSA-N 0 0 315.377 0.790 50 0 DCAARN CCCc1nc(N2CCC3(CC2)N=C(N(C)C)NC3=O)no1 ZINC000670455675 547097082 /nfs/dbraw/zinc/09/70/82/547097082.db2.gz ZGVKHYZWBUDYTE-UHFFFAOYSA-N 0 0 306.370 0.409 50 0 DCAARN Cc1ccc(F)cc1S(=O)(=O)NC[C@@H]1CC(=O)N(C)C1 ZINC000681820568 548298472 /nfs/dbraw/zinc/29/84/72/548298472.db2.gz IDFOVRVMLZDUQE-JTQLQIEISA-N 0 0 300.355 0.891 50 0 DCAARN CC(C)c1cc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)n(C)n1 ZINC000685941690 548746566 /nfs/dbraw/zinc/74/65/66/548746566.db2.gz FVFLIKFODQFETL-GXTWGEPZSA-N 0 0 319.365 0.843 50 0 DCAARN COc1ccccc1C(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 ZINC000685942389 548748139 /nfs/dbraw/zinc/74/81/39/548748139.db2.gz OTYUWYPUXQOYAS-GXTWGEPZSA-N 0 0 303.318 0.995 50 0 DCAARN CNS(=O)(=O)C[C@@H]1CCCN(C(=O)Nc2ccnnc2)C1 ZINC000888100563 661179137 /nfs/dbraw/zinc/17/91/37/661179137.db2.gz XRZGHWYUIZVSOD-SNVBAGLBSA-N 0 0 313.383 0.270 50 0 DCAARN COc1nscc1CN(C)S(=O)(=O)c1c(C)onc1N ZINC000952995530 665878268 /nfs/dbraw/zinc/87/82/68/665878268.db2.gz OZQZLYXFQWRCPE-UHFFFAOYSA-N 0 0 318.380 0.851 50 0 DCAARN Cc1ccc(C(=O)N2CC[C@H](CO)[C@H](NC(=O)C3CC3)C2)cn1 ZINC000169786436 664561381 /nfs/dbraw/zinc/56/13/81/664561381.db2.gz HIZICBMSRACMKC-HUUCEWRRSA-N 0 0 317.389 0.739 50 0 DCAARN COc1ccnc(N2CCN(CC(=O)NCC3CCC3)CC2)n1 ZINC000171734280 664612322 /nfs/dbraw/zinc/61/23/22/664612322.db2.gz BCAWJJJAEOLZQF-UHFFFAOYSA-N 0 0 319.409 0.524 50 0 DCAARN O=c1[nH]c(CCn2cnc3nccnc3c2=O)nc2ccccc21 ZINC000032582172 664690556 /nfs/dbraw/zinc/69/05/56/664690556.db2.gz ZIIFBEJPGMYBBA-UHFFFAOYSA-N 0 0 320.312 0.666 50 0 DCAARN CCc1ccccc1OCCN1C[C@@]2(C(=O)[O-])C[NH2+]C[C@H]2C1=O ZINC000072475644 666314493 /nfs/dbraw/zinc/31/44/93/666314493.db2.gz MYYYYQKZKCIAAJ-GUYCJALGSA-N 0 0 318.373 0.760 50 0 DCAARN Cn1ccnc1CNC[C@@]1(O)CCCN(CC(C)(C)C)C1=O ZINC000012316231 666439846 /nfs/dbraw/zinc/43/98/46/666439846.db2.gz SKPMMOVSHOGUJM-INIZCTEOSA-N 0 0 308.426 0.909 50 0 DCAARN CSCC(=O)N1CCC(CNC(=O)[C@@H]2CCOC2)CC1 ZINC000948735924 670169234 /nfs/dbraw/zinc/16/92/34/670169234.db2.gz WCRFPKPWSMBQOG-GFCCVEGCSA-N 0 0 300.424 0.741 50 0 DCAARN CNC(=O)CN1CCN(C(=O)[C@@H]2CCCc3cccnc32)CC1 ZINC000192685166 670185607 /nfs/dbraw/zinc/18/56/07/670185607.db2.gz LEMUQLGYKACGBR-CQSZACIVSA-N 0 0 316.405 0.392 50 0 DCAARN Cc1ccoc1C(=O)NC[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000952990656 685602488 /nfs/dbraw/zinc/60/24/88/685602488.db2.gz VTSSSIIBGHOENS-LLVKDONJSA-N 0 0 300.380 0.989 50 0 DCAARN Cc1nc(CC(=O)NCC2CCN(C(=O)CO)CC2)cs1 ZINC000952966226 685599309 /nfs/dbraw/zinc/59/93/09/685599309.db2.gz GHNSOJAUPFJAQZ-UHFFFAOYSA-N 0 0 311.407 0.341 50 0 DCAARN O=C(Cn1cccn1)NCC1CCN(c2cnccn2)CC1 ZINC000952972622 685599844 /nfs/dbraw/zinc/59/98/44/685599844.db2.gz GFMNRXYIGWMPLB-UHFFFAOYSA-N 0 0 300.366 0.706 50 0 DCAARN O=S(=O)(c1cccc2nsnc21)N1C[C@@H](O)[C@H](F)C1 ZINC000952971429 685600098 /nfs/dbraw/zinc/60/00/98/685600098.db2.gz DWPWIGUJELNZQI-HTRCEHHLSA-N 0 0 303.340 0.395 50 0 DCAARN NC(=O)[C@H](CO)NC(=O)c1ccc(N2CCCC2)c(Cl)c1 ZINC000952991483 685602656 /nfs/dbraw/zinc/60/26/56/685602656.db2.gz SKVYTXRMPDESOB-NSHDSACASA-N 0 0 311.769 0.516 50 0 DCAARN Cc1cccc(N2CCN(CC(=O)N3C[C@@H](O)[C@H](F)C3)CC2)c1 ZINC000952980343 685600948 /nfs/dbraw/zinc/60/09/48/685600948.db2.gz JOFUVNYKCUMVLK-HZPDHXFCSA-N 0 0 321.396 0.658 50 0 DCAARN COc1ccc(NC(=O)CCNC(C)=O)cc1C(=O)N(C)C ZINC000952979622 685601182 /nfs/dbraw/zinc/60/11/82/685601182.db2.gz OQRIZJLETDCYQU-UHFFFAOYSA-N 0 0 307.350 0.862 50 0 DCAARN Cn1cncc1C(=O)NCC1CCN(c2cnccn2)CC1 ZINC000952981498 685601218 /nfs/dbraw/zinc/60/12/18/685601218.db2.gz ZIGJXKAVQAMOHB-UHFFFAOYSA-N 0 0 300.366 0.857 50 0 DCAARN COCCN1C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3OC)CC1=O ZINC000952979878 685601220 /nfs/dbraw/zinc/60/12/20/685601220.db2.gz BBIALJMWVJUFMX-COMQUAJESA-N 0 0 310.394 0.365 50 0 DCAARN CC(C)[C@H]1NC(=O)[C@H]2CN(Cc3ccccc3)CCN2C1=O ZINC000014747860 685048538 /nfs/dbraw/zinc/04/85/38/685048538.db2.gz KKEJOIUEZPXRIO-HUUCEWRRSA-N 0 0 301.390 0.854 50 0 DCAARN COCCn1cncc1CNc1nccc(-c2ncnn2C)n1 ZINC000023581760 685052750 /nfs/dbraw/zinc/05/27/50/685052750.db2.gz CHOBBTXMFIDILS-UHFFFAOYSA-N 0 0 314.353 0.727 50 0 DCAARN CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(c1cc[nH+]c(N)c1)CC2 ZINC000095373639 685111895 /nfs/dbraw/zinc/11/18/95/685111895.db2.gz RCWHFRIVPGVPNK-NSHDSACASA-N 0 0 304.350 0.566 50 0 DCAARN Cc1ccc2c(C(=O)N3CC[C@]4(C3)CNC(=O)CO4)cnn2c1 ZINC001772707970 1157844531 /nfs/dbraw/zinc/84/45/31/1157844531.db2.gz ZSXYJQIIGCUTKS-MRXNPFEDSA-N 0 0 314.345 0.374 50 0 DCAARN O=C(c1ccc2c(c1)OCC(=O)N2)N1CCC([C@@H](O)CO)CC1 ZINC001772712571 1157848620 /nfs/dbraw/zinc/84/86/20/1157848620.db2.gz SSSYQDBORWUIAX-ZDUSSCGKSA-N 0 0 320.345 0.223 50 0 DCAARN CO[C@@H]1C[C@H](C(=O)NCC2(Cn3cccn3)CC2)CC[C@@H]1O ZINC001704307960 1179967960 /nfs/dbraw/zinc/96/79/60/1179967960.db2.gz NTHLJCBVYJJCJP-HZSPNIEDSA-N 0 0 307.394 0.956 50 0 DCAARN Cc1ccccc1OC[C@@H](O)C(=O)N(CCO)Cc1ncc[nH]1 ZINC001704311774 1179970175 /nfs/dbraw/zinc/97/01/75/1179970175.db2.gz CHAWJEUCTYRIIH-CYBMUJFWSA-N 0 0 319.361 0.479 50 0 DCAARN OC[C@@]1(O)CCOC2(CCN(Cc3nc(C4CC4)no3)CC2)C1 ZINC001704324646 1179972367 /nfs/dbraw/zinc/97/23/67/1179972367.db2.gz BVAXPBCUXQBDKO-OAHLLOKOSA-N 0 0 323.393 0.815 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cncc(F)c3)C[C@@H]2O)[nH]n1 ZINC001704338384 1179978091 /nfs/dbraw/zinc/97/80/91/1179978091.db2.gz SDACBOQONPACGY-RISCZKNCSA-N 0 0 304.325 0.928 50 0 DCAARN CCCC1(CNC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)CCC1 ZINC001704351211 1179982825 /nfs/dbraw/zinc/98/28/25/1179982825.db2.gz UMSRAFKBSYUHIQ-LLVKDONJSA-N 0 0 320.393 0.688 50 0 DCAARN COc1ccnc(C(=O)N2C[C@@H](Cc3cc(C)n[nH]3)[C@H](O)C2)c1 ZINC001704353970 1179983633 /nfs/dbraw/zinc/98/36/33/1179983633.db2.gz QHJBEWIECDWCPQ-IAQYHMDHSA-N 0 0 316.361 0.797 50 0 DCAARN O=C(NCCn1cccn1)[C@@H]1Cc2[nH]cnc2C2(CCCC2)N1 ZINC000675008860 748025019 /nfs/dbraw/zinc/02/50/19/748025019.db2.gz MXXOJOXELUEKJY-ZDUSSCGKSA-N 0 0 314.393 0.706 50 0 DCAARN COCCN1C(=O)CC[C@]2(CNS(C)(=O)=O)CCC[C@@H]12 ZINC000675008948 748025193 /nfs/dbraw/zinc/02/51/93/748025193.db2.gz QFJWZGYYXKTKNL-YPMHNXCESA-N 0 0 304.412 0.343 50 0 DCAARN CN(C)C(=O)N(CCNC(=O)c1cccn1C)C1CCOCC1 ZINC000675020438 748027640 /nfs/dbraw/zinc/02/76/40/748027640.db2.gz QLBYXXIJMUSFOL-UHFFFAOYSA-N 0 0 322.409 0.918 50 0 DCAARN CC(C)CC(=O)NCCN(C1CCOCC1)S(C)(=O)=O ZINC000675020843 748027776 /nfs/dbraw/zinc/02/77/76/748027776.db2.gz WKHXRYKPTXUDCH-UHFFFAOYSA-N 0 0 306.428 0.589 50 0 DCAARN CC(C)[C@@H](CO)NC(=O)Nc1ccc(F)c(S(N)(=O)=O)c1 ZINC000585135507 748532893 /nfs/dbraw/zinc/53/28/93/748532893.db2.gz NRGSQFUIXVIQCO-SNVBAGLBSA-N 0 0 319.358 0.612 50 0 DCAARN Cc1cnn([C@H](C)c2nc(CC(N)=O)nn2CC(C)(C)O)c1 ZINC000822276866 758190503 /nfs/dbraw/zinc/19/05/03/758190503.db2.gz WHHNCCFTOUGRLT-SNVBAGLBSA-N 0 0 306.370 0.191 50 0 DCAARN CCCN1C(=O)N[C@@H](Cc2ncnn2-c2cccnc2)C1=O ZINC000822919159 758213701 /nfs/dbraw/zinc/21/37/01/758213701.db2.gz HEEGQLDJZIFKPR-NSHDSACASA-N 0 0 300.322 0.535 50 0 DCAARN CCCN1C(=O)N[C@H](Cc2ncnn2-c2cccnc2)C1=O ZINC000822919158 758213843 /nfs/dbraw/zinc/21/38/43/758213843.db2.gz HEEGQLDJZIFKPR-LLVKDONJSA-N 0 0 300.322 0.535 50 0 DCAARN CCCn1ncnc1-c1cccc(C(=O)N(C)C[C@H](O)CO)c1 ZINC000823036205 758220959 /nfs/dbraw/zinc/22/09/59/758220959.db2.gz YQWQLQRUMKBTDR-AWEZNQCLSA-N 0 0 318.377 0.780 50 0 DCAARN COC(=O)N[C@@H](C)c1nc(CC(N)=O)nn1Cc1ccccc1 ZINC000824155926 758760941 /nfs/dbraw/zinc/76/09/41/758760941.db2.gz KBWYVSASDZHSKL-JTQLQIEISA-N 0 0 317.349 0.771 50 0 DCAARN NC(=O)Cc1nc(CCCn2cccn2)n(-c2ccncc2)n1 ZINC000826841834 758845976 /nfs/dbraw/zinc/84/59/76/758845976.db2.gz CGWSHRCUIRFRIV-UHFFFAOYSA-N 0 0 311.349 0.519 50 0 DCAARN C[C@H](Cn1cccn1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000827627996 758871946 /nfs/dbraw/zinc/87/19/46/758871946.db2.gz IPRJKJWWSXLYEJ-CYBMUJFWSA-N 0 0 300.366 0.658 50 0 DCAARN Cc1nnc(CNC(=O)[C@@H](c2cccnc2)N2CCCC2)[nH]1 ZINC000827654456 758872779 /nfs/dbraw/zinc/87/27/79/758872779.db2.gz NREDLFWYNRIXEE-CQSZACIVSA-N 0 0 300.366 0.961 50 0 DCAARN Cc1ncsc1CCN(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000827883283 758897730 /nfs/dbraw/zinc/89/77/30/758897730.db2.gz BPPFQHSEIKENIX-SNVBAGLBSA-N 0 0 317.436 0.823 50 0 DCAARN COCCC(=O)N1CCC[C@H](n2c(=O)n(C)c3cccnc32)C1 ZINC000581796471 760253981 /nfs/dbraw/zinc/25/39/81/760253981.db2.gz NLVCPKITIFVKBD-LBPRGKRZSA-N 0 0 318.377 0.935 50 0 DCAARN CC(C)C(=O)N1CCC2(CC1)N(CC1CC1)C(=O)C[S@@]2=O ZINC000581794322 760254011 /nfs/dbraw/zinc/25/40/11/760254011.db2.gz ZFHFFBHBUNTMAJ-NRFANRHFSA-N 0 0 312.435 0.962 50 0 DCAARN COCCNC(=O)C1(F)CCN(C(=O)c2ocnc2C)CC1 ZINC000581818921 760256598 /nfs/dbraw/zinc/25/65/98/760256598.db2.gz UWHYESCGDVOPOO-UHFFFAOYSA-N 0 0 313.329 0.690 50 0 DCAARN COC(=O)c1ccc(C(=O)N2CC(Cn3cncn3)C2)cc1 ZINC000888106926 765410904 /nfs/dbraw/zinc/41/09/04/765410904.db2.gz FPXAYBLOEFBTKX-UHFFFAOYSA-N 0 0 300.318 0.837 50 0 DCAARN O=C(COC[C@@H]1CCCO1)Nc1nsnc1Br ZINC000585124654 766288047 /nfs/dbraw/zinc/28/80/47/766288047.db2.gz LHNWDRPEORSCRM-LURJTMIESA-N 0 0 322.184 1.435 50 0 DCAARN CCN1C[C@@H](OC(=O)CN2CCCCCCC2=O)CNC1=O ZINC000585086545 766272696 /nfs/dbraw/zinc/27/26/96/766272696.db2.gz LFGWVDYJTGUIQG-LBPRGKRZSA-N 0 0 311.382 0.736 50 0 DCAARN Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)[C@@H]1CC(=O)N(C)C1 ZINC000585115127 766284294 /nfs/dbraw/zinc/28/42/94/766284294.db2.gz NKDJIGPENXMQPI-LDYMZIIASA-N 0 0 315.395 0.373 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)Nc2cnc3ccnn3c2)[C@H](C)C1 ZINC000585119920 766287599 /nfs/dbraw/zinc/28/75/99/766287599.db2.gz ZXVCDAHVJUWNBZ-VXGBXAGGSA-N 0 0 318.381 0.648 50 0 DCAARN COCC(=O)N[C@H]([C@@H](NC(=O)COC)C(C)C)C(F)(F)F ZINC000585127649 766289801 /nfs/dbraw/zinc/28/98/01/766289801.db2.gz GIVBXMGUQOSORL-WDEREUQCSA-N 0 0 314.304 0.467 50 0 DCAARN Cn1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)OC(C)(C)C)C[C@@H]2O)n1 ZINC000585126592 766289811 /nfs/dbraw/zinc/28/98/11/766289811.db2.gz CNYNOBNIDLIQBJ-JLLWLGSASA-N 0 0 309.366 0.631 50 0 DCAARN COCCOc1cccc(C(=O)Nc2ccn(C)c(=O)n2)c1 ZINC000585130505 766291824 /nfs/dbraw/zinc/29/18/24/766291824.db2.gz SDMXXEHBQGIABD-UHFFFAOYSA-N 0 0 303.318 0.892 50 0 DCAARN CC1(c2nc(CC(N)=O)nn2Cc2ccc(F)cc2)COC1 ZINC000952868813 768923548 /nfs/dbraw/zinc/92/35/48/768923548.db2.gz GXHVFTZNVRCBNG-UHFFFAOYSA-N 0 0 304.325 0.781 50 0 DCAARN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1nc2ncc(CCO)cn2n1 ZINC000952879518 768943274 /nfs/dbraw/zinc/94/32/74/768943274.db2.gz JESFBEBLHIEYSO-UONOGXRCSA-N 0 0 323.356 0.945 50 0 DCAARN O=C([O-])CN1CCN(C(=O)CCC[NH+]2CCCCC2)CC1=O ZINC000885939206 775065827 /nfs/dbraw/zinc/06/58/27/775065827.db2.gz VFKZWCVYTQDWIO-UHFFFAOYSA-N 0 0 311.382 0.008 50 0 DCAARN Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCOCC2)OCC(=O)N1C ZINC001529127040 1014501341 /nfs/dbraw/zinc/50/13/41/1014501341.db2.gz XYGSWHKCRBNMJO-CVEARBPZSA-N 0 0 318.373 0.752 50 0 DCAARN O=C(CN1CCCC1=O)N[C@@H]1COC[C@H]1Cc1ccncc1 ZINC001529173519 1014513189 /nfs/dbraw/zinc/51/31/89/1014513189.db2.gz XQSUGDXYYXCPRU-ZIAGYGMSSA-N 0 0 303.362 0.378 50 0 DCAARN COCCn1ccnc1CN1CC[C@@]2(C(=O)[O-])CCC[NH2+][C@@H]2C1 ZINC001529197835 1014519223 /nfs/dbraw/zinc/51/92/23/1014519223.db2.gz XKNZSJMWSZICRX-CJNGLKHVSA-N 0 0 322.409 0.558 50 0 DCAARN O=C(CCc1nc2ccccc2[nH]c1=O)N1C[C@@H](O)[C@H](F)C1 ZINC001506396438 1017252762 /nfs/dbraw/zinc/25/27/62/1017252762.db2.gz AQAIGMZZYVWAGQ-NOZJJQNGSA-N 0 0 305.309 0.397 50 0 DCAARN Cn1ccnc1-c1ccc(N[C@]2(C)CCS(=O)(=O)C2)nn1 ZINC001506395475 1017253857 /nfs/dbraw/zinc/25/38/57/1017253857.db2.gz IZWJPYHVISXYPL-CYBMUJFWSA-N 0 0 307.379 0.866 50 0 DCAARN CCNC(=O)N1CCC(NC(=O)c2c[nH]c(C)cc2=O)CC1 ZINC001506400295 1017256609 /nfs/dbraw/zinc/25/66/09/1017256609.db2.gz CZJUFRLZVZRVHX-UHFFFAOYSA-N 0 0 306.366 0.607 50 0 DCAARN CN(C)C(=O)CN1CCCN(c2nccnc2N(C)C)CC1 ZINC001506411607 1017260260 /nfs/dbraw/zinc/26/02/60/1017260260.db2.gz ZXLIESRDYOAXBP-UHFFFAOYSA-N 0 0 306.414 0.143 50 0 DCAARN CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001506419609 1017265725 /nfs/dbraw/zinc/26/57/25/1017265725.db2.gz GQNMFJCYFILGAJ-LBPRGKRZSA-N 0 0 321.377 0.857 50 0 DCAARN O=S1(=O)CCC(N2CCC(Nc3cnccn3)CC2)CC1 ZINC001506419284 1017266719 /nfs/dbraw/zinc/26/67/19/1017266719.db2.gz YQYDSZVCFQBSIQ-UHFFFAOYSA-N 0 0 310.423 0.930 50 0 DCAARN CNC(=O)C[C@@H]1CCN(C(=O)c2cc(C(C)C)nc(N)n2)C1 ZINC001506419099 1017267179 /nfs/dbraw/zinc/26/71/79/1017267179.db2.gz XHWVFMZAZXQOTP-JTQLQIEISA-N 0 0 305.382 0.780 50 0 DCAARN Cc1nc2ncccc2c(=O)n1CCNC(=O)c1cccnc1 ZINC000095474098 185372978 /nfs/dbraw/zinc/37/29/78/185372978.db2.gz WZMJEOQRFDNVIM-UHFFFAOYSA-N 0 0 309.329 0.925 50 0 biogenic DCAARN CN1C[C@H](C(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)CC1=O ZINC000095476373 185373151 /nfs/dbraw/zinc/37/31/51/185373151.db2.gz CKHILHNBLHVEMO-SNVBAGLBSA-N 0 0 317.324 0.951 50 0 DCAARN Cc1cn2c(ncc(C(=O)NCCc3cnc[nH]3)c2=O)s1 ZINC000095476202 185373305 /nfs/dbraw/zinc/37/33/05/185373305.db2.gz HJJLBECDHBDLFM-UHFFFAOYSA-N 0 0 303.347 0.760 50 0 DCAARN Cc1cccnc1C[C@@H](C)NC(=O)c1cc(=O)n(C)c(=O)n1C ZINC000095499308 185374595 /nfs/dbraw/zinc/37/45/95/185374595.db2.gz VXNBPNTUVCTHDU-LLVKDONJSA-N 0 0 316.361 0.148 50 0 DCAARN CNC(=O)c1nc(CN2C(=O)CC3(CCCC3)CC2=O)no1 ZINC000095507290 185375562 /nfs/dbraw/zinc/37/55/62/185375562.db2.gz AUMSSANNXBMYFS-UHFFFAOYSA-N 0 0 306.322 0.639 50 0 DCAARN COC(=O)c1ccc(NC(=O)C(=O)NCC[C@H](O)C2CC2)cc1 ZINC000077108442 185109513 /nfs/dbraw/zinc/10/95/13/185109513.db2.gz GNDKVHCTDYPSTA-ZDUSSCGKSA-N 0 0 320.345 0.689 50 0 DCAARN O=C(CNCC(F)(F)F)N1CCC[C@@H]1CN1CCOCC1 ZINC000078933375 185130440 /nfs/dbraw/zinc/13/04/40/185130440.db2.gz FTEFHGFPQRDFNZ-LLVKDONJSA-N 0 0 309.332 0.462 50 0 DCAARN CO[C@@H]1C[C@@H]2C(=O)N([C@H]3CCN(c4ccccn4)C3)C(=O)N2C1 ZINC000328588531 231231863 /nfs/dbraw/zinc/23/18/63/231231863.db2.gz RZWOFHOICYXAAX-YNEHKIRRSA-N 0 0 316.361 0.712 50 0 DCAARN CC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2Cc3ccccc3O2)C1=O ZINC000278867146 214456613 /nfs/dbraw/zinc/45/66/13/214456613.db2.gz UYFYOKONNZYHEV-NHYWBVRUSA-N 0 0 303.318 0.742 50 0 DCAARN CCCn1nc(C(=O)Nc2nnc3n(C)[nH]c(C)c2-3)ccc1=O ZINC000089960617 185272136 /nfs/dbraw/zinc/27/21/36/185272136.db2.gz IHNJURRDKIARRQ-UHFFFAOYSA-N 0 0 315.337 0.824 50 0 DCAARN CCC[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1NS(C)(=O)=O ZINC000082109342 192358425 /nfs/dbraw/zinc/35/84/25/192358425.db2.gz AZQNZMXZEJKNLF-CHWSQXEVSA-N 0 0 311.407 0.872 50 0 DCAARN NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)COc1ccccc1 ZINC000007895917 190629888 /nfs/dbraw/zinc/62/98/88/190629888.db2.gz JEDZVRFEJLALQU-ZDUSSCGKSA-N 0 0 320.345 0.475 50 0 DCAARN Cc1ccc(S(=O)(=O)NC[C@](C)(O)c2cnn(C)c2)s1 ZINC000095433199 185363695 /nfs/dbraw/zinc/36/36/95/185363695.db2.gz SGOTVTMOKPEIHD-LBPRGKRZSA-N 0 0 315.420 0.976 50 0 DCAARN O=C(NC[C@@H](O)CN1CCOCC1)c1coc2ccccc21 ZINC000095442339 185366828 /nfs/dbraw/zinc/36/68/28/185366828.db2.gz ULCFJEACZODAJO-GFCCVEGCSA-N 0 0 304.346 0.856 50 0 DCAARN Cn1ncn(CC(=O)N(Cc2ccco2)CC(F)(F)F)c1=O ZINC000095455399 185369718 /nfs/dbraw/zinc/36/97/18/185369718.db2.gz IIIAQCJTUHTIQL-UHFFFAOYSA-N 0 0 318.255 0.766 50 0 DCAARN COCCCNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000095461262 185371037 /nfs/dbraw/zinc/37/10/37/185371037.db2.gz ITPFBKYGMHATFS-UHFFFAOYSA-N 0 0 303.322 0.563 50 0 DCAARN CCOc1ccccc1N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000097021466 185398666 /nfs/dbraw/zinc/39/86/66/185398666.db2.gz DFKCOULGRAQTET-UHFFFAOYSA-N 0 0 303.318 0.598 50 0 DCAARN CCN(CC(=O)NCc1ccc(F)cc1)[C@@H]1CCN(C)C1=O ZINC000097031835 185399078 /nfs/dbraw/zinc/39/90/78/185399078.db2.gz YWPQIWNYIUQJPJ-CQSZACIVSA-N 0 0 307.369 0.995 50 0 DCAARN O=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1c[nH]c(=O)cn1 ZINC000222761750 303976223 /nfs/dbraw/zinc/97/62/23/303976223.db2.gz WYVDJJSTFMSADO-RYUDHWBXSA-N 0 0 307.350 0.744 50 0 DCAARN NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCS(=O)CC1 ZINC000330713681 232012846 /nfs/dbraw/zinc/01/28/46/232012846.db2.gz XBBGFYNONGQFBL-LBPRGKRZSA-N 0 0 309.391 0.271 50 0 DCAARN Cn1cnc(S(=O)(=O)NC[C@H]2COc3ccccc3C2)c1 ZINC000069095080 190798034 /nfs/dbraw/zinc/79/80/34/190798034.db2.gz VNLQLNDDAJXKOV-NSHDSACASA-N 0 0 307.375 0.950 50 0 DCAARN O=C1OCC[C@H]1N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000069771875 190814611 /nfs/dbraw/zinc/81/46/11/190814611.db2.gz DEBLDWGTTVAVKL-GDBMZVCRSA-N 0 0 320.389 0.359 50 0 DCAARN COC[C@]1(C)NC(=O)N(C[C@@H](O)c2ccc(F)c(F)c2)C1=O ZINC000071186318 190938666 /nfs/dbraw/zinc/93/86/66/190938666.db2.gz WKZPGFXVEQZEKR-RISCZKNCSA-N 0 0 314.288 0.955 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)c3ccnc(C)n3)CCO2)[nH]1 ZINC000083830030 192384620 /nfs/dbraw/zinc/38/46/20/192384620.db2.gz VPWXNRQGGRUGAL-LLVKDONJSA-N 0 0 302.338 0.679 50 0 DCAARN CCN1C[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)CC1=O ZINC000071735814 191017806 /nfs/dbraw/zinc/01/78/06/191017806.db2.gz UUOMEXHCWHEZMA-LLVKDONJSA-N 0 0 317.345 0.392 50 0 DCAARN COc1ccc(C2(C(=O)N3CC[NH2+][C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000071747475 191021523 /nfs/dbraw/zinc/02/15/23/191021523.db2.gz VSSCCKXZWYNOKK-CYBMUJFWSA-N 0 0 304.346 0.612 50 0 DCAARN O=C([O-])[C@@H]1CN(C(=O)c2conc2-c2ccccc2)CC[NH2+]1 ZINC000071751881 191023187 /nfs/dbraw/zinc/02/31/87/191023187.db2.gz MGTAYTRRHVJOFJ-LBPRGKRZSA-N 0 0 301.302 0.840 50 0 DCAARN O=C(NCc1ccc(-c2ccccn2)s1)[C@H]1CNCC(=O)N1 ZINC000071764815 191028000 /nfs/dbraw/zinc/02/80/00/191028000.db2.gz KEDIDNYYAKXGRY-GFCCVEGCSA-N 0 0 316.386 0.514 50 0 DCAARN O=C(c1ccc(Cn2cccn2)o1)N1CC[C@H](CO)[C@H](O)C1 ZINC000072139069 191048115 /nfs/dbraw/zinc/04/81/15/191048115.db2.gz JXMFDWVQLIFGDZ-DGCLKSJQSA-N 0 0 305.334 0.340 50 0 DCAARN CN1C(=O)[C@@H](CC(=O)NCc2cnn3ccccc23)N(C)C1=O ZINC000072130655 191045032 /nfs/dbraw/zinc/04/50/32/191045032.db2.gz CFYDRUSXEWGBRV-GFCCVEGCSA-N 0 0 315.333 0.233 50 0 DCAARN COCCc1noc(CN2CCC[C@@]3(CN(C)C(=O)O3)C2)n1 ZINC000072134522 191045787 /nfs/dbraw/zinc/04/57/87/191045787.db2.gz VQHSIJSNYXKZGP-CQSZACIVSA-N 0 0 310.354 0.675 50 0 DCAARN CC(C)[C@@H]1CN(C(=O)Cn2cncn2)CCC(=O)N1CC1CC1 ZINC000072148189 191054702 /nfs/dbraw/zinc/05/47/02/191054702.db2.gz CGGQXWFLPFTBJY-AWEZNQCLSA-N 0 0 319.409 0.774 50 0 DCAARN Cn1c(CCC(=O)N2CC[C@H](CO)[C@H](O)C2)nc2cccnc21 ZINC000072157692 191060918 /nfs/dbraw/zinc/06/09/18/191060918.db2.gz KCZJOCAXMWHMQU-DGCLKSJQSA-N 0 0 318.377 0.103 50 0 DCAARN CCNC(=O)CN1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000072167832 191066921 /nfs/dbraw/zinc/06/69/21/191066921.db2.gz RLCABSZCDWKTLC-UHFFFAOYSA-N 0 0 301.394 0.817 50 0 DCAARN COCCS(=O)(=O)NCCNC(=O)c1ccc(C)c(F)c1 ZINC000072230479 191077815 /nfs/dbraw/zinc/07/78/15/191077815.db2.gz WCQPFPGISIWQPT-UHFFFAOYSA-N 0 0 318.370 0.430 50 0 DCAARN COCCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1F ZINC000072241630 191085258 /nfs/dbraw/zinc/08/52/58/191085258.db2.gz ZPEDXUCKEZKQPU-CABCVRRESA-N 0 0 324.352 0.877 50 0 DCAARN Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc(N(C)C)nn1)C2 ZINC000072242391 191086043 /nfs/dbraw/zinc/08/60/43/191086043.db2.gz MJHMDAPIZIECLW-NSHDSACASA-N 0 0 300.366 0.792 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cnn(CC2CC2)c1 ZINC000072251884 191087107 /nfs/dbraw/zinc/08/71/07/191087107.db2.gz ARVZBOCJDDMZQQ-LBPRGKRZSA-N 0 0 312.395 0.656 50 0 DCAARN CCn1nc(C)c2nnn(CC(=O)Nc3ccccc3)c(=O)c21 ZINC000072265381 191089909 /nfs/dbraw/zinc/08/99/09/191089909.db2.gz KFKUROKBUGVENW-UHFFFAOYSA-N 0 0 312.333 0.955 50 0 DCAARN Cn1ccc(C(=O)N[C@@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)n1 ZINC000253378402 186302456 /nfs/dbraw/zinc/30/24/56/186302456.db2.gz CNDFRESVXXLJFX-YDHLFZDLSA-N 0 0 300.362 0.927 50 0 DCAARN Cn1ccc(C(=O)N[C@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)n1 ZINC000253378401 186302492 /nfs/dbraw/zinc/30/24/92/186302492.db2.gz CNDFRESVXXLJFX-UMVBOHGHSA-N 0 0 300.362 0.927 50 0 DCAARN COCCn1cnnc1CN(C)c1cc([C@H]2C[C@@H](O)C2)ncn1 ZINC000253378480 186302505 /nfs/dbraw/zinc/30/25/05/186302505.db2.gz GKAGYDVMTJOKGQ-TXEJJXNPSA-N 0 0 318.381 0.589 50 0 DCAARN Cc1noc(C)c1C(=O)N1CCC(N2C(=O)COC2=O)CC1 ZINC000253407611 186308205 /nfs/dbraw/zinc/30/82/05/186308205.db2.gz WRGOFYYKKGDLPF-UHFFFAOYSA-N 0 0 307.306 0.875 50 0 DCAARN COCCNC(=O)CNC(=O)N1CCN(c2ccccc2)CC1 ZINC000072402005 191150541 /nfs/dbraw/zinc/15/05/41/191150541.db2.gz DYKVGVPUPBZDEU-UHFFFAOYSA-N 0 0 320.393 0.281 50 0 DCAARN COCc1nnc(NC(=O)COc2coc(C)cc2=O)s1 ZINC000072401491 191151449 /nfs/dbraw/zinc/15/14/49/191151449.db2.gz PLXAWBYQGNYUEI-UHFFFAOYSA-N 0 0 311.319 0.964 50 0 DCAARN COc1ccc2nnc(CCC(=O)NCc3cccn3C)n2n1 ZINC000072404408 191152374 /nfs/dbraw/zinc/15/23/74/191152374.db2.gz QMECKEJDIYESGV-UHFFFAOYSA-N 0 0 314.349 0.720 50 0 DCAARN O=C(c1ccon1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 ZINC000072421818 191157922 /nfs/dbraw/zinc/15/79/22/191157922.db2.gz STKFOWHSJPTWRL-WCQYABFASA-N 0 0 307.350 0.510 50 0 DCAARN CCOc1ccccc1C[N@@H+]1C[C@H]2C(=O)NC[C@@]2(C(=O)[O-])C1 ZINC000072422598 191158192 /nfs/dbraw/zinc/15/81/92/191158192.db2.gz NPGMCFJVSGJETQ-BLLLJJGKSA-N 0 0 304.346 0.718 50 0 DCAARN Cc1csc2nc(CNC(=O)[C@H]3NCCc4[nH]cnc43)cn12 ZINC000072426347 191160571 /nfs/dbraw/zinc/16/05/71/191160571.db2.gz GBHXRLOVEJTPHH-LBPRGKRZSA-N 0 0 316.390 0.931 50 0 DCAARN COC(=O)c1n[nH]cc1CN1CCC[C@@]2(CN(C)C(=O)O2)C1 ZINC000072457019 191173265 /nfs/dbraw/zinc/17/32/65/191173265.db2.gz SVGGUWZLZXRDKP-CQSZACIVSA-N 0 0 308.338 0.613 50 0 DCAARN CC(C)Cc1noc(CN(C)C(=O)[C@H]2NCCc3nc[nH]c32)n1 ZINC000072477211 191179079 /nfs/dbraw/zinc/17/90/79/191179079.db2.gz ONOKHSHUMJJDTQ-AWEZNQCLSA-N 0 0 318.381 0.837 50 0 DCAARN NC(=O)CN1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072481035 191181322 /nfs/dbraw/zinc/18/13/22/191181322.db2.gz AKLORKQLNDPRMX-QGZVFWFLSA-N 0 0 316.405 0.772 50 0 DCAARN NS(=O)(=O)c1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000000371441 180769409 /nfs/dbraw/zinc/76/94/09/180769409.db2.gz RNHQTZZJGGQXJK-UHFFFAOYSA-N 0 0 304.393 0.555 50 0 DCAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C1=COCCO1 ZINC000000848164 180836002 /nfs/dbraw/zinc/83/60/02/180836002.db2.gz LZGBGZKCNXANHC-UHFFFAOYSA-N 0 0 309.318 0.988 50 0 DCAARN O[C@@H]1CO[C@H](Nc2ccc(Br)cc2)[C@H](O)[C@@H]1O ZINC000001051628 180842846 /nfs/dbraw/zinc/84/28/46/180842846.db2.gz XNRPWNFGHKJOMI-DBIOUOCHSA-N 0 0 304.140 0.300 50 0 DCAARN O=C(CN1CCNC(=O)C1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000002649809 180944158 /nfs/dbraw/zinc/94/41/58/180944158.db2.gz FUOPIAMSZKUUCV-UHFFFAOYSA-N 0 0 313.260 0.378 50 0 DCAARN Cc1c(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cnn1C ZINC000002808117 180960572 /nfs/dbraw/zinc/96/05/72/180960572.db2.gz FQYBUKJFOFGFOQ-SNVBAGLBSA-N 0 0 300.384 0.339 50 0 DCAARN O=C(Cn1nnc2ccccc21)OCC(=O)N1CCCCC1 ZINC000003306148 181002915 /nfs/dbraw/zinc/00/29/15/181002915.db2.gz BXIHSUMVVLHXDR-UHFFFAOYSA-N 0 0 302.334 0.987 50 0 DCAARN Cc1cc(NC(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)no1 ZINC000003339163 181008654 /nfs/dbraw/zinc/00/86/54/181008654.db2.gz SSCZQCFTVIPPFN-LBPRGKRZSA-N 0 0 310.335 0.349 50 0 DCAARN CC(C)=CC(=O)OCC(=O)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000003348028 181009955 /nfs/dbraw/zinc/00/99/55/181009955.db2.gz RRZKEHCQVNHBNY-ZDUSSCGKSA-N 0 0 319.313 0.979 50 0 DCAARN COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H]1CCCO1 ZINC000003357817 181010970 /nfs/dbraw/zinc/01/09/70/181010970.db2.gz YSKUYXVYFPRVTG-SECBINFHSA-N 0 0 314.363 0.251 50 0 DCAARN COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000225405258 291011010 /nfs/dbraw/zinc/01/10/10/291011010.db2.gz BXRKHINAZISOHO-SDDRHHMPSA-N 0 0 322.427 0.207 50 0 DCAARN NC(=O)C1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000003491295 181026480 /nfs/dbraw/zinc/02/64/80/181026480.db2.gz OLGOIWAFQYDUEG-UHFFFAOYSA-N 0 0 305.334 0.551 50 0 DCAARN C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC(N)=O)C1=O ZINC000003572798 181036597 /nfs/dbraw/zinc/03/65/97/181036597.db2.gz XFCHAVSXYSTRSF-ZDUSSCGKSA-N 0 0 324.724 0.302 50 0 DCAARN C[C@@H]1CN(CC(=O)N2CCc3sccc3C2)S(=O)(=O)C1 ZINC000332186939 234620353 /nfs/dbraw/zinc/62/03/53/234620353.db2.gz AALMXLBSXBYAES-SNVBAGLBSA-N 0 0 314.432 0.914 50 0 DCAARN O=C1NCCCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000004332865 181099469 /nfs/dbraw/zinc/09/94/69/181099469.db2.gz NCSLDSMRYPXUPB-LBPRGKRZSA-N 0 0 310.375 0.569 50 0 DCAARN Nn1c(=O)cnnc1SCC(=O)N1CCc2ccccc21 ZINC000004338028 181099879 /nfs/dbraw/zinc/09/98/79/181099879.db2.gz UVPGVCAJCHJVII-UHFFFAOYSA-N 0 0 303.347 0.034 50 0 DCAARN CCc1ccc(NC(=O)CSc2nncc(=O)n2N)cc1 ZINC000004338063 181099979 /nfs/dbraw/zinc/09/99/79/181099979.db2.gz WTMFJJCUWSLHIV-UHFFFAOYSA-N 0 0 305.363 0.645 50 0 DCAARN Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2 ZINC000004400197 181107144 /nfs/dbraw/zinc/10/71/44/181107144.db2.gz VSYWXZHKEIDEDF-SSDOTTSWSA-N 0 0 300.405 0.736 50 0 DCAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCO)cc1 ZINC000004544717 181122382 /nfs/dbraw/zinc/12/23/82/181122382.db2.gz NBOMYPLVTHKBHN-UHFFFAOYSA-N 0 0 300.380 0.114 50 0 DCAARN COc1ccc(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004505313 181116921 /nfs/dbraw/zinc/11/69/21/181116921.db2.gz YFFJPXLKPZODIB-JTQLQIEISA-N 0 0 319.404 0.503 50 0 DCAARN CCOC(=O)C1=C2C(=O)N(c3ccccc3)C(=O)[C@@]2(C)NN1 ZINC000004719449 181141709 /nfs/dbraw/zinc/14/17/09/181141709.db2.gz WQEXMDGFLAILTH-BMIGLBTASA-N 0 0 301.302 0.457 50 0 DCAARN COc1cc(C(=S)N2CCOCC2)ccc1OCC(N)=O ZINC000004722224 181142506 /nfs/dbraw/zinc/14/25/06/181142506.db2.gz UDWINCGQESSZCJ-UHFFFAOYSA-N 0 0 310.375 0.567 50 0 DCAARN COC(=O)CCNC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000065612493 291043704 /nfs/dbraw/zinc/04/37/04/291043704.db2.gz DAXIFEUULGYKDC-SCRDCRAPSA-N 0 0 300.399 0.800 50 0 DCAARN CCc1ccccc1NC(=O)CSc1nnc(C)c(=O)n1N ZINC000004854912 181163802 /nfs/dbraw/zinc/16/38/02/181163802.db2.gz TWHYVGDEIHPTCS-UHFFFAOYSA-N 0 0 319.390 0.954 50 0 DCAARN C=CC(=O)OCCOCCOCCOCCOC(=O)C=C ZINC000004975407 181183061 /nfs/dbraw/zinc/18/30/61/181183061.db2.gz HCLJOFJIQIJXHS-UHFFFAOYSA-N 0 0 302.323 0.495 50 0 DCAARN NC(=O)CSc1nnc(CNC(=O)c2ccc(F)cc2)o1 ZINC000005107426 181204664 /nfs/dbraw/zinc/20/46/64/181204664.db2.gz XQSLLAPGNJCDOT-UHFFFAOYSA-N 0 0 310.310 0.716 50 0 DCAARN COc1ccc(CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000005117875 181204975 /nfs/dbraw/zinc/20/49/75/181204975.db2.gz YKRDZHYKFDJCGH-UHFFFAOYSA-N 0 0 314.345 0.685 50 0 DCAARN NC(=O)CN1CCN(c2nc3ccccc3cc2CO)CC1 ZINC000077907225 191794348 /nfs/dbraw/zinc/79/43/48/191794348.db2.gz OYSHFMQPRDIPKQ-UHFFFAOYSA-N 0 0 300.362 0.334 50 0 DCAARN O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCOCC1 ZINC000005194465 181215827 /nfs/dbraw/zinc/21/58/27/181215827.db2.gz ANYUNHQFDWFKCV-LBPRGKRZSA-N 0 0 307.325 0.973 50 0 DCAARN COc1cccc(C(=O)NCCS(=O)(=O)N2CCCC2)c1 ZINC000005272923 181224983 /nfs/dbraw/zinc/22/49/83/181224983.db2.gz OKXXTARBCWOCAM-UHFFFAOYSA-N 0 0 312.391 0.851 50 0 DCAARN CCCNS(=O)(=O)CCNC(=O)c1cccc(OC)c1 ZINC000005301853 181227673 /nfs/dbraw/zinc/22/76/73/181227673.db2.gz WUYAFOLXHLHNJQ-UHFFFAOYSA-N 0 0 300.380 0.754 50 0 DCAARN O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1COCCN1 ZINC000237906191 202385221 /nfs/dbraw/zinc/38/52/21/202385221.db2.gz MWJDTMOFEJSKCQ-NEPJUHHUSA-N 0 0 323.780 0.550 50 0 DCAARN O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1COCCN1 ZINC000237906290 202386445 /nfs/dbraw/zinc/38/64/45/202386445.db2.gz MWJDTMOFEJSKCQ-VXGBXAGGSA-N 0 0 323.780 0.550 50 0 DCAARN O=C(COc1nncc2ccccc21)N[C@H]1CCS(=O)(=O)C1 ZINC000006051559 181308550 /nfs/dbraw/zinc/30/85/50/181308550.db2.gz IJLMSLGIEXKCDK-NSHDSACASA-N 0 0 321.358 0.312 50 0 DCAARN O=C(c1ccc2c(c1)OCO2)N1CC(N2C(=O)CCC2=O)C1 ZINC000238812668 238157574 /nfs/dbraw/zinc/15/75/74/238157574.db2.gz ARKZMMALXMXZBP-UHFFFAOYSA-N 0 0 302.286 0.389 50 0 DCAARN CCn1c(SCC(=O)NC(=O)NC)nc2ccccc2c1=O ZINC000006093455 181312087 /nfs/dbraw/zinc/31/20/87/181312087.db2.gz RFIOHEGQFUEMMA-UHFFFAOYSA-N 0 0 320.374 0.964 50 0 DCAARN NS(=O)(=O)CC1CCN(C(=O)NCCn2cccc2)CC1 ZINC000192492490 200887755 /nfs/dbraw/zinc/88/77/55/200887755.db2.gz RRSWIFASGSYINI-UHFFFAOYSA-N 0 0 314.411 0.198 50 0 DCAARN CC(C)S(=O)(=O)CCNC(=O)CN(C)Cc1ccncc1 ZINC000244787546 202497775 /nfs/dbraw/zinc/49/77/75/202497775.db2.gz PZEIHEJALFZVHQ-UHFFFAOYSA-N 0 0 313.423 0.453 50 0 DCAARN COc1ccc(-n2cnnc2SCC(=O)NC(N)=O)cc1 ZINC000006621962 181361810 /nfs/dbraw/zinc/36/18/10/181361810.db2.gz BGRANZMKZXFYMD-UHFFFAOYSA-N 0 0 307.335 0.563 50 0 DCAARN CCNC(=O)COC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC ZINC000006650410 181364887 /nfs/dbraw/zinc/36/48/87/181364887.db2.gz WANBJSCJQDFDDR-UHFFFAOYSA-N 0 0 319.317 0.003 50 0 DCAARN O=C(Nc1ccc(S(=O)(=O)NCCO)cc1)N1CCCC1 ZINC000006702063 181373696 /nfs/dbraw/zinc/37/36/96/181373696.db2.gz XCASXYDGNQWLJW-UHFFFAOYSA-N 0 0 313.379 0.585 50 0 DCAARN Cn1c(=O)cc(CNC(=O)c2ccc(F)c(F)c2)n(C)c1=O ZINC000006719855 181376966 /nfs/dbraw/zinc/37/69/66/181376966.db2.gz WSTGZSAVJIQZTN-UHFFFAOYSA-N 0 0 309.272 0.292 50 0 DCAARN O=C(CN1Cc2ccccc2C1=O)NCCCN1CCCC1=O ZINC000006875621 181399299 /nfs/dbraw/zinc/39/92/99/181399299.db2.gz PNJWDOKWDUICCY-UHFFFAOYSA-N 0 0 315.373 0.771 50 0 DCAARN C[N@@H+]1CC[C@H]2CN(C(=O)CCc3cn[nH]c3)C[C@@]2(C(=O)[O-])C1 ZINC000091326821 193040893 /nfs/dbraw/zinc/04/08/93/193040893.db2.gz IGWGVQMDDMAVDI-WFASDCNBSA-N 0 0 306.366 0.207 50 0 DCAARN O=C(CN1C(=O)CNC1=O)N1CCCC[C@@H]1c1nccs1 ZINC000091575117 193074258 /nfs/dbraw/zinc/07/42/58/193074258.db2.gz VZTADOYKWGGLBV-SECBINFHSA-N 0 0 308.363 0.749 50 0 DCAARN Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)n1 ZINC000091745412 193100471 /nfs/dbraw/zinc/10/04/71/193100471.db2.gz LGQZXJYRCUIRGC-WDEREUQCSA-N 0 0 312.395 0.214 50 0 DCAARN NC(=O)CN1CCC(C(=O)NC[C@@H](O)c2cccc(F)c2)CC1 ZINC000091781652 193107136 /nfs/dbraw/zinc/10/71/36/193107136.db2.gz YQGWAFADLLIUBX-CQSZACIVSA-N 0 0 323.368 0.173 50 0 DCAARN CC[NH+]1CCN(CC(=O)N2CCC[C@](CC)(C(=O)[O-])C2)CC1 ZINC000091934638 193129058 /nfs/dbraw/zinc/12/90/58/193129058.db2.gz QPNXSFSCGZJDJR-INIZCTEOSA-N 0 0 311.426 0.727 50 0 DCAARN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CCc1ccc(O)cc1 ZINC000216151998 201483958 /nfs/dbraw/zinc/48/39/58/201483958.db2.gz RYGWLTLISDFLSU-CHWSQXEVSA-N 0 0 313.375 0.253 50 0 DCAARN NC(=O)CN1CC2(CCC1=O)CCN(c1ncccn1)CC2 ZINC000092096938 193157263 /nfs/dbraw/zinc/15/72/63/193157263.db2.gz UPXXBYRTBPMDSO-UHFFFAOYSA-N 0 0 303.366 0.171 50 0 DCAARN Cc1nc(SCCNC(=O)C[C@@H]2C=CS(=O)(=O)C2)n[nH]1 ZINC000219473684 201558299 /nfs/dbraw/zinc/55/82/99/201558299.db2.gz HTFXDZJNDBNQDC-VIFPVBQESA-N 0 0 316.408 0.270 50 0 DCAARN Cc1nnnn1CCC(=O)N1CCC(CCn2cccn2)CC1 ZINC000219955366 201566208 /nfs/dbraw/zinc/56/62/08/201566208.db2.gz HLAAVXCUWXUGHR-UHFFFAOYSA-N 0 0 317.397 0.897 50 0 DCAARN CSCC[C@H](O)C(=O)NCc1ccc(C(=O)N(C)C)o1 ZINC000223735714 201654665 /nfs/dbraw/zinc/65/46/65/201654665.db2.gz WQWVFHWWPVDJPB-JTQLQIEISA-N 0 0 300.380 0.712 50 0 DCAARN CCCc1nnc(N2CCCO[C@@H](CN3CCOCC3)C2)o1 ZINC000095361969 284123928 /nfs/dbraw/zinc/12/39/28/284123928.db2.gz APCKNSLQHUSDRU-ZDUSSCGKSA-N 0 0 310.398 0.950 50 0 DCAARN Cc1cc(C[NH+]2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)on1 ZINC000095360632 193431021 /nfs/dbraw/zinc/43/10/21/193431021.db2.gz AACGETNIYBHCDM-GFCCVEGCSA-N 0 0 307.350 0.881 50 0 DCAARN O=C(NCCc1n[nH]c(=O)[n-]1)C1CC[NH+](C2CCCCC2)CC1 ZINC000095367491 193433325 /nfs/dbraw/zinc/43/33/25/193433325.db2.gz WHJJMZSFHAQPKF-UHFFFAOYSA-N 0 0 321.425 0.801 50 0 DCAARN CNC(=O)[C@H]1CN(CCCN2CCOC2=O)c2ccccc2O1 ZINC000095373522 193436919 /nfs/dbraw/zinc/43/69/19/193436919.db2.gz FBOPWFAAFKPMSS-CQSZACIVSA-N 0 0 319.361 0.842 50 0 DCAARN CCOCC(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000096005317 193487085 /nfs/dbraw/zinc/48/70/85/193487085.db2.gz YMQVMBZIOYSSFC-CYBMUJFWSA-N 0 0 318.439 0.876 50 0 DCAARN CC(C)(C)S(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000096103440 193538644 /nfs/dbraw/zinc/53/86/44/193538644.db2.gz ZHBNMHNKPUKZBX-SECBINFHSA-N 0 0 321.424 0.386 50 0 DCAARN C[C@H](Cc1ccccc1F)C(=O)NCCCS(N)(=O)=O ZINC000096414319 193627733 /nfs/dbraw/zinc/62/77/33/193627733.db2.gz JDACQYAEHYBMRY-SNVBAGLBSA-N 0 0 302.371 0.799 50 0 DCAARN O=C(NCCNS(=O)(=O)c1ccccc1)c1cnccn1 ZINC000007871448 181504105 /nfs/dbraw/zinc/50/41/05/181504105.db2.gz YLDAICFBSTUQGD-UHFFFAOYSA-N 0 0 306.347 0.185 50 0 DCAARN C[C@@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(N)=O ZINC000007977921 181514508 /nfs/dbraw/zinc/51/45/08/181514508.db2.gz IZTMDCRUUZRUTJ-RXMQYKEDSA-N 0 0 306.727 0.018 50 0 DCAARN O=C(CSc1nnc([C@H]2CCS(=O)(=O)C2)o1)NC1CC1 ZINC000008261804 181540501 /nfs/dbraw/zinc/54/05/01/181540501.db2.gz ZWBMWSTXHJGXNS-ZETCQYMHSA-N 0 0 317.392 0.342 50 0 DCAARN CCOC(=O)c1ccc(NC(=O)COC(=O)CNC(C)=O)cc1 ZINC000008474698 181557881 /nfs/dbraw/zinc/55/78/81/181557881.db2.gz IQIURHCRDPWFPG-UHFFFAOYSA-N 0 0 322.317 0.481 50 0 DCAARN Cc1cccc(N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 ZINC000008728418 181579476 /nfs/dbraw/zinc/57/94/76/181579476.db2.gz QSRRHGKGBARSQO-JTQLQIEISA-N 0 0 316.361 0.658 50 0 DCAARN CCN(CC(=O)NC(C)C)S(=O)(=O)N1CCCCCC1 ZINC000008982660 181593962 /nfs/dbraw/zinc/59/39/62/181593962.db2.gz CXYURBBKGJNPMW-UHFFFAOYSA-N 0 0 305.444 0.954 50 0 DCAARN COc1cc([C@@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)ccc1O ZINC000009013886 181596651 /nfs/dbraw/zinc/59/66/51/181596651.db2.gz QUTYQXICRZCIDB-ZETCQYMHSA-N 0 0 302.290 0.540 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000010753217 181678207 /nfs/dbraw/zinc/67/82/07/181678207.db2.gz WJSUQQPNESHWIX-ZDUSSCGKSA-N 0 0 312.391 0.937 50 0 DCAARN C[C@@H]1CN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CCO1 ZINC000011497534 181691468 /nfs/dbraw/zinc/69/14/68/181691468.db2.gz RPFNQXBIDRRXOD-LLVKDONJSA-N 0 0 317.345 0.599 50 0 DCAARN COc1cc(CCC(=O)N2CCNC(=O)C2)cc(OC)c1OC ZINC000012877011 181805831 /nfs/dbraw/zinc/80/58/31/181805831.db2.gz YTIHNMMZYZORAL-UHFFFAOYSA-N 0 0 322.361 0.603 50 0 DCAARN COc1ccc2c(C)c(CC(=O)NC[C@H](O)CO)c(=O)oc2c1 ZINC000012895294 181808972 /nfs/dbraw/zinc/80/89/72/181808972.db2.gz JWVFENMGYRGEDK-JTQLQIEISA-N 0 0 321.329 0.122 50 0 biogenic DCAARN COCCNC(=O)[C@@H]1CC(c2ccc(OC)c(OC)c2)=NO1 ZINC000012848231 181802631 /nfs/dbraw/zinc/80/26/31/181802631.db2.gz RBVUVOCKFHBACP-AWEZNQCLSA-N 0 0 308.334 0.959 50 0 DCAARN COCCNC(=O)C(=O)NCCc1ccc2c(c1)CCCN2C ZINC000013006763 181822232 /nfs/dbraw/zinc/82/22/32/181822232.db2.gz FRDYKPSSPVVTGY-UHFFFAOYSA-N 0 0 319.405 0.490 50 0 DCAARN CC1(C)NC(=O)N(CCN2CCO[C@H](c3nccs3)C2)C1=O ZINC000097199879 193686915 /nfs/dbraw/zinc/68/69/15/193686915.db2.gz HPKKGZJVCZNQIZ-JTQLQIEISA-N 0 0 324.406 0.847 50 0 DCAARN C[C@@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C[C@@H](C)O1 ZINC000014139933 181929126 /nfs/dbraw/zinc/92/91/26/181929126.db2.gz XYRCBOSBJFDGBT-GHMZBOCLSA-N 0 0 320.345 0.781 50 0 DCAARN Cc1cccc(C(=O)N2CCN(C(=O)c3nonc3N)CC2)c1 ZINC000015670948 182011053 /nfs/dbraw/zinc/01/10/53/182011053.db2.gz CHIUHHBGBKQXSS-UHFFFAOYSA-N 0 0 315.333 0.558 50 0 DCAARN COCCNS(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000015677245 182012017 /nfs/dbraw/zinc/01/20/17/182012017.db2.gz CUXUDCDGPPHEMZ-UHFFFAOYSA-N 0 0 302.377 0.656 50 0 DCAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NC2CC2)cc1 ZINC000016647660 182055471 /nfs/dbraw/zinc/05/54/71/182055471.db2.gz ATJZGPNRWZNKAZ-CYBMUJFWSA-N 0 0 322.386 0.953 50 0 DCAARN C[C@@H](Sc1ccccn1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000018241212 182100042 /nfs/dbraw/zinc/10/00/42/182100042.db2.gz SKDPCIBYDOHSNC-MRVPVSSYSA-N 0 0 320.374 0.425 50 0 DCAARN Cc1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1 ZINC000019831229 182153937 /nfs/dbraw/zinc/15/39/37/182153937.db2.gz CPHODRPSQZHUDF-UHFFFAOYSA-N 0 0 305.378 0.772 50 0 DCAARN CCN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000019936427 182167365 /nfs/dbraw/zinc/16/73/65/182167365.db2.gz VMLXOWQOIPRAMN-UHFFFAOYSA-N 0 0 311.363 0.447 50 0 DCAARN CC1(C)[C@@]2(C(=O)N3CCN(CCO)CC3)CC[C@]1(C)C(=O)C2 ZINC000020113761 182188681 /nfs/dbraw/zinc/18/86/81/182188681.db2.gz KMUNOUDOGWERHL-SJORKVTESA-N 0 0 308.422 0.908 50 0 biogenic DCAARN O=C(NCCN1CCOCC1)Nc1cnc2ccccn2c1=O ZINC000020463308 182220907 /nfs/dbraw/zinc/22/09/07/182220907.db2.gz MJXXGHBGBUBAJU-UHFFFAOYSA-N 0 0 317.349 0.148 50 0 DCAARN O=C(NCCCN1CCOCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000020719756 182243811 /nfs/dbraw/zinc/24/38/11/182243811.db2.gz RMXCHPDTBUIITN-UHFFFAOYSA-N 0 0 316.361 0.375 50 0 DCAARN Cc1c(S(=O)(=O)N(C)Cc2c(Cl)cnn2C)cnn1C ZINC000020602459 182237265 /nfs/dbraw/zinc/23/72/65/182237265.db2.gz GKSRUFDXKIMNLI-UHFFFAOYSA-N 0 0 317.802 0.936 50 0 DCAARN NC(=O)NCc1ccc(C(=O)NCCCN2CCCC2=O)cc1 ZINC000020896533 182252414 /nfs/dbraw/zinc/25/24/14/182252414.db2.gz RARXHRKQAZBEQA-UHFFFAOYSA-N 0 0 318.377 0.597 50 0 DCAARN CCOC(=O)CCc1c(C)nc2ncnn2c1NCCOC ZINC000022329744 182318115 /nfs/dbraw/zinc/31/81/15/182318115.db2.gz ZOWLKJKEDVVBKX-UHFFFAOYSA-N 0 0 307.354 0.987 50 0 DCAARN Nc1nccnc1C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000022411284 182320842 /nfs/dbraw/zinc/32/08/42/182320842.db2.gz NOWZHPIPKIRWAK-UHFFFAOYSA-N 0 0 319.409 0.824 50 0 DCAARN C[C@H](C(=O)NCc1ccc(F)cc1)N1CCN(CCO)CC1 ZINC000022817846 182336078 /nfs/dbraw/zinc/33/60/78/182336078.db2.gz UACBTVPKWHXBBD-CYBMUJFWSA-N 0 0 309.385 0.440 50 0 DCAARN O=C(NCCCn1ncccc1=O)c1ccc2c(c1)OCO2 ZINC000023137374 182350514 /nfs/dbraw/zinc/35/05/14/182350514.db2.gz HOYFNAFWOREDME-UHFFFAOYSA-N 0 0 301.302 0.792 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCc1ccccc1 ZINC000023141962 182350714 /nfs/dbraw/zinc/35/07/14/182350714.db2.gz ZNMWEFKIOYJVQJ-UHFFFAOYSA-N 0 0 301.346 0.663 50 0 DCAARN NC(=O)Cn1c(SCC(=O)NC2CC2)nnc1-c1ccco1 ZINC000023348018 182357564 /nfs/dbraw/zinc/35/75/64/182357564.db2.gz QGZLMVPIQCBQFU-UHFFFAOYSA-N 0 0 321.362 0.394 50 0 DCAARN O=S(=O)(NCCN1CCOCC1)c1ccc2c(c1)CCC2 ZINC000023640704 182365323 /nfs/dbraw/zinc/36/53/23/182365323.db2.gz QKKPAAXLHPWWSF-UHFFFAOYSA-N 0 0 310.419 0.786 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)OC(=O)CN2C(=O)CCC2=O)no1 ZINC000024080072 182375028 /nfs/dbraw/zinc/37/50/28/182375028.db2.gz ROTBIUVOSZJOBL-QMMMGPOBSA-N 0 0 309.278 0.002 50 0 DCAARN C[C@H](c1ccc(F)c(F)c1)N(C)CC(=O)N1CCNC(=O)C1 ZINC000024250891 182378095 /nfs/dbraw/zinc/37/80/95/182378095.db2.gz QLIWECDKDKYZDU-SNVBAGLBSA-N 0 0 311.332 0.916 50 0 DCAARN C[C@H]1CN(CC(=O)NCC(=O)Nc2ccc(F)cc2)CCO1 ZINC000024014333 182372195 /nfs/dbraw/zinc/37/21/95/182372195.db2.gz FVCHUTONTYTFNP-NSHDSACASA-N 0 0 309.341 0.601 50 0 DCAARN Cc1cnc(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)cn1 ZINC000024609998 182385309 /nfs/dbraw/zinc/38/53/09/182385309.db2.gz CKCSIJZZAWCDFK-UHFFFAOYSA-N 0 0 320.374 0.504 50 0 DCAARN C[C@@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[C@H]1CCCO1 ZINC000027893854 182496622 /nfs/dbraw/zinc/49/66/22/182496622.db2.gz ZGYGEXLKSNNISN-PRHODGIISA-N 0 0 303.318 0.514 50 0 DCAARN C[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@@H]1CCCO1 ZINC000031122527 182607011 /nfs/dbraw/zinc/60/70/11/182607011.db2.gz RTPOAHDGPXDURK-JQWIXIFHSA-N 0 0 319.427 0.277 50 0 DCAARN COCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1F ZINC000032937279 182683377 /nfs/dbraw/zinc/68/33/77/182683377.db2.gz CZZBOIGJGZJLHU-MRVPVSSYSA-N 0 0 307.318 0.890 50 0 DCAARN CC(C)C(=O)Nc1cc(C(=O)N2CCOCC2)cn(C)c1=O ZINC000038486404 182999494 /nfs/dbraw/zinc/99/94/94/182999494.db2.gz OWNTXGOZVCAVCM-UHFFFAOYSA-N 0 0 307.350 0.452 50 0 DCAARN O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)N1CCOCC1 ZINC000038756112 183009488 /nfs/dbraw/zinc/00/94/88/183009488.db2.gz DFFOVVWWFWLEKY-SNVBAGLBSA-N 0 0 321.402 0.628 50 0 DCAARN CS(=O)(=O)c1ccc(NCCCO)c(S(C)(=O)=O)c1 ZINC000040477500 183075851 /nfs/dbraw/zinc/07/58/51/183075851.db2.gz AWFRSVMHHPRQBV-UHFFFAOYSA-N 0 0 307.393 0.288 50 0 DCAARN CC(=O)N1CCN(C(=O)c2cccnc2N2CCCC2)CC1 ZINC000040480539 183076465 /nfs/dbraw/zinc/07/64/65/183076465.db2.gz DAHBPTKFMFKRGL-UHFFFAOYSA-N 0 0 302.378 0.986 50 0 DCAARN CNC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000040487635 183078684 /nfs/dbraw/zinc/07/86/84/183078684.db2.gz PXTYMVRSUAOJPR-UHFFFAOYSA-N 0 0 316.383 0.327 50 0 DCAARN Cn1ncc2c1ncn(C[C@H](O)COc1ccccc1F)c2=O ZINC000040490205 183079650 /nfs/dbraw/zinc/07/96/50/183079650.db2.gz AVIUMTCTFKZVPY-JTQLQIEISA-N 0 0 318.308 0.709 50 0 DCAARN CN(C(=O)c1cnn(C)c1-n1cccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000040490398 183079713 /nfs/dbraw/zinc/07/97/13/183079713.db2.gz YQTSZUGTXDUNMO-LLVKDONJSA-N 0 0 322.390 0.470 50 0 DCAARN CS(=O)(=O)c1ccc(C(=O)NCCNc2ncccn2)cc1 ZINC000040493239 183080455 /nfs/dbraw/zinc/08/04/55/183080455.db2.gz JRUDBZCLZBCMLK-UHFFFAOYSA-N 0 0 320.374 0.722 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1 ZINC000040497656 183082089 /nfs/dbraw/zinc/08/20/89/183082089.db2.gz JZRLNKTTYFCHKX-MFKMUULPSA-N 0 0 312.391 0.892 50 0 DCAARN Cn1cnnc1CNC(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000040512120 183087428 /nfs/dbraw/zinc/08/74/28/183087428.db2.gz LCCBGPROMKNUAS-UHFFFAOYSA-N 0 0 315.333 0.395 50 0 DCAARN CCCc1noc(C2CCN(C(=O)Cn3cnnn3)CC2)n1 ZINC000041123547 183168451 /nfs/dbraw/zinc/16/84/51/183168451.db2.gz NERFYMRMJBWAGS-UHFFFAOYSA-N 0 0 305.342 0.415 50 0 DCAARN Cn1c2ccccc2n(CCC(=O)NC[C@H]2CCOC2)c1=O ZINC000041370035 183187150 /nfs/dbraw/zinc/18/71/50/183187150.db2.gz XPXQKNPFAMYJAY-GFCCVEGCSA-N 0 0 303.362 0.883 50 0 DCAARN CCC[C@H](C)N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000041474025 183193865 /nfs/dbraw/zinc/19/38/65/183193865.db2.gz NGMKZNKBAKOFQY-JTQLQIEISA-N 0 0 318.377 0.893 50 0 DCAARN C[C@]1(NC(=O)c2cc(=O)c3ccccc3[nH]2)CCS(=O)(=O)C1 ZINC000041796025 183220766 /nfs/dbraw/zinc/22/07/66/183220766.db2.gz OLLZLOOFYICXQY-HNNXBMFYSA-N 0 0 320.370 0.835 50 0 DCAARN C[C@@H]1CN(CCNS(=O)(=O)N2CCCCCC2)C[C@@H](C)O1 ZINC000041892523 183223656 /nfs/dbraw/zinc/22/36/56/183223656.db2.gz JERHQYPGHPSRQN-ZIAGYGMSSA-N 0 0 319.471 0.806 50 0 DCAARN C[C@H](Cn1ccnc1)NC(=O)c1cnc2n(c1=O)CCS2 ZINC000042513218 183278836 /nfs/dbraw/zinc/27/88/36/183278836.db2.gz LRECDCRETRJSPR-SECBINFHSA-N 0 0 305.363 0.364 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)NC2CCC(O)CC2)CC1 ZINC000042961066 183323737 /nfs/dbraw/zinc/32/37/37/183323737.db2.gz IBLHGYZJKNQOGR-UHFFFAOYSA-N 0 0 319.427 0.013 50 0 DCAARN C[C@@H](OCC(F)(F)F)C(=O)NC1CCN(CC(N)=O)CC1 ZINC000043008279 183326883 /nfs/dbraw/zinc/32/68/83/183326883.db2.gz IRCLGHODMDCGMV-MRVPVSSYSA-N 0 0 311.304 0.020 50 0 DCAARN CCCc1nc(C)c(C(=O)NCCNS(C)(=O)=O)s1 ZINC000043012118 183327808 /nfs/dbraw/zinc/32/78/08/183327808.db2.gz DJSBQHWNVTZPIF-UHFFFAOYSA-N 0 0 305.425 0.683 50 0 DCAARN CC(C)CO[C@@H](C)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000042773240 183307103 /nfs/dbraw/zinc/30/71/03/183307103.db2.gz VOZDGTQKKMHCGZ-RYUDHWBXSA-N 0 0 306.428 0.588 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N[C@H]1CCSc2ccccc21 ZINC000042814298 183312262 /nfs/dbraw/zinc/31/22/62/183312262.db2.gz GMHJZZNWPVUCGZ-VHSXEESVSA-N 0 0 305.359 0.938 50 0 DCAARN COc1cccc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c1OC ZINC000044456475 183410844 /nfs/dbraw/zinc/41/08/44/183410844.db2.gz DXQQHULJKCQPAR-SNVBAGLBSA-N 0 0 313.375 0.868 50 0 DCAARN C[C@@H](NC(=O)CCn1cncn1)c1nnc2n1CCCCC2 ZINC000043975394 183391174 /nfs/dbraw/zinc/39/11/74/183391174.db2.gz YYTPRQOZWXOHCQ-LLVKDONJSA-N 0 0 303.370 0.864 50 0 DCAARN O=C(/C=C/c1ccco1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000044227335 183399404 /nfs/dbraw/zinc/39/94/04/183399404.db2.gz OPWWWSWOXUORLF-ZZXKWVIFSA-N 0 0 310.375 0.929 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H](C(=O)NCCCn2cccn2)C1 ZINC000044911102 183455204 /nfs/dbraw/zinc/45/52/04/183455204.db2.gz KRKXQTQPOKPBFV-GFCCVEGCSA-N 0 0 314.411 0.061 50 0 DCAARN C[C@H](C(=O)N1CCOCC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000044948383 183464530 /nfs/dbraw/zinc/46/45/30/183464530.db2.gz CVHZQZYGXUXTTL-SECBINFHSA-N 0 0 319.329 0.986 50 0 DCAARN O=S(=O)(NCC(F)(F)CO)c1ccc2c(c1)CCCO2 ZINC000274267530 211471111 /nfs/dbraw/zinc/47/11/11/211471111.db2.gz OXOAJBJJXNUVMB-UHFFFAOYSA-N 0 0 307.318 0.918 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCOc2ccccc21 ZINC000047595146 183596570 /nfs/dbraw/zinc/59/65/70/183596570.db2.gz MIPLVTJPPIPAER-ZYHUDNBSSA-N 0 0 310.375 0.997 50 0 DCAARN C[C@H](CNS(=O)(=O)c1cnn(C)c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000106074453 194183843 /nfs/dbraw/zinc/18/38/43/194183843.db2.gz VQYMSFNJGAHFNG-IJLUTSLNSA-N 0 0 316.427 0.196 50 0 DCAARN O=C1OCC[C@@H]1N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 ZINC000106658835 194241195 /nfs/dbraw/zinc/24/11/95/194241195.db2.gz OVBGOUGUAPKXHG-JSGCOSHPSA-N 0 0 324.402 0.745 50 0 DCAARN CN(Cc1ccccc1N1CCCC1)C(=O)Cn1cnnn1 ZINC000052398389 183859646 /nfs/dbraw/zinc/85/96/46/183859646.db2.gz JJRPONQOBRJSEW-UHFFFAOYSA-N 0 0 300.366 0.932 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)C1 ZINC000053894877 183915642 /nfs/dbraw/zinc/91/56/42/183915642.db2.gz KIKCXUFVKRIKRA-JTQLQIEISA-N 0 0 307.316 0.595 50 0 DCAARN C[C@H](Cc1ccc(O)cc1)NC(=O)NCCN1CCOCC1 ZINC000055083742 183962596 /nfs/dbraw/zinc/96/25/96/183962596.db2.gz ZELMLWJGABSWEC-CYBMUJFWSA-N 0 0 307.394 0.955 50 0 DCAARN CCCN1C[C@@H](NC(=O)CCC(=O)NC2CCCC2)CC1=O ZINC000055281820 183976752 /nfs/dbraw/zinc/97/67/52/183976752.db2.gz HOYFBWUCKIXNMR-ZDUSSCGKSA-N 0 0 309.410 0.953 50 0 DCAARN Cc1cc(C)n(CC(=O)N2CCC(N3CCNC3=O)CC2)n1 ZINC000055786274 183997257 /nfs/dbraw/zinc/99/72/57/183997257.db2.gz MIEAODCDHILNPK-UHFFFAOYSA-N 0 0 305.382 0.516 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccsc1-n1cccc1 ZINC000056113669 184005251 /nfs/dbraw/zinc/00/52/51/184005251.db2.gz JYDNIXOFTHVULU-JTQLQIEISA-N 0 0 318.358 0.753 50 0 DCAARN CCCNC(=O)c1cc(OCC(=O)N2CCCCC2)n(C)n1 ZINC000057355347 184035104 /nfs/dbraw/zinc/03/51/04/184035104.db2.gz TULIOTCORXTIQH-UHFFFAOYSA-N 0 0 308.382 0.951 50 0 DCAARN Cc1cc(-c2nn3c(CN4CCOCC4)nnc3s2)n[nH]1 ZINC000057524462 184041039 /nfs/dbraw/zinc/04/10/39/184041039.db2.gz WGKIBQJYJMGQPQ-UHFFFAOYSA-N 0 0 305.367 0.717 50 0 DCAARN Cc1cc(CNC(=O)CCc2ccc(S(N)(=O)=O)cc2)no1 ZINC000058210957 184088805 /nfs/dbraw/zinc/08/88/05/184088805.db2.gz HQDHEUJVWAKWIX-UHFFFAOYSA-N 0 0 323.374 0.879 50 0 DCAARN CCN(C[C@H]1CCOC1)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000058344179 184107263 /nfs/dbraw/zinc/10/72/63/184107263.db2.gz VYTRJCNSRIEUFX-LLVKDONJSA-N 0 0 312.391 0.833 50 0 DCAARN COCCCNC(=O)CN(C)C(=O)c1ccc(C(=O)OC)cc1 ZINC000058357276 184108265 /nfs/dbraw/zinc/10/82/65/184108265.db2.gz NSRXAJKEFZDFKN-UHFFFAOYSA-N 0 0 322.361 0.698 50 0 DCAARN CCN(CC)S(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000058268652 184097935 /nfs/dbraw/zinc/09/79/35/184097935.db2.gz MEHUNOUWGACVQE-NEPJUHHUSA-N 0 0 305.444 0.952 50 0 DCAARN CCNC(=O)NC1CCC(OC(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000058282384 184100086 /nfs/dbraw/zinc/10/00/86/184100086.db2.gz QFEIDOAKAKZOFI-UHFFFAOYSA-N 0 0 324.381 0.768 50 0 DCAARN CCCCN(C)S(=O)(=O)NCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000058314748 184103971 /nfs/dbraw/zinc/10/39/71/184103971.db2.gz JCPBSDXWJACFMH-BETUJISGSA-N 0 0 307.460 0.662 50 0 DCAARN CC(=O)c1cccc(NC(=O)NC[C@H](O)CN2CCCC2=O)c1 ZINC000058331592 184106360 /nfs/dbraw/zinc/10/63/60/184106360.db2.gz REVYSZGZCUEBPR-AWEZNQCLSA-N 0 0 319.361 0.994 50 0 DCAARN O=C(COc1cc(F)cc(F)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000058343695 184107012 /nfs/dbraw/zinc/10/70/12/184107012.db2.gz XUVDOBSQSRANEZ-JTQLQIEISA-N 0 0 305.302 0.647 50 0 DCAARN C[C@@H]1CCCN(S(=O)(=O)NCCCN2CCOCC2)C1 ZINC000058723601 184126872 /nfs/dbraw/zinc/12/68/72/184126872.db2.gz VGBYAOPGOZLOGH-CYBMUJFWSA-N 0 0 305.444 0.275 50 0 DCAARN Cc1nnc2c(=O)n(CC(=O)NCC3CC3)c3cccnc3n12 ZINC000065173002 184313727 /nfs/dbraw/zinc/31/37/27/184313727.db2.gz BDAAMRKFPTZKGD-UHFFFAOYSA-N 0 0 312.333 0.274 50 0 DCAARN COCCCNC(=O)c1ccc2c(c1)N(S(C)(=O)=O)CC2 ZINC000065210514 184314597 /nfs/dbraw/zinc/31/45/97/184314597.db2.gz UZJPBXZUAKSXHP-UHFFFAOYSA-N 0 0 312.391 0.775 50 0 DCAARN COCC(=O)N1CC[C@@H](Oc2cc(N3CCCC3)ncn2)C1 ZINC000065269420 184320183 /nfs/dbraw/zinc/32/01/83/184320183.db2.gz AFULIZDDYCHJEM-GFCCVEGCSA-N 0 0 306.366 0.703 50 0 DCAARN Cc1ccsc1CCNC(=O)C[C@H]1C(=O)N(C)C(=O)N1C ZINC000065371035 184329821 /nfs/dbraw/zinc/32/98/21/184329821.db2.gz FANIDQMTDWFNPV-JTQLQIEISA-N 0 0 309.391 0.998 50 0 DCAARN Cc1cc(C)n(-c2ccc(C(=O)N(C)C[C@@H](O)CO)cc2)n1 ZINC000065374569 184331018 /nfs/dbraw/zinc/33/10/18/184331018.db2.gz XAWZQBPIZIWPHH-OAHLLOKOSA-N 0 0 303.362 0.914 50 0 DCAARN Cc1cn(Cc2nnc(CCc3ccccc3)[nH]2)c(=O)[nH]c1=O ZINC000065406909 184338908 /nfs/dbraw/zinc/33/89/08/184338908.db2.gz JCOLZMBFPNTBJJ-UHFFFAOYSA-N 0 0 311.345 0.797 50 0 DCAARN CCc1cnc(C)nc1NC[C@H]1CN(S(C)(=O)=O)CCO1 ZINC000065430253 184343298 /nfs/dbraw/zinc/34/32/98/184343298.db2.gz IXLOPWQFNKDPFU-LBPRGKRZSA-N 0 0 314.411 0.420 50 0 DCAARN CCn1ncc(Cl)c1C(=O)N[C@@H]1C[C@@H](C(=O)OC)N(C)C1 ZINC000065434011 184343872 /nfs/dbraw/zinc/34/38/72/184343872.db2.gz OHIJALUZYNGZDW-SCZZXKLOSA-N 0 0 314.773 0.532 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](NC(=O)NCc2ccccc2F)CN1C ZINC000065433563 184344198 /nfs/dbraw/zinc/34/41/98/184344198.db2.gz KHQPFIRYRPXCDR-YPMHNXCESA-N 0 0 309.341 0.871 50 0 DCAARN CC(=O)N1CCN(C(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000065440755 184345410 /nfs/dbraw/zinc/34/54/10/184345410.db2.gz DHZGROXLGIYYND-CQSZACIVSA-N 0 0 303.362 0.864 50 0 DCAARN C[C@H]1CN(CCNC(=O)NCc2nnc3n2CCC3)C[C@H](C)O1 ZINC000065440785 184345622 /nfs/dbraw/zinc/34/56/22/184345622.db2.gz YOZDIRKLROSUCH-RYUDHWBXSA-N 0 0 322.413 0.133 50 0 DCAARN O=C(NCc1ccc(N2CCCC2)nc1)C1=NNC(=O)CC1 ZINC000065444234 184346114 /nfs/dbraw/zinc/34/61/14/184346114.db2.gz MXKVMTZMLDJXBU-UHFFFAOYSA-N 0 0 301.350 0.564 50 0 DCAARN C[C@H](Cn1ccnc1)NC(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000065449758 184346370 /nfs/dbraw/zinc/34/63/70/184346370.db2.gz BKPOEHPOAYNSKS-CHWSQXEVSA-N 0 0 317.397 0.989 50 0 DCAARN O=C(NCCn1ccnc1)N1CCN(Cc2ccncc2)CC1 ZINC000065451777 184346488 /nfs/dbraw/zinc/34/64/88/184346488.db2.gz LMDQQUHXGVTDLX-UHFFFAOYSA-N 0 0 314.393 0.806 50 0 DCAARN Cc1cccc(OCCCNS(=O)(=O)N2CCOCC2)c1 ZINC000065451837 184346550 /nfs/dbraw/zinc/34/65/50/184346550.db2.gz LLUVMFFLJGDFBL-UHFFFAOYSA-N 0 0 314.407 0.931 50 0 DCAARN CC(C)[C@H](CNC(=O)N[C@@H](C)Cn1ccnc1)N1CCOCC1 ZINC000065399559 184336523 /nfs/dbraw/zinc/33/65/23/184336523.db2.gz RCNJRXSCGTYODO-GJZGRUSLSA-N 0 0 323.441 0.928 50 0 DCAARN CCOc1ncccc1C(=O)NC1CCN(CC(N)=O)CC1 ZINC000065403148 184337323 /nfs/dbraw/zinc/33/73/23/184337323.db2.gz BNYBVGLJUDWSMO-UHFFFAOYSA-N 0 0 306.366 0.160 50 0 DCAARN CC(=O)N1CCC(C(=O)NCCNC(=O)OC(C)(C)C)CC1 ZINC000065405103 184337690 /nfs/dbraw/zinc/33/76/90/184337690.db2.gz ZCKKJIABVDMKCC-UHFFFAOYSA-N 0 0 313.398 0.886 50 0 DCAARN Cc1cccc(-c2noc(CN(C)C(=O)Cn3cnnn3)n2)c1 ZINC000065405391 184338212 /nfs/dbraw/zinc/33/82/12/184338212.db2.gz QJHTWCMAHANNAK-UHFFFAOYSA-N 0 0 313.321 0.690 50 0 DCAARN COC(=O)[C@@H]1C[C@H](NC(=O)c2nc3c(s2)CCCC3)CN1C ZINC000065406944 184338733 /nfs/dbraw/zinc/33/87/33/184338733.db2.gz LBZZNZNGIKDJJQ-ONGXEEELSA-N 0 0 323.418 0.997 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)CN1CCC(=O)NC1CCCCCC1 ZINC000065406431 184338748 /nfs/dbraw/zinc/33/87/48/184338748.db2.gz UCRHKHZGSGNBTK-KGLIPLIRSA-N 0 0 312.410 0.824 50 0 DCAARN Cc1cc(C)c(CNC(=O)N[C@H](C)CN2CCCC2=O)c(=O)[nH]1 ZINC000065534178 184362059 /nfs/dbraw/zinc/36/20/59/184362059.db2.gz ABRFXNXPTFZGHG-GFCCVEGCSA-N 0 0 320.393 0.802 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NC[C@H]1CCOC1 ZINC000065586890 184369637 /nfs/dbraw/zinc/36/96/37/184369637.db2.gz QEKOYGPHBWSDPR-NEPJUHHUSA-N 0 0 319.427 0.136 50 0 DCAARN COCCNC(=O)NC[C@@H](O)COCc1ccc(OC)cc1 ZINC000065608712 184372575 /nfs/dbraw/zinc/37/25/75/184372575.db2.gz FFJXOYOOMSGFAX-CYBMUJFWSA-N 0 0 312.366 0.518 50 0 DCAARN Cc1ncsc1CCC(=O)N1CCN2CCNC(=O)[C@H]2C1 ZINC000065507848 184356903 /nfs/dbraw/zinc/35/69/03/184356903.db2.gz SQVZLYYNJHQFJS-LLVKDONJSA-N 0 0 308.407 0.027 50 0 DCAARN CN1CCC[C@@]2(CCN(C(=O)Cc3nnc(N)s3)C2)C1=O ZINC000067649163 184476341 /nfs/dbraw/zinc/47/63/41/184476341.db2.gz VKNITUCBAJFHCV-ZDUSSCGKSA-N 0 0 309.395 0.134 50 0 DCAARN CC(C)(C)[C@@H](CO)NC(=O)c1cc(CN2CCOCC2)on1 ZINC000067934363 184491101 /nfs/dbraw/zinc/49/11/01/184491101.db2.gz GEDZAFQPXJFYSH-CYBMUJFWSA-N 0 0 311.382 0.644 50 0 DCAARN CCC(C)(C)C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000069414755 184512743 /nfs/dbraw/zinc/51/27/43/184512743.db2.gz GEYFICALQMBIEK-UHFFFAOYSA-N 0 0 322.365 0.413 50 0 DCAARN CC[C@H](C)c1nc(CC(=O)N2CCS(=O)(=O)CC2)no1 ZINC000333151847 252687652 /nfs/dbraw/zinc/68/76/52/252687652.db2.gz GVSZIRFXGZZYOZ-VIFPVBQESA-N 0 0 301.368 0.383 50 0 DCAARN CCN(C[C@H]1CCOC1)C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000048263389 285089979 /nfs/dbraw/zinc/08/99/79/285089979.db2.gz QVPWBVMPJQPYDS-CHWSQXEVSA-N 0 0 318.439 0.686 50 0 DCAARN O=C1NCC[C@@H]1Oc1ccccc1S(=O)(=O)N1CCCC1 ZINC000521397031 257240546 /nfs/dbraw/zinc/24/05/46/257240546.db2.gz LYRVBGLPEKQUOZ-LBPRGKRZSA-N 0 0 310.375 0.738 50 0 DCAARN Cc1n[nH]c(C)c1CCNC(=O)NCC(=O)Nc1nccs1 ZINC000426563045 257246825 /nfs/dbraw/zinc/24/68/25/257246825.db2.gz GBSPRQSNJULASF-UHFFFAOYSA-N 0 0 322.394 0.963 50 0 DCAARN COCCN(Cc1cnn(C)c1)C(=O)NCc1nccn1C ZINC000426530855 257247791 /nfs/dbraw/zinc/24/77/91/257247791.db2.gz OOTRQVYWGPHXMA-UHFFFAOYSA-N 0 0 306.370 0.512 50 0 DCAARN Cc1cc(=O)c(C(=O)NCCCn2ccccc2=O)c(C)[nH]1 ZINC000426526028 257247903 /nfs/dbraw/zinc/24/79/03/257247903.db2.gz JFYPJPFPEXYLNS-UHFFFAOYSA-N 0 0 301.346 0.974 50 0 DCAARN Cc1cc(=O)c(C(=O)N2CCN(C3CCCC3)C(=O)C2)cn1C ZINC000426497230 257248550 /nfs/dbraw/zinc/24/85/50/257248550.db2.gz LNBAGKOEJZEAOL-UHFFFAOYSA-N 0 0 317.389 0.921 50 0 DCAARN Cc1ccc(C(=O)NC[C@@H]2CN(C)C(=O)CO2)n1C(F)F ZINC000426493079 257248617 /nfs/dbraw/zinc/24/86/17/257248617.db2.gz VHMGILRBXJZGBQ-SECBINFHSA-N 0 0 301.293 0.779 50 0 DCAARN O=C(c1ccc2nccnc2c1)N1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1 ZINC000426485712 257249469 /nfs/dbraw/zinc/24/94/69/257249469.db2.gz QPVNRBUQTUFADU-VZAMPYOESA-N 0 0 313.357 0.834 50 0 DCAARN Cc1ccc2nc(C(=O)N[C@@H]3C[NH2+][C@H](C(=O)[O-])C3)c(F)n2c1 ZINC000426465083 257250355 /nfs/dbraw/zinc/25/03/55/257250355.db2.gz DDOGNVAYEKFDJD-IUCAKERBSA-N 0 0 306.297 0.327 50 0 DCAARN CCO[C@H]1COC[C@@H]1NC(=O)Nc1cccc(CC(=O)NC)c1 ZINC000426435013 257250636 /nfs/dbraw/zinc/25/06/36/257250636.db2.gz ULRPYRIZZFGDRN-KBPBESRZSA-N 0 0 321.377 0.901 50 0 DCAARN Cc1ccn2c(nnc2C(=O)NCCSc2c[nH]nn2)n1 ZINC000426412707 257251364 /nfs/dbraw/zinc/25/13/64/257251364.db2.gz NJLOZBKOGCYCOA-UHFFFAOYSA-N 0 0 304.339 0.073 50 0 DCAARN OCCNc1nc(NCCC(F)(F)F)cc([C@H]2CCOC2)n1 ZINC000426389192 257252294 /nfs/dbraw/zinc/25/22/94/257252294.db2.gz BGNULZXSBISICO-VIFPVBQESA-N 0 0 320.315 0.593 50 0 DCAARN Cc1nn(C)c(C(=O)NCCS(=O)(=O)N(C)C)c1Cl ZINC000426362115 257253069 /nfs/dbraw/zinc/25/30/69/257253069.db2.gz YRFPKBRDMNMAEJ-UHFFFAOYSA-N 0 0 308.791 0.003 50 0 DCAARN CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCOc3ccccc32)C1=O ZINC000014076406 257268550 /nfs/dbraw/zinc/26/85/50/257268550.db2.gz VCBOAEZNKDUQCO-SNVBAGLBSA-N 0 0 317.301 0.047 50 0 DCAARN COC(=O)C1(NC(=O)CSCC(N)=O)CCC(C)CC1 ZINC000071821600 184853825 /nfs/dbraw/zinc/85/38/25/184853825.db2.gz KENYVTJACZISQZ-UHFFFAOYSA-N 0 0 302.396 0.443 50 0 DCAARN COC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)C[C@@H](C)O1 ZINC000328586287 533493802 /nfs/dbraw/zinc/49/38/02/533493802.db2.gz QCQGKMNNDRJLCB-DGCLKSJQSA-N 0 0 313.375 0.779 50 0 DCAARN C[C@@H](CCCCNC(=O)c1ccn[nH]1)NC(=O)c1ccn[nH]1 ZINC000408517777 533541540 /nfs/dbraw/zinc/54/15/40/533541540.db2.gz TVKNKLYPRGPAIO-JTQLQIEISA-N 0 0 304.354 0.851 50 0 DCAARN CC(C)CCn1ccc(NC(=O)[C@@H](C)NS(C)(=O)=O)n1 ZINC000122524615 132165575 /nfs/dbraw/zinc/16/55/75/132165575.db2.gz FRZRVMXAQVUTPE-SNVBAGLBSA-N 0 0 302.400 0.805 50 0 DCAARN CCNC(=O)[C@@H](C)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000018704092 285568487 /nfs/dbraw/zinc/56/84/87/285568487.db2.gz QOMRDOZGBRMDLO-UTUOFQBUSA-N 0 0 323.393 0.193 50 0 DCAARN COc1cccc(N2CCN(C(=O)CCNC(C)=O)CC2)c1 ZINC000006787802 134478538 /nfs/dbraw/zinc/47/85/38/134478538.db2.gz FGNXVJQLLVPPFY-UHFFFAOYSA-N 0 0 305.378 0.870 50 0 DCAARN CN1C(=O)COc2ccc(NC(=O)C(=O)NCC3CC3)cc21 ZINC000040266854 134710723 /nfs/dbraw/zinc/71/07/23/134710723.db2.gz PVRXPXJHLJWAKK-UHFFFAOYSA-N 0 0 303.318 0.507 50 0 DCAARN O=C(CN1C(=O)COc2ccccc21)NCCCn1ccnc1 ZINC000008229692 395684265 /nfs/dbraw/zinc/68/42/65/395684265.db2.gz KABJTDCZWHHHJY-UHFFFAOYSA-N 0 0 314.345 0.815 50 0 DCAARN COC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000008277325 395684271 /nfs/dbraw/zinc/68/42/71/395684271.db2.gz FPRFKZFXVDBLPR-SSDOTTSWSA-N 0 0 321.301 0.974 50 0 DCAARN C[C@]1(C2CC2)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O ZINC000008389887 395684567 /nfs/dbraw/zinc/68/45/67/395684567.db2.gz ODGJBOWVYIKMCX-CQSZACIVSA-N 0 0 318.358 0.977 50 0 DCAARN CN(Cc1ccco1)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O ZINC000008734077 395684879 /nfs/dbraw/zinc/68/48/79/395684879.db2.gz IMHDKWBUAJXXEO-UHFFFAOYSA-N 0 0 313.313 0.941 50 0 DCAARN O=c1[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2[nH]c1=O ZINC000008686009 395684968 /nfs/dbraw/zinc/68/49/68/395684968.db2.gz CQGKIWBZJPRYKI-UHFFFAOYSA-N 0 0 309.347 0.391 50 0 DCAARN CC(C)CNC(=O)C(=O)Nc1c(O)[nH]c2ccccc2c1=O ZINC000008995242 395684994 /nfs/dbraw/zinc/68/49/94/395684994.db2.gz XAAOKKIXMKEJEG-UHFFFAOYSA-N 0 0 303.318 0.944 50 0 DCAARN COc1ccc(N2CCn3c2nn(CC(C)=O)c(=O)c3=O)cc1 ZINC000008849281 395685006 /nfs/dbraw/zinc/68/50/06/395685006.db2.gz ATNPSSMEDIYAHG-UHFFFAOYSA-N 0 0 316.317 0.154 50 0 DCAARN Nc1nc(N)nc(SCC(=O)NCc2ccc(F)cc2)n1 ZINC000009591295 395685424 /nfs/dbraw/zinc/68/54/24/395685424.db2.gz KRGHQSAXKPXGBM-UHFFFAOYSA-N 0 0 308.342 0.584 50 0 DCAARN CCOC(=O)C(NC(=O)c1cccnc1OCC)C(=O)OCC ZINC000009725730 395685695 /nfs/dbraw/zinc/68/56/95/395685695.db2.gz FYZJJKOFIOFVSN-UHFFFAOYSA-N 0 0 324.333 0.705 50 0 DCAARN O=S1(=O)N=C(NCc2nnc3ccccn32)c2ccccc21 ZINC000010382821 395686059 /nfs/dbraw/zinc/68/60/59/395686059.db2.gz GZYNNVNQXVYEAI-UHFFFAOYSA-N 0 0 313.342 0.968 50 0 DCAARN C[C@H](O)CN1CC2=C(C1=O)[C@@H](c1ccccc1F)NC(=O)N2 ZINC000011665676 395686712 /nfs/dbraw/zinc/68/67/12/395686712.db2.gz XSMYZHFBRMLSQG-ISVAXAHUSA-N 0 0 305.309 0.657 50 0 DCAARN Cc1ccc(-n2ncc3c2c(=O)n(CC(N)=O)nc3C)cc1C ZINC000012228762 395687230 /nfs/dbraw/zinc/68/72/30/395687230.db2.gz LAEYLMZTMSUGLT-UHFFFAOYSA-N 0 0 311.345 0.993 50 0 DCAARN Cn1nnc2c1ncn(CC(=O)Nc1ccccc1F)c2=O ZINC000012443920 395687586 /nfs/dbraw/zinc/68/75/86/395687586.db2.gz VWSZDVCLLYGZDU-UHFFFAOYSA-N 0 0 302.269 0.303 50 0 DCAARN COCCN1C[C@@H](C(=O)NCc2cnn(C(C)C)c2)CCC1=O ZINC000012713608 395687886 /nfs/dbraw/zinc/68/78/86/395687886.db2.gz TZNAEGYQIHWCAJ-AWEZNQCLSA-N 0 0 322.409 0.965 50 0 DCAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1cncn1 ZINC000012615971 395687908 /nfs/dbraw/zinc/68/79/08/395687908.db2.gz ORFSRIAEPRHMHQ-UHFFFAOYSA-N 0 0 312.333 0.563 50 0 DCAARN CN(C)c1nc(N)nc(CSc2nnc3ccccn32)n1 ZINC000012722575 395688079 /nfs/dbraw/zinc/68/80/79/395688079.db2.gz WGTKFWSEKFPOMK-UHFFFAOYSA-N 0 0 302.367 0.855 50 0 DCAARN CC1CCN(CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)CC1 ZINC000012914154 395688225 /nfs/dbraw/zinc/68/82/25/395688225.db2.gz CGSWQPUSUBIXDM-NSHDSACASA-N 0 0 317.411 0.031 50 0 DCAARN NC(=O)c1ccc(CN(CC(=O)N2CCNC2=O)C2CC2)cc1 ZINC000012977034 395688249 /nfs/dbraw/zinc/68/82/49/395688249.db2.gz NMQMMQYSCGKBDC-UHFFFAOYSA-N 0 0 316.361 0.302 50 0 DCAARN NC(=O)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000012985509 395688261 /nfs/dbraw/zinc/68/82/61/395688261.db2.gz WJNVPTHUKZBECL-ZETCQYMHSA-N 0 0 314.271 0.845 50 0 DCAARN O=C(COC(=O)Cn1cnc2ccccc21)NC[C@@H]1CCCO1 ZINC000012970872 395688265 /nfs/dbraw/zinc/68/82/65/395688265.db2.gz XVJGVGYUGLWVOI-LBPRGKRZSA-N 0 0 317.345 0.875 50 0 DCAARN COC(=O)Cn1ncc(N2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1=O ZINC000013136930 395688409 /nfs/dbraw/zinc/68/84/09/395688409.db2.gz LVYYMEJFLYOROR-DTORHVGOSA-N 0 0 315.757 0.683 50 0 DCAARN COc1ccccc1CN1C(=S)N[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000013630001 395688801 /nfs/dbraw/zinc/68/88/01/395688801.db2.gz HKQLWJGHFWQCBO-QWRGUYRKSA-N 0 0 312.416 0.551 50 0 DCAARN CCNC(=O)[C@@H](C)NC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000014113626 395689122 /nfs/dbraw/zinc/68/91/22/395689122.db2.gz GBSTTXNGXYMTFR-SNVBAGLBSA-N 0 0 307.350 0.066 50 0 DCAARN CN(Cn1c(=S)nc2ncccn21)[C@@H]1CCS(=O)(=O)C1 ZINC000014161912 395689175 /nfs/dbraw/zinc/68/91/75/395689175.db2.gz BIVZCRVUEIFEIP-SECBINFHSA-N 0 0 313.408 0.337 50 0 DCAARN O=c1n2ccccc2nn1CN1CCN(c2ncccn2)CC1 ZINC000014138122 395689224 /nfs/dbraw/zinc/68/92/24/395689224.db2.gz IRVFDYZFMBTNTM-UHFFFAOYSA-N 0 0 311.349 0.066 50 0 DCAARN CNC(=O)CNC(=O)COc1ccc(F)cc1Br ZINC000014239247 395689438 /nfs/dbraw/zinc/68/94/38/395689438.db2.gz SXDNHZYJSFIFTM-UHFFFAOYSA-N 0 0 319.130 0.829 50 0 DCAARN C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(F)c3)CN2C1=O ZINC000014733249 395689581 /nfs/dbraw/zinc/68/95/81/395689581.db2.gz UCRBAFLGOVNIJM-ZHAHWJHGSA-N 0 0 320.324 0.435 50 0 DCAARN CC[C@@H]1NC(=O)[C@H]2CN(Cc3ccccc3OC)CCN2C1=O ZINC000014748156 395689583 /nfs/dbraw/zinc/68/95/83/395689583.db2.gz JCWLOCJIBCYTPU-UONOGXRCSA-N 0 0 317.389 0.616 50 0 DCAARN Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@H]3O)ccc12 ZINC000015206222 395689872 /nfs/dbraw/zinc/68/98/72/395689872.db2.gz CQKHENXHLAUMBH-NISVWCSZSA-N 0 0 322.313 0.308 50 0 DCAARN O=C(NCCCN1CCN(c2ncccn2)CC1)C1CCC1 ZINC000022955917 395692150 /nfs/dbraw/zinc/69/21/50/395692150.db2.gz VFTBNCPMYGEHIV-UHFFFAOYSA-N 0 0 303.410 0.905 50 0 DCAARN Cc1cc(C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)n1 ZINC000024054432 395692693 /nfs/dbraw/zinc/69/26/93/395692693.db2.gz KDJVZGCVRWNSEY-UHFFFAOYSA-N 0 0 319.409 0.074 50 0 DCAARN O=C(NCc1ccnc(N2CCOCC2)c1)c1ccc(=O)[nH]n1 ZINC000025289598 395693349 /nfs/dbraw/zinc/69/33/49/395693349.db2.gz SDOMHJTUBADUMP-UHFFFAOYSA-N 0 0 315.333 0.344 50 0 DCAARN CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000036971 395679697 /nfs/dbraw/zinc/67/96/97/395679697.db2.gz PEEIMZUOKDIVAV-UHFFFAOYSA-N 0 0 320.392 0.079 50 0 DCAARN Cc1cccc(N2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)c1 ZINC000000181377 395679959 /nfs/dbraw/zinc/67/99/59/395679959.db2.gz DGLNANFWPKCMPR-AWEZNQCLSA-N 0 0 315.373 0.824 50 0 DCAARN COc1ccc(NC(=O)[C@@H]2C=C([O-])NC(=[NH2+])S2)c(OC)c1 ZINC000000177080 395679966 /nfs/dbraw/zinc/67/99/66/395679966.db2.gz PSAFJBJHSSQTME-JTQLQIEISA-N 0 0 309.347 0.989 50 0 DCAARN C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000000615172 395680503 /nfs/dbraw/zinc/68/05/03/395680503.db2.gz CKBIMYBSIODKDU-NEPJUHHUSA-N 0 0 312.391 0.649 50 0 DCAARN CC1=C(C(N)=O)[C@@H](c2cccnc2)N2NC(CCCO)=NC2=N1 ZINC000001795297 395681202 /nfs/dbraw/zinc/68/12/02/395681202.db2.gz VHMLZPCNAVUNNS-CYBMUJFWSA-N 0 0 314.349 0.243 50 0 DCAARN C[C@H](CNC(=O)c1cncc(O)c1)NC(=O)c1cncc(O)c1 ZINC000002099979 395681234 /nfs/dbraw/zinc/68/12/34/395681234.db2.gz LMMZHPWDSHTAMF-SECBINFHSA-N 0 0 316.317 0.436 50 0 biogenic DCAARN CCCOC(=O)N[C@H]1[C@H](NC(=O)OCCC)N(C)C(=O)N1C ZINC000002278653 395681400 /nfs/dbraw/zinc/68/14/00/395681400.db2.gz FWSWMSADSURGNY-NXEZZACHSA-N 0 0 316.358 0.908 50 0 DCAARN CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1ccc(F)cc1 ZINC000002499410 395681587 /nfs/dbraw/zinc/68/15/87/395681587.db2.gz XEMYKTUMLKOSGA-LBPRGKRZSA-N 0 0 316.354 0.704 50 0 DCAARN C[C@@H](C(=O)NC(N)=O)N1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000002645851 395681710 /nfs/dbraw/zinc/68/17/10/395681710.db2.gz RHUOAINZKRSBII-RTHLEPHNSA-N 0 0 304.306 0.037 50 0 DCAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCC(F)(F)F ZINC000002631854 395681728 /nfs/dbraw/zinc/68/17/28/395681728.db2.gz JQXMCVQJAQJEPY-UHFFFAOYSA-N 0 0 322.264 0.510 50 0 DCAARN NC(=O)[C@@H]1CCCN(C(=S)NC(=O)/C=C/c2ccco2)C1 ZINC000002747160 395681843 /nfs/dbraw/zinc/68/18/43/395681843.db2.gz QIGMJANIZCOVQK-BRAIEQGRSA-N 0 0 307.375 0.891 50 0 DCAARN CCn1ncc(NC(=O)c2ccc3c(c2)OCO3)c1C(N)=O ZINC000002799241 395681934 /nfs/dbraw/zinc/68/19/34/395681934.db2.gz IMFZGUDMNJQQRC-UHFFFAOYSA-N 0 0 302.290 0.983 50 0 DCAARN CCOC(CNC(=O)NC(=O)c1cccnc1OC)OCC ZINC000003181123 395682234 /nfs/dbraw/zinc/68/22/34/395682234.db2.gz ANWVRRIQZYONAU-UHFFFAOYSA-N 0 0 311.338 0.929 50 0 DCAARN CNC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003230581 395682407 /nfs/dbraw/zinc/68/24/07/395682407.db2.gz IHFYESFSLWHJMK-QPJJXVBHSA-N 0 0 310.375 0.467 50 0 DCAARN O=C(CNC(=O)c1ccco1)OCC(=O)N1CCCCCC1 ZINC000003331001 395682447 /nfs/dbraw/zinc/68/24/47/395682447.db2.gz UIPBTTCCOHYYGX-UHFFFAOYSA-N 0 0 308.334 0.955 50 0 DCAARN COc1ccc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)cc1 ZINC000007888796 395683765 /nfs/dbraw/zinc/68/37/65/395683765.db2.gz ZTJKNNFWCBJBHZ-CYBMUJFWSA-N 0 0 320.345 0.718 50 0 DCAARN CC(=O)NCCNC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000030018375 395701482 /nfs/dbraw/zinc/70/14/82/395701482.db2.gz YBNKUJMIZDCTQL-VXGBXAGGSA-N 0 0 320.393 0.561 50 0 DCAARN CC(=O)Nc1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000036693448 395723739 /nfs/dbraw/zinc/72/37/39/395723739.db2.gz IDQFUIXILMDWBC-UHFFFAOYSA-N 0 0 310.335 0.945 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000031612086 395707178 /nfs/dbraw/zinc/70/71/78/395707178.db2.gz BBCQQEKHJFNFQL-JQWIXIFHSA-N 0 0 315.778 0.947 50 0 DCAARN COC(=O)c1ccc(OCC(=O)N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000031677918 395707658 /nfs/dbraw/zinc/70/76/58/395707658.db2.gz YQWDEPGSZFWIKX-GFCCVEGCSA-N 0 0 320.345 0.576 50 0 DCAARN COCCn1c(=O)c2ccccc2nc1C(=O)NCCCO ZINC000032074497 395708983 /nfs/dbraw/zinc/70/89/83/395708983.db2.gz ZMNCAHNWTXKDBL-UHFFFAOYSA-N 0 0 305.334 0.155 50 0 DCAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCCO)nn1C)C2 ZINC000032124501 395709635 /nfs/dbraw/zinc/70/96/35/395709635.db2.gz NVGXCUDQYZDSKE-UHFFFAOYSA-N 0 0 317.345 0.731 50 0 biogenic DCAARN CC(C)COCCC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000032248515 395709841 /nfs/dbraw/zinc/70/98/41/395709841.db2.gz XCUOUSCKYGLEID-LBPRGKRZSA-N 0 0 306.428 0.589 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)Cc3cccnc3)CCO2)[nH]1 ZINC000089289762 395710014 /nfs/dbraw/zinc/71/00/14/395710014.db2.gz PMCVXTSJQSYTBC-LBPRGKRZSA-N 0 0 301.350 0.905 50 0 DCAARN Cc1nn(C)c2c1nc(NCCCn1cccn1)n(C)c2=O ZINC000032651611 395711893 /nfs/dbraw/zinc/71/18/93/395711893.db2.gz LXASGIQOHLLLIR-UHFFFAOYSA-N 0 0 301.354 0.674 50 0 DCAARN COc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)cc1 ZINC000032689106 395712292 /nfs/dbraw/zinc/71/22/92/395712292.db2.gz HQMBIMOLFAMQQK-UHFFFAOYSA-N 0 0 317.301 0.587 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1cccc(F)c1 ZINC000032715890 395712693 /nfs/dbraw/zinc/71/26/93/395712693.db2.gz OFFURJKNYAILGS-ZDUSSCGKSA-N 0 0 314.382 0.908 50 0 DCAARN CC(=O)CCc1ccc(OC[C@H](O)CN2CCNC(=O)C2)cc1 ZINC000032774686 395713250 /nfs/dbraw/zinc/71/32/50/395713250.db2.gz HNVQYRYQUDDSOF-OAHLLOKOSA-N 0 0 320.389 0.380 50 0 DCAARN COC(=O)c1ccc(C)c(S(=O)(=O)NCCNC(C)=O)c1 ZINC000032770643 395713349 /nfs/dbraw/zinc/71/33/49/395713349.db2.gz AAOYIICDXSLLGB-UHFFFAOYSA-N 0 0 314.363 0.196 50 0 DCAARN Cc1ccc([C@H](CNC(=O)NCCCO)N2CCOCC2)o1 ZINC000089652524 395714022 /nfs/dbraw/zinc/71/40/22/395714022.db2.gz ZJTSIHHGTQXSOM-ZDUSSCGKSA-N 0 0 311.382 0.643 50 0 DCAARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000032857750 395714076 /nfs/dbraw/zinc/71/40/76/395714076.db2.gz QKTYLFCIFJBHLI-OPQQBVKSSA-N 0 0 311.359 0.518 50 0 DCAARN COCCN(CC(=O)NCC(=O)OC)Cc1cccs1 ZINC000032836233 395714107 /nfs/dbraw/zinc/71/41/07/395714107.db2.gz LPCSCWLCBXPTRB-UHFFFAOYSA-N 0 0 300.380 0.486 50 0 DCAARN CC(C)[C@H](NC(N)=O)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000032999651 395715722 /nfs/dbraw/zinc/71/57/22/395715722.db2.gz KNOOGQUYRUVLAV-AWEZNQCLSA-N 0 0 321.377 0.809 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CO)cc1C(N)=O ZINC000036796836 395724453 /nfs/dbraw/zinc/72/44/53/395724453.db2.gz UHLIKYXTZBRDPM-LLVKDONJSA-N 0 0 312.391 0.629 50 0 DCAARN CN1CCN(S(=O)(=O)c2ccc3nc(N)sc3c2)CC1 ZINC000034758500 395717989 /nfs/dbraw/zinc/71/79/89/395717989.db2.gz FPVYYUGSNRVLRF-UHFFFAOYSA-N 0 0 312.420 0.815 50 0 DCAARN CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C ZINC000035358132 395720253 /nfs/dbraw/zinc/72/02/53/395720253.db2.gz TVAUDHQFZINXGJ-UHFFFAOYSA-N 0 0 311.407 0.291 50 0 DCAARN NC(=O)C1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000035377283 395720317 /nfs/dbraw/zinc/72/03/17/395720317.db2.gz NADDPRKISMQDCZ-UHFFFAOYSA-N 0 0 303.318 0.355 50 0 DCAARN O=C(CN1CCN(c2ccc(F)cc2)CC1)N1CCNC1=O ZINC000035325427 395720470 /nfs/dbraw/zinc/72/04/70/395720470.db2.gz HNUGMVMLKKSJOS-UHFFFAOYSA-N 0 0 306.341 0.500 50 0 DCAARN Cc1nccnc1C[NH+]1CCC2(CC1)NC(=O)C[C@@H]2C(=O)[O-] ZINC000091440376 395724758 /nfs/dbraw/zinc/72/47/58/395724758.db2.gz QPCZSLURAUOHPH-LLVKDONJSA-N 0 0 304.350 0.340 50 0 DCAARN Cc1cc(CN2CCN(Cc3ccn(C)c(=O)c3)CC2)on1 ZINC000036391824 395723381 /nfs/dbraw/zinc/72/33/81/395723381.db2.gz PUQKEUYIYMLCSZ-UHFFFAOYSA-N 0 0 302.378 1.000 50 0 DCAARN CC(C)(C)C(=O)NCC(=O)N1CCN(c2ncccn2)CC1 ZINC000028645653 395696257 /nfs/dbraw/zinc/69/62/57/395696257.db2.gz JLIHOHINGPKJFC-UHFFFAOYSA-N 0 0 305.382 0.288 50 0 DCAARN COc1cc(OC)cc([C@@H](NCCC(N)=O)c2nccn2C)c1 ZINC000028692531 395696260 /nfs/dbraw/zinc/69/62/60/395696260.db2.gz FKUMPVJNYNIZPD-OAHLLOKOSA-N 0 0 318.377 0.992 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)C2CCC2)C[C@@H](C)O1 ZINC000029188674 395697088 /nfs/dbraw/zinc/69/70/88/395697088.db2.gz OWKYPKZEPFPEQD-GHMZBOCLSA-N 0 0 304.412 0.342 50 0 DCAARN CNC(=O)C1CCN([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000029165999 395697089 /nfs/dbraw/zinc/69/70/89/395697089.db2.gz WKWZJYBDUCKTMX-VIFPVBQESA-N 0 0 307.402 0.039 50 0 DCAARN CC(C)N1C(=O)N[C@]2(CCN(Cc3noc(C4CC4)n3)C2)C1=O ZINC000084597418 395698143 /nfs/dbraw/zinc/69/81/43/395698143.db2.gz GGUBDCSQPQXFEJ-HNNXBMFYSA-N 0 0 319.365 0.852 50 0 DCAARN COCCNC(=O)Cn1c2ccccc2nc1S(C)(=O)=O ZINC000029591771 395698607 /nfs/dbraw/zinc/69/86/07/395698607.db2.gz GRZUHSONHGMWTL-UHFFFAOYSA-N 0 0 311.363 0.202 50 0 DCAARN NC(=O)C1CCN(Cn2nc(-c3ccccc3)oc2=O)CC1 ZINC000029502331 395698679 /nfs/dbraw/zinc/69/86/79/395698679.db2.gz UZHYZFFSXJRJKA-UHFFFAOYSA-N 0 0 302.334 0.658 50 0 DCAARN CCCCc1noc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000029491128 395698690 /nfs/dbraw/zinc/69/86/90/395698690.db2.gz WKGDBFKKPGNICO-UHFFFAOYSA-N 0 0 318.337 0.208 50 0 DCAARN O=C(CN1CCSC1=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000040553735 395734069 /nfs/dbraw/zinc/73/40/69/395734069.db2.gz CSYKVMYFBVDKNL-NSHDSACASA-N 0 0 321.406 0.730 50 0 DCAARN CC(=O)Nc1ccc(NC(=O)CNC(=O)c2ccnn2C)cc1 ZINC000096192315 395748445 /nfs/dbraw/zinc/74/84/45/395748445.db2.gz OYGDWSYYGWCSPH-UHFFFAOYSA-N 0 0 315.333 0.747 50 0 DCAARN CCn1cc(N2C[C@@H](C(=O)N3CCSCC3)CC2=O)cn1 ZINC000096101462 395744456 /nfs/dbraw/zinc/74/44/56/395744456.db2.gz OWIBZHJZZXAKSI-NSHDSACASA-N 0 0 308.407 0.831 50 0 DCAARN Cc1nc2ccc(F)cc2c(=O)n1CC(=O)Nc1ncc[nH]1 ZINC000096116795 395745607 /nfs/dbraw/zinc/74/56/07/395745607.db2.gz MBEZHTRJMLBPFH-UHFFFAOYSA-N 0 0 301.281 0.628 50 0 DCAARN C[C@]1(O)CCN(C(=O)c2cnc(-c3ccncc3)nc2)C[C@@H]1O ZINC000096133266 395745629 /nfs/dbraw/zinc/74/56/29/395745629.db2.gz SLHPDCCEQXZJFI-BBRMVZONSA-N 0 0 314.345 0.496 50 0 DCAARN CCCCn1nc(CC(N)=O)nc1-c1cnc(C(C)C)[nH]c1=O ZINC000096135939 395745660 /nfs/dbraw/zinc/74/56/60/395745660.db2.gz YEPIJDUFMMJRDJ-UHFFFAOYSA-N 0 0 318.381 0.980 50 0 DCAARN COc1nccnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000096141464 395746303 /nfs/dbraw/zinc/74/63/03/395746303.db2.gz VLZPIZWCLVXJLQ-UHFFFAOYSA-N 0 0 319.409 0.620 50 0 DCAARN COc1cccc(CN(C)C(=O)CN2CCN(CCO)CC2)c1 ZINC000096288992 395752469 /nfs/dbraw/zinc/75/24/69/395752469.db2.gz FMGLDZAMSOUBJY-UHFFFAOYSA-N 0 0 321.421 0.264 50 0 DCAARN CN(C)c1nccc(N2CCN(C(=O)c3cc[nH]n3)CC2)n1 ZINC000096416572 395753240 /nfs/dbraw/zinc/75/32/40/395753240.db2.gz OVHCLTVKVYYZEA-UHFFFAOYSA-N 0 0 301.354 0.228 50 0 DCAARN Cn1cc([C@](C)(O)CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)cn1 ZINC000096437410 395753328 /nfs/dbraw/zinc/75/33/28/395753328.db2.gz BLORXBKFDBNSCX-GOEBONIOSA-N 0 0 319.336 0.887 50 0 DCAARN CC(C)n1cc(S(=O)(=O)N2CC[S@](=O)C(C)(C)C2)cn1 ZINC000096461888 395753860 /nfs/dbraw/zinc/75/38/60/395753860.db2.gz YVBRDYLBUXSGJI-LJQANCHMSA-N 0 0 319.452 0.996 50 0 DCAARN NS(=O)(=O)CCNC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000096495412 395754306 /nfs/dbraw/zinc/75/43/06/395754306.db2.gz CYZLXKXXKJSZIR-UHFFFAOYSA-N 0 0 318.345 0.791 50 0 DCAARN O=C(Cc1ccccn1)N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000097163632 395755304 /nfs/dbraw/zinc/75/53/04/395755304.db2.gz IDJQBSWHHBJKLZ-UHFFFAOYSA-N 0 0 323.360 0.639 50 0 DCAARN Cc1ccccc1CNC(=O)CN1CC[NH2+]C[C@@H](C(=O)[O-])C1 ZINC000097243806 395756415 /nfs/dbraw/zinc/75/64/15/395756415.db2.gz DAZLUTTWMAFWKA-CQSZACIVSA-N 0 0 305.378 0.217 50 0 DCAARN Cc1cnc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)cn1 ZINC000097574927 395759384 /nfs/dbraw/zinc/75/93/84/395759384.db2.gz BLYWNBFIAUSPKS-UHFFFAOYSA-N 0 0 305.382 0.795 50 0 DCAARN CC(=O)N1CCN(Cc2nc(-c3ccncc3)no2)C[C@H](O)C1 ZINC000097674096 395759742 /nfs/dbraw/zinc/75/97/42/395759742.db2.gz KSJQPROPFJXYKA-ZDUSSCGKSA-N 0 0 317.349 0.157 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)Nc1nnc(-c2ccco2)s1 ZINC000097915164 395761085 /nfs/dbraw/zinc/76/10/85/395761085.db2.gz DUZCNYFSFMKABU-YFKPBYRVSA-N 0 0 307.291 0.335 50 0 DCAARN Cn1c(=O)cc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)n(C)c1=O ZINC000097822923 395761092 /nfs/dbraw/zinc/76/10/92/395761092.db2.gz UGOZCDPGEOITHN-BKUVIOGVSA-N 0 0 303.362 0.202 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H]1CCOc2ccccc21 ZINC000097922868 395761104 /nfs/dbraw/zinc/76/11/04/395761104.db2.gz CBXPBIIOUKOUCP-QWRGUYRKSA-N 0 0 303.318 0.615 50 0 DCAARN C[C@@H](C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)n1cccn1 ZINC000098010374 395761293 /nfs/dbraw/zinc/76/12/93/395761293.db2.gz NBYHPNZIIRFCFB-CMPLNLGQSA-N 0 0 302.338 0.099 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)NCc1cc2c(s1)CCC2 ZINC000097985734 395761318 /nfs/dbraw/zinc/76/13/18/395761318.db2.gz BRRLYUNWYTZQHH-SNVBAGLBSA-N 0 0 307.375 0.841 50 0 DCAARN COC(=O)c1nnn(CC(=O)c2ccc(F)cc2)c1C(=O)OC ZINC000098211151 395762325 /nfs/dbraw/zinc/76/23/25/395762325.db2.gz FFIREINYQKOBRZ-UHFFFAOYSA-N 0 0 321.264 0.873 50 0 DCAARN Cc1nc(CS(=O)(=O)CC(=O)N2CCc3ccccc32)no1 ZINC000046159207 395771614 /nfs/dbraw/zinc/77/16/14/395771614.db2.gz AQCMOBZAXXSSRY-UHFFFAOYSA-N 0 0 321.358 0.882 50 0 DCAARN CN1C[C@H](C(=O)N2CCN(CCc3ccccc3)CC2)CC1=O ZINC000046181343 395772909 /nfs/dbraw/zinc/77/29/09/395772909.db2.gz ZJNVRIRSWBRUGE-MRXNPFEDSA-N 0 0 315.417 0.852 50 0 DCAARN Cc1cc(CN2CCN(C(=O)Cn3ccccc3=O)CC2)on1 ZINC000048229982 395810755 /nfs/dbraw/zinc/81/07/55/395810755.db2.gz SJTRULKAPJVZLR-UHFFFAOYSA-N 0 0 316.361 0.489 50 0 DCAARN O=C(NCCOc1ccc2c(c1)OCO2)N1CCC(O)CC1 ZINC000048249103 395811671 /nfs/dbraw/zinc/81/16/71/395811671.db2.gz FNKPMYTWWHIQQV-UHFFFAOYSA-N 0 0 308.334 0.960 50 0 DCAARN Cn1cc(CCNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cn1 ZINC000048265276 395811681 /nfs/dbraw/zinc/81/16/81/395811681.db2.gz NEGQLBIIYRJRNS-LSDHHAIUSA-N 0 0 300.362 0.920 50 0 DCAARN O=C(NCCc1ccccc1F)N[C@H]1CCS(=O)(=O)C1 ZINC000048276326 395812219 /nfs/dbraw/zinc/81/22/19/395812219.db2.gz BCGJQDPAAYKVEO-NSHDSACASA-N 0 0 300.355 0.855 50 0 DCAARN CC(=O)NCCNC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000048275254 395812426 /nfs/dbraw/zinc/81/24/26/395812426.db2.gz WLRRVLLEKZEREV-SNVBAGLBSA-N 0 0 307.350 0.954 50 0 DCAARN CN(C)c1ncccc1CNC(=O)NCc1nnc2n1CCC2 ZINC000048372604 395814113 /nfs/dbraw/zinc/81/41/13/395814113.db2.gz KLAOOYQSVZLGKV-UHFFFAOYSA-N 0 0 315.381 0.685 50 0 DCAARN CS(=O)(=O)N1CCC(CNC(=O)NC[C@@H]2CCCO2)CC1 ZINC000225554068 395861424 /nfs/dbraw/zinc/86/14/24/395861424.db2.gz WGXYEMZXUBAZOO-LBPRGKRZSA-N 0 0 319.427 0.136 50 0 DCAARN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCOCC1 ZINC000048666926 395821765 /nfs/dbraw/zinc/82/17/65/395821765.db2.gz ZLJCYPMIHNVUFR-SECBINFHSA-N 0 0 304.393 0.274 50 0 DCAARN C[C@@H]1CCCCN1S(=O)(=O)N1CCC(CC(N)=O)CC1 ZINC000048670958 395821971 /nfs/dbraw/zinc/82/19/71/395821971.db2.gz KAIHTUXQCWXJTB-LLVKDONJSA-N 0 0 303.428 0.693 50 0 DCAARN CC(C)CS(=O)(=O)CC(=O)N1CCC(CC(N)=O)CC1 ZINC000049393800 395832089 /nfs/dbraw/zinc/83/20/89/395832089.db2.gz IVAXJWGFLIPCBV-UHFFFAOYSA-N 0 0 304.412 0.171 50 0 DCAARN Cc1cc(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)c(N)n1 ZINC000049410986 395832091 /nfs/dbraw/zinc/83/20/91/395832091.db2.gz VAHTWUNOABXENP-UHFFFAOYSA-N 0 0 316.317 0.179 50 0 DCAARN O=C(c1cnn2c1OCCC2)N1CC[C@H](Oc2cccnn2)C1 ZINC000225417121 395859743 /nfs/dbraw/zinc/85/97/43/395859743.db2.gz HTHZFAINNMEYFE-NSHDSACASA-N 0 0 315.333 0.749 50 0 DCAARN Nc1cnn(CC(=O)NC[C@@H]2CCCN(c3ccccn3)C2)c1 ZINC000218933090 395843540 /nfs/dbraw/zinc/84/35/40/395843540.db2.gz QGTPDWOARGRGPQ-ZDUSSCGKSA-N 0 0 314.393 0.893 50 0 DCAARN COCc1nc([C@H]2C[C@@H](NC(=O)c3nccn3C)C2)cc(=O)[nH]1 ZINC000219706743 395846093 /nfs/dbraw/zinc/84/60/93/395846093.db2.gz UPBOCUBHARVJAS-MGCOHNPYSA-N 0 0 317.349 0.326 50 0 DCAARN O=C(CCn1cncn1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 ZINC000219610355 395846214 /nfs/dbraw/zinc/84/62/14/395846214.db2.gz AHYRQARBSGFNKP-CHWSQXEVSA-N 0 0 317.349 0.416 50 0 DCAARN Cn1cc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)ccc1=O ZINC000219853033 395846469 /nfs/dbraw/zinc/84/64/69/395846469.db2.gz MAUAXZNSHTXNKA-GJZGRUSLSA-N 0 0 320.389 0.947 50 0 DCAARN CSCc1noc(CNC(=O)[C@@H](N)c2c(C)n[nH]c2C)n1 ZINC000219935294 395847117 /nfs/dbraw/zinc/84/71/17/395847117.db2.gz FHKASGZHQJGKMW-NSHDSACASA-N 0 0 310.383 0.589 50 0 DCAARN Cc1cn(CC(=O)N(C)CCC[C@@H]2CCCO2)c(=O)[nH]c1=O ZINC000220058625 395847769 /nfs/dbraw/zinc/84/77/69/395847769.db2.gz VTUSBKVPRLNVFB-GFCCVEGCSA-N 0 0 309.366 0.263 50 0 DCAARN C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCN1CCOCC1)C2 ZINC000220244780 395848103 /nfs/dbraw/zinc/84/81/03/395848103.db2.gz GDSLNBIQCBCZSO-CYBMUJFWSA-N 0 0 322.409 0.391 50 0 DCAARN CCO[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1O ZINC000220385625 395848662 /nfs/dbraw/zinc/84/86/62/395848662.db2.gz RPUFKCKXCXSUSJ-RYUDHWBXSA-N 0 0 303.318 0.145 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cnc[nH]1 ZINC000220546497 395849055 /nfs/dbraw/zinc/84/90/55/395849055.db2.gz NJNIFBAAXWPKAD-ZYHUDNBSSA-N 0 0 308.363 0.970 50 0 DCAARN CC(C)S(=O)(=O)N1CC[C@@H](Oc2ccc(N(C)C)nn2)C1 ZINC000225450439 395860927 /nfs/dbraw/zinc/86/09/27/395860927.db2.gz FZTQDLLTHGKQBD-LLVKDONJSA-N 0 0 314.411 0.734 50 0 DCAARN O=C(CNC(=O)COCCOc1ccccc1)Nc1cn[nH]c1 ZINC000051413598 395849960 /nfs/dbraw/zinc/84/99/60/395849960.db2.gz KYZBFUIUTHGSIY-UHFFFAOYSA-N 0 0 318.333 0.560 50 0 DCAARN COCCCn1cnnc1CNC(=O)[C@@H](O)c1ccc(F)cc1 ZINC000221445228 395851402 /nfs/dbraw/zinc/85/14/02/395851402.db2.gz GCTSRWVJXFKEIL-AWEZNQCLSA-N 0 0 322.340 0.804 50 0 DCAARN CSc1ncccc1C(=O)NCCSc1nnnn1C ZINC000223096068 395854182 /nfs/dbraw/zinc/85/41/82/395854182.db2.gz KVKMIBCBIMENLW-UHFFFAOYSA-N 0 0 310.408 0.849 50 0 DCAARN O=C(Cc1ccc(-n2cnnn2)cc1)NCCCn1ccnc1 ZINC000047439885 395792371 /nfs/dbraw/zinc/79/23/71/395792371.db2.gz IPHDOMLODYOJER-UHFFFAOYSA-N 0 0 311.349 0.608 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)N1CCOC[C@]12CCOC2 ZINC000194421913 395796655 /nfs/dbraw/zinc/79/66/55/395796655.db2.gz AXCFLNQMYAPQTE-MRXNPFEDSA-N 0 0 307.394 0.987 50 0 DCAARN NC(=O)CN1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 ZINC000047616166 395797696 /nfs/dbraw/zinc/79/76/96/395797696.db2.gz VYRBFESESQMPQF-UHFFFAOYSA-N 0 0 313.361 0.115 50 0 DCAARN CC[C@@H]1CCCCN1C(=O)CS(=O)(=O)c1nncn1C ZINC000047623026 395797736 /nfs/dbraw/zinc/79/77/36/395797736.db2.gz FQGWPQVXNLFIRL-SNVBAGLBSA-N 0 0 300.384 0.380 50 0 DCAARN CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1 ZINC000047671524 395799145 /nfs/dbraw/zinc/79/91/45/395799145.db2.gz MTTSQMPLJUEIAP-SNVBAGLBSA-N 0 0 304.393 0.279 50 0 DCAARN O=C([C@H](c1ccccc1)N1CCNC(=O)CC1)N1CCOCC1 ZINC000054258539 395896033 /nfs/dbraw/zinc/89/60/33/395896033.db2.gz BATCVMHHXURODR-INIZCTEOSA-N 0 0 317.389 0.408 50 0 DCAARN CS(=O)(=O)CCN1C(=O)NC2(Cc3ccccc3C2)C1=O ZINC000054920095 395908161 /nfs/dbraw/zinc/90/81/61/395908161.db2.gz VUYCZMDMTQCDEK-UHFFFAOYSA-N 0 0 308.359 0.120 50 0 DCAARN CCN(CC)S(=O)(=O)N1CCN(C[C@H]2CCCCO2)CC1 ZINC000054993070 395909129 /nfs/dbraw/zinc/90/91/29/395909129.db2.gz UGZPXOIGVCNMRT-CQSZACIVSA-N 0 0 319.471 0.760 50 0 DCAARN C[N@@H+]1C[C@@H](NC(=O)Cn2ccc3ccccc32)C[C@H]1C(=O)[O-] ZINC000244778760 395925464 /nfs/dbraw/zinc/92/54/64/395925464.db2.gz PVYPTZUUGJRZGC-JSGCOSHPSA-N 0 0 301.346 0.915 50 0 DCAARN Cc1nc(CC(=O)NCCSc2nnnn2C)c(C)s1 ZINC000244899326 395926199 /nfs/dbraw/zinc/92/61/99/395926199.db2.gz ZHXFYJISNNAFNW-UHFFFAOYSA-N 0 0 312.424 0.734 50 0 DCAARN O=C(N[C@H]1CCSC1=O)c1cc(N2CCOCC2)ncn1 ZINC000244986054 395926558 /nfs/dbraw/zinc/92/65/58/395926558.db2.gz JDMTYQDIEHJGEN-VIFPVBQESA-N 0 0 308.363 0.075 50 0 DCAARN CC(C)(C)C(=O)N1CCC(Nc2ccc3nnnn3n2)CC1 ZINC000052218433 395861628 /nfs/dbraw/zinc/86/16/28/395861628.db2.gz MLXXJSVXWUUAKP-UHFFFAOYSA-N 0 0 303.370 0.968 50 0 DCAARN O=C(c1ccc2nsnc2c1)N1CC(N2C(=O)COC2=O)C1 ZINC000225695978 395862224 /nfs/dbraw/zinc/86/22/24/395862224.db2.gz HIRMZAURCMZIKK-UHFFFAOYSA-N 0 0 318.314 0.495 50 0 DCAARN Cc1cc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)sc1C ZINC000271391302 395863229 /nfs/dbraw/zinc/86/32/29/395863229.db2.gz VRAKNNABDVKSHK-LLVKDONJSA-N 0 0 304.437 0.974 50 0 DCAARN O=C(Cc1cccnc1)NCc1nc(-c2cc[nH]c(=O)c2)no1 ZINC000225802327 395863566 /nfs/dbraw/zinc/86/35/66/395863566.db2.gz VSVTWCQCVMNNHE-UHFFFAOYSA-N 0 0 311.301 0.679 50 0 DCAARN O=C(NCCn1c(=O)nc2[nH]cccc-2c1=O)c1ccoc1 ZINC000225795500 395863703 /nfs/dbraw/zinc/86/37/03/395863703.db2.gz NVPZEXDXLYOOIL-UHFFFAOYSA-N 0 0 300.274 0.108 50 0 DCAARN CCS[C@@H]1CC[C@H](N(C)C(=O)C(=O)Nc2ncnn2C)C1 ZINC000225854999 395864461 /nfs/dbraw/zinc/86/44/61/395864461.db2.gz MHMKRBVKGBOBQE-VHSXEESVSA-N 0 0 311.411 0.886 50 0 DCAARN O=C(NCCNC(=O)N1CCC[C@H](O)C1)c1ccccc1F ZINC000052562716 395865589 /nfs/dbraw/zinc/86/55/89/395865589.db2.gz VIZGBFILRAVFHT-NSHDSACASA-N 0 0 309.341 0.722 50 0 DCAARN CNC(=O)CCNC(=O)[C@@]1(C)CC(c2ccccc2OC)=NO1 ZINC000226746354 395866906 /nfs/dbraw/zinc/86/69/06/395866906.db2.gz XFCHDUYGRXPMLR-MRXNPFEDSA-N 0 0 319.361 0.831 50 0 DCAARN O=C(CN1CCNC(=O)C[C@H]1c1ccccc1)N1CCNC1=O ZINC000052834495 395870935 /nfs/dbraw/zinc/87/09/35/395870935.db2.gz RRXWILSGKRXUDY-ZDUSSCGKSA-N 0 0 316.361 0.101 50 0 DCAARN CCCC(=O)N1CCN(Cc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000052863912 395871782 /nfs/dbraw/zinc/87/17/82/395871782.db2.gz XZRPKXRFLWPJKH-UHFFFAOYSA-N 0 0 318.381 0.101 50 0 DCAARN C[C@H](C(=O)NCc1ccco1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000229534535 395874569 /nfs/dbraw/zinc/87/45/69/395874569.db2.gz FVURICPGMCLSMQ-UKRRQHHQSA-N 0 0 318.377 0.882 50 0 DCAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCO[C@@H]3CCC[C@H]32)C1=O ZINC000230173903 395878808 /nfs/dbraw/zinc/87/88/08/395878808.db2.gz WDRKNYQGSFSMCR-XHBSWPGZSA-N 0 0 321.377 0.487 50 0 DCAARN CC[C@H](C)[C@H](CO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000230202771 395879469 /nfs/dbraw/zinc/87/94/69/395879469.db2.gz IDBVGXPJOLAWAL-GWCFXTLKSA-N 0 0 319.361 0.213 50 0 biogenic DCAARN O=C(CN1CCCCCC1=O)NCCCn1ccccc1=O ZINC000057589281 395945526 /nfs/dbraw/zinc/94/55/26/395945526.db2.gz ULTGPASJRFMGLT-UHFFFAOYSA-N 0 0 305.378 0.757 50 0 DCAARN NC(=O)[C@H](CNC(=O)c1cccc[n+]1[O-])Cc1ccc(F)cc1 ZINC000066051451 396000709 /nfs/dbraw/zinc/00/07/09/396000709.db2.gz HTJJSUVIGWDICW-LBPRGKRZSA-N 0 0 317.320 0.533 50 0 DCAARN COCCCNS(=O)(=O)c1cc2n(c1)CCCN(C)C2=O ZINC000065258725 395991602 /nfs/dbraw/zinc/99/16/02/395991602.db2.gz ILHJUDHCTDCTGY-UHFFFAOYSA-N 0 0 315.395 0.279 50 0 DCAARN Cc1cc(N2CCN(C(=O)c3ccco3)CC2)nc2nncn21 ZINC000065311718 395992115 /nfs/dbraw/zinc/99/21/15/395992115.db2.gz QWDRDGUIVAWYSS-UHFFFAOYSA-N 0 0 312.333 0.988 50 0 DCAARN CCc1cc(=O)n(CCN2CCOCC2)c(N2CCCC2)n1 ZINC000065307495 395992313 /nfs/dbraw/zinc/99/23/13/395992313.db2.gz MPUGZNGWKYNFBX-UHFFFAOYSA-N 0 0 306.410 0.738 50 0 DCAARN CC(=O)N1CCC(C(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)CC1 ZINC000252511080 396022212 /nfs/dbraw/zinc/02/22/12/396022212.db2.gz ZTIODKNBKIEAJC-KFWWJZLASA-N 0 0 310.394 0.698 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)N2CC[C@@]3(CCOC3)C2)c1 ZINC000153237669 396022319 /nfs/dbraw/zinc/02/23/19/396022319.db2.gz BUFOZRCZWMIUIJ-OAHLLOKOSA-N 0 0 324.402 0.847 50 0 DCAARN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2C(=O)c2ccnn2C)O1 ZINC000252508613 396022380 /nfs/dbraw/zinc/02/23/80/396022380.db2.gz XPWQFYDZPXZYHD-JHEVNIALSA-N 0 0 307.350 0.744 50 0 DCAARN O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nc[nH]n1 ZINC000252536714 396022686 /nfs/dbraw/zinc/02/26/86/396022686.db2.gz JFZCQPSBIBIOBC-SNVBAGLBSA-N 0 0 314.305 0.458 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)c2cocn2)C[C@H]1COc1ccccc1 ZINC000253405019 396027363 /nfs/dbraw/zinc/02/73/63/396027363.db2.gz IBSAURNPIWYSPR-WCQYABFASA-N 0 0 315.329 0.927 50 0 DCAARN Cn1nc(-c2cnccn2)cc1CNC(=O)N1CCNC1=O ZINC000253471219 396028644 /nfs/dbraw/zinc/02/86/44/396028644.db2.gz BNPQUWMTEQRTCQ-UHFFFAOYSA-N 0 0 301.310 0.112 50 0 DCAARN CCOC(=O)C1(C(=O)N[C@H]2CN(c3ccccc3)C2=O)CC1 ZINC000253432362 396028749 /nfs/dbraw/zinc/02/87/49/396028749.db2.gz ZPZWCZRTXWWTMW-LBPRGKRZSA-N 0 0 302.330 0.861 50 0 DCAARN CCc1nnc(CN2CC(S(=O)(=O)NC3CCCC3)C2)o1 ZINC000253428591 396028971 /nfs/dbraw/zinc/02/89/71/396028971.db2.gz DRJWGIXBSDXQEH-UHFFFAOYSA-N 0 0 314.411 0.678 50 0 DCAARN CCCN(C(=O)c1ccc(C)[nH]c1=O)[C@@H]1CC(=O)N(C)C1=O ZINC000253535076 396029565 /nfs/dbraw/zinc/02/95/65/396029565.db2.gz GQEDBMUVPVXNEC-LLVKDONJSA-N 0 0 305.334 0.705 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)N1CC[C@H](c2ncon2)C1 ZINC000253472679 396029612 /nfs/dbraw/zinc/02/96/12/396029612.db2.gz OLMNSNHXNSBGEK-JTQLQIEISA-N 0 0 314.301 0.994 50 0 DCAARN CC(C)C(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 ZINC000067629846 396029814 /nfs/dbraw/zinc/02/98/14/396029814.db2.gz GUDZQKXEOQEQQF-UHFFFAOYSA-N 0 0 300.366 0.967 50 0 DCAARN C[N@@H+]1CCN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@H]1C(=O)[O-] ZINC000067726656 396032003 /nfs/dbraw/zinc/03/20/03/396032003.db2.gz QZDFUEOEUBRTCR-ZDUSSCGKSA-N 0 0 314.345 0.918 50 0 DCAARN CCc1nc(CNC(=O)Cc2cnc3ccccn23)cc(=O)[nH]1 ZINC000067742009 396032456 /nfs/dbraw/zinc/03/24/56/396032456.db2.gz DFCNLFUPOWHMGJ-UHFFFAOYSA-N 0 0 311.345 0.839 50 0 DCAARN NC(=O)c1cnc2n1CCN(C(=O)Cc1[nH]nc3ccccc31)C2 ZINC000067783653 396034146 /nfs/dbraw/zinc/03/41/46/396034146.db2.gz MUQGLVZTUSMKGU-UHFFFAOYSA-N 0 0 324.344 0.443 50 0 DCAARN COc1cccc(OCc2cc(C(=O)NC[C@@H](O)CO)[nH]n2)c1 ZINC000067805334 396034391 /nfs/dbraw/zinc/03/43/91/396034391.db2.gz JGVSSTWEODHLBV-LLVKDONJSA-N 0 0 321.333 0.080 50 0 DCAARN COC[C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@H]1C(N)=O ZINC000257185631 396034369 /nfs/dbraw/zinc/03/43/69/396034369.db2.gz JRYRANCRVYXAQN-GXFFZTMASA-N 0 0 310.325 0.411 50 0 DCAARN O=S(=O)(NCC[C@H]1CN(Cc2ccco2)CCO1)C1CC1 ZINC000067817199 396034634 /nfs/dbraw/zinc/03/46/34/396034634.db2.gz LUSNGJPOKURKJR-ZDUSSCGKSA-N 0 0 314.407 0.952 50 0 DCAARN O=C(Cn1nnc2ccccc2c1=O)NCc1[nH]nc2c1CCC2 ZINC000067820655 396034851 /nfs/dbraw/zinc/03/48/51/396034851.db2.gz MVENNYACUUTGMN-UHFFFAOYSA-N 0 0 324.344 0.320 50 0 DCAARN O=C(CCc1ccc(=O)[nH]n1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000067880773 396037723 /nfs/dbraw/zinc/03/77/23/396037723.db2.gz QZTSLIBZEZRYML-NSHDSACASA-N 0 0 301.350 0.832 50 0 DCAARN CC(C)c1nc(CNC(=O)c2ccc(N3CC(O)C3)nc2)no1 ZINC000067894803 396038022 /nfs/dbraw/zinc/03/80/22/396038022.db2.gz XIERRSMJCIUVBX-UHFFFAOYSA-N 0 0 317.349 0.699 50 0 DCAARN CC1=C(C(=O)NCCCOc2cccnc2)[C@@H](C)NC(=O)N1 ZINC000067921484 396038978 /nfs/dbraw/zinc/03/89/78/396038978.db2.gz NCNCFYKYBRSONH-SNVBAGLBSA-N 0 0 304.350 0.942 50 0 DCAARN Cc1cc(=O)[nH]c(CCNC(=O)Cc2ccc3c(c2)OCO3)n1 ZINC000067973730 396041411 /nfs/dbraw/zinc/04/14/11/396041411.db2.gz GXASQLLUJSKYHN-UHFFFAOYSA-N 0 0 315.329 0.708 50 0 DCAARN CS(=O)(=O)NCCCN1CCN(c2ccc(O)cc2)CC1 ZINC000066411096 396007165 /nfs/dbraw/zinc/00/71/65/396007165.db2.gz YOWHBQUCUNNNDI-UHFFFAOYSA-N 0 0 313.423 0.454 50 0 DCAARN Cc1csc(NC(=O)[C@@H](C)N2Cc3cnn(CCO)c3C2)n1 ZINC000252495498 396021704 /nfs/dbraw/zinc/02/17/04/396021704.db2.gz ORVKOBOIIFPGMN-SNVBAGLBSA-N 0 0 321.406 0.983 50 0 DCAARN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)Nc1nncs1 ZINC000069739188 396088678 /nfs/dbraw/zinc/08/86/78/396088678.db2.gz FYYCPKCXPOCQLP-NWDGAFQWSA-N 0 0 323.422 0.952 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)c2ccccc2OC)CC1 ZINC000069739937 396088813 /nfs/dbraw/zinc/08/88/13/396088813.db2.gz JWPSKYUVWXRBII-CQSZACIVSA-N 0 0 322.405 0.850 50 0 DCAARN COc1ccnc(N2CCN(c3cn[nH]c(=O)c3Cl)CC2)n1 ZINC000069742238 396089193 /nfs/dbraw/zinc/08/91/93/396089193.db2.gz IECOENFXDQXQGA-UHFFFAOYSA-N 0 0 322.756 0.549 50 0 DCAARN CN(C)c1nccnc1O[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000169756440 396091226 /nfs/dbraw/zinc/09/12/26/396091226.db2.gz CDGXQAYDALFHDR-JTQLQIEISA-N 0 0 302.338 0.559 50 0 DCAARN COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 ZINC000169750217 396091263 /nfs/dbraw/zinc/09/12/63/396091263.db2.gz INIQWMFMNIVLNT-UHFFFAOYSA-N 0 0 321.377 0.800 50 0 DCAARN Cc1cccc(C(=O)N2CCN([C@H]3CCN(C)C3=O)CC2)c1 ZINC000169757031 396091291 /nfs/dbraw/zinc/09/12/91/396091291.db2.gz PQGBLDMATMXRAX-HNNXBMFYSA-N 0 0 301.390 0.984 50 0 DCAARN O=C(N[C@H]1CCc2n[nH]c(=O)n2CC1)c1cc(C2CC2)n[nH]1 ZINC000169783451 396091985 /nfs/dbraw/zinc/09/19/85/396091985.db2.gz YXCWTFCBWBNOOL-VIFPVBQESA-N 0 0 302.338 0.307 50 0 DCAARN Cc1n[nH]c(C)c1CNC(=O)[C@@H]1Cn2cccc2C(=O)N1C ZINC000169784973 396092607 /nfs/dbraw/zinc/09/26/07/396092607.db2.gz OSQSEYAAOYIVCC-ZDUSSCGKSA-N 0 0 301.350 0.599 50 0 DCAARN COc1cccc(CCC(=O)N2CCc3n[nH]c(=O)n3CC2)c1 ZINC000169783727 396092677 /nfs/dbraw/zinc/09/26/77/396092677.db2.gz MYCWJNCLKUSATB-UHFFFAOYSA-N 0 0 316.361 0.598 50 0 DCAARN NC(=O)c1cc[nH]c1[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000169789316 396093321 /nfs/dbraw/zinc/09/33/21/396093321.db2.gz BQWXJDWREGWYPV-VIFPVBQESA-N 0 0 323.378 0.405 50 0 DCAARN COC(=O)[C@@H]1CC[C@@H](C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)O1 ZINC000170604936 396095268 /nfs/dbraw/zinc/09/52/68/396095268.db2.gz FTNZRNFXYJVXMQ-AVGNSLFASA-N 0 0 323.349 0.721 50 0 DCAARN CC(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](C)O ZINC000170624212 396095883 /nfs/dbraw/zinc/09/58/83/396095883.db2.gz QWGPXALLLFHITB-SECBINFHSA-N 0 0 309.370 0.262 50 0 DCAARN C[C@@H]1CS(=O)(=O)CCN1C(=O)CSCc1ccccn1 ZINC000170635406 396096325 /nfs/dbraw/zinc/09/63/25/396096325.db2.gz ARVRJIYHCAOSLN-LLVKDONJSA-N 0 0 314.432 0.960 50 0 DCAARN Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1CCC(=O)N1)CC2 ZINC000170653713 396096934 /nfs/dbraw/zinc/09/69/34/396096934.db2.gz YGRPITVKAGXKOM-LBPRGKRZSA-N 0 0 301.346 0.279 50 0 DCAARN Cc1nc(CN2CCN(S(=O)(=O)CCC(C)C)CC2)no1 ZINC000070003882 396097246 /nfs/dbraw/zinc/09/72/46/396097246.db2.gz CNCBAMKNLPQSGI-UHFFFAOYSA-N 0 0 316.427 0.872 50 0 DCAARN CCS(=O)(=O)NCCNC(=O)c1cc2c(s1)CCOC2 ZINC000171172457 396108937 /nfs/dbraw/zinc/10/89/37/396108937.db2.gz MGVPSUUAUYOUKG-UHFFFAOYSA-N 0 0 318.420 0.490 50 0 DCAARN C[C@@H](NC(=O)Cc1c[nH]c(=O)n(C)c1=O)c1ccc(O)c(F)c1 ZINC000071479699 396114078 /nfs/dbraw/zinc/11/40/78/396114078.db2.gz IYSPBEORSMNXNF-MRVPVSSYSA-N 0 0 321.308 0.338 50 0 DCAARN CCCCn1c(N)c(N(C)Cc2nc(C)no2)c(=O)[nH]c1=O ZINC000071794675 396115155 /nfs/dbraw/zinc/11/51/55/396115155.db2.gz KZZCBEFMBNOYAX-UHFFFAOYSA-N 0 0 308.342 0.247 50 0 DCAARN CCOc1cccc(C(=O)NCCC(=O)N2CCN(C)CC2)c1 ZINC000071821548 396115928 /nfs/dbraw/zinc/11/59/28/396115928.db2.gz YXVHRHFWWUIPGT-UHFFFAOYSA-N 0 0 319.405 0.979 50 0 DCAARN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CC[C@@H](C(N)=O)C1 ZINC000071815210 396116370 /nfs/dbraw/zinc/11/63/70/396116370.db2.gz QQWBVNWHCZAOET-LLVKDONJSA-N 0 0 301.350 0.602 50 0 DCAARN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cnc2n(c1=O)CCS2 ZINC000071830209 396116825 /nfs/dbraw/zinc/11/68/25/396116825.db2.gz RDXCSXDXKKSYLL-BDAKNGLRSA-N 0 0 322.390 0.075 50 0 DCAARN NC(=O)[C@@H]1CCN(CCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000071824751 396117227 /nfs/dbraw/zinc/11/72/27/396117227.db2.gz FVJLOELOVNTCCP-LLVKDONJSA-N 0 0 314.382 0.797 50 0 DCAARN Cn1ccnc1CN1CCCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000071851875 396118617 /nfs/dbraw/zinc/11/86/17/396118617.db2.gz KKMCBYPAQXWLOD-UHFFFAOYSA-N 0 0 315.377 0.457 50 0 DCAARN O=C(c1ccccc1-n1cnnn1)N1CCC[C@@H](n2cncn2)C1 ZINC000071847051 396118851 /nfs/dbraw/zinc/11/88/51/396118851.db2.gz PRWRTHDSPXOOQF-GFCCVEGCSA-N 0 0 324.348 0.731 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 ZINC000071871129 396120413 /nfs/dbraw/zinc/12/04/13/396120413.db2.gz BDNCYNHHXXNMBL-CYBMUJFWSA-N 0 0 304.390 0.689 50 0 DCAARN C[C@H](NC(=O)CN1CCCS(=O)(=O)CC1)c1ccccc1 ZINC000071893660 396123429 /nfs/dbraw/zinc/12/34/29/396123429.db2.gz VPTIEMBRLHCGJO-ZDUSSCGKSA-N 0 0 310.419 0.984 50 0 DCAARN O=C(CN1CCCS(=O)(=O)CC1)NCc1ccccc1F ZINC000071893665 396123825 /nfs/dbraw/zinc/12/38/25/396123825.db2.gz XSVMYBHXKHQYHO-UHFFFAOYSA-N 0 0 314.382 0.562 50 0 DCAARN COC[C@@H](C)NC(=O)N(C)C[C@H](O)COCCOC(C)C ZINC000071913542 396124835 /nfs/dbraw/zinc/12/48/35/396124835.db2.gz YNNUTRQMFWBVFH-OLZOCXBDSA-N 0 0 306.403 0.465 50 0 DCAARN Cc1nc2c(c(=O)[nH]1)CCN(C(=O)Cn1nc3ccccc3n1)C2 ZINC000072150546 396126843 /nfs/dbraw/zinc/12/68/43/396126843.db2.gz JJKNKNANHMOTKO-UHFFFAOYSA-N 0 0 324.344 0.408 50 0 DCAARN Cc1nc(C)n([C@@H]2CCCN(C(=O)CN3CCCNC3=O)C2)n1 ZINC000072235414 396127019 /nfs/dbraw/zinc/12/70/19/396127019.db2.gz LYZLIGMADMESNQ-CYBMUJFWSA-N 0 0 320.397 0.474 50 0 DCAARN Cc1cc(C)n([C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)n1 ZINC000072235654 396127212 /nfs/dbraw/zinc/12/72/12/396127212.db2.gz REMNCOCANBBDCG-GFCCVEGCSA-N 0 0 319.365 0.215 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)c2cc(C)nn2CC)CC1 ZINC000072269683 396128873 /nfs/dbraw/zinc/12/88/73/396128873.db2.gz SICHNBFKCKBIPM-AWEZNQCLSA-N 0 0 324.425 0.367 50 0 DCAARN CCOC(=O)CC[C@@H](NC(=O)CCCOC)C(=O)OCC ZINC000072288596 396129701 /nfs/dbraw/zinc/12/97/01/396129701.db2.gz LFLASQHEDNRFFM-LLVKDONJSA-N 0 0 303.355 0.804 50 0 DCAARN CCOC(=O)CN(C[C@H]1CCCO1)C(=O)c1cnc(C)cn1 ZINC000072297036 396129997 /nfs/dbraw/zinc/12/99/97/396129997.db2.gz CJKZXKSAMBSALF-GFCCVEGCSA-N 0 0 307.350 0.969 50 0 DCAARN COC(=O)[C@@]1(F)CCN(C(=O)C2(S(C)(=O)=O)CCCC2)C1 ZINC000072307225 396130771 /nfs/dbraw/zinc/13/07/71/396130771.db2.gz IOGUFONOICGQEL-GFCCVEGCSA-N 0 0 321.370 0.457 50 0 DCAARN Cc1cc(C)n(C[C@H]2CN(C[C@H](O)Cn3cccn3)CCO2)n1 ZINC000069368934 396075919 /nfs/dbraw/zinc/07/59/19/396075919.db2.gz QLYQXQGVVKPKLK-JKSUJKDBSA-N 0 0 319.409 0.458 50 0 DCAARN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000069378083 396076788 /nfs/dbraw/zinc/07/67/88/396076788.db2.gz OECQACBJHCSRAP-CHWSQXEVSA-N 0 0 308.407 0.968 50 0 DCAARN COC(=O)[C@@](C)(COc1ccccc1)NS(=O)(=O)N(C)C ZINC000069442725 396078532 /nfs/dbraw/zinc/07/85/32/396078532.db2.gz JXKYEDCBLMSUEH-CYBMUJFWSA-N 0 0 316.379 0.393 50 0 DCAARN CCc1nnc2n1CCN(CC(=O)N(C)Cc1ccco1)C2 ZINC000069460096 396079406 /nfs/dbraw/zinc/07/94/06/396079406.db2.gz NKSXUDCRKLVAEI-UHFFFAOYSA-N 0 0 303.366 0.908 50 0 DCAARN CCN(C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)[C@H]1CC(=O)NC1=O ZINC000069518435 396081203 /nfs/dbraw/zinc/08/12/03/396081203.db2.gz IDRALNGVRUKRPR-JQWIXIFHSA-N 0 0 322.748 0.907 50 0 DCAARN CCOc1cc(C)nc(N2CCN(C(=O)[C@H]3CCOC3)CC2)n1 ZINC000069513818 396081537 /nfs/dbraw/zinc/08/15/37/396081537.db2.gz AVNMQZLISRKBFI-ZDUSSCGKSA-N 0 0 320.393 0.869 50 0 DCAARN CS(=O)(=O)CC1(CC(=O)N2CCN(C3CC3)CC2)CC1 ZINC000176668741 396159136 /nfs/dbraw/zinc/15/91/36/396159136.db2.gz WFAFUCUINXXGDL-UHFFFAOYSA-N 0 0 300.424 0.508 50 0 DCAARN Cn1cncc1CCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000279257997 396161679 /nfs/dbraw/zinc/16/16/79/396161679.db2.gz UQYXCGFYSKMMJH-CYBMUJFWSA-N 0 0 314.393 0.928 50 0 DCAARN Cc1cc(C)c(C(=O)NC[C@@H](C)N2CCOC[C@@H]2C)c(=O)[nH]1 ZINC000074369620 396165802 /nfs/dbraw/zinc/16/58/02/396165802.db2.gz NGTRXITWUXEWEF-OLZOCXBDSA-N 0 0 307.394 0.831 50 0 DCAARN CCOC(=O)CN1C(=O)C(=O)N(c2ccc(OC)cc2)C1=S ZINC000075284289 396178573 /nfs/dbraw/zinc/17/85/73/396178573.db2.gz JMKBXNLSFSBJDL-UHFFFAOYSA-N 0 0 322.342 0.718 50 0 DCAARN CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000075602589 396181705 /nfs/dbraw/zinc/18/17/05/396181705.db2.gz RYYVRCPRLRHDOT-NEPJUHHUSA-N 0 0 314.411 0.655 50 0 DCAARN CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000075602592 396182004 /nfs/dbraw/zinc/18/20/04/396182004.db2.gz RYYVRCPRLRHDOT-VXGBXAGGSA-N 0 0 314.411 0.655 50 0 DCAARN Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC000075602656 396182024 /nfs/dbraw/zinc/18/20/24/396182024.db2.gz HNOLQPILZQMPCO-GFCCVEGCSA-N 0 0 316.365 0.466 50 0 DCAARN O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cn[nH]n1 ZINC000076018831 396191735 /nfs/dbraw/zinc/19/17/35/396191735.db2.gz ZMRUMMHYLHCHRG-JTQLQIEISA-N 0 0 305.725 0.993 50 0 DCAARN Cc1nc([C@H]2CCCN2C(=O)[C@H]2CCCN(C(N)=O)C2)no1 ZINC000076043742 396192942 /nfs/dbraw/zinc/19/29/42/396192942.db2.gz JLVNOBWSNILJGO-WDEREUQCSA-N 0 0 307.354 0.832 50 0 DCAARN Cc1cnn(CCC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000076044846 396192976 /nfs/dbraw/zinc/19/29/76/396192976.db2.gz VHJYDPWFFFPLPW-GFCCVEGCSA-N 0 0 304.354 0.608 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCO[C@H](c3nnc(C)[nH]3)C2)no1 ZINC000076042578 396193152 /nfs/dbraw/zinc/19/31/52/396193152.db2.gz UQBWEHBEJOTCTL-KOLCDFICSA-N 0 0 320.353 0.810 50 0 DCAARN CCc1nnc(CN2CCO[C@@H](CNc3cccnn3)C2)o1 ZINC000076049860 396193542 /nfs/dbraw/zinc/19/35/42/396193542.db2.gz XEIXBEPUJRGXRA-NSHDSACASA-N 0 0 304.354 0.735 50 0 DCAARN CC[C@H](CO)N1CCN(c2ccccc2S(C)(=O)=O)CC1 ZINC000078524591 396246771 /nfs/dbraw/zinc/24/67/71/396246771.db2.gz FLCDPWFLFUHKGV-CYBMUJFWSA-N 0 0 312.435 0.983 50 0 DCAARN O=C(CSc1ccccc1)NCCCN1C(=O)CNC1=O ZINC000078712833 396253014 /nfs/dbraw/zinc/25/30/14/396253014.db2.gz OOKYNSXKMOTTHW-UHFFFAOYSA-N 0 0 307.375 0.837 50 0 DCAARN Cc1nc(CN(C)[C@H]2CCN(Cc3nnnn3C3CC3)C2)no1 ZINC000078891261 396256035 /nfs/dbraw/zinc/25/60/35/396256035.db2.gz FJLWAEUPUXDTQA-LBPRGKRZSA-N 0 0 318.385 0.406 50 0 DCAARN Cc1cn2c(nc(CN3CCOC[C@H](CO)C3)cc2=O)s1 ZINC000077339848 396219182 /nfs/dbraw/zinc/21/91/82/396219182.db2.gz ISFPMXTXCAWHSK-NSHDSACASA-N 0 0 309.391 0.505 50 0 DCAARN O=C(CN1CCOc2ccccc2C1)N1CCOC[C@H](O)C1 ZINC000077355582 396219606 /nfs/dbraw/zinc/21/96/06/396219606.db2.gz IEEAPWGLOOYCAE-CQSZACIVSA-N 0 0 306.362 0.101 50 0 DCAARN COCCN1C[C@]2(CCCN(c3nccc(N)n3)C2)CCC1=O ZINC000077342252 396219656 /nfs/dbraw/zinc/21/96/56/396219656.db2.gz ZPQBBLZTSMDOHI-INIZCTEOSA-N 0 0 319.409 0.914 50 0 DCAARN CC(C)n1cc(C(=O)NCc2nc(N)nc(N(C)C)n2)cn1 ZINC000077470787 396223436 /nfs/dbraw/zinc/22/34/36/396223436.db2.gz ZLFDLFMRLBRARH-UHFFFAOYSA-N 0 0 304.358 0.227 50 0 DCAARN Cn1ccnc1CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 ZINC000077516980 396224622 /nfs/dbraw/zinc/22/46/22/396224622.db2.gz LZUHTKBFBAPGRG-MRXNPFEDSA-N 0 0 306.410 0.617 50 0 DCAARN COC(=O)[C@@H](NCc1cncc(Br)c1)[C@@H](C)O ZINC000191963665 396428042 /nfs/dbraw/zinc/42/80/42/396428042.db2.gz FWTAILZKQMDYQP-XCBNKYQSSA-N 0 0 303.156 0.856 50 0 DCAARN O=S(=O)(c1cnc(-c2ccccc2)nc1)N1CCNCC1 ZINC000193228956 396446351 /nfs/dbraw/zinc/44/63/51/396446351.db2.gz BDNVNPKFDUSPKV-UHFFFAOYSA-N 0 0 304.375 0.738 50 0 DCAARN O=C(NCCN1CCCC1=O)c1ccccc1N1CCOCC1 ZINC000580958527 396515038 /nfs/dbraw/zinc/51/50/38/396515038.db2.gz DWALRFMVUPFABR-UHFFFAOYSA-N 0 0 317.389 0.875 50 0 DCAARN CN(C)C(=O)[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)CCO1 ZINC000584885433 396632306 /nfs/dbraw/zinc/63/23/06/396632306.db2.gz BWJIKIIYQBGHBW-AWEZNQCLSA-N 0 0 316.361 0.421 50 0 DCAARN CCCN1C(=O)N[C@H](CC(=O)N2CCn3nc(C)cc3C2)C1=O ZINC000584898654 396635747 /nfs/dbraw/zinc/63/57/47/396635747.db2.gz QZQLXHCXGVQPSW-GFCCVEGCSA-N 0 0 319.365 0.254 50 0 DCAARN O=C(CCCn1cnnn1)NCc1nc2cc(F)ccc2[nH]1 ZINC000584899306 396636611 /nfs/dbraw/zinc/63/66/11/396636611.db2.gz HJCWIOZKWWWYRS-UHFFFAOYSA-N 0 0 303.301 0.785 50 0 DCAARN CC(C)c1nc(CCNC(=O)N2CCN(C)C(=O)[C@@H]2C)no1 ZINC000584903186 396637114 /nfs/dbraw/zinc/63/71/14/396637114.db2.gz JLEKJBLWJPWDCS-JTQLQIEISA-N 0 0 309.370 0.608 50 0 DCAARN NC(=O)C1(O)CN(c2nc(-c3ccccn3)nc3c2CCC3)C1 ZINC000585132812 396640821 /nfs/dbraw/zinc/64/08/21/396640821.db2.gz XBEDWBUPXLTGRO-UHFFFAOYSA-N 0 0 311.345 0.064 50 0 DCAARN CC(C)c1ccc(C(=O)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC000585140931 396641303 /nfs/dbraw/zinc/64/13/03/396641303.db2.gz NEIBBNGGXVIAFV-BETUJISGSA-N 0 0 303.362 0.469 50 0 DCAARN CC(C)C[C@H]1COCCN1C(=O)NCCCCS(N)(=O)=O ZINC000585137348 396641378 /nfs/dbraw/zinc/64/13/78/396641378.db2.gz UDPXGHSATLQHQC-LBPRGKRZSA-N 0 0 321.443 0.512 50 0 DCAARN NC(=O)[C@@H](c1ccccc1)S(=O)(=O)c1n[nH]c(C2CC2)n1 ZINC000585136607 396641459 /nfs/dbraw/zinc/64/14/59/396641459.db2.gz MUTBHXBCCHCNIL-SNVBAGLBSA-N 0 0 306.347 0.682 50 0 DCAARN C[C@H](C(=O)N[C@@H]1CCSC1=O)n1nc2c(cc1=O)CCC2 ZINC000585150532 396642070 /nfs/dbraw/zinc/64/20/70/396642070.db2.gz PDKUFOSFRSOMMY-LDYMZIIASA-N 0 0 307.375 0.441 50 0 DCAARN COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1 ZINC000375781727 396816660 /nfs/dbraw/zinc/81/66/60/396816660.db2.gz ZUJWYAXFWKMDST-UHFFFAOYSA-N 0 0 322.346 0.310 50 0 DCAARN Cc1nnsc1C(=O)NCc1nc(-c2cnn(C)c2)no1 ZINC000390831582 397303565 /nfs/dbraw/zinc/30/35/65/397303565.db2.gz SQQXSNWGXFRITB-UHFFFAOYSA-N 0 0 305.323 0.560 50 0 DCAARN COc1cc(OC)c([C@@H]2CC3(C)NC(=O)C2C(=O)N3)cc1OC ZINC000062001837 286239979 /nfs/dbraw/zinc/23/99/79/286239979.db2.gz VOFIFANKLPJDHG-MECOZAJYSA-N 0 0 320.345 0.778 50 0 biogenic DCAARN COCCC[N@@H+]1CCN(C(=O)c2ccc[nH]2)C[C@H](C(=O)[O-])C1 ZINC000097480361 292353799 /nfs/dbraw/zinc/35/37/99/292353799.db2.gz YDGKXPHBTSSBFC-GFCCVEGCSA-N 0 0 309.366 0.510 50 0 DCAARN CNC(=O)NCC(=O)N1CCN(c2cccc(OC)c2)CC1 ZINC000089561923 158098066 /nfs/dbraw/zinc/09/80/66/158098066.db2.gz ZNAJBXSIXVZHLO-UHFFFAOYSA-N 0 0 306.366 0.273 50 0 DCAARN Cn1cc([C@@]2(C)CN(S(=O)(=O)c3ccccn3)CCO2)cn1 ZINC000133701029 158320838 /nfs/dbraw/zinc/32/08/38/158320838.db2.gz QFWZDJHKCCQYHU-CQSZACIVSA-N 0 0 322.390 0.751 50 0 DCAARN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@H]2CCCOC2)C1 ZINC000329046882 159055061 /nfs/dbraw/zinc/05/50/61/159055061.db2.gz VHFVBQQSLLNYTI-IHRRRGAJSA-N 0 0 310.394 0.651 50 0 DCAARN CC[C@@H]1CN(S(=O)(=O)[C@H]2CCOC2)C[C@H]1N1CCOCC1 ZINC000330291779 159157464 /nfs/dbraw/zinc/15/74/64/159157464.db2.gz CYJMOMVIIGHYFL-HZSPNIEDSA-N 0 0 318.439 0.148 50 0 DCAARN COCCN(C)S(=O)(=O)NC[C@@H](c1cccs1)N(C)C ZINC000069738022 292434784 /nfs/dbraw/zinc/43/47/84/292434784.db2.gz XUTJLLCRWMYAFR-NSHDSACASA-N 0 0 321.468 0.763 50 0 DCAARN O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H](n2cncn2)C1 ZINC000072234813 286910937 /nfs/dbraw/zinc/91/09/37/286910937.db2.gz SXQMOJCTXXRBHE-WCQYABFASA-N 0 0 303.366 0.453 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)NC(=O)N[C@@H]2c1ccccc1Cl ZINC000020724648 415156120 /nfs/dbraw/zinc/15/61/20/415156120.db2.gz LSGHAIMXHJCADE-SNVBAGLBSA-N 0 0 320.736 0.962 50 0 DCAARN C[C@@H]1c2ccsc2CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000025382194 415160446 /nfs/dbraw/zinc/16/04/46/415160446.db2.gz YKAKLBISDRMGPC-SECBINFHSA-N 0 0 305.359 0.744 50 0 DCAARN O=C(CNc1cccc(-n2cnnn2)c1)NCC(F)(F)F ZINC000025616810 415160565 /nfs/dbraw/zinc/16/05/65/415160565.db2.gz AOWXOFTZXHSOJS-UHFFFAOYSA-N 0 0 300.244 0.753 50 0 DCAARN Cn1c2ncn(C[C@H](O)c3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000025225987 415163470 /nfs/dbraw/zinc/16/34/70/415163470.db2.gz YIALRRKPUIBZRN-NSHDSACASA-N 0 0 318.308 0.306 50 0 DCAARN CC1=NN(C(C)C)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000004316639 415129994 /nfs/dbraw/zinc/12/99/94/415129994.db2.gz NMMJVUUULIYIBO-VIFPVBQESA-N 0 0 304.354 0.599 50 0 DCAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCC(N)=O)C1=O ZINC000007206491 415137955 /nfs/dbraw/zinc/13/79/55/415137955.db2.gz BQWBBLDNCIBXAV-AWEZNQCLSA-N 0 0 305.290 0.058 50 0 DCAARN Cn1c2ncn(Cc3nc4ccccc4o3)c2c(=O)n(C)c1=O ZINC000007064832 415137991 /nfs/dbraw/zinc/13/79/91/415137991.db2.gz AWEKUDDKBCFQFU-UHFFFAOYSA-N 0 0 311.301 0.623 50 0 DCAARN C[C@H](OC(=O)CCc1nc2ccccc2c(=O)n1C)C(N)=O ZINC000007269128 415138337 /nfs/dbraw/zinc/13/83/37/415138337.db2.gz KBMPVZVYDVRFHX-VIFPVBQESA-N 0 0 303.318 0.283 50 0 DCAARN COCCN(CC(C)C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000025996949 415163927 /nfs/dbraw/zinc/16/39/27/415163927.db2.gz RTQJOMKFEQBIFM-VOTSOKGWSA-N 0 0 323.393 0.228 50 0 DCAARN O=C(OCCCOC(=O)c1cc[n+]([O-])cc1)c1cc[n+]([O-])cc1 ZINC000007781421 415140657 /nfs/dbraw/zinc/14/06/57/415140657.db2.gz BSZKXQFUHYVBOR-UHFFFAOYSA-N 0 0 318.285 0.357 50 0 DCAARN CC[C@@H](C)NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000007675934 415142255 /nfs/dbraw/zinc/14/22/55/415142255.db2.gz PKPRACCNEKGCLT-SECBINFHSA-N 0 0 303.318 0.995 50 0 DCAARN CN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCOC[C@@H]32)C1=O ZINC000009090004 415145578 /nfs/dbraw/zinc/14/55/78/415145578.db2.gz TZVQGAFUWZDPPL-MLGOLLRUSA-N 0 0 315.329 0.143 50 0 DCAARN O=C(c1ccc2n[nH]nc2c1)N1CCN(c2ncccn2)CC1 ZINC000008337633 415145769 /nfs/dbraw/zinc/14/57/69/415145769.db2.gz HQYCIDATPBYRKZ-UHFFFAOYSA-N 0 0 309.333 0.710 50 0 DCAARN C[C@@H]1CN(CCOc2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1 ZINC000027270174 415168232 /nfs/dbraw/zinc/16/82/32/415168232.db2.gz LXLIOUXEOPUVRB-TXEJJXNPSA-N 0 0 314.407 0.822 50 0 DCAARN COc1cccc(N2C[C@H](C(=O)N3CCNC(=O)C3)CC2=O)c1 ZINC000044337946 415219329 /nfs/dbraw/zinc/21/93/29/415219329.db2.gz HDMLCZSYATWIHO-LLVKDONJSA-N 0 0 317.345 0.007 50 0 DCAARN C[C@H](Cc1ccco1)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000044912983 415232852 /nfs/dbraw/zinc/23/28/52/415232852.db2.gz KACMPWGZGLOGFX-NEPJUHHUSA-N 0 0 314.407 0.998 50 0 DCAARN Cc1csc(=O)n1CCC(=O)NC[C@H](C)N1CCOCC1 ZINC000044912755 415232999 /nfs/dbraw/zinc/23/29/99/415232999.db2.gz UISCFSROFOHFKU-NSHDSACASA-N 0 0 313.423 0.445 50 0 DCAARN O=C(NCCN1CCOCC1)NCc1cn2ccccc2n1 ZINC000044946660 415233893 /nfs/dbraw/zinc/23/38/93/415233893.db2.gz QWTNACFYCJOGNN-UHFFFAOYSA-N 0 0 303.366 0.466 50 0 DCAARN COc1cccc(S(=O)(=O)[C@H](C)C(=O)N2CCOCC2)c1 ZINC000044947722 415234915 /nfs/dbraw/zinc/23/49/15/415234915.db2.gz UTOGIHWXEMDDPS-LLVKDONJSA-N 0 0 313.375 0.716 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)NCCN1CCCCCC1=O ZINC000044971566 415238529 /nfs/dbraw/zinc/23/85/29/415238529.db2.gz WBJKBAWAZINDEF-UHFFFAOYSA-N 0 0 307.398 0.964 50 0 DCAARN CC(C)Oc1ncccc1CNC(=O)[C@H](C)S(C)(=O)=O ZINC000044952758 415238949 /nfs/dbraw/zinc/23/89/49/415238949.db2.gz HBXFYRVQZFIIRK-JTQLQIEISA-N 0 0 300.380 0.918 50 0 DCAARN COc1ncccc1CNC(=O)NCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000044953749 415239105 /nfs/dbraw/zinc/23/91/05/415239105.db2.gz NVAQNIJYRYKKIX-BETUJISGSA-N 0 0 322.409 0.999 50 0 DCAARN CN(C)[C@H](CNC(=O)N[C@@H]1CCCCNC1=O)c1ccco1 ZINC000044966372 415239145 /nfs/dbraw/zinc/23/91/45/415239145.db2.gz RFNZTACVRQWSSX-VXGBXAGGSA-N 0 0 308.382 0.850 50 0 DCAARN NC(=O)COCCNS(=O)(=O)c1cccc(Cl)c1F ZINC000268568759 415243415 /nfs/dbraw/zinc/24/34/15/415243415.db2.gz QQDGXWDLWQJGHX-UHFFFAOYSA-N 0 0 310.734 0.259 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2nnn(-c3cccs3)c2=O)[C@@H](C)CO1 ZINC000045525252 415247350 /nfs/dbraw/zinc/24/73/50/415247350.db2.gz OIKGQVBBEHXMTR-VHSXEESVSA-N 0 0 323.378 0.126 50 0 DCAARN COCCN1C[C@H](C(=O)NCc2ccc(OC)cc2)CC1=O ZINC000045268383 415248024 /nfs/dbraw/zinc/24/80/24/415248024.db2.gz KMNGQDXVBGYWQZ-CYBMUJFWSA-N 0 0 306.362 0.806 50 0 DCAARN CC(C)(C)c1nnnn1CN1CCN(c2cnccn2)CC1 ZINC000045802077 415250254 /nfs/dbraw/zinc/25/02/54/415250254.db2.gz QUBIOLQDWOUZQJ-UHFFFAOYSA-N 0 0 302.386 0.540 50 0 DCAARN C[C@H]1COCCN1C(=O)NC1CCN(c2ncccn2)CC1 ZINC000045710572 415251745 /nfs/dbraw/zinc/25/17/45/415251745.db2.gz PVZWXWNJXAIIQD-LBPRGKRZSA-N 0 0 305.382 0.876 50 0 DCAARN C[C@@H](NC(=O)NCCNS(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000045653327 415252274 /nfs/dbraw/zinc/25/22/74/415252274.db2.gz CHPCIOMZSMTOEL-MRVPVSSYSA-N 0 0 321.349 0.874 50 0 DCAARN C[C@H]1CNc2ncnc(N3CCN(S(C)(=O)=O)CC3)c2C1 ZINC000046087810 415255706 /nfs/dbraw/zinc/25/57/06/415255706.db2.gz RPAWNUYNRCJDOH-SNVBAGLBSA-N 0 0 311.411 0.162 50 0 DCAARN CC(C)Oc1ccc(CNC(=O)N2CC[C@@H](C(N)=O)C2)cn1 ZINC000046824207 415263205 /nfs/dbraw/zinc/26/32/05/415263205.db2.gz QNHVBDIZYZGVFV-GFCCVEGCSA-N 0 0 306.366 0.886 50 0 DCAARN CC(C)Cn1nccc1NC(=O)NCC1(C(N)=O)CCOCC1 ZINC000047379548 415270200 /nfs/dbraw/zinc/27/02/00/415270200.db2.gz XAJKWJWKXXUIJE-UHFFFAOYSA-N 0 0 323.397 0.943 50 0 DCAARN O=C(COc1ccc(N2CCCC2=O)cc1)N1CCNC(=O)C1 ZINC000044889074 415229701 /nfs/dbraw/zinc/22/97/01/415229701.db2.gz KHKMHGMDEGCMEP-UHFFFAOYSA-N 0 0 317.345 0.151 50 0 DCAARN CCCn1nc(C(=O)N2CCCN(C(C)=O)CC2)ccc1=O ZINC000044895508 415230536 /nfs/dbraw/zinc/23/05/36/415230536.db2.gz DMNRAHBVZBSASR-UHFFFAOYSA-N 0 0 306.366 0.348 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)NCCN1CCCCCC1=O ZINC000048251977 415285757 /nfs/dbraw/zinc/28/57/57/415285757.db2.gz UURVKDOWGYIBFK-CYBMUJFWSA-N 0 0 307.398 0.973 50 0 DCAARN Cn1cc(NC(=O)Cn2nnc(-c3c(F)cccc3F)n2)nn1 ZINC000048209683 415285918 /nfs/dbraw/zinc/28/59/18/415285918.db2.gz SKHNFVVPAXNJAU-UHFFFAOYSA-N 0 0 320.263 0.386 50 0 DCAARN Cc1cc(C)n(C[C@@H](C)CNC(=O)CC[C@@H]2NC(=O)NC2=O)n1 ZINC000048410044 415289211 /nfs/dbraw/zinc/28/92/11/415289211.db2.gz DNOGFUGOCIWLFK-CABZTGNLSA-N 0 0 321.381 0.240 50 0 DCAARN CCN(C[C@H]1CCOC1)C(=O)c1cnc2n(c1=O)CCS2 ZINC000048311744 415292417 /nfs/dbraw/zinc/29/24/17/415292417.db2.gz HIOVAPYWFOYHTK-SNVBAGLBSA-N 0 0 309.391 0.848 50 0 DCAARN CN1CCNC(=O)C12CCN(C(=O)c1ccncc1F)CC2 ZINC000067850969 415391419 /nfs/dbraw/zinc/39/14/19/415391419.db2.gz MXVYWKXKESIGDL-UHFFFAOYSA-N 0 0 306.341 0.257 50 0 DCAARN CCc1nc(CC(=O)N2CCCN(CC(N)=O)CC2)cs1 ZINC000071829252 415407441 /nfs/dbraw/zinc/40/74/41/415407441.db2.gz XSWRRPOHUARNQO-UHFFFAOYSA-N 0 0 310.423 0.268 50 0 DCAARN COCCN(C)S(=O)(=O)N[C@H](C)CN(C)c1ccccc1 ZINC000071897426 415407578 /nfs/dbraw/zinc/40/75/78/415407578.db2.gz XQVBADHLOOWOLZ-CYBMUJFWSA-N 0 0 315.439 0.924 50 0 DCAARN CNC(=O)[C@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc(F)c(F)c1 ZINC000071832182 415408851 /nfs/dbraw/zinc/40/88/51/415408851.db2.gz QWKSXBMWQIXDGC-GFCCVEGCSA-N 0 0 322.271 0.678 50 0 DCAARN CCO[C@H](C(=O)N1CCCN(CC(N)=O)CC1)c1ccccc1 ZINC000071829249 415408878 /nfs/dbraw/zinc/40/88/78/415408878.db2.gz RJPUXJQTWGGYIM-INIZCTEOSA-N 0 0 319.405 0.784 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H](CNC(=O)Cc2ccccn2)C1 ZINC000067458381 415374440 /nfs/dbraw/zinc/37/44/40/415374440.db2.gz UOWCHZWUMWKIQI-LBPRGKRZSA-N 0 0 311.407 0.412 50 0 DCAARN CN(CCc1ccccn1)C(=O)CNC(=O)N1CCSCC1 ZINC000067468761 415380631 /nfs/dbraw/zinc/38/06/31/415380631.db2.gz BBWVNIJKRVCPQS-UHFFFAOYSA-N 0 0 322.434 0.841 50 0 DCAARN O=C(NCCc1nccs1)c1cc(CN2CCOCC2)on1 ZINC000067714400 415384067 /nfs/dbraw/zinc/38/40/67/415384067.db2.gz QKJHRJJDZCBLOU-UHFFFAOYSA-N 0 0 322.390 0.936 50 0 DCAARN Cn1cc(/C=C/C(=O)N2CC[C@]3(C2)CCCN(C)C3=O)cn1 ZINC000067714690 415384552 /nfs/dbraw/zinc/38/45/52/415384552.db2.gz GWKIOMLBOMENRY-APHBUQMISA-N 0 0 302.378 0.904 50 0 DCAARN C[C@H](CO)NC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000084638270 415495442 /nfs/dbraw/zinc/49/54/42/415495442.db2.gz YEEPZEQTQANXPP-HUUCEWRRSA-N 0 0 320.437 0.877 50 0 DCAARN C[C@H](CO)NC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000084638269 415497042 /nfs/dbraw/zinc/49/70/42/415497042.db2.gz YEEPZEQTQANXPP-LSDHHAIUSA-N 0 0 320.437 0.877 50 0 DCAARN O=C(c1ccsc1)N1CCN(CCN2CCOC2=O)CC1 ZINC000075119988 415438092 /nfs/dbraw/zinc/43/80/92/415438092.db2.gz IAZSCWATDCTROK-UHFFFAOYSA-N 0 0 309.391 0.958 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)c2ccc(-n3cnnc3)cc2)CC1 ZINC000075603007 415447022 /nfs/dbraw/zinc/44/70/22/415447022.db2.gz FGCXYBIKLFJUKP-ZDUSSCGKSA-N 0 0 315.377 0.406 50 0 DCAARN O=c1[nH]ncn2cc(S(=O)(=O)NCc3ccccc3F)cc12 ZINC000075536518 415447816 /nfs/dbraw/zinc/44/78/16/415447816.db2.gz YWPKQKGAZROBBS-UHFFFAOYSA-N 0 0 322.321 0.640 50 0 DCAARN Cn1cc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)ccc1=O ZINC000079283350 415471780 /nfs/dbraw/zinc/47/17/80/415471780.db2.gz NFEFUCHBKRYEMN-ZDUSSCGKSA-N 0 0 313.361 0.574 50 0 DCAARN Cc1nn(-c2ccc3nncn3n2)c(N)c1[C@H](O)C(F)(F)F ZINC000079478544 415473155 /nfs/dbraw/zinc/47/31/55/415473155.db2.gz SEJHFNLJHCELOP-BDAKNGLRSA-N 0 0 313.243 0.837 50 0 DCAARN COCCO[C@@H]1COCC[C@H]1NC(=O)N1CCCO[C@H](C)C1 ZINC000332982798 415520503 /nfs/dbraw/zinc/52/05/03/415520503.db2.gz PVSGSRRWHIHZER-MGPQQGTHSA-N 0 0 316.398 0.627 50 0 DCAARN COCc1nc(CNC(=O)c2cnc(N(C)C)nc2C)no1 ZINC000095355005 415551745 /nfs/dbraw/zinc/55/17/45/415551745.db2.gz CGZHBOSPFSZSKB-UHFFFAOYSA-N 0 0 306.326 0.310 50 0 DCAARN CN(C)C(=O)N1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 ZINC000095353395 415552580 /nfs/dbraw/zinc/55/25/80/415552580.db2.gz DCUUWWYJBZNDOI-GFCCVEGCSA-N 0 0 317.397 0.921 50 0 DCAARN COc1cccc2c1OC[C@@H](CNC(=O)C1(C(N)=O)CC1)C2 ZINC000095356008 415553243 /nfs/dbraw/zinc/55/32/43/415553243.db2.gz PRIAQDIOOMAOAP-SNVBAGLBSA-N 0 0 304.346 0.628 50 0 DCAARN Cc1ccnc(N2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)n1 ZINC000095355437 415555636 /nfs/dbraw/zinc/55/56/36/415555636.db2.gz JAJNIGQBMGGOCS-QWHCGFSZSA-N 0 0 317.393 0.300 50 0 DCAARN O=C(Nc1ncc[nH]1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095477047 415565442 /nfs/dbraw/zinc/56/54/42/415565442.db2.gz OCKJYAQUZYUYDG-SECBINFHSA-N 0 0 310.317 0.700 50 0 DCAARN CCN(CC(=O)NCC(=O)NC)Cc1ccc2c(c1)OCCO2 ZINC000095994239 415567456 /nfs/dbraw/zinc/56/74/56/415567456.db2.gz QDPKMJPECDLFJR-UHFFFAOYSA-N 0 0 321.377 0.142 50 0 DCAARN CO[C@@H]1[C@H](C)[C@H](NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1(C)C ZINC000095986547 415567640 /nfs/dbraw/zinc/56/76/40/415567640.db2.gz SYYGWYVTIAKZIS-CHWFTXMASA-N 0 0 304.412 0.532 50 0 DCAARN CC(C)[C@H](C(=O)N1CC(O)C1)n1nnc(-c2ccccc2)n1 ZINC000095967819 415568966 /nfs/dbraw/zinc/56/89/66/415568966.db2.gz XFBJGUVIMHYFDH-CYBMUJFWSA-N 0 0 301.350 0.740 50 0 DCAARN Cn1cnc(S(=O)(=O)NC[C@@]2(O)CCc3ccccc3C2)c1 ZINC000096026045 415572185 /nfs/dbraw/zinc/57/21/85/415572185.db2.gz PXQPNFOEFYAHNX-OAHLLOKOSA-N 0 0 321.402 0.618 50 0 DCAARN CNC(=O)CN(C)C(=O)/C=C\c1cc(OC)c(OC)c(OC)c1 ZINC000097996908 415589949 /nfs/dbraw/zinc/58/99/49/415589949.db2.gz OJVXLSVDDCJQBP-SREVYHEPSA-N 0 0 322.361 0.930 50 0 DCAARN C[C@H](O)CNc1c(=O)c(=O)c1N1CCN(c2ccccc2)CC1 ZINC000102341148 415595358 /nfs/dbraw/zinc/59/53/58/415595358.db2.gz NUTHQPDZLNWBTE-LBPRGKRZSA-N 0 0 315.373 0.402 50 0 DCAARN CN1CCO[C@@H](CN(C(=O)[C@H]2CCOC2)c2nccs2)C1 ZINC000108086867 415676686 /nfs/dbraw/zinc/67/66/86/415676686.db2.gz LMTREDNPAVMVGJ-NWDGAFQWSA-N 0 0 311.407 0.843 50 0 DCAARN O=C(NCCc1cccnc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111812677 415698918 /nfs/dbraw/zinc/69/89/18/415698918.db2.gz SILXNBBBZZNCCY-HNNXBMFYSA-N 0 0 315.377 0.931 50 0 DCAARN Nc1ccnc(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)n1 ZINC000120631792 415777054 /nfs/dbraw/zinc/77/70/54/415777054.db2.gz BYOBNPVBYMZPFW-SNVBAGLBSA-N 0 0 315.308 0.940 50 0 DCAARN O=c1cc(CN2CCNC(=O)[C@@H]2CCO)[nH]c2ccc(F)cc12 ZINC000299773230 416066284 /nfs/dbraw/zinc/06/62/84/416066284.db2.gz AZXZPBOQYKDOKL-AWEZNQCLSA-N 0 0 319.336 0.762 50 0 DCAARN CSCc1noc(CN2CC[C@H]3OCc4cnnn4[C@H]3C2)n1 ZINC000299780597 416067034 /nfs/dbraw/zinc/06/70/34/416067034.db2.gz TYTYRPMUWMEJOI-WDEREUQCSA-N 0 0 322.394 0.870 50 0 DCAARN Cc1ccc(CC(=O)N2CCN3C(=O)CNC(=O)[C@@H]3C2)cc1C ZINC000299781760 416067589 /nfs/dbraw/zinc/06/75/89/416067589.db2.gz RPNSRFMNAGCEBO-AWEZNQCLSA-N 0 0 315.373 0.015 50 0 DCAARN OCc1[nH]nc2c1CN(c1cc([C@@H]3CCOC3)ncn1)CC2 ZINC000299791322 416068973 /nfs/dbraw/zinc/06/89/73/416068973.db2.gz CVFHVQQVUGLWQE-SNVBAGLBSA-N 0 0 301.350 0.759 50 0 DCAARN CCCn1cc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)c(C)n1 ZINC000299789493 416069292 /nfs/dbraw/zinc/06/92/92/416069292.db2.gz YGZBWKQQECTADZ-NSHDSACASA-N 0 0 314.411 0.352 50 0 DCAARN Cc1n[nH]nc1C(=O)N1CCN(Cc2ncccc2C)CC1 ZINC000299787728 416069440 /nfs/dbraw/zinc/06/94/40/416069440.db2.gz XJIZGEBQVPMGEA-UHFFFAOYSA-N 0 0 300.366 0.775 50 0 DCAARN Cc1nnc(CN2CCC3(CC2)C(=O)N(C)C(=O)N3C)s1 ZINC000299786691 416069645 /nfs/dbraw/zinc/06/96/45/416069645.db2.gz OOWZPCSODHEIOG-UHFFFAOYSA-N 0 0 309.395 0.705 50 0 DCAARN Cc1nc2c(NC(=O)N[C@@H](C)Cn3cncn3)cccn2n1 ZINC000299789483 416069795 /nfs/dbraw/zinc/06/97/95/416069795.db2.gz VRNQPIMOZJAPTH-VIFPVBQESA-N 0 0 300.326 0.839 50 0 DCAARN O=C(CN1CC[C@H]2OCc3cnnn3[C@H]2C1)N1CCCCCC1 ZINC000299791372 416069967 /nfs/dbraw/zinc/06/99/67/416069967.db2.gz DTCZEBHFQUGNDJ-LSDHHAIUSA-N 0 0 319.409 0.826 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)CCc2c(C)nn(C)c2C)cn1 ZINC000341870104 416245587 /nfs/dbraw/zinc/24/55/87/416245587.db2.gz AFQMLNSHTOCFAG-UHFFFAOYSA-N 0 0 318.381 0.551 50 0 DCAARN Nc1n[nH]c(C(=O)N2CCC[C@H](N3CCCC3=O)C2)c1Cl ZINC000215546453 416326901 /nfs/dbraw/zinc/32/69/01/416326901.db2.gz ZPFKWMJPDGHJNV-QMMMGPOBSA-N 0 0 311.773 0.872 50 0 DCAARN Cn1c(CCNC(=O)CN2CCOC2=O)nc2ccccc21 ZINC000216351441 416327495 /nfs/dbraw/zinc/32/74/95/416327495.db2.gz JXJJQXSNUZLHEA-UHFFFAOYSA-N 0 0 302.334 0.684 50 0 DCAARN Cc1nnc([C@H]2CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)[nH]1 ZINC000216342629 416327593 /nfs/dbraw/zinc/32/75/93/416327593.db2.gz HOEPYQMKTKTRPJ-SECBINFHSA-N 0 0 320.353 0.107 50 0 DCAARN Cc1ccc(C(=O)NCC2(OCCO)CCOCC2)c(C)n1 ZINC000240756937 416329954 /nfs/dbraw/zinc/32/99/54/416329954.db2.gz HVOFSDIWLVFXGI-UHFFFAOYSA-N 0 0 308.378 0.986 50 0 DCAARN Cc1nc(N)ncc1C(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 ZINC000244741961 416330726 /nfs/dbraw/zinc/33/07/26/416330726.db2.gz NZRKOYFYSOKRNZ-NDMJEZRESA-N 0 0 316.365 0.343 50 0 DCAARN CC(=O)NCC(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000244773921 416331034 /nfs/dbraw/zinc/33/10/34/416331034.db2.gz PISTUIXVVOVJNH-VBQJREDUSA-N 0 0 318.373 0.686 50 0 DCAARN Cc1noc2nc(C)cc(C(=O)NCCc3nc(N)n[nH]3)c12 ZINC000534667814 416506652 /nfs/dbraw/zinc/50/66/52/416506652.db2.gz PCPGFRQXAMXDIX-UHFFFAOYSA-N 0 0 301.310 0.512 50 0 DCAARN Nc1n[nH]c(CNC(=O)N2CCO[C@@H](c3ccccc3)C2)n1 ZINC000534639370 416506777 /nfs/dbraw/zinc/50/67/77/416506777.db2.gz PJEJQIVRGKZEEE-LLVKDONJSA-N 0 0 302.338 0.670 50 0 DCAARN Nc1n[nH]c(CCNC(=O)c2ccc(N3CCCC3=O)cc2)n1 ZINC000534638547 416507470 /nfs/dbraw/zinc/50/74/70/416507470.db2.gz LOTULNFIQOHKBN-UHFFFAOYSA-N 0 0 314.349 0.486 50 0 DCAARN COC(=O)CCN1CC[C@@H](N2C[C@@H](O)Cc3ccccc32)C1=O ZINC000585094399 416518803 /nfs/dbraw/zinc/51/88/03/416518803.db2.gz ZZZNIMVBEMEIQT-DZGCQCFKSA-N 0 0 318.373 0.574 50 0 DCAARN CN(C)c1ncc(CNc2nc3c(c(=O)[nH]2)CCCC3)cn1 ZINC000585139143 416519617 /nfs/dbraw/zinc/51/96/17/416519617.db2.gz MFKFBRMCQJLYSZ-UHFFFAOYSA-N 0 0 300.366 1.529 50 0 DCAARN CNC(=O)[C@@H]1CCC[C@H]1Nc1ccn2c(C(=O)OC)cnc2n1 ZINC000585142444 416519675 /nfs/dbraw/zinc/51/96/75/416519675.db2.gz WQYRDWIEUAKLCY-NXEZZACHSA-N 0 0 317.349 0.843 50 0 DCAARN O=C1OC[C@@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3)CCN12 ZINC000493311960 416640787 /nfs/dbraw/zinc/64/07/87/416640787.db2.gz ISIVXSFROLLXHF-QMMMGPOBSA-N 0 0 318.301 0.790 50 0 DCAARN CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NC[C@@H]2CCCO2)C1 ZINC000624338714 417011606 /nfs/dbraw/zinc/01/16/06/417011606.db2.gz BHLDLMYEBVSUIZ-NEPJUHHUSA-N 0 0 319.427 0.136 50 0 DCAARN O=C(NCCCc1nnc[nH]1)Nc1nnc(C(F)F)s1 ZINC000390835330 417099906 /nfs/dbraw/zinc/09/99/06/417099906.db2.gz LBADKFBAVCPRMC-UHFFFAOYSA-N 0 0 303.298 1.348 50 0 DCAARN CC[C@@]1(O)CCCN(S(=O)(=O)N2CCC(OC)CC2)C1 ZINC000632667678 417221773 /nfs/dbraw/zinc/22/17/73/417221773.db2.gz ZGKMHDJTCVADDJ-CYBMUJFWSA-N 0 0 306.428 0.579 50 0 DCAARN Cc1nnc2n1CC[C@H](NS(=O)(=O)c1cccnc1)CC2 ZINC000575544342 417539009 /nfs/dbraw/zinc/53/90/09/417539009.db2.gz JEBKZIQOPKQLKO-LLVKDONJSA-N 0 0 307.379 0.665 50 0 DCAARN COCCNC(=O)C1(F)CCN(C(=O)c2cn(C)cn2)CC1 ZINC000575556525 417539428 /nfs/dbraw/zinc/53/94/28/417539428.db2.gz STRCNAIZSJTAFS-UHFFFAOYSA-N 0 0 312.345 0.127 50 0 DCAARN Cc1oncc1C(=O)NCc1nc(N(C)C)nc(N(C)C)n1 ZINC000575604295 417540165 /nfs/dbraw/zinc/54/01/65/417540165.db2.gz VYXLFZXXJQUPAR-UHFFFAOYSA-N 0 0 305.342 0.230 50 0 DCAARN COC[C@](C)(CNS(=O)(=O)c1cn(C)c(C(C)C)n1)OC ZINC000575612295 417540721 /nfs/dbraw/zinc/54/07/21/417540721.db2.gz LEPCHADCJMCGBS-ZDUSSCGKSA-N 0 0 319.427 0.873 50 0 DCAARN COc1ncc(C(=O)NCc2nc(-c3cnn(C)c3)no2)cn1 ZINC000575616854 417541590 /nfs/dbraw/zinc/54/15/90/417541590.db2.gz NQOVMNJJDUNZIV-UHFFFAOYSA-N 0 0 315.293 0.199 50 0 DCAARN Cn1cc(S(=O)(=O)NCc2nccnc2-c2ccoc2)cn1 ZINC000575621357 417542025 /nfs/dbraw/zinc/54/20/25/417542025.db2.gz VSHILNACHRYXSY-UHFFFAOYSA-N 0 0 319.346 0.949 50 0 DCAARN Cc1nnc(N2CCN(C(=O)c3ccc(O)c(F)c3)CC2)n1C ZINC000630030194 417801080 /nfs/dbraw/zinc/80/10/80/417801080.db2.gz LMAPHECAROHGHK-UHFFFAOYSA-N 0 0 319.340 0.931 50 0 DCAARN COc1cccc(OC)c1S(=O)(=O)NC1CC(CO)C1 ZINC000660147227 418237381 /nfs/dbraw/zinc/23/73/81/418237381.db2.gz SOQIIQDWBNWBDH-UHFFFAOYSA-N 0 0 301.364 0.753 50 0 DCAARN CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000660015937 418218347 /nfs/dbraw/zinc/21/83/47/418218347.db2.gz VJECDAIKKHWPHJ-XQQFMLRXSA-N 0 0 308.403 0.987 50 0 DCAARN CC1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000032796434 276194849 /nfs/dbraw/zinc/19/48/49/276194849.db2.gz XYEWDZPHKFBNDQ-UHFFFAOYSA-N 0 0 316.361 0.504 50 0 DCAARN CN1C(=O)/C(=C2/C[C@@H](c3ccccc3)NN2)C(=O)NC1=S ZINC000009419072 277005637 /nfs/dbraw/zinc/00/56/37/277005637.db2.gz SUXKRMPRSONCFK-BLUPIXKYSA-N 0 0 302.359 0.353 50 0 DCAARN COC(=O)[C@H](C)Sc1c(C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000010216491 277382469 /nfs/dbraw/zinc/38/24/69/277382469.db2.gz SXFBYSPMUVSHRQ-QMMMGPOBSA-N 0 0 323.374 0.594 50 0 DCAARN CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1nccs1 ZINC000004111449 278140834 /nfs/dbraw/zinc/14/08/34/278140834.db2.gz RHHQUJJTTKYGOM-QMMMGPOBSA-N 0 0 305.381 0.021 50 0 DCAARN CC(C)(C)OC(=O)CNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000170627260 278376161 /nfs/dbraw/zinc/37/61/61/278376161.db2.gz JCTYCGSJELDVPR-YMTOWFKASA-N 0 0 314.407 0.898 50 0 DCAARN CCCN1C[C@@H](C(=O)N2CCc3nc[nH]c(=O)c3C2)CCC1=O ZINC000299782970 278828636 /nfs/dbraw/zinc/82/86/36/278828636.db2.gz QRRGXNWEPPROCF-NSHDSACASA-N 0 0 318.377 0.716 50 0 DCAARN Cc1cn2c3c(nc2n1CCO)n(C)c(=O)n(CC(C)C)c3=O ZINC000008709849 279004707 /nfs/dbraw/zinc/00/47/07/279004707.db2.gz WVQKNRSIGXOMGB-UHFFFAOYSA-N 0 0 319.365 0.106 50 0 DCAARN C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCO)CC(=O)N12 ZINC000000490560 279127790 /nfs/dbraw/zinc/12/77/90/279127790.db2.gz XAMJMOMNYYXGTP-YGRLFVJLSA-N 0 0 313.357 0.817 50 0 biogenic DCAARN CC(C)C[C@H](NC(=O)[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-] ZINC000011592556 279188525 /nfs/dbraw/zinc/18/85/25/279188525.db2.gz VGGGPCQERPFHOB-MELADBBJSA-N 0 0 308.378 0.533 50 0 in-vitro DCAARN Cc1nn(C)c2ncnc(N3CCC4(CC3)NC(C)=NC4=O)c12 ZINC000072423386 279209928 /nfs/dbraw/zinc/20/99/28/279209928.db2.gz KGQOADOAIBHKHP-UHFFFAOYSA-N 0 0 313.365 0.559 50 0 DCAARN CC(C)N1C[C@H](NC(=O)N[C@@H](C)CN2CCOCC2)CC1=O ZINC000072293234 279554817 /nfs/dbraw/zinc/55/48/17/279554817.db2.gz NDYVYDAWJIEPBS-QWHCGFSZSA-N 0 0 312.414 0.016 50 0 DCAARN NC(=O)NCC(=O)N1CCC2(CC1)c1ccccc1C[C@H]2O ZINC000072172754 279568814 /nfs/dbraw/zinc/56/88/14/279568814.db2.gz BLJJNXURQLGNQJ-CYBMUJFWSA-N 0 0 303.362 0.132 50 0 DCAARN CC(C)OC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000000545316 279640641 /nfs/dbraw/zinc/64/06/41/279640641.db2.gz ODFODHMLWHLQBT-GMIGGYDBSA-N 0 0 321.373 0.899 50 0 DCAARN CCS(=O)(=O)NCC(=O)NCc1cc(C)c(F)c(C)c1 ZINC000095443298 280018282 /nfs/dbraw/zinc/01/82/82/280018282.db2.gz FKQNPNQVMXXBFR-UHFFFAOYSA-N 0 0 302.371 0.998 50 0 DCAARN CC1(C)C[C@@H]1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 ZINC000095972996 281327054 /nfs/dbraw/zinc/32/70/54/281327054.db2.gz GQHBUUUWDXBCOG-WOPDTQHZSA-N 0 0 300.424 0.410 50 0 DCAARN C[C@@H]1COCCN1C(=O)CCN1C(=O)NC2(CCCCC2)C1=O ZINC000033050321 288336756 /nfs/dbraw/zinc/33/67/56/288336756.db2.gz JOHPDJLOSPRQMM-GFCCVEGCSA-N 0 0 323.393 0.879 50 0 DCAARN CCn1cc(-c2nc(=O)c3c(C)csc3[nH]2)c(=O)[nH]c1=O ZINC000102781252 281616757 /nfs/dbraw/zinc/61/67/57/281616757.db2.gz XKEFXLVXMGXNRG-UHFFFAOYSA-N 0 0 304.331 0.830 50 0 DCAARN Cc1nc(CCN(C)S(=O)(=O)N2CCCCCC2)no1 ZINC000556824488 288397644 /nfs/dbraw/zinc/39/76/44/288397644.db2.gz UVGKCKIPKVBPRU-UHFFFAOYSA-N 0 0 302.400 0.973 50 0 DCAARN C[C@H]1CCCCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000032778292 290381935 /nfs/dbraw/zinc/38/19/35/290381935.db2.gz OQBJSSBYYMSEHF-JTQLQIEISA-N 0 0 316.361 0.647 50 0 DCAARN Cc1n[nH]c(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)cn21 ZINC000096102020 293091323 /nfs/dbraw/zinc/09/13/23/293091323.db2.gz HSHLJNVAAGOZNY-SECBINFHSA-N 0 0 310.379 0.894 50 0 DCAARN Cc1nn(C)c2nc(C)cc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)c12 ZINC000215447237 293767356 /nfs/dbraw/zinc/76/73/56/293767356.db2.gz SQSBNAQKRZGFCI-SNVBAGLBSA-N 0 0 320.374 0.626 50 0 DCAARN Cn1cc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cn1 ZINC000071818522 294271077 /nfs/dbraw/zinc/27/10/77/294271077.db2.gz AYTQGUHRBJMQBL-ZDUSSCGKSA-N 0 0 320.374 0.021 50 0 DCAARN COc1ccc(N2C(=O)CS[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000005010689 295155296 /nfs/dbraw/zinc/15/52/96/295155296.db2.gz HQLDWLJJXXBRRN-NWDGAFQWSA-N 0 0 313.400 0.941 50 0 DCAARN CS(=O)(=O)c1ncc(CN2CCCO2)n1C[C@@H]1CCCO1 ZINC000012434380 295563475 /nfs/dbraw/zinc/56/34/75/295563475.db2.gz RXRVNOPAEQFKSY-LBPRGKRZSA-N 0 0 315.395 0.603 50 0 DCAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC(NC(N)=O)CC2)C1 ZINC000072313113 297229128 /nfs/dbraw/zinc/22/91/28/297229128.db2.gz KAAWWFOGJUJYCT-GHMZBOCLSA-N 0 0 318.443 0.342 50 0 DCAARN C[C@H]1CN(C)c2ccccc2N(C(=O)CN2CCNCC2=O)C1 ZINC000237600147 300228463 /nfs/dbraw/zinc/22/84/63/300228463.db2.gz IHFKEOIHMWOPAX-ZDUSSCGKSA-N 0 0 316.405 0.537 50 0 DCAARN Cc1cnc2c(Cl)c(C(=O)N3C[C@@H]([NH3+])C[C@H]3C(=O)[O-])nn2c1 ZINC000077390956 302374120 /nfs/dbraw/zinc/37/41/20/302374120.db2.gz RYMYWVVXPHDTIT-YUMQZZPRSA-N 0 0 323.740 0.318 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)NCC(C)(C)N1CCOCC1 ZINC000038408266 331675557 /nfs/dbraw/zinc/67/55/57/331675557.db2.gz ZULMWKVNBBZKRQ-UHFFFAOYSA-N 0 0 317.411 0.681 50 0 DCAARN NC(=O)c1csc(S(=O)(=O)NCC[C@@H]2CCCOC2)c1 ZINC000534576191 334287894 /nfs/dbraw/zinc/28/78/94/334287894.db2.gz REFRMHZZBVWCEJ-VIFPVBQESA-N 0 0 318.420 0.942 50 0 DCAARN CN(CC(=O)[O-])c1ncc(CN2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000534580928 334289329 /nfs/dbraw/zinc/28/93/29/334289329.db2.gz DIBMZSKZZKSWIC-CYBMUJFWSA-N 0 0 305.382 0.277 50 0 DCAARN O=C([O-])c1cc(S(=O)(=O)N2C[C@@H]3CC[NH2+][C@@H]3C2)ccc1O ZINC000534592187 334294731 /nfs/dbraw/zinc/29/47/31/334294731.db2.gz VXTRUYDTMIJXQI-GZMMTYOYSA-N 0 0 312.347 0.073 50 0 DCAARN CCn1nccc1S(=O)(=O)N[C@H](COC)c1ccccn1 ZINC000534630525 334307537 /nfs/dbraw/zinc/30/75/37/334307537.db2.gz WCEFTDYBXIQCQW-GFCCVEGCSA-N 0 0 310.379 0.964 50 0 DCAARN CCO[C@@H](C)CNC(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000534632414 334307802 /nfs/dbraw/zinc/30/78/02/334307802.db2.gz HRIQZGWRJUYEIX-LBPRGKRZSA-N 0 0 308.382 0.907 50 0 DCAARN CCO[C@H](C)CNC(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000534632413 334307843 /nfs/dbraw/zinc/30/78/43/334307843.db2.gz HRIQZGWRJUYEIX-GFCCVEGCSA-N 0 0 308.382 0.907 50 0 DCAARN O=S(=O)(NCCCc1nc2ccccc2[nH]1)N1CCOCC1 ZINC000534652274 334312658 /nfs/dbraw/zinc/31/26/58/334312658.db2.gz AQTNOPBAYPDAPO-UHFFFAOYSA-N 0 0 324.406 0.662 50 0 DCAARN O=C(NCCn1ccnn1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000534657445 334314426 /nfs/dbraw/zinc/31/44/26/334314426.db2.gz OCKDRWMROZLJHX-UONOGXRCSA-N 0 0 319.409 0.823 50 0 DCAARN COC(=O)c1cc(O)cc(C(=O)N2CCO[C@@H](CC[NH3+])C2)c1 ZINC000534673142 334321226 /nfs/dbraw/zinc/32/12/26/334321226.db2.gz ACPPHDLZKYOCPQ-ZDUSSCGKSA-N 0 0 308.334 0.369 50 0 DCAARN CC(C)(C)OC(=O)[C@H]1CCCCN1C(=O)C1(NC(N)=O)CC1 ZINC000390834601 336947151 /nfs/dbraw/zinc/94/71/51/336947151.db2.gz HVRSWZFBCZTGGY-SNVBAGLBSA-N 0 0 311.382 0.910 50 0 DCAARN COc1ccccc1-n1cnnc1SCC(=O)NC(N)=O ZINC000002626845 533931163 /nfs/dbraw/zinc/93/11/63/533931163.db2.gz GIOAWAIFRNRSPC-UHFFFAOYSA-N 0 0 307.335 0.563 50 0 DCAARN O=C(CCCn1cnnn1)N1CC(Oc2ccc(F)cc2)C1 ZINC000299785790 534392700 /nfs/dbraw/zinc/39/27/00/534392700.db2.gz MBYHIKLYSOEXTH-UHFFFAOYSA-N 0 0 305.313 0.882 50 0 DCAARN C=CC(=O)N1CC[C@H](N(C)Cc2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000328597412 526916145 /nfs/dbraw/zinc/91/61/45/526916145.db2.gz GXUDSQZEVYEOFP-LBPRGKRZSA-N 0 0 305.382 0.467 50 0 DCAARN C[C@@H]1C[C@@H](N2CCO[C@H](CN(C)c3cccnn3)C2)C(=O)O1 ZINC000084685972 545702142 /nfs/dbraw/zinc/70/21/42/545702142.db2.gz BGVGPZDSRHINJI-JHJVBQTASA-N 0 0 306.366 0.318 50 0 DCAARN COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(C)(=O)=O ZINC000206804648 545936857 /nfs/dbraw/zinc/93/68/57/545936857.db2.gz WJWYPMVKXAAGHN-MWLCHTKSSA-N 0 0 317.338 0.780 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)NCCCn1ncc2ccccc21 ZINC000215747718 545937965 /nfs/dbraw/zinc/93/79/65/545937965.db2.gz RQLJQXAJWRVURU-NSHDSACASA-N 0 0 315.333 0.141 50 0 DCAARN CC[C@H](C)[C@H](CO)NC(=O)[C@@H](c1ccccc1)n1cnnn1 ZINC000575443427 546298956 /nfs/dbraw/zinc/29/89/56/546298956.db2.gz FWCSRZFMNNWAEL-FPMFFAJLSA-N 0 0 303.366 0.786 50 0 DCAARN Cc1ccc2[nH]c(CNS(=O)(=O)N3CCN(C)CC3)nc2c1 ZINC000670437001 547089576 /nfs/dbraw/zinc/08/95/76/547089576.db2.gz VSTUWXPQLYFWCV-UHFFFAOYSA-N 0 0 323.422 0.453 50 0 DCAARN NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1nnc2n1CCCCC2 ZINC000670441801 547092095 /nfs/dbraw/zinc/09/20/95/547092095.db2.gz QIPCKILYQBKNNN-GHMZBOCLSA-N 0 0 303.366 0.554 50 0 DCAARN CSc1ncc(CNS(=O)(=O)c2c(C)n[nH]c2C)n1C ZINC000670448177 547095149 /nfs/dbraw/zinc/09/51/49/547095149.db2.gz VZLIQZFQXVUKAC-UHFFFAOYSA-N 0 0 315.424 0.960 50 0 DCAARN CN(C)S(=O)(=O)N(C)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000670459752 547097228 /nfs/dbraw/zinc/09/72/28/547097228.db2.gz PUMZHJYWQBODKH-LLVKDONJSA-N 0 0 303.428 0.516 50 0 DCAARN COc1cccc(N2CCN(CCn3cnnc3)CC2=O)c1 ZINC000670456140 547097975 /nfs/dbraw/zinc/09/79/75/547097975.db2.gz XZJJGZRADIQZAN-UHFFFAOYSA-N 0 0 301.350 0.636 50 0 DCAARN Cn1nccc1S(=O)(=O)N1CCC[C@H](CC(N)=O)CC1 ZINC000671413988 547206546 /nfs/dbraw/zinc/20/65/46/547206546.db2.gz VZYPXWRISRRQKQ-JTQLQIEISA-N 0 0 300.384 0.086 50 0 DCAARN Cc1ncccc1CC(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 ZINC000685942995 548747751 /nfs/dbraw/zinc/74/77/51/548747751.db2.gz ZJXQPMVEOHCSDS-UONOGXRCSA-N 0 0 302.334 0.618 50 0 DCAARN Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)COC2CCCC2)C1 ZINC000685942327 548747758 /nfs/dbraw/zinc/74/77/58/548747758.db2.gz IPDWBHCQVNTZEO-OUCADQQQSA-N 0 0 322.409 0.745 50 0 DCAARN O=C(c1cnccn1)N1CC[C@@H](S(=O)(=O)Cc2ccco2)C1 ZINC000206690972 563634918 /nfs/dbraw/zinc/63/49/18/563634918.db2.gz CZVBTFNWXGZLMT-GFCCVEGCSA-N 0 0 321.358 0.899 50 0 DCAARN O=C(Cn1cncn1)NN=Cc1cc(Br)ccc1O ZINC000254814531 660763983 /nfs/dbraw/zinc/76/39/83/660763983.db2.gz OFQWDOXQCHNPFO-UHFFFAOYSA-N 0 0 324.138 0.897 50 0 DCAARN COC(=O)CS(=O)(=O)CC(=O)N1c2ccccc2C[C@H]1C ZINC000888096329 661173646 /nfs/dbraw/zinc/17/36/46/661173646.db2.gz ATABMNVFVDOKTC-SNVBAGLBSA-N 0 0 311.359 0.552 50 0 DCAARN Cn1ncnc1CNC(=O)NCc1ccc2c(c1)OCCCO2 ZINC000176307044 658028987 /nfs/dbraw/zinc/02/89/87/658028987.db2.gz RGIHVDRZAUXHQH-UHFFFAOYSA-N 0 0 317.349 0.976 50 0 DCAARN CC(=O)NC[C@@H]1CCn2ncc(-c3nc(N(C)C)no3)c2C1 ZINC000285320225 659685877 /nfs/dbraw/zinc/68/58/77/659685877.db2.gz KWVWPQVYWFGRAM-SNVBAGLBSA-N 0 0 304.354 0.698 50 0 DCAARN CC(C)Cc1noc([C@@H](C)NC(=O)CCS(C)(=O)=O)n1 ZINC000952977028 665839203 /nfs/dbraw/zinc/83/92/03/665839203.db2.gz ZEGRVZOWYNFONW-SECBINFHSA-N 0 0 303.384 0.880 50 0 DCAARN CCCn1cc(CNS(=O)(=O)C[C@@H](C)COCC)nn1 ZINC000952994583 665871836 /nfs/dbraw/zinc/87/18/36/665871836.db2.gz YVTNEMAPNBLUNJ-NSHDSACASA-N 0 0 304.416 0.780 50 0 DCAARN [NH3+][C@]1(C(=O)[O-])CCN(Cc2cccc(Cn3cccn3)c2)C1 ZINC000067821866 663362034 /nfs/dbraw/zinc/36/20/34/663362034.db2.gz ZCJVFKOFWAWNPE-MRXNPFEDSA-N 0 0 300.362 0.919 50 0 DCAARN CN1CC[C@H](c2nc(Cc3ccc(F)cn3)no2)S1(=O)=O ZINC000351343979 664808112 /nfs/dbraw/zinc/80/81/12/664808112.db2.gz BHPJBZORCPPHII-SNVBAGLBSA-N 0 0 312.326 0.901 50 0 DCAARN CCCCNC(=O)[C@H](C)N1CCN(C(=O)C(OC)OC)CC1 ZINC000857706279 670940314 /nfs/dbraw/zinc/94/03/14/670940314.db2.gz HNMXDKUFZPGCPK-LBPRGKRZSA-N 0 0 315.414 0.054 50 0 DCAARN O=C(c1cnn(-c2ccccc2)n1)N1CC(Nc2cccnn2)C1 ZINC000606440571 685300959 /nfs/dbraw/zinc/30/09/59/685300959.db2.gz CCRXPLQFUMKYKH-UHFFFAOYSA-N 0 0 321.344 0.994 50 0 DCAARN CS(=O)(=O)CCC(=O)NCCc1noc(-c2ccccc2)n1 ZINC000952963813 685598431 /nfs/dbraw/zinc/59/84/31/685598431.db2.gz KUTAHTOEMNMCSS-UHFFFAOYSA-N 0 0 323.374 0.830 50 0 DCAARN COC(=O)N[C@@H](C)C(=O)N1CCC(CNC(=O)C2CC2)CC1 ZINC000952974619 685600079 /nfs/dbraw/zinc/60/00/79/685600079.db2.gz JXFIVKRPWKODGN-JTQLQIEISA-N 0 0 311.382 0.496 50 0 DCAARN COc1nccnc1N1CCC(CNC(=O)[C@@H]2CCOC2)CC1 ZINC000952975841 685600095 /nfs/dbraw/zinc/60/00/95/685600095.db2.gz KFYYQCRKBPXQSR-CYBMUJFWSA-N 0 0 320.393 0.854 50 0 DCAARN CCN(C)S(=O)(=O)N1CCC[C@H](CNC(=O)C2CCC2)C1 ZINC000952975714 685600391 /nfs/dbraw/zinc/60/03/91/685600391.db2.gz ZRDXOAMDXNPHJA-GFCCVEGCSA-N 0 0 317.455 0.811 50 0 DCAARN C[C@H]1C(=O)N2CCN(C(=O)c3ccc(F)cc3)C[C@@H]2C(=O)N1C ZINC000014742143 685048636 /nfs/dbraw/zinc/04/86/36/685048636.db2.gz GQJCYVJPVAIIMC-GXFFZTMASA-N 0 0 319.336 0.339 50 0 DCAARN Cc1nc2c(nc(C)nc2N(CCO)Cc2nccn2C)o1 ZINC000063870771 685063709 /nfs/dbraw/zinc/06/37/09/685063709.db2.gz XWFQRSYEGGZHTC-UHFFFAOYSA-N 0 0 302.338 0.967 50 0 DCAARN O=C(C[N@@H+]1C[C@@H]2COCC[C@]2(C(=O)[O-])C1)NCc1cccs1 ZINC001772711735 1157847612 /nfs/dbraw/zinc/84/76/12/1157847612.db2.gz JTSAIDUMFRUTJB-ABAIWWIYSA-N 0 0 324.402 0.787 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3ccc(C)[nH]c3=O)C[C@H]2O)[nH]n1 ZINC001704297168 1179964248 /nfs/dbraw/zinc/96/42/48/1179964248.db2.gz IUQJHMNDEGVVRK-BXUZGUMPSA-N 0 0 316.361 0.803 50 0 DCAARN Nc1ncc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)s1 ZINC001704297479 1179964428 /nfs/dbraw/zinc/96/44/28/1179964428.db2.gz AKZFLPPZIHIHBK-PSASIEDQSA-N 0 0 305.363 0.191 50 0 DCAARN Cc1ocnc1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[N@@H+](C)[C@@H]2C1 ZINC001704297485 1179964941 /nfs/dbraw/zinc/96/49/41/1179964941.db2.gz ARURSJUCRPZOLY-ABAIWWIYSA-N 0 0 307.350 0.994 50 0 DCAARN Cc1cc(C[C@@H]2CN(c3nc(C(N)=O)cs3)C[C@H]2O)n[nH]1 ZINC001704300299 1179965372 /nfs/dbraw/zinc/96/53/72/1179965372.db2.gz XKYJHSRMEOMXCC-LDYMZIIASA-N 0 0 307.379 0.313 50 0 DCAARN Cc1cc(C)nc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)n1 ZINC001704313764 1179969674 /nfs/dbraw/zinc/96/96/74/1179969674.db2.gz JMCMMXRJHUKHKO-NWDGAFQWSA-N 0 0 314.411 0.412 50 0 DCAARN Cc1cc(C(N)=O)c(N2CCC(c3nc(N)n[nH]3)CC2)nc1C ZINC001704315778 1179970602 /nfs/dbraw/zinc/97/06/02/1179970602.db2.gz WEYVERNBOULJAO-UHFFFAOYSA-N 0 0 315.381 0.882 50 0 DCAARN CCn1ccc(CN2C[C@@H]3COC[C@H](C2)[N@H+](CC(=O)[O-])C3)n1 ZINC001704330037 1179974752 /nfs/dbraw/zinc/97/47/52/1179974752.db2.gz UMHUFJQWGOKTCV-JSGCOSHPSA-N 0 0 308.382 0.120 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3ccc[nH]c3=O)C[C@H]2O)[nH]n1 ZINC001704336953 1179978011 /nfs/dbraw/zinc/97/80/11/1179978011.db2.gz NTPTXGVOUORJHB-ZWNOBZJWSA-N 0 0 302.334 0.494 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 ZINC001704335693 1179978189 /nfs/dbraw/zinc/97/81/89/1179978189.db2.gz DLSGLSNHNZWLJI-RYUDHWBXSA-N 0 0 315.395 0.243 50 0 DCAARN CCn1ccnc1CN1C[C@H]2COC[C@@H]1C[N@H+](CC(=O)[O-])C2 ZINC001704341162 1179978914 /nfs/dbraw/zinc/97/89/14/1179978914.db2.gz XWGGIRXIBZGDSM-STQMWFEESA-N 0 0 308.382 0.120 50 0 DCAARN O=C(NCCC1CCCC1)c1cc2n(n1)C[C@H](O)CNC2=O ZINC001704352461 1179983360 /nfs/dbraw/zinc/98/33/60/1179983360.db2.gz ZFGFUMQICJKQHI-LLVKDONJSA-N 0 0 306.366 0.298 50 0 DCAARN Cc1noc(C)c1CC(=O)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704353951 1179983611 /nfs/dbraw/zinc/98/36/11/1179983611.db2.gz QAENSORZEQFNPQ-IUODEOHRSA-N 0 0 316.361 0.686 50 0 DCAARN CS(=O)(=O)N1CC[C@H](n2cc(COCC3CC3)nn2)C1 ZINC000675019507 748027363 /nfs/dbraw/zinc/02/73/63/748027363.db2.gz KOCWYHMGULAKSX-LBPRGKRZSA-N 0 0 300.384 0.411 50 0 DCAARN Cc1nc(CC[C@@H]2CCN(C(=O)CN3CCOCC3)C2)no1 ZINC000675023462 748028120 /nfs/dbraw/zinc/02/81/20/748028120.db2.gz FYKKIWUUDUXRFV-CYBMUJFWSA-N 0 0 308.382 0.491 50 0 DCAARN CO[C@H]1COC[C@@H]1NC(=O)c1csc(-c2ncccn2)n1 ZINC000824506859 758777705 /nfs/dbraw/zinc/77/77/05/758777705.db2.gz WDISHSHZJYWNPT-WPRPVWTQSA-N 0 0 306.347 0.744 50 0 DCAARN Nc1cc(=O)[nH]c(CCNS(=O)(=O)CC2CCCC2)n1 ZINC000827582919 758869167 /nfs/dbraw/zinc/86/91/67/758869167.db2.gz MTDJROLCSSXIAN-UHFFFAOYSA-N 0 0 300.384 0.417 50 0 DCAARN CS(=O)(=O)CCC(=O)NCc1nncn1C1CCCCC1 ZINC000827819969 758885712 /nfs/dbraw/zinc/88/57/12/758885712.db2.gz QHGUGQPYTWBGAY-UHFFFAOYSA-N 0 0 314.411 0.834 50 0 DCAARN Cc1cc(C)n(CCNC(=O)Cc2cccc(O)c2)c(=O)n1 ZINC000827851021 758894191 /nfs/dbraw/zinc/89/41/91/758894191.db2.gz GVFYRKIXGMQHOC-UHFFFAOYSA-N 0 0 301.346 0.925 50 0 DCAARN Nc1nc(N)nc(CN2CCC(C(=O)C(F)(F)F)CC2)n1 ZINC000186074114 759610889 /nfs/dbraw/zinc/61/08/89/759610889.db2.gz SDPAYHYBEFERSE-UHFFFAOYSA-N 0 0 304.276 0.379 50 0 DCAARN CN1C(=O)C[S@](=O)C12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000581793919 760252014 /nfs/dbraw/zinc/25/20/14/760252014.db2.gz HDAIPAKLKNZQCV-QFIPXVFZSA-N 0 0 324.377 0.979 50 0 DCAARN Cn1ncc(N2CC[C@H](C(=O)NCc3ccccc3)C2)cc1=O ZINC000581792593 760252621 /nfs/dbraw/zinc/25/26/21/760252621.db2.gz MAXMSXCVJZGPRW-AWEZNQCLSA-N 0 0 312.373 0.923 50 0 DCAARN COCC(=O)N[C@@H]1CCC12CCN(C(=O)c1cnccn1)CC2 ZINC000581803735 760253454 /nfs/dbraw/zinc/25/34/54/760253454.db2.gz SOHDFJPUFZFHGJ-CYBMUJFWSA-N 0 0 318.377 0.624 50 0 DCAARN O=C(NCc1ccccc1)C(=O)NCC1(OCCO)CCCC1 ZINC000888107009 765410839 /nfs/dbraw/zinc/41/08/39/765410839.db2.gz IPYHGQQTDHZUSY-UHFFFAOYSA-N 0 0 320.389 0.741 50 0 DCAARN COC(=O)[C@@H](NC(=O)CCCN(C)C(=O)OC)c1ccccn1 ZINC000584907189 766236749 /nfs/dbraw/zinc/23/67/49/766236749.db2.gz RRXNUYRBQQKAQR-ZDUSSCGKSA-N 0 0 323.349 0.890 50 0 DCAARN CCOC(=O)[C@H]1CSCN1C(=O)c1ccc(C(N)=O)cc1 ZINC000585079800 766267950 /nfs/dbraw/zinc/26/79/50/766267950.db2.gz VDTBBVAJEXZGKH-LLVKDONJSA-N 0 0 308.359 0.864 50 0 DCAARN O=C(NC1(CO)CCSCC1)c1ccnc2[nH]c(=O)[nH]c21 ZINC000585121383 766286372 /nfs/dbraw/zinc/28/63/72/766286372.db2.gz OAQGCCOXJWKSNR-UHFFFAOYSA-N 0 0 308.363 0.651 50 0 DCAARN Cn1ccc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1=O ZINC000585124969 766288322 /nfs/dbraw/zinc/28/83/22/766288322.db2.gz BLXJCBIBIAGVBA-SNVBAGLBSA-N 0 0 322.365 0.810 50 0 DCAARN COC(=O)c1c(NC(=O)COC[C@H]2CCCO2)nc2n1CCC2 ZINC000585126378 766289844 /nfs/dbraw/zinc/28/98/44/766289844.db2.gz XPWPQUXBWRWGBP-SNVBAGLBSA-N 0 0 323.349 0.750 50 0 DCAARN CN1CC(=O)N(CC(=O)NC2(c3cc(F)cc(F)c3)CC2)C1=O ZINC000952873931 768937492 /nfs/dbraw/zinc/93/74/92/768937492.db2.gz RIDDTCMTELINIP-UHFFFAOYSA-N 0 0 323.299 0.964 50 0 DCAARN COc1cc(C)n(CCNC(=O)c2cc(C)nn2C)c(=O)c1 ZINC000238920218 769750167 /nfs/dbraw/zinc/75/01/67/769750167.db2.gz SYKWCTZBKYGOAQ-UHFFFAOYSA-N 0 0 304.350 0.637 50 0 DCAARN COCCc1noc([C@H]2CCCCN2CCS(C)(=O)=O)n1 ZINC001529186861 1014517683 /nfs/dbraw/zinc/51/76/83/1014517683.db2.gz LGLVAQBUNVVXHY-LLVKDONJSA-N 0 0 317.411 0.830 50 0 DCAARN CCc1nn(C)c(NC(=O)CN2C(=O)CN(C)C2=O)c1CC ZINC001529196733 1014520119 /nfs/dbraw/zinc/52/01/19/1014520119.db2.gz GARSGIFZORPGBT-UHFFFAOYSA-N 0 0 307.354 0.377 50 0 DCAARN NC(=O)COc1ccc(CN2CCNC(=O)C23CCCC3)cc1 ZINC001506404641 1017254981 /nfs/dbraw/zinc/25/49/81/1017254981.db2.gz ZPQMUMSOGQCFDT-UHFFFAOYSA-N 0 0 317.389 0.795 50 0 DCAARN CCC1(C(=O)NC)CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 ZINC001506413199 1017262374 /nfs/dbraw/zinc/26/23/74/1017262374.db2.gz HSACABUVGRVCPR-GFCCVEGCSA-N 0 0 324.425 0.542 50 0 DCAARN COC[C@H]1CCCN(S(=O)(=O)NC2(CO)CCCC2)C1 ZINC001506421333 1017265816 /nfs/dbraw/zinc/26/58/16/1017265816.db2.gz OLFKQKXLBQRXOL-LBPRGKRZSA-N 0 0 306.428 0.484 50 0 DCAARN Cc1nnnn1CCC(=O)Nc1c(C)n(C)nc1N1CCCC1 ZINC001506424673 1017267378 /nfs/dbraw/zinc/26/73/78/1017267378.db2.gz BGNWMYPMCUAVDE-UHFFFAOYSA-N 0 0 318.385 0.652 50 0 DCAARN CCN(C)CC(=O)Nc1nnc(SCC(=O)N(C)C)s1 ZINC001506427307 1017268197 /nfs/dbraw/zinc/26/81/97/1017268197.db2.gz KYQMCJWGEDYRBH-UHFFFAOYSA-N 0 0 317.440 0.609 50 0 DCAARN Cc1ccc(O[C@H]2CCN(C(=O)c3cccn(C)c3=O)C2)nn1 ZINC000225421276 201705634 /nfs/dbraw/zinc/70/56/34/201705634.db2.gz YOBOQVLRLISAEE-LBPRGKRZSA-N 0 0 314.345 0.777 50 0 DCAARN O=S(=O)(c1ccc2c(c1)CCC2)N1CCN2CCOC[C@@H]2C1 ZINC000328587337 231232035 /nfs/dbraw/zinc/23/20/35/231232035.db2.gz DTPCQPVCWMXQGE-HNNXBMFYSA-N 0 0 322.430 0.880 50 0 DCAARN CCN(CC(=O)N([C@H](C)CS(C)(=O)=O)C1CC1)C1CC1 ZINC000089960951 185272137 /nfs/dbraw/zinc/27/21/37/185272137.db2.gz MHQLDZDLAQERCV-LLVKDONJSA-N 0 0 302.440 0.895 50 0 DCAARN CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@H]1CNC(=O)N1 ZINC000089969175 185272451 /nfs/dbraw/zinc/27/24/51/185272451.db2.gz SCZDXZVNTPUWPS-WDEREUQCSA-N 0 0 305.334 0.356 50 0 DCAARN O=C(CN1CC(c2nc(C3CC3)no2)C1)NC[C@@H]1CCCO1 ZINC000090563459 185303928 /nfs/dbraw/zinc/30/39/28/185303928.db2.gz BTZNQRQYRMXJRQ-LBPRGKRZSA-N 0 0 306.366 0.641 50 0 DCAARN CN(C)c1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccon2)cc1 ZINC000090611894 185306812 /nfs/dbraw/zinc/30/68/12/185306812.db2.gz YXOQYLAWPCFMKD-LBPRGKRZSA-N 0 0 318.333 0.529 50 0 DCAARN COc1ccc(/C=c2/sc3nc(=O)cnn3c2=O)cc1OC ZINC000000137788 190612037 /nfs/dbraw/zinc/61/20/37/190612037.db2.gz LNQHACSAMXFCPP-IZZDOVSWSA-N 0 0 317.326 0.076 50 0 DCAARN O=C(NCC1CC1)[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000095404337 185355362 /nfs/dbraw/zinc/35/53/62/185355362.db2.gz NFEMODKUNBBNMG-GFCCVEGCSA-N 0 0 300.366 0.867 50 0 DCAARN CCCN(C(=O)NC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000095444200 185366938 /nfs/dbraw/zinc/36/69/38/185366938.db2.gz SMBQWWMNYZGBIP-NEPJUHHUSA-N 0 0 304.412 0.774 50 0 DCAARN Cc1ccc(C)c(CS(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000095450348 185368766 /nfs/dbraw/zinc/36/87/66/185368766.db2.gz FTDQCUACUOIMHX-CHWSQXEVSA-N 0 0 318.416 0.376 50 0 DCAARN O=C(c1ccn(-c2cccc(F)c2)n1)N1C[C@H](O)C[C@@H]1CO ZINC000095451179 185368867 /nfs/dbraw/zinc/36/88/67/185368867.db2.gz YTMYLIMPJBIVMX-CHWSQXEVSA-N 0 0 305.309 0.579 50 0 DCAARN CC1CCN(C[C@H](O)Cn2ccnc2S(C)(=O)=O)CC1 ZINC000095438708 185365789 /nfs/dbraw/zinc/36/57/89/185365789.db2.gz GGIPAVBMHNUGNV-LBPRGKRZSA-N 0 0 301.412 0.379 50 0 DCAARN C[C@H](CCO)NS(=O)(=O)c1ccc(Br)cn1 ZINC000095441204 185366340 /nfs/dbraw/zinc/36/63/40/185366340.db2.gz YMQUATIMYGVLMI-SSDOTTSWSA-N 0 0 309.185 0.893 50 0 DCAARN CC[C@@H](CO)NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000095456310 185369971 /nfs/dbraw/zinc/36/99/71/185369971.db2.gz ZDEXEIZTRVOVNN-VIFPVBQESA-N 0 0 311.363 0.239 50 0 DCAARN COc1ccc(Br)cc1NC(=O)NOCC(N)=O ZINC000095460907 185370906 /nfs/dbraw/zinc/37/09/06/185370906.db2.gz KCASMCDXJDCBJU-UHFFFAOYSA-N 0 0 318.127 0.996 50 0 DCAARN CNC(=O)CS(=O)(=O)c1nnc2cc(C)c3ccccc3n21 ZINC000408519069 529867124 /nfs/dbraw/zinc/86/71/24/529867124.db2.gz WTXGJCQXQKMQLT-UHFFFAOYSA-N 0 0 318.358 0.711 50 0 DCAARN Cc1cc(C)n2nc(C(=O)N[C@@H](CO)C3CCOCC3)nc2n1 ZINC000225572818 201732344 /nfs/dbraw/zinc/73/23/44/201732344.db2.gz BJVGLSZUCGNISP-LBPRGKRZSA-N 0 0 319.365 0.258 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1sccc1C(N)=O ZINC000044357487 190673499 /nfs/dbraw/zinc/67/34/99/190673499.db2.gz UGOJNDDKNVXKEX-MRVPVSSYSA-N 0 0 317.392 0.210 50 0 DCAARN CN(CC(=O)NC[C@H]1Cc2ccccc2CO1)S(C)(=O)=O ZINC000225785725 201746743 /nfs/dbraw/zinc/74/67/43/201746743.db2.gz IQVUOPWTTMYTTG-CYBMUJFWSA-N 0 0 312.391 0.136 50 0 DCAARN CS(=O)(=O)N1CC(C(=O)NCc2nc3ccccc3[nH]2)C1 ZINC000070817954 190918855 /nfs/dbraw/zinc/91/88/55/190918855.db2.gz VQCBNXPTVHHSKY-UHFFFAOYSA-N 0 0 308.363 0.071 50 0 DCAARN CNS(=O)(=O)CC(=O)NCCc1c[nH]c2cc(C)ccc12 ZINC000083601376 192375763 /nfs/dbraw/zinc/37/57/63/192375763.db2.gz ZNNFWNMLMYUPRD-UHFFFAOYSA-N 0 0 309.391 0.684 50 0 DCAARN COc1ccc(-c2nnc(CNS(=O)(=O)N(C)C)[nH]2)cc1 ZINC000083851278 192386463 /nfs/dbraw/zinc/38/64/63/192386463.db2.gz JVOZYFVNKNGBNG-UHFFFAOYSA-N 0 0 311.367 0.376 50 0 DCAARN Cc1cc(C)n(CC(=O)N2CCO[C@@H](C(F)(F)F)C2)c(=O)n1 ZINC000071768068 191028939 /nfs/dbraw/zinc/02/89/39/191028939.db2.gz IYQQAJDKLZWHDR-SNVBAGLBSA-N 0 0 319.283 0.650 50 0 DCAARN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCCN(CC(N)=O)CC1 ZINC000071829396 191031722 /nfs/dbraw/zinc/03/17/22/191031722.db2.gz GWDLZEVNXGJMSC-GFCCVEGCSA-N 0 0 323.368 0.613 50 0 DCAARN Cc1nc(SCC(=O)N2CCC[C@]3(CNC(=O)O3)C2)n[nH]1 ZINC000072127276 191043280 /nfs/dbraw/zinc/04/32/80/191043280.db2.gz NOQVQDKGPFHXDG-LBPRGKRZSA-N 0 0 311.367 0.306 50 0 DCAARN CC(C)CN1CCN(CC(=O)Nc2cnn(C)c2)[C@H](C)C1=O ZINC000072159292 191061868 /nfs/dbraw/zinc/06/18/68/191061868.db2.gz MJAPQEHPHWNTMW-GFCCVEGCSA-N 0 0 307.398 0.547 50 0 DCAARN CC1(C)C(=O)NC(=O)N1CC(=O)N1CC(c2cccnc2)C1 ZINC000072157255 191061514 /nfs/dbraw/zinc/06/15/14/191061514.db2.gz LOZWDJDUJWPBNS-UHFFFAOYSA-N 0 0 302.334 0.338 50 0 DCAARN CCCN1C(=O)N[C@H](CC(=O)N2CC(c3ccncc3)C2)C1=O ZINC000072161899 191062730 /nfs/dbraw/zinc/06/27/30/191062730.db2.gz TYOUQLYYUUOHSI-CYBMUJFWSA-N 0 0 316.361 0.728 50 0 DCAARN CN1C[C@@]2(CCN(CC(=O)NCc3ccccn3)C2)OC1=O ZINC000072163420 191063159 /nfs/dbraw/zinc/06/31/59/191063159.db2.gz JKIBUXLYTBBQPP-OAHLLOKOSA-N 0 0 304.350 0.224 50 0 DCAARN C[N@@H+]1CC2(C[C@H]1C(=O)[O-])CCN(c1ncnc3nc[nH]c31)CC2 ZINC000072164071 191063386 /nfs/dbraw/zinc/06/33/86/191063386.db2.gz AFAKDQHFWBXJAC-JTQLQIEISA-N 0 0 316.365 0.728 50 0 DCAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1)NCCCO ZINC000072167570 191066768 /nfs/dbraw/zinc/06/67/68/191066768.db2.gz COVRUPUGZCDRNG-CQSZACIVSA-N 0 0 323.368 0.015 50 0 DCAARN COCCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000072237980 191081570 /nfs/dbraw/zinc/08/15/70/191081570.db2.gz XESXTBDYLAMSMA-CABCVRRESA-N 0 0 306.362 0.738 50 0 DCAARN CN(CC(=O)NCc1ncc[nH]1)S(=O)(=O)c1ccccc1 ZINC000072283634 191103661 /nfs/dbraw/zinc/10/36/61/191103661.db2.gz XMBWFDPJURPLAO-UHFFFAOYSA-N 0 0 308.363 0.347 50 0 DCAARN Cn1nc2c(cc1=O)CN(Cc1nc3ccccc3c(=O)[nH]1)CC2 ZINC000072302394 191115740 /nfs/dbraw/zinc/11/57/40/191115740.db2.gz YLIYWGREFNJFFR-UHFFFAOYSA-N 0 0 323.356 0.575 50 0 DCAARN Cc1cc2n(CCNS(=O)(=O)c3cn(C)c(C)n3)ccn2n1 ZINC000225580453 186280035 /nfs/dbraw/zinc/28/00/35/186280035.db2.gz HRWQVEBMTOQAKM-UHFFFAOYSA-N 0 0 322.394 0.465 50 0 DCAARN CN(CC(N)=O)C[C@@H]1CN(c2ccnc3ccncc32)CCO1 ZINC000253397853 186306471 /nfs/dbraw/zinc/30/64/71/186306471.db2.gz DLUHLFOYUMQAJN-GFCCVEGCSA-N 0 0 315.377 0.252 50 0 DCAARN COc1nc(N2CCN(C(C)=O)CC2)ncc1Br ZINC000072312181 191119919 /nfs/dbraw/zinc/11/99/19/191119919.db2.gz XZQQTUIDHJYVHT-UHFFFAOYSA-N 0 0 315.171 0.916 50 0 DCAARN CC(C)OCCS(=O)(=O)NCC(=O)N(C)c1ccccc1 ZINC000072311357 191119372 /nfs/dbraw/zinc/11/93/72/191119372.db2.gz JHLIBYFTVVCHAI-UHFFFAOYSA-N 0 0 314.407 0.994 50 0 DCAARN NC(=O)N1CCC[C@H](C(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000072411326 191153476 /nfs/dbraw/zinc/15/34/76/191153476.db2.gz MJPFMEGXFRZJBW-LBPRGKRZSA-N 0 0 305.382 0.906 50 0 DCAARN Cc1cn(CC(=O)N2CCC[C@@H]2c2ccccn2)c(=O)[nH]c1=O ZINC000072472922 191175881 /nfs/dbraw/zinc/17/58/81/191175881.db2.gz BVBCMAWPZVEQGS-CYBMUJFWSA-N 0 0 314.345 0.604 50 0 DCAARN O=C(c1ccncn1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 ZINC000072475033 191176662 /nfs/dbraw/zinc/17/66/62/191176662.db2.gz LOPDUCOXFRIIDO-GXTWGEPZSA-N 0 0 318.377 0.312 50 0 DCAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCNC(=O)C2)c1 ZINC000072524898 191187162 /nfs/dbraw/zinc/18/71/62/191187162.db2.gz NRTLSYVELIBGNZ-UHFFFAOYSA-N 0 0 316.766 0.316 50 0 DCAARN COc1ccc(CCNC(=O)[C@H]2CCCNC2=O)cc1OC ZINC000000192352 180720966 /nfs/dbraw/zinc/72/09/66/180720966.db2.gz FUKPEBXJUWRWPV-LBPRGKRZSA-N 0 0 306.362 0.889 50 0 DCAARN O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccco1 ZINC000000424160 180784992 /nfs/dbraw/zinc/78/49/92/180784992.db2.gz PZWHYDLARZAJAY-UHFFFAOYSA-N 0 0 313.313 0.989 50 0 DCAARN CCc1cnc(CCNS(=O)(=O)c2cnn(C)c2)s1 ZINC000173810335 198254954 /nfs/dbraw/zinc/25/49/54/198254954.db2.gz FRCPBUIHQNUTBP-UHFFFAOYSA-N 0 0 300.409 0.960 50 0 DCAARN CCc1nsc(N2CCN(C(=O)Cc3cnn(C)c3)CC2)n1 ZINC000174254461 198311441 /nfs/dbraw/zinc/31/14/41/198311441.db2.gz YDJQSGAXXQDECC-UHFFFAOYSA-N 0 0 320.422 0.725 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H]2CCCO2)[C@@H](C)CN1C(=O)[C@@H]1CCCO1 ZINC000002749899 180952507 /nfs/dbraw/zinc/95/25/07/180952507.db2.gz NCRJFOUCNRHDNJ-CRWXNKLISA-N 0 0 310.394 0.792 50 0 DCAARN O=C(COC(=O)Cn1cncn1)Nc1ccc2c(c1)OCO2 ZINC000003304115 181002306 /nfs/dbraw/zinc/00/23/06/181002306.db2.gz OBDPPLKQQBKZCW-UHFFFAOYSA-N 0 0 304.262 0.189 50 0 DCAARN COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000170604017 291010977 /nfs/dbraw/zinc/01/09/77/291010977.db2.gz BXRKHINAZISOHO-TUAOUCFPSA-N 0 0 322.427 0.207 50 0 DCAARN O=C1c2cccc3c(NCCO)ccc(c32)C(=O)N1CCO ZINC000003897045 181054079 /nfs/dbraw/zinc/05/40/79/181054079.db2.gz HRPVEGFHVWDFAW-UHFFFAOYSA-N 0 0 300.314 0.832 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(OC)cc1 ZINC000004029739 181064315 /nfs/dbraw/zinc/06/43/15/181064315.db2.gz UCOQLQATWYYVSB-LBPRGKRZSA-N 0 0 321.333 0.591 50 0 biogenic DCAARN CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCc2ccccc21 ZINC000004101810 181073707 /nfs/dbraw/zinc/07/37/07/181073707.db2.gz ZHMOUTNSRXWUHD-CYBMUJFWSA-N 0 0 324.402 0.515 50 0 DCAARN NC(=O)Cn1c2ccccc2c(=O)n(CCc2ccccc2)c1=O ZINC000004176407 181081686 /nfs/dbraw/zinc/08/16/86/181081686.db2.gz WZAKJAOAAGDTEL-UHFFFAOYSA-N 0 0 323.352 0.891 50 0 DCAARN COc1ccc(N([C@H]2CCS(=O)(=O)C2)S(C)(=O)=O)cc1 ZINC000004158637 181079692 /nfs/dbraw/zinc/07/96/92/181079692.db2.gz PETKWUXSVAYTGV-NSHDSACASA-N 0 0 319.404 0.648 50 0 DCAARN C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CC[C@H](O)[C@@H]3O5 ZINC000004216508 181085276 /nfs/dbraw/zinc/08/52/76/181085276.db2.gz AABLHGPVOULICI-BRJGLHKUSA-N 0 0 303.358 0.537 50 0 in-man DCAARN CCN1CCN(CC(=O)Nc2ccc(C)cc2C)C(=O)C1=O ZINC000004326263 181097733 /nfs/dbraw/zinc/09/77/33/181097733.db2.gz VIOKHRDAODBZOI-UHFFFAOYSA-N 0 0 303.362 0.933 50 0 DCAARN CCOC(=O)C(O)(C(=O)OCC)C1=C(O)c2ccccc2C1 ZINC000004324252 181098221 /nfs/dbraw/zinc/09/82/21/181098221.db2.gz OTQQSTUGEMBGOU-GFCCVEGCSA-N 0 0 306.314 0.899 50 0 DCAARN C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000004337615 181099173 /nfs/dbraw/zinc/09/91/73/181099173.db2.gz ZCIRFVWGGMMUKC-SNVBAGLBSA-N 0 0 323.374 0.124 50 0 DCAARN O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC(O)CC1 ZINC000004359846 181102747 /nfs/dbraw/zinc/10/27/47/181102747.db2.gz YKFLKFYXXFYICO-GFCCVEGCSA-N 0 0 303.362 0.958 50 0 DCAARN CCOC(=O)c1ccccc1NC(=O)C[C@@H]1NCCNC1=O ZINC000004539073 181122007 /nfs/dbraw/zinc/12/20/07/181122007.db2.gz OIPAFJCKSWLIMI-LBPRGKRZSA-N 0 0 305.334 0.280 50 0 DCAARN COc1cccc([C@H]2NC(=S)NC(C)=C2C(N)=O)c1OC ZINC000004574737 181125898 /nfs/dbraw/zinc/12/58/98/181125898.db2.gz KJZDTFYFYKUPIC-LLVKDONJSA-N 0 0 307.375 0.982 50 0 DCAARN O=C(OCCN1C(=O)c2ccccc2C1=O)C1=COCCO1 ZINC000004871310 181167061 /nfs/dbraw/zinc/16/70/61/181167061.db2.gz KIRUBXMLIBWZOM-UHFFFAOYSA-N 0 0 303.270 0.714 50 0 DCAARN CC(C)NS(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2 ZINC000004941048 181176472 /nfs/dbraw/zinc/17/64/72/181176472.db2.gz IURMATDSJOBZAU-UHFFFAOYSA-N 0 0 314.363 0.473 50 0 DCAARN COC(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000075158417 191436024 /nfs/dbraw/zinc/43/60/24/191436024.db2.gz FPPPXXSZHHFEES-GFCCVEGCSA-N 0 0 302.330 0.966 50 0 DCAARN O=C([C@@H]1CSc2ccccc2O1)N1CCN(CCO)CC1 ZINC000075604849 191497446 /nfs/dbraw/zinc/49/74/46/191497446.db2.gz UGOWQSIHILZFAH-ZDUSSCGKSA-N 0 0 308.403 0.676 50 0 DCAARN CCOCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000077343067 191696963 /nfs/dbraw/zinc/69/69/63/191696963.db2.gz GQJZWMSSEWRFAW-UHFFFAOYSA-N 0 0 308.382 0.149 50 0 DCAARN COc1cccc(CNC(=O)Cn2ncn3cccc3c2=O)c1 ZINC000005135770 181208254 /nfs/dbraw/zinc/20/82/54/181208254.db2.gz GSUHIZOJTILQOD-UHFFFAOYSA-N 0 0 312.329 0.821 50 0 DCAARN CCOC(=O)NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000005183533 181214604 /nfs/dbraw/zinc/21/46/04/181214604.db2.gz BLVFAKCRGNWTOK-UHFFFAOYSA-N 0 0 319.273 0.353 50 0 DCAARN OC[C@@H]1O[C@H](Nc2ccc(Br)cc2)[C@@H](O)[C@@H]1O ZINC000005223665 181218461 /nfs/dbraw/zinc/21/84/61/181218461.db2.gz ZRQCFZMEABNUFB-VLEAKVRGSA-N 0 0 304.140 0.300 50 0 DCAARN O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCOCC1 ZINC000005272539 181224779 /nfs/dbraw/zinc/22/47/79/181224779.db2.gz HXSWUZSCUARRFR-UHFFFAOYSA-N 0 0 324.358 0.080 50 0 DCAARN COCCNC(=O)CSc1nnnn1-c1ccccc1C ZINC000005352292 181233762 /nfs/dbraw/zinc/23/37/62/181233762.db2.gz RSUCCXYQKVUVSE-UHFFFAOYSA-N 0 0 307.379 0.825 50 0 DCAARN Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OCC(N)=O)n1 ZINC000005562131 181257759 /nfs/dbraw/zinc/25/77/59/181257759.db2.gz RYQXWASWWOSBQL-UHFFFAOYSA-N 0 0 313.317 0.113 50 0 DCAARN CCOC(=O)C1=C(COC(=O)c2cc(C)no2)NC(=O)N[C@H]1C ZINC000005565938 181257810 /nfs/dbraw/zinc/25/78/10/181257810.db2.gz GAMZYHSXIOOLAW-QMMMGPOBSA-N 0 0 323.305 0.658 50 0 DCAARN CN(C(=O)CSc1ccccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000005622380 181264522 /nfs/dbraw/zinc/26/45/22/181264522.db2.gz PUQJOLAJFCQOBZ-SNVBAGLBSA-N 0 0 300.405 0.819 50 0 DCAARN CN1C[C@]2(CCCN(C(=O)CCn3cnnc3)CC2)OC1=O ZINC000072158508 283252665 /nfs/dbraw/zinc/25/26/65/283252665.db2.gz DIXPADMSEQDVQM-CQSZACIVSA-N 0 0 307.354 0.502 50 0 DCAARN C[C@@H]1CN(C)c2ccccc2N(C(=O)CN2CCNCC2=O)C1 ZINC000237397124 202254825 /nfs/dbraw/zinc/25/48/25/202254825.db2.gz IHFKEOIHMWOPAX-CYBMUJFWSA-N 0 0 316.405 0.537 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)CCN1 ZINC000237429626 202264076 /nfs/dbraw/zinc/26/40/76/202264076.db2.gz VSXGKCSHJZILSS-CYBMUJFWSA-N 0 0 320.418 0.914 50 0 DCAARN COc1ncc(C(=O)N[C@H]2CCCN(C(=O)C3CC3)C2)cn1 ZINC000426658222 240353873 /nfs/dbraw/zinc/35/38/73/240353873.db2.gz LBHWESBZMNGAJN-LBPRGKRZSA-N 0 0 304.350 0.616 50 0 DCAARN Cn1ccnc1-c1ccc(C(=O)NCCNS(C)(=O)=O)cc1 ZINC000426661872 240354641 /nfs/dbraw/zinc/35/46/41/240354641.db2.gz AAGXKDNKXSZABH-UHFFFAOYSA-N 0 0 322.390 0.366 50 0 DCAARN CCOc1ccccc1OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000005987500 181303773 /nfs/dbraw/zinc/30/37/73/181303773.db2.gz JDQQGHUAUMUBOU-LLVKDONJSA-N 0 0 313.375 0.767 50 0 DCAARN C[C@H](NC(=O)[C@@H]1CNC(=O)N1)c1nc(-c2ccc(F)cc2)no1 ZINC000089913664 192904449 /nfs/dbraw/zinc/90/44/49/192904449.db2.gz UAMFINACYAIVGI-XVKPBYJWSA-N 0 0 319.296 0.734 50 0 DCAARN COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1cnccn1 ZINC000006486299 181345138 /nfs/dbraw/zinc/34/51/38/181345138.db2.gz SSVOPZMDJUPODE-UHFFFAOYSA-N 0 0 315.285 0.599 50 0 DCAARN CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1COc2ccccc2O1 ZINC000006612338 181360737 /nfs/dbraw/zinc/36/07/37/181360737.db2.gz OKAPATYHJOVFJD-SKDRFNHKSA-N 0 0 322.317 0.604 50 0 DCAARN COC(=O)c1ccc(/C=C/C(=O)OCC(=O)NC(N)=O)cc1 ZINC000006602290 181360024 /nfs/dbraw/zinc/36/00/24/181360024.db2.gz OUHFOSKLYGVMOU-QPJJXVBHSA-N 0 0 306.274 0.225 50 0 DCAARN CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2ccco2)CC1 ZINC000006746531 181381825 /nfs/dbraw/zinc/38/18/25/181381825.db2.gz RASGOKZZIQLSRQ-NSHDSACASA-N 0 0 323.349 0.699 50 0 DCAARN COC[C@]1(O)CCN(C(=O)CN2CCCCC2=O)CC1(C)C ZINC000091327036 193041948 /nfs/dbraw/zinc/04/19/48/193041948.db2.gz DGVLSOLCTDFICS-MRXNPFEDSA-N 0 0 312.410 0.635 50 0 DCAARN Cc1ccc(N2C(=O)C[C@H](N[C@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000091393915 193051041 /nfs/dbraw/zinc/05/10/41/193051041.db2.gz MPVACWMXHVRPFD-AAEUAGOBSA-N 0 0 322.386 0.404 50 0 DCAARN COCCN1CCC[C@]2(CCN(c3cc(OC)ncn3)C2)C1=O ZINC000091493494 193063851 /nfs/dbraw/zinc/06/38/51/193063851.db2.gz PSTOPHPLXFWWCA-MRXNPFEDSA-N 0 0 320.393 0.951 50 0 DCAARN CC(C)(C)N1C[C@@H](C(=O)NCc2cn3cccnc3n2)CC1=O ZINC000091643245 193083505 /nfs/dbraw/zinc/08/35/05/193083505.db2.gz GLHBHOGWQAPZPI-NSHDSACASA-N 0 0 315.377 0.993 50 0 DCAARN COc1ccc2c(c1)OC[C@H](CNC(=O)c1c[nH]c(=O)cn1)C2 ZINC000091655913 193086226 /nfs/dbraw/zinc/08/62/26/193086226.db2.gz VRFWRTNYIQTZST-JTQLQIEISA-N 0 0 315.329 0.760 50 0 DCAARN O=C(CC(F)(F)F)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 ZINC000091708238 193096014 /nfs/dbraw/zinc/09/60/14/193096014.db2.gz DMMHXYUBVMSJEJ-GHMZBOCLSA-N 0 0 310.316 0.338 50 0 DCAARN CN(Cc1ccc2ccccc2n1)C(=O)CN1C(=O)CNC1=O ZINC000091746646 193100898 /nfs/dbraw/zinc/10/08/98/193100898.db2.gz PNXWNHZTZMUBCV-UHFFFAOYSA-N 0 0 312.329 0.745 50 0 DCAARN CC(=O)N[C@@H]1CN(C(=O)N2CCOCC2)C[C@H]1c1ccc(C)o1 ZINC000091746340 193100933 /nfs/dbraw/zinc/10/09/33/193100933.db2.gz FBANTYGTHOHMEC-ZIAGYGMSSA-N 0 0 321.377 0.944 50 0 DCAARN CC(C)NC(=O)c1ccnc(N2CCC3(CC2)[C@H](O)C[C@@H]3O)c1 ZINC000091621111 193080585 /nfs/dbraw/zinc/08/05/85/193080585.db2.gz AEUSNURJGRMRLU-OKILXGFUSA-N 0 0 319.405 0.932 50 0 DCAARN CNc1ncc(C(=O)N2CCC[C@](CO)(CCOC)C2)cn1 ZINC000091755422 193102372 /nfs/dbraw/zinc/10/23/72/193102372.db2.gz QJMILOMQTSOEIY-HNNXBMFYSA-N 0 0 308.382 0.770 50 0 DCAARN CSc1ncc(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)n1C ZINC000091770752 193104728 /nfs/dbraw/zinc/10/47/28/193104728.db2.gz CAYURDRZTVWPLA-SECBINFHSA-N 0 0 311.411 0.549 50 0 DCAARN CC(C)[C@H]1C[N@H+](CCCC(=O)[O-])C[C@@H]1NC(=O)c1cnn(C)c1 ZINC000091974407 193134525 /nfs/dbraw/zinc/13/45/25/193134525.db2.gz SYLFXWPMKRBKDY-KGLIPLIRSA-N 0 0 322.409 0.971 50 0 DCAARN CN1CCC[C@@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1=O ZINC000091985812 193135824 /nfs/dbraw/zinc/13/58/24/193135824.db2.gz SIQVTHWCSINXMY-INIZCTEOSA-N 0 0 303.362 0.319 50 0 DCAARN O=C(c1ccc2n[nH]nc2c1)N1CCN(Cc2nc[nH]n2)CC1 ZINC000216003951 201477768 /nfs/dbraw/zinc/47/77/68/201477768.db2.gz BVOJPXOSLWIPSE-UHFFFAOYSA-N 0 0 312.337 0.034 50 0 DCAARN COCCC[C@]1(CO)CCCN(C(=O)CN2CCCC2=O)C1 ZINC000092098044 193157305 /nfs/dbraw/zinc/15/73/05/193157305.db2.gz XIEMBCXMKYCRKH-MRXNPFEDSA-N 0 0 312.410 0.637 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)NCCCc1cccnc1 ZINC000219039908 201548720 /nfs/dbraw/zinc/54/87/20/201548720.db2.gz XQEOWWHOHPZARW-ZDUSSCGKSA-N 0 0 311.407 0.554 50 0 DCAARN CCN(CC)S(=O)(=O)N[C@@H](c1cnn(C)c1)C1CC(O)C1 ZINC000220297210 201574634 /nfs/dbraw/zinc/57/46/34/201574634.db2.gz BWKFTPSSOQOHSZ-KGPNIALWSA-N 0 0 316.427 0.408 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1cnc[nH]1 ZINC000223557463 201647694 /nfs/dbraw/zinc/64/76/94/201647694.db2.gz TWRFICRXWGDANU-TZMCWYRMSA-N 0 0 302.334 0.909 50 0 DCAARN Cc1cnc(C)c(N2CCN(C(=O)CN3CCOC3=O)CC2)n1 ZINC000223375776 201642619 /nfs/dbraw/zinc/64/26/19/201642619.db2.gz SLHRAXVSCGNFSB-UHFFFAOYSA-N 0 0 319.365 0.194 50 0 DCAARN CCOc1ccccc1CCNC(=O)N1CC(NC(=O)NC)C1 ZINC000252494795 202849791 /nfs/dbraw/zinc/84/97/91/202849791.db2.gz OFEXJFCIFGGVFR-UHFFFAOYSA-N 0 0 320.393 0.951 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cccc(-n2cccn2)c1 ZINC000093103016 193204781 /nfs/dbraw/zinc/20/47/81/193204781.db2.gz DDGYNJBPQVVMSH-CABCVRRESA-N 0 0 301.346 0.981 50 0 DCAARN COc1ccccc1CCNC(=O)CN1C(=O)N[C@H](C)C1=O ZINC000095947363 193454937 /nfs/dbraw/zinc/45/49/37/193454937.db2.gz HQNWTOGFXCORFB-SNVBAGLBSA-N 0 0 305.334 0.294 50 0 DCAARN CN(C)C(=O)N1CCC[C@@H](C(=O)N(C)Cc2cnc(N)nc2)C1 ZINC000095377311 193437538 /nfs/dbraw/zinc/43/75/38/193437538.db2.gz DBFNLXCWFGHECN-GFCCVEGCSA-N 0 0 320.397 0.411 50 0 DCAARN O=C(CCc1nc(=O)c2c3c(sc2[nH]1)CCC3)N1CC(O)C1 ZINC000095967822 193465726 /nfs/dbraw/zinc/46/57/26/193465726.db2.gz ZBMRHYXAAMPSBE-UHFFFAOYSA-N 0 0 319.386 0.609 50 0 DCAARN CCNC(=O)CNC(=O)CSc1nnc(NC(C)C)s1 ZINC000009337121 181615191 /nfs/dbraw/zinc/61/51/91/181615191.db2.gz LQOVJWTXGMFJCT-UHFFFAOYSA-N 0 0 317.440 0.703 50 0 DCAARN Cn1cnn(CC(=O)Nc2ccnn2Cc2ccsc2)c1=O ZINC000096496936 193671633 /nfs/dbraw/zinc/67/16/33/193671633.db2.gz ZHXSFSMELRZJEG-UHFFFAOYSA-N 0 0 318.362 0.527 50 0 DCAARN C[C@H]1C(=O)NCCN1C(=O)CCCS(=O)(=O)c1ccccc1 ZINC000012443712 181763686 /nfs/dbraw/zinc/76/36/86/181763686.db2.gz PYGOSMVOAYZOOA-LBPRGKRZSA-N 0 0 324.402 0.587 50 0 DCAARN O=C(NC1CCC(NC(=O)[C@@H]2CCCO2)CC1)[C@H]1CCCO1 ZINC000013153664 181835068 /nfs/dbraw/zinc/83/50/68/181835068.db2.gz NGJSKOHPBMYWQM-LLZFXZEUSA-N 0 0 310.394 0.888 50 0 DCAARN COCCNC(=O)c1nnc(Cc2ccc3c(c2)OCO3)o1 ZINC000013364110 181846536 /nfs/dbraw/zinc/84/65/36/181846536.db2.gz WHBYZMYJEGKCPP-UHFFFAOYSA-N 0 0 305.290 0.765 50 0 DCAARN CC(C)NC(=O)CNC(=O)CCn1c2ccccc2n(C)c1=O ZINC000014312344 181948661 /nfs/dbraw/zinc/94/86/61/181948661.db2.gz MXRZFOKYBKBSNY-UHFFFAOYSA-N 0 0 318.377 0.371 50 0 DCAARN O=C(NCc1n[nH]c(=O)c2ccccc12)C(=O)N1CCCCC1 ZINC000015728937 182013818 /nfs/dbraw/zinc/01/38/18/182013818.db2.gz FCHATUGURHTZBQ-UHFFFAOYSA-N 0 0 314.345 0.552 50 0 DCAARN CCOC(=O)c1c[nH]nc1S(=O)(=O)NCc1ccccn1 ZINC000016842609 182061626 /nfs/dbraw/zinc/06/16/26/182061626.db2.gz XEBMNYGKHWVXFV-UHFFFAOYSA-N 0 0 310.335 0.460 50 0 DCAARN CN1C(=O)[C@@H](CC(=O)NCc2ccc(F)c(F)c2)N(C)C1=O ZINC000097447119 193721528 /nfs/dbraw/zinc/72/15/28/193721528.db2.gz JHMFZLHXZTYTBQ-LLVKDONJSA-N 0 0 311.288 0.864 50 0 DCAARN CCOc1ccc(-n2nnnc2CNS(=O)(=O)CC)cc1 ZINC000017315310 182082863 /nfs/dbraw/zinc/08/28/63/182082863.db2.gz RDWXKLCRXCODQP-UHFFFAOYSA-N 0 0 311.367 0.500 50 0 DCAARN COC(=O)c1sc(N)c(C(=O)OC)c1CN1CCOCC1 ZINC000019229927 182108757 /nfs/dbraw/zinc/10/87/57/182108757.db2.gz VELDRMMMUHREEL-UHFFFAOYSA-N 0 0 314.363 0.736 50 0 DCAARN Cn1c(=O)c2ccccc2nc1SCC(=O)Nc1nc[nH]n1 ZINC000019850637 182157657 /nfs/dbraw/zinc/15/76/57/182157657.db2.gz LVMHHCWEJNWLKF-UHFFFAOYSA-N 0 0 316.346 0.782 50 0 DCAARN COc1ccc(N2C[C@H](C(=O)N3CCN(C)CC3)CC2=O)cc1 ZINC000019928771 182166113 /nfs/dbraw/zinc/16/61/13/182166113.db2.gz FSHAUEUMDBITQL-CYBMUJFWSA-N 0 0 317.389 0.822 50 0 DCAARN O=C(NCCN1CCOCC1)c1cc2ccccc2oc1=O ZINC000020085915 182185957 /nfs/dbraw/zinc/18/59/57/182185957.db2.gz PNUUMNMNQPEBBR-UHFFFAOYSA-N 0 0 302.330 0.855 50 0 DCAARN O=S(=O)(Cc1ccc(F)cc1)NCCN1CCOCC1 ZINC000020683638 182243056 /nfs/dbraw/zinc/24/30/56/182243056.db2.gz GXRLCZHAOBNMKZ-UHFFFAOYSA-N 0 0 302.371 0.577 50 0 DCAARN COC(=O)[C@H](CC(C)C)NC(=O)c1cccc(-n2cnnn2)c1 ZINC000020716966 182243791 /nfs/dbraw/zinc/24/37/91/182243791.db2.gz MFGWCFKFCISGMA-ZDUSSCGKSA-N 0 0 317.349 0.980 50 0 DCAARN Nc1nnnn1CC(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000020601080 182236341 /nfs/dbraw/zinc/23/63/41/182236341.db2.gz AHUWZDBKWXLDFI-UHFFFAOYSA-N 0 0 302.313 0.710 50 0 DCAARN CCOC(=O)c1noc2ncnc(N(C)CC(OC)OC)c21 ZINC000020858682 182250066 /nfs/dbraw/zinc/25/00/66/182250066.db2.gz RQPXGEWQPMQRJK-UHFFFAOYSA-N 0 0 310.310 0.850 50 0 DCAARN Cn1cc(Cl)cc1C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000021475106 182274351 /nfs/dbraw/zinc/27/43/51/182274351.db2.gz FDOCCTWZRQDFNS-UHFFFAOYSA-N 0 0 310.741 0.493 50 0 DCAARN CCc1ccc(-n2nc(CO)c(C(=O)N[C@H](CC)CO)n2)cc1 ZINC000021173203 182268485 /nfs/dbraw/zinc/26/84/85/182268485.db2.gz CXOAIGZKMPZZEC-GFCCVEGCSA-N 0 0 318.377 0.823 50 0 DCAARN CCN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1ccco1 ZINC000021921973 182298231 /nfs/dbraw/zinc/29/82/31/182298231.db2.gz BZLLLPLIURXTCR-UHFFFAOYSA-N 0 0 309.366 0.773 50 0 DCAARN CCOCCCNC(=O)Cn1c2ccccc2n(C)c(=O)c1=O ZINC000021943701 182299489 /nfs/dbraw/zinc/29/94/89/182299489.db2.gz NIBPMEHGNUSAGQ-UHFFFAOYSA-N 0 0 319.361 0.243 50 0 DCAARN Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])N2CC[NH2+]CC2)c(C)c1 ZINC000022461858 182322000 /nfs/dbraw/zinc/32/20/00/182322000.db2.gz JRWHLCRBVLSWNE-AWEZNQCLSA-N 0 0 305.378 0.990 50 0 DCAARN Cc1cc(C)cc(NC(=O)C[C@@H](C(=O)[O-])N2CC[NH2+]CC2)c1 ZINC000022466432 182323009 /nfs/dbraw/zinc/32/30/09/182323009.db2.gz MHHQABMPWPCNJD-AWEZNQCLSA-N 0 0 305.378 0.990 50 0 DCAARN C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCN(CCO)CC1 ZINC000022943180 182343407 /nfs/dbraw/zinc/34/34/07/182343407.db2.gz ZZWRGPPDYCTYEJ-CQSZACIVSA-N 0 0 323.412 0.483 50 0 DCAARN COCCNC(=O)NC(=O)CNc1ccc(C(=O)OC)cc1C ZINC000022957856 182343543 /nfs/dbraw/zinc/34/35/43/182343543.db2.gz JNNAVPQTQPYBGL-UHFFFAOYSA-N 0 0 323.349 0.666 50 0 DCAARN CCc1cnc2c(c1N[C@H](C)COC)c(=O)n(C)c(=O)n2C ZINC000022767712 182334366 /nfs/dbraw/zinc/33/43/66/182334366.db2.gz NCLSDFHZFGYBJK-SECBINFHSA-N 0 0 306.366 0.641 50 0 DCAARN CNC(=O)NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022801461 182335953 /nfs/dbraw/zinc/33/59/53/182335953.db2.gz ODESJWXKFAJZQF-UHFFFAOYSA-N 0 0 324.812 0.913 50 0 DCAARN CCONC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000022874226 182338313 /nfs/dbraw/zinc/33/83/13/182338313.db2.gz TWQRFPLTYTZIOB-JTQLQIEISA-N 0 0 306.318 0.878 50 0 DCAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ncn[nH]1 ZINC000023142348 182351301 /nfs/dbraw/zinc/35/13/01/182351301.db2.gz APEQDOVEGBLLMX-NSHDSACASA-N 0 0 305.313 0.759 50 0 DCAARN COc1cc(OC)c(OC)cc1CNC(=O)CN1CCOCC1 ZINC000023695922 182366740 /nfs/dbraw/zinc/36/67/40/182366740.db2.gz AEBQDXSOOSJBRI-UHFFFAOYSA-N 0 0 324.377 0.661 50 0 DCAARN CS(=O)(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000024777204 182390598 /nfs/dbraw/zinc/39/05/98/182390598.db2.gz ZIHXMGGGYCIQEF-UHFFFAOYSA-N 0 0 300.355 0.933 50 0 DCAARN Cn1ccc(NC(=O)CNC2=NS(=O)(=O)c3ccccc32)n1 ZINC000024472552 182381798 /nfs/dbraw/zinc/38/17/98/182381798.db2.gz WAWMEEOJPHAEGO-UHFFFAOYSA-N 0 0 319.346 0.097 50 0 DCAARN CNc1snc(C)c1C(=O)O[C@H](C)C(=O)N1CCNC1=O ZINC000024535142 182382421 /nfs/dbraw/zinc/38/24/21/182382421.db2.gz OEERQHVULOJFRD-SSDOTTSWSA-N 0 0 312.351 0.590 50 0 DCAARN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCCC1 ZINC000024583481 182384614 /nfs/dbraw/zinc/38/46/14/182384614.db2.gz BUCWCQLWGMQEIF-UHFFFAOYSA-N 0 0 313.357 0.681 50 0 DCAARN CCCCN(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000024661535 182386759 /nfs/dbraw/zinc/38/67/59/182386759.db2.gz CYSJHVQJYLYELO-UHFFFAOYSA-N 0 0 304.350 0.504 50 0 DCAARN NC(=O)N1CCC[C@@H](C(=O)Nc2cccnc2-n2cccn2)C1 ZINC000025010872 182398991 /nfs/dbraw/zinc/39/89/91/182398991.db2.gz TWCWOWHMCNWRSG-LLVKDONJSA-N 0 0 314.349 0.997 50 0 DCAARN CS(=O)(=O)N1CCCN(Cc2nnsc2Cl)CC1 ZINC000024924790 182395107 /nfs/dbraw/zinc/39/51/07/182395107.db2.gz DIQOIISVMXUMFI-UHFFFAOYSA-N 0 0 310.832 0.659 50 0 DCAARN C[C@H](Nc1ccc2c(c1)NC(=O)CO2)C(=O)N1CCNC1=O ZINC000025694739 182420621 /nfs/dbraw/zinc/42/06/21/182420621.db2.gz MZMRHVIRYNQXGL-QMMMGPOBSA-N 0 0 304.306 0.370 50 0 DCAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000030871130 182601137 /nfs/dbraw/zinc/60/11/37/182601137.db2.gz WFFUNBZKHXTHFA-SNVBAGLBSA-N 0 0 320.370 0.962 50 0 DCAARN Cn1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)n1 ZINC000100769181 193803606 /nfs/dbraw/zinc/80/36/06/193803606.db2.gz LRCYVDNBBQLNJZ-PHIMTYICSA-N 0 0 302.334 0.700 50 0 DCAARN COCCNC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1F ZINC000032937282 182683681 /nfs/dbraw/zinc/68/36/81/182683681.db2.gz CZZBOIGJGZJLHU-QMMMGPOBSA-N 0 0 307.318 0.890 50 0 DCAARN C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CCO1 ZINC000036075941 182795077 /nfs/dbraw/zinc/79/50/77/182795077.db2.gz DUGIUZLKKLQWBD-JTQLQIEISA-N 0 0 310.375 0.615 50 0 DCAARN O=CN1CCN(c2c(=O)c(=O)c2NC2CCCCCC2)CC1 ZINC000101697543 193836809 /nfs/dbraw/zinc/83/68/09/193836809.db2.gz TVOFUJUEWOEELW-UHFFFAOYSA-N 0 0 305.378 0.696 50 0 DCAARN CC(=O)N1CCC(NS(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000037984295 182953538 /nfs/dbraw/zinc/95/35/38/182953538.db2.gz LXOBFZBTIONQGM-UHFFFAOYSA-N 0 0 320.802 0.363 50 0 DCAARN CCN(CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O)c1ccccc1 ZINC000040468735 183073652 /nfs/dbraw/zinc/07/36/52/183073652.db2.gz ONSJKZLMRQGGRQ-UHFFFAOYSA-N 0 0 316.361 0.848 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)CCOc2ccccc2)CC1 ZINC000040473112 183074482 /nfs/dbraw/zinc/07/44/82/183074482.db2.gz GSVQVWNVDCEXMR-UHFFFAOYSA-N 0 0 312.391 0.559 50 0 DCAARN CC(C)CN1C[C@H](C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000040502008 183084142 /nfs/dbraw/zinc/08/41/42/183084142.db2.gz DZFMLMPJJRFKEJ-VXGBXAGGSA-N 0 0 316.423 0.136 50 0 DCAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000040506289 183085343 /nfs/dbraw/zinc/08/53/43/183085343.db2.gz HSXJFEIXXPHZLJ-GFCCVEGCSA-N 0 0 304.346 0.895 50 0 DCAARN CCc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)o1 ZINC000040511116 183086684 /nfs/dbraw/zinc/08/66/84/183086684.db2.gz OLSGJNDZACLTMM-UHFFFAOYSA-N 0 0 300.380 0.996 50 0 DCAARN CCN(CC)S(=O)(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000040527205 183093654 /nfs/dbraw/zinc/09/36/54/183093654.db2.gz YFEKMGHIAJVCIJ-NSHDSACASA-N 0 0 301.416 0.581 50 0 DCAARN O=C(CS(=O)(=O)c1ccccc1)N[C@H]1CCCCNC1=O ZINC000040539967 183097233 /nfs/dbraw/zinc/09/72/33/183097233.db2.gz UGVAEZGNBCMYEN-LBPRGKRZSA-N 0 0 310.375 0.245 50 0 DCAARN CN(C)C(=O)CNC(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000040540471 183097306 /nfs/dbraw/zinc/09/73/06/183097306.db2.gz MRRSJFAIUIDUHR-UHFFFAOYSA-N 0 0 305.338 0.426 50 0 DCAARN C[C@H](C(=O)NCc1ccnc(-n2cccn2)c1)S(C)(=O)=O ZINC000040540837 183097996 /nfs/dbraw/zinc/09/79/96/183097996.db2.gz CGEBRGFZUQKYTF-SNVBAGLBSA-N 0 0 308.363 0.317 50 0 DCAARN Cn1cc(-c2nc(C(=O)N3CCC(C(N)=O)CC3)cs2)cn1 ZINC000040553232 183100333 /nfs/dbraw/zinc/10/03/33/183100333.db2.gz XEWBUYFBAHASTR-UHFFFAOYSA-N 0 0 319.390 0.881 50 0 DCAARN Cc1cc(C(=O)NCC(=O)NCCc2ccccc2)n(C)n1 ZINC000040757516 183129740 /nfs/dbraw/zinc/12/97/40/183129740.db2.gz OVOUVZFADRMQAR-UHFFFAOYSA-N 0 0 300.362 0.817 50 0 DCAARN CCCOc1ccc(S(=O)(=O)N(CCO)CCO)cc1C ZINC000041096550 183165159 /nfs/dbraw/zinc/16/51/59/183165159.db2.gz KDPFJXUCMWFEOZ-UHFFFAOYSA-N 0 0 317.407 0.759 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000041132197 183171196 /nfs/dbraw/zinc/17/11/96/183171196.db2.gz PTTPRFRXEBNUAY-VIFPVBQESA-N 0 0 317.267 0.970 50 0 DCAARN O=C(CCn1nnc2ccccc2c1=O)NC[C@@H]1CCOC1 ZINC000041371661 183187218 /nfs/dbraw/zinc/18/72/18/183187218.db2.gz NARGFTNZPBCHTM-NSHDSACASA-N 0 0 302.334 0.334 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccnc2)n(C)c1 ZINC000041976747 183227055 /nfs/dbraw/zinc/22/70/55/183227055.db2.gz GXFCCOGFWHCPGU-SNVBAGLBSA-N 0 0 322.390 0.819 50 0 DCAARN Cc1nnc(SCC(=O)N[C@@H]2CCCCNC2=O)s1 ZINC000042151996 183235392 /nfs/dbraw/zinc/23/53/92/183235392.db2.gz HMQVYNGMQKWTCL-MRVPVSSYSA-N 0 0 300.409 0.724 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)NCc2ccc3c(c2)OCCO3)C1 ZINC000043163022 183342186 /nfs/dbraw/zinc/34/21/86/183342186.db2.gz YCFWFXRGGLLDFP-NSHDSACASA-N 0 0 305.334 0.475 50 0 DCAARN CC(=O)N[C@@H](C(=O)NCc1nnc2n1CCC2)C1CCCC1 ZINC000043793029 183386492 /nfs/dbraw/zinc/38/64/92/183386492.db2.gz UZRRXRVUXYCGAD-CQSZACIVSA-N 0 0 305.382 0.535 50 0 DCAARN O=S(=O)(NCCOc1cccc(F)c1)N1CCOCC1 ZINC000044936099 183461463 /nfs/dbraw/zinc/46/14/63/183461463.db2.gz WCRVPXQOWLGUND-UHFFFAOYSA-N 0 0 304.343 0.371 50 0 DCAARN O=C(Cn1c(=O)[nH]c2c(-c3ccccc3)c[nH]c2c1=O)NC1CC1 ZINC000102434838 193888717 /nfs/dbraw/zinc/88/87/17/193888717.db2.gz CNXRAVSLFZOOLN-UHFFFAOYSA-N 0 0 324.340 0.964 50 0 DCAARN CCc1cccc(N2C[C@H](C(=O)N(C)CC(N)=O)CC2=O)c1 ZINC000046980107 183576468 /nfs/dbraw/zinc/57/64/68/183576468.db2.gz OFXGLSYAFBAFKR-GFCCVEGCSA-N 0 0 303.362 0.546 50 0 DCAARN O=C(NCc1ccnc(NC(=O)[C@@H]2CCCO2)c1)[C@@H]1CCCO1 ZINC000273413342 210753041 /nfs/dbraw/zinc/75/30/41/210753041.db2.gz WNDZRLYCKZBQLA-STQMWFEESA-N 0 0 319.361 0.994 50 0 DCAARN Cc1occc1C(=O)N1CCN(CCS(C)(=O)=O)CC1 ZINC000056513316 184014782 /nfs/dbraw/zinc/01/47/82/184014782.db2.gz ZJKDALUVDQQKAR-UHFFFAOYSA-N 0 0 300.380 0.390 50 0 DCAARN CS(=O)(=O)NCCNC(=O)/C=C\c1nc2ccccc2o1 ZINC000056635853 184016396 /nfs/dbraw/zinc/01/63/96/184016396.db2.gz LPKLWGDPOGVMLD-SREVYHEPSA-N 0 0 309.347 0.506 50 0 DCAARN CN(C)C(=O)COc1cc(C(=O)N2CCCCCC2)nn1C ZINC000057312701 184032952 /nfs/dbraw/zinc/03/29/52/184032952.db2.gz BSEYAEOFAUCYRL-UHFFFAOYSA-N 0 0 308.382 0.903 50 0 DCAARN CC[C@@H](C)NC(=O)c1cc(OCC(=O)N2CCCC2)n(C)n1 ZINC000057355335 184035064 /nfs/dbraw/zinc/03/50/64/184035064.db2.gz WPJYGLFTUZCFMV-LLVKDONJSA-N 0 0 308.382 0.950 50 0 DCAARN Cn1nc(C(=O)N2CCCC2)cc1OCC(=O)N1CCCC1 ZINC000057355332 184035288 /nfs/dbraw/zinc/03/52/88/184035288.db2.gz JDFCHGIFUAXEPH-UHFFFAOYSA-N 0 0 306.366 0.657 50 0 DCAARN Cc1cnc(NC(=O)c2cc(OCC(=O)N(C)C)n(C)n2)s1 ZINC000057355280 184035441 /nfs/dbraw/zinc/03/54/41/184035441.db2.gz QJRRRDQDYGNYDG-UHFFFAOYSA-N 0 0 323.378 0.904 50 0 DCAARN CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCOCC1 ZINC000057478178 184039873 /nfs/dbraw/zinc/03/98/73/184039873.db2.gz WTNDTFPNJQDXFD-UHFFFAOYSA-N 0 0 317.367 0.101 50 0 DCAARN O=C(CN1C(=O)NC2(CCOCC2)C1=O)NCc1ccccc1 ZINC000057947146 184063739 /nfs/dbraw/zinc/06/37/39/184063739.db2.gz OXBLBDNBTJXKCX-UHFFFAOYSA-N 0 0 317.345 0.404 50 0 DCAARN CNC(=O)c1cc(S(=O)(=O)N(C)c2ccccn2)cn1C ZINC000057986591 184064504 /nfs/dbraw/zinc/06/45/04/184064504.db2.gz MUKHKKIDIIBXRL-UHFFFAOYSA-N 0 0 308.363 0.605 50 0 DCAARN NC(=O)CN1CCCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC000058198182 184086918 /nfs/dbraw/zinc/08/69/18/184086918.db2.gz KKKMBNSWSBTNDU-UHFFFAOYSA-N 0 0 307.369 0.778 50 0 DCAARN CC/C=C(/C)C(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000058203260 184087449 /nfs/dbraw/zinc/08/74/49/184087449.db2.gz LIOGAVCBSWZRKP-JZMZOOAYSA-N 0 0 318.439 0.898 50 0 DCAARN COC(=O)C1(NC(=O)Cn2cccnc2=O)CCC(C)CC1 ZINC000058224464 184090251 /nfs/dbraw/zinc/09/02/51/184090251.db2.gz WLCADHNCWXVMLA-UHFFFAOYSA-N 0 0 307.350 0.481 50 0 DCAARN NC(=O)Cn1ccc(NCC(=O)NCc2ccc(Cl)cc2)n1 ZINC000058155804 184081678 /nfs/dbraw/zinc/08/16/78/184081678.db2.gz LQONZLROKOCPRD-UHFFFAOYSA-N 0 0 321.768 0.750 50 0 DCAARN CNC(=O)NC(=O)CNc1cccc(N2CCCC2=O)c1C ZINC000058159039 184082111 /nfs/dbraw/zinc/08/21/11/184082111.db2.gz QLIDLBFGQVFYQV-UHFFFAOYSA-N 0 0 304.350 0.989 50 0 DCAARN O=C(NCc1ccc(-n2cncn2)nc1)c1cn2cccnc2n1 ZINC000058161496 184082595 /nfs/dbraw/zinc/08/25/95/184082595.db2.gz HUMNGIBGLPBNHW-UHFFFAOYSA-N 0 0 320.316 0.635 50 0 DCAARN CCOC(=O)CCCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000058264330 184095567 /nfs/dbraw/zinc/09/55/67/184095567.db2.gz RDYODPGLQDARCE-PHIMTYICSA-N 0 0 308.400 0.273 50 0 DCAARN O=C(Cn1c(=O)onc1-c1ncccn1)NCc1ccccc1 ZINC000058293096 184101401 /nfs/dbraw/zinc/10/14/01/184101401.db2.gz JJRLWHUVOFVQSK-UHFFFAOYSA-N 0 0 311.301 0.610 50 0 DCAARN CCOCCO[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000058392969 184111778 /nfs/dbraw/zinc/11/17/78/184111778.db2.gz UPRAVWSKNRGBGP-OCCSQVGLSA-N 0 0 308.378 0.641 50 0 DCAARN COc1ccc(OC)c(C(=O)N[C@H](C)C(=O)N2CCOCC2)c1 ZINC000058406963 184114165 /nfs/dbraw/zinc/11/41/65/184114165.db2.gz AJZUPSPHYGFJQW-LLVKDONJSA-N 0 0 322.361 0.681 50 0 DCAARN CCNC(=O)CN1CCCN(C(=O)c2cccnc2OC)CC1 ZINC000060093111 184143952 /nfs/dbraw/zinc/14/39/52/184143952.db2.gz SQLUERKGTTZYIA-UHFFFAOYSA-N 0 0 320.393 0.374 50 0 DCAARN CCOC(=O)N1CCN(C(=O)c2cc(=O)c(OC)co2)CC1 ZINC000061719362 184185423 /nfs/dbraw/zinc/18/54/23/184185423.db2.gz MGNKOIMKDDZCCS-UHFFFAOYSA-N 0 0 310.306 0.563 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1CCOc1ccc(F)cc1 ZINC000063999981 184291444 /nfs/dbraw/zinc/29/14/44/184291444.db2.gz OFEUKNZUFMMHHX-ZDUSSCGKSA-N 0 0 310.325 0.568 50 0 DCAARN COCCNC(=O)[C@@H]1c2ccccc2CC(=O)N1CCOC ZINC000065170269 184313485 /nfs/dbraw/zinc/31/34/85/184313485.db2.gz GUQDSLMMRZHXCN-HNNXBMFYSA-N 0 0 306.362 0.521 50 0 DCAARN Cc1noc(C)c1CCC(=O)N1CCN2CCN(C)C(=O)[C@@H]2C1 ZINC000065388004 184334113 /nfs/dbraw/zinc/33/41/13/184334113.db2.gz QKZSOJAYTCOGGW-AWEZNQCLSA-N 0 0 320.393 0.209 50 0 DCAARN NC(=O)Cn1cc(NC(=O)N(C[C@H]2CCOC2)C2CC2)cn1 ZINC000065437103 184345366 /nfs/dbraw/zinc/34/53/66/184345366.db2.gz XYLKJLQDUSXPKE-SNVBAGLBSA-N 0 0 307.354 0.401 50 0 DCAARN CC(=O)N(C)[C@@H](C)C1=CCN(CC(=O)Nc2cnccn2)CC1 ZINC000065461305 184348908 /nfs/dbraw/zinc/34/89/08/184348908.db2.gz MIPKTSJTDNVAOD-LBPRGKRZSA-N 0 0 317.393 0.914 50 0 DCAARN NC(=O)[C@H](CNC(=O)c1cnns1)Cc1ccc(F)cc1 ZINC000065462510 184348962 /nfs/dbraw/zinc/34/89/62/184348962.db2.gz VGXNPORHGIXNIP-VIFPVBQESA-N 0 0 308.338 0.751 50 0 DCAARN CC(C)[C@@H](CNC(=O)N[C@@H](C)Cn1ccnc1)N1CCOCC1 ZINC000065399558 184336555 /nfs/dbraw/zinc/33/65/55/184336555.db2.gz RCNJRXSCGTYODO-LSDHHAIUSA-N 0 0 323.441 0.928 50 0 DCAARN CCOC(=O)CN(Cc1nc2c(cnn2C)c(=O)[nH]1)CC1CC1 ZINC000065403218 184337168 /nfs/dbraw/zinc/33/71/68/184337168.db2.gz WWUMFFGAACYCIA-UHFFFAOYSA-N 0 0 319.365 0.432 50 0 DCAARN CC(=O)N[C@@H](C)C1=CCCN(CC(=O)Nc2cnn(C)c2)C1 ZINC000065404929 184338166 /nfs/dbraw/zinc/33/81/66/184338166.db2.gz XAFHBDKOUQSSBU-NSHDSACASA-N 0 0 305.382 0.515 50 0 DCAARN Cc1nnc(CN2CCc3ncnc(N4CCOCC4)c3C2)o1 ZINC000065520592 184359239 /nfs/dbraw/zinc/35/92/39/184359239.db2.gz MKXBCLQBFNSJAZ-UHFFFAOYSA-N 0 0 316.365 0.563 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](NC(=O)CSc2ccncc2)CN1C ZINC000065530325 184360819 /nfs/dbraw/zinc/36/08/19/184360819.db2.gz WZCPUFRZCILKSG-PWSUYJOCSA-N 0 0 309.391 0.536 50 0 DCAARN Cc1nc(CCNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)cc(=O)[nH]1 ZINC000065530616 184361074 /nfs/dbraw/zinc/36/10/74/184361074.db2.gz NDLULEDPWZXUNI-LBPRGKRZSA-N 0 0 320.393 0.242 50 0 DCAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)[C@@H]1CCC(=O)N1 ZINC000065590684 184370029 /nfs/dbraw/zinc/37/00/29/184370029.db2.gz SXIIXDPQLOBXFU-NWDGAFQWSA-N 0 0 323.418 0.516 50 0 DCAARN O=C1CNC(=O)N1CCCN1CCO[C@H](c2nccs2)C1 ZINC000065594024 184371059 /nfs/dbraw/zinc/37/10/59/184371059.db2.gz YIMMARWULLWEIB-JTQLQIEISA-N 0 0 310.379 0.458 50 0 DCAARN CCc1noc(CN2CCN(CC(=O)N[C@H](C)CC)CC2)n1 ZINC000065605106 184371307 /nfs/dbraw/zinc/37/13/07/184371307.db2.gz FFRGDKVYFJUEFW-GFCCVEGCSA-N 0 0 309.414 0.664 50 0 DCAARN COC(=O)[C@@H](NCC(=O)Nc1cnccn1)c1ccccc1 ZINC000065508798 184357440 /nfs/dbraw/zinc/35/74/40/184357440.db2.gz XDIVBZXFKMDIDK-AWEZNQCLSA-N 0 0 300.318 0.919 50 0 DCAARN CCN1C[C@@H](C(=O)N(C)CC(=O)Nc2cccc(C)n2)CC1=O ZINC000069566949 184526499 /nfs/dbraw/zinc/52/64/99/184526499.db2.gz QPFNXMGMZXYDII-LBPRGKRZSA-N 0 0 318.377 0.655 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)[C@@H](CC(C)C)NC(C)=O)cn1 ZINC000341153927 253349734 /nfs/dbraw/zinc/34/97/34/253349734.db2.gz YRIWLLJAGOVVKP-GFCCVEGCSA-N 0 0 309.370 0.118 50 0 DCAARN Cn1c(CCCNC(=O)[C@@H]2CCC(=O)N2)nc2ccccc21 ZINC000222544362 256594112 /nfs/dbraw/zinc/59/41/12/256594112.db2.gz VEZNPBRZJYEBEI-LBPRGKRZSA-N 0 0 300.362 0.901 50 0 DCAARN CCn1c(Br)nc2c1c(=O)n(CC)c(=O)n2C ZINC000016839486 257217804 /nfs/dbraw/zinc/21/78/04/257217804.db2.gz OLBJFTCWWMJGFY-UHFFFAOYSA-N 0 0 301.144 0.699 50 0 DCAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCO ZINC000524730610 257214102 /nfs/dbraw/zinc/21/41/02/257214102.db2.gz OZTKQEKXAJCTFB-GHJWDPDVSA-N 0 0 304.346 0.595 50 0 biogenic DCAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nc[nH]n1 ZINC000218604457 257273898 /nfs/dbraw/zinc/27/38/98/257273898.db2.gz OFHMUZMULMXYLH-SECBINFHSA-N 0 0 324.366 0.230 50 0 DCAARN COCCCn1cnnc1CNC(=O)N1CCC[C@H](CO)C1 ZINC000426746035 257243570 /nfs/dbraw/zinc/24/35/70/257243570.db2.gz AYDAOXXTKHROTQ-LBPRGKRZSA-N 0 0 311.386 0.229 50 0 DCAARN C[C@H](C(=O)N1CCNC(=O)CC1)c1n[nH]c(=O)c2ccccc21 ZINC000426604506 257244841 /nfs/dbraw/zinc/24/48/41/257244841.db2.gz NTGLWMLTNQKIOS-JTQLQIEISA-N 0 0 314.345 0.787 50 0 DCAARN COCCn1cnnc1CCNC(=O)c1ccnc(C(C)C)n1 ZINC000426612627 257245102 /nfs/dbraw/zinc/24/51/02/257245102.db2.gz IUNYQKQOOFFCSB-UHFFFAOYSA-N 0 0 318.381 0.810 50 0 DCAARN CN(Cc1cnccn1)C(=O)NCCSc1nncn1C ZINC000426602340 257245162 /nfs/dbraw/zinc/24/51/62/257245162.db2.gz DPFSJEPGNJPRPC-UHFFFAOYSA-N 0 0 307.383 0.539 50 0 DCAARN CC(=O)N1CC[C@@H](NC(=O)c2cccc3c2ccn3C)[C@H](O)C1 ZINC000426602507 257245351 /nfs/dbraw/zinc/24/53/51/257245351.db2.gz NILGAFZKUVHARF-GDBMZVCRSA-N 0 0 315.373 0.890 50 0 DCAARN COCCc1noc([C@@H]2CCCN2C(=O)[C@@H]2COC(=O)N2)n1 ZINC000426571420 257246241 /nfs/dbraw/zinc/24/62/41/257246241.db2.gz GFTMXYPKCDPRBK-IUCAKERBSA-N 0 0 310.310 0.030 50 0 DCAARN CC[NH+](CC)[C@H](CNC(=O)Cc1n[nH]c(=O)[n-]1)c1ccco1 ZINC000426562839 257247042 /nfs/dbraw/zinc/24/70/42/257247042.db2.gz GHGOSCWJOJJLDR-SNVBAGLBSA-N 0 0 307.354 0.845 50 0 DCAARN CN(Cc1noc2c1CCCC2)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000426518709 257247599 /nfs/dbraw/zinc/24/75/99/257247599.db2.gz FVVPHDKEFIKWJM-SNVBAGLBSA-N 0 0 312.391 0.947 50 0 DCAARN O=C(NCCc1nc2c(s1)CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000426503041 257248458 /nfs/dbraw/zinc/24/84/58/257248458.db2.gz QCSJHQAWNLQKPV-VIFPVBQESA-N 0 0 314.432 0.725 50 0 DCAARN O=C(NCCc1nc2c(s1)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000426503038 257248462 /nfs/dbraw/zinc/24/84/62/257248462.db2.gz QCSJHQAWNLQKPV-SECBINFHSA-N 0 0 314.432 0.725 50 0 DCAARN CO[C@H]1CN(C(=O)c2cc(=O)n(C)c3ccccc23)C[C@@H]1O ZINC000426498351 257248740 /nfs/dbraw/zinc/24/87/40/257248740.db2.gz AXEUHSDTOAPCJR-KBPBESRZSA-N 0 0 302.330 0.370 50 0 DCAARN CC(C)n1cc(C(=O)[O-])c(=O)c(C(=O)N2CCC[NH2+]CC2)c1 ZINC000426493278 257248803 /nfs/dbraw/zinc/24/88/03/257248803.db2.gz SXPXVDQUGFUJQW-UHFFFAOYSA-N 0 0 307.350 0.563 50 0 DCAARN O=C(c1ccnn1CCO)N1CCN(C2CCCC2)C(=O)C1 ZINC000426489441 257249747 /nfs/dbraw/zinc/24/97/47/257249747.db2.gz YKHVHYZMMADYEU-UHFFFAOYSA-N 0 0 306.366 0.102 50 0 DCAARN O=C(NCc1nccs1)c1cc2ncc(CCO)cn2n1 ZINC000426434162 257250508 /nfs/dbraw/zinc/25/05/08/257250508.db2.gz VDGFROOVFYOJEN-UHFFFAOYSA-N 0 0 303.347 0.651 50 0 DCAARN CN(CCCc1nccn1C)C(=O)NCCc1nncn1C ZINC000426399180 257251695 /nfs/dbraw/zinc/25/16/95/257251695.db2.gz HXQAYBZXHAKMAU-UHFFFAOYSA-N 0 0 305.386 0.365 50 0 DCAARN CCc1nc(-c2nn(-c3ccc(F)cc3)c(=O)[n-]c2=O)no1 ZINC000045796102 257269956 /nfs/dbraw/zinc/26/99/56/257269956.db2.gz AOMBFROUARXRIB-UHFFFAOYSA-N 0 0 303.253 0.672 50 0 DCAARN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000071808786 184848286 /nfs/dbraw/zinc/84/82/86/184848286.db2.gz HVUYSYRFNCSINP-ZJUUUORDSA-N 0 0 314.345 0.649 50 0 DCAARN Cc1noc(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n1 ZINC000071847381 184867426 /nfs/dbraw/zinc/86/74/26/184867426.db2.gz NLDNLJADERGILL-SSDOTTSWSA-N 0 0 306.244 0.405 50 0 DCAARN OCCn1nnc(-c2ccccc2I)n1 ZINC000069588068 184818760 /nfs/dbraw/zinc/81/87/60/184818760.db2.gz KOXBNGDCPOAIJO-UHFFFAOYSA-N 0 0 316.102 0.937 50 0 DCAARN CCc1nnc2n1CCN(C(=O)c1ccc3c(c1)nnn3C)C2 ZINC000069652991 184831779 /nfs/dbraw/zinc/83/17/79/184831779.db2.gz ZXTQATPGQAXZGA-UHFFFAOYSA-N 0 0 311.349 0.778 50 0 DCAARN NC(=O)[C@@H](c1ccccc1)N1CCO[C@H](Cn2cncn2)C1 ZINC000071876562 184882693 /nfs/dbraw/zinc/88/26/93/184882693.db2.gz NNDSEDFROSCVEB-UONOGXRCSA-N 0 0 301.350 0.206 50 0 DCAARN C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000071883530 184886981 /nfs/dbraw/zinc/88/69/81/184886981.db2.gz VXRLGLDBQHRKSI-WCBMZHEXSA-N 0 0 312.320 0.717 50 0 DCAARN Cc1cc(NC(=O)CCN2CCC[C@H]2c2nc(N)n(C)n2)no1 ZINC000283968761 131037350 /nfs/dbraw/zinc/03/73/50/131037350.db2.gz IHWGSTARRPJUCN-JTQLQIEISA-N 0 0 319.369 0.859 50 0 DCAARN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(Cc2nc(N(C)C)no2)C1 ZINC000284521481 131088379 /nfs/dbraw/zinc/08/83/79/131088379.db2.gz FTRVWOHLTRDRJO-ZJUUUORDSA-N 0 0 307.358 0.524 50 0 DCAARN COc1ccccc1CNC(=O)CN1C[C@H](F)C[C@H]1C(N)=O ZINC000285457167 131170586 /nfs/dbraw/zinc/17/05/86/131170586.db2.gz LFIIQAYYZPOPAN-NEPJUHHUSA-N 0 0 309.341 0.209 50 0 DCAARN CCNC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000008429382 395684678 /nfs/dbraw/zinc/68/46/78/395684678.db2.gz NEUXORVFTKCGDN-UHFFFAOYSA-N 0 0 317.349 0.333 50 0 DCAARN CC(C)N(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)C ZINC000008710084 395684965 /nfs/dbraw/zinc/68/49/65/395684965.db2.gz STQCUOLYNLYDAU-UHFFFAOYSA-N 0 0 321.381 0.079 50 0 DCAARN CCOCC(=O)NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000008986960 395685084 /nfs/dbraw/zinc/68/50/84/395685084.db2.gz JBJLNZXJFXHXPA-LLVKDONJSA-N 0 0 320.345 0.921 50 0 DCAARN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3ncnn32)c(OC)c1 ZINC000009087409 395685109 /nfs/dbraw/zinc/68/51/09/395685109.db2.gz GGCYWQJTXDCVFO-SNVBAGLBSA-N 0 0 317.305 0.817 50 0 DCAARN O=C(CCn1nnc2ccccc2c1=O)Nc1ncccc1O ZINC000009339054 395685236 /nfs/dbraw/zinc/68/52/36/395685236.db2.gz VUYFIRRSGYIMSB-UHFFFAOYSA-N 0 0 311.301 0.921 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cn2)n(C)c1 ZINC000009313475 395685299 /nfs/dbraw/zinc/68/52/99/395685299.db2.gz QWNJRRPDPBPUDK-UHFFFAOYSA-N 0 0 308.363 0.889 50 0 DCAARN CN1CCN(NC(=O)C(=O)NCc2ccccc2Cl)CC1 ZINC000009995425 395685773 /nfs/dbraw/zinc/68/57/73/395685773.db2.gz CGDJIAJQUKCZIO-UHFFFAOYSA-N 0 0 310.785 0.235 50 0 DCAARN O=C(COc1cccc2c1CCC2=O)N[C@H]1CCS(=O)(=O)C1 ZINC000010198024 395685876 /nfs/dbraw/zinc/68/58/76/395685876.db2.gz CCVPWEHRJJUWAA-JTQLQIEISA-N 0 0 323.370 0.498 50 0 DCAARN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cn1ccnc1 ZINC000010809882 395686181 /nfs/dbraw/zinc/68/61/81/395686181.db2.gz NEFHNSMXFUTPBE-UHFFFAOYSA-N 0 0 306.347 0.120 50 0 DCAARN Cn1c(=O)cc(COC(=O)c2cc3c(s2)CCC3)n(C)c1=O ZINC000010620901 395686212 /nfs/dbraw/zinc/68/62/12/395686212.db2.gz PKLHYDJJVVULCY-UHFFFAOYSA-N 0 0 320.370 0.991 50 0 DCAARN CN(C)c1nc(N)nc(COc2ccc(Cl)cc2C(N)=O)n1 ZINC000011115947 395686246 /nfs/dbraw/zinc/68/62/46/395686246.db2.gz WFNPQFUWELISKS-UHFFFAOYSA-N 0 0 322.756 0.851 50 0 DCAARN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC2CC2)c1 ZINC000011660849 395686680 /nfs/dbraw/zinc/68/66/80/395686680.db2.gz BJHZNWALIKGKAW-UHFFFAOYSA-N 0 0 310.375 0.836 50 0 DCAARN O=C(NCCn1ncc2c1ncnc2N1CCOCC1)C1CC1 ZINC000011665913 395686726 /nfs/dbraw/zinc/68/67/26/395686726.db2.gz GARRJVJQCHRWBV-UHFFFAOYSA-N 0 0 316.365 0.189 50 0 DCAARN O=C(NC(=S)N[C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000012343492 395687375 /nfs/dbraw/zinc/68/73/75/395687375.db2.gz FFQAHLPBLNHMKN-SNVBAGLBSA-N 0 0 304.437 0.745 50 0 DCAARN Cn1c(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2c1=O ZINC000012427747 395687661 /nfs/dbraw/zinc/68/76/61/395687661.db2.gz VUFVUCHDVDFYLO-UHFFFAOYSA-N 0 0 323.374 0.401 50 0 DCAARN Cc1cccnc1NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000012554791 395687694 /nfs/dbraw/zinc/68/76/94/395687694.db2.gz FDEPUPYZRWTZDN-UHFFFAOYSA-N 0 0 318.358 0.826 50 0 DCAARN CCN(CC)c1ncccc1CNC(=O)CN1CC(=O)NC1=O ZINC000012572730 395687855 /nfs/dbraw/zinc/68/78/55/395687855.db2.gz HKHSHJVAGVZHMX-UHFFFAOYSA-N 0 0 319.365 0.096 50 0 DCAARN C[C@H](CCc1ccccc1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000012925355 395688205 /nfs/dbraw/zinc/68/82/05/395688205.db2.gz IAXQHNIWEAUEAY-GFCCVEGCSA-N 0 0 301.346 0.674 50 0 DCAARN COc1ccc(F)cc1S(=O)(=O)N1CCN(CCO)CC1 ZINC000012998445 395688344 /nfs/dbraw/zinc/68/83/44/395688344.db2.gz GYBIZOWQYUEHIC-UHFFFAOYSA-N 0 0 318.370 0.133 50 0 DCAARN COc1cc(Cn2cnc3c(nnn3C)c2=O)cc(OC)c1 ZINC000013531265 395688555 /nfs/dbraw/zinc/68/85/55/395688555.db2.gz URDMNEHDCYLGGP-UHFFFAOYSA-N 0 0 301.306 0.591 50 0 DCAARN CCNC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O ZINC000013582497 395688718 /nfs/dbraw/zinc/68/87/18/395688718.db2.gz HHWMEGSWHPODKL-UHFFFAOYSA-N 0 0 316.379 0.849 50 0 DCAARN O=C(C[C@H]1C(=O)Nc2ncnn21)Nc1ccc2c(c1)OCCO2 ZINC000013731983 395688895 /nfs/dbraw/zinc/68/88/95/395688895.db2.gz SQLRWZLFBSBHJO-VIFPVBQESA-N 0 0 315.289 0.571 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)N1CC=C(c2ccccc2)CC1 ZINC000014134548 395689177 /nfs/dbraw/zinc/68/91/77/395689177.db2.gz MQFQKNDKRJUDBX-UHFFFAOYSA-N 0 0 311.341 0.853 50 0 DCAARN Cc1ccc2nc(NCCN3CCOCC3)c3nnnn3c2c1 ZINC000020177839 395691225 /nfs/dbraw/zinc/69/12/25/395691225.db2.gz KXYMSVWNUJIVDW-UHFFFAOYSA-N 0 0 313.365 0.725 50 0 DCAARN CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCN(C)CC1 ZINC000022338239 395691758 /nfs/dbraw/zinc/69/17/58/395691758.db2.gz NSTZBLAKDKCYEW-UHFFFAOYSA-N 0 0 318.381 0.290 50 0 DCAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(N)=O)cc1 ZINC000000073810 395679610 /nfs/dbraw/zinc/67/96/10/395679610.db2.gz WRDYDFUCLJVUGZ-CYBMUJFWSA-N 0 0 319.317 0.352 50 0 DCAARN CCCN(CCC)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000000117170 395679773 /nfs/dbraw/zinc/67/97/73/395679773.db2.gz XXUIJNWREZALIF-UHFFFAOYSA-N 0 0 321.381 0.082 50 0 biogenic DCAARN CCOc1ccc(N([C@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000000080463 395679776 /nfs/dbraw/zinc/67/97/76/395679776.db2.gz LZMFLKYNIKVZHH-SNVBAGLBSA-N 0 0 300.380 0.986 50 0 DCAARN COC(=O)[C@@H](NC=O)[C@@](O)(c1ccc(OC)cc1)C(F)(F)F ZINC000000160722 395679935 /nfs/dbraw/zinc/67/99/35/395679935.db2.gz YMSFIWDVMABWCQ-PWSUYJOCSA-N 0 0 321.251 0.733 50 0 DCAARN CNC(=O)NC(=O)Cn1nc2n(c1=O)-c1ccccc1SC2 ZINC000000160600 395679989 /nfs/dbraw/zinc/67/99/89/395679989.db2.gz PZADIAPFLCZFGN-UHFFFAOYSA-N 0 0 319.346 0.095 50 0 DCAARN O=C(c1ccc(C(=O)N2CCOCC2)cc1)N1CCOCC1 ZINC000000227341 395680023 /nfs/dbraw/zinc/68/00/23/395680023.db2.gz WSLSHSXFPNQGRU-UHFFFAOYSA-N 0 0 304.346 0.631 50 0 DCAARN CCCS(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCO2)CC1 ZINC000000263260 395680158 /nfs/dbraw/zinc/68/01/58/395680158.db2.gz VPPWQUSXCZXCSG-CYBMUJFWSA-N 0 0 318.439 0.733 50 0 DCAARN Cn1c2nc(NN)n(Cc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000000305676 395680220 /nfs/dbraw/zinc/68/02/20/395680220.db2.gz GBFCTXDLFJAAAJ-UHFFFAOYSA-N 0 0 320.740 0.411 50 0 DCAARN CCn1c(S[C@H](C)C(C)=O)nc2c1c(=O)n(C)c(=O)n2C ZINC000000352289 395680355 /nfs/dbraw/zinc/68/03/55/395680355.db2.gz NMJQRXAWPUPDGX-MRVPVSSYSA-N 0 0 310.379 0.523 50 0 DCAARN COc1ccc(NC(=O)CSc2nnnn2C)c(OC)c1 ZINC000000795854 395680698 /nfs/dbraw/zinc/68/06/98/395680698.db2.gz ZTULDLAIVQAEEP-UHFFFAOYSA-N 0 0 309.351 0.958 50 0 DCAARN CCCOC(=O)N[C@@H]1[C@@H](NC(=O)OCCC)N(C)C(=O)N1C ZINC000002278652 395681482 /nfs/dbraw/zinc/68/14/82/395681482.db2.gz FWSWMSADSURGNY-UWVGGRQHSA-N 0 0 316.358 0.908 50 0 DCAARN CCOC(=O)[C@H](C)Oc1cccc2c1ccn(CC(N)=O)c2=O ZINC000002712260 395681810 /nfs/dbraw/zinc/68/18/10/395681810.db2.gz ICYCIPCWUMWUNL-JTQLQIEISA-N 0 0 318.329 0.817 50 0 DCAARN CCOC(=O)C(C(=O)OCC)[C@]1(O)C(=O)Nc2ccccc21 ZINC000002795960 395681935 /nfs/dbraw/zinc/68/19/35/395681935.db2.gz OQKKDWWYJZMVRM-HNNXBMFYSA-N 0 0 307.302 0.569 50 0 DCAARN CC(C)NS(=O)(=O)c1ccc(OCC(N)=O)c(Cl)c1 ZINC000002868972 395681950 /nfs/dbraw/zinc/68/19/50/395681950.db2.gz AUDAFLMTBJUHSE-UHFFFAOYSA-N 0 0 306.771 0.891 50 0 DCAARN O=C(C[C@@H]1NCCNC1=O)Nc1ccc(Br)cc1 ZINC000005429009 395682752 /nfs/dbraw/zinc/68/27/52/395682752.db2.gz SCQRKLZRHNFUQY-JTQLQIEISA-N 0 0 312.167 0.866 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(N)=O)cc1F ZINC000030333034 395702531 /nfs/dbraw/zinc/70/25/31/395702531.db2.gz AOVARUVDMGNDQP-NSHDSACASA-N 0 0 316.354 0.863 50 0 DCAARN CCC[C@@H](C)N(C)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000030977034 395705246 /nfs/dbraw/zinc/70/52/46/395705246.db2.gz YAGWKTLZPKIQRH-GHMZBOCLSA-N 0 0 319.427 0.120 50 0 DCAARN Cc1cc(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)on1 ZINC000031718740 395707473 /nfs/dbraw/zinc/70/74/73/395707473.db2.gz RAYSOSTZYGJOGK-UHFFFAOYSA-N 0 0 301.306 0.567 50 0 DCAARN COCCn1nc(C(=O)N(C)Cc2cc(C)on2)ccc1=O ZINC000031657960 395707756 /nfs/dbraw/zinc/70/77/56/395707756.db2.gz PAJLOSYFMRGTLW-UHFFFAOYSA-N 0 0 306.322 0.458 50 0 DCAARN CCS(=O)(=O)N1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000089274363 395709320 /nfs/dbraw/zinc/70/93/20/395709320.db2.gz CDCJNEWWYBHGRY-UHFFFAOYSA-N 0 0 321.443 0.478 50 0 DCAARN C[C@@H](O)CNC(=O)c1nc(CC(=O)Nc2ccccc2)no1 ZINC000032104829 395709574 /nfs/dbraw/zinc/70/95/74/395709574.db2.gz CNVMOJCUMOTNMP-SECBINFHSA-N 0 0 304.306 0.361 50 0 DCAARN CCn1cc(S(=O)(=O)N2CC[S@](=O)C(C)(C)C2)cn1 ZINC000089309891 395709833 /nfs/dbraw/zinc/70/98/33/395709833.db2.gz SLBABAVYUKAEHN-GOSISDBHSA-N 0 0 305.425 0.435 50 0 DCAARN Cc1c(Br)c(C(=O)N2CCN(C)CC2)nn1C ZINC000032611308 395711569 /nfs/dbraw/zinc/71/15/69/395711569.db2.gz YKVJHWVFFYXJHY-UHFFFAOYSA-N 0 0 301.188 0.879 50 0 DCAARN CCCNC(=O)Cn1nnc2cc3c(cc2c1=O)OCCO3 ZINC000032647339 395711870 /nfs/dbraw/zinc/71/18/70/395711870.db2.gz CKZRMMUOTUQUPO-UHFFFAOYSA-N 0 0 304.306 0.089 50 0 DCAARN COc1ccccc1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000032796887 395713747 /nfs/dbraw/zinc/71/37/47/395713747.db2.gz IVCLZQJWTRJQSR-UHFFFAOYSA-N 0 0 312.391 0.803 50 0 DCAARN COC(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000032900760 395714099 /nfs/dbraw/zinc/71/40/99/395714099.db2.gz BBRBTADFMINBJX-GFCCVEGCSA-N 0 0 323.370 0.797 50 0 DCAARN CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(Cc2ccon2)C1 ZINC000089718328 395714479 /nfs/dbraw/zinc/71/44/79/395714479.db2.gz FHQNLHPZKSGSHO-CYBMUJFWSA-N 0 0 305.338 0.989 50 0 DCAARN O=C(Cn1cccnc1=O)Nc1ccc(N2CCOCC2)nc1 ZINC000032925392 395714753 /nfs/dbraw/zinc/71/47/53/395714753.db2.gz HAWQPVQLYXJSIS-UHFFFAOYSA-N 0 0 315.333 0.114 50 0 DCAARN Cn1cc(S(=O)(=O)NC[C@@]2(O)CCCc3ccccc32)cn1 ZINC000089756580 395714849 /nfs/dbraw/zinc/71/48/49/395714849.db2.gz QXJIGVFWPJSUCP-HNNXBMFYSA-N 0 0 321.402 0.923 50 0 DCAARN O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)[C@H]1CNC(=O)N1 ZINC000089800376 395715372 /nfs/dbraw/zinc/71/53/72/395715372.db2.gz JCNSVDACXSMTCM-BXUZGUMPSA-N 0 0 317.345 0.707 50 0 DCAARN CC[C@@H](NC(=O)[C@H]1CNC(=O)N1)c1ccc2c(c1)OCCO2 ZINC000089947847 395717820 /nfs/dbraw/zinc/71/78/20/395717820.db2.gz MRMSVLDIPOHLFQ-GHMZBOCLSA-N 0 0 305.334 0.707 50 0 DCAARN O=C(NCCN1CCOCC1)c1cc(Br)c[nH]1 ZINC000035180147 395719337 /nfs/dbraw/zinc/71/93/37/395719337.db2.gz PNWCZFMOFDBLIR-UHFFFAOYSA-N 0 0 302.172 0.839 50 0 DCAARN CCCNC(=O)c1nn(-c2ccccc2)c(=O)n(CCC)c1=O ZINC000036086217 395722001 /nfs/dbraw/zinc/72/20/01/395722001.db2.gz CXWJOZZDHRWHML-UHFFFAOYSA-N 0 0 316.361 0.944 50 0 DCAARN C[C@@]1(C(=O)N[C@@H]2CCS(=O)(=O)C2)Oc2ccccc2NC1=O ZINC000036358861 395723181 /nfs/dbraw/zinc/72/31/81/395723181.db2.gz IJNKAUBCJRJPMD-OTYXRUKQSA-N 0 0 324.358 0.729 50 0 DCAARN CN(C)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cn1 ZINC000028432191 395696014 /nfs/dbraw/zinc/69/60/14/395696014.db2.gz FNUMCWFNMQEUEV-UHFFFAOYSA-N 0 0 312.377 0.900 50 0 DCAARN C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccn1 ZINC000028784422 395696157 /nfs/dbraw/zinc/69/61/57/395696157.db2.gz MGTGNYGHUIBBPQ-NSHDSACASA-N 0 0 311.407 0.930 50 0 DCAARN O=c1c2cc(Cl)ccc2ncn1C[C@H](O)CN1CCOCC1 ZINC000028689996 395696258 /nfs/dbraw/zinc/69/62/58/395696258.db2.gz LVJMEBQYFZYDAZ-GFCCVEGCSA-N 0 0 323.780 0.743 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000029191801 395697235 /nfs/dbraw/zinc/69/72/35/395697235.db2.gz SNFPVEAGBJUZKP-LLVKDONJSA-N 0 0 315.395 0.374 50 0 DCAARN CC[C@@H](C)NC(=O)CN1CCN(c2nccc(OC)n2)CC1 ZINC000029532157 395698746 /nfs/dbraw/zinc/69/87/46/395698746.db2.gz RIYOKEOTUPYICN-GFCCVEGCSA-N 0 0 307.398 0.522 50 0 DCAARN CCCc1nnc([C@H]2CN(C[C@H](O)Cn3cccn3)CCO2)[nH]1 ZINC000084759012 395698961 /nfs/dbraw/zinc/69/89/61/395698961.db2.gz GXKCJGSHQYYRPQ-QWHCGFSZSA-N 0 0 320.397 0.388 50 0 DCAARN CC(=O)N1CCN([C@@H](C)C(=O)Nc2sccc2C(N)=O)CC1 ZINC000037224373 395726130 /nfs/dbraw/zinc/72/61/30/395726130.db2.gz ZOKYWQWICWWGFB-VIFPVBQESA-N 0 0 324.406 0.338 50 0 DCAARN Nc1nc2[nH]cc(CN3C(=O)c4ccccc4C3=O)c2c(=O)[nH]1 ZINC000038265853 395731852 /nfs/dbraw/zinc/73/18/52/395731852.db2.gz UCSCQJZOLSHFLO-UHFFFAOYSA-N 0 0 309.285 0.630 50 0 DCAARN Cc1ccn2cc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)nc2c1 ZINC000041903604 395740268 /nfs/dbraw/zinc/74/02/68/395740268.db2.gz FMNOXGJELMTXDD-AWEZNQCLSA-N 0 0 307.375 0.950 50 0 DCAARN Cn1c(=O)cc(C(=O)N[C@H]2CCCc3ccccc32)n(C)c1=O ZINC000095372657 395740296 /nfs/dbraw/zinc/74/02/96/395740296.db2.gz ZEGCIUOHBPWZCC-ZDUSSCGKSA-N 0 0 313.357 0.891 50 0 DCAARN O=C([C@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCNC(=O)C1 ZINC000040553368 395734073 /nfs/dbraw/zinc/73/40/73/395734073.db2.gz NNTHXWDPFWUNOB-JTQLQIEISA-N 0 0 323.784 0.305 50 0 DCAARN CO[C@H](CNC(=O)CN1C(=O)CCC1=O)c1ccccc1C ZINC000096104942 395744230 /nfs/dbraw/zinc/74/42/30/395744230.db2.gz ZLNXOGUCVRPYAH-CYBMUJFWSA-N 0 0 304.346 0.948 50 0 DCAARN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCN2CCCC2=O)on1 ZINC000096139093 395746072 /nfs/dbraw/zinc/74/60/72/395746072.db2.gz ZBUXLHNNUHSRKD-OCCSQVGLSA-N 0 0 321.377 0.669 50 0 DCAARN O=C(NCCn1ccnc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000043311294 395752436 /nfs/dbraw/zinc/75/24/36/395752436.db2.gz FSIAEXYOJWYIJP-UHFFFAOYSA-N 0 0 317.349 0.644 50 0 DCAARN O=C(NC[C@H](O)C(F)(F)F)c1cc(-n2cccn2)ccn1 ZINC000096450024 395753331 /nfs/dbraw/zinc/75/33/31/395753331.db2.gz OGMGUWTUFKQCGU-JTQLQIEISA-N 0 0 300.240 0.920 50 0 DCAARN CC(C)n1cc(S(=O)(=O)N2CC[S@@](=O)C(C)(C)C2)cn1 ZINC000096461887 395753743 /nfs/dbraw/zinc/75/37/43/395753743.db2.gz YVBRDYLBUXSGJI-IBGZPJMESA-N 0 0 319.452 0.996 50 0 DCAARN CC(C)Cc1ncc(CN2CCN(S(N)(=O)=O)CC2)s1 ZINC000096489591 395754443 /nfs/dbraw/zinc/75/44/43/395754443.db2.gz JCYZORNNKNHWQR-UHFFFAOYSA-N 0 0 318.468 0.663 50 0 DCAARN O=C(CN[C@@H](CO)c1cc(F)c(F)c(F)c1)N1CCOCC1 ZINC000097081984 395755185 /nfs/dbraw/zinc/75/51/85/395755185.db2.gz DTZTXMSSSZQARR-LBPRGKRZSA-N 0 0 318.295 0.586 50 0 DCAARN C[C@@H]1CN(CCNc2ncnc3c2cnn3CCO)C[C@@H](C)O1 ZINC000097200128 395755558 /nfs/dbraw/zinc/75/55/58/395755558.db2.gz HHGZNYLJYUVLHW-VXGBXAGGSA-N 0 0 320.397 0.340 50 0 DCAARN CC(=O)N(C)C1CCN(c2ncnc3c2cnn3CCO)CC1 ZINC000097200404 395755587 /nfs/dbraw/zinc/75/55/87/395755587.db2.gz WTTXMHXSIYAHQA-UHFFFAOYSA-N 0 0 318.381 0.266 50 0 DCAARN O=C(N[C@H]1CCc2nccn2C1)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000097197928 395755698 /nfs/dbraw/zinc/75/56/98/395755698.db2.gz ULQNLFMYSNGFJK-OLZOCXBDSA-N 0 0 302.378 0.573 50 0 DCAARN CCn1nnnc1-c1cccc(NC(=O)NCc2cn[nH]n2)c1 ZINC000097227521 395756443 /nfs/dbraw/zinc/75/64/43/395756443.db2.gz KSNURCSXNRYLNG-UHFFFAOYSA-N 0 0 313.325 0.800 50 0 DCAARN CN1CCO[C@H](C(=O)NCCc2nc(-c3ccccc3)n[nH]2)C1 ZINC000097379622 395757589 /nfs/dbraw/zinc/75/75/89/395757589.db2.gz TYZPAGQFOIAURP-ZDUSSCGKSA-N 0 0 315.377 0.461 50 0 DCAARN CC(C)NC(=O)[C@@H](C)N1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000097378015 395757763 /nfs/dbraw/zinc/75/77/63/395757763.db2.gz MRJUCSDXMMEIJX-GHMZBOCLSA-N 0 0 311.348 0.440 50 0 DCAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCOCC1 ZINC000096231386 395751004 /nfs/dbraw/zinc/75/10/04/395751004.db2.gz XFRNYRUCXHJOHA-LBPRGKRZSA-N 0 0 321.333 0.339 50 0 DCAARN Cn1cccc1CNC(=O)CCc1nnc2ccccn2c1=O ZINC000096231332 395751169 /nfs/dbraw/zinc/75/11/69/395751169.db2.gz IKQXQDALDXOMSV-UHFFFAOYSA-N 0 0 311.345 0.677 50 0 DCAARN C[C@H](Cn1ccnc1)NC(=O)N1CCN(c2ncccn2)CC1 ZINC000047028707 395786054 /nfs/dbraw/zinc/78/60/54/395786054.db2.gz BTKNEYFJLPUJCY-CYBMUJFWSA-N 0 0 315.381 0.593 50 0 DCAARN Nc1ncccc1CN1CCN(C(=O)N2CCCC2)C[C@H](O)C1 ZINC000097632111 395759096 /nfs/dbraw/zinc/75/90/96/395759096.db2.gz NUYJDTOTTAQFIO-CQSZACIVSA-N 0 0 319.409 0.358 50 0 DCAARN COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)NC(=O)N2)cc1 ZINC000097574877 395759246 /nfs/dbraw/zinc/75/92/46/395759246.db2.gz LZOVYOCZXDTHOZ-ZDUSSCGKSA-N 0 0 319.361 0.732 50 0 DCAARN O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CCCC1 ZINC000044893578 395759720 /nfs/dbraw/zinc/75/97/20/395759720.db2.gz GWDCEVOQUYLBFG-UHFFFAOYSA-N 0 0 301.354 0.358 50 0 DCAARN Cc1cc(CNC(=O)Cn2ncc3ccccc3c2=O)n(C)n1 ZINC000097698704 395760142 /nfs/dbraw/zinc/76/01/42/395760142.db2.gz HMWHHJPAVIADSD-UHFFFAOYSA-N 0 0 311.345 0.755 50 0 DCAARN CN(CCNc1nccc(-c2ccncc2)n1)S(C)(=O)=O ZINC000097757891 395760215 /nfs/dbraw/zinc/76/02/15/395760215.db2.gz FYNADLWUOWZYQO-UHFFFAOYSA-N 0 0 307.379 0.842 50 0 DCAARN CSCc1nc(CNC(=O)Cn2cccnc2=O)cs1 ZINC000097831147 395760717 /nfs/dbraw/zinc/76/07/17/395760717.db2.gz ZGEBQUZCWOIZTR-UHFFFAOYSA-N 0 0 310.404 0.879 50 0 DCAARN COc1ccccc1C(=O)N[C@H](C(=O)NCCCO)C(C)C ZINC000098077012 395762054 /nfs/dbraw/zinc/76/20/54/395762054.db2.gz UJSLXNAQMBXPSO-AWEZNQCLSA-N 0 0 308.378 0.948 50 0 DCAARN COCCn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O ZINC000098213056 395762387 /nfs/dbraw/zinc/76/23/87/395762387.db2.gz GIRSDOIYSGKBEQ-UHFFFAOYSA-N 0 0 320.324 0.486 50 0 DCAARN COc1ccccc1CNc1c(=O)c(=O)c1NCC[NH+](C)C ZINC000101692009 395766617 /nfs/dbraw/zinc/76/66/17/395766617.db2.gz FKWVLCGJKRYPLM-UHFFFAOYSA-N 0 0 303.362 0.877 50 0 DCAARN O=c1cc(CN2CCOCC2)[nH]c2nc(-c3ccccc3)nn21 ZINC000101747170 395767083 /nfs/dbraw/zinc/76/70/83/395767083.db2.gz WXRCLIBOIGIBTP-UHFFFAOYSA-N 0 0 311.345 0.917 50 0 DCAARN C[C@@H](NC(=O)CCn1cncn1)c1ccc2c(c1)NC(=O)CO2 ZINC000046385644 395776396 /nfs/dbraw/zinc/77/63/96/395776396.db2.gz AKVRLFCHLYZPQP-SNVBAGLBSA-N 0 0 315.333 0.877 50 0 DCAARN C[C@]1(NC(=O)c2cc3ccccc3c(=O)[nH]2)CCS(=O)(=O)C1 ZINC000048435276 395815672 /nfs/dbraw/zinc/81/56/72/395815672.db2.gz UNCGUABKOVMJGO-HNNXBMFYSA-N 0 0 320.370 0.835 50 0 DCAARN CN(C)C(=O)CNC(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000048437997 395815720 /nfs/dbraw/zinc/81/57/20/395815720.db2.gz KMOLNZZPIIVEEO-UHFFFAOYSA-N 0 0 306.366 0.527 50 0 DCAARN Cc1nnc(CNC(=O)CN2CCN(c3ccccc3)C2=O)o1 ZINC000049378760 395831697 /nfs/dbraw/zinc/83/16/97/395831697.db2.gz LYFYQSRKGLDUDL-UHFFFAOYSA-N 0 0 315.333 0.936 50 0 DCAARN Cn1nnc(-c2ccc(NC(=O)C(=O)NC(C)(C)C)cc2)n1 ZINC000049546585 395832476 /nfs/dbraw/zinc/83/24/76/395832476.db2.gz AATIBNMHULIMIZ-UHFFFAOYSA-N 0 0 302.338 0.730 50 0 DCAARN O=C(Cn1nc(N2CCOCC2)ccc1=O)NC1CCCCC1 ZINC000049550278 395832502 /nfs/dbraw/zinc/83/25/02/395832502.db2.gz TWPKGZIBBADISC-UHFFFAOYSA-N 0 0 320.393 0.529 50 0 DCAARN O=C(NCCN1CCOCC1)c1cc2c([nH]c1=O)CCCC2 ZINC000049551513 395832629 /nfs/dbraw/zinc/83/26/29/395832629.db2.gz KOYMRYLUNZTLGK-UHFFFAOYSA-N 0 0 305.378 0.316 50 0 DCAARN CN(CC1CCOCC1)C(=O)c1sccc1S(N)(=O)=O ZINC000217565881 395839504 /nfs/dbraw/zinc/83/95/04/395839504.db2.gz CWAULIOGKSHJAR-UHFFFAOYSA-N 0 0 318.420 0.894 50 0 DCAARN CN(CCCc1nccn1C)C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC000218851111 395843607 /nfs/dbraw/zinc/84/36/07/395843607.db2.gz LGEWHEFDQDKYLZ-GFCCVEGCSA-N 0 0 311.407 0.760 50 0 DCAARN CCc1cc(C(=O)N[C@@H]2[C@H](COC)[C@H]3OCC[C@@H]23)cc(=O)[nH]1 ZINC000219238082 395844491 /nfs/dbraw/zinc/84/44/91/395844491.db2.gz ORYVBFZMIWHWPD-JURCDPSOSA-N 0 0 306.362 0.717 50 0 DCAARN COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccco2)C1 ZINC000219693937 395846315 /nfs/dbraw/zinc/84/63/15/395846315.db2.gz JQCXJMKKQSVCNB-XYPYZODXSA-N 0 0 320.349 0.686 50 0 DCAARN O=C(c1ccc(=O)[nH]c1)N1CCC[C@H](Oc2cnccn2)C1 ZINC000225467697 395860816 /nfs/dbraw/zinc/86/08/16/395860816.db2.gz VDVWCLGGZRHMQO-LBPRGKRZSA-N 0 0 300.318 0.849 50 0 DCAARN CC[C@H](NS(=O)(=O)c1cc(C(N)=O)cs1)C1CC(O)C1 ZINC000220562413 395848467 /nfs/dbraw/zinc/84/84/67/395848467.db2.gz ZMPSBNDSLDZMBG-GDRRJGKNSA-N 0 0 318.420 0.675 50 0 DCAARN COCCc1noc([C@@H](C)NC(=O)c2cnc(N)nc2C)n1 ZINC000221340498 395850077 /nfs/dbraw/zinc/85/00/77/395850077.db2.gz XNFDVQMMNKSUBT-MRVPVSSYSA-N 0 0 306.326 0.430 50 0 DCAARN CCCN1C[C@@H](NC(=O)c2ccc(N(C)CCO)cc2)CC1=O ZINC000221212128 395850651 /nfs/dbraw/zinc/85/06/51/395850651.db2.gz HWYKKMPLFWOONS-AWEZNQCLSA-N 0 0 319.405 0.856 50 0 DCAARN NC(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1cccn1C1CC1 ZINC000222503974 395852722 /nfs/dbraw/zinc/85/27/22/395852722.db2.gz PPZVHNLEYSBGAU-DGCLKSJQSA-N 0 0 307.350 0.212 50 0 DCAARN COCCN1C[C@H](Cc2ccc(-n3ccnc3)nn2)CC1=O ZINC000222856962 395853557 /nfs/dbraw/zinc/85/35/57/395853557.db2.gz XJOXNLZXZCHQFT-GFCCVEGCSA-N 0 0 301.350 0.700 50 0 DCAARN COC[C@@H](NC(=O)c1ccc2n[nH]nc2c1)c1ccnn1C ZINC000223036764 395853698 /nfs/dbraw/zinc/85/36/98/395853698.db2.gz HZXIEAQXIRNGHL-GFCCVEGCSA-N 0 0 300.322 0.809 50 0 DCAARN COCCOCC(=O)NCc1ccccc1Cn1cncn1 ZINC000047638775 395798498 /nfs/dbraw/zinc/79/84/98/395798498.db2.gz MVXPUVSIFGDVCS-UHFFFAOYSA-N 0 0 304.350 0.606 50 0 DCAARN O=C(CS(=O)(=O)c1ccc2c(c1)OCCO2)NCC1CC1 ZINC000047653199 395799379 /nfs/dbraw/zinc/79/93/79/395799379.db2.gz CEOHHKMYVIDKQT-UHFFFAOYSA-N 0 0 311.359 0.758 50 0 DCAARN C[C@@]1(c2cccs2)NC(=O)N(CC(=O)N2CCNC2=O)C1=O ZINC000053864331 395890332 /nfs/dbraw/zinc/89/03/32/395890332.db2.gz VXPHQEBQSPKCGO-ZDUSSCGKSA-N 0 0 322.346 0.067 50 0 DCAARN Cc1nc(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)sc1C ZINC000054190862 395895522 /nfs/dbraw/zinc/89/55/22/395895522.db2.gz IEVXWCPYAYCRJL-AATRIKPKSA-N 0 0 320.374 0.809 50 0 DCAARN Cc1cc(CN2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)no1 ZINC000054459540 395900301 /nfs/dbraw/zinc/90/03/01/395900301.db2.gz JHZLYPRLBRJYNM-UHFFFAOYSA-N 0 0 319.365 0.235 50 0 DCAARN CN(C)c1nc(N)nc(CN2CCN(c3nccs3)CC2)n1 ZINC000054635849 395903834 /nfs/dbraw/zinc/90/38/34/395903834.db2.gz VWFSFPFZGHZNCJ-UHFFFAOYSA-N 0 0 320.426 0.299 50 0 DCAARN CC[C@]1(c2ccccc2)C(=O)N(C)C(=O)N(CC(=O)NC)C1=O ZINC000055175532 395912943 /nfs/dbraw/zinc/91/29/43/395912943.db2.gz BRUXKWZRIMSPHO-INIZCTEOSA-N 0 0 317.345 0.501 50 0 DCAARN CCN(CCCn1nc(C)cc1C)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000055243775 395914951 /nfs/dbraw/zinc/91/49/51/395914951.db2.gz SIJTYMAUKMZKDN-KBPBESRZSA-N 0 0 315.439 0.370 50 0 DCAARN CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)OC)cc1 ZINC000055421989 395918919 /nfs/dbraw/zinc/91/89/19/395918919.db2.gz CTSPYXVEGKROAA-AWEZNQCLSA-N 0 0 306.362 0.949 50 0 DCAARN Cn1ccc(NC(=O)CN2CCC(c3nncn3C)CC2)n1 ZINC000244796170 395925011 /nfs/dbraw/zinc/92/50/11/395925011.db2.gz RUFPOTWKFIWVFR-UHFFFAOYSA-N 0 0 303.370 0.367 50 0 DCAARN Cc1cc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)c(C)o1 ZINC000052240954 395861549 /nfs/dbraw/zinc/86/15/49/395861549.db2.gz KJMGHVWYQUUXPF-UHFFFAOYSA-N 0 0 314.407 0.699 50 0 DCAARN Cc1noc(C)c1CCC(=O)N1CC[C@H](N2C(=O)COC2=O)C1 ZINC000225701396 395862254 /nfs/dbraw/zinc/86/22/54/395862254.db2.gz JGRHUVWXXFNFHG-NSHDSACASA-N 0 0 321.333 0.804 50 0 DCAARN CNc1nc(C)cc(C(=O)NCCC(=O)Nc2ccncc2)n1 ZINC000225558272 395862297 /nfs/dbraw/zinc/86/22/97/395862297.db2.gz NARDELPYCRTXGE-UHFFFAOYSA-N 0 0 314.349 0.980 50 0 DCAARN CNC(=O)CNC(=O)c1cccc(NC(=O)[C@@]2(C)CCCO2)c1 ZINC000225722795 395863112 /nfs/dbraw/zinc/86/31/12/395863112.db2.gz DKOBSCJECSCPFV-MRXNPFEDSA-N 0 0 319.361 0.670 50 0 DCAARN Cn1c(=O)cccc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000225817006 395863657 /nfs/dbraw/zinc/86/36/57/395863657.db2.gz CJVSFPDMICJHSL-UHFFFAOYSA-N 0 0 318.421 0.520 50 0 DCAARN CC1=C(C(=O)Nc2ccc3n[nH]cc3c2)Cn2nnnc2N1C ZINC000225799194 395863728 /nfs/dbraw/zinc/86/37/28/395863728.db2.gz XFCIWMKGBAWFGT-UHFFFAOYSA-N 0 0 310.321 0.912 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCO[C@@H](Cn3cccn3)C2)on1 ZINC000229503009 395874485 /nfs/dbraw/zinc/87/44/85/395874485.db2.gz FEMMLUGHSVHJFN-QWHCGFSZSA-N 0 0 319.365 0.908 50 0 DCAARN COC(=O)[C@@H]1C[C@H](O)[C@@H](N2CCN(c3ccccn3)CC2)C1 ZINC000229420996 395874783 /nfs/dbraw/zinc/87/47/83/395874783.db2.gz NUWLGYXSMBDISC-IHRRRGAJSA-N 0 0 305.378 0.516 50 0 DCAARN O[C@H](CN1CCO[C@@H](Cn2cncn2)C1)c1ccc(F)cc1F ZINC000229552814 395875639 /nfs/dbraw/zinc/87/56/39/395875639.db2.gz FJYQBIVXOYXEIO-IUODEOHRSA-N 0 0 324.331 0.991 50 0 DCAARN CNC(=O)CNC(=O)[C@@H]1CCN(c2ccc(C)c(C)c2)C1=O ZINC000053120679 395876214 /nfs/dbraw/zinc/87/62/14/395876214.db2.gz SXBNNZXZPLLLFP-ZDUSSCGKSA-N 0 0 303.362 0.519 50 0 DCAARN C[C@H](C(=O)Nc1ncccn1)N1CCN(c2cnccn2)CC1 ZINC000058401477 395953273 /nfs/dbraw/zinc/95/32/73/395953273.db2.gz VNCCHYXQTXJJPP-GFCCVEGCSA-N 0 0 313.365 0.416 50 0 DCAARN CN(Cc1cscn1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000063255434 395975793 /nfs/dbraw/zinc/97/57/93/395975793.db2.gz WYUFGARHHUQNSY-UHFFFAOYSA-N 0 0 306.351 0.053 50 0 DCAARN CCN1CCc2ncnc(N3CCC[C@H]3C(=O)N(C)C)c2C1 ZINC000247973527 395980128 /nfs/dbraw/zinc/98/01/28/395980128.db2.gz HZUUOJRHWXQVGH-AWEZNQCLSA-N 0 0 303.410 0.912 50 0 DCAARN COc1ccccc1CNC(=O)Cn1c(N)nc(C)cc1=O ZINC000065310897 395992387 /nfs/dbraw/zinc/99/23/87/395992387.db2.gz ZNXWJHYHXAPOSE-UHFFFAOYSA-N 0 0 302.334 0.459 50 0 DCAARN CC(=O)N[C@@H]1CCN(c2nccc(N3CCC(O)CC3)n2)C1 ZINC000065418636 395993427 /nfs/dbraw/zinc/99/34/27/395993427.db2.gz XQIGVRVKFCPVQY-GFCCVEGCSA-N 0 0 305.382 0.153 50 0 DCAARN COc1ccnc(N2CCN(C(=O)CCOC(C)C)CC2)n1 ZINC000065614956 395995075 /nfs/dbraw/zinc/99/50/75/395995075.db2.gz FGOLEYHHPTZUPS-UHFFFAOYSA-N 0 0 308.382 0.949 50 0 DCAARN O=C(N[C@@H]1CN(Cc2cccnc2)C[C@H]1CO)c1cccnc1 ZINC000253397761 396027060 /nfs/dbraw/zinc/02/70/60/396027060.db2.gz BQFBWEWYFOGKEZ-JKSUJKDBSA-N 0 0 312.373 0.699 50 0 DCAARN CCOc1ccc(C(=O)N2C[C@@H](CO)[C@H](C(=O)NC)C2)cc1 ZINC000253413062 396028209 /nfs/dbraw/zinc/02/82/09/396028209.db2.gz SXNZUULISQINKA-GXTWGEPZSA-N 0 0 306.362 0.512 50 0 DCAARN CCc1nnc(CN(C)Cc2nc3c(cnn3C)c(=O)[nH]2)o1 ZINC000253536365 396029539 /nfs/dbraw/zinc/02/95/39/396029539.db2.gz ORCLMSMJDVZBFU-UHFFFAOYSA-N 0 0 303.326 0.646 50 0 DCAARN Cn1ncc2c1nc(CN(CCO)Cc1nccs1)[nH]c2=O ZINC000253536445 396029639 /nfs/dbraw/zinc/02/96/39/396029639.db2.gz FWAVGYUSTNWQGO-UHFFFAOYSA-N 0 0 320.378 0.520 50 0 DCAARN CCCn1c(N)c(C(=O)CN2C[C@@H](C)OC[C@H]2C)c(=O)[nH]c1=O ZINC000253531062 396029790 /nfs/dbraw/zinc/02/97/90/396029790.db2.gz HFPQRHRVRTWINY-NXEZZACHSA-N 0 0 324.381 0.233 50 0 DCAARN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N=c1sccn1C ZINC000254855627 396032323 /nfs/dbraw/zinc/03/23/23/396032323.db2.gz UFFDOITUDDMWBK-IUCAKERBSA-N 0 0 305.425 0.478 50 0 DCAARN CC1=C(C(=O)NCCCc2csc(N)n2)[C@H](C)NC(=O)N1 ZINC000067756055 396032712 /nfs/dbraw/zinc/03/27/12/396032712.db2.gz UHGSOKBCRZEWDW-ZETCQYMHSA-N 0 0 309.395 0.749 50 0 DCAARN CC(=O)N1CCc2nnc([C@@H]3CCN(C(=O)C(C)C)C3)n2CC1 ZINC000257183368 396034158 /nfs/dbraw/zinc/03/41/58/396034158.db2.gz HLUYSJVKZUIHLX-CYBMUJFWSA-N 0 0 319.409 0.655 50 0 DCAARN Cc1ccc(C(=O)N[C@@H]2CN(c3ccncn3)C[C@H]2CO)nc1 ZINC000257196901 396035871 /nfs/dbraw/zinc/03/58/71/396035871.db2.gz ZCCFEAKMLFAVMZ-GXTWGEPZSA-N 0 0 313.361 0.407 50 0 DCAARN C[C@@H](Oc1ccccc1)C(=O)N1CCOCCNC(=O)CC1 ZINC000257196173 396036155 /nfs/dbraw/zinc/03/61/55/396036155.db2.gz XSTIKRJJBTXDLR-CYBMUJFWSA-N 0 0 306.362 0.819 50 0 DCAARN C[N@@H+]1CCN(C(=O)CCc2[nH]nc3c2CCCC3)C[C@H]1C(=O)[O-] ZINC000067871738 396036923 /nfs/dbraw/zinc/03/69/23/396036923.db2.gz LTBKSKYMSWGZHK-AWEZNQCLSA-N 0 0 320.393 0.448 50 0 DCAARN CCc1nc(CN(C)[C@@H]2CCN([C@H]3C[C@@H](C)OC3=O)C2)no1 ZINC000257365972 396047148 /nfs/dbraw/zinc/04/71/48/396047148.db2.gz DNVYURGPNXMUQJ-UTUOFQBUSA-N 0 0 308.382 0.842 50 0 DCAARN COCCN1CN(C(=O)NCc2nc(C)c(C)s2)CC1=O ZINC000252482765 396020104 /nfs/dbraw/zinc/02/01/04/396020104.db2.gz DNHXNVIBZSQQDE-UHFFFAOYSA-N 0 0 312.395 0.718 50 0 DCAARN Cc1nonc1CC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000252492022 396021070 /nfs/dbraw/zinc/02/10/70/396021070.db2.gz MBBBSCGHQWKJJO-LBPRGKRZSA-N 0 0 322.365 0.018 50 0 DCAARN COC(=O)CNC(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O ZINC000252495530 396021641 /nfs/dbraw/zinc/02/16/41/396021641.db2.gz OSHGYHFBMLSBFG-LLVKDONJSA-N 0 0 319.317 0.385 50 0 DCAARN O=C(CN1CCC[C@@H](Cn2cncn2)C1)NCc1ccco1 ZINC000069662629 396085839 /nfs/dbraw/zinc/08/58/39/396085839.db2.gz INCNQYQMYGVCRA-CYBMUJFWSA-N 0 0 303.366 0.900 50 0 DCAARN O=C(NCCS(=O)(=O)N1CCc2ccccc21)[C@H]1CCOC1 ZINC000069656297 396086308 /nfs/dbraw/zinc/08/63/08/396086308.db2.gz NWTUPOHIOIPRSP-ZDUSSCGKSA-N 0 0 324.402 0.532 50 0 DCAARN CNC(=O)CN(CCO)Cc1ccccc1Br ZINC000069706874 396087667 /nfs/dbraw/zinc/08/76/67/396087667.db2.gz KNQVNIQNDNARCW-UHFFFAOYSA-N 0 0 301.184 0.989 50 0 DCAARN Cc1noc(C2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)n1 ZINC000069704583 396087931 /nfs/dbraw/zinc/08/79/31/396087931.db2.gz POMFDKDFLVTWTP-UHFFFAOYSA-N 0 0 318.385 0.591 50 0 DCAARN O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1)c1ccco1 ZINC000069776566 396090472 /nfs/dbraw/zinc/09/04/72/396090472.db2.gz DXGKAFQVLBSPIB-VXGBXAGGSA-N 0 0 312.391 0.661 50 0 DCAARN CCC(=O)N1CCN([C@@H]2CCN(Cc3cccnc3)C2=O)CC1 ZINC000169752166 396091195 /nfs/dbraw/zinc/09/11/95/396091195.db2.gz RDCJUBTVKFFGBJ-OAHLLOKOSA-N 0 0 316.405 0.737 50 0 DCAARN CC(C)=CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 ZINC000069841271 396091792 /nfs/dbraw/zinc/09/17/92/396091792.db2.gz KPZQPNVESYWXJW-STQMWFEESA-N 0 0 300.424 0.720 50 0 DCAARN O=C(C1CC1)N1CCC2(CC1)N(CC1CC1)C(=O)C[S@]2=O ZINC000169791754 396093445 /nfs/dbraw/zinc/09/34/45/396093445.db2.gz JIMSEEZKBCPDEZ-OAQYLSRUSA-N 0 0 310.419 0.716 50 0 DCAARN CCOCCOC[C@H](O)CNC(=O)c1ccc(OCC)nc1 ZINC000170611851 396095878 /nfs/dbraw/zinc/09/58/78/396095878.db2.gz PKRRDALMYXIEGI-CYBMUJFWSA-N 0 0 312.366 0.624 50 0 DCAARN C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCc1nc(N)no1 ZINC000170651666 396097102 /nfs/dbraw/zinc/09/71/02/396097102.db2.gz JPDVGYVIAPKTJT-PRHODGIISA-N 0 0 304.306 0.539 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1 ZINC000070017820 396098355 /nfs/dbraw/zinc/09/83/55/396098355.db2.gz OUERHLGTEASADA-CYBMUJFWSA-N 0 0 319.409 0.215 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)C(C)(C)n2cc(Cl)cn2)CC1 ZINC000070040193 396098855 /nfs/dbraw/zinc/09/88/55/396098855.db2.gz CQDCFVAKNDXXJV-NSHDSACASA-N 0 0 314.817 0.797 50 0 DCAARN CC(C)(C)c1cc(NC(=O)C2CN(S(C)(=O)=O)C2)on1 ZINC000070816995 396105210 /nfs/dbraw/zinc/10/52/10/396105210.db2.gz WXSFKPOJCVGAMN-UHFFFAOYSA-N 0 0 301.368 0.802 50 0 DCAARN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)onc2N)C1 ZINC000071195454 396110722 /nfs/dbraw/zinc/11/07/22/396110722.db2.gz FKLYKHNCRJZVCP-SECBINFHSA-N 0 0 317.367 0.529 50 0 DCAARN CN1CC[NH+](C[C@H](CC(=O)NCc2ccccc2)C(=O)[O-])CC1 ZINC000071280381 396112121 /nfs/dbraw/zinc/11/21/21/396112121.db2.gz ISIHODBILGVKTA-HNNXBMFYSA-N 0 0 319.405 0.641 50 0 DCAARN COC[C@H](NC(=O)C(=O)N1CCCCCC1)c1ccnn1C ZINC000071614519 396114061 /nfs/dbraw/zinc/11/40/61/396114061.db2.gz PYMLNNPHYSUDCO-LBPRGKRZSA-N 0 0 308.382 0.626 50 0 DCAARN Cc1cc(-c2nc3ccccc3n2C)c(=O)n(CCC(N)=O)n1 ZINC000071828325 396117017 /nfs/dbraw/zinc/11/70/17/396117017.db2.gz DXIJOHWJSYRZIX-UHFFFAOYSA-N 0 0 311.345 0.981 50 0 DCAARN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cnc2n(c1=O)CCS2 ZINC000071830214 396117775 /nfs/dbraw/zinc/11/77/75/396117775.db2.gz RDXCSXDXKKSYLL-DTWKUNHWSA-N 0 0 322.390 0.075 50 0 DCAARN COc1ccnc(N2CCN(C(=O)Cn3cc(C)cn3)CC2)n1 ZINC000071830311 396117779 /nfs/dbraw/zinc/11/77/79/396117779.db2.gz KJKQVSSJMADTLK-UHFFFAOYSA-N 0 0 316.365 0.339 50 0 DCAARN COc1cccc(CC(=O)N2CCN([C@@H]3CCOC3=O)CC2)c1 ZINC000071832822 396117881 /nfs/dbraw/zinc/11/78/81/396117881.db2.gz AMYMJIOAQVCFMH-OAHLLOKOSA-N 0 0 318.373 0.697 50 0 DCAARN CN(Cc1nnnn1C1CC1)C[C@H]1CCCN1c1cccnn1 ZINC000071860031 396119511 /nfs/dbraw/zinc/11/95/11/396119511.db2.gz LEWKLYNFKCMPIX-CYBMUJFWSA-N 0 0 314.397 0.899 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)CC1 ZINC000071871373 396120257 /nfs/dbraw/zinc/12/02/57/396120257.db2.gz UEDIRJWTEAIEQN-NSHDSACASA-N 0 0 318.377 0.005 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)COCCc2ccccc2)CC1 ZINC000071871429 396120645 /nfs/dbraw/zinc/12/06/45/396120645.db2.gz YQZFKJUVODREQH-OAHLLOKOSA-N 0 0 306.406 0.771 50 0 DCAARN CN(CC(=O)N1CCOCC1)CN1C(=O)c2ccccc2C1=O ZINC000071896878 396123803 /nfs/dbraw/zinc/12/38/03/396123803.db2.gz RAYMNKIYJPYTOB-UHFFFAOYSA-N 0 0 317.345 0.031 50 0 DCAARN CNC(=O)c1ccc(N2CCC[C@H](c3nc(C)no3)C2)nn1 ZINC000071922425 396125286 /nfs/dbraw/zinc/12/52/86/396125286.db2.gz SOIBPSVTTMPGJQ-JTQLQIEISA-N 0 0 302.338 0.912 50 0 DCAARN Cc1cc(C)n([C@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)n1 ZINC000072235655 396126899 /nfs/dbraw/zinc/12/68/99/396126899.db2.gz REMNCOCANBBDCG-LBPRGKRZSA-N 0 0 319.365 0.215 50 0 DCAARN Cc1nc(C)n([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)n1 ZINC000072235401 396127251 /nfs/dbraw/zinc/12/72/51/396127251.db2.gz DGHSZGZGOCSYLV-STQMWFEESA-N 0 0 305.382 0.537 50 0 DCAARN CN(C)c1cc2c(nn1)CCN(C(=O)c1n[nH]c3c1CCC3)C2 ZINC000072279527 396128702 /nfs/dbraw/zinc/12/87/02/396128702.db2.gz IYYHLPUOBZKNCS-UHFFFAOYSA-N 0 0 312.377 0.953 50 0 DCAARN Cc1cn2c(n1)CC[C@@H](NC(=O)Cn1nc(C)ccc1=O)C2 ZINC000072271744 396129075 /nfs/dbraw/zinc/12/90/75/396129075.db2.gz NMJKRAIJMZOBSO-GFCCVEGCSA-N 0 0 301.350 0.188 50 0 DCAARN CN(C)[C@H](CNC(=O)NCC[C@H]1CCCO1)c1cnn(C)c1 ZINC000072287686 396129830 /nfs/dbraw/zinc/12/98/30/396129830.db2.gz GDFQDTNYPJDSRN-ZIAGYGMSSA-N 0 0 309.414 0.891 50 0 DCAARN CN(C)[C@@H](CNC(=O)NCC[C@@H]1CCCO1)c1cnn(C)c1 ZINC000072287685 396129840 /nfs/dbraw/zinc/12/98/40/396129840.db2.gz GDFQDTNYPJDSRN-KBPBESRZSA-N 0 0 309.414 0.891 50 0 DCAARN CONC(=O)c1cc2c(cc1Br)n(C)c(=O)n2C ZINC000072291619 396130136 /nfs/dbraw/zinc/13/01/36/396130136.db2.gz MCOSQLNZXGRANO-UHFFFAOYSA-N 0 0 314.139 0.931 50 0 DCAARN O=C(CCCn1ccnc1)N1CCN(Cc2ccon2)CC1 ZINC000072297684 396130872 /nfs/dbraw/zinc/13/08/72/396130872.db2.gz UUDNPAJCYWHNRJ-UHFFFAOYSA-N 0 0 303.366 0.996 50 0 DCAARN COc1ccnc(N2CCN(C(=O)c3cccn3C)CC2)n1 ZINC000069371441 396075879 /nfs/dbraw/zinc/07/58/79/396075879.db2.gz LRKVZZXUGQYSBU-UHFFFAOYSA-N 0 0 301.350 0.786 50 0 DCAARN C[C@H](C(=O)Nc1ncccn1)N1CCO[C@H](Cn2cccn2)C1 ZINC000069372465 396076257 /nfs/dbraw/zinc/07/62/57/396076257.db2.gz NOPCWEPEZSOWQO-OLZOCXBDSA-N 0 0 316.365 0.401 50 0 DCAARN Cn1c(CN2CCO[C@@H](Cn3cccn3)C2)nnc1C1CC1 ZINC000069391802 396077628 /nfs/dbraw/zinc/07/76/28/396077628.db2.gz MAJDRQYLEGICSY-CYBMUJFWSA-N 0 0 302.382 0.790 50 0 DCAARN CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C1CCCC1 ZINC000069420241 396077830 /nfs/dbraw/zinc/07/78/30/396077830.db2.gz SGDOFIFHCLQBDA-UHFFFAOYSA-N 0 0 316.361 0.647 50 0 DCAARN CCn1ccnc1CN1CCN(CCS(C)(=O)=O)CC1 ZINC000069436565 396078181 /nfs/dbraw/zinc/07/81/81/396078181.db2.gz CHNBXRMRTJRDAY-UHFFFAOYSA-N 0 0 300.428 0.065 50 0 DCAARN Cc1noc([C@H](C)N2CCN(CCCS(C)(=O)=O)CC2)n1 ZINC000069534231 396082003 /nfs/dbraw/zinc/08/20/03/396082003.db2.gz WOWJELRPQRBZPY-NSHDSACASA-N 0 0 316.427 0.491 50 0 DCAARN O=S(=O)(NCCN1CCc2cncnc2C1)c1ccccc1 ZINC000069565126 396082566 /nfs/dbraw/zinc/08/25/66/396082566.db2.gz DAXLWYPJDMKDDW-UHFFFAOYSA-N 0 0 318.402 0.813 50 0 DCAARN CCOCC(=O)N1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000069564971 396082783 /nfs/dbraw/zinc/08/27/83/396082783.db2.gz AEVAAJWGCNXZKV-UHFFFAOYSA-N 0 0 308.382 0.869 50 0 DCAARN C[C@@]12CCC(=O)N1[C@H](C(=O)OCCNc1ncccn1)CS2 ZINC000069590837 396083901 /nfs/dbraw/zinc/08/39/01/396083901.db2.gz YOJJOUMKRQSUOK-IINYFYTJSA-N 0 0 322.390 0.886 50 0 DCAARN CCn1c(CN2CCO[C@@H](C(N)=O)C2)nc2c1cccc2F ZINC000069594615 396084283 /nfs/dbraw/zinc/08/42/83/396084283.db2.gz RJLRFZNQEIGMON-GFCCVEGCSA-N 0 0 306.341 0.881 50 0 DCAARN COC(=O)[C@H](NC(=O)Cn1ncc2ccccc2c1=O)C(C)C ZINC000074088858 396156986 /nfs/dbraw/zinc/15/69/86/396156986.db2.gz PVCGJOZIMFTVQL-CQSZACIVSA-N 0 0 317.345 0.710 50 0 DCAARN Cc1nc(CN2CCCN(CC(=O)N(C)CC3CC3)CC2)no1 ZINC000075603202 396182506 /nfs/dbraw/zinc/18/25/06/396182506.db2.gz UPXREZIXLMPCJI-UHFFFAOYSA-N 0 0 321.425 0.754 50 0 DCAARN COC(=O)c1ccc(-c2nnn(CCS(C)(=O)=O)n2)cc1 ZINC000076040561 396191716 /nfs/dbraw/zinc/19/17/16/396191716.db2.gz SZKHVYIBKBBVDE-UHFFFAOYSA-N 0 0 310.335 0.171 50 0 DCAARN C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1N1CCOCC1 ZINC000076053115 396195000 /nfs/dbraw/zinc/19/50/00/396195000.db2.gz RDNKBOIDZDPPGV-ZIAGYGMSSA-N 0 0 307.398 0.237 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2)CCO1 ZINC000078718407 396252644 /nfs/dbraw/zinc/25/26/44/396252644.db2.gz KNTKULZCYLOMSX-UPJWGTAASA-N 0 0 307.325 0.577 50 0 DCAARN COC(=O)c1cccc(-c2nnn(CC(=O)N(C)C3CC3)n2)c1 ZINC000078876819 396256072 /nfs/dbraw/zinc/25/60/72/396256072.db2.gz XZRHVCLJGIXOPX-UHFFFAOYSA-N 0 0 315.333 0.748 50 0 DCAARN Cc1ccc(C)c(CC(=O)NC[C@@H](O)CN2CCCC2=O)c1 ZINC000078995036 396259449 /nfs/dbraw/zinc/25/94/49/396259449.db2.gz OGDWSRHAOWDQJD-OAHLLOKOSA-N 0 0 304.390 0.945 50 0 DCAARN O=c1cc(CN2CCOC[C@@H](CO)C2)nc2ccc(Cl)cn12 ZINC000077406520 396221324 /nfs/dbraw/zinc/22/13/24/396221324.db2.gz WQYAPDPKEVOISX-LLVKDONJSA-N 0 0 323.780 0.789 50 0 DCAARN Cc1nn(C)c2nc(C)cc(C(=O)N3CCOC[C@H](O)C3)c12 ZINC000077407279 396221534 /nfs/dbraw/zinc/22/15/34/396221534.db2.gz KHFKBTPOTAWDLA-LLVKDONJSA-N 0 0 304.350 0.418 50 0 DCAARN COCCn1cnnc1CN(C)C(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC000077437268 396222458 /nfs/dbraw/zinc/22/24/58/396222458.db2.gz PBZQIIFNGHFRMH-GFCCVEGCSA-N 0 0 323.397 0.140 50 0 DCAARN O=C(c1cccs1)N1CCC([NH2+]Cc2n[nH]c(=O)[n-]2)CC1 ZINC000584884563 396631619 /nfs/dbraw/zinc/63/16/19/396631619.db2.gz DCPLTUAMVRWAMG-UHFFFAOYSA-N 0 0 307.379 0.966 50 0 DCAARN CN1C[C@H](CNC(=O)c2cccc3c2NCCC3)OCC1=O ZINC000584884223 396631791 /nfs/dbraw/zinc/63/17/91/396631791.db2.gz YJVWFNQMUZWEPY-LBPRGKRZSA-N 0 0 303.362 0.632 50 0 DCAARN CCCN1C(=O)N[C@H](CC(=O)N2CCC(OCC)CC2)C1=O ZINC000584885400 396632316 /nfs/dbraw/zinc/63/23/16/396632316.db2.gz JWKZRWVTXOFHOX-GFCCVEGCSA-N 0 0 311.382 0.734 50 0 DCAARN O=C([C@@H]1CCCCn2nnnc21)N1CCC2(CNC(=O)O2)CC1 ZINC000584898274 396635444 /nfs/dbraw/zinc/63/54/44/396635444.db2.gz HYZVVDJQIHJILY-SNVBAGLBSA-N 0 0 320.353 0.042 50 0 DCAARN Cc1noc(C)c1CCC(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000584898305 396635467 /nfs/dbraw/zinc/63/54/67/396635467.db2.gz QILPQFAWBMZQJJ-UHFFFAOYSA-N 0 0 305.338 0.661 50 0 DCAARN CCO[C@@H](CS(=O)(=O)N1CC(=O)N(C)[C@@H](C)C1)C1CC1 ZINC000625189369 396798505 /nfs/dbraw/zinc/79/85/05/396798505.db2.gz QUDMOYWZBCCCHS-JQWIXIFHSA-N 0 0 304.412 0.294 50 0 DCAARN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](N2CCOCC2)C1 ZINC000572234512 397036663 /nfs/dbraw/zinc/03/66/63/397036663.db2.gz BYIGXIKZCWABDS-GFCCVEGCSA-N 0 0 323.353 0.115 50 0 DCAARN O=C(c1cnccn1)N1CC(n2cnnc2[C@H]2CCCO2)C1 ZINC000409421617 397359182 /nfs/dbraw/zinc/35/91/82/397359182.db2.gz IGWVYAHSLASSFR-GFCCVEGCSA-N 0 0 300.322 0.617 50 0 DCAARN CCOC(=O)N[C@]1(C(F)(F)F)C(=O)NC(C)=C1C(=O)OC ZINC000100212502 285833340 /nfs/dbraw/zinc/83/33/40/285833340.db2.gz UQWDYEJQTWTUHO-JTQLQIEISA-N 0 0 310.228 0.610 50 0 DCAARN CN(Cc1ccccc1)C(=O)CCC(=O)N1CCNC(=O)C1 ZINC000604419483 397639796 /nfs/dbraw/zinc/63/97/96/397639796.db2.gz DHWNMFMSRZSOEJ-UHFFFAOYSA-N 0 0 303.362 0.384 50 0 DCAARN O=C(Cn1cccn1)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000608559039 397737668 /nfs/dbraw/zinc/73/76/68/397737668.db2.gz IMEGWEQCSRHMGT-CQSZACIVSA-N 0 0 320.393 0.513 50 0 DCAARN Cc1ccc(N2CC(=O)N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000008974253 292128989 /nfs/dbraw/zinc/12/89/89/292128989.db2.gz YDLVTWODJUFORV-NEPJUHHUSA-N 0 0 314.794 0.750 50 0 DCAARN COc1ccc([C@@H]2NC(=O)Nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000020745538 286364533 /nfs/dbraw/zinc/36/45/33/286364533.db2.gz MTFBQKCCIWXMDB-JTQLQIEISA-N 0 0 302.290 0.307 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)NCc2cc(C)no2)cc1 ZINC000057923190 158025970 /nfs/dbraw/zinc/02/59/70/158025970.db2.gz NXELENYEDRTGEZ-UHFFFAOYSA-N 0 0 309.347 0.821 50 0 DCAARN O=C1C[C@H](NS(=O)(=O)C[C@H]2CCCO2)[C@H]2CCCCN12 ZINC000328755142 159027558 /nfs/dbraw/zinc/02/75/58/159027558.db2.gz STLMXVQVMHHIKG-GRYCIOLGSA-N 0 0 302.396 0.238 50 0 DCAARN Cn1cc([C@@H]2CCCCN2C(=O)c2ccc(=O)n(C)n2)cn1 ZINC000328911058 159040959 /nfs/dbraw/zinc/04/09/59/159040959.db2.gz NXIKQANHGGDVLK-ZDUSSCGKSA-N 0 0 301.350 0.881 50 0 DCAARN Cc1cccc2c1OCC[C@H]2NS(=O)(=O)c1cnnn1C ZINC000330114460 159143396 /nfs/dbraw/zinc/14/33/96/159143396.db2.gz STUUMBUZWRGJGR-LLVKDONJSA-N 0 0 308.363 0.926 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CCn1ccnc1 ZINC000330519150 159185551 /nfs/dbraw/zinc/18/55/51/159185551.db2.gz YXHMJTZXRHSZFW-GFCCVEGCSA-N 0 0 314.411 0.204 50 0 DCAARN CO[C@@H]1CC[C@@H]2OCCN(C(=O)CS(=O)(=O)C(C)C)[C@H]2C1 ZINC000407993259 160005323 /nfs/dbraw/zinc/00/53/23/160005323.db2.gz MLPPHCCPSGOGHE-AGIUHOORSA-N 0 0 319.423 0.605 50 0 DCAARN C[C@@H]1CN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C[C@H](C)O1 ZINC000021276823 296810186 /nfs/dbraw/zinc/81/01/86/296810186.db2.gz GKUPSWCTPRNJAP-MPZDIEGVSA-N 0 0 306.362 0.573 50 0 DCAARN CC(=O)N1CCN(C(=O)CNC(C)(C)c2nccs2)CC1 ZINC000072662762 286911225 /nfs/dbraw/zinc/91/12/25/286911225.db2.gz QCRHASTZYXZFIC-UHFFFAOYSA-N 0 0 310.423 0.659 50 0 DCAARN CC[C@@H]1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000004337531 287016798 /nfs/dbraw/zinc/01/67/98/287016798.db2.gz RNPLDGOFLWGKMG-SNVBAGLBSA-N 0 0 315.395 0.037 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000069899352 287092806 /nfs/dbraw/zinc/09/28/06/287092806.db2.gz AWKBUITWWKKJDP-ZIAGYGMSSA-N 0 0 323.437 0.303 50 0 DCAARN COC[C@@H](C)NC(=O)Cn1cc(Br)ccc1=O ZINC000014124121 415150540 /nfs/dbraw/zinc/15/05/40/415150540.db2.gz SLWVMKOFXOWXQT-MRVPVSSYSA-N 0 0 303.156 0.762 50 0 DCAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)s1 ZINC000025205862 415158412 /nfs/dbraw/zinc/15/84/12/415158412.db2.gz BKZQTOXFWYXLTP-UHFFFAOYSA-N 0 0 317.436 0.621 50 0 DCAARN CN(C(=O)COC(=O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000025118408 415159301 /nfs/dbraw/zinc/15/93/01/415159301.db2.gz JOOCPAFPASEBKV-JTQLQIEISA-N 0 0 317.388 0.550 50 0 DCAARN Cn1cc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cn1 ZINC000025384239 415162692 /nfs/dbraw/zinc/16/26/92/415162692.db2.gz SCCIZZKVUYVQCV-UHFFFAOYSA-N 0 0 319.409 0.190 50 0 DCAARN Cc1noc(COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)n1 ZINC000025446796 415162891 /nfs/dbraw/zinc/16/28/91/415162891.db2.gz NFMAJBIHAKIJFK-UWVGGRQHSA-N 0 0 307.306 0.596 50 0 DCAARN Nn1cnn2c(SCC(=O)Nc3cccnc3Cl)nnc12 ZINC000001066297 415125906 /nfs/dbraw/zinc/12/59/06/415125906.db2.gz BIWJPPOWICDJSH-UHFFFAOYSA-N 0 0 324.757 0.419 50 0 DCAARN CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CCCO2)cc1 ZINC000025407125 415163692 /nfs/dbraw/zinc/16/36/92/415163692.db2.gz QGXJXFPQESJSNW-CYBMUJFWSA-N 0 0 312.391 0.531 50 0 DCAARN Cc1ccc(Cn2c(=O)[nH]c3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000005442899 415134849 /nfs/dbraw/zinc/13/48/49/415134849.db2.gz CRINLIITPJQNAH-UHFFFAOYSA-N 0 0 300.318 0.496 50 0 DCAARN CN(CCCNC(=O)CSc1nnnn1C)c1ccccc1 ZINC000007352682 415136977 /nfs/dbraw/zinc/13/69/77/415136977.db2.gz KHGMQBCKPOMIDK-UHFFFAOYSA-N 0 0 320.422 0.945 50 0 DCAARN Cc1nn(CC(=O)NC(C)C)c(C)c1S(=O)(=O)N(C)C ZINC000007024269 415137118 /nfs/dbraw/zinc/13/71/18/415137118.db2.gz MEHKMYYNAQZEQM-UHFFFAOYSA-N 0 0 302.400 0.275 50 0 DCAARN CCN(CC)S(=O)(=O)c1ccc(SCC(=O)NC)nc1 ZINC000007051801 415138569 /nfs/dbraw/zinc/13/85/69/415138569.db2.gz UKIYIDHSFDDUBS-UHFFFAOYSA-N 0 0 317.436 0.950 50 0 DCAARN CCc1ccc(-c2nnn(CC(=O)N3CCNC3=O)n2)cc1 ZINC000007041320 415138581 /nfs/dbraw/zinc/13/85/81/415138581.db2.gz XJGAGZUNGNPELY-UHFFFAOYSA-N 0 0 300.322 0.454 50 0 DCAARN COC[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 ZINC000007376973 415139932 /nfs/dbraw/zinc/13/99/32/415139932.db2.gz SBXWWLQTHGVEFZ-VIFPVBQESA-N 0 0 316.379 0.967 50 0 DCAARN Cc1cc(C)n(-c2nnc(SCC(=O)NC3CC3)n2N)n1 ZINC000007530347 415142167 /nfs/dbraw/zinc/14/21/67/415142167.db2.gz IJBFAQYTGNRLDI-UHFFFAOYSA-N 0 0 307.383 0.165 50 0 DCAARN C[C@H]1C[C@@H]1C(=O)OCC(=O)N1CCN(c2ncccn2)CC1 ZINC000008099968 415145461 /nfs/dbraw/zinc/14/54/61/415145461.db2.gz WPALNQXJVWKFGV-RYUDHWBXSA-N 0 0 304.350 0.324 50 0 DCAARN C[C@H]1CN(C(=O)CNc2ccc3c(c2)C(=O)N(C)C3=O)CCO1 ZINC000025737015 415165170 /nfs/dbraw/zinc/16/51/70/415165170.db2.gz AFHIKXZEIMPTIV-JTQLQIEISA-N 0 0 317.345 0.572 50 0 DCAARN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000331649083 415171050 /nfs/dbraw/zinc/17/10/50/415171050.db2.gz QQHLTQRLEOBLKY-ZWNOBZJWSA-N 0 0 317.349 0.954 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H]2CCCO2)n(C)c1 ZINC000027883799 415173665 /nfs/dbraw/zinc/17/36/65/415173665.db2.gz AAVPNTYKALHYSJ-BXKDBHETSA-N 0 0 315.395 0.231 50 0 DCAARN O=S(=O)(NCc1nccc2ccccc21)N1CCOCC1 ZINC000044896252 415232726 /nfs/dbraw/zinc/23/27/26/415232726.db2.gz NCJRWVRERYVEHM-UHFFFAOYSA-N 0 0 307.375 0.901 50 0 DCAARN COC[C@@H](C)NC(=O)CS(=O)(=O)c1ccc(F)cc1F ZINC000044948302 415235267 /nfs/dbraw/zinc/23/52/67/415235267.db2.gz ORDRXQSEVDERJN-MRVPVSSYSA-N 0 0 307.318 0.890 50 0 DCAARN C[C@@H](C(=O)NCc1cnn(Cc2ccccc2)c1)S(C)(=O)=O ZINC000044952489 415237685 /nfs/dbraw/zinc/23/76/85/415237685.db2.gz DLSGIJMCYNALEZ-LBPRGKRZSA-N 0 0 321.402 0.981 50 0 DCAARN O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1ccncc1 ZINC000044967837 415238257 /nfs/dbraw/zinc/23/82/57/415238257.db2.gz FXJYSNDRWBJSAY-DZGCQCFKSA-N 0 0 320.393 0.940 50 0 DCAARN C[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)N1CCc2ccccc21 ZINC000044952190 415240674 /nfs/dbraw/zinc/24/06/74/415240674.db2.gz SBHIWGXQICCJPH-NEPJUHHUSA-N 0 0 310.419 0.987 50 0 DCAARN C[C@@H]1CCCN(S(=O)(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000045797415 415251378 /nfs/dbraw/zinc/25/13/78/415251378.db2.gz KXMJSFCJBHFMIF-CYBMUJFWSA-N 0 0 319.471 0.664 50 0 DCAARN C[C@H]1COCCN1C(=O)NCc1cccnc1-n1cncn1 ZINC000046096559 415256341 /nfs/dbraw/zinc/25/63/41/415256341.db2.gz FWDGYGRNSMLHLU-NSHDSACASA-N 0 0 302.338 0.593 50 0 DCAARN O=C(c1cnc2n(c1=O)CCS2)N(C[C@@H]1CCOC1)C1CC1 ZINC000046937448 415262270 /nfs/dbraw/zinc/26/22/70/415262270.db2.gz BXHYJYMXDUEBGF-JTQLQIEISA-N 0 0 321.402 0.990 50 0 DCAARN O=C(NCCNC(=O)C1CCN(CC(F)(F)F)CC1)C1CC1 ZINC000044835224 415226913 /nfs/dbraw/zinc/22/69/13/415226913.db2.gz YVCZMGKGPVKTEW-UHFFFAOYSA-N 0 0 321.343 0.903 50 0 DCAARN O=C(CSc1ccccc1)N1CCC2(CC1)NC(=O)NC2=O ZINC000044894552 415227727 /nfs/dbraw/zinc/22/77/27/415227727.db2.gz YQVVLFPHVUGUNP-UHFFFAOYSA-N 0 0 319.386 0.979 50 0 DCAARN C[C@H]1CN(C(=O)CN2CCN(c3nccs3)CC2)CCO1 ZINC000044894434 415227938 /nfs/dbraw/zinc/22/79/38/415227938.db2.gz DSWGBTLKOBXDHT-LBPRGKRZSA-N 0 0 310.423 0.512 50 0 DCAARN CS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000044873757 415228158 /nfs/dbraw/zinc/22/81/58/415228158.db2.gz HFSZVESTCJTBFW-SNVBAGLBSA-N 0 0 317.388 0.007 50 0 DCAARN CN(Cc1ccccc1)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000044892928 415228874 /nfs/dbraw/zinc/22/88/74/415228874.db2.gz RPPWPCIAECBTAV-MDZDMXLPSA-N 0 0 313.357 0.756 50 0 DCAARN Cc1nnc(-c2ccc(NC(=O)C(=O)N3CCOCC3)cc2)o1 ZINC000044892346 415229750 /nfs/dbraw/zinc/22/97/50/415229750.db2.gz NSAKXLNGQSAQAQ-UHFFFAOYSA-N 0 0 316.317 0.842 50 0 DCAARN O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1ccccn1 ZINC000044911474 415231721 /nfs/dbraw/zinc/23/17/21/415231721.db2.gz WFXUIMCVQWSSBG-HIFRSBDPSA-N 0 0 305.378 0.549 50 0 DCAARN C[C@H]1COCCN1C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000044912270 415231901 /nfs/dbraw/zinc/23/19/01/415231901.db2.gz ZPQGUYDSTHOOCH-FZMZJTMJSA-N 0 0 316.361 0.354 50 0 DCAARN Cc1cnc(C(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cn1 ZINC000044911430 415232159 /nfs/dbraw/zinc/23/21/59/415232159.db2.gz OJHYNOCFQBHERX-UKRRQHHQSA-N 0 0 320.393 0.252 50 0 DCAARN COc1ccc(OC[C@H](O)CN2CCS(=O)(=O)CC2)cc1 ZINC000063598663 415351620 /nfs/dbraw/zinc/35/16/20/415351620.db2.gz GUWJIXOTLBOQJX-GFCCVEGCSA-N 0 0 315.391 0.165 50 0 DCAARN C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1nnc2n1CCC2 ZINC000048253531 415286008 /nfs/dbraw/zinc/28/60/08/415286008.db2.gz MKJKZXLZAPGJIC-ZYHUDNBSSA-N 0 0 317.393 0.660 50 0 DCAARN COCCOc1ccc(CNC(=O)[C@@H]2CCC(=O)NC2)cn1 ZINC000048390413 415291323 /nfs/dbraw/zinc/29/13/23/415291323.db2.gz WUGOIVJVWKMNJR-GFCCVEGCSA-N 0 0 307.350 0.249 50 0 DCAARN CN(C)C(=O)CNC(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000048355578 415291949 /nfs/dbraw/zinc/29/19/49/415291949.db2.gz HEIAPWHVPVDPFR-UHFFFAOYSA-N 0 0 320.349 0.849 50 0 DCAARN O=C(NCCCN1CCOCC1)c1ccc2c(c1)NC(=O)CO2 ZINC000060781107 415348420 /nfs/dbraw/zinc/34/84/20/415348420.db2.gz CKYXEOQQBFGALW-UHFFFAOYSA-N 0 0 319.361 0.470 50 0 DCAARN Cn1ncc2c1ncnc2N1CCCN(c2ncccn2)CC1 ZINC000069560680 415401719 /nfs/dbraw/zinc/40/17/19/415401719.db2.gz MBBPIMVQVSUUDA-UHFFFAOYSA-N 0 0 310.365 0.870 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)CCOCC(F)(F)F)CC1 ZINC000069919181 415403362 /nfs/dbraw/zinc/40/33/62/415403362.db2.gz XSXODPNKOLEXCH-LLVKDONJSA-N 0 0 312.332 0.871 50 0 DCAARN NC(=O)CN1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000071829243 415408901 /nfs/dbraw/zinc/40/89/01/415408901.db2.gz BFWDDZMVZGGZHA-GJZGRUSLSA-N 0 0 301.390 0.810 50 0 DCAARN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-n2cccn2)nc1 ZINC000071829665 415410446 /nfs/dbraw/zinc/41/04/46/415410446.db2.gz UCRCKXQQHLUDQB-DGCLKSJQSA-N 0 0 313.361 0.993 50 0 DCAARN C[C@@H]1CCCN(c2nc3ncn(CC(N)=O)c(=O)c3s2)C1 ZINC000067239633 415375678 /nfs/dbraw/zinc/37/56/78/415375678.db2.gz MXUMLIDVMCOISM-MRVPVSSYSA-N 0 0 307.379 0.575 50 0 DCAARN CCO[C@H]1COC[C@@H]1NC(=O)c1nnc2nc(C)cc(C)n21 ZINC000067541623 415379580 /nfs/dbraw/zinc/37/95/80/415379580.db2.gz POYGCEXESXQJGL-QWRGUYRKSA-N 0 0 305.338 0.275 50 0 DCAARN CC1=C(C(=O)NCCc2[nH]nc3c2CCCC3)[C@@H](C)NC(=O)N1 ZINC000067679144 415385038 /nfs/dbraw/zinc/38/50/38/415385038.db2.gz JGGYANLBNHZTSK-SECBINFHSA-N 0 0 317.393 0.923 50 0 DCAARN Cc1ccccc1CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000084243930 415493014 /nfs/dbraw/zinc/49/30/14/415493014.db2.gz WVOCCNFSZVPIKU-HZPDHXFCSA-N 0 0 324.446 0.271 50 0 DCAARN Cc1nn2c(nc(C)cc2C)c1C(=O)NC[C@@H]1COCCO1 ZINC000084109757 415493548 /nfs/dbraw/zinc/49/35/48/415493548.db2.gz ACMFKPLYDXZBAE-GFCCVEGCSA-N 0 0 304.350 0.800 50 0 DCAARN COc1ccnc(N2CCO[C@H](Cn3nc(C)nc3C)C2)n1 ZINC000075128649 415437066 /nfs/dbraw/zinc/43/70/66/415437066.db2.gz UTSIDYBDQPVENZ-LBPRGKRZSA-N 0 0 304.354 0.599 50 0 DCAARN CSC[C@](C)(O)CNC(=O)C(=O)NCc1ccc(F)cc1 ZINC000075157325 415439457 /nfs/dbraw/zinc/43/94/57/415439457.db2.gz CNRIJWDXQBXSLW-CQSZACIVSA-N 0 0 314.382 0.672 50 0 DCAARN C[C@@H](COCc1ccccc1)C(=O)N1CCN(CCO)CC1 ZINC000075572791 415445410 /nfs/dbraw/zinc/44/54/10/415445410.db2.gz SWDNIHMLQPHPSD-HNNXBMFYSA-N 0 0 306.406 0.976 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1 ZINC000075602874 415448205 /nfs/dbraw/zinc/44/82/05/415448205.db2.gz JYMHXDAQCIMWAY-LBPRGKRZSA-N 0 0 315.373 0.667 50 0 DCAARN O=c1c2c(cnn1CN1CCN(c3ccccn3)CC1)CCC2 ZINC000094993137 415549713 /nfs/dbraw/zinc/54/97/13/415549713.db2.gz LFRLULAEQIZKGS-UHFFFAOYSA-N 0 0 311.389 0.907 50 0 DCAARN Cc1nccn1Cc1nnc([C@@H]2CCC[N@H+](CC(=O)[O-])C2)n1C ZINC000095362314 415555435 /nfs/dbraw/zinc/55/54/35/415555435.db2.gz CYDNVAZBYNBJCN-GFCCVEGCSA-N 0 0 318.381 0.632 50 0 DCAARN CN(C)[C@@H](C(=O)NCc1cc(=O)[nH]cn1)c1cccc(F)c1 ZINC000095384103 415557122 /nfs/dbraw/zinc/55/71/22/415557122.db2.gz LBGNPDFYYOWNDE-CQSZACIVSA-N 0 0 304.325 0.828 50 0 DCAARN O=C([C@H]1CC(=O)N(Cc2cccnc2)C1)N1CCCOCC1 ZINC000095378783 415558064 /nfs/dbraw/zinc/55/80/64/415558064.db2.gz COTLAODECSLQNK-AWEZNQCLSA-N 0 0 303.362 0.679 50 0 DCAARN Cc1nc(CNC(=O)CN(C)c2ncnc3nc[nH]c32)cs1 ZINC000095954298 415563668 /nfs/dbraw/zinc/56/36/68/415563668.db2.gz QDRKNQZKFLCWMI-UHFFFAOYSA-N 0 0 317.378 0.870 50 0 DCAARN CCOC(=O)[C@](C)(O)CNC(=O)c1noc(-c2cccnc2)n1 ZINC000095942226 415565053 /nfs/dbraw/zinc/56/50/53/415565053.db2.gz UUQSKMYKIRYSRF-CQSZACIVSA-N 0 0 320.305 0.176 50 0 DCAARN CN1CCN(CC(=O)NCc2cccc3cccnc32)CC1=O ZINC000095942148 415565284 /nfs/dbraw/zinc/56/52/84/415565284.db2.gz MHDBZXSSQOHKSK-UHFFFAOYSA-N 0 0 312.373 0.625 50 0 DCAARN Cn1cnc(S(=O)(=O)NC[C@]2(O)CCc3ccccc32)c1 ZINC000096025815 415573661 /nfs/dbraw/zinc/57/36/61/415573661.db2.gz VTMVLBMYCZYFNF-CQSZACIVSA-N 0 0 307.375 0.532 50 0 DCAARN Cn1cc(/C=C\C(=O)NCCc2cccs2)c(=O)n(C)c1=O ZINC000103349916 415618606 /nfs/dbraw/zinc/61/86/06/415618606.db2.gz WZMQWGLVHNGPGF-WAYWQWQTSA-N 0 0 319.386 0.518 50 0 DCAARN C[C@@H]1CN(C[C@@H](O)Cn2ncc3ccccc3c2=O)C[C@@H](C)O1 ZINC000106830529 415647425 /nfs/dbraw/zinc/64/74/25/415647425.db2.gz MBNRMGZISLNHAU-UMVBOHGHSA-N 0 0 317.389 0.867 50 0 DCAARN CCCn1nc(C(=O)N[C@@H]2CCc3nccn3C2)ccc1=O ZINC000097197594 415584696 /nfs/dbraw/zinc/58/46/96/415584696.db2.gz KAUIICNQQHIWEY-LLVKDONJSA-N 0 0 301.350 0.595 50 0 DCAARN COCCS(=O)(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000101572692 415595947 /nfs/dbraw/zinc/59/59/47/415595947.db2.gz RDFRIZXRORDOSQ-UHFFFAOYSA-N 0 0 313.423 0.612 50 0 DCAARN COCCNC(=O)CN1CC(=O)C(c2nc(C)cs2)=C1N ZINC000102737896 415599364 /nfs/dbraw/zinc/59/93/64/415599364.db2.gz UOJBIXHMCQMDNF-UHFFFAOYSA-N 0 0 310.379 0.776 50 0 DCAARN Cc1ccc(N2CC(=O)N[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000102790049 415600131 /nfs/dbraw/zinc/60/01/31/415600131.db2.gz YDLVTWODJUFORV-NWDGAFQWSA-N 0 0 314.794 0.750 50 0 DCAARN CC(C)c1n[nH]c([C@@H]2CN(C[C@@H](O)Cn3cccn3)CCO2)n1 ZINC000107354485 415665833 /nfs/dbraw/zinc/66/58/33/415665833.db2.gz KVILTWLDAVGRQI-OLZOCXBDSA-N 0 0 320.397 0.559 50 0 DCAARN CC[C@@H]1CN(C(=O)[C@H](C)OCCOC)C[C@H]1N1CCOCC1 ZINC000107354703 415668576 /nfs/dbraw/zinc/66/85/76/415668576.db2.gz SOZVLGXDJCQNGJ-RRFJBIMHSA-N 0 0 314.426 0.607 50 0 DCAARN Cn1cc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)c2ccccc21 ZINC000299770615 416065348 /nfs/dbraw/zinc/06/53/48/416065348.db2.gz XALCBBFRZQMQMC-NSHDSACASA-N 0 0 321.402 0.929 50 0 DCAARN Cc1cc(C)cc(CN2CCN(C(=O)c3cn[nH]n3)CC2=O)c1 ZINC000299764349 416065400 /nfs/dbraw/zinc/06/54/00/416065400.db2.gz ULRZXYMBBJLYQL-UHFFFAOYSA-N 0 0 313.361 0.906 50 0 DCAARN Cc1cc(C)nc(S[C@@H](C)C(=O)NCCN2CCNC2=O)n1 ZINC000299762651 416065534 /nfs/dbraw/zinc/06/55/34/416065534.db2.gz ORPWOVPKNOERIK-NSHDSACASA-N 0 0 323.422 0.715 50 0 DCAARN Cc1cc(=O)cc(C(=O)N2CCCN(CC(=O)N(C)C)CC2)o1 ZINC000299773959 416066219 /nfs/dbraw/zinc/06/62/19/416066219.db2.gz GOWGMUADNAJGHM-UHFFFAOYSA-N 0 0 321.377 0.184 50 0 DCAARN C[C@@H]1CN(CC(=O)NCCSc2nccn2C)C[C@H](C)O1 ZINC000299784313 416066728 /nfs/dbraw/zinc/06/67/28/416066728.db2.gz GNUXFPBTNXXNHS-TXEJJXNPSA-N 0 0 312.439 0.738 50 0 DCAARN Cc1nn(C(C)C)c(C)c1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000299780611 416066733 /nfs/dbraw/zinc/06/67/33/416066733.db2.gz TZWXTPXKCXCYDD-UHFFFAOYSA-N 0 0 319.365 0.810 50 0 DCAARN O=C(CCCc1cn[nH]c1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299782517 416067311 /nfs/dbraw/zinc/06/73/11/416067311.db2.gz SWUQMXILFZEXIU-KBPBESRZSA-N 0 0 316.365 0.696 50 0 DCAARN Cc1nc2c(NC(=O)N[C@H](C)Cn3cncn3)cccn2n1 ZINC000299789481 416068637 /nfs/dbraw/zinc/06/86/37/416068637.db2.gz VRNQPIMOZJAPTH-SECBINFHSA-N 0 0 300.326 0.839 50 0 DCAARN Cc1nonc1N1CCN(c2cc([C@H]3CCOC3)ncn2)CC1 ZINC000299790643 416069491 /nfs/dbraw/zinc/06/94/91/416069491.db2.gz BWKFVMLUAMSBCJ-LBPRGKRZSA-N 0 0 316.365 0.999 50 0 DCAARN Cc1n[nH]c(CCC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)c1C ZINC000299787327 416070068 /nfs/dbraw/zinc/07/00/68/416070068.db2.gz UOVRJIGHQPQWRN-LLVKDONJSA-N 0 0 314.411 0.096 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CCc2c(c(CO)nn2C)C1 ZINC000299797823 416070646 /nfs/dbraw/zinc/07/06/46/416070646.db2.gz COEWMZOFFWOSQU-UHFFFAOYSA-N 0 0 304.350 0.645 50 0 DCAARN CNC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000170595707 416027667 /nfs/dbraw/zinc/02/76/67/416027667.db2.gz FIDXSMUQYQBGEA-SNVBAGLBSA-N 0 0 324.761 0.005 50 0 DCAARN COc1cccc(CNC(=O)N2CCC[C@@H](CC(N)=O)C2)n1 ZINC000175413236 416105875 /nfs/dbraw/zinc/10/58/75/416105875.db2.gz LQVBVQXKHJZQFK-NSHDSACASA-N 0 0 306.366 0.887 50 0 DCAARN CN(C[C@@H]1COc2ccccc2O1)c1cncc(C(N)=O)n1 ZINC000176746581 416132410 /nfs/dbraw/zinc/13/24/10/416132410.db2.gz HOMQFSCVBGDZNA-SNVBAGLBSA-N 0 0 300.318 0.852 50 0 DCAARN CN(C[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1cnn(C)c1 ZINC000177799034 416152529 /nfs/dbraw/zinc/15/25/29/416152529.db2.gz YPEMTTFQFFCBOZ-GFCCVEGCSA-N 0 0 314.345 0.513 50 0 DCAARN CN(Cc1nc2c(s1)CCCC2)C(=O)Cn1ncn(C)c1=O ZINC000182281358 416217640 /nfs/dbraw/zinc/21/76/40/416217640.db2.gz LMSWHJMDIHTSEP-UHFFFAOYSA-N 0 0 321.406 0.576 50 0 DCAARN CC(C)(CN1CCOCC1)C[NH+]1CCN(c2cnccn2)CC1 ZINC000215137284 416327079 /nfs/dbraw/zinc/32/70/79/416327079.db2.gz PVQAQDVTTPLVOT-UHFFFAOYSA-N 0 0 319.453 0.957 50 0 DCAARN Cn1c2c(cc(C(=O)N3CCS(=O)(=O)CC3)c1=O)CCCC2 ZINC000215669465 416327259 /nfs/dbraw/zinc/32/72/59/416327259.db2.gz BYTGCZIPPQMHMB-UHFFFAOYSA-N 0 0 324.402 0.135 50 0 DCAARN Cc1cn2cc(CNC(=O)c3cc(=O)[nH]c(=O)[nH]3)nc2s1 ZINC000216428609 416327387 /nfs/dbraw/zinc/32/73/87/416327387.db2.gz TUURGFCNSWFUHM-UHFFFAOYSA-N 0 0 305.319 0.011 50 0 DCAARN O=C(CCc1[nH]c(O)nc1O)NCc1nc2ccc(F)cc2[nH]1 ZINC000216066866 416327450 /nfs/dbraw/zinc/32/74/50/416327450.db2.gz IBWJAMNXVMMYIF-VIFPVBQESA-N 0 0 319.296 0.306 50 0 DCAARN CN(CCCS(=O)(=O)N(C)C)Cc1[nH]nc2c1CCC2 ZINC000240500002 416330159 /nfs/dbraw/zinc/33/01/59/416330159.db2.gz NQJZVLABHXUYNQ-UHFFFAOYSA-N 0 0 300.428 0.612 50 0 DCAARN Cn1cc(CN2CC[C@H](C(N)=O)C2)c(C(=O)OC(C)(C)C)n1 ZINC000585117832 416518145 /nfs/dbraw/zinc/51/81/45/416518145.db2.gz YZXSRJNEVKVPMD-JTQLQIEISA-N 0 0 308.382 0.683 50 0 DCAARN C[C@@H]1CN(C)C[C@@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)O1 ZINC000585122224 416518502 /nfs/dbraw/zinc/51/85/02/416518502.db2.gz RRLZRBYIGBNATI-SNPRPXQTSA-N 0 0 323.437 0.470 50 0 DCAARN COCc1nc(NCCn2ccnc2)cc([C@H]2CCOC2)n1 ZINC000426420312 416768787 /nfs/dbraw/zinc/76/87/87/416768787.db2.gz YPEMHIIYKBLQAD-LBPRGKRZSA-N 0 0 303.366 1.436 50 0 DCAARN CN(CCC(C)(C)O)c1cc([C@H]2CCOC2)nc(NCCO)n1 ZINC000426495589 416770302 /nfs/dbraw/zinc/77/03/02/416770302.db2.gz IZVBNFHGNDZJPN-LBPRGKRZSA-N 0 0 324.425 0.982 50 0 DCAARN Cc1cc(=O)cc(C(=O)N2CCC(c3nc(N)n[nH]3)CC2)o1 ZINC000426535457 416775759 /nfs/dbraw/zinc/77/57/59/416775759.db2.gz KQEJWFAOPRHMDO-UHFFFAOYSA-N 0 0 303.322 0.668 50 0 DCAARN CCc1ccc(CC(=O)N2CCC[C@@]2(COC)C(=O)NC)nc1 ZINC000616433137 417044599 /nfs/dbraw/zinc/04/45/99/417044599.db2.gz DYENIDIEIAMQSU-QGZVFWFLSA-N 0 0 319.405 0.940 50 0 DCAARN COc1nc(CNC(=O)Cc2ccc(F)cc2)nc(N(C)C)n1 ZINC000575604047 417538875 /nfs/dbraw/zinc/53/88/75/417538875.db2.gz PEFRJYKUDKITCK-UHFFFAOYSA-N 0 0 319.340 0.944 50 0 DCAARN Cc1cc(C)n(CCNC(=O)Cn2nc(C3CC3)ccc2=O)n1 ZINC000575621508 417540682 /nfs/dbraw/zinc/54/06/82/417540682.db2.gz XSKCVOAAGIUSQS-UHFFFAOYSA-N 0 0 315.377 0.750 50 0 DCAARN CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1cccc(C)c1 ZINC000657098427 417809269 /nfs/dbraw/zinc/80/92/69/417809269.db2.gz CELFIMHVCAZYLC-VXGBXAGGSA-N 0 0 319.404 0.085 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)COCCOc1ccccc1 ZINC000299744003 229382908 /nfs/dbraw/zinc/38/29/08/229382908.db2.gz NETJMWDGJDJDDZ-YPMHNXCESA-N 0 0 310.325 0.506 50 0 DCAARN NS(=O)(=O)C[C@H]1CCN(C(=O)CSc2ccncc2)C1 ZINC000299766712 229413119 /nfs/dbraw/zinc/41/31/19/229413119.db2.gz GVKJGBAMFLJXCA-JTQLQIEISA-N 0 0 315.420 0.311 50 0 DCAARN CCCN1N=C(C)Cn2c1nc1c2c(=O)n(CCC)c(=O)n1C ZINC000004316655 273614868 /nfs/dbraw/zinc/61/48/68/273614868.db2.gz BAUHWERQHAJUDL-UHFFFAOYSA-N 0 0 318.381 0.913 50 0 DCAARN CCn1c(=O)c2c(nc3n2CC(C(C)(C)C)=NN3C)n(C)c1=O ZINC000010329504 273778641 /nfs/dbraw/zinc/77/86/41/273778641.db2.gz GTMPFWHCVVWPOY-UHFFFAOYSA-N 0 0 318.381 0.769 50 0 DCAARN CC[C@@H](C(=O)[O-])[NH+]1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000191435034 276410492 /nfs/dbraw/zinc/41/04/92/276410492.db2.gz MRRUFYDZCDBJIY-LBPRGKRZSA-N 0 0 318.381 0.657 50 0 DCAARN CC(=O)N[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000040489384 278125624 /nfs/dbraw/zinc/12/56/24/278125624.db2.gz DMDYTMFVDYDKHD-CHWSQXEVSA-N 0 0 316.423 0.327 50 0 DCAARN C[C@@H]1Cn2c(nc3c2c(=O)[nH]c(=O)n3C)N(Cc2ccco2)C1 ZINC000004249321 279024349 /nfs/dbraw/zinc/02/43/49/279024349.db2.gz LXQLRVXVDQASAG-VIFPVBQESA-N 0 0 315.333 0.673 50 0 DCAARN CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-] ZINC000007996813 279187235 /nfs/dbraw/zinc/18/72/35/279187235.db2.gz VGGGPCQERPFHOB-IHRRRGAJSA-N 0 0 308.378 0.533 50 0 in-vitro DCAARN CCN[C@@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 ZINC000001530622 279508394 /nfs/dbraw/zinc/50/83/94/279508394.db2.gz IAVUPMFITXYVAF-POYBYMJQSA-N 0 0 324.449 0.612 50 0 DCAARN Cc1ccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c(C)c1 ZINC000008588392 280916559 /nfs/dbraw/zinc/91/65/59/280916559.db2.gz LPJDXGFDSQNNAF-UHFFFAOYSA-N 0 0 309.347 0.789 50 0 DCAARN CC1(C)NC(=O)N(CCN2C(=O)NC3(CCCC3)C2=O)C1=O ZINC000031437569 281393722 /nfs/dbraw/zinc/39/37/22/281393722.db2.gz LIONUDFNYHLGCN-UHFFFAOYSA-N 0 0 308.338 0.181 50 0 DCAARN C[C@H](C(=O)NC(N)=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000248580134 289340329 /nfs/dbraw/zinc/34/03/29/289340329.db2.gz IHPQWICKQDCEBF-OCCSQVGLSA-N 0 0 305.378 0.903 50 0 DCAARN Cc1nn(C)c2nc(N[C@H]3COC[C@@H]3N3CCOCC3)sc12 ZINC000096163749 293768737 /nfs/dbraw/zinc/76/87/37/293768737.db2.gz JMMCXFYCOAWGGW-QWRGUYRKSA-N 0 0 323.422 0.850 50 0 DCAARN COc1cccc([C@H]2[C@@H](NS(N)(=O)=O)CCN2C2CC2)c1 ZINC000179902142 295330847 /nfs/dbraw/zinc/33/08/47/295330847.db2.gz LQFMNAMRHRCFDC-KBPBESRZSA-N 0 0 311.407 0.766 50 0 DCAARN O=C(CNC(=O)c1cnccn1)Nc1nc2c(s1)CCC2 ZINC000072405125 295518480 /nfs/dbraw/zinc/51/84/80/295518480.db2.gz FZYRPNPESFUWKI-UHFFFAOYSA-N 0 0 303.347 0.790 50 0 DCAARN C[C@@H]1CNCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000054371502 297104036 /nfs/dbraw/zinc/10/40/36/297104036.db2.gz UHQDIQCXXXJYFH-SNVBAGLBSA-N 0 0 318.420 0.073 50 0 DCAARN Cn1ccnc1[C@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C1CC1 ZINC000067880362 303002696 /nfs/dbraw/zinc/00/26/96/303002696.db2.gz CRPNJVZDICUMTH-LLVKDONJSA-N 0 0 319.365 0.318 50 0 DCAARN NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccnc1 ZINC000071819489 303318125 /nfs/dbraw/zinc/31/81/25/303318125.db2.gz TWGOGNULVBGNJW-AWEZNQCLSA-N 0 0 317.370 0.683 50 0 DCAARN NS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000076082800 303436921 /nfs/dbraw/zinc/43/69/21/303436921.db2.gz VNRVETVBUQRRCA-BDAKNGLRSA-N 0 0 304.318 0.473 50 0 DCAARN O=C(NCCS(=O)(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000004940901 303778176 /nfs/dbraw/zinc/77/81/76/303778176.db2.gz MSLKKPWBIVHLOK-ZDUSSCGKSA-N 0 0 312.391 0.515 50 0 DCAARN CN(CC(=O)N[C@@H]1CC=CC[C@H]1C(N)=O)Cc1ccncc1 ZINC000534585521 334291720 /nfs/dbraw/zinc/29/17/20/334291720.db2.gz VNKHNDOCYNDDAM-ZIAGYGMSSA-N 0 0 302.378 0.450 50 0 DCAARN CCCn1ccnc1CNS(=O)(=O)N1CCC[C@@H]1COC ZINC000534636758 334309246 /nfs/dbraw/zinc/30/92/46/334309246.db2.gz VCIKOFXQHBQHES-GFCCVEGCSA-N 0 0 316.427 0.738 50 0 DCAARN Cc1cccc(=O)n1CCC(=O)N[C@@H]1CC=CC[C@H]1C(N)=O ZINC000534670149 334319980 /nfs/dbraw/zinc/31/99/80/334319980.db2.gz NFOMMBLYTYUKLC-CHWSQXEVSA-N 0 0 303.362 0.483 50 0 DCAARN Cc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCN(C)CC2)cn1 ZINC000534676255 334323559 /nfs/dbraw/zinc/32/35/59/334323559.db2.gz NFYDXPOWCYJVAI-GJZGRUSLSA-N 0 0 304.394 0.135 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 ZINC000029198740 518173120 /nfs/dbraw/zinc/17/31/20/518173120.db2.gz SCYBGRJCDVCAOM-SNVBAGLBSA-N 0 0 313.379 0.706 50 0 DCAARN Cc1ccc2nc(C(=O)N3CC[C@H](CS(N)(=O)=O)C3)cn2c1 ZINC000299802561 534489020 /nfs/dbraw/zinc/48/90/20/534489020.db2.gz ZKLXMVVOWZKGBX-NSHDSACASA-N 0 0 322.390 0.393 50 0 DCAARN CC(=O)N1CCC[C@@H]1C(=O)NC1CCN(c2ncccn2)CC1 ZINC000047118819 534765719 /nfs/dbraw/zinc/76/57/19/534765719.db2.gz XYQBPYFKYPBLQT-CQSZACIVSA-N 0 0 317.393 0.573 50 0 DCAARN Cn1ncc2c1nc(N1CCC(Cn3ccnn3)CC1)nc2N ZINC000275846286 534836581 /nfs/dbraw/zinc/83/65/81/534836581.db2.gz AHJCLGFEHXBJQK-UHFFFAOYSA-N 0 0 313.369 0.454 50 0 DCAARN Cc1ccc(-n2[n-]c(C(=O)N3CC[NH2+][C@@H](C)C3)cc2=O)cc1 ZINC000237531080 525890833 /nfs/dbraw/zinc/89/08/33/525890833.db2.gz BWHRSFVXYYIMCH-LBPRGKRZSA-N 0 0 300.362 0.908 50 0 DCAARN O=C([C@@H]1COCCN1)N1CCN(c2ccccc2Cl)CC1 ZINC000088357875 526493575 /nfs/dbraw/zinc/49/35/75/526493575.db2.gz APKGEYBXKSBFGD-ZDUSSCGKSA-N 0 0 309.797 0.977 50 0 DCAARN CC1(C)OCC(CO)(NC(=O)c2ccc(C(N)=O)cc2)CO1 ZINC000408515229 527795532 /nfs/dbraw/zinc/79/55/32/527795532.db2.gz KFTKWPUKLIUENR-UHFFFAOYSA-N 0 0 308.334 0.029 50 0 DCAARN NS(=O)(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000092977165 534972757 /nfs/dbraw/zinc/97/27/57/534972757.db2.gz FUXIDFBRDPIXAH-MRVPVSSYSA-N 0 0 311.285 0.757 50 0 DCAARN Cn1ncc2c1ncnc2NCc1ccc(S(N)(=O)=O)cc1 ZINC000012941874 545642113 /nfs/dbraw/zinc/64/21/13/545642113.db2.gz YXXSYOABBYCQIH-UHFFFAOYSA-N 0 0 318.362 0.623 50 0 DCAARN C[C@@H](Cn1cccn1)[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000069372468 545661246 /nfs/dbraw/zinc/66/12/46/545661246.db2.gz LCPGHQLVVCNMKK-ZDUSSCGKSA-N 0 0 302.382 0.688 50 0 DCAARN CCc1nnc([C@@H]2CN(CC(=O)Nc3cccnc3)CCO2)[nH]1 ZINC000083830094 545697673 /nfs/dbraw/zinc/69/76/73/545697673.db2.gz VIUXQTVHZOHEDJ-LBPRGKRZSA-N 0 0 316.365 0.774 50 0 DCAARN CC[C@@H]1CN(C(=O)COc2cc(C)on2)C[C@@H]1N1CCOCC1 ZINC000084735867 545703622 /nfs/dbraw/zinc/70/36/22/545703622.db2.gz KBBMECRWZCALCI-KGLIPLIRSA-N 0 0 323.393 0.931 50 0 DCAARN COC(=O)CS(=O)(=O)NC[C@@H]1CCCN1c1ccccc1 ZINC000207994205 545936994 /nfs/dbraw/zinc/93/69/94/545936994.db2.gz JWVLNGFPFAJUKS-ZDUSSCGKSA-N 0 0 312.391 0.748 50 0 DCAARN CSCC[C@H](O)C(=O)NCc1ccccc1-n1cncn1 ZINC000215829536 545939042 /nfs/dbraw/zinc/93/90/42/545939042.db2.gz HTUIDXFBVQFCRI-ZDUSSCGKSA-N 0 0 306.391 0.998 50 0 DCAARN O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1nnc[nH]1 ZINC000223965526 545942502 /nfs/dbraw/zinc/94/25/02/545942502.db2.gz VQFVPEDOUZIVIK-VXGBXAGGSA-N 0 0 303.322 0.304 50 0 DCAARN COCCN(C[C@H](O)C(F)(F)F)C(=O)Cc1c(C)n[nH]c1C ZINC000585091097 546303546 /nfs/dbraw/zinc/30/35/46/546303546.db2.gz XUAJDIZXLYPTTC-NSHDSACASA-N 0 0 323.315 0.967 50 0 DCAARN Cc1ccc(=O)n(CC(=O)NCc2nc3cc(F)ccc3[nH]2)n1 ZINC000670447687 547094706 /nfs/dbraw/zinc/09/47/06/547094706.db2.gz VQEZSZUWIZQJIS-UHFFFAOYSA-N 0 0 315.308 0.884 50 0 DCAARN O=S(=O)(CCOc1ccc(F)cc1)N1CC[C@@H](CO)C1 ZINC000670455641 547098168 /nfs/dbraw/zinc/09/81/68/547098168.db2.gz JBXYZNRUVPDMBK-LLVKDONJSA-N 0 0 303.355 0.849 50 0 DCAARN CCc1nc(S(=O)(=O)N(C)C[C@@H]2CC(=O)N(CC)C2)c[nH]1 ZINC000670461424 547098805 /nfs/dbraw/zinc/09/88/05/547098805.db2.gz CGSMNLDFZCLFRV-JTQLQIEISA-N 0 0 314.411 0.461 50 0 DCAARN O=C(c1cncc(N2CCO[C@@H](C3CC3)C2)n1)N1CCOCC1 ZINC000670460781 547099008 /nfs/dbraw/zinc/09/90/08/547099008.db2.gz AAGAEFJWDFNUQP-CQSZACIVSA-N 0 0 318.377 0.564 50 0 DCAARN Cc1n[nH]c(C)c1CCNC(=O)c1cccc(-n2cnnc2)n1 ZINC000670471436 547100901 /nfs/dbraw/zinc/10/09/01/547100901.db2.gz XUEPHQDOVJZICD-UHFFFAOYSA-N 0 0 311.349 0.975 50 0 DCAARN C[C@@H]1CN(c2nnnn2C[C@@H]2CSCCS2)CCO1 ZINC000685945104 548749206 /nfs/dbraw/zinc/74/92/06/548749206.db2.gz UZOSECBSCPTMPV-NXEZZACHSA-N 0 0 301.441 0.747 50 0 DCAARN O=C(CN1CCCCCCC1=O)OC[C@H]1CCCS1(=O)=O ZINC000685940628 548746961 /nfs/dbraw/zinc/74/69/61/548746961.db2.gz QESYHTJZIDTFSU-GFCCVEGCSA-N 0 0 317.407 0.900 50 0 DCAARN CN(C)c1ccc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)nc1 ZINC000685943005 548747779 /nfs/dbraw/zinc/74/77/79/548747779.db2.gz ZOZQEFNTIGVPPU-ZIAGYGMSSA-N 0 0 305.378 0.807 50 0 DCAARN CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2cnnn2C)cn1 ZINC000685942419 548747983 /nfs/dbraw/zinc/74/79/83/548747983.db2.gz PVMMMBGJTOUJOC-WCQYABFASA-N 0 0 304.354 0.761 50 0 DCAARN CCN1CCN(C(=O)c2ccc(NC)nc2)C[C@@H]1c1ncc[nH]1 ZINC000328586972 563959938 /nfs/dbraw/zinc/95/99/38/563959938.db2.gz UWTIIWAMNLMPAM-CYBMUJFWSA-N 0 0 314.393 1.365 50 0 DCAARN C[C@@H](NC(=O)[C@@H]1CCCC(=O)N1)c1ccc(-c2nn[nH]n2)cc1 ZINC000888093780 661157614 /nfs/dbraw/zinc/15/76/14/661157614.db2.gz QDUUXUUMYIHKRN-SKDRFNHKSA-N 0 0 314.349 0.713 50 0 DCAARN CCOC[C@@H]1CN(C(=O)Nc2ccncc2N(C)C)CCO1 ZINC000888100295 661178711 /nfs/dbraw/zinc/17/87/11/661178711.db2.gz MFVCAICZPWRRKG-LBPRGKRZSA-N 0 0 308.382 0.839 50 0 DCAARN CCC(C)(C)C(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O ZINC000169748728 664558947 /nfs/dbraw/zinc/55/89/47/664558947.db2.gz NXLMRGXHCHWEDR-UHFFFAOYSA-N 0 0 316.423 0.628 50 0 DCAARN CNC(=O)[C@@H](C)CN(C)C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000154993287 665218117 /nfs/dbraw/zinc/21/81/17/665218117.db2.gz DCUOAEGTUGZRHV-JTQLQIEISA-N 0 0 301.350 0.926 50 0 DCAARN COC(OC)C(=O)N1CCN(C(=O)[C@@H](C)CSC)CC1 ZINC000863947859 667197153 /nfs/dbraw/zinc/19/71/53/667197153.db2.gz LDHQOQXLSDFCCJ-JTQLQIEISA-N 0 0 304.412 0.275 50 0 DCAARN Cc1cc(C(=O)N2CCN(C)C(=O)[C@@H]2C)c2cnn(C)c2n1 ZINC000188566030 670026034 /nfs/dbraw/zinc/02/60/34/670026034.db2.gz LCUKCSCJHGPXFQ-JTQLQIEISA-N 0 0 301.350 0.579 50 0 DCAARN CCO[C@H](CS(=O)(=O)N1CC[C@H](c2nnc[nH]2)C1)C1CC1 ZINC000859199814 671081964 /nfs/dbraw/zinc/08/19/64/671081964.db2.gz SMEPGSNFZWFHGI-NWDGAFQWSA-N 0 0 314.411 0.739 50 0 DCAARN CCCn1cc(S(=O)(=O)N2CCCC[C@H]2C(=O)NC)cn1 ZINC000952983098 685601759 /nfs/dbraw/zinc/60/17/59/685601759.db2.gz NXPYQIAWVKBJGI-LBPRGKRZSA-N 0 0 314.411 0.582 50 0 DCAARN CS(=O)(=O)CC1(C(=O)NC[C@@H](O)C2CCCCC2)COC1 ZINC000952994408 685603442 /nfs/dbraw/zinc/60/34/42/685603442.db2.gz OYSDMHGFEOGQRX-GFCCVEGCSA-N 0 0 319.423 0.105 50 0 DCAARN O=C1NC[C@H](O)CC12CN(c1ccc(C(F)(F)F)cn1)C2 ZINC000952992651 685603739 /nfs/dbraw/zinc/60/37/39/685603739.db2.gz AVYOBLHTPJXNHW-SECBINFHSA-N 0 0 301.268 0.788 50 0 DCAARN Cc1nnnn1CCC(=O)Nc1ccc2[nH]c([C@@H](C)O)nc2c1 ZINC000952988707 685602918 /nfs/dbraw/zinc/60/29/18/685602918.db2.gz RSDPCLBAENAQCT-MRVPVSSYSA-N 0 0 315.337 0.940 50 0 DCAARN O=C1[C@H]2CCCN2C(=O)[C@H]2CN(Cc3ccccc3F)CCN12 ZINC000014743022 685048356 /nfs/dbraw/zinc/04/83/56/685048356.db2.gz VNFCZPIQZPEQEN-HUUCEWRRSA-N 0 0 317.364 0.843 50 0 DCAARN O=C(CCCN1CCCCC1=O)N1CCC([C@H](O)CO)CC1 ZINC001772707692 1157845898 /nfs/dbraw/zinc/84/58/98/1157845898.db2.gz UFSYOKHWANOMCL-CQSZACIVSA-N 0 0 312.410 0.371 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)CN2Cc3ccccc3C2)cn1 ZINC000107306578 1176184512 /nfs/dbraw/zinc/18/45/12/1176184512.db2.gz ANDZUXGABPBWMH-UHFFFAOYSA-N 0 0 313.361 0.583 50 0 DCAARN COCCc1noc(CN2C[C@@H](Cc3ccccn3)[C@H](O)C2)n1 ZINC001704297648 1179964349 /nfs/dbraw/zinc/96/43/49/1179964349.db2.gz CJKMTTMAGCDWFB-TZMCWYRMSA-N 0 0 318.377 0.689 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)Cc3nonc3C)C[C@@H]2O)on1 ZINC001704297848 1179965394 /nfs/dbraw/zinc/96/53/94/1179965394.db2.gz DKJUIIZITDFVKH-MFKMUULPSA-N 0 0 306.322 0.279 50 0 DCAARN CN1C[C@@H]2COC[C@H](C1)N(S(=O)(=O)c1cccs1)C2 ZINC001704303851 1179966498 /nfs/dbraw/zinc/96/64/98/1179966498.db2.gz KBAQMJMBIFYONE-QWRGUYRKSA-N 0 0 302.421 0.699 50 0 DCAARN Cc1cnc(N2C[C@@H]3COC[C@H](C2)N(C)C3=O)nc1N(C)C ZINC001704328179 1179973986 /nfs/dbraw/zinc/97/39/86/1179973986.db2.gz YNZBTMIIZWEQMH-NEPJUHHUSA-N 0 0 305.382 0.144 50 0 DCAARN Cc1cc(C[C@@H]2CN(c3nc(N)nc4nc[nH]c43)C[C@H]2O)on1 ZINC001704333695 1179976237 /nfs/dbraw/zinc/97/62/37/1179976237.db2.gz DSGNHLNUTYFXBO-PSASIEDQSA-N 0 0 315.337 0.271 50 0 DCAARN Cc1cc(C[C@@H]2CN(c3ncccc3C(N)=O)C[C@@H]2O)on1 ZINC001704342221 1179979273 /nfs/dbraw/zinc/97/92/73/1179979273.db2.gz KTNGLFQIVLWHKU-MFKMUULPSA-N 0 0 302.334 0.517 50 0 DCAARN C[C@]1(O)CCOC2(CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC001704342851 1179980739 /nfs/dbraw/zinc/98/07/39/1179980739.db2.gz RFHDPSCLZXTZRH-INIZCTEOSA-N 0 0 324.421 0.922 50 0 DCAARN Cc1cc(CC(=O)N2C[C@@H](Cc3cc(C)no3)[C@H](O)C2)on1 ZINC001704356637 1179984393 /nfs/dbraw/zinc/98/43/93/1179984393.db2.gz IDGWKVYABAVEDB-BXUZGUMPSA-N 0 0 305.334 0.884 50 0 DCAARN COC(=O)C[C@H]1C(=O)N[C@H](C)C(=O)N1Cc1ccc(C)c(F)c1 ZINC000221034662 1180398715 /nfs/dbraw/zinc/39/87/15/1180398715.db2.gz LOZHIVYYNSGJFX-MFKMUULPSA-N 0 0 322.336 0.913 50 0 DCAARN Cc1nc(C(=O)N2Cc3c(C(=O)NC4CC4)nn(C)c3C2)co1 ZINC000675008727 748024899 /nfs/dbraw/zinc/02/48/99/748024899.db2.gz KVXYDFMIHTXOFP-UHFFFAOYSA-N 0 0 315.333 0.765 50 0 DCAARN Cn1nc(C(=O)NC2CC2)c2c1CN(C(=O)c1ccncn1)C2 ZINC000675008497 748025050 /nfs/dbraw/zinc/02/50/50/748025050.db2.gz CCOWUIIYTDPJTH-UHFFFAOYSA-N 0 0 312.333 0.258 50 0 DCAARN CC(C)Cc1nnc(C[C@H]2CCN(S(=O)(=O)N(C)C)C2)o1 ZINC000675017909 748026722 /nfs/dbraw/zinc/02/67/22/748026722.db2.gz JBTDJUQLKXYFFQ-LLVKDONJSA-N 0 0 316.427 0.939 50 0 DCAARN O=S(=O)(c1ccccc1F)N1CC(n2cc(CO)nn2)C1 ZINC000675018116 748026981 /nfs/dbraw/zinc/02/69/81/748026981.db2.gz MDSQWBBZNUDRKG-UHFFFAOYSA-N 0 0 312.326 0.155 50 0 DCAARN COc1ccc(C(=O)N2CC(=O)N3C[C@@H](OC)C[C@H]3C2)cc1F ZINC000675016185 748026995 /nfs/dbraw/zinc/02/69/95/748026995.db2.gz AMHOIMBCKSMVJE-RYUDHWBXSA-N 0 0 322.336 0.906 50 0 DCAARN O=C(CCNC(=O)CN1C(=O)CCc2ccccc21)NC1CC1 ZINC000675028680 748028867 /nfs/dbraw/zinc/02/88/67/748028867.db2.gz ZXLLEZLRGIWZCW-UHFFFAOYSA-N 0 0 315.373 0.751 50 0 DCAARN CCCn1cc(S(=O)(=O)NCc2csc(N)n2)cn1 ZINC000823032923 758218283 /nfs/dbraw/zinc/21/82/83/758218283.db2.gz FPQDEOCASLPMMD-UHFFFAOYSA-N 0 0 301.397 0.810 50 0 DCAARN CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(OC)c2)C1 ZINC000823123301 758226783 /nfs/dbraw/zinc/22/67/83/758226783.db2.gz AADKNVJHDFNZCP-LLVKDONJSA-N 0 0 312.391 0.842 50 0 DCAARN Cc1nc([C@H](C)NS(=O)(=O)N2CCN(C)CC2)cs1 ZINC000823791249 758276079 /nfs/dbraw/zinc/27/60/79/758276079.db2.gz KSRCOULDHNMXBP-VIFPVBQESA-N 0 0 304.441 0.594 50 0 DCAARN Cc1csc([C@H](C)NS(=O)(=O)N2CCN(C)CC2)n1 ZINC000823791193 758276109 /nfs/dbraw/zinc/27/61/09/758276109.db2.gz CCMTZJGWSPTDRR-JTQLQIEISA-N 0 0 304.441 0.594 50 0 DCAARN COCCN1C[C@H](C(=O)NCCCc2c(C)n[nH]c2C)CC1=O ZINC000824412302 758773509 /nfs/dbraw/zinc/77/35/09/758773509.db2.gz BUXJRIMKDYOHJB-CYBMUJFWSA-N 0 0 322.409 0.570 50 0 DCAARN COc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](O)[C@@H](OC)C1 ZINC000824504870 758777800 /nfs/dbraw/zinc/77/78/00/758777800.db2.gz QFUICTLLRDMPTN-ONGXEEELSA-N 0 0 321.782 0.729 50 0 DCAARN Cc1n[nH]c(C)c1Cc1nc(CC(N)=O)nn1CC(C)(C)O ZINC000826842158 758845098 /nfs/dbraw/zinc/84/50/98/758845098.db2.gz MNZYQXZFIVXMOM-UHFFFAOYSA-N 0 0 306.370 0.008 50 0 DCAARN NC(=O)Cc1nc([C@H]2CCC(=O)N2)n(-c2ccccc2Cl)n1 ZINC000826842297 758845660 /nfs/dbraw/zinc/84/56/60/758845660.db2.gz PNELJPKJTOLHLL-SECBINFHSA-N 0 0 319.752 0.900 50 0 DCAARN C[C@@]1(CNS(=O)(=O)c2cc(C(N)=O)cs2)CCCO1 ZINC000826848990 758845778 /nfs/dbraw/zinc/84/57/78/758845778.db2.gz MQQKFHFEWXKSFB-NSHDSACASA-N 0 0 304.393 0.694 50 0 DCAARN C[C@H](Cn1cncn1)C(=O)N1CCC(Oc2ncccn2)CC1 ZINC000827628022 758872239 /nfs/dbraw/zinc/87/22/39/758872239.db2.gz KNINJKZTWSVOHJ-GFCCVEGCSA-N 0 0 316.365 0.774 50 0 DCAARN Cc1n[nH]c(CCC(=O)NCCSc2nncn2C)c1C ZINC000827822496 758888210 /nfs/dbraw/zinc/88/82/10/758888210.db2.gz ZKHMSBUOCLSEKF-UHFFFAOYSA-N 0 0 308.411 0.996 50 0 DCAARN O=C(CCCN1CCCC1=O)NC[C@H](O)c1cccc(O)c1 ZINC000828019331 758911472 /nfs/dbraw/zinc/91/14/72/758911472.db2.gz OQHIJUVYCYQUMO-AWEZNQCLSA-N 0 0 306.362 0.944 50 0 DCAARN O=S(=O)(NCCc1nc(-c2ccccn2)no1)N1CCCC1 ZINC000828388384 759001381 /nfs/dbraw/zinc/00/13/81/759001381.db2.gz AQSSOPJZPADIDQ-UHFFFAOYSA-N 0 0 323.378 0.604 50 0 DCAARN COCC(=O)N1CCNC(=O)[C@@H]1c1c(C)nc2ccccn21 ZINC000584908879 766238011 /nfs/dbraw/zinc/23/80/11/766238011.db2.gz PJFGXWFUEYZRLF-AWEZNQCLSA-N 0 0 302.334 0.289 50 0 DCAARN C=CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000585086816 766272316 /nfs/dbraw/zinc/27/23/16/766272316.db2.gz SZZBRGCKSHMVSL-UHFFFAOYSA-N 0 0 310.375 0.510 50 0 DCAARN C[C@@H](C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1)C(C)(C)C ZINC000585087744 766275580 /nfs/dbraw/zinc/27/55/80/766275580.db2.gz MNVREOUICSRUCD-JTQLQIEISA-N 0 0 324.468 0.938 50 0 DCAARN C[C@H](O)[C@](C)(O)C(=O)NCc1nccn1CCc1ccccc1 ZINC000585121238 766286679 /nfs/dbraw/zinc/28/66/79/766286679.db2.gz JGGPPESOONTGNW-GUYCJALGSA-N 0 0 317.389 0.874 50 0 DCAARN COC(=O)[C@H](Cc1ccccc1O)NC(=O)c1ccn(C)n1 ZINC000585128174 766290508 /nfs/dbraw/zinc/29/05/08/766290508.db2.gz UTHSOUPSJBJXBD-LBPRGKRZSA-N 0 0 303.318 0.640 50 0 DCAARN CC(C)C1=NO[C@H](C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)C1 ZINC000952871745 768933196 /nfs/dbraw/zinc/93/31/96/768933196.db2.gz DBEJSWHYBRVMMQ-ZDUSSCGKSA-N 0 0 323.393 0.637 50 0 DCAARN CC1(C(=O)NC[C@H]2CCCN(S(N)(=O)=O)C2)CCCC1 ZINC000952873105 768936162 /nfs/dbraw/zinc/93/61/62/768936162.db2.gz GOPHAFYTYKXADQ-LLVKDONJSA-N 0 0 303.428 0.598 50 0 DCAARN CCOC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CN(C)CCO2)[C@@H]1C ZINC000952876934 768941272 /nfs/dbraw/zinc/94/12/72/768941272.db2.gz ISJXUJXCZVLHCZ-DGAVXFQQSA-N 0 0 312.410 0.896 50 0 DCAARN Cc1cc(=O)[nH]c(N2CC[C@@H](NC(=O)N3CCSCC3)C2)n1 ZINC000952880388 768945817 /nfs/dbraw/zinc/94/58/17/768945817.db2.gz JZXDVMUPXBROKB-LLVKDONJSA-N 0 0 323.422 0.828 50 0 DCAARN CCCCOC(=O)CN1CCO[C@H](CN2CCOCC2)C1 ZINC000952882709 768950199 /nfs/dbraw/zinc/95/01/99/768950199.db2.gz IPPSIKOIGLXJBQ-CQSZACIVSA-N 0 0 300.399 0.363 50 0 DCAARN CN(CCCOc1ccc(F)cc1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001529104270 1014496657 /nfs/dbraw/zinc/49/66/57/1014496657.db2.gz NCCBZKQHBGYHBI-ZIAGYGMSSA-N 0 0 317.382 0.684 50 0 DCAARN Cc1cccc(NC(=O)CC(=O)N2C[C@H](CO)C[C@H](CO)C2)c1 ZINC001506395405 1017252860 /nfs/dbraw/zinc/25/28/60/1017252860.db2.gz HURAHBLXCRZWLQ-OKILXGFUSA-N 0 0 320.389 0.773 50 0 DCAARN CCc1ccccc1OC1CN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001506395877 1017252926 /nfs/dbraw/zinc/25/29/26/1017252926.db2.gz BFZPSRBXNWOVIR-UHFFFAOYSA-N 0 0 317.345 0.390 50 0 DCAARN C[C@]1(NC(=O)/C=C/c2cc(CO)cs2)CCS(=O)(=O)C1 ZINC001506398792 1017253413 /nfs/dbraw/zinc/25/34/13/1017253413.db2.gz GELGUKRBNDLFLY-IBUXWKBASA-N 0 0 315.416 0.947 50 0 DCAARN C[C@@H]1CN(C(=O)CN2CCC(c3nncn3C)CC2)C[C@H](C)O1 ZINC001506415562 1017264163 /nfs/dbraw/zinc/26/41/63/1017264163.db2.gz DSHROYGDQBQUSL-BETUJISGSA-N 0 0 321.425 0.630 50 0 DCAARN Cc1nnc(SCC(=O)N2CCN(c3cnccn3)CC2)o1 ZINC001506419248 1017266560 /nfs/dbraw/zinc/26/65/60/1017266560.db2.gz MRXYMXUCLBRDSL-UHFFFAOYSA-N 0 0 320.378 0.609 50 0 DCAARN O=C([O-])c1nccnc1N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC001506429630 1017272601 /nfs/dbraw/zinc/27/26/01/1017272601.db2.gz SKOYBVQYFDSSJZ-UHFFFAOYSA-N 0 0 306.366 0.602 50 0 DCAARN COCC(=O)N1CCC[C@@H](C(=O)N2CC(c3cccnc3)C2)C1 ZINC000095499940 185374808 /nfs/dbraw/zinc/37/48/08/185374808.db2.gz VRKHVFNZKMGHIE-CQSZACIVSA-N 0 0 317.389 0.892 50 0 DCAARN CC(C)Cc1cc(CNC(=O)c2cc(=O)n(C)c(=O)n2C)on1 ZINC000095509249 185375727 /nfs/dbraw/zinc/37/57/27/185375727.db2.gz HQSDVWPBCQEGGC-UHFFFAOYSA-N 0 0 320.349 0.201 50 0 DCAARN COc1cccn(CC(=O)N(C)CCn2nc(C)cc2C)c1=O ZINC000095519255 185377073 /nfs/dbraw/zinc/37/70/73/185377073.db2.gz OMGKNIPXZOTZOW-UHFFFAOYSA-N 0 0 318.377 0.829 50 0 DCAARN O=C(NCc1c[nH]c(=O)[nH]c1=O)[C@@H]1CCOc2ccccc2C1 ZINC000095510305 185376225 /nfs/dbraw/zinc/37/62/25/185376225.db2.gz IBYXWJQJQMZTRF-LLVKDONJSA-N 0 0 315.329 0.321 50 0 DCAARN COC(=O)[C@H](C)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000078970577 185137161 /nfs/dbraw/zinc/13/71/61/185137161.db2.gz VKRKFZXFZMVPBP-JTQLQIEISA-N 0 0 302.325 0.957 50 0 DCAARN COCC(=O)NCCNc1cc(-n2cnc(C)c2C)ncn1 ZINC000082230596 185174316 /nfs/dbraw/zinc/17/43/16/185174316.db2.gz VRTGKIOHACADQW-UHFFFAOYSA-N 0 0 304.354 0.454 50 0 DCAARN COC(=O)[C@]1(NC(=O)c2nc(C)n3c2CCCC3)CCOC1 ZINC000088328340 185245962 /nfs/dbraw/zinc/24/59/62/185245962.db2.gz LQEBKBWGOLWDDA-HNNXBMFYSA-N 0 0 307.350 0.590 50 0 DCAARN CN(C)c1ccc([C@H](O)CNC(=O)C(=O)NC2CCCC2)cc1 ZINC000090611895 185306628 /nfs/dbraw/zinc/30/66/28/185306628.db2.gz AZZAWLYWXJZNPY-OAHLLOKOSA-N 0 0 319.405 0.961 50 0 DCAARN NC(=O)CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O ZINC000090610095 185306717 /nfs/dbraw/zinc/30/67/17/185306717.db2.gz FBOXWOQLDFCTOH-UHFFFAOYSA-N 0 0 315.354 0.929 50 0 DCAARN CCOCCC(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2 ZINC000082109137 192358428 /nfs/dbraw/zinc/35/84/28/192358428.db2.gz VJUXLKSWVMTSQB-UHFFFAOYSA-N 0 0 323.397 0.423 50 0 DCAARN Cc1cn2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)ccc2n1 ZINC000082125301 192359864 /nfs/dbraw/zinc/35/98/64/192359864.db2.gz KJCBBGJVEIDOIQ-UHFFFAOYSA-N 0 0 322.390 0.360 50 0 DCAARN COCCOCC(=O)N1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000082137529 192360400 /nfs/dbraw/zinc/36/04/00/192360400.db2.gz KDIUSCOTNMCBFT-UHFFFAOYSA-N 0 0 306.362 0.833 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)NCCSCc1ccccc1 ZINC000008369163 190631625 /nfs/dbraw/zinc/63/16/25/190631625.db2.gz UKRYYTJIIWHXBQ-UHFFFAOYSA-N 0 0 319.386 0.586 50 0 DCAARN CS(=O)(=O)Nc1ccc(OCCNC(=O)N2CCC2)cc1 ZINC000225460825 201713358 /nfs/dbraw/zinc/71/33/58/201713358.db2.gz QISVLNWRKXXORD-UHFFFAOYSA-N 0 0 313.379 0.852 50 0 DCAARN COC(=O)c1ccc(CN2CCN(c3ccc(=O)[nH]n3)CC2)o1 ZINC000095395095 185352576 /nfs/dbraw/zinc/35/25/76/185352576.db2.gz JNVXBEZINKDAIX-UHFFFAOYSA-N 0 0 318.333 0.884 50 0 DCAARN O=C(CCC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)c1cccs1 ZINC000095407664 185356387 /nfs/dbraw/zinc/35/63/87/185356387.db2.gz FHEMOUJZZFZAFV-VIFPVBQESA-N 0 0 321.358 0.474 50 0 DCAARN C[C@@H](CCn1cncn1)NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000095408083 185356577 /nfs/dbraw/zinc/35/65/77/185356577.db2.gz BOYJTNNNLLPPRL-JSGCOSHPSA-N 0 0 319.409 0.822 50 0 DCAARN CN1CCN(Cc2nnc(S(C)(=O)=O)s2)C(C)(C)C1 ZINC000328591178 529775385 /nfs/dbraw/zinc/77/53/85/529775385.db2.gz WCTUYBIHQGQXBO-UHFFFAOYSA-N 0 0 304.441 0.468 50 0 DCAARN COc1ccc(NC(=O)NCCS(N)(=O)=O)c(Cl)c1 ZINC000095454953 185369763 /nfs/dbraw/zinc/36/97/63/185369763.db2.gz AGZDVBZLVNVTOH-UHFFFAOYSA-N 0 0 307.759 0.759 50 0 DCAARN CN(CC(=O)NC1CC1)S(=O)(=O)c1c[nH]nc1C(C)(C)C ZINC000095460237 185370578 /nfs/dbraw/zinc/37/05/78/185370578.db2.gz KYYBOXBEKONBNT-UHFFFAOYSA-N 0 0 314.411 0.606 50 0 DCAARN CNC(=O)CNC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000095469719 185372253 /nfs/dbraw/zinc/37/22/53/185372253.db2.gz LWHHANRHMILIED-AWEZNQCLSA-N 0 0 305.359 0.478 50 0 DCAARN Cc1nc2cc(F)ccc2cc1C(=O)NN1CC(=O)NC1=O ZINC000097042216 185401934 /nfs/dbraw/zinc/40/19/34/185401934.db2.gz BIMAQAHUIPLJSM-UHFFFAOYSA-N 0 0 302.265 0.879 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(Cn2cc(CCO)cn2)cc1 ZINC000097115062 185412712 /nfs/dbraw/zinc/41/27/12/185412712.db2.gz JZVDHOAMXGIAAI-UHFFFAOYSA-N 0 0 309.391 0.717 50 0 DCAARN CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)c1ccon1)C2 ZINC000299780235 282315076 /nfs/dbraw/zinc/31/50/76/282315076.db2.gz BUDXIGFSIDSHMR-UHFFFAOYSA-N 0 0 316.365 0.795 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)NC(C)(C)CCO)C1 ZINC000330729346 232025687 /nfs/dbraw/zinc/02/56/87/232025687.db2.gz HJDPDNZRZOURIQ-LLVKDONJSA-N 0 0 306.428 0.325 50 0 DCAARN COc1ncccc1OCC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000330926654 232167930 /nfs/dbraw/zinc/16/79/30/232167930.db2.gz XFJXNYQCRGUYGT-GFCCVEGCSA-N 0 0 307.350 0.596 50 0 DCAARN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)C(=O)OC)c1 ZINC000181935472 199365019 /nfs/dbraw/zinc/36/50/19/199365019.db2.gz XDGJPDBQEGYWDU-UWVGGRQHSA-N 0 0 300.380 0.807 50 0 DCAARN CCS(=O)(=O)CCn1ccc(NC(=O)c2cccnc2)n1 ZINC000121468651 185804616 /nfs/dbraw/zinc/80/46/16/185804616.db2.gz JVYLQYIMLDMUIQ-UHFFFAOYSA-N 0 0 308.363 0.965 50 0 DCAARN C[NH+](C)[C@H](CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1 ZINC000080402610 192156164 /nfs/dbraw/zinc/15/61/64/192156164.db2.gz PNYJLLPSXHYIGC-LLVKDONJSA-N 0 0 317.349 0.094 50 0 DCAARN COc1cc2c(cc1OC)n(CC(N)=O)c(=O)n(C(C)C)c2=O ZINC000071279571 190951720 /nfs/dbraw/zinc/95/17/20/190951720.db2.gz DACJWFSECOYTPN-UHFFFAOYSA-N 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COC(=O)[C@@H]1CC12CCN(C(=O)[C@]1(C)CCC(=O)NC1)CC2 ZINC000253395513 186305242 /nfs/dbraw/zinc/30/52/42/186305242.db2.gz VWNFXHXBXOZECC-XHDPSFHLSA-N 0 0 308.378 0.704 50 0 DCAARN CCN(Cc1ccccc1)C(=O)CNC(=O)[C@@H](C)CC(N)=O ZINC000253405783 186307603 /nfs/dbraw/zinc/30/76/03/186307603.db2.gz QLRQIBOQSQVGFQ-LBPRGKRZSA-N 0 0 305.378 0.663 50 0 DCAARN O=C(CCN1CCOCC1)Nc1ccc(Cn2cncn2)cc1 ZINC000072403192 191150441 /nfs/dbraw/zinc/15/04/41/191150441.db2.gz VNNZEZYLSRNSCH-UHFFFAOYSA-N 0 0 315.377 0.987 50 0 DCAARN NC(=O)CN1c2ccccc2[C@@](O)(CC(=O)c2ccccc2)C1=O ZINC000000089290 180689018 /nfs/dbraw/zinc/68/90/18/180689018.db2.gz WVPHFLSDQXLLGS-SFHVURJKSA-N 0 0 324.336 0.979 50 0 DCAARN CN1CCN(c2cncc(C(=O)N3CCCC3)n2)C[C@@H]1CCO ZINC000072435769 191165782 /nfs/dbraw/zinc/16/57/82/191165782.db2.gz COPKZMDXWPDYSL-ZDUSSCGKSA-N 0 0 319.409 0.215 50 0 DCAARN Nc1n[nH]c(CCC(=O)N2CCC(C(=O)N3CCCC3)CC2)n1 ZINC000072448518 191170543 /nfs/dbraw/zinc/17/05/43/191170543.db2.gz VACFXYPFSQRTDO-UHFFFAOYSA-N 0 0 320.397 0.181 50 0 DCAARN CC[C@@]1(O)CCN(C(=O)c2cn(-c3ccccc3)nn2)C[C@H]1O ZINC000072463241 191174031 /nfs/dbraw/zinc/17/40/31/191174031.db2.gz BJRXKLVFJTZBLP-GDBMZVCRSA-N 0 0 316.361 0.615 50 0 DCAARN COC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1N ZINC000000523165 180812326 /nfs/dbraw/zinc/81/23/26/180812326.db2.gz NRPXYHLWOXLEKD-UHFFFAOYSA-N 0 0 324.362 0.941 50 0 DCAARN CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(C)cc1 ZINC000001391718 180859505 /nfs/dbraw/zinc/85/95/05/180859505.db2.gz UDUGABBPQCHNJG-ZDUSSCGKSA-N 0 0 304.346 0.889 50 0 DCAARN Cc1c(C(N)=O)sc2ncn(CC(=O)N3CCCC3)c(=O)c12 ZINC000001789854 180896704 /nfs/dbraw/zinc/89/67/04/180896704.db2.gz ACUAPJZISLDOQO-UHFFFAOYSA-N 0 0 320.374 0.488 50 0 DCAARN CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOCC ZINC000002458418 180924856 /nfs/dbraw/zinc/92/48/56/180924856.db2.gz CXILQKKJFZLHCQ-UHFFFAOYSA-N 0 0 312.395 0.962 50 0 DCAARN OC[C@@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@@H](O)[C@H](O)[C@H]1O ZINC000002539686 180933263 /nfs/dbraw/zinc/93/32/63/180933263.db2.gz 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/nfs/dbraw/zinc/09/81/16/181098116.db2.gz DSQJRZLNOKFAHX-UHFFFAOYSA-N 0 0 309.753 0.969 50 0 DCAARN Cc1cccc(NC(=O)CSc2nnc(C)c(=O)n2N)c1 ZINC000004337898 181100351 /nfs/dbraw/zinc/10/03/51/181100351.db2.gz UMKYWUYFPADIHL-UHFFFAOYSA-N 0 0 305.363 0.700 50 0 DCAARN CCn1c(C)cn2c1nc1c2c(=O)n(CC(C)=O)c(=O)n1C ZINC000004314179 181096384 /nfs/dbraw/zinc/09/63/84/181096384.db2.gz WOPBHJSTSIEBCY-UHFFFAOYSA-N 0 0 303.322 0.067 50 0 DCAARN CC(=O)N1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000004573484 181125966 /nfs/dbraw/zinc/12/59/66/181125966.db2.gz IIBPJVRTKCXANH-UHFFFAOYSA-N 0 0 310.375 0.617 50 0 DCAARN O=C1Cc2cc(S(=O)(=O)N3CCOCC3)cc3c2N1CCC3 ZINC000004570075 181126073 /nfs/dbraw/zinc/12/60/73/181126073.db2.gz CENJUFZOMIJZLM-UHFFFAOYSA-N 0 0 322.386 0.543 50 0 DCAARN COc1cc(F)c(S(=O)(=O)N2CCOCC2)cc1OC ZINC000004751803 181148145 /nfs/dbraw/zinc/14/81/45/181148145.db2.gz ZPCVOHKSWDFQGG-UHFFFAOYSA-N 0 0 305.327 0.864 50 0 DCAARN CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000004840469 181160558 /nfs/dbraw/zinc/16/05/58/181160558.db2.gz OXTFPCHGWNZKBX-ZDUSSCGKSA-N 0 0 305.334 0.879 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCCO2 ZINC000058263375 295894900 /nfs/dbraw/zinc/89/49/00/295894900.db2.gz JPOQABSKFOFKHR-NSHDSACASA-N 0 0 311.359 0.765 50 0 DCAARN CC[C@H](C(=O)NCCOC)n1cc(-c2nc(C)no2)ccc1=O ZINC000075165638 191438679 /nfs/dbraw/zinc/43/86/79/191438679.db2.gz CMEQGUXCJOZBLB-GFCCVEGCSA-N 0 0 320.349 0.920 50 0 DCAARN C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N1CCCC1 ZINC000005103061 181203854 /nfs/dbraw/zinc/20/38/54/181203854.db2.gz RGTJWMDZRMNLLM-LLVKDONJSA-N 0 0 315.333 0.830 50 0 DCAARN O=c1[nH]cc(S(=O)(=O)Nc2ccccc2Cl)c(=O)[nH]1 ZINC000005187536 181215294 /nfs/dbraw/zinc/21/52/94/181215294.db2.gz BFZXBQHZWMHXCD-UHFFFAOYSA-N 0 0 301.711 0.517 50 0 DCAARN CC(=O)NCCNC(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000005195146 181215900 /nfs/dbraw/zinc/21/59/00/181215900.db2.gz DWZCCTZHFWWDDT-GFCCVEGCSA-N 0 0 322.340 0.366 50 0 DCAARN CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C[C@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000005215806 181217669 /nfs/dbraw/zinc/21/76/69/181217669.db2.gz CWKHMXLOOBRICA-NLIDSEJHSA-N 0 0 321.373 0.901 50 0 DCAARN C[C@@H](OC(=O)CCCc1nc2ccccc2c(=O)[nH]1)C(N)=O ZINC000005312849 181228365 /nfs/dbraw/zinc/22/83/65/181228365.db2.gz JGTYFTRDMSSTIX-SECBINFHSA-N 0 0 303.318 0.663 50 0 DCAARN O=C1N=C(N2CCOCC2)NC1=Cc1ccc2c(c1)OCO2 ZINC000005763900 181281681 /nfs/dbraw/zinc/28/16/81/181281681.db2.gz DHUALHRRYFDDKC-YRNVUSSQSA-N 0 0 301.302 0.574 50 0 DCAARN Nc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n[nH]1 ZINC000005763946 181281739 /nfs/dbraw/zinc/28/17/39/181281739.db2.gz ZVUQLDQMPOWVHZ-UHFFFAOYSA-N 0 0 302.338 0.438 50 0 DCAARN COc1ccc(CNC(=O)CN2CCN(C(N)=O)CC2)cc1 ZINC000089442458 192791794 /nfs/dbraw/zinc/79/17/94/192791794.db2.gz DIDIUWIWBNJSJI-UHFFFAOYSA-N 0 0 306.366 0.008 50 0 DCAARN C[C@H]1Nc2[nH]c(N)nc(=O)c2N(C(=O)c2cccnc2)[C@H]1C ZINC000005130902 291195139 /nfs/dbraw/zinc/19/51/39/291195139.db2.gz BTWHZQREJHEVAN-SFYZADRCSA-N 0 0 300.322 0.596 50 0 DCAARN CCc1n[nH]cc1C(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 ZINC000243932113 202480135 /nfs/dbraw/zinc/48/01/35/202480135.db2.gz BSZJSCQHPNLVPJ-PXWWUCIGSA-N 0 0 303.366 0.948 50 0 DCAARN CCOC(=O)CCCNC(=O)Cn1c(=O)cnc2ccccc21 ZINC000006053807 181308663 /nfs/dbraw/zinc/30/86/63/181308663.db2.gz ADKNSYWNJPZLIG-UHFFFAOYSA-N 0 0 317.345 0.856 50 0 DCAARN Cc1c(C(=O)O[C@H](C)C(N)=O)sc2nc3n(c(=O)c12)CCC3 ZINC000006216926 181320326 /nfs/dbraw/zinc/32/03/26/181320326.db2.gz YKYHQZGRXNSVTL-SSDOTTSWSA-N 0 0 321.358 0.743 50 0 DCAARN O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1c[nH]c(=O)cn1 ZINC000244763950 202496367 /nfs/dbraw/zinc/49/63/67/202496367.db2.gz OYILBWQKYPWCKO-GPCCPHFNSA-N 0 0 300.318 0.819 50 0 DCAARN O=S(=O)(c1ccc(OCc2ccon2)cc1)N1CC(CO)C1 ZINC000408525431 239272523 /nfs/dbraw/zinc/27/25/23/239272523.db2.gz ZZEJIXDCSGOAJI-UHFFFAOYSA-N 0 0 324.358 0.866 50 0 DCAARN O=C(NCc1nnc2c(=O)[nH]ccn12)c1cnc2ccccc2n1 ZINC000244969045 202508721 /nfs/dbraw/zinc/50/87/21/202508721.db2.gz GVXVRFYEMWLZLD-UHFFFAOYSA-N 0 0 321.300 0.703 50 0 DCAARN O=c1c2ccccc2nnn1Cn1nnc2ccccc2c1=O ZINC000006560633 181355102 /nfs/dbraw/zinc/35/51/02/181355102.db2.gz MYXHLAKIVOYAKC-UHFFFAOYSA-N 0 0 306.285 0.402 50 0 DCAARN CCNC(=O)NC(=O)[C@H](Sc1nnnn1C)c1ccccc1 ZINC000006589953 181358403 /nfs/dbraw/zinc/35/84/03/181358403.db2.gz USBJJAWZEVXXAU-SNVBAGLBSA-N 0 0 320.378 0.889 50 0 DCAARN O=C(Cn1cnnn1)NN1C(=O)c2cccc3cccc(c32)C1=O ZINC000006638648 181363636 /nfs/dbraw/zinc/36/36/36/181363636.db2.gz KKJVSTNVWUMMAG-UHFFFAOYSA-N 0 0 322.284 0.154 50 0 DCAARN CN1C(=O)N(CC(=O)NC2=NCCS2)C(=O)C12CCCCC2 ZINC000006648171 181364579 /nfs/dbraw/zinc/36/45/79/181364579.db2.gz FZLFAWZOTIYSKZ-UHFFFAOYSA-N 0 0 324.406 0.802 50 0 DCAARN CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOC)cc1 ZINC000006697250 181371631 /nfs/dbraw/zinc/37/16/31/181371631.db2.gz HONBSFQQAHKANN-UHFFFAOYSA-N 0 0 300.380 0.849 50 0 DCAARN CC(=O)c1cccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000006719401 181376840 /nfs/dbraw/zinc/37/68/40/181376840.db2.gz JRAMKMPCAPOWEP-VXGBXAGGSA-N 0 0 310.400 0.749 50 0 DCAARN CCN(C#N)c1nc(N(CC)CC)nc(N2CCOCC2)n1 ZINC000006730102 181378095 /nfs/dbraw/zinc/37/80/95/181378095.db2.gz OQFDUBYRSFOMII-UHFFFAOYSA-N 0 0 305.386 0.862 50 0 DCAARN Cc1cnn(CC(=O)N2NC(C(F)F)=C[C@]2(O)C(F)F)c1 ZINC000006790126 181389037 /nfs/dbraw/zinc/38/90/37/181389037.db2.gz ZTIMENVUONOLJL-NSHDSACASA-N 0 0 308.235 0.999 50 0 DCAARN CCCNC(=O)NC(=O)CSc1n[nH]c(=O)n1CCC ZINC000006888120 181401994 /nfs/dbraw/zinc/40/19/94/181401994.db2.gz YANMESXVAZXMSH-UHFFFAOYSA-N 0 0 301.372 0.309 50 0 DCAARN O=C(COc1ccc(F)cc1F)N[C@H]1C=CS(=O)(=O)C1 ZINC000091289535 193032156 /nfs/dbraw/zinc/03/21/56/193032156.db2.gz LLUFRAYHFQSTKH-VIFPVBQESA-N 0 0 303.286 0.771 50 0 DCAARN Cc1ncc(C(=O)NCCc2nc3c(s2)CCC3)c(=O)[nH]1 ZINC000091327059 193042013 /nfs/dbraw/zinc/04/20/13/193042013.db2.gz SFAFYDNOHUVRIV-UHFFFAOYSA-N 0 0 304.375 0.996 50 0 DCAARN CSCC(=O)N1C[C@H]2CN(c3cc[nH+]cc3)C[C@@]2(C(=O)[O-])C1 ZINC000091434167 193054719 /nfs/dbraw/zinc/05/47/19/193054719.db2.gz ZQFGOOLWTGKONW-IAQYHMDHSA-N 0 0 321.402 0.794 50 0 DCAARN CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cnc(C)[nH]c1=O ZINC000091605071 193078916 /nfs/dbraw/zinc/07/89/16/193078916.db2.gz DTFGFXKHZWDVCD-GFCCVEGCSA-N 0 0 306.366 0.551 50 0 DCAARN COCCc1nc(CNC(=O)c2cn3ccsc3n2)no1 ZINC000091665399 193088312 /nfs/dbraw/zinc/08/83/12/193088312.db2.gz PXDDQEVKPYGYTI-UHFFFAOYSA-N 0 0 307.335 0.898 50 0 DCAARN CC(C)c1noc(CCNC(=O)[C@H]2CCCN(C(N)=O)C2)n1 ZINC000091626414 193081097 /nfs/dbraw/zinc/08/10/97/193081097.db2.gz ZUFINNLMTOPGQD-JTQLQIEISA-N 0 0 309.370 0.642 50 0 DCAARN COCc1cc(CNC(=O)C2CCN(C(=O)C3CC3)CC2)[nH]n1 ZINC000091907463 193125298 /nfs/dbraw/zinc/12/52/98/193125298.db2.gz NHSKJDKIXHQHPM-UHFFFAOYSA-N 0 0 320.393 0.821 50 0 DCAARN COc1cc2c(cc1CN1CCN(C(C)=O)C[C@@H](O)C1)OCO2 ZINC000092078014 193153415 /nfs/dbraw/zinc/15/34/15/193153415.db2.gz NXXHBDDCNBQQCZ-ZDUSSCGKSA-N 0 0 322.361 0.449 50 0 DCAARN CCn1c(Cn2cccn2)nnc1C1CCN(CC(N)=O)CC1 ZINC000092081690 193154900 /nfs/dbraw/zinc/15/49/00/193154900.db2.gz LJCLGKZFAHUDGT-UHFFFAOYSA-N 0 0 317.397 0.208 50 0 DCAARN Nc1nc(N)nc(COC(=O)c2ccc3c(c2)OCCO3)n1 ZINC000006990456 181430508 /nfs/dbraw/zinc/43/05/08/181430508.db2.gz DTWXHMAECMAPAJ-UHFFFAOYSA-N 0 0 303.278 0.164 50 0 DCAARN C[C@@H](Cc1cnccn1)N(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000218902468 201545333 /nfs/dbraw/zinc/54/53/33/201545333.db2.gz KMXWGXFGMCPPDL-JTQLQIEISA-N 0 0 319.365 0.196 50 0 DCAARN NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1cncc(Cl)c1 ZINC000219334425 201554589 /nfs/dbraw/zinc/55/45/89/201554589.db2.gz SLWDLDKMNMQRTJ-MNOVXSKESA-N 0 0 313.741 0.124 50 0 DCAARN COCCn1cnnc1CCNC(=O)c1cnc(SC)nc1 ZINC000219332356 201554650 /nfs/dbraw/zinc/55/46/50/201554650.db2.gz SKVJGVDPHFAJCJ-UHFFFAOYSA-N 0 0 322.394 0.409 50 0 DCAARN CSc1ncc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cn1 ZINC000220065122 201568514 /nfs/dbraw/zinc/56/85/14/201568514.db2.gz PWTGNPVKZMBAFW-NSHDSACASA-N 0 0 301.393 0.506 50 0 DCAARN CC(=O)NCCCC(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 ZINC000220667649 201579000 /nfs/dbraw/zinc/57/90/00/201579000.db2.gz GNFIUFRINWOLFD-HUUCEWRRSA-N 0 0 312.410 0.993 50 0 DCAARN Cc1nn[nH]c1C(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 ZINC000223521875 201647931 /nfs/dbraw/zinc/64/79/31/201647931.db2.gz MVEQSVFBRMJGSK-GHMZBOCLSA-N 0 0 323.378 0.674 50 0 DCAARN Cc1nc2c(s1)CCC[C@H]2NC(=O)CCNS(C)(=O)=O ZINC000252509055 202860113 /nfs/dbraw/zinc/86/01/13/202860113.db2.gz YBTDLIWJDGUMIG-SECBINFHSA-N 0 0 317.436 0.884 50 0 DCAARN CC(=O)N1CCC(C(=O)N2CC(Nc3ncccn3)C2)CC1 ZINC000253473448 202892436 /nfs/dbraw/zinc/89/24/36/202892436.db2.gz UXPUUSMXNXKFIX-UHFFFAOYSA-N 0 0 303.366 0.358 50 0 DCAARN COc1ccccc1CNC(=O)CCCN1C(=O)CN(C)C1=O ZINC000007667552 181485155 /nfs/dbraw/zinc/48/51/55/181485155.db2.gz FRLBASKEUGFXRB-UHFFFAOYSA-N 0 0 319.361 0.986 50 0 DCAARN COc1cccc2c1OC[C@H](CNC(=O)C1(C(N)=O)CC1)C2 ZINC000095356007 193427878 /nfs/dbraw/zinc/42/78/78/193427878.db2.gz PRIAQDIOOMAOAP-JTQLQIEISA-N 0 0 304.346 0.628 50 0 DCAARN COc1cccc2c1OC[C@@H](CNC(=O)CN1CCOCC1)C2 ZINC000095361083 193430963 /nfs/dbraw/zinc/43/09/63/193430963.db2.gz JOSRSSYNZRUPMH-CYBMUJFWSA-N 0 0 320.389 0.695 50 0 DCAARN COc1cccc2c1OC[C@H](C(=O)NCc1nc(N)n[nH]1)C2 ZINC000095384906 193441577 /nfs/dbraw/zinc/44/15/77/193441577.db2.gz IIINPNGGHILQEC-SECBINFHSA-N 0 0 303.322 0.263 50 0 DCAARN Cc1noc(C)c1CN1CC2(CC1=O)CCN(CC(N)=O)CC2 ZINC000095388490 193442811 /nfs/dbraw/zinc/44/28/11/193442811.db2.gz UMPOIBGSUJCIDA-UHFFFAOYSA-N 0 0 320.393 0.591 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)/C=C\c2cccnc2)C1 ZINC000096166176 193558942 /nfs/dbraw/zinc/55/89/42/193558942.db2.gz LEOVIERDXNOWKL-FWWRYZNZSA-N 0 0 309.391 0.635 50 0 DCAARN CCOc1ccc(N2C[C@@H](CNS(C)(=O)=O)CC2=O)cc1 ZINC000009035938 181597807 /nfs/dbraw/zinc/59/78/07/181597807.db2.gz ISBJNJJQRZCTJN-LLVKDONJSA-N 0 0 312.391 0.987 50 0 DCAARN CCCNC(=O)CN(C)C(=O)CNC(=O)Cc1ccccc1 ZINC000008985982 181595141 /nfs/dbraw/zinc/59/51/41/181595141.db2.gz RRJSMOUDFIHRKK-UHFFFAOYSA-N 0 0 305.378 0.330 50 0 DCAARN COc1cccc(CN2C(=S)N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000009303296 181611977 /nfs/dbraw/zinc/61/19/77/181611977.db2.gz UNZRSVYPDIXITB-RYUDHWBXSA-N 0 0 312.416 0.551 50 0 DCAARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccncc1 ZINC000009061166 181599589 /nfs/dbraw/zinc/59/95/89/181599589.db2.gz IZCCYNHZWGZCIW-UHFFFAOYSA-N 0 0 310.313 0.401 50 0 DCAARN CCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000009987404 181651278 /nfs/dbraw/zinc/65/12/78/181651278.db2.gz VNZKDGAFTJOFNO-UHFFFAOYSA-N 0 0 318.420 0.795 50 0 DCAARN Cn1ncc2c1ncn(CC(=O)N1CCc3ccccc31)c2=O ZINC000011367907 181690037 /nfs/dbraw/zinc/69/00/37/181690037.db2.gz HJHRITLEUWLVIF-UHFFFAOYSA-N 0 0 309.329 0.719 50 0 DCAARN CCc1ccc(S(=O)(=O)NCCn2ncccc2=O)s1 ZINC000011856329 181711890 /nfs/dbraw/zinc/71/18/90/181711890.db2.gz LYWSYJGBTGXKMN-UHFFFAOYSA-N 0 0 313.404 0.846 50 0 DCAARN COc1cc(C[C@H]2CC(C(N)=O)=NO2)c(OC)c2c1OCO2 ZINC000012418097 181759314 /nfs/dbraw/zinc/75/93/14/181759314.db2.gz UTADDUDKHGZBFD-QMMMGPOBSA-N 0 0 308.290 0.605 50 0 DCAARN C[C@@H]1CN(C(=O)NCc2noc3c2CCCC3)C[C@H]1C(N)=O ZINC000288294135 220067872 /nfs/dbraw/zinc/06/78/72/220067872.db2.gz XPWWQBMVRYNLLP-MWLCHTKSSA-N 0 0 306.366 0.816 50 0 DCAARN COC(=O)[C@@H]1CCCN(C(=O)Nc2nnc(OC)s2)C1 ZINC000282917742 217324362 /nfs/dbraw/zinc/32/43/62/217324362.db2.gz VRJAOAYAIFNNEY-SSDOTTSWSA-N 0 0 300.340 0.964 50 0 DCAARN O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC1CC1 ZINC000017123113 182076518 /nfs/dbraw/zinc/07/65/18/182076518.db2.gz ZCWYHYYLLFXCTM-UHFFFAOYSA-N 0 0 304.318 0.912 50 0 DCAARN O=C(Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1)c1nc[nH]n1 ZINC000018284730 182101514 /nfs/dbraw/zinc/10/15/14/182101514.db2.gz WSAKETQGNYZIIH-LBPRGKRZSA-N 0 0 315.333 0.966 50 0 DCAARN Cc1cccc(C)c1OCc1nnc(SCC(N)=O)n1N ZINC000018763425 182102420 /nfs/dbraw/zinc/10/24/20/182102420.db2.gz BTGDRHACKZJOLO-UHFFFAOYSA-N 0 0 307.379 0.765 50 0 DCAARN Cn1c2ccc(CNC(=O)CCn3cncn3)cc2n(C)c1=O ZINC000019225793 182108274 /nfs/dbraw/zinc/10/82/74/182108274.db2.gz HVKDKVHAVVNVDZ-UHFFFAOYSA-N 0 0 314.349 0.175 50 0 DCAARN CC(=O)Cn1c(CN2CCOCC2)nc2ccccc2c1=O ZINC000019229933 182109021 /nfs/dbraw/zinc/10/90/21/182109021.db2.gz GMMTXJWMBCEGND-UHFFFAOYSA-N 0 0 301.346 0.818 50 0 DCAARN CCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000019796866 182150942 /nfs/dbraw/zinc/15/09/42/182150942.db2.gz TYLVHRDICXITQK-STQMWFEESA-N 0 0 317.432 0.626 50 0 DCAARN CCCS(=O)(=O)NCCNc1ccc(-n2ccc(C)n2)nn1 ZINC000019924020 182165035 /nfs/dbraw/zinc/16/50/35/182165035.db2.gz DCNOVNDAYIUHHK-UHFFFAOYSA-N 0 0 324.410 0.712 50 0 DCAARN O=C(CN1CCOC1=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000020322130 182206992 /nfs/dbraw/zinc/20/69/92/182206992.db2.gz VKKCIWDZIADVFO-UHFFFAOYSA-N 0 0 317.345 0.882 50 0 DCAARN CCOC(=O)[C@H](N)CSCC(=O)NCCc1ccccc1 ZINC000020366744 182211835 /nfs/dbraw/zinc/21/18/35/182211835.db2.gz IQNXRHNXPZWTQR-CYBMUJFWSA-N 0 0 310.419 0.969 50 0 DCAARN O=c1c2cnc3ncnn3c2ccn1CCCN1CCOCC1 ZINC000020556240 182231637 /nfs/dbraw/zinc/23/16/37/182231637.db2.gz HCVLAFGLUYJWFL-UHFFFAOYSA-N 0 0 314.349 0.162 50 0 DCAARN COc1cc([C@H]2NC(=O)Nc3c2c(=O)[nH]c(=O)n3C)ccc1O ZINC000020763193 182246544 /nfs/dbraw/zinc/24/65/44/182246544.db2.gz KEDXSQJLADXIEB-SNVBAGLBSA-N 0 0 318.289 0.012 50 0 biogenic DCAARN CCCN1C[C@H](NC(=O)[C@@H]2COc3ccccc3O2)CC1=O ZINC000020996161 182258354 /nfs/dbraw/zinc/25/83/54/182258354.db2.gz UVWMZPAZONTGRL-RISCZKNCSA-N 0 0 304.346 0.954 50 0 DCAARN CCC(=O)N1CCc2cc(CNS(=O)(=O)N(C)C)ccc21 ZINC000021109205 182265340 /nfs/dbraw/zinc/26/53/40/182265340.db2.gz SUJRYMVUIXEHFB-UHFFFAOYSA-N 0 0 311.407 0.882 50 0 DCAARN COc1ccc(S(=O)(=O)NCC(=O)N(C)C)cc1OC ZINC000021185687 182269163 /nfs/dbraw/zinc/26/91/63/182269163.db2.gz NWTIBARRSJQXNP-UHFFFAOYSA-N 0 0 302.352 0.070 50 0 DCAARN COC(=O)c1ccc(CN2CC(=O)N3CCC[C@H]3C2=O)cc1 ZINC000021522633 182278514 /nfs/dbraw/zinc/27/85/14/182278514.db2.gz XOEYYLAHOHHSIE-ZDUSSCGKSA-N 0 0 302.330 0.806 50 0 DCAARN Nc1nonc1C(=O)NCCNC(=O)Nc1cccc(F)c1 ZINC000021797811 182289689 /nfs/dbraw/zinc/28/96/89/182289689.db2.gz JLLWDFAVWJGFOW-UHFFFAOYSA-N 0 0 308.273 0.342 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000022766588 182333796 /nfs/dbraw/zinc/33/37/96/182333796.db2.gz PXILMOKOEPXEGP-MRVPVSSYSA-N 0 0 305.256 0.338 50 0 DCAARN COCCN1CCN(CC(=O)NCCc2cccs2)CC1 ZINC000022916546 182341062 /nfs/dbraw/zinc/34/10/62/182341062.db2.gz LIEPPKVPDXSMEC-UHFFFAOYSA-N 0 0 311.451 0.671 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)Nc2nc[nH]n2)cc(C)c1C ZINC000023142228 182350876 /nfs/dbraw/zinc/35/08/76/182350876.db2.gz IMHGWYLMICBLDX-UHFFFAOYSA-N 0 0 309.351 0.582 50 0 DCAARN O=C(c1ccncc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000023315212 182356322 /nfs/dbraw/zinc/35/63/22/182356322.db2.gz URBZKZRVADNNBR-CQSZACIVSA-N 0 0 303.362 0.793 50 0 DCAARN C[C@H](C(=O)NC1CCCCC1)N1CCN(CC(=O)N(C)C)CC1 ZINC000023289381 182356365 /nfs/dbraw/zinc/35/63/65/182356365.db2.gz AXRQBILHHYCTNK-CQSZACIVSA-N 0 0 324.469 0.530 50 0 DCAARN CCOc1ncccc1NC(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000572908825 291597997 /nfs/dbraw/zinc/59/79/97/291597997.db2.gz WFOKDTSVZMKOCG-UHFFFAOYSA-N 0 0 322.346 0.775 50 0 DCAARN CN(C)c1nc(N)nc(Cn2cccc(C(F)(F)F)c2=O)n1 ZINC000023107711 182347363 /nfs/dbraw/zinc/34/73/63/182347363.db2.gz ZXNSICHTHPSOSQ-UHFFFAOYSA-N 0 0 314.271 0.749 50 0 DCAARN CCCn1c2ccccc2n(CC(=O)N2CCNC(=O)C2)c1=O ZINC000023420860 182360509 /nfs/dbraw/zinc/36/05/09/182360509.db2.gz FCWQFEIVXOHXEK-UHFFFAOYSA-N 0 0 316.361 0.171 50 0 DCAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCNC(=O)C1 ZINC000023420586 182360798 /nfs/dbraw/zinc/36/07/98/182360798.db2.gz WJFGJEHSQJYKHX-UHFFFAOYSA-N 0 0 318.308 0.767 50 0 DCAARN O=C(CN1CCN(Cc2ccco2)CC1)NC[C@@H]1CCCO1 ZINC000023467620 182361776 /nfs/dbraw/zinc/36/17/76/182361776.db2.gz XOTFZYZNTMAONG-AWEZNQCLSA-N 0 0 307.394 0.692 50 0 DCAARN CN(Cc1ccc2c(c1)OCO2)C(=O)CN1CSCC1=O ZINC000023750759 182368474 /nfs/dbraw/zinc/36/84/74/182368474.db2.gz LULRUWWHBNZCQW-UHFFFAOYSA-N 0 0 308.359 0.907 50 0 DCAARN Cn1ccc(NC(=O)CCNS(=O)(=O)c2cccs2)n1 ZINC000024472945 182381734 /nfs/dbraw/zinc/38/17/34/182381734.db2.gz VQVKTRDGZZTHJU-UHFFFAOYSA-N 0 0 314.392 0.789 50 0 DCAARN COc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CCCN3C2=O)cc1 ZINC000024719727 182388740 /nfs/dbraw/zinc/38/87/40/182388740.db2.gz MWDWDGIFPDJWSM-BXUZGUMPSA-N 0 0 320.345 0.862 50 0 DCAARN O=C(c1cccnc1-n1cncn1)N1CCC2(CC1)OCCO2 ZINC000024998329 182398349 /nfs/dbraw/zinc/39/83/49/182398349.db2.gz NDTLLPZASZIKSM-UHFFFAOYSA-N 0 0 315.333 0.641 50 0 DCAARN CC(=O)N[C@H](C(=O)Nc1ccc(-n2cncn2)nc1)C(C)C ZINC000029271566 182558536 /nfs/dbraw/zinc/55/85/36/182558536.db2.gz DMAIUMZMFYYVCQ-ZDUSSCGKSA-N 0 0 302.338 0.762 50 0 DCAARN CN(C(=O)c1cc(-c2ccco2)n[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000028993756 182548334 /nfs/dbraw/zinc/54/83/34/182548334.db2.gz OHWKDGZJDYTJJE-VIFPVBQESA-N 0 0 309.347 0.929 50 0 DCAARN NC(=O)[C@H]1CC(C(=O)NC[C@@H]2CCCO2)=NN1c1ccccc1 ZINC000029403496 182564614 /nfs/dbraw/zinc/56/46/14/182564614.db2.gz CQJGCAAYRGYTTQ-GXTWGEPZSA-N 0 0 316.361 0.402 50 0 DCAARN O=C(CNC(=O)c1ccccc1F)NCCCn1cccn1 ZINC000030169487 182584902 /nfs/dbraw/zinc/58/49/02/182584902.db2.gz QMDQMRQKLBDMTL-UHFFFAOYSA-N 0 0 304.325 0.959 50 0 DCAARN Cc1ccccc1OCC(=O)O[C@@H](C)C(=O)N1CCNC1=O ZINC000032774301 182662031 /nfs/dbraw/zinc/66/20/31/182662031.db2.gz XUTUJSAPMCOFNG-NSHDSACASA-N 0 0 306.318 0.857 50 0 DCAARN NS(=O)(=O)c1ccc(CNC(=O)NCc2ccco2)cc1 ZINC000032841335 182670489 /nfs/dbraw/zinc/67/04/89/182670489.db2.gz KBHJFAGSGLKHMZ-UHFFFAOYSA-N 0 0 309.347 0.926 50 0 DCAARN CCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000035168846 182758895 /nfs/dbraw/zinc/75/88/95/182758895.db2.gz VYUVLNRZUHSJJB-UHFFFAOYSA-N 0 0 312.391 0.784 50 0 DCAARN CN1CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000035360221 182772567 /nfs/dbraw/zinc/77/25/67/182772567.db2.gz QEDZSXBXDVMQEQ-UHFFFAOYSA-N 0 0 318.420 0.026 50 0 DCAARN CC(=O)Nc1ccc(S(=O)(=O)NCc2nc(C)no2)cc1 ZINC000038680865 183006295 /nfs/dbraw/zinc/00/62/95/183006295.db2.gz QSOGNSNWVPNENY-UHFFFAOYSA-N 0 0 310.335 0.815 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CCCN(CC(=O)N(C)C)CC1 ZINC000040087864 183032857 /nfs/dbraw/zinc/03/28/57/183032857.db2.gz HQDQMWPEJVYCAP-UHFFFAOYSA-N 0 0 322.409 0.456 50 0 DCAARN CC[C@](C)(CNC(=O)Cn1ccccc1=O)N1CCOCC1 ZINC000040089362 183032863 /nfs/dbraw/zinc/03/28/63/183032863.db2.gz YEKIQKAYOWVLMY-MRXNPFEDSA-N 0 0 307.394 0.465 50 0 DCAARN CC(=O)N1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 ZINC000040460908 183070190 /nfs/dbraw/zinc/07/01/90/183070190.db2.gz ZMWJZFQBRJDTMU-CQSZACIVSA-N 0 0 302.330 0.459 50 0 DCAARN CC(C)C(=O)N1CCN([C@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000040477283 183075273 /nfs/dbraw/zinc/07/52/73/183075273.db2.gz IYSUYXHZJJMCFH-LLVKDONJSA-N 0 0 321.429 0.381 50 0 DCAARN CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc(=O)[nH]n2)c1 ZINC000040487786 183078569 /nfs/dbraw/zinc/07/85/69/183078569.db2.gz KSSAARXJOFZNIU-UHFFFAOYSA-N 0 0 322.346 0.071 50 0 DCAARN CN(C(=O)c1cnn(C)c1-n1cccc1)[C@H]1CCS(=O)(=O)C1 ZINC000040490399 183079832 /nfs/dbraw/zinc/07/98/32/183079832.db2.gz YQTSZUGTXDUNMO-NSHDSACASA-N 0 0 322.390 0.470 50 0 DCAARN C[C@H](C(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccccc1 ZINC000040493654 183080259 /nfs/dbraw/zinc/08/02/59/183080259.db2.gz XJLMEOPJBKQHJN-LLVKDONJSA-N 0 0 324.402 0.573 50 0 DCAARN NC(=O)c1ccc(S(=O)(=O)NCCc2cccnc2)cc1 ZINC000040496174 183081253 /nfs/dbraw/zinc/08/12/53/183081253.db2.gz FVQLXRYFVZEGFL-UHFFFAOYSA-N 0 0 305.359 0.702 50 0 DCAARN O=C(NC[C@@H]1CCCO1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000040505021 183085182 /nfs/dbraw/zinc/08/51/82/183085182.db2.gz BEBWTLSUXDOMHB-OCCSQVGLSA-N 0 0 303.362 0.725 50 0 DCAARN CN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)S(C)(=O)=O ZINC000040505173 183085560 /nfs/dbraw/zinc/08/55/60/183085560.db2.gz GTKOCKZHPODDOQ-QMMMGPOBSA-N 0 0 302.318 0.679 50 0 DCAARN Cc1cc(CN(C)S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000040505366 183085611 /nfs/dbraw/zinc/08/56/11/183085611.db2.gz LRARFZDVIVGYRO-PHIMTYICSA-N 0 0 303.384 0.769 50 0 DCAARN CCN(CC)S(=O)(=O)NCc1cccnc1-n1cccn1 ZINC000040515887 183089674 /nfs/dbraw/zinc/08/96/74/183089674.db2.gz WWUJGFWZDMRMKZ-UHFFFAOYSA-N 0 0 309.395 0.944 50 0 DCAARN CS(=O)(=O)Cc1cccc(C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000040521785 183090756 /nfs/dbraw/zinc/09/07/56/183090756.db2.gz HHEUHISIJAOZCX-ZDUSSCGKSA-N 0 0 324.402 0.630 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCOC2=O)cc1 ZINC000040523553 183091692 /nfs/dbraw/zinc/09/16/92/183091692.db2.gz TYWJGJLTPLDOMY-NSHDSACASA-N 0 0 324.358 0.560 50 0 DCAARN O=C(CN1CCSC1=O)NCc1ccc(-n2cncn2)nc1 ZINC000040529464 183094133 /nfs/dbraw/zinc/09/41/33/183094133.db2.gz KNYZGZJSTLKKFX-UHFFFAOYSA-N 0 0 318.362 0.447 50 0 DCAARN C[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)c1nncn1C ZINC000040539996 183096930 /nfs/dbraw/zinc/09/69/30/183096930.db2.gz GOBKPIBYMUQOPU-NXEZZACHSA-N 0 0 300.384 0.284 50 0 DCAARN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCOCC1 ZINC000040540059 183097406 /nfs/dbraw/zinc/09/74/06/183097406.db2.gz OWKPZFMLQQNLSK-CQSZACIVSA-N 0 0 319.340 0.763 50 0 DCAARN Cc1ccc(CNC(=O)N2CCCN(CC(N)=O)CC2)cc1 ZINC000040555034 183101847 /nfs/dbraw/zinc/10/18/47/183101847.db2.gz RSDDYIGPQKQRJH-UHFFFAOYSA-N 0 0 304.394 0.698 50 0 DCAARN CCOc1cc(S(=O)(=O)N(CCO)CCO)ccc1Cl ZINC000041096532 183165102 /nfs/dbraw/zinc/16/51/02/183165102.db2.gz XXOXKGZNJIVAMD-UHFFFAOYSA-N 0 0 323.798 0.714 50 0 DCAARN C[C@@H]1CN(CCNC(=O)CN2CCSC2=O)C[C@H](C)O1 ZINC000041943740 183225962 /nfs/dbraw/zinc/22/59/62/183225962.db2.gz HMIINONVGPPWNL-PHIMTYICSA-N 0 0 301.412 0.381 50 0 DCAARN COc1ccccc1C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000042383976 183262719 /nfs/dbraw/zinc/26/27/19/183262719.db2.gz QAVTYAPZBKQXPL-UHFFFAOYSA-N 0 0 324.402 0.945 50 0 DCAARN Cc1ccc(C(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cn1 ZINC000042394273 183263648 /nfs/dbraw/zinc/26/36/48/183263648.db2.gz SNHPIGZEFRWENE-JKSUJKDBSA-N 0 0 319.405 0.857 50 0 DCAARN O=C(NCc1nnc2n1CCC2)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000042663646 183294942 /nfs/dbraw/zinc/29/49/42/183294942.db2.gz TZOJQSDATLJLOW-LBPRGKRZSA-N 0 0 312.329 0.622 50 0 DCAARN O=C(Cn1nnc2ccccc21)NCCN1CCCCCC1=O ZINC000042923309 183318850 /nfs/dbraw/zinc/31/88/50/183318850.db2.gz MXOARGDNGWBBGT-UHFFFAOYSA-N 0 0 315.377 0.950 50 0 DCAARN Cn1ncc2c1CCC[C@H]2NC(=O)N1CCC(C(N)=O)CC1 ZINC000042948882 183320579 /nfs/dbraw/zinc/32/05/79/183320579.db2.gz DFBUVNAROPCJOA-GFCCVEGCSA-N 0 0 305.382 0.704 50 0 DCAARN NC(=O)C(NC(=O)c1ccc(-c2ccc(F)cc2)s1)C(N)=O ZINC000042788896 183309180 /nfs/dbraw/zinc/30/91/80/183309180.db2.gz BYSWYHZLHZGDLL-UHFFFAOYSA-N 0 0 321.333 0.623 50 0 DCAARN C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccn1 ZINC000043181489 183343888 /nfs/dbraw/zinc/34/38/88/183343888.db2.gz GDIGYRSHTLMVSS-LLVKDONJSA-N 0 0 312.395 0.429 50 0 DCAARN CS(=O)(=O)c1ccc(CNC(=O)c2ccc[nH]c2=O)cc1 ZINC000043072744 183334619 /nfs/dbraw/zinc/33/46/19/183334619.db2.gz MPAFOLQVUZXHOG-UHFFFAOYSA-N 0 0 306.343 0.708 50 0 DCAARN Cc1ccccc1CNC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000043480127 183365854 /nfs/dbraw/zinc/36/58/54/183365854.db2.gz KBPZAXYTFHFOSQ-UHFFFAOYSA-N 0 0 311.407 0.782 50 0 DCAARN O=C(NCc1nnc2n1CCC2)c1cccnc1-n1cncn1 ZINC000043689433 183381424 /nfs/dbraw/zinc/38/14/24/183381424.db2.gz DQJGBRNHSJAGGZ-UHFFFAOYSA-N 0 0 310.321 0.130 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)NCCc2ccc3c(c2)OCO3)C1 ZINC000043889456 183389296 /nfs/dbraw/zinc/38/92/96/183389296.db2.gz WAMGWLIAQNGTDJ-LLVKDONJSA-N 0 0 305.334 0.475 50 0 DCAARN CC[C@H](C)[C@@H](NC(=O)CN1CCC(CO)CC1)C(=O)OC ZINC000046090698 183550493 /nfs/dbraw/zinc/55/04/93/183550493.db2.gz YUNLGXRGEXROSA-SMDDNHRTSA-N 0 0 300.399 0.395 50 0 DCAARN CCC(C)(C)NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000047666054 183600661 /nfs/dbraw/zinc/60/06/61/183600661.db2.gz PHHCXCFRFBKONN-WDEREUQCSA-N 0 0 316.423 0.327 50 0 DCAARN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000106510616 194221626 /nfs/dbraw/zinc/22/16/26/194221626.db2.gz SXAUNLLPTSVXTJ-YIYPIFLZSA-N 0 0 323.437 0.611 50 0 DCAARN CC(=O)N1CCC(NC(=O)CCn2c(C)csc2=O)CC1 ZINC000048326802 183644508 /nfs/dbraw/zinc/64/45/08/183644508.db2.gz JITPXROLHSHBLH-UHFFFAOYSA-N 0 0 311.407 0.735 50 0 DCAARN CCS(=O)(=O)NCCCNC(=O)NCCc1ccccc1 ZINC000051233585 183820102 /nfs/dbraw/zinc/82/01/02/183820102.db2.gz JRQJQUANQYBCLB-UHFFFAOYSA-N 0 0 313.423 0.858 50 0 DCAARN Cc1cc(CN2CCN(C(=O)CCc3cnn(C)c3)CC2)on1 ZINC000054820536 183952421 /nfs/dbraw/zinc/95/24/21/183952421.db2.gz IFZCFIPNSVBCTK-UHFFFAOYSA-N 0 0 317.393 0.994 50 0 DCAARN O=C(CCSc1ccc2c(c1)OCCO2)N1CCNC(=O)C1 ZINC000055403498 183985478 /nfs/dbraw/zinc/98/54/78/183985478.db2.gz PRHAPHDKDCXNRG-UHFFFAOYSA-N 0 0 322.386 0.898 50 0 DCAARN CCc1cccc(N2C[C@H](C(=O)NC(C)(C)C(N)=O)CC2=O)c1 ZINC000057050946 184025752 /nfs/dbraw/zinc/02/57/52/184025752.db2.gz VCCQLPANFLBXBQ-GFCCVEGCSA-N 0 0 317.389 0.982 50 0 DCAARN Cc1nn(C)cc1CN(C)c1nc(N)nc2c1nc(C)n2C ZINC000057279140 184031290 /nfs/dbraw/zinc/03/12/90/184031290.db2.gz NRKYYWDGQUZQPP-UHFFFAOYSA-N 0 0 300.370 0.932 50 0 DCAARN C[C@@H]1CCCN(C(=O)c2cc(OCC(=O)N(C)C)n(C)n2)C1 ZINC000057312695 184032950 /nfs/dbraw/zinc/03/29/50/184032950.db2.gz VOBROBWLFCDIFA-LLVKDONJSA-N 0 0 308.382 0.759 50 0 DCAARN Cc1cc(C(=O)NC2CCN(C(=O)[C@@H]3CCCO3)CC2)on1 ZINC000058173076 184084313 /nfs/dbraw/zinc/08/43/13/184084313.db2.gz QNNHJFYSTYVWBW-LBPRGKRZSA-N 0 0 307.350 0.883 50 0 DCAARN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CC(=O)NC(N)=O ZINC000058191597 184085811 /nfs/dbraw/zinc/08/58/11/184085811.db2.gz SBYQWXAUSKUDJL-JTQLQIEISA-N 0 0 314.386 0.561 50 0 DCAARN O=C(CNC(=O)c1cnc2ccccc2c1O)Nc1cn[nH]c1 ZINC000058185487 184086120 /nfs/dbraw/zinc/08/61/20/184086120.db2.gz ZCGCHVGADUPMNV-UHFFFAOYSA-N 0 0 311.301 0.620 50 0 DCAARN CCOC(=O)C1CCN(C(=O)c2c(C)c(C)n[nH]c2=O)CC1 ZINC000058210895 184088535 /nfs/dbraw/zinc/08/85/35/184088535.db2.gz QSMNLHMZJGAWNO-UHFFFAOYSA-N 0 0 307.350 0.802 50 0 DCAARN C[C@@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)NC2(CCCC2)C1=O ZINC000058119640 184077107 /nfs/dbraw/zinc/07/71/07/184077107.db2.gz MQUVZRZZLWGBGO-QWRGUYRKSA-N 0 0 309.366 0.535 50 0 DCAARN CNC(=O)c1ccc(=O)n(CC(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000058162122 184082431 /nfs/dbraw/zinc/08/24/31/184082431.db2.gz CZCGLYNSBWGHSK-YPMHNXCESA-N 0 0 305.378 0.903 50 0 DCAARN CCN(CC)S(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000058268650 184097961 /nfs/dbraw/zinc/09/79/61/184097961.db2.gz MEHUNOUWGACVQE-RYUDHWBXSA-N 0 0 305.444 0.952 50 0 DCAARN Cc1cc([C@H](C)NC(=O)CN2CCS(=O)(=O)CC2)c(C)o1 ZINC000058289674 184100136 /nfs/dbraw/zinc/10/01/36/184100136.db2.gz HLBXLUPZXWULFS-NSHDSACASA-N 0 0 314.407 0.804 50 0 DCAARN C[C@@H](NC(=O)[C@H](C)NC(=O)c1cccs1)C(=O)N1CCCC1 ZINC000058311243 184104137 /nfs/dbraw/zinc/10/41/37/184104137.db2.gz XMUOSFFOIQUWFL-WDEREUQCSA-N 0 0 323.418 0.994 50 0 DCAARN Cc1noc2ncc(C(=O)N[C@@H](C)C(=O)N3CCOCC3)cc12 ZINC000058406415 184114282 /nfs/dbraw/zinc/11/42/82/184114282.db2.gz MNLTZOHLLMFGRE-JTQLQIEISA-N 0 0 318.333 0.508 50 0 DCAARN CS(=O)(=O)c1ccccc1NC(=O)CN1CSCC1=O ZINC000058615070 184124984 /nfs/dbraw/zinc/12/49/84/184124984.db2.gz FPBVZORTOJGZFI-UHFFFAOYSA-N 0 0 314.388 0.562 50 0 DCAARN CN1CCN(C(=O)c2c3c(sc2-n2cnnn2)CCC3)CC1 ZINC000061720585 184185450 /nfs/dbraw/zinc/18/54/50/184185450.db2.gz OUGICLFGELFZOK-UHFFFAOYSA-N 0 0 318.406 0.600 50 0 DCAARN Cc1csc(N2CCN(CCCNS(C)(=O)=O)CC2)n1 ZINC000064141335 184292751 /nfs/dbraw/zinc/29/27/51/184292751.db2.gz GQWJEQDUNHDALD-UHFFFAOYSA-N 0 0 318.468 0.513 50 0 DCAARN Cn1cc(CC(=O)NCCCN2CCOCC2)c2cccnc21 ZINC000065155937 184312835 /nfs/dbraw/zinc/31/28/35/184312835.db2.gz QOPLIAYWZARCMD-UHFFFAOYSA-N 0 0 316.405 0.954 50 0 DCAARN Cc1nnc2c(=O)n(CC(=O)N3CCCC3)c3cccnc3n12 ZINC000065173014 184313611 /nfs/dbraw/zinc/31/36/11/184313611.db2.gz NVQKUNUUHBCTBR-UHFFFAOYSA-N 0 0 312.333 0.370 50 0 DCAARN COCc1ccc(C(=O)N2CCN3CCNC(=O)[C@@H]3C2)s1 ZINC000065372491 184330226 /nfs/dbraw/zinc/33/02/26/184330226.db2.gz HMTMCQKGVYBLFS-NSHDSACASA-N 0 0 309.391 0.151 50 0 DCAARN Cc1n[nH]cc1CCCNC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000065437018 184345617 /nfs/dbraw/zinc/34/56/17/184345617.db2.gz YHNAOMWZOIUVDQ-LLVKDONJSA-N 0 0 300.384 0.137 50 0 DCAARN CS(=O)(=O)NCCNCC(=O)Nc1ccc(Cl)cc1F ZINC000065525816 184359432 /nfs/dbraw/zinc/35/94/32/184359432.db2.gz UWWXERIEZRYSJF-UHFFFAOYSA-N 0 0 323.777 0.556 50 0 DCAARN Cc1ccc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c(=O)[nH]1 ZINC000065552884 184365236 /nfs/dbraw/zinc/36/52/36/184365236.db2.gz PJDJESIUFDHDLF-ZDUSSCGKSA-N 0 0 305.378 0.620 50 0 DCAARN COc1ncccc1C(=O)N1CCC(N2CCNC2=O)CC1 ZINC000065553201 184365468 /nfs/dbraw/zinc/36/54/68/184365468.db2.gz YYTLNPJGHXHWLZ-UHFFFAOYSA-N 0 0 304.350 0.720 50 0 DCAARN Cc1nn(C)c(N2CCOCC2)c1CNCc1ccnn1C ZINC000065563869 184366375 /nfs/dbraw/zinc/36/63/75/184366375.db2.gz NOVHFVQYDYKRND-UHFFFAOYSA-N 0 0 304.398 0.588 50 0 DCAARN COc1ccccc1CNC(=O)CN[C@H](C)c1nncn1C ZINC000065496034 184355056 /nfs/dbraw/zinc/35/50/56/184355056.db2.gz WLYIOTBGRGOASP-LLVKDONJSA-N 0 0 303.366 0.791 50 0 DCAARN Cc1cccc(C)c1-n1nnnc1CN1CC[C@H](C(N)=O)C1 ZINC000065516241 184357936 /nfs/dbraw/zinc/35/79/36/184357936.db2.gz FVLONOGLQVWCMY-LBPRGKRZSA-N 0 0 300.366 0.586 50 0 DCAARN C[C@H](c1ccccc1)n1nnnc1N1CCC(O)(CO)CC1 ZINC000067896413 184490784 /nfs/dbraw/zinc/49/07/84/184490784.db2.gz QUCXBQJLXJLZJI-GFCCVEGCSA-N 0 0 303.366 0.606 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000096005038 252591940 /nfs/dbraw/zinc/59/19/40/252591940.db2.gz SPNWPHDVEHUKNM-LLVKDONJSA-N 0 0 310.441 0.272 50 0 DCAARN O=C(CN1CCNC(=O)[C@@H]1c1cccs1)NC[C@H]1CCCO1 ZINC000333298867 252703111 /nfs/dbraw/zinc/70/31/11/252703111.db2.gz MBUNONNCZYAQKU-RISCZKNCSA-N 0 0 323.418 0.516 50 0 DCAARN CN(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000252444172 256611195 /nfs/dbraw/zinc/61/11/95/256611195.db2.gz INCWYQCYIUHLMF-SDDRHHMPSA-N 0 0 312.391 0.014 50 0 DCAARN COc1c[nH]c(C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1=O ZINC000524733241 257214043 /nfs/dbraw/zinc/21/40/43/257214043.db2.gz IWQLROZWZHEOOX-UHFFFAOYSA-N 0 0 315.285 0.967 50 0 DCAARN CCc1cnc(-c2ccc(C(=O)NC[C@@H](O)CO)cc2)nc1 ZINC000426739737 257243500 /nfs/dbraw/zinc/24/35/00/257243500.db2.gz KNDMKKMPCZXAKM-CQSZACIVSA-N 0 0 301.346 0.789 50 0 DCAARN O=C(NCCCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000426690208 257244108 /nfs/dbraw/zinc/24/41/08/257244108.db2.gz AZDGFNXMJGDUPF-VIFPVBQESA-N 0 0 305.787 0.478 50 0 DCAARN O=C([O-])Cn1nccc1[C@H]1CCC[N@H+](CCn2cnnc2)C1 ZINC000426647004 257245317 /nfs/dbraw/zinc/24/53/17/257245317.db2.gz GZOIGVWDPFWROG-LBPRGKRZSA-N 0 0 304.354 0.439 50 0 DCAARN COc1ncc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 ZINC000426599006 257246398 /nfs/dbraw/zinc/24/63/98/257246398.db2.gz RPZKZCQAFZSDOE-UHFFFAOYSA-N 0 0 318.377 0.960 50 0 DCAARN COC[C@@H]1CCCN1C(=O)NCCn1c(C)cc(C)nc1=O ZINC000426519261 257247805 /nfs/dbraw/zinc/24/78/05/257247805.db2.gz OHOFISUPDOUNHT-ZDUSSCGKSA-N 0 0 308.382 0.681 50 0 DCAARN COc1cc(C(=O)[O-])cc(C(=O)NC[C@H]2COCC[N@H+](C)C2)c1 ZINC000426523738 257247978 /nfs/dbraw/zinc/24/79/78/257247978.db2.gz VYTUZWMULCURNL-LLVKDONJSA-N 0 0 322.361 0.701 50 0 DCAARN CO[C@]12CCN(C(=O)c3cncnc3)[C@H]1C[C@@H](OCCO)CC2 ZINC000426503990 257248242 /nfs/dbraw/zinc/24/82/42/257248242.db2.gz LTOFIWKWAAWPGT-OFQRWUPVSA-N 0 0 321.377 0.638 50 0 DCAARN Cc1ccn2c(F)c(C(=O)NCCc3ncnn3C)nc2c1 ZINC000426493035 257248674 /nfs/dbraw/zinc/24/86/74/257248674.db2.gz AWSAQYKPJANKDL-UHFFFAOYSA-N 0 0 302.313 0.883 50 0 DCAARN CN(CCNC(=O)c1cccc(-c2c[nH]cn2)c1)S(C)(=O)=O ZINC000426434548 257250035 /nfs/dbraw/zinc/25/00/35/257250035.db2.gz UTNXSXIQINHUQU-UHFFFAOYSA-N 0 0 322.390 0.698 50 0 DCAARN CS(=O)(=O)NCCC(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000426420575 257250506 /nfs/dbraw/zinc/25/05/06/257250506.db2.gz JPSVLAWFBPLDHM-ZDUSSCGKSA-N 0 0 312.391 0.606 50 0 DCAARN CCc1c(C)nn(CCNC(=O)[C@@H]2CCC(=O)NC(=O)N2)c1C ZINC000426420860 257251525 /nfs/dbraw/zinc/25/15/25/257251525.db2.gz XXOFSBGSLUDAFY-LBPRGKRZSA-N 0 0 321.381 0.167 50 0 DCAARN CO[C@@H]1[C@H](C)[C@@H](NC(=O)N[C@H]2CCS(=O)(=O)C2)C1(C)C ZINC000252512611 257258155 /nfs/dbraw/zinc/25/81/55/257258155.db2.gz SYYGWYVTIAKZIS-LMLFDSFASA-N 0 0 304.412 0.532 50 0 DCAARN C[C@@H]1CCc2sc(C(=O)N3C[C@H](O)C[C@H]3C(N)=O)cc2C1 ZINC000252477528 257258819 /nfs/dbraw/zinc/25/88/19/257258819.db2.gz QAIWWQKQSUDIKB-IEBDPFPHSA-N 0 0 308.403 0.934 50 0 DCAARN Cc1sc2[nH]c(CCC(=O)N(C)CC(N)=O)nc(=O)c2c1C ZINC000071828066 184857519 /nfs/dbraw/zinc/85/75/19/184857519.db2.gz ZATJUBCQOWHDFV-UHFFFAOYSA-N 0 0 322.390 0.478 50 0 DCAARN COC(=O)[C@H]1c2ccsc2CCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC000090608636 291963126 /nfs/dbraw/zinc/96/31/26/291963126.db2.gz DWRPOCQSRLDXIZ-TVQRCGJNSA-N 0 0 322.386 0.825 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1cccc(F)c1F ZINC000285101771 131138640 /nfs/dbraw/zinc/13/86/40/131138640.db2.gz QQDHKKGGJZLJNS-SVRRBLITSA-N 0 0 308.281 0.551 50 0 DCAARN CC(C)CCn1ccc(NC(=O)[C@H](C)NS(C)(=O)=O)n1 ZINC000122524897 132165664 /nfs/dbraw/zinc/16/56/64/132165664.db2.gz FRZRVMXAQVUTPE-JTQLQIEISA-N 0 0 302.400 0.805 50 0 DCAARN Nc1cc(=O)[nH]c2nnc(SCC(=O)Nc3nccs3)n21 ZINC000008834368 395684971 /nfs/dbraw/zinc/68/49/71/395684971.db2.gz MAHJZDQMIMLWNM-UHFFFAOYSA-N 0 0 323.363 0.599 50 0 DCAARN CN(C)S(=O)(=O)NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000009036294 395685014 /nfs/dbraw/zinc/68/50/14/395685014.db2.gz NURQUJFRFKCGQU-JTQLQIEISA-N 0 0 315.370 0.575 50 0 DCAARN NC(=O)[C@@H]1CCCN1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000008883363 395685025 /nfs/dbraw/zinc/68/50/25/395685025.db2.gz KMBUJZRIFNNGCE-LBPRGKRZSA-N 0 0 319.361 0.736 50 0 DCAARN O=c1c2ccccc2ncn1CCS(=O)(=O)N1CCCC1 ZINC000008923487 395685066 /nfs/dbraw/zinc/68/50/66/395685066.db2.gz OCRNTSSBKMZOLM-UHFFFAOYSA-N 0 0 307.375 0.822 50 0 DCAARN COc1ccc([C@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1OC ZINC000009011844 395685074 /nfs/dbraw/zinc/68/50/74/395685074.db2.gz DKYOIAYZZLMQRA-MRVPVSSYSA-N 0 0 316.317 0.843 50 0 DCAARN CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)n2cncn2)cc1 ZINC000008844810 395685097 /nfs/dbraw/zinc/68/50/97/395685097.db2.gz ATAPZFBSMIXUFC-SNVBAGLBSA-N 0 0 323.378 0.776 50 0 DCAARN COc1cc(C(C)=O)ccc1OCC(=O)NCC(=O)NC(C)C ZINC000009256198 395685124 /nfs/dbraw/zinc/68/51/24/395685124.db2.gz MMZFCQGXFRVUSK-UHFFFAOYSA-N 0 0 322.361 0.917 50 0 DCAARN O=C1CC(=O)N2C(c3ccccc3)=CS[C@]2(OCCO)N1 ZINC000009190209 395685176 /nfs/dbraw/zinc/68/51/76/395685176.db2.gz CLDMSDYCZIFLEN-CQSZACIVSA-N 0 0 306.343 0.701 50 0 DCAARN O=C(CCn1nnc2ccccc2c1=O)NCc1cccnc1 ZINC000009061061 395685199 /nfs/dbraw/zinc/68/51/99/395685199.db2.gz AUOXEXNTOKSNEJ-UHFFFAOYSA-N 0 0 309.329 0.893 50 0 DCAARN COCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C ZINC000010026461 395685766 /nfs/dbraw/zinc/68/57/66/395685766.db2.gz SGMDNLFMADOYCA-UHFFFAOYSA-N 0 0 300.380 0.622 50 0 DCAARN COC(=O)CNC(=O)c1cn(Cc2ccccc2Cl)nn1 ZINC000011934147 395686920 /nfs/dbraw/zinc/68/69/20/395686920.db2.gz VYGHQPSNSUHUKH-UHFFFAOYSA-N 0 0 308.725 0.883 50 0 DCAARN O=C(c1ccc(N2C(=O)CCS2(=O)=O)cc1)N1CCOCC1 ZINC000011996815 395686922 /nfs/dbraw/zinc/68/69/22/395686922.db2.gz XJIFHHLKDDEGQX-UHFFFAOYSA-N 0 0 324.358 0.226 50 0 DCAARN CCS(=O)(=O)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000011944246 395687007 /nfs/dbraw/zinc/68/70/07/395687007.db2.gz MWYJZHKESKWQMP-ZDUSSCGKSA-N 0 0 314.382 0.908 50 0 DCAARN Cn1nc(C(=O)N[C@H]2CC(=O)N(CC(C)(C)C)C2)ccc1=O ZINC000012298522 395687341 /nfs/dbraw/zinc/68/73/41/395687341.db2.gz QQAAWNCJJBEMOP-JTQLQIEISA-N 0 0 306.366 0.157 50 0 DCAARN C[C@]1(NC(=O)CN2CCc3ccccc32)CCS(=O)(=O)C1 ZINC000012533738 395687739 /nfs/dbraw/zinc/68/77/39/395687739.db2.gz LJVUXCYECUCPAK-HNNXBMFYSA-N 0 0 308.403 0.743 50 0 DCAARN O[C@H]1CCCN(c2nc3nonc3nc2N2CCSCC2)C1 ZINC000012459588 395687800 /nfs/dbraw/zinc/68/78/00/395687800.db2.gz FPQIIEUOTILAEK-VIFPVBQESA-N 0 0 322.394 0.527 50 0 DCAARN CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)N1CCNC1=O ZINC000013039195 395688386 /nfs/dbraw/zinc/68/83/86/395688386.db2.gz PUOQQQFHGPWTKW-UHFFFAOYSA-N 0 0 324.768 0.762 50 0 DCAARN Cc1ccc(C)c(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000013581991 395688745 /nfs/dbraw/zinc/68/87/45/395688745.db2.gz NSEHQKKJDGFGGJ-UHFFFAOYSA-N 0 0 309.347 0.789 50 0 DCAARN Cc1nc2[nH]cnn2c(=O)c1CCC(=O)NCCc1c[nH]cn1 ZINC000013654552 395688833 /nfs/dbraw/zinc/68/88/33/395688833.db2.gz TVTNKXLNDJEWRV-UHFFFAOYSA-N 0 0 315.337 0.153 50 0 DCAARN NC(=O)[C@@H]1CCCN(C(=S)NCc2ccc3c(c2)OCO3)C1 ZINC000013685122 395688870 /nfs/dbraw/zinc/68/88/70/395688870.db2.gz IOAVDEHWJRUWNX-LLVKDONJSA-N 0 0 321.402 0.987 50 0 DCAARN Cc1ccc(-n2ncc3c2c(=O)n(CC(N)=O)nc3C)c(C)c1 ZINC000013970979 395688900 /nfs/dbraw/zinc/68/89/00/395688900.db2.gz NENXSIGROHWWLT-UHFFFAOYSA-N 0 0 311.345 0.993 50 0 DCAARN Nc1c(C(=O)COC(=O)c2ccoc2)c(=O)[nH]c(=O)n1C1CC1 ZINC000014134818 395689171 /nfs/dbraw/zinc/68/91/71/395689171.db2.gz WRFYOSDEHBSYKY-UHFFFAOYSA-N 0 0 319.273 0.086 50 0 DCAARN CC1CCC(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000014185567 395689301 /nfs/dbraw/zinc/68/93/01/395689301.db2.gz JGGLEFSHABYPRL-RMKNXTFCSA-N 0 0 305.378 0.792 50 0 DCAARN Cn1nnnc1-c1cccc(NC(=O)C2=NN(C)C(=O)CC2)c1 ZINC000014518909 395689416 /nfs/dbraw/zinc/68/94/16/395689416.db2.gz NINQZFOZNULWEZ-UHFFFAOYSA-N 0 0 313.321 0.424 50 0 DCAARN Cc1ccc(CN2CCN3C(=O)[C@H](C)N(C)C(=O)[C@H]3C2)cc1 ZINC000014536671 395689494 /nfs/dbraw/zinc/68/94/94/395689494.db2.gz QGGGMBHCGCKIBH-DZGCQCFKSA-N 0 0 301.390 0.868 50 0 DCAARN OCCNc1nc(N2CCN(CCO)CC2)nc2ccccc21 ZINC000016319859 395690404 /nfs/dbraw/zinc/69/04/04/395690404.db2.gz BLWJJAVRCZSNIW-UHFFFAOYSA-N 0 0 317.393 0.148 50 0 DCAARN O=C(CN1CCN(c2ccccc2O)CC1)N1CCOCC1 ZINC000016481421 395690562 /nfs/dbraw/zinc/69/05/62/395690562.db2.gz UVBKOYQCUGELMJ-UHFFFAOYSA-N 0 0 305.378 0.373 50 0 DCAARN CNC1=C(C(=O)N2CCOCC2)S(=O)(=O)c2ccccc21 ZINC000020220260 395691166 /nfs/dbraw/zinc/69/11/66/395691166.db2.gz HKKDQNSTTHOOQX-UHFFFAOYSA-N 0 0 308.359 0.221 50 0 DCAARN COCCNC(=O)[C@H]1CCCN(c2ncnc3onc(C)c32)C1 ZINC000020579428 395691361 /nfs/dbraw/zinc/69/13/61/395691361.db2.gz QQVYYBMSLFSJST-NSHDSACASA-N 0 0 319.365 0.905 50 0 DCAARN C[C@H]1C[C@@H]1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000023462331 395692417 /nfs/dbraw/zinc/69/24/17/395692417.db2.gz XKDJWXHCVZJHOG-QWRGUYRKSA-N 0 0 300.366 0.668 50 0 DCAARN NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000000103473 395679812 /nfs/dbraw/zinc/67/98/12/395679812.db2.gz XCSTXQAYWUDXGP-UHFFFAOYSA-N 0 0 304.755 0.460 50 0 DCAARN COc1ccc(CCNC(=O)[C@@H]2CCCNC2=O)cc1OC ZINC000000192357 395680010 /nfs/dbraw/zinc/68/00/10/395680010.db2.gz FUKPEBXJUWRWPV-GFCCVEGCSA-N 0 0 306.362 0.889 50 0 DCAARN Cn1c2[nH]c(=O)n(Cc3ccccc3F)c2c(=O)n(C)c1=O ZINC000000209474 395680056 /nfs/dbraw/zinc/68/00/56/395680056.db2.gz RDRANYPHRBGLCV-UHFFFAOYSA-N 0 0 304.281 0.327 50 0 DCAARN O=C([O-])[C@@H](CC(=O)Nc1cccc(O)c1)[NH2+]C[C@H]1CCCO1 ZINC000000352274 395680279 /nfs/dbraw/zinc/68/02/79/395680279.db2.gz WBCNTXYDQOVPSX-CHWSQXEVSA-N 0 0 308.334 0.943 50 0 DCAARN CCNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000000469843 395680446 /nfs/dbraw/zinc/68/04/46/395680446.db2.gz WERAPKOILAWRDR-UHFFFAOYSA-N 0 0 300.380 0.888 50 0 DCAARN C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000002502847 395681596 /nfs/dbraw/zinc/68/15/96/395681596.db2.gz ZITRQXTWNABIBL-MWLCHTKSSA-N 0 0 301.339 0.896 50 0 DCAARN COC(=O)c1ccn(CSc2nnc(C(F)F)n2N)n1 ZINC000002554080 395681604 /nfs/dbraw/zinc/68/16/04/395681604.db2.gz YABKWAWBXJVBHE-UHFFFAOYSA-N 0 0 304.282 0.662 50 0 DCAARN Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc(O)cc1 ZINC000002635898 395681716 /nfs/dbraw/zinc/68/17/16/395681716.db2.gz YMPJKMATNWBQLT-UHFFFAOYSA-N 0 0 302.286 0.844 50 0 DCAARN c1nc(-c2nonc2NCNc2nonc2-c2ncon2)no1 ZINC000002848990 395682001 /nfs/dbraw/zinc/68/20/01/395682001.db2.gz QWEJDUAAWPGXEK-UHFFFAOYSA-N 0 0 318.213 0.034 50 0 DCAARN COc1cc(C(=O)OCC(=O)NC2CC2)cc2c1OCCO2 ZINC000007939077 395683727 /nfs/dbraw/zinc/68/37/27/395683727.db2.gz CTISRTPXSMHDHN-UHFFFAOYSA-N 0 0 307.302 0.902 50 0 DCAARN CN(C)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000029925790 395701021 /nfs/dbraw/zinc/70/10/21/395701021.db2.gz AHNVLSSWQUQFMR-UHFFFAOYSA-N 0 0 315.381 0.462 50 0 DCAARN CCOCC(=O)NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O ZINC000085467655 395701020 /nfs/dbraw/zinc/70/10/20/395701020.db2.gz GRZSKNKWIFWAKW-CQSZACIVSA-N 0 0 323.368 0.915 50 0 DCAARN C[C@H](O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000085467234 395701273 /nfs/dbraw/zinc/70/12/73/395701273.db2.gz PZALTGQDDTXITF-JTQLQIEISA-N 0 0 320.361 0.652 50 0 DCAARN COc1nn(C)cc1C(=O)NC[C@@H](O)c1ccc2c(c1)CCO2 ZINC000085558960 395701672 /nfs/dbraw/zinc/70/16/72/395701672.db2.gz ROORFXMMGKGWQR-CYBMUJFWSA-N 0 0 317.345 0.827 50 0 DCAARN CN(C)c1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cn1 ZINC000030571613 395702864 /nfs/dbraw/zinc/70/28/64/395702864.db2.gz GPRMRHISGWMJDA-NSHDSACASA-N 0 0 312.395 0.510 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cn2ccccc2n1 ZINC000030564220 395703029 /nfs/dbraw/zinc/70/30/29/395703029.db2.gz JPBKSCCJWKFXAU-LBPRGKRZSA-N 0 0 322.390 0.375 50 0 DCAARN CN(CC(=O)N1CCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000031085296 395705258 /nfs/dbraw/zinc/70/52/58/395705258.db2.gz HVVJCWQGAKFQCM-UHFFFAOYSA-N 0 0 300.362 0.977 50 0 DCAARN CCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CC3)cc(C3CC3)nc21 ZINC000032059699 395709046 /nfs/dbraw/zinc/70/90/46/395709046.db2.gz NXCXULQRDYFXAS-UHFFFAOYSA-N 0 0 314.345 0.874 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)CCCn3cccn3)CCO2)[nH]1 ZINC000089289733 395709288 /nfs/dbraw/zinc/70/92/88/395709288.db2.gz IQOFHJBAEQBRGY-GFCCVEGCSA-N 0 0 318.381 0.944 50 0 DCAARN CC(C)NC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000032097262 395709350 /nfs/dbraw/zinc/70/93/50/395709350.db2.gz YXIFHTGTEVBIPS-GFCCVEGCSA-N 0 0 303.362 0.680 50 0 DCAARN CN(C[C@H]1CN(CCn2cccn2)CCO1)c1cccnn1 ZINC000089340296 395709795 /nfs/dbraw/zinc/70/97/95/395709795.db2.gz DCXSISBECPPKQS-AWEZNQCLSA-N 0 0 302.382 0.510 50 0 DCAARN CC(C)N1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000032578960 395711394 /nfs/dbraw/zinc/71/13/94/395711394.db2.gz WGKGQMQBHAGKHJ-UHFFFAOYSA-N 0 0 310.379 0.938 50 0 DCAARN CCCc1cc(=O)[nH]c(SCC(=O)N2CCN(C)CC2)n1 ZINC000032521366 395711586 /nfs/dbraw/zinc/71/15/86/395711586.db2.gz BLTUQILIRKQYQU-UHFFFAOYSA-N 0 0 310.423 0.589 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)OC(=O)C2=NN(C)C(=O)CC2)no1 ZINC000032623331 395711669 /nfs/dbraw/zinc/71/16/69/395711669.db2.gz NWTROAHUALTDPV-QMMMGPOBSA-N 0 0 308.294 0.461 50 0 DCAARN COc1ccc(OC)c([C@H](O)CNC(=O)NCc2cc[nH]n2)c1 ZINC000089432538 395711837 /nfs/dbraw/zinc/71/18/37/395711837.db2.gz ZSLAURBMKZAXRU-CYBMUJFWSA-N 0 0 320.349 0.960 50 0 DCAARN C[C@H](Cn1cc(Cl)cn1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000032648214 395711931 /nfs/dbraw/zinc/71/19/31/395711931.db2.gz HDESSUVVRQEBFX-SCZZXKLOSA-N 0 0 305.787 0.476 50 0 DCAARN Cc1ccc(CN(C)C(=O)C2CCN(S(N)(=O)=O)CC2)o1 ZINC000032681385 395712286 /nfs/dbraw/zinc/71/22/86/395712286.db2.gz HLLMNUCLPIDJJB-UHFFFAOYSA-N 0 0 315.395 0.462 50 0 DCAARN C[C@H]1C[C@@H](OC(=O)c2cccc(NS(C)(=O)=O)c2)C(=O)O1 ZINC000032736393 395712625 /nfs/dbraw/zinc/71/26/25/395712625.db2.gz JGAJWDZBQGHALH-GZMMTYOYSA-N 0 0 313.331 0.919 50 0 DCAARN O=C(Cn1ncc2ccccc2c1=O)NCc1nnc2n1CCC2 ZINC000032769297 395713392 /nfs/dbraw/zinc/71/33/92/395713392.db2.gz OLLXKJFNUZEKCR-UHFFFAOYSA-N 0 0 324.344 0.251 50 0 DCAARN COC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000032795764 395713590 /nfs/dbraw/zinc/71/35/90/395713590.db2.gz ILSXJYKYZCTQTI-ZDUSSCGKSA-N 0 0 316.357 0.817 50 0 DCAARN C[C@@H](C(=O)NC(N)=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000032804167 395713645 /nfs/dbraw/zinc/71/36/45/395713645.db2.gz FDVZZDSNZCGECW-JTQLQIEISA-N 0 0 318.377 0.594 50 0 DCAARN CCn1c(SCC(=O)NCCOC)nc2ncccc2c1=O ZINC000032885482 395714080 /nfs/dbraw/zinc/71/40/80/395714080.db2.gz AVBZRDZNBLDYSV-UHFFFAOYSA-N 0 0 322.390 0.666 50 0 DCAARN COC(=O)c1cccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032912395 395714253 /nfs/dbraw/zinc/71/42/53/395714253.db2.gz OUARLAIHPNFTGS-PWSUYJOCSA-N 0 0 309.343 0.623 50 0 DCAARN NC(=O)CC1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC000089764846 395714810 /nfs/dbraw/zinc/71/48/10/395714810.db2.gz OGBOLOPZJRIKML-UHFFFAOYSA-N 0 0 303.362 0.591 50 0 DCAARN O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCOCC1 ZINC000089834785 395715829 /nfs/dbraw/zinc/71/58/29/395715829.db2.gz VNKVSVISIMWIRI-CQSZACIVSA-N 0 0 304.346 0.273 50 0 DCAARN C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1nnc2n1CCCCC2 ZINC000089913876 395716555 /nfs/dbraw/zinc/71/65/55/395716555.db2.gz QSPLIAFZEFRXOK-GHMZBOCLSA-N 0 0 305.382 0.660 50 0 DCAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000033162624 395716619 /nfs/dbraw/zinc/71/66/19/395716619.db2.gz VJRXKTCSWKCTKI-NSHDSACASA-N 0 0 319.336 0.906 50 0 DCAARN CNC(=O)c1nnsc1N1CCN(c2ccccn2)CC1 ZINC000033435885 395717064 /nfs/dbraw/zinc/71/70/64/395717064.db2.gz CJNLENZFRRKCJB-UHFFFAOYSA-N 0 0 304.379 0.619 50 0 DCAARN CN1c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2OCC1=O ZINC000035377350 395720392 /nfs/dbraw/zinc/72/03/92/395720392.db2.gz NFBZQCSXTGXALF-UHFFFAOYSA-N 0 0 317.345 0.379 50 0 DCAARN Cc1cccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCCO)C3)c1 ZINC000035590238 395720713 /nfs/dbraw/zinc/72/07/13/395720713.db2.gz KEMNPGRIOAFXKL-AWEZNQCLSA-N 0 0 301.346 0.828 50 0 DCAARN Cc1ccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)cn1 ZINC000036834701 395724659 /nfs/dbraw/zinc/72/46/59/395724659.db2.gz QXAKACBOTKMLDK-UHFFFAOYSA-N 0 0 305.359 0.967 50 0 DCAARN CCOC(=O)CS(=O)(=O)CC(=O)Nc1ccc(F)cc1 ZINC000036108764 395722510 /nfs/dbraw/zinc/72/25/10/395722510.db2.gz NSDBWHUMKAEKSU-UHFFFAOYSA-N 0 0 303.311 0.742 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCN(C)CC2)c(OC)c1 ZINC000036386339 395723435 /nfs/dbraw/zinc/72/34/35/395723435.db2.gz IFCOIFPLVRBJIL-UHFFFAOYSA-N 0 0 300.380 0.640 50 0 DCAARN C[C@H](C(=O)NCc1ccc(N2CCOCC2)nc1)n1cncn1 ZINC000027585466 395695351 /nfs/dbraw/zinc/69/53/51/395695351.db2.gz BPLUSLPEJASNAS-GFCCVEGCSA-N 0 0 316.365 0.387 50 0 DCAARN CNC(=O)c1cccc(CNS(=O)(=O)N2CCCCC2)c1 ZINC000028321444 395695930 /nfs/dbraw/zinc/69/59/30/395695930.db2.gz NPEZSIKXRXWGNN-UHFFFAOYSA-N 0 0 311.407 0.867 50 0 DCAARN Cc1cc(C)n(CCNC(=O)c2cnc3sccn3c2=O)n1 ZINC000028573862 395696063 /nfs/dbraw/zinc/69/60/63/395696063.db2.gz HDAPDIGDXYZPSQ-UHFFFAOYSA-N 0 0 317.374 0.999 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 ZINC000029198743 395697038 /nfs/dbraw/zinc/69/70/38/395697038.db2.gz SCYBGRJCDVCAOM-JTQLQIEISA-N 0 0 313.379 0.706 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCO3)C1 ZINC000029204730 395697048 /nfs/dbraw/zinc/69/70/48/395697048.db2.gz CDLVRSVYNTUXKM-CYBMUJFWSA-N 0 0 324.402 0.775 50 0 DCAARN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCCCC1 ZINC000029166354 395697163 /nfs/dbraw/zinc/69/71/63/395697163.db2.gz RGPXCDMPGNZDSZ-LBPRGKRZSA-N 0 0 302.440 0.944 50 0 DCAARN C[C@@H]1CCCN(C(=O)CCn2cnc3c(cnn3C)c2=O)C1 ZINC000029510472 395698667 /nfs/dbraw/zinc/69/86/67/395698667.db2.gz XHQYXPMPSJYONZ-LLVKDONJSA-N 0 0 303.366 0.779 50 0 DCAARN O=C(CCc1cccs1)N1CCC2(CC1)NC(=O)NC2=O ZINC000029656239 395699093 /nfs/dbraw/zinc/69/90/93/395699093.db2.gz IBZZPTUJUXKEIH-UHFFFAOYSA-N 0 0 307.375 0.881 50 0 DCAARN C[C@@H]1C[C@H](C)CN(C(=O)c2n[nH]c3c2CS(=O)(=O)CC3)C1 ZINC000041120887 395735748 /nfs/dbraw/zinc/73/57/48/395735748.db2.gz PKFGNPFVSXYWTI-AOOOYVTPSA-N 0 0 311.407 0.999 50 0 DCAARN CN1CCN(C(=O)COCc2nc(-c3cccnc3)no2)CC1 ZINC000096182092 395747096 /nfs/dbraw/zinc/74/70/96/395747096.db2.gz WMRFUZQSGVCOPC-UHFFFAOYSA-N 0 0 317.349 0.422 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@]1(C)CC(c2ccccc2F)=NO1 ZINC000096192481 395748353 /nfs/dbraw/zinc/74/83/53/395748353.db2.gz XSZLFZSYOFSECL-HNNXBMFYSA-N 0 0 307.325 0.913 50 0 DCAARN Cn1nccc1C(=O)NCCC(=O)NCc1ccc(F)cc1 ZINC000096192400 395748462 /nfs/dbraw/zinc/74/84/62/395748462.db2.gz DCGLEAGLQWXGCI-UHFFFAOYSA-N 0 0 304.325 0.996 50 0 DCAARN CC(C)OC(=O)CCNC(=O)c1cccnc1N1CCOCC1 ZINC000042000144 395740952 /nfs/dbraw/zinc/74/09/52/395740952.db2.gz OVUBRSKSMQFBGJ-UHFFFAOYSA-N 0 0 321.377 0.990 50 0 DCAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(-n2cncn2)nn1 ZINC000096097814 395744240 /nfs/dbraw/zinc/74/42/40/395744240.db2.gz MKKRYEQQQPNZAH-UHFFFAOYSA-N 0 0 324.300 0.716 50 0 DCAARN COc1cccc(N([C@@H](C)C(=O)N(C)C)S(C)(=O)=O)c1 ZINC000096125632 395745564 /nfs/dbraw/zinc/74/55/64/395745564.db2.gz LBMXCRSTEXYPEQ-JTQLQIEISA-N 0 0 300.380 0.938 50 0 DCAARN O=C(Nc1cc(F)c(F)c(F)c1)N1CCNC(=O)[C@@H]1CCO ZINC000096130632 395745834 /nfs/dbraw/zinc/74/58/34/395745834.db2.gz LLRXDXIQZCROCR-JTQLQIEISA-N 0 0 317.267 0.819 50 0 DCAARN C[C@H]1CN(C(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)CCO1 ZINC000096142815 395746166 /nfs/dbraw/zinc/74/61/66/395746166.db2.gz IGDYNPCAJBQBTM-WFASDCNBSA-N 0 0 317.389 0.146 50 0 DCAARN Cc1ncsc1CCOC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000096404071 395752805 /nfs/dbraw/zinc/75/28/05/395752805.db2.gz RMKORBPBDXOHKK-UHFFFAOYSA-N 0 0 323.378 0.531 50 0 DCAARN CCCC(=O)N1CCN(c2nc3cccnc3n(C)c2=O)CC1 ZINC000096333048 395752820 /nfs/dbraw/zinc/75/28/20/395752820.db2.gz UQYJJDLZKJQGBZ-UHFFFAOYSA-N 0 0 315.377 0.777 50 0 DCAARN O=C(Cn1nc2c(cc1=O)CCCC2)NCC1CCOCC1 ZINC000096344366 395752870 /nfs/dbraw/zinc/75/28/70/395752870.db2.gz RKUBIKJMEIMSRS-UHFFFAOYSA-N 0 0 305.378 0.665 50 0 DCAARN O=C(CNC(=O)C(F)(F)C1(O)CCC1)NCc1ccccc1 ZINC000096486452 395753809 /nfs/dbraw/zinc/75/38/09/395753809.db2.gz BOCVWSYESMXFHN-UHFFFAOYSA-N 0 0 312.316 0.969 50 0 DCAARN C[C@@]1(NC(=O)CN2CCOc3ccccc32)CCS(=O)(=O)C1 ZINC000043783308 395754728 /nfs/dbraw/zinc/75/47/28/395754728.db2.gz GCEIKSPBQLLFFF-OAHLLOKOSA-N 0 0 324.402 0.579 50 0 DCAARN CCc1nnsc1C(=O)N[C@@H]1CCc2nnc(CC)n2C1 ZINC000097198161 395755628 /nfs/dbraw/zinc/75/56/28/395755628.db2.gz PKSAJSPTFLSLIK-MRVPVSSYSA-N 0 0 306.395 0.999 50 0 DCAARN O=C(NCCNc1cccnc1)[C@H]1Cc2ccccc2C(=O)N1 ZINC000097217347 395756011 /nfs/dbraw/zinc/75/60/11/395756011.db2.gz LCHDSYPEPSASBX-OAHLLOKOSA-N 0 0 310.357 0.964 50 0 DCAARN COc1ccccc1/C=C\C(=O)N1CCCN(CC(N)=O)CC1 ZINC000097299790 395756872 /nfs/dbraw/zinc/75/68/72/395756872.db2.gz MTFKTTXTEVMTGK-FPLPWBNLSA-N 0 0 317.389 0.728 50 0 DCAARN O=C(NC[C@@H]1CCCO1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000042867958 395749622 /nfs/dbraw/zinc/74/96/22/395749622.db2.gz DWBSVUKFUDTVDV-OLZOCXBDSA-N 0 0 305.382 0.924 50 0 DCAARN C[C@@H]1C[N@H+](C)C[C@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000107058930 395784855 /nfs/dbraw/zinc/78/48/55/395784855.db2.gz XDESDXJMZMBZCT-QMTHXVAHSA-N 0 0 323.418 0.201 50 0 DCAARN O=C(NCCS(=O)(=O)Cc1ccccc1)N1CCOCC1 ZINC000047071280 395786914 /nfs/dbraw/zinc/78/69/14/395786914.db2.gz XBBRMFVXTCNWPW-UHFFFAOYSA-N 0 0 312.391 0.643 50 0 DCAARN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)nc1)S(C)(=O)=O ZINC000044936311 395759829 /nfs/dbraw/zinc/75/98/29/395759829.db2.gz LOFXCUQONJEBNL-JTQLQIEISA-N 0 0 313.379 0.290 50 0 DCAARN CCN(CC)c1ccc(NC(=O)C[C@@H]2NC(=O)NC2=O)cn1 ZINC000097915057 395760928 /nfs/dbraw/zinc/76/09/28/395760928.db2.gz RJSMPPZPZXZTRV-JTQLQIEISA-N 0 0 305.338 0.464 50 0 DCAARN O=C(NCCCN1CCOCC1)c1cn2nc(Cl)ccc2n1 ZINC000097938903 395761296 /nfs/dbraw/zinc/76/12/96/395761296.db2.gz SMMCQTFZTVRJBO-UHFFFAOYSA-N 0 0 323.784 0.835 50 0 DCAARN CN(C)c1ncccc1CNC(=O)N[C@@H]1CCCCNC1=O ZINC000045668008 395765092 /nfs/dbraw/zinc/76/50/92/395765092.db2.gz XOJBFQBUHRODKR-GFCCVEGCSA-N 0 0 305.382 0.616 50 0 DCAARN COCCCNc1c(=O)c(=O)c1NCc1c(C)nn(C)c1C ZINC000101666727 395766182 /nfs/dbraw/zinc/76/61/82/395766182.db2.gz AHZOACRITANRKX-UHFFFAOYSA-N 0 0 306.366 0.693 50 0 DCAARN C[C@@H](CN1CCOCC1)NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000046035660 395769840 /nfs/dbraw/zinc/76/98/40/395769840.db2.gz QTOYWAZGNHJULI-OLZOCXBDSA-N 0 0 305.444 0.273 50 0 DCAARN NC(=O)C1(CNS(=O)(=O)Cc2ccccc2)CCOCC1 ZINC000048009671 395805706 /nfs/dbraw/zinc/80/57/06/395805706.db2.gz LVOYDSFRJROHFW-UHFFFAOYSA-N 0 0 312.391 0.388 50 0 DCAARN Cc1cc(C)nc(-c2cnn(CC(=O)Nc3cnn(C)n3)c2)n1 ZINC000048090887 395808021 /nfs/dbraw/zinc/80/80/21/395808021.db2.gz JOZCTEMWNRRVQV-UHFFFAOYSA-N 0 0 312.337 0.724 50 0 DCAARN Cc1cc(CN2CCN(C(=O)NC[C@@H]3CCCO3)CC2)on1 ZINC000048261809 395811665 /nfs/dbraw/zinc/81/16/65/395811665.db2.gz XIFKYABISKNKLV-ZDUSSCGKSA-N 0 0 308.382 0.989 50 0 DCAARN O=C(CCn1cncn1)N1CCN(Cc2ccncc2)CC1 ZINC000048290986 395812502 /nfs/dbraw/zinc/81/25/02/395812502.db2.gz JSRGUUHRJZLMIO-UHFFFAOYSA-N 0 0 300.366 0.408 50 0 DCAARN O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CCC(=O)NC1 ZINC000048325546 395813410 /nfs/dbraw/zinc/81/34/10/395813410.db2.gz VFKGEGMVDPNBPB-LLVKDONJSA-N 0 0 304.350 0.383 50 0 DCAARN C[C@H]1CCCCN1S(=O)(=O)N1CCC(CC(N)=O)CC1 ZINC000048670960 395822434 /nfs/dbraw/zinc/82/24/34/395822434.db2.gz KAIHTUXQCWXJTB-NSHDSACASA-N 0 0 303.428 0.693 50 0 DCAARN CCOc1ncccc1CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112742676 395824229 /nfs/dbraw/zinc/82/42/29/395824229.db2.gz LEZRKADHKNEXTC-LBPRGKRZSA-N 0 0 316.365 0.886 50 0 DCAARN COC[C@H](NC(=O)c1cc(C)cc(Br)c1)C(N)=O ZINC000195565657 395831608 /nfs/dbraw/zinc/83/16/08/395831608.db2.gz AWPTUKHICHXDEQ-JTQLQIEISA-N 0 0 315.167 0.988 50 0 DCAARN O=C(CN1C(=O)CCC1=O)Nc1nnc(-c2ccsc2)o1 ZINC000049449053 395831806 /nfs/dbraw/zinc/83/18/06/395831806.db2.gz JUTAKJGSBAMZGC-UHFFFAOYSA-N 0 0 306.303 0.886 50 0 DCAARN COCCn1c(=O)[nH]c2c(-c3ccccn3)nsc2c1=O ZINC000049410012 395832045 /nfs/dbraw/zinc/83/20/45/395832045.db2.gz MHHCUAIHKDKDIW-UHFFFAOYSA-N 0 0 304.331 0.855 50 0 DCAARN O=C(NCc1ccncc1)C(=O)Nc1cccc(-n2cnnc2)c1 ZINC000049547642 395832455 /nfs/dbraw/zinc/83/24/55/395832455.db2.gz AGRLUPBEFMFKGE-UHFFFAOYSA-N 0 0 322.328 0.917 50 0 DCAARN Cn1nnc(-c2ccc(NC(=O)C(=O)NCC3CC3)cc2)n1 ZINC000049546130 395832607 /nfs/dbraw/zinc/83/26/07/395832607.db2.gz WUDUDEAWDGUENB-UHFFFAOYSA-N 0 0 300.322 0.342 50 0 DCAARN COc1ccc(O[C@@H]2CCN(C(=O)Cn3cccn3)C2)nn1 ZINC000225437221 395859962 /nfs/dbraw/zinc/85/99/62/395859962.db2.gz HWKBMWBFQJGGDU-LLVKDONJSA-N 0 0 303.322 0.362 50 0 DCAARN COc1ccc(O[C@H]2CCN(C(=O)c3cnc(C)cn3)C2)nn1 ZINC000225439963 395860176 /nfs/dbraw/zinc/86/01/76/395860176.db2.gz SMCRZQHOJFWWDD-NSHDSACASA-N 0 0 315.333 0.877 50 0 DCAARN CCS(=O)(=O)N1CCN(C(=O)c2ccc(C)cc2O)CC1 ZINC000052152802 395860238 /nfs/dbraw/zinc/86/02/38/395860238.db2.gz ABEFEZRMNBXSJF-UHFFFAOYSA-N 0 0 312.391 0.808 50 0 DCAARN CCCNC(=O)CN1CCC[C@@H](CNS(=O)(=O)C(C)C)C1 ZINC000051101853 395844449 /nfs/dbraw/zinc/84/44/49/395844449.db2.gz ALIGHWHUHKQFJB-ZDUSSCGKSA-N 0 0 319.471 0.552 50 0 DCAARN Cc1ccc(CN(C)CC(=O)NCCc2noc(CO)n2)cc1 ZINC000219261414 395844564 /nfs/dbraw/zinc/84/45/64/395844564.db2.gz UMULEHZETKDPBA-UHFFFAOYSA-N 0 0 318.377 0.661 50 0 DCAARN O=C(NCCN1CCCOC1=O)c1nc2ccccc2c(=O)[nH]1 ZINC000219275359 395844845 /nfs/dbraw/zinc/84/48/45/395844845.db2.gz PHQDXBNVCAJOJL-UHFFFAOYSA-N 0 0 316.317 0.495 50 0 DCAARN Cn1nnnc1SCCNC(=O)CSc1ccncc1 ZINC000219316370 395845680 /nfs/dbraw/zinc/84/56/80/395845680.db2.gz CDHDLDHUTSDLKG-UHFFFAOYSA-N 0 0 310.408 0.606 50 0 DCAARN CCCS(=O)(=O)N1CC[C@@H](Oc2ccc(N(C)C)nn2)C1 ZINC000225449950 395860726 /nfs/dbraw/zinc/86/07/26/395860726.db2.gz WFIZDYYHRJCWOK-LLVKDONJSA-N 0 0 314.411 0.736 50 0 DCAARN C[C@@H]1[C@@H](c2ccccc2)[C@H](S(C)(=O)=O)S(=O)(=O)N1C ZINC000221275528 395850199 /nfs/dbraw/zinc/85/01/99/395850199.db2.gz WLWMGZMMFGOVCC-ADEWGFFLSA-N 0 0 303.405 0.805 50 0 DCAARN O=C(COCc1ccccc1)N1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000221373780 395850641 /nfs/dbraw/zinc/85/06/41/395850641.db2.gz WXHCJXCSHXPHDM-SYMSYNOKSA-N 0 0 305.374 0.793 50 0 DCAARN CC[C@H](C(=O)N1CCN(c2ncc[nH]c2=O)CC1)n1cccn1 ZINC000221326031 395850691 /nfs/dbraw/zinc/85/06/91/395850691.db2.gz RJOSNXBWJXMDQW-GFCCVEGCSA-N 0 0 316.365 0.266 50 0 DCAARN COC(=O)c1nnn(CC(=O)c2ccsc2)c1C(=O)OC ZINC000221637336 395851001 /nfs/dbraw/zinc/85/10/01/395851001.db2.gz MODRTTSJAXDORZ-UHFFFAOYSA-N 0 0 309.303 0.796 50 0 DCAARN CC(C)[C@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000222189326 395851874 /nfs/dbraw/zinc/85/18/74/395851874.db2.gz NBQLCJOOTSPXOS-FRRDWIJNSA-N 0 0 306.428 0.697 50 0 DCAARN O=C(CCCn1cncn1)N[C@@H]1COCC[C@@H]1OCC1CC1 ZINC000223008456 395853439 /nfs/dbraw/zinc/85/34/39/395853439.db2.gz ROVSQMLBWXSPCL-KGLIPLIRSA-N 0 0 308.382 0.759 50 0 DCAARN NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccc(Cl)o1 ZINC000223126815 395853960 /nfs/dbraw/zinc/85/39/60/395853960.db2.gz QURGGLYXFXOCSV-SFYZADRCSA-N 0 0 302.714 0.322 50 0 DCAARN Cc1cc(N)n(CC(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)n1 ZINC000223077123 395854041 /nfs/dbraw/zinc/85/40/41/395854041.db2.gz HDUYNUKWPNPFHI-MKBNYLNASA-N 0 0 315.377 0.797 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1cn[nH]c1 ZINC000223218679 395854427 /nfs/dbraw/zinc/85/44/27/395854427.db2.gz MMRXEWPNYAKZBB-ZIAGYGMSSA-N 0 0 302.334 0.909 50 0 DCAARN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CN1C(=O)CNC1=O ZINC000223644227 395856000 /nfs/dbraw/zinc/85/60/00/395856000.db2.gz MPYVFPZSWSYHGX-UHFFFAOYSA-N 0 0 307.354 0.217 50 0 DCAARN Cc1cc2cccnc2c(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)c1 ZINC000223739928 395856344 /nfs/dbraw/zinc/85/63/44/395856344.db2.gz YDEUZICUCWINAJ-CHWSQXEVSA-N 0 0 322.386 0.971 50 0 DCAARN CC[C@@H](CO)NC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000047601990 395796851 /nfs/dbraw/zinc/79/68/51/395796851.db2.gz KFLRTSUFNWJAPZ-NSHDSACASA-N 0 0 300.380 0.660 50 0 DCAARN NC(=O)[C@H](NC(=O)c1ccnc(-n2cncn2)c1)c1ccccc1 ZINC000053792510 395889109 /nfs/dbraw/zinc/88/91/09/395889109.db2.gz BDYPLRGLBSDBFW-CQSZACIVSA-N 0 0 322.328 0.619 50 0 DCAARN COC1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000053885615 395890347 /nfs/dbraw/zinc/89/03/47/395890347.db2.gz HAEXNWPQINBIKD-HNNXBMFYSA-N 0 0 309.366 0.344 50 0 DCAARN O=C(NCCCN1CCOCC1)c1ccnc(-n2cncn2)c1 ZINC000054705687 395904501 /nfs/dbraw/zinc/90/45/01/395904501.db2.gz DWXAQAJUGWWFKK-UHFFFAOYSA-N 0 0 316.365 0.114 50 0 DCAARN Cc1ccc2c(c1)nc(C)cc2C(=O)N[C@H](C(N)=O)[C@@H](C)O ZINC000055153516 395912181 /nfs/dbraw/zinc/91/21/81/395912181.db2.gz NJTIMPSNNUBLKX-YGRLFVJLSA-N 0 0 301.346 0.816 50 0 DCAARN Cc1noc(CN(C)CC(=O)Nc2ccc(C(N)=O)cc2)n1 ZINC000244858403 395925886 /nfs/dbraw/zinc/92/58/86/395925886.db2.gz VKNOZOYXWZFNBM-UHFFFAOYSA-N 0 0 303.322 0.547 50 0 DCAARN O=S(=O)(CCCOc1ccccc1)N1CC(n2ccnn2)C1 ZINC000225694791 395862320 /nfs/dbraw/zinc/86/23/20/395862320.db2.gz NPCNQKJPOUPRID-UHFFFAOYSA-N 0 0 322.390 0.934 50 0 DCAARN c1cc(N(C[C@H]2CCCO2)C[C@@H]2CCCO2)nn2nnnc12 ZINC000052314532 395862385 /nfs/dbraw/zinc/86/23/85/395862385.db2.gz YSXFBORGAOYMEV-TXEJJXNPSA-N 0 0 304.354 0.684 50 0 DCAARN CCS(=O)(=O)C1CN(S(=O)(=O)CCC(F)(F)F)C1 ZINC000225747678 395862857 /nfs/dbraw/zinc/86/28/57/395862857.db2.gz FPVRXPNKOGAJSW-UHFFFAOYSA-N 0 0 309.331 0.388 50 0 DCAARN CC(C)N1CCO[C@@H](C(=O)N2CCC(N3CCCC3=O)CC2)C1 ZINC000225706099 395863131 /nfs/dbraw/zinc/86/31/31/395863131.db2.gz OUZJBNZSJQNHDK-OAHLLOKOSA-N 0 0 323.437 0.709 50 0 DCAARN COc1nccnc1O[C@@H]1CCN(C(=O)Cn2cccc2)C1 ZINC000225808660 395863700 /nfs/dbraw/zinc/86/37/00/395863700.db2.gz XYZCGFFVNSUVCY-GFCCVEGCSA-N 0 0 302.334 0.967 50 0 DCAARN Cc1cn(-c2ccccc2)nc1OCC(=O)NCC(=O)N(C)C ZINC000226852107 395866951 /nfs/dbraw/zinc/86/69/51/395866951.db2.gz DZVYYBNKHZPJKX-UHFFFAOYSA-N 0 0 316.361 0.764 50 0 DCAARN COc1cccc([C@@H]2CCCN2C(=O)CN(C)CC(N)=O)c1 ZINC000052831851 395871410 /nfs/dbraw/zinc/87/14/10/395871410.db2.gz MOFYXQMHSRNYBF-AWEZNQCLSA-N 0 0 305.378 0.776 50 0 DCAARN O[C@@H](CN1CCO[C@@H](Cn2cncn2)C1)c1cccc(F)c1 ZINC000229499208 395874552 /nfs/dbraw/zinc/87/45/52/395874552.db2.gz LGJGNHDFNJZDTB-CABCVRRESA-N 0 0 306.341 0.852 50 0 DCAARN C[C@@](O)(CN1CCO[C@@H](Cn2cncn2)C1)c1ccccc1 ZINC000229499733 395874739 /nfs/dbraw/zinc/87/47/39/395874739.db2.gz DVDMNTXGLFFSEQ-HZPDHXFCSA-N 0 0 302.378 0.887 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCO[C@@H](Cn3cncn3)C2)no1 ZINC000229552480 395875386 /nfs/dbraw/zinc/87/53/86/395875386.db2.gz TXOIFWFVIJVBIU-NWDGAFQWSA-N 0 0 320.353 0.303 50 0 DCAARN CN1CCO[C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000230139974 395878899 /nfs/dbraw/zinc/87/88/99/395878899.db2.gz YVDKIVSJRIBDFL-ZFWWWQNUSA-N 0 0 317.389 0.486 50 0 DCAARN Cc1noc(C2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)n1 ZINC000053448426 395884204 /nfs/dbraw/zinc/88/42/04/395884204.db2.gz LHDSWRXJJPZJGH-UHFFFAOYSA-N 0 0 305.338 0.692 50 0 DCAARN Cc1cc(CN2CCN(C(=O)NC[C@@H]3CCCO3)CC2)no1 ZINC000053507178 395884777 /nfs/dbraw/zinc/88/47/77/395884777.db2.gz VNDJIERXWNTJTE-AWEZNQCLSA-N 0 0 308.382 0.989 50 0 DCAARN CC(C)c1nc(CN2C(=O)N[C@](C)(c3cnn(C)c3)C2=O)no1 ZINC000137581112 395950816 /nfs/dbraw/zinc/95/08/16/395950816.db2.gz UIOXMARNKQWWIK-CQSZACIVSA-N 0 0 318.337 0.894 50 0 DCAARN O=C(CN1CCC[C@@H](c2cc[nH]n2)C1)N[C@H]1CCCCNC1=O ZINC000247755204 395978668 /nfs/dbraw/zinc/97/86/68/395978668.db2.gz DAFYZEFSOHFOSH-OCCSQVGLSA-N 0 0 319.409 0.374 50 0 DCAARN O=C(CN1CCO[C@@H]2CCCC[C@H]21)N[C@H]1CCCCNC1=O ZINC000247801173 395978741 /nfs/dbraw/zinc/97/87/41/395978741.db2.gz VUOSXWINTURMRF-BFHYXJOUSA-N 0 0 309.410 0.415 50 0 DCAARN O=C(CCN1CCCCO1)NCc1n[nH]c(=O)c2ccccc12 ZINC000063845586 395983715 /nfs/dbraw/zinc/98/37/15/395983715.db2.gz XHIONDYPLBXCJB-UHFFFAOYSA-N 0 0 316.361 0.957 50 0 DCAARN Cc1cc(-c2cnn(CC(=O)Nc3ccnn3C)c2)nc(N)n1 ZINC000063870555 395983882 /nfs/dbraw/zinc/98/38/82/395983882.db2.gz YTDDNBFONYUXQE-UHFFFAOYSA-N 0 0 312.337 0.603 50 0 DCAARN CCOCCN1CCN(CC(=O)NCc2ccccn2)C[C@H]1C ZINC000248320383 395984595 /nfs/dbraw/zinc/98/45/95/395984595.db2.gz SBPIAFAETVKGNM-OAHLLOKOSA-N 0 0 320.437 0.740 50 0 DCAARN CCc1cc(=O)n(CC(=O)NCc2cccc(OC)c2)c(N)n1 ZINC000065310917 395992130 /nfs/dbraw/zinc/99/21/30/395992130.db2.gz HEULHTOXDWGXIJ-UHFFFAOYSA-N 0 0 316.361 0.713 50 0 DCAARN Cn1ncc(NC(=O)c2cccs2)c(N2CCOCC2)c1=O ZINC000065307203 395992319 /nfs/dbraw/zinc/99/23/19/395992319.db2.gz ZLKPLMIFNPDMDH-UHFFFAOYSA-N 0 0 320.374 0.931 50 0 DCAARN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccco1 ZINC000252674581 396023902 /nfs/dbraw/zinc/02/39/02/396023902.db2.gz SILQXJXIBFQIOJ-TUAOUCFPSA-N 0 0 312.391 0.923 50 0 DCAARN O=C1CC[C@H](CNS(=O)(=O)N2CCC[C@H]2c2ccco2)N1 ZINC000252669508 396024045 /nfs/dbraw/zinc/02/40/45/396024045.db2.gz HSJPSXLRBADZRG-MNOVXSKESA-N 0 0 313.379 0.530 50 0 DCAARN COc1cccc(C=c2sc3nc(=O)c(C)nn3c2=O)c1 ZINC000252680279 396024452 /nfs/dbraw/zinc/02/44/52/396024452.db2.gz YJJVBAWIPDBWQY-UHFFFAOYSA-N 0 0 301.327 0.376 50 0 DCAARN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1c[nH]c(C(=O)OC)c1 ZINC000253415718 396027808 /nfs/dbraw/zinc/02/78/08/396027808.db2.gz DIAKHINTERWGNU-SECBINFHSA-N 0 0 316.379 0.697 50 0 DCAARN CCc1ncnc(NC[C@H]2CCC[C@]23NC(=O)NC3=O)c1F ZINC000253416841 396027974 /nfs/dbraw/zinc/02/79/74/396027974.db2.gz BSXXINTZHYKKBG-CLAHSXSESA-N 0 0 307.329 0.968 50 0 DCAARN CCc1nc(CNC(=O)N2CCN3CCOC[C@@H]3C2)cs1 ZINC000253419344 396028113 /nfs/dbraw/zinc/02/81/13/396028113.db2.gz MOSJJCCUGGTCTK-LBPRGKRZSA-N 0 0 310.423 0.932 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)NCc2ncccn2)cc1 ZINC000253430696 396028657 /nfs/dbraw/zinc/02/86/57/396028657.db2.gz FPRLMRXDJLANQP-UHFFFAOYSA-N 0 0 306.347 0.315 50 0 DCAARN O=C(Cn1ncccc1=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000253473646 396029263 /nfs/dbraw/zinc/02/92/63/396029263.db2.gz WXGSZSNRBISKTB-ZDUSSCGKSA-N 0 0 300.318 0.318 50 0 DCAARN CNc1ccccc1C(=O)N1CCC2(CC1)C(=O)NCCN2C ZINC000067673849 396031264 /nfs/dbraw/zinc/03/12/64/396031264.db2.gz QSYFDAOHMQCYLJ-UHFFFAOYSA-N 0 0 316.405 0.765 50 0 DCAARN CC1=C(C(=O)NCCCc2csc(N)n2)[C@@H](C)NC(=O)N1 ZINC000067756052 396032526 /nfs/dbraw/zinc/03/25/26/396032526.db2.gz UHGSOKBCRZEWDW-SSDOTTSWSA-N 0 0 309.395 0.749 50 0 DCAARN Cn1ccnc1[C@@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C1CC1 ZINC000067880373 396038333 /nfs/dbraw/zinc/03/83/33/396038333.db2.gz CRPNJVZDICUMTH-NSHDSACASA-N 0 0 319.365 0.318 50 0 DCAARN O=C(c1ccc2c(c1)OCO2)N1Cc2cnn(CCO)c2C1 ZINC000067920610 396038538 /nfs/dbraw/zinc/03/85/38/396038538.db2.gz KNRZYKCKBPUIND-UHFFFAOYSA-N 0 0 301.302 0.760 50 0 DCAARN C[C@H]1c2cccn2CCN1C(=O)COc1ccc2nncn2n1 ZINC000067908033 396038920 /nfs/dbraw/zinc/03/89/20/396038920.db2.gz ITSRHOINUDDICQ-NSHDSACASA-N 0 0 312.333 0.908 50 0 DCAARN CCn1c(=O)[nH]nc1[C@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000067909357 396039031 /nfs/dbraw/zinc/03/90/31/396039031.db2.gz KGLVCHGQNZDFGF-VIFPVBQESA-N 0 0 314.353 0.642 50 0 DCAARN CCOC(=O)N1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000068049042 396043577 /nfs/dbraw/zinc/04/35/77/396043577.db2.gz ZBWAHTPERBCCLL-ZIAGYGMSSA-N 0 0 316.398 0.317 50 0 DCAARN CN1C(=O)C[C@@H](NS(N)(=O)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000156028116 396059916 /nfs/dbraw/zinc/05/99/16/396059916.db2.gz NBPFVRFEEPBXIU-KOLCDFICSA-N 0 0 303.771 0.405 50 0 DCAARN COCc1ccc(C(=O)N2CCNC[C@H]2c2nccn2C)o1 ZINC000261779441 396065239 /nfs/dbraw/zinc/06/52/39/396065239.db2.gz SFZADXKQAMFGGR-LBPRGKRZSA-N 0 0 304.350 0.946 50 0 DCAARN COCCCNC(=O)CN(C)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000068957244 396066321 /nfs/dbraw/zinc/06/63/21/396066321.db2.gz VJPOXLZMDPVCRD-NSHDSACASA-N 0 0 312.370 0.395 50 0 DCAARN COCCNS(=O)(=O)c1ccc2c(c1)O[C@H](C)C(=O)N2 ZINC000252485687 396020750 /nfs/dbraw/zinc/02/07/50/396020750.db2.gz HBRHSLGGBZUBRN-MRVPVSSYSA-N 0 0 300.336 0.331 50 0 DCAARN Cc1cc(CNC(=O)NC2(CO)CCCC2)nc(N(C)C)n1 ZINC000252502152 396021669 /nfs/dbraw/zinc/02/16/69/396021669.db2.gz UMZCOLPCZZMRED-UHFFFAOYSA-N 0 0 307.398 0.955 50 0 DCAARN COCCCNS(=O)(=O)c1ccc2c(c1)O[C@@H](C)C(=O)N2 ZINC000252496065 396021683 /nfs/dbraw/zinc/02/16/83/396021683.db2.gz PENBOYYJYXUOLF-VIFPVBQESA-N 0 0 314.363 0.721 50 0 DCAARN Cn1ccsc1=NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000252498035 396021920 /nfs/dbraw/zinc/02/19/20/396021920.db2.gz JNZDPPGMBKGSBB-UHFFFAOYSA-N 0 0 322.390 0.769 50 0 DCAARN C[C@H](O)CN1CCN(CC(=O)NCCc2ccc(F)cc2)CC1 ZINC000069652559 396085866 /nfs/dbraw/zinc/08/58/66/396085866.db2.gz WCAYJIJTGDHAET-AWEZNQCLSA-N 0 0 323.412 0.483 50 0 DCAARN O=C(/C=C/c1ccco1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1 ZINC000069667206 396085938 /nfs/dbraw/zinc/08/59/38/396085938.db2.gz LVIZBKQVMYUBEC-QAMKJQMISA-N 0 0 324.402 0.670 50 0 DCAARN Cc1nnc(NC(=O)CN2CCCC[C@H]2Cn2cncn2)s1 ZINC000069659282 396086153 /nfs/dbraw/zinc/08/61/53/396086153.db2.gz DOZLUHMVACNZDI-NSHDSACASA-N 0 0 321.410 0.931 50 0 DCAARN CCc1nc([C@H]2CCCN(S(=O)(=O)[C@@H]3CCOC3)C2)no1 ZINC000069703536 396087535 /nfs/dbraw/zinc/08/75/35/396087535.db2.gz KUHCNRVBHZPCTC-WDEREUQCSA-N 0 0 315.395 0.930 50 0 DCAARN O=C(Cn1cnc(NC(=O)[C@@H]2CCCO2)n1)N1CCCCCC1 ZINC000069703525 396087970 /nfs/dbraw/zinc/08/79/70/396087970.db2.gz WJLMCUYEWFJIHX-LBPRGKRZSA-N 0 0 321.381 0.798 50 0 DCAARN O=C(CNS(=O)(=O)C[C@H]1CCOC1)Nc1cccc(F)c1 ZINC000069739039 396088308 /nfs/dbraw/zinc/08/83/08/396088308.db2.gz AHQHRFQAINXDBS-JTQLQIEISA-N 0 0 316.354 0.720 50 0 DCAARN CC(C)c1nnc2n1CCN(C(=O)c1ccc(N(C)C)nn1)C2 ZINC000069770472 396089281 /nfs/dbraw/zinc/08/92/81/396089281.db2.gz JZPWHZXXSYMBLL-UHFFFAOYSA-N 0 0 315.381 0.914 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000069744596 396089776 /nfs/dbraw/zinc/08/97/76/396089776.db2.gz ASUNTQQOYKXAKK-LBPRGKRZSA-N 0 0 315.801 0.823 50 0 DCAARN COc1ccccc1CNC(=O)c1nnn2cc(C)[nH]c(=O)c12 ZINC000169768974 396091005 /nfs/dbraw/zinc/09/10/05/396091005.db2.gz GRENBIHLUVQNMG-UHFFFAOYSA-N 0 0 313.317 0.665 50 0 DCAARN CSCC(=O)N1CC[C@H](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000169781952 396091925 /nfs/dbraw/zinc/09/19/25/396091925.db2.gz LQYJVSWBPLSOHZ-LBPRGKRZSA-N 0 0 320.480 0.870 50 0 DCAARN COCC(=O)N[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@@H]1CO ZINC000169786421 396092591 /nfs/dbraw/zinc/09/25/91/396092591.db2.gz PCLWDWQRECHMAZ-TZMCWYRMSA-N 0 0 324.352 0.411 50 0 DCAARN CN(C[C@H]1CCCN1c1cccnn1)c1ccc2nnnn2n1 ZINC000069902395 396094749 /nfs/dbraw/zinc/09/47/49/396094749.db2.gz XBHGLBOWHLMANM-LLVKDONJSA-N 0 0 311.353 0.415 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000069948655 396095116 /nfs/dbraw/zinc/09/51/16/396095116.db2.gz BBOSOTUVQJSKAV-HNNXBMFYSA-N 0 0 322.405 0.850 50 0 DCAARN CC(C)(O)CN1CCN(C(=O)c2cccc3c2OCO3)CC1 ZINC000069929206 396095269 /nfs/dbraw/zinc/09/52/69/396095269.db2.gz DJCYWPMNMHGKLT-UHFFFAOYSA-N 0 0 306.362 0.944 50 0 DCAARN CCCS(=O)(=O)CC(=O)N1CCC[C@@H]1[C@H]1CCCN1C ZINC000069952009 396095926 /nfs/dbraw/zinc/09/59/26/396095926.db2.gz DQPOPXLRZDIYKQ-CHWSQXEVSA-N 0 0 302.440 0.896 50 0 DCAARN Cc1nc(NC(=O)[C@H](C)N2CCN(CCO)CC2)sc1C ZINC000069951731 396096133 /nfs/dbraw/zinc/09/61/33/396096133.db2.gz ORTKOHOXPVVPLW-NSHDSACASA-N 0 0 312.439 0.697 50 0 DCAARN COc1ccccc1N1CC[C@@H](CNC(=O)C(=O)NC2CC2)C1 ZINC000069950863 396096232 /nfs/dbraw/zinc/09/62/32/396096232.db2.gz FIUREIQAOIAXSZ-LBPRGKRZSA-N 0 0 317.389 0.916 50 0 DCAARN CCOC(=O)c1ccc(N2Cc3cnn(CCO)c3C2)nc1 ZINC000071278550 396111925 /nfs/dbraw/zinc/11/19/25/396111925.db2.gz WJYQIFUIMRODTR-UHFFFAOYSA-N 0 0 302.334 0.967 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)N1CCCCc2ccccc21 ZINC000071799408 396115487 /nfs/dbraw/zinc/11/54/87/396115487.db2.gz HKHYTYPHUBBPNA-UHFFFAOYSA-N 0 0 303.362 0.608 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)C2CCN(c3ncccn3)CC2)C1 ZINC000071821061 396116341 /nfs/dbraw/zinc/11/63/41/396116341.db2.gz PWSMASPXYNTCLS-GFCCVEGCSA-N 0 0 303.366 0.027 50 0 DCAARN CC[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)CN2)CCO1 ZINC000071820785 396116428 /nfs/dbraw/zinc/11/64/28/396116428.db2.gz SZRFXACCODLHBU-CYBMUJFWSA-N 0 0 316.361 0.574 50 0 DCAARN C[C@@H](C(N)=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000071830912 396117756 /nfs/dbraw/zinc/11/77/56/396117756.db2.gz KWPYLNSRFAORCO-NSHDSACASA-N 0 0 314.407 0.665 50 0 DCAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)N1CCNC(=O)CC1 ZINC000071839571 396117886 /nfs/dbraw/zinc/11/78/86/396117886.db2.gz NKKUUCGCXTUWOO-ZDUSSCGKSA-N 0 0 315.373 0.926 50 0 DCAARN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCCC[C@@H]1Cn1cncn1 ZINC000071878705 396121494 /nfs/dbraw/zinc/12/14/94/396121494.db2.gz LNZIKERFRJALBS-KFWWJZLASA-N 0 0 321.425 0.816 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)[C@H](C)OC[C@@H]2CCCO2)CC1 ZINC000071881771 396122647 /nfs/dbraw/zinc/12/26/47/396122647.db2.gz VYJHEEPOWIRGTH-KKUMJFAQSA-N 0 0 314.426 0.486 50 0 DCAARN C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCn2c(nnc2C2CC2)C1 ZINC000071880907 396123066 /nfs/dbraw/zinc/12/30/66/396123066.db2.gz JXIGXFOXDHWMJS-AAEUAGOBSA-N 0 0 319.409 0.655 50 0 DCAARN CC(C)(C)CC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000071884331 396123443 /nfs/dbraw/zinc/12/34/43/396123443.db2.gz XJGABLCMQNPHGN-UHFFFAOYSA-N 0 0 308.469 0.917 50 0 DCAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)OC2([C@@H]3CCOC3)CC2)C1=O ZINC000071913725 396124800 /nfs/dbraw/zinc/12/48/00/396124800.db2.gz WHHRSGUOKZLRNB-IAQYHMDHSA-N 0 0 322.361 0.819 50 0 DCAARN CCN1C(=O)c2ccc(C(=O)N[C@@H]3C[C@H]3C)cc2S1(=O)=O ZINC000072094990 396126969 /nfs/dbraw/zinc/12/69/69/396126969.db2.gz ZYMORFICCZODQH-LDYMZIIASA-N 0 0 308.359 0.989 50 0 DCAARN Cn1c(CN2CCc3nn(C)c(=O)cc3C2)nnc1C1CC1 ZINC000072302340 396130774 /nfs/dbraw/zinc/13/07/74/396130774.db2.gz BWOBCNHSQQHNNJ-UHFFFAOYSA-N 0 0 300.366 0.345 50 0 DCAARN CSCc1ccc(C(=O)NCCCS(N)(=O)=O)cc1 ZINC000069351039 396075785 /nfs/dbraw/zinc/07/57/85/396075785.db2.gz XAIXQAMEHBRYBL-UHFFFAOYSA-N 0 0 302.421 0.958 50 0 DCAARN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](n2cccn2)C1 ZINC000069378072 396076617 /nfs/dbraw/zinc/07/66/17/396076617.db2.gz OECQACBJHCSRAP-QWHCGFSZSA-N 0 0 308.407 0.968 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCO[C@H](Cn3cccn3)C2)on1 ZINC000069414975 396077351 /nfs/dbraw/zinc/07/73/51/396077351.db2.gz FEMMLUGHSVHJFN-OLZOCXBDSA-N 0 0 319.365 0.908 50 0 DCAARN O=C(CNC(=O)c1cn[nH]n1)Nc1ccc(-n2cccn2)cc1 ZINC000069414403 396077458 /nfs/dbraw/zinc/07/74/58/396077458.db2.gz WGLDELHBRCNQDI-UHFFFAOYSA-N 0 0 311.305 0.359 50 0 DCAARN COCCNC(=O)N1CCC(C(=O)NCc2ccco2)CC1 ZINC000069454792 396078443 /nfs/dbraw/zinc/07/84/43/396078443.db2.gz RZIXAHBZLTZICJ-UHFFFAOYSA-N 0 0 309.366 0.964 50 0 DCAARN CCCCn1nnnc1CN1CCN(Cc2nccn2C)CC1 ZINC000069463779 396079391 /nfs/dbraw/zinc/07/93/91/396079391.db2.gz DXDQBAGFQRLRGD-UHFFFAOYSA-N 0 0 318.429 0.525 50 0 DCAARN CN(CC(N)=O)C(=O)[C@H](c1ccccc1)N1CCSCC1 ZINC000069516089 396081013 /nfs/dbraw/zinc/08/10/13/396081013.db2.gz AMPZGCJGTPKEOY-AWEZNQCLSA-N 0 0 307.419 0.720 50 0 DCAARN Cc1cc(NC(=O)CN2CCC(N3CCN(C)C3=O)CC2)no1 ZINC000075603992 396182455 /nfs/dbraw/zinc/18/24/55/396182455.db2.gz CANNQBMGFJXBFZ-UHFFFAOYSA-N 0 0 321.381 0.753 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)[C@@H](C)Oc3cccnc3)CCO2)[nH]1 ZINC000076045657 396192697 /nfs/dbraw/zinc/19/26/97/396192697.db2.gz SORGCCZIRXDEAQ-MFKMUULPSA-N 0 0 317.349 0.876 50 0 DCAARN CCc1nnsc1C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000076045319 396193068 /nfs/dbraw/zinc/19/30/68/396193068.db2.gz TYXYOICYGGYUGL-SECBINFHSA-N 0 0 308.367 0.741 50 0 DCAARN Cc1nnc([C@H]2CN(CC(=O)Nc3nnc(C)s3)CCO2)[nH]1 ZINC000076049028 396194012 /nfs/dbraw/zinc/19/40/12/396194012.db2.gz UXIDPVOPHATXJW-SECBINFHSA-N 0 0 323.382 0.285 50 0 DCAARN COCCc1noc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)n1 ZINC000076048203 396194034 /nfs/dbraw/zinc/19/40/34/396194034.db2.gz XXBHXRBUDSIIQC-JTQLQIEISA-N 0 0 308.342 0.259 50 0 DCAARN NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CC=CCC2)c1 ZINC000076308046 396201340 /nfs/dbraw/zinc/20/13/40/396201340.db2.gz QYCKBCHCAZALMU-JTQLQIEISA-N 0 0 316.404 0.721 50 0 DCAARN CCc1nnc([C@H]2CN([C@H](C(N)=O)c3ccccc3)CCO2)[nH]1 ZINC000078892645 396257100 /nfs/dbraw/zinc/25/71/00/396257100.db2.gz QKAMOTJNXWQWOD-OCCSQVGLSA-N 0 0 315.377 0.967 50 0 DCAARN Cn1cc([C@](C)(O)CNC(=O)[C@H]2COc3ccccc32)cn1 ZINC000078939692 396258805 /nfs/dbraw/zinc/25/88/05/396258805.db2.gz MPXDSTZGCLHVLK-XJKSGUPXSA-N 0 0 301.346 0.920 50 0 DCAARN C[C@H](NC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cnn(C)c1 ZINC000078997002 396259527 /nfs/dbraw/zinc/25/95/27/396259527.db2.gz GCQMWQWCHFYTKK-YRRQLQLVSA-N 0 0 305.382 0.790 50 0 DCAARN O=C(c1ccc[nH]1)N1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 ZINC000077354477 396219692 /nfs/dbraw/zinc/21/96/92/396219692.db2.gz DJHGYEYQQRGALE-INIZCTEOSA-N 0 0 305.378 0.852 50 0 DCAARN COc1cccc(SCC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)[O-])c1 ZINC000077440025 396221779 /nfs/dbraw/zinc/22/17/79/396221779.db2.gz FNHFHFWATDFLPC-CABZTGNLSA-N 0 0 310.375 0.800 50 0 DCAARN CCN(Cc1nc(CSC)no1)[C@H]1CCS(=O)(=O)C1 ZINC000077504122 396224838 /nfs/dbraw/zinc/22/48/38/396224838.db2.gz TZXAIUFAIXJPQS-VIFPVBQESA-N 0 0 305.425 0.942 50 0 DCAARN NC(=O)c1cncc(N2CCN(Cc3cccc(O)c3)CC2)n1 ZINC000080803760 396286619 /nfs/dbraw/zinc/28/66/19/396286619.db2.gz VWOCECWITPQLFK-UHFFFAOYSA-N 0 0 313.361 0.603 50 0 DCAARN CN(C)C(=O)N1CCC(C(=O)NCCc2ccnn2C)CC1 ZINC000185797974 396335343 /nfs/dbraw/zinc/33/53/43/396335343.db2.gz WIBBFOFHUBRCLU-UHFFFAOYSA-N 0 0 307.398 0.472 50 0 DCAARN Cc1noc([C@@H]2CCCCN2C(=O)NCCn2cncn2)n1 ZINC000287835717 396425723 /nfs/dbraw/zinc/42/57/23/396425723.db2.gz WJEMBJYNUVKJCM-NSHDSACASA-N 0 0 305.342 0.906 50 0 DCAARN CN(C)C(=O)NCC(=O)NCc1ccc(-c2ncon2)cc1 ZINC000584887557 396633544 /nfs/dbraw/zinc/63/35/44/396633544.db2.gz LAKZPQOABBCZNS-UHFFFAOYSA-N 0 0 303.322 0.624 50 0 DCAARN CN1C(=O)[C@H]2CN(C(=O)c3cccc(-c4cn[nH]c4)c3)C[C@H]2C1=O ZINC000584891958 396633855 /nfs/dbraw/zinc/63/38/55/396633855.db2.gz MUWDKSLKJDNXFH-OKILXGFUSA-N 0 0 324.340 0.764 50 0 DCAARN CN1C[C@@H](Cn2cnc3cc(Cl)ccc3c2=O)OCC1=O ZINC000584891893 396634107 /nfs/dbraw/zinc/63/41/07/396634107.db2.gz XESLTLVLSIFGLF-JTQLQIEISA-N 0 0 307.737 0.907 50 0 DCAARN C[C@H](NC(=O)CCn1cnnn1)c1nc(-c2ccncc2)no1 ZINC000584893749 396634998 /nfs/dbraw/zinc/63/49/98/396634998.db2.gz WPMFEQJTNYGBFO-VIFPVBQESA-N 0 0 314.309 0.386 50 0 DCAARN Cn1cc(C(=O)N2CCOc3ccc(CO)cc3C2)ccc1=O ZINC000584900700 396636639 /nfs/dbraw/zinc/63/66/39/396636639.db2.gz XIHWPJXSHLOQFR-UHFFFAOYSA-N 0 0 314.341 0.912 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](c3ncc[nH]3)C2)c[nH]1 ZINC000585135058 396641566 /nfs/dbraw/zinc/64/15/66/396641566.db2.gz VTLQAYCKPRNTOJ-SECBINFHSA-N 0 0 324.362 0.703 50 0 DCAARN CN1c2ccc(NS(=O)(=O)C3CC3)cc2N(C)S1(=O)=O ZINC000390828811 397302819 /nfs/dbraw/zinc/30/28/19/397302819.db2.gz BVUCHVCHQDJZSP-UHFFFAOYSA-N 0 0 317.392 0.722 50 0 DCAARN O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1cccnc1 ZINC000390829716 397303513 /nfs/dbraw/zinc/30/35/13/397303513.db2.gz GBOHGAOTYBUEGR-GFCCVEGCSA-N 0 0 309.333 0.528 50 0 DCAARN COc1ccc(N2C(=S)N(C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000004168730 286325148 /nfs/dbraw/zinc/32/51/48/286325148.db2.gz TVGQPNZXHRTQKC-NEPJUHHUSA-N 0 0 312.416 0.898 50 0 DCAARN COc1ccc2c(c1)[C@H](C(=O)N1CCO[C@H](C)[C@H]1C(N)=O)CC2 ZINC000285638614 286425730 /nfs/dbraw/zinc/42/57/30/286425730.db2.gz WNVZDKKCZASXAG-YVLXSGLVSA-N 0 0 318.373 0.826 50 0 DCAARN CS(=O)(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000003268329 286640771 /nfs/dbraw/zinc/64/07/71/286640771.db2.gz SZBVYHUBUZEJIT-UHFFFAOYSA-N 0 0 318.401 0.702 50 0 DCAARN CSCCC(=O)N1CC[C@H]2CN(C(=O)c3cccnn3)C[C@H]21 ZINC000082108823 286663486 /nfs/dbraw/zinc/66/34/86/286663486.db2.gz COJMWOBVGIXICY-WCQYABFASA-N 0 0 320.418 0.903 50 0 DCAARN C[C@@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1cn[nH]c1 ZINC000270263157 158909361 /nfs/dbraw/zinc/90/93/61/158909361.db2.gz QWZBBIFRXMATOQ-XLKFXECMSA-N 0 0 305.338 0.307 50 0 DCAARN Cn1nncc1S(=O)(=O)NC[C@H](CO)CC1CCCC1 ZINC000329549597 159101583 /nfs/dbraw/zinc/10/15/83/159101583.db2.gz ABMOBTVQEZNMKB-LLVKDONJSA-N 0 0 302.400 0.282 50 0 DCAARN O=C(Cn1nnc2ccccc2c1=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000329881520 159125709 /nfs/dbraw/zinc/12/57/09/159125709.db2.gz OPPHSGXZRNKRQT-CQSZACIVSA-N 0 0 324.344 0.878 50 0 DCAARN C[C@@H](CNC(=O)c1cc(Br)cn1C)S(N)(=O)=O ZINC000330620480 159204145 /nfs/dbraw/zinc/20/41/45/159204145.db2.gz KLGMLBUJYHFYNS-LURJTMIESA-N 0 0 324.200 0.194 50 0 DCAARN C[C@H](CNC(=O)c1cc(Br)cn1C)S(N)(=O)=O ZINC000330620481 159204282 /nfs/dbraw/zinc/20/42/82/159204282.db2.gz KLGMLBUJYHFYNS-ZCFIWIBFSA-N 0 0 324.200 0.194 50 0 DCAARN COCCn1ccc(N[C@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC000114754204 286944548 /nfs/dbraw/zinc/94/45/48/286944548.db2.gz NCHCVSUVSFYIPO-LBPRGKRZSA-N 0 0 304.354 0.480 50 0 DCAARN C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCOc1ccccc1 ZINC000095955360 287044440 /nfs/dbraw/zinc/04/44/40/287044440.db2.gz FORMGZNYQUKYCK-LLVKDONJSA-N 0 0 300.380 0.462 50 0 DCAARN C[C@@H](CN1CCOCC1)N(C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000331252055 287145607 /nfs/dbraw/zinc/14/56/07/287145607.db2.gz UECVPYFEGSFANQ-ZDUSSCGKSA-N 0 0 308.426 0.869 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCc2ccccc2C1 ZINC000020489253 415153448 /nfs/dbraw/zinc/15/34/48/415153448.db2.gz LEAJCTHNTYPTHH-UHFFFAOYSA-N 0 0 321.358 0.119 50 0 DCAARN C[C@@H]1CN(C(C)(C)CNC(=O)c2nccnc2N)C[C@@H](C)O1 ZINC000021063654 415154081 /nfs/dbraw/zinc/15/40/81/415154081.db2.gz JUBWXBZYQRFFGS-GHMZBOCLSA-N 0 0 307.398 0.676 50 0 DCAARN NC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1cc(Cl)c[nH]1 ZINC000025199829 415159602 /nfs/dbraw/zinc/15/96/02/415159602.db2.gz IYGRRIVUMSSCRV-SNVBAGLBSA-N 0 0 313.741 0.691 50 0 DCAARN C[C@H]1CN(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CCO1 ZINC000025837564 415164651 /nfs/dbraw/zinc/16/46/51/415164651.db2.gz OUSCTMWKKDOGBA-JTQLQIEISA-N 0 0 321.333 0.784 50 0 DCAARN C[C@H](OC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000007034042 415138141 /nfs/dbraw/zinc/13/81/41/415138141.db2.gz JANBPAHONQPWCG-JOYOIKCWSA-N 0 0 306.318 0.835 50 0 DCAARN COc1ccc(C(=O)OCC(=O)NC[C@H]2CCCO2)c(O)c1 ZINC000007396824 415139812 /nfs/dbraw/zinc/13/98/12/415139812.db2.gz ANIWYHPJQPPCIL-LLVKDONJSA-N 0 0 309.318 0.853 50 0 DCAARN Cc1cc(C)nc(Nn2ccc3c(cnc4ncnn43)c2=O)n1 ZINC000009290505 415145840 /nfs/dbraw/zinc/14/58/40/415145840.db2.gz UKFZLBAHMQNRPL-UHFFFAOYSA-N 0 0 308.305 0.721 50 0 DCAARN O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCCO ZINC000009305196 415146256 /nfs/dbraw/zinc/14/62/56/415146256.db2.gz ZBDDIBKHCALSNS-UHFFFAOYSA-N 0 0 320.349 0.043 50 0 DCAARN Cn1cnc2c1c(=O)n(CCOc1ccccc1F)c(=O)n2C ZINC000012728823 415148572 /nfs/dbraw/zinc/14/85/72/415148572.db2.gz YRLIZVDGDIIEGF-UHFFFAOYSA-N 0 0 318.308 0.652 50 0 DCAARN C[C@H]1CCC[C@H](C)N1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000026171045 415166438 /nfs/dbraw/zinc/16/64/38/415166438.db2.gz BEDIJCQOKPBANA-QWRGUYRKSA-N 0 0 303.366 0.920 50 0 DCAARN C[C@@H]1CN(C(=O)CNc2ccc3c(c2)C(=O)N(C)C3=O)CCO1 ZINC000025737010 415166484 /nfs/dbraw/zinc/16/64/84/415166484.db2.gz AFHIKXZEIMPTIV-SNVBAGLBSA-N 0 0 317.345 0.572 50 0 DCAARN C[C@H]1COCCN1C(=O)Cn1cc(Br)ccc1=O ZINC000044915711 415232873 /nfs/dbraw/zinc/23/28/73/415232873.db2.gz BNWHSUFNGPWTEV-VIFPVBQESA-N 0 0 315.167 0.858 50 0 DCAARN Cc1nc2ncnn2c(C)c1CCC(=O)N1CCOC[C@H]1C ZINC000044912651 415233069 /nfs/dbraw/zinc/23/30/69/415233069.db2.gz AEKUQVSLCQXXKK-SNVBAGLBSA-N 0 0 303.366 0.921 50 0 DCAARN Cc1nc(C)c(CC(=O)NCc2ccc(C(N)=O)cc2)c(=O)[nH]1 ZINC000044934057 415235932 /nfs/dbraw/zinc/23/59/32/415235932.db2.gz QIGKVBAOQMTMMJ-UHFFFAOYSA-N 0 0 314.345 0.345 50 0 DCAARN Cc1cc(C)n(C[C@H](C)CNC(=O)[C@H](C)S(C)(=O)=O)n1 ZINC000044953243 415237755 /nfs/dbraw/zinc/23/77/55/415237755.db2.gz YOYXBACWDCIHFV-SKDRFNHKSA-N 0 0 301.412 0.685 50 0 DCAARN COc1ccc2c(c1)ncc(C(=O)NCCNC(C)=O)c2O ZINC000044966876 415238754 /nfs/dbraw/zinc/23/87/54/415238754.db2.gz FQXVFCWCGBAZDU-UHFFFAOYSA-N 0 0 303.318 0.403 50 0 DCAARN COCC(=O)N1CCN(CCn2c3ccccc3oc2=O)CC1 ZINC000044950717 415240295 /nfs/dbraw/zinc/24/02/95/415240295.db2.gz ITJJKFSJNFOKMJ-UHFFFAOYSA-N 0 0 319.361 0.385 50 0 DCAARN CC(C)CN(CC(N)=O)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000044977166 415240724 /nfs/dbraw/zinc/24/07/24/415240724.db2.gz JAUIUPBNEQLPGA-UHFFFAOYSA-N 0 0 317.411 0.473 50 0 DCAARN C[C@@H]1CCCN(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)C1 ZINC000045799289 415250268 /nfs/dbraw/zinc/25/02/68/415250268.db2.gz OIXLPRNPUNOANN-YPMHNXCESA-N 0 0 311.407 0.779 50 0 DCAARN Cn1cc(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)cn1 ZINC000046034294 415256935 /nfs/dbraw/zinc/25/69/35/415256935.db2.gz XHXRVUISIWXGTH-UHFFFAOYSA-N 0 0 321.406 0.894 50 0 DCAARN O=C(NCCNc1ncccn1)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000047105041 415267508 /nfs/dbraw/zinc/26/75/08/415267508.db2.gz HKNLWEXNYPKESB-GFCCVEGCSA-N 0 0 303.366 0.263 50 0 DCAARN CCc1nc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)cs1 ZINC000048008719 415282027 /nfs/dbraw/zinc/28/20/27/415282027.db2.gz RBBTVANSDIJGDH-UHFFFAOYSA-N 0 0 322.434 0.628 50 0 DCAARN Cc1ccc([C@H](C)NC(=O)NCCCNS(C)(=O)=O)o1 ZINC000048061200 415282227 /nfs/dbraw/zinc/28/22/27/415282227.db2.gz RLNLIDDNVXGYOZ-JTQLQIEISA-N 0 0 303.384 0.888 50 0 DCAARN O=C(Cn1nnc2ccccc2c1=O)NCCc1ccncc1 ZINC000044451398 415220535 /nfs/dbraw/zinc/22/05/35/415220535.db2.gz WCDMPMDXTZSZMP-UHFFFAOYSA-N 0 0 309.329 0.545 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)NCC(C)(C)N1CCOCC1 ZINC000044891280 415228062 /nfs/dbraw/zinc/22/80/62/415228062.db2.gz VYGODHUZBIWBLO-UHFFFAOYSA-N 0 0 309.414 0.672 50 0 DCAARN C[C@H]1COCCN1C(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000044915477 415230230 /nfs/dbraw/zinc/23/02/30/415230230.db2.gz BJVNZLURHLJFKL-NSHDSACASA-N 0 0 303.318 0.751 50 0 DCAARN Cc1csc(=O)n1CCC(=O)NC[C@@H](C)N1CCOCC1 ZINC000044912751 415231394 /nfs/dbraw/zinc/23/13/94/415231394.db2.gz UISCFSROFOHFKU-LLVKDONJSA-N 0 0 313.423 0.445 50 0 DCAARN CNC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000044911620 415231447 /nfs/dbraw/zinc/23/14/47/415231447.db2.gz GHEGDECSCUGFBR-UHFFFAOYSA-N 0 0 318.443 0.453 50 0 DCAARN CCN(CC)S(=O)(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000044895679 415232289 /nfs/dbraw/zinc/23/22/89/415232289.db2.gz LFFKRXXEISVEOC-UHFFFAOYSA-N 0 0 317.415 0.082 50 0 DCAARN CC1(C)Cc2cccc(OCCNC(=O)CCNC(N)=O)c2O1 ZINC000048260530 415287211 /nfs/dbraw/zinc/28/72/11/415287211.db2.gz JOLOBUQPKSTYED-UHFFFAOYSA-N 0 0 321.377 0.954 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)N[C@@H](C)c2nnc3n2CCC3)CC1=O ZINC000048253505 415287767 /nfs/dbraw/zinc/28/77/67/415287767.db2.gz YSDGKYDPVSZEDC-RYUDHWBXSA-N 0 0 319.409 0.906 50 0 DCAARN Cc1cc(CN(C)C(=O)CN(C)c2ncnc3nc[nH]c32)no1 ZINC000056889491 415335099 /nfs/dbraw/zinc/33/50/99/415335099.db2.gz QNASYCOSNRXIIE-UHFFFAOYSA-N 0 0 315.337 0.744 50 0 DCAARN CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)[C@@H]1CCCCO1)CC2 ZINC000065504102 415357747 /nfs/dbraw/zinc/35/77/47/415357747.db2.gz QCQFGKPRKYVASO-ZDUSSCGKSA-N 0 0 320.393 0.332 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)Cc1cn2ccsc2n1 ZINC000060671111 415344461 /nfs/dbraw/zinc/34/44/61/415344461.db2.gz PIDMBFSEXQKCQU-LLVKDONJSA-N 0 0 308.407 0.775 50 0 DCAARN CC(=O)NCC1=CCCN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000065375564 415357965 /nfs/dbraw/zinc/35/79/65/415357965.db2.gz AIHYWTWPRBCZPM-BETUJISGSA-N 0 0 309.410 0.390 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)N[C@H](C)Cc1ccc(C)cc1C ZINC000066444052 415361704 /nfs/dbraw/zinc/36/17/04/415361704.db2.gz YCFQFKYEGLYZEA-CYBMUJFWSA-N 0 0 319.405 0.603 50 0 DCAARN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000067623054 415378423 /nfs/dbraw/zinc/37/84/23/415378423.db2.gz QBQZTFSPDOHZIZ-VXGBXAGGSA-N 0 0 316.423 0.281 50 0 DCAARN O=C(Cc1ccc(C(F)(F)F)cc1)NN1CC(=O)NC1=O ZINC000067508882 415381400 /nfs/dbraw/zinc/38/14/00/415381400.db2.gz OILVOZHIZJTRPF-UHFFFAOYSA-N 0 0 301.224 0.831 50 0 DCAARN Cc1cc([C@H]2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)[nH]n1 ZINC000084110508 415490924 /nfs/dbraw/zinc/49/09/24/415490924.db2.gz OLITVUIDZFWDHN-NSHDSACASA-N 0 0 314.411 0.316 50 0 DCAARN CC[C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1N1CCOCC1 ZINC000084735843 415501636 /nfs/dbraw/zinc/50/16/36/415501636.db2.gz CATPGLWVRHPARB-KGLIPLIRSA-N 0 0 307.398 0.237 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000075120280 415436540 /nfs/dbraw/zinc/43/65/40/415436540.db2.gz GGJBYJWENBJWQY-LBPRGKRZSA-N 0 0 311.341 0.989 50 0 DCAARN Cn1cccc1[C@@H](O)CNC(=O)C(=O)NCc1ccc(F)cc1 ZINC000075155147 415436889 /nfs/dbraw/zinc/43/68/89/415436889.db2.gz BXIOXXLHLPRKDA-AWEZNQCLSA-N 0 0 319.336 0.630 50 0 DCAARN C[C@@](O)(CNC(=O)C(=O)NC[C@H]1CCCO1)c1cccs1 ZINC000075155955 415438263 /nfs/dbraw/zinc/43/82/63/415438263.db2.gz WZEZXATZZHFWJL-QMTHXVAHSA-N 0 0 312.391 0.367 50 0 DCAARN Cn1cccc1[C@@H](O)CNC(=O)Cn1c(=O)oc2ccccc21 ZINC000075155067 415439193 /nfs/dbraw/zinc/43/91/93/415439193.db2.gz HBNMOLNAAVBELA-ZDUSSCGKSA-N 0 0 315.329 0.783 50 0 DCAARN CSCC[C@@](C)(O)CNC(=O)C(=O)NCc1cccs1 ZINC000075157609 415439476 /nfs/dbraw/zinc/43/94/76/415439476.db2.gz OTDPNFHXHMNQIT-CYBMUJFWSA-N 0 0 316.448 0.985 50 0 DCAARN O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CSCCC(=O)N1 ZINC000075171034 415441035 /nfs/dbraw/zinc/44/10/35/415441035.db2.gz HEZUDXGYRFYOPJ-NSHDSACASA-N 0 0 318.362 0.223 50 0 DCAARN CCOC(=O)N1CCN(C(=O)CN2CCc3n[nH]cc3C2)CC1 ZINC000084793564 415502090 /nfs/dbraw/zinc/50/20/90/415502090.db2.gz ZRORZAFDXUKTGJ-UHFFFAOYSA-N 0 0 321.381 0.069 50 0 DCAARN O=C([C@H]1CSCCC(=O)N1)N1CCN(c2ccccn2)CC1 ZINC000075171376 415442905 /nfs/dbraw/zinc/44/29/05/415442905.db2.gz BFVZYHYRMQEHQA-GFCCVEGCSA-N 0 0 320.418 0.352 50 0 DCAARN O=C(c1ccn(-c2ccccc2)n1)N1CCN(CCO)CC1 ZINC000075572397 415446150 /nfs/dbraw/zinc/44/61/50/415446150.db2.gz DPEBMUUGDKSYFD-UHFFFAOYSA-N 0 0 300.362 0.622 50 0 DCAARN O=C(N1CCOCC1)N1CCN(c2nnc(C3CCC3)o2)CC1 ZINC000095379450 415560204 /nfs/dbraw/zinc/56/02/04/415560204.db2.gz XBQVMUFQIISWSY-UHFFFAOYSA-N 0 0 321.381 0.911 50 0 DCAARN NC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)CC1CCCCC1 ZINC000095957827 415569674 /nfs/dbraw/zinc/56/96/74/415569674.db2.gz KDOWKWRVHKKFCR-ZDUSSCGKSA-N 0 0 309.410 0.939 50 0 DCAARN FC(F)c1nnc2ccc(N3CCC[C@@H](c4nn[nH]n4)C3)nn21 ZINC000097147823 415587070 /nfs/dbraw/zinc/58/70/70/415587070.db2.gz ZJRRNWUMCLAUFE-SSDOTTSWSA-N 0 0 321.295 0.959 50 0 DCAARN C[C@@H]1Cc2ccccc2N1C(=O)Cn1cnnc1[S@@](C)=O ZINC000112226652 415708326 /nfs/dbraw/zinc/70/83/26/415708326.db2.gz NERGPRYVRWYBIH-UZJPJQLHSA-N 0 0 304.375 0.993 50 0 DCAARN OCC[C@@]1(CNc2nccc(N3CCOCC3)n2)CCOC1 ZINC000154296329 415991630 /nfs/dbraw/zinc/99/16/30/415991630.db2.gz CXNPBRLQOVCXFT-HNNXBMFYSA-N 0 0 308.382 0.514 50 0 DCAARN Cc1cccc([C@@H](NC(=O)CCNS(C)(=O)=O)C2CC2)n1 ZINC000299761888 416063817 /nfs/dbraw/zinc/06/38/17/416063817.db2.gz YVWUIKNDYYPYDK-AWEZNQCLSA-N 0 0 311.407 0.897 50 0 DCAARN CO[C@]12CCN(C(=O)c3nnc4n3CCCC4)[C@H]1C[C@@H](O)CC2 ZINC000299760066 416063946 /nfs/dbraw/zinc/06/39/46/416063946.db2.gz QJFBNVBCNUYZSV-MQIPJXDCSA-N 0 0 320.393 0.759 50 0 DCAARN Cc1cc(=O)[nH]c(CCNC(=O)CN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000299768457 416065509 /nfs/dbraw/zinc/06/55/09/416065509.db2.gz NUXALVDYDRZDRF-TXEJJXNPSA-N 0 0 308.382 0.259 50 0 DCAARN COCCn1cnnc1CNC(=O)c1cnc(C(C)C)nc1 ZINC000299773685 416065531 /nfs/dbraw/zinc/06/55/31/416065531.db2.gz DYESPAKOJDFTBG-UHFFFAOYSA-N 0 0 304.354 0.768 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)CN3CCOC3=O)nc2c1 ZINC000299762968 416065894 /nfs/dbraw/zinc/06/58/94/416065894.db2.gz NXBMYCOLFHVICY-UHFFFAOYSA-N 0 0 304.306 0.640 50 0 DCAARN O=C(NCC1CCS(=O)(=O)CC1)c1ccc2c(c1)OCO2 ZINC000299764595 416066194 /nfs/dbraw/zinc/06/61/94/416066194.db2.gz JHAWPDGQEGRCCF-UHFFFAOYSA-N 0 0 311.359 0.970 50 0 DCAARN COCC(=O)N1CC[C@@H](NC(=O)Cc2ccccc2F)[C@H](O)C1 ZINC000299771570 416066362 /nfs/dbraw/zinc/06/63/62/416066362.db2.gz UFCIJPVZWKTHNJ-ZIAGYGMSSA-N 0 0 324.352 0.093 50 0 DCAARN COCCC(=O)N[C@@H]1CCN(Cc2c(C)noc2C)C[C@H]1O ZINC000299779170 416066937 /nfs/dbraw/zinc/06/69/37/416066937.db2.gz QBDGGRSBRKLBHW-ZIAGYGMSSA-N 0 0 311.382 0.379 50 0 DCAARN COCCc1noc([C@@H](C)NC(=O)Cc2c(C)[nH][nH]c2=O)n1 ZINC000299783597 416067059 /nfs/dbraw/zinc/06/70/59/416067059.db2.gz WXGIRUDVMUVSFC-MRVPVSSYSA-N 0 0 309.326 0.003 50 0 DCAARN CCSCC(=O)NCCn1[nH]c(=O)c2ccccc2c1=O ZINC000299782271 416067492 /nfs/dbraw/zinc/06/74/92/416067492.db2.gz 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/nfs/dbraw/zinc/04/79/39/289047939.db2.gz QSKVONOKKGMBPY-BXUZGUMPSA-N 0 0 315.377 0.893 50 0 DCAARN Cn1cc(NC(=O)c2cc(C(F)(F)F)n(C)n2)c(C(N)=O)n1 ZINC000002774779 294266931 /nfs/dbraw/zinc/26/69/31/294266931.db2.gz RKLATHGPRDLVDC-UHFFFAOYSA-N 0 0 316.243 0.524 50 0 DCAARN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C(=O)c1cccnc1 ZINC000222481677 295131081 /nfs/dbraw/zinc/13/10/81/295131081.db2.gz NYYZELZCIZVIGV-AWEZNQCLSA-N 0 0 309.325 0.703 50 0 DCAARN COc1cccc(C(=O)NC(=S)Nn2cnnc2)c1OC ZINC000005783373 295287963 /nfs/dbraw/zinc/28/79/63/295287963.db2.gz OHUDAHFXGSOARR-UHFFFAOYSA-N 0 0 307.335 0.554 50 0 DCAARN C[C@H]1CNCCN1S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000237633433 300323501 /nfs/dbraw/zinc/32/35/01/300323501.db2.gz OKDYETHOJOFCTO-JTQLQIEISA-N 0 0 318.420 0.073 50 0 DCAARN Cc1ccc(S(=O)(=O)NN2CC[S@@](=O)[C@H](C)C2)cc1 ZINC000005683584 301689811 /nfs/dbraw/zinc/68/98/11/301689811.db2.gz HYEVSGUCCBFFMK-ZMZPIMSZSA-N 0 0 302.421 0.641 50 0 DCAARN Cc1ccc([C@H]2COCCN2C(=O)c2ccc(=O)n(C)n2)o1 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AHQJCVIVKHVWHP-UHFFFAOYSA-N 0 0 314.455 0.871 50 0 DCAARN O=C(CN1CCN(Cc2nccs2)CC1)Nc1nncs1 ZINC000091981935 545719559 /nfs/dbraw/zinc/71/95/59/545719559.db2.gz MXEABKKKMIWZJA-UHFFFAOYSA-N 0 0 324.435 0.751 50 0 DCAARN O=C(c1cnc2ccccc2n1)N1CC(N2C(=O)CCC2=O)C1 ZINC000206953270 545936357 /nfs/dbraw/zinc/93/63/57/545936357.db2.gz DMWUWGIXFDQRDZ-UHFFFAOYSA-N 0 0 310.313 0.603 50 0 DCAARN O=C1CSC(=O)N1C1CN(S(=O)(=O)c2cccnc2)C1 ZINC000206955491 545936513 /nfs/dbraw/zinc/93/65/13/545936513.db2.gz MHKXAPFBNPXICP-UHFFFAOYSA-N 0 0 313.360 0.150 50 0 DCAARN COc1cccc(S(=O)(=O)N2CC(N3C(=O)CCC3=O)C2)c1 ZINC000206953816 545936745 /nfs/dbraw/zinc/93/67/45/545936745.db2.gz YVVXRYMEICTMDV-UHFFFAOYSA-N 0 0 324.358 0.217 50 0 DCAARN Cc1nc2ccccn2c1CN(C)C(=O)CN1CCOCC1 ZINC000222538053 545941248 /nfs/dbraw/zinc/94/12/48/545941248.db2.gz MQFUCVBQVKCTKY-UHFFFAOYSA-N 0 0 302.378 0.933 50 0 DCAARN O=C(Cn1ccnn1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 ZINC000222538234 545941277 /nfs/dbraw/zinc/94/12/77/545941277.db2.gz 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ZHQFKNJISHFHCO-JTQLQIEISA-N 0 0 321.410 0.712 50 0 DCAARN CCc1cc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)ccc1F ZINC000685940396 548746120 /nfs/dbraw/zinc/74/61/20/548746120.db2.gz IPPZLUQUQNLYDM-VXGBXAGGSA-N 0 0 316.354 0.668 50 0 DCAARN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cn3c(n2)CCC3)cn1 ZINC000685939985 548746210 /nfs/dbraw/zinc/74/62/10/548746210.db2.gz UUMWSQSRBQANDT-QWHCGFSZSA-N 0 0 317.349 0.139 50 0 DCAARN Cn1ccnc1C(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1 ZINC000222284280 563724544 /nfs/dbraw/zinc/72/45/44/563724544.db2.gz ZYGOFKJKNIPFPY-VXGBXAGGSA-N 0 0 302.334 0.781 50 0 DCAARN O=C(N[C@]1(C(F)(F)F)CCOC1)c1ccn2nnnc2c1 ZINC000888092991 661152171 /nfs/dbraw/zinc/15/21/71/661152171.db2.gz UYJDMINWZHFNHN-SNVBAGLBSA-N 0 0 301.228 0.576 50 0 DCAARN C[C@H](NC(=O)[C@H]1CCCC(=O)N1)c1ccc(-c2nn[nH]n2)cc1 ZINC000888093778 661157736 /nfs/dbraw/zinc/15/77/36/661157736.db2.gz QDUUXUUMYIHKRN-JOYOIKCWSA-N 0 0 314.349 0.713 50 0 DCAARN Cc1cnc(CCNC(=O)N[C@H]2CCN(C3CCC3)C2=O)nc1 ZINC000888100006 661180028 /nfs/dbraw/zinc/18/00/28/661180028.db2.gz RVSGCSTXVYMCNJ-ZDUSSCGKSA-N 0 0 317.393 0.780 50 0 DCAARN COCC1(C2CCC2)CN(C(=O)N[C@H]2CC[S@](=O)C2)C1 ZINC000888101531 661180451 /nfs/dbraw/zinc/18/04/51/661180451.db2.gz AYSLLAPQLRWLCX-YUNKPMOVSA-N 0 0 300.424 0.966 50 0 DCAARN Cn1cc(CN2CCO[C@H](C(N)=O)C2)c(-c2cccs2)n1 ZINC000179941027 665411886 /nfs/dbraw/zinc/41/18/86/665411886.db2.gz SUAZDXXVHJKFFZ-NSHDSACASA-N 0 0 306.391 0.835 50 0 DCAARN Cc1c[nH]c(C(=O)N2CCC(Cn3cc([C@H](C)O)nn3)CC2)n1 ZINC000023159636 658831307 /nfs/dbraw/zinc/83/13/07/658831307.db2.gz NRZAZUKYPURXMI-NSHDSACASA-N 0 0 318.381 0.915 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)OC/C=C\c1ccccc1 ZINC000045895399 659447446 /nfs/dbraw/zinc/44/74/46/659447446.db2.gz LHLACIVGXBSMGF-DAXSKMNVSA-N 0 0 309.387 0.973 50 0 DCAARN O=C(Nc1ccc(N2CCOCC2)cn1)[C@H]1CCCCC(=O)N1 ZINC000193755571 659460806 /nfs/dbraw/zinc/46/08/06/659460806.db2.gz VLCZAHNIFVZZFZ-CYBMUJFWSA-N 0 0 318.377 0.916 50 0 DCAARN Cc1nc(CC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cs1 ZINC000299755789 659635231 /nfs/dbraw/zinc/63/52/31/659635231.db2.gz CXVDGORTVFIRJZ-SECBINFHSA-N 0 0 303.409 0.131 50 0 DCAARN CC[C@H](C)C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)OC ZINC000585089656 661465380 /nfs/dbraw/zinc/46/53/80/661465380.db2.gz IPRICHVVGXTMTB-AXFHLTTASA-N 0 0 305.396 0.515 50 0 DCAARN CC(C)Cc1noc([C@H](C)NC(=O)CCS(C)(=O)=O)n1 ZINC000952977034 665835990 /nfs/dbraw/zinc/83/59/90/665835990.db2.gz ZEGRVZOWYNFONW-VIFPVBQESA-N 0 0 303.384 0.880 50 0 DCAARN CC[C@H](CO)Nc1cc(N2C[C@@H](OC)C[C@H]2COC)ncn1 ZINC000871100756 664725175 /nfs/dbraw/zinc/72/51/75/664725175.db2.gz APETZKYRFKNMNV-AGIUHOORSA-N 0 0 310.398 0.900 50 0 DCAARN CN(C[C@@H]1COCCO1)c1nc2nonc2nc1N1CCCC1 ZINC000012074632 666320011 /nfs/dbraw/zinc/32/00/11/666320011.db2.gz IMJSIBNBVRJQOW-SNVBAGLBSA-N 0 0 320.353 0.465 50 0 DCAARN Cn1ccnc1CNC[C@]1(O)CCCN(CC(C)(C)C)C1=O ZINC000012316232 666440097 /nfs/dbraw/zinc/44/00/97/666440097.db2.gz SKPMMOVSHOGUJM-MRXNPFEDSA-N 0 0 308.426 0.909 50 0 DCAARN CC(C)(C)n1cc(C(=O)NCC(C)(C)N2CCOCC2)nn1 ZINC000190596357 670465338 /nfs/dbraw/zinc/46/53/38/670465338.db2.gz KJZPEGFKEZPZEX-UHFFFAOYSA-N 0 0 309.414 0.874 50 0 DCAARN O=C(NC[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1)c1ccoc1 ZINC000952971267 685600294 /nfs/dbraw/zinc/60/02/94/685600294.db2.gz CYDVFRPGFUZTPB-JTQLQIEISA-N 0 0 303.322 0.680 50 0 DCAARN COc1cc(CC(=O)N2C[C@@H](O)[C@H](F)C2)cc(OC)c1OC ZINC000952982998 685601967 /nfs/dbraw/zinc/60/19/67/685601967.db2.gz NRXZIAWHXJHWID-GHMZBOCLSA-N 0 0 313.325 0.796 50 0 DCAARN COc1cccc(CC(=O)N2CC[C@H](OC(=O)N(C)C)C2)n1 ZINC000952994354 685603667 /nfs/dbraw/zinc/60/36/67/685603667.db2.gz GTZGGLXQYWLIPJ-LBPRGKRZSA-N 0 0 307.350 0.932 50 0 DCAARN CC[C@@H]1NC(=O)[C@H]2CN(Cc3ccc(C)s3)CCN2C1=O ZINC000014741145 685048797 /nfs/dbraw/zinc/04/87/97/685048797.db2.gz QCAUVXATTBYPJG-QWHCGFSZSA-N 0 0 307.419 0.978 50 0 DCAARN O=C1[C@H]2CCCN2C(=O)[C@H]2CN(Cc3cccc(F)c3)CCN12 ZINC000014754539 685048961 /nfs/dbraw/zinc/04/89/61/685048961.db2.gz MZINYJGBZORLQB-HUUCEWRRSA-N 0 0 317.364 0.843 50 0 DCAARN O=C(Cc1ccc2c(c1)OCO2)N1Cc2cnn(CCO)c2C1 ZINC000067742910 685069617 /nfs/dbraw/zinc/06/96/17/685069617.db2.gz XCTXLFNUMBVLLJ-UHFFFAOYSA-N 0 0 315.329 0.689 50 0 DCAARN O=C(N[C@H]1CCNC1=O)c1cc(Cn2cnc3ccccc32)n[nH]1 ZINC000067697331 685069825 /nfs/dbraw/zinc/06/98/25/685069825.db2.gz AAABKAGMJXPJGN-LBPRGKRZSA-N 0 0 324.344 0.426 50 0 DCAARN Cc1[nH]nc(C2CC2)c1C(=O)N1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1 ZINC000071707735 685073730 /nfs/dbraw/zinc/07/37/30/685073730.db2.gz MNGBYCFVUSFQMI-RNJOBUHISA-N 0 0 305.378 0.799 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC(C(F)(F)F)CC1 ZINC000081315620 685082284 /nfs/dbraw/zinc/08/22/84/685082284.db2.gz HOWLROLSYPMCBT-QMMMGPOBSA-N 0 0 307.272 0.776 50 0 DCAARN C[C@H]1C(=O)N2CCC[C@@H]2CN1C(=O)c1[nH]nc2c1COCC2 ZINC001772706692 1157844886 /nfs/dbraw/zinc/84/48/86/1157844886.db2.gz UQZLNQRTXZMWQZ-VHSXEESVSA-N 0 0 304.350 0.318 50 0 DCAARN CCc1[nH]nc(C(=O)N2C[C@@H](Cc3cc(C)n[nH]3)[C@H](O)C2)c1C ZINC001704300309 1179964955 /nfs/dbraw/zinc/96/49/55/1179964955.db2.gz XPARCNPCGURARD-BXUZGUMPSA-N 0 0 317.393 0.988 50 0 DCAARN CO[C@@H]1C[C@H](C(=O)N2CCN(c3ncccn3)CC2)CC[C@@H]1O ZINC001704311693 1179969863 /nfs/dbraw/zinc/96/98/63/1179969863.db2.gz QPNMZZMMUOALRU-HZSPNIEDSA-N 0 0 320.393 0.301 50 0 DCAARN CCNc1ccnc(N2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)n1 ZINC001704312050 1179969922 /nfs/dbraw/zinc/96/99/22/1179969922.db2.gz XZHKXAAWVVZMRN-YPMHNXCESA-N 0 0 302.382 0.980 50 0 DCAARN CN(C)c1nc(N2CCN(CCn3cncn3)CC2)ncc1F ZINC001704326005 1179973803 /nfs/dbraw/zinc/97/38/03/1179973803.db2.gz SXSQLHQUKDTGGH-UHFFFAOYSA-N 0 0 320.376 0.095 50 0 DCAARN COc1ccc(C(=O)N2C[C@H](O)[C@H](Cc3cc(C)n[nH]3)C2)cn1 ZINC001704338832 1179977752 /nfs/dbraw/zinc/97/77/52/1179977752.db2.gz HBNYTRFSYSBIRB-OCCSQVGLSA-N 0 0 316.361 0.797 50 0 DCAARN Cc1cc(C[C@@H]2CN(c3ncccc3C(N)=O)C[C@H]2O)n[nH]1 ZINC001704339750 1179978755 /nfs/dbraw/zinc/97/87/55/1179978755.db2.gz LLFVMQQYANUGIV-ZWNOBZJWSA-N 0 0 301.350 0.252 50 0 DCAARN NS(=O)(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 ZINC001704341978 1179979148 /nfs/dbraw/zinc/97/91/48/1179979148.db2.gz AKWVGIQVEDXNNZ-BXUZGUMPSA-N 0 0 307.375 0.585 50 0 DCAARN Cc1ccncc1C(=O)N1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O ZINC001704343132 1179980576 /nfs/dbraw/zinc/98/05/76/1179980576.db2.gz TYRAHOFPCNGRPG-JKSUJKDBSA-N 0 0 320.389 0.897 50 0 DCAARN CCn1nccc1C(=O)N1C[C@@H](Cc2ccncc2)[C@H](O)C1 ZINC001704353770 1179982651 /nfs/dbraw/zinc/98/26/51/1179982651.db2.gz LIJQGZCCFQRPFI-UKRRQHHQSA-N 0 0 300.362 0.974 50 0 DCAARN Cn1nc(C(=O)NC2CC2)c2c1CN(C(=O)c1cccnn1)C2 ZINC000675008654 748024786 /nfs/dbraw/zinc/02/47/86/748024786.db2.gz HOKPBCHWDSRJGI-UHFFFAOYSA-N 0 0 312.333 0.258 50 0 DCAARN Cc1nc(CO[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)no1 ZINC000675017842 748026740 /nfs/dbraw/zinc/02/67/40/748026740.db2.gz ZIGGQLRSEWKWEF-SNVBAGLBSA-N 0 0 304.372 0.165 50 0 DCAARN COc1ccccc1CCC(=O)N1CC(n2cc(CO)nn2)C1 ZINC000675018079 748026754 /nfs/dbraw/zinc/02/67/54/748026754.db2.gz LDYPNKOXHSORIW-UHFFFAOYSA-N 0 0 316.361 0.795 50 0 DCAARN Cc1nnc2n1C[C@H]1CC[C@@H](C2)N1S(=O)(=O)c1cn(C)cn1 ZINC000675020434 748027636 /nfs/dbraw/zinc/02/76/36/748027636.db2.gz RSOVTGYCEGKJJN-WDEREUQCSA-N 0 0 322.394 0.098 50 0 DCAARN COCCn1nnnc1[C@@]1(N(C)C)CCN(C(=O)C2(C)CC2)C1 ZINC000675025705 748028808 /nfs/dbraw/zinc/02/88/08/748028808.db2.gz DPGCDGZVCWSAJY-OAHLLOKOSA-N 0 0 322.413 0.109 50 0 DCAARN CC[C@H](Cn1ccnc1)NC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC000822620010 758202749 /nfs/dbraw/zinc/20/27/49/758202749.db2.gz ZNHLRUMCCFDMEG-LLVKDONJSA-N 0 0 305.338 0.049 50 0 DCAARN CCCC[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1cnn(C)c1 ZINC000822831066 758210240 /nfs/dbraw/zinc/21/02/40/758210240.db2.gz HMHKVBGALFSJCT-LBPRGKRZSA-N 0 0 314.411 0.442 50 0 DCAARN CCCS(=O)(=O)NC[C@@H](c1ccccn1)N1CCOCC1 ZINC000822993531 758217614 /nfs/dbraw/zinc/21/76/14/758217614.db2.gz DXSGHTZWOUIYLO-AWEZNQCLSA-N 0 0 313.423 0.784 50 0 DCAARN CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2OC)C1 ZINC000823820098 758269926 /nfs/dbraw/zinc/26/99/26/758269926.db2.gz IMRSMJOGQKVUMP-LLVKDONJSA-N 0 0 312.391 0.760 50 0 DCAARN Cc1cc(C)nc(CN(C)S(=O)(=O)N2CCN(C)CC2)c1 ZINC000823791322 758275819 /nfs/dbraw/zinc/27/58/19/758275819.db2.gz ZSBUQYYIVHZZHH-UHFFFAOYSA-N 0 0 312.439 0.622 50 0 DCAARN COC[C@@H](C)[N@@H+]1CCCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000824339179 758767695 /nfs/dbraw/zinc/76/76/95/758767695.db2.gz PKTQOPVXSUGXFN-CQSZACIVSA-N 0 0 319.471 0.760 50 0 DCAARN Nc1nc(CNC(=O)c2ccccc2-c2nn[nH]n2)cs1 ZINC000827597867 758871006 /nfs/dbraw/zinc/87/10/06/758871006.db2.gz YIWVXODQNYXJCU-UHFFFAOYSA-N 0 0 301.335 0.835 50 0 DCAARN COCCOCc1nc([C@@H]2CCCN2C(=O)CCOC)no1 ZINC000581795501 760253904 /nfs/dbraw/zinc/25/39/04/760253904.db2.gz NRIOSTVLWAEFDZ-NSHDSACASA-N 0 0 313.354 0.933 50 0 DCAARN CCN(Cc1cnn(CC)c1)C(=O)[C@@H]1CCC(=O)N[C@@H]1COC ZINC000581813223 760253938 /nfs/dbraw/zinc/25/39/38/760253938.db2.gz MFWVSBOPVYQBNB-ZIAGYGMSSA-N 0 0 322.409 0.793 50 0 DCAARN CN(C[C@@H](O)C(F)(F)F)C1CN(c2ccc3nncn3n2)C1 ZINC000585592834 768081961 /nfs/dbraw/zinc/08/19/61/768081961.db2.gz UPODKCIHFANZEV-SECBINFHSA-N 0 0 316.287 0.168 50 0 DCAARN Cc1cc(NC(=O)C(=O)N2CCc3c2cc(F)cc3F)nn1C ZINC000585080655 766268099 /nfs/dbraw/zinc/26/80/99/766268099.db2.gz XWPDGMVFOVHATK-UHFFFAOYSA-N 0 0 320.299 1.535 50 0 DCAARN C[C@]1(C(=O)Nc2ccc3oc(C(N)=O)nc3c2)CCC(=O)NC1 ZINC000585128237 766290356 /nfs/dbraw/zinc/29/03/56/766290356.db2.gz WSRVBULOLVOPFA-HNNXBMFYSA-N 0 0 316.317 0.782 50 0 DCAARN Cn1nccc1C(=O)NC[C@@H]1CCCN(c2cnsn2)C1 ZINC000952862230 768922790 /nfs/dbraw/zinc/92/27/90/768922790.db2.gz NRADGQZIQKDBLY-JTQLQIEISA-N 0 0 306.395 0.918 50 0 DCAARN CC(C)(NC(=O)c1cccs1)C(=O)N1C[C@@H](O)[C@H](F)C1 ZINC000952871968 768933392 /nfs/dbraw/zinc/93/33/92/768933392.db2.gz FGXNGVNOPHOMNS-RKDXNWHRSA-N 0 0 300.355 0.798 50 0 DCAARN NS(=O)(=O)CCCc1nc(-c2ccc3c(c2)CCO3)no1 ZINC000952876627 768940040 /nfs/dbraw/zinc/94/00/40/768940040.db2.gz CYANZMPLASITEO-UHFFFAOYSA-N 0 0 309.347 0.893 50 0 DCAARN COc1cc(C)n(CCNC(=O)c2cccnc2OC)c(=O)c1 ZINC000238849726 769726150 /nfs/dbraw/zinc/72/61/50/769726150.db2.gz JEHVWBSFFACNTA-UHFFFAOYSA-N 0 0 317.345 0.999 50 0 DCAARN Cc1nonc1CC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 ZINC001529111409 1014496295 /nfs/dbraw/zinc/49/62/95/1014496295.db2.gz XSSSWJSXGCJJFC-GDBMZVCRSA-N 0 0 317.345 0.882 50 0 DCAARN O=C(NCC1CCOCC1)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC001529133838 1014503236 /nfs/dbraw/zinc/50/32/36/1014503236.db2.gz KFTGZBVMDLOSCX-CVEARBPZSA-N 0 0 318.373 0.786 50 0 DCAARN CCc1noc([C@@H]2CCCN2C(=O)CC[C@@H]2NC(=O)NC2=O)n1 ZINC001506413786 1017263257 /nfs/dbraw/zinc/26/32/57/1017263257.db2.gz VQSJMTYGUGBKME-IUCAKERBSA-N 0 0 321.337 0.284 50 0 DCAARN Cc1nnnn1-c1ccccc1C(=O)NCCN1CCOCC1 ZINC000095472481 185372728 /nfs/dbraw/zinc/37/27/28/185372728.db2.gz IVVKDPHMSCSUOL-UHFFFAOYSA-N 0 0 316.365 0.033 50 0 DCAARN COc1cccn(CC(=O)N2CC(n3nc(C)cc3C)C2)c1=O ZINC000095504387 185375280 /nfs/dbraw/zinc/37/52/80/185375280.db2.gz VFGQEMGIVPSSGX-UHFFFAOYSA-N 0 0 316.361 0.754 50 0 DCAARN CCCn1cc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)nn1 ZINC000095506685 185375622 /nfs/dbraw/zinc/37/56/22/185375622.db2.gz YWLNDAFVWOJQJQ-VIFPVBQESA-N 0 0 301.372 0.244 50 0 DCAARN C[C@@H]1CCN(CC(=O)N(C)CCc2noc(C3CC3)n2)C1=O ZINC000095509395 185375768 /nfs/dbraw/zinc/37/57/68/185375768.db2.gz RYYXIQLFYNIJEC-SNVBAGLBSA-N 0 0 306.366 0.816 50 0 DCAARN O=C(CN1C(=O)COc2cccnc21)N1CCC2(CCO2)CC1 ZINC000095517121 185376683 /nfs/dbraw/zinc/37/66/83/185376683.db2.gz MPMBVHPCQRIFMX-UHFFFAOYSA-N 0 0 317.345 0.589 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](Oc2cccnn2)C1 ZINC000225419074 201704736 /nfs/dbraw/zinc/70/47/36/201704736.db2.gz XUMAUXDVPDAEPL-LLVKDONJSA-N 0 0 324.362 0.923 50 0 DCAARN COc1cccn(CC(=O)N(C)CCCc2cnn(C)c2)c1=O ZINC000095529757 185378856 /nfs/dbraw/zinc/37/88/56/185378856.db2.gz SZAHOLDWVRXEMN-UHFFFAOYSA-N 0 0 318.377 0.682 50 0 DCAARN COC(=O)c1ccc(NC(=O)C(=O)NCC[C@@H](O)C2CC2)cc1 ZINC000077108445 185109475 /nfs/dbraw/zinc/10/94/75/185109475.db2.gz GNDKVHCTDYPSTA-CYBMUJFWSA-N 0 0 320.345 0.689 50 0 DCAARN COC(=O)c1ncn(Cc2cc(=O)n3cc(Cl)ccc3n2)n1 ZINC000078995399 185142992 /nfs/dbraw/zinc/14/29/92/185142992.db2.gz IJXJJOAGIVWXBW-UHFFFAOYSA-N 0 0 319.708 0.774 50 0 DCAARN CC(C)(O)CNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000079111342 185159110 /nfs/dbraw/zinc/15/91/10/185159110.db2.gz XMAPCSIINRUVFM-UHFFFAOYSA-N 0 0 302.334 0.698 50 0 DCAARN C[C@H](Cn1cncn1)NC(=O)NCc1csc(N(C)C)n1 ZINC000083214323 185220084 /nfs/dbraw/zinc/22/00/84/185220084.db2.gz ZQGCYTXLOGHRQG-SECBINFHSA-N 0 0 309.399 0.689 50 0 DCAARN CSc1ncc(C=CC(=O)NCc2cc(=O)[nH]c(C)n2)cn1 ZINC000082039634 192353374 /nfs/dbraw/zinc/35/33/74/192353374.db2.gz YPBYEDXQJNJVQU-ONEGZZNKSA-N 0 0 317.374 0.920 50 0 DCAARN COC[C@@H](C)NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000006728777 190623484 /nfs/dbraw/zinc/62/34/84/190623484.db2.gz IFIRBRPIWCEQNI-SNVBAGLBSA-N 0 0 300.380 0.847 50 0 DCAARN COCC(=O)NCCS(=O)(=O)N1CCc2ccccc2C1 ZINC000010704893 190633780 /nfs/dbraw/zinc/63/37/80/190633780.db2.gz JSPCFZHALJYDIA-UHFFFAOYSA-N 0 0 312.391 0.137 50 0 DCAARN COC(=O)Cn1ncc2c1ncnc2N(C)Cc1ncc[nH]1 ZINC000095398673 185353484 /nfs/dbraw/zinc/35/34/84/185353484.db2.gz ZDMQQWRQLBBAFU-UHFFFAOYSA-N 0 0 301.310 0.359 50 0 DCAARN O=C1[C@H](n2nc3ccccn3c2=O)CCN1CC(F)(F)F ZINC000097002198 185396410 /nfs/dbraw/zinc/39/64/10/185396410.db2.gz CGFAWYSKXDXKME-MRVPVSSYSA-N 0 0 300.240 0.832 50 0 DCAARN Cc1cc(F)c(S(=O)(=O)N2CCN(CCO)CC2)cc1F ZINC000095432848 185363696 /nfs/dbraw/zinc/36/36/96/185363696.db2.gz WTEIGQDSVVYDAL-UHFFFAOYSA-N 0 0 320.361 0.572 50 0 DCAARN Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2O)c(C)c1 ZINC000095450341 185368606 /nfs/dbraw/zinc/36/86/06/185368606.db2.gz KXTZSQLRFBRADN-PWSUYJOCSA-N 0 0 304.389 0.235 50 0 DCAARN Cn1nc2c(cc1=O)CN(C(=O)C(F)(F)C1(O)CCC1)CC2 ZINC000095449858 185368844 /nfs/dbraw/zinc/36/88/44/185368844.db2.gz VHJVPURGGFQMFK-UHFFFAOYSA-N 0 0 313.304 0.215 50 0 DCAARN O=C(c1ccn(-c2cccc(F)c2)n1)N1C[C@@H](O)C[C@H]1CO ZINC000095451182 185368957 /nfs/dbraw/zinc/36/89/57/185368957.db2.gz YTMYLIMPJBIVMX-STQMWFEESA-N 0 0 305.309 0.579 50 0 DCAARN C[C@@H](CNC(=O)Nc1ccc2c(c1)OCCO2)S(N)(=O)=O ZINC000095453715 185369509 /nfs/dbraw/zinc/36/95/09/185369509.db2.gz XYRXKXBEPAIJHO-QMMMGPOBSA-N 0 0 315.351 0.256 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)OCCOc1ccccc1Cl ZINC000095466493 185371834 /nfs/dbraw/zinc/37/18/34/185371834.db2.gz WSRFGDMCYXFHRX-VIFPVBQESA-N 0 0 312.709 0.860 50 0 DCAARN COC(=O)[C@H](CO)NS(=O)(=O)/C=C/c1ccccc1Cl ZINC000095461844 185371077 /nfs/dbraw/zinc/37/10/77/185371077.db2.gz PSAQRVGUABWCMC-MLRMMBSGSA-N 0 0 319.766 0.764 50 0 DCAARN CN(C)c1ncnc2c1CCN(C(=O)COC[C@@H]1CCCO1)C2 ZINC000299754899 529816570 /nfs/dbraw/zinc/81/65/70/529816570.db2.gz BSWIRRGLFRIXFV-LBPRGKRZSA-N 0 0 320.393 0.623 50 0 DCAARN COC(=O)c1c[nH]nc1S(=O)(=O)N(C)c1ccc(C)cc1 ZINC000102921948 185426389 /nfs/dbraw/zinc/42/63/89/185426389.db2.gz CLCRSEAEATYPCU-NSHDSACASA-N 0 0 309.347 0.948 50 0 DCAARN Cc1ccc(NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c(=O)[nH]1 ZINC000170594662 197782269 /nfs/dbraw/zinc/78/22/69/197782269.db2.gz CMCNABGNMAPQTA-JTQLQIEISA-N 0 0 315.395 0.998 50 0 DCAARN CN1C[C@H](C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC1=O ZINC000069809392 190820937 /nfs/dbraw/zinc/82/09/37/190820937.db2.gz AGJQKQYFMWKQGQ-SNVBAGLBSA-N 0 0 313.398 0.884 50 0 DCAARN Cn1c(=O)c2c(NC(=O)c3cccs3)ccnc2n(C)c1=O ZINC000013011033 282556664 /nfs/dbraw/zinc/55/66/64/282556664.db2.gz XOMLEPRVWLSEDU-UHFFFAOYSA-N 0 0 316.342 0.946 50 0 DCAARN COC(=O)[C@H](NC(=O)c1ccc(F)cc1-n1cnnn1)C(C)C ZINC000080356275 192151588 /nfs/dbraw/zinc/15/15/88/192151588.db2.gz PMBUIMNEEFGZKZ-GFCCVEGCSA-N 0 0 321.312 0.729 50 0 DCAARN O=C(c1cc2sccc2[nH]1)N1C[C@H](O)[C@@H](N2CCOCC2)C1 ZINC000071738785 191019805 /nfs/dbraw/zinc/01/98/05/191019805.db2.gz RHIKMKKNXNVXIP-STQMWFEESA-N 0 0 321.402 0.747 50 0 DCAARN O=C1CNC(=O)[C@@H]2CN(c3nccc(C4CCCC4)n3)CCN12 ZINC000071747785 191020390 /nfs/dbraw/zinc/02/03/90/191020390.db2.gz QQMZJRJSXWTQNB-ZDUSSCGKSA-N 0 0 315.377 0.281 50 0 DCAARN Cc1cnccc1CN(C)C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000071748711 191020616 /nfs/dbraw/zinc/02/06/16/191020616.db2.gz KHFWDGMJTLBCFP-ZDUSSCGKSA-N 0 0 311.407 0.772 50 0 DCAARN Cn1cccc1-c1cc(C(=O)N2CCc3c(nc[nH]c3=O)C2)[nH]n1 ZINC000071750267 191021608 /nfs/dbraw/zinc/02/16/08/191021608.db2.gz PGWXIBNWLSCTGI-UHFFFAOYSA-N 0 0 324.344 0.697 50 0 DCAARN Cc1cc(C)n(CCCC(=O)N2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)n1 ZINC000071763856 191026978 /nfs/dbraw/zinc/02/69/78/191026978.db2.gz OCWIOPVKAPOQEK-SYMSYNOKSA-N 0 0 321.421 0.870 50 0 DCAARN NC(=O)CN1CCCN(C(=O)c2cnc3ccccc3n2)CC1 ZINC000071829370 191030661 /nfs/dbraw/zinc/03/06/61/191030661.db2.gz VIIKGUAUCDPGTB-UHFFFAOYSA-N 0 0 313.361 0.263 50 0 DCAARN O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC[C@H](CO)[C@H](O)C1 ZINC000072144741 191050936 /nfs/dbraw/zinc/05/09/36/191050936.db2.gz SZIGOXNXQJDZER-UKRRQHHQSA-N 0 0 301.346 0.892 50 0 DCAARN O=C([C@@H]1CN(c2ncnc3[nH]ccc32)CCN1)N1CCCC1 ZINC000072153132 191056869 /nfs/dbraw/zinc/05/68/69/191056869.db2.gz MSTTXQBGLHHGOL-LBPRGKRZSA-N 0 0 300.366 0.359 50 0 DCAARN CC(C)c1nc2c(cnn2C)c(N2CCS(=O)(=O)CC2)n1 ZINC000072153664 191057696 /nfs/dbraw/zinc/05/76/96/191057696.db2.gz SXPUIRKPAZWZEK-UHFFFAOYSA-N 0 0 309.395 0.722 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cnn2ccccc12 ZINC000072154759 191059252 /nfs/dbraw/zinc/05/92/52/191059252.db2.gz XDFLKAPLVRJQHT-ZDUSSCGKSA-N 0 0 322.390 0.375 50 0 DCAARN Cc1n[nH]c(CCC(=O)N2CCc3c(nc[nH]c3=O)C2)c1C ZINC000072158932 191061808 /nfs/dbraw/zinc/06/18/08/191061808.db2.gz GBEFNXAZGNDBGS-UHFFFAOYSA-N 0 0 301.350 0.627 50 0 DCAARN CCOCC(=O)N1CCc2c(ncnc2N2CCOCC2)C1 ZINC000072167806 191067412 /nfs/dbraw/zinc/06/74/12/191067412.db2.gz OYISXHKASQEOJR-UHFFFAOYSA-N 0 0 306.366 0.234 50 0 DCAARN O=C(CCc1[nH]nc2c1CCCC2)N1CCC[C@](O)(CO)CC1 ZINC000072169900 191068821 /nfs/dbraw/zinc/06/88/21/191068821.db2.gz VJWILBWKAWJTPS-QGZVFWFLSA-N 0 0 321.421 0.957 50 0 DCAARN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCN(C)CC2)o1 ZINC000072239858 191084333 /nfs/dbraw/zinc/08/43/33/191084333.db2.gz BLCCAORTIRQIJI-AWEZNQCLSA-N 0 0 305.378 0.853 50 0 DCAARN CN1C(=O)CO[C@@H](C(=O)NCCO)[C@@H]1c1ccc(Cl)cc1 ZINC000072241297 191084930 /nfs/dbraw/zinc/08/49/30/191084930.db2.gz SVTPADNBVXSQMP-QWHCGFSZSA-N 0 0 312.753 0.347 50 0 DCAARN CC(C)[C@@H](C(=O)N[C@@H]1CCc2nccn2C1)N1CCCC1=O ZINC000072279408 191100273 /nfs/dbraw/zinc/10/02/73/191100273.db2.gz KOFBUVNECNZJSO-DOMZBBRYSA-N 0 0 304.394 0.961 50 0 DCAARN Cc1cc(-c2ccncc2)nn1CCNS(=O)(=O)N(C)C ZINC000225577169 186279819 /nfs/dbraw/zinc/27/98/19/186279819.db2.gz IOHSQRPYYDAYIT-UHFFFAOYSA-N 0 0 309.395 0.650 50 0 DCAARN CCc1cc(=O)n2nc(N(CC)[C@@H]3CCNC3=O)sc2n1 ZINC000225646387 186286859 /nfs/dbraw/zinc/28/68/59/186286859.db2.gz MMIVAMSLTMSPAN-SECBINFHSA-N 0 0 307.379 0.428 50 0 DCAARN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2C(=O)Cc2cnn(C)c2)O1 ZINC000253392776 186303795 /nfs/dbraw/zinc/30/37/95/186303795.db2.gz RVVWRGOKKNGJGG-GHYVTOPFSA-N 0 0 321.377 0.673 50 0 DCAARN O=C1CO[C@H]2CCN(Cc3ncnn3-c3ccccc3)C[C@@H]2N1 ZINC000253396717 186305527 /nfs/dbraw/zinc/30/55/27/186305527.db2.gz AXYCLZXPBSSYGR-KBPBESRZSA-N 0 0 313.361 0.357 50 0 DCAARN Cc1c(C(=O)OCc2ccccc2)nnn1-c1nonc1N ZINC000000063663 180681284 /nfs/dbraw/zinc/68/12/84/180681284.db2.gz MYIYXJGHGYOALD-UHFFFAOYSA-N 0 0 300.278 0.898 50 0 DCAARN CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCCCC1 ZINC000000051140 180678193 /nfs/dbraw/zinc/67/81/93/180678193.db2.gz HYPBVCMGNXWGBJ-UHFFFAOYSA-N 0 0 321.341 0.395 50 0 DCAARN Cc1cc(C)cc(C(=O)N2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000072422584 191157878 /nfs/dbraw/zinc/15/78/78/191157878.db2.gz GHKVGHIXXNXRDW-CABCVRRESA-N 0 0 322.430 0.857 50 0 DCAARN O=C(c1ccc[nH]1)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000072426439 191159850 /nfs/dbraw/zinc/15/98/50/191159850.db2.gz XDLVSHCCTORKNV-KGLIPLIRSA-N 0 0 323.418 0.348 50 0 DCAARN COc1ccc(C[N@@H+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)cc1OC ZINC000072426242 191160490 /nfs/dbraw/zinc/16/04/90/191160490.db2.gz IWXKQNSUVIAYEX-MEDUHNTESA-N 0 0 320.345 0.336 50 0 DCAARN Cn1ncc2c1nc(-c1ccncc1)nc2N1CCCNC(=O)C1 ZINC000072430948 191162310 /nfs/dbraw/zinc/16/23/10/191162310.db2.gz NVFOKQXCEMRSDR-UHFFFAOYSA-N 0 0 323.360 0.752 50 0 DCAARN O=C(Nc1cccc2c1CCC2)[C@H]1CN(C(CO)CO)CCO1 ZINC000072430233 191162329 /nfs/dbraw/zinc/16/23/29/191162329.db2.gz LPBNQZQEIKCHGU-MRXNPFEDSA-N 0 0 320.389 0.168 50 0 DCAARN CC(C)CN1CCN(Cc2ncc[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072435100 191166583 /nfs/dbraw/zinc/16/65/83/191166583.db2.gz JVWZXMKIRCGROL-OLZOCXBDSA-N 0 0 312.439 0.349 50 0 DCAARN O=C([C@H]1COCCO1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000072430971 191163226 /nfs/dbraw/zinc/16/32/26/191163226.db2.gz AZUHMCIJZIZXDM-OAHLLOKOSA-N 0 0 308.353 0.885 50 0 DCAARN CC(=O)C1(c2ccccc2)CCN(C(=O)Cn2cnnn2)CC1 ZINC000072453524 191171901 /nfs/dbraw/zinc/17/19/01/191171901.db2.gz CYWBQBRVSFXJNQ-UHFFFAOYSA-N 0 0 313.361 0.823 50 0 DCAARN Cc1ccccc1CN1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000072462869 191173127 /nfs/dbraw/zinc/17/31/27/191173127.db2.gz KCXUHAXDFYCKGE-HNNXBMFYSA-N 0 0 316.405 0.663 50 0 DCAARN COC(=O)c1n[nH]cc1CN1CCC[C@]2(CN(C)C(=O)O2)C1 ZINC000072457021 191173457 /nfs/dbraw/zinc/17/34/57/191173457.db2.gz SVGGUWZLZXRDKP-AWEZNQCLSA-N 0 0 308.338 0.613 50 0 DCAARN O=C(NCCc1nc2c(s1)CCC2)[C@@H]1NCCc2nc[nH]c21 ZINC000072477311 191179790 /nfs/dbraw/zinc/17/97/90/191179790.db2.gz JPJNJGUOXDXJSO-CQSZACIVSA-N 0 0 317.418 0.901 50 0 DCAARN CC(=O)c1cccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000000423283 180784598 /nfs/dbraw/zinc/78/45/98/180784598.db2.gz CKFIRKHHZBVQFC-UHFFFAOYSA-N 0 0 323.330 0.375 50 0 DCAARN Cn1cc(C[C@H]2CC(=O)N(CC(=O)c3cccn3C)C2=O)cn1 ZINC000173471651 198218539 /nfs/dbraw/zinc/21/85/39/198218539.db2.gz HNXALFWJPYJOAV-LBPRGKRZSA-N 0 0 314.345 0.559 50 0 DCAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1C(N)=O ZINC000000991135 180839210 /nfs/dbraw/zinc/83/92/10/180839210.db2.gz FEHKHSJOXCVTHS-GHMZBOCLSA-N 0 0 312.391 0.892 50 0 DCAARN CCOC(=O)NC(=O)c1cn(C2CCCCC2)c(=O)[nH]c1=O ZINC000001622438 180880037 /nfs/dbraw/zinc/88/00/37/180880037.db2.gz DKCNIRWUYNCKKU-UHFFFAOYSA-N 0 0 309.322 0.928 50 0 DCAARN CCCCCN(C(=O)NC(=O)NCCOC)S(C)(=O)=O ZINC000003215031 180992540 /nfs/dbraw/zinc/99/25/40/180992540.db2.gz QXBYOMFVBAOHAL-UHFFFAOYSA-N 0 0 309.388 0.504 50 0 DCAARN Nn1c(SCC(=O)N2CCOCC2)nnc1-c1ccco1 ZINC000003366274 181012400 /nfs/dbraw/zinc/01/24/00/181012400.db2.gz SZPHOLKPHIMCEC-UHFFFAOYSA-N 0 0 309.351 0.203 50 0 DCAARN CCOC(=O)C1=C2C(=O)N(Cc3ccccc3)C(=O)C2NN1 ZINC000004031278 181065235 /nfs/dbraw/zinc/06/52/35/181065235.db2.gz PXMBNSUKLTVWHM-GHMZBOCLSA-N 0 0 301.302 0.063 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccccc3OC)C(=O)[C@@]2(C)NN1 ZINC000004104484 181073509 /nfs/dbraw/zinc/07/35/09/181073509.db2.gz KTUDKOHEPGQTPA-BMIGLBTASA-N 0 0 317.301 0.076 50 0 DCAARN Cc1c(NC(=S)NCCO)c(=O)n(-c2ccccc2)n1C ZINC000004071263 181069419 /nfs/dbraw/zinc/06/94/19/181069419.db2.gz VWZJYLUXJOHNIW-UHFFFAOYSA-N 0 0 306.391 0.763 50 0 DCAARN CCCNC(=O)CSc1nnc2[nH]c(=O)cc(CCC)n21 ZINC000004250293 181087931 /nfs/dbraw/zinc/08/79/31/181087931.db2.gz BBJSTGKFJVPUAO-UHFFFAOYSA-N 0 0 309.395 0.988 50 0 DCAARN COc1cccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1OC ZINC000004504493 181116932 /nfs/dbraw/zinc/11/69/32/181116932.db2.gz XVWYWLFGJUYDRF-SNVBAGLBSA-N 0 0 313.375 0.963 50 0 DCAARN CCCNC(=O)NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000004515247 181118371 /nfs/dbraw/zinc/11/83/71/181118371.db2.gz RTJYWGPGWKYVFQ-BMIGLBTASA-N 0 0 324.381 0.723 50 0 DCAARN Cn1nnnc1NC(=O)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000004742926 181146005 /nfs/dbraw/zinc/14/60/05/181146005.db2.gz IFFUQPRRRYKAKP-UHFFFAOYSA-N 0 0 308.685 0.410 50 0 DCAARN Cc1ccccc1C(=O)NC(=S)N[C@H]1CCS(=O)(=O)C1 ZINC000004756042 181149023 /nfs/dbraw/zinc/14/90/23/181149023.db2.gz RFUAQDJKGIRBRF-JTQLQIEISA-N 0 0 312.416 0.786 50 0 DCAARN CCc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2=O)s1 ZINC000287390684 219495418 /nfs/dbraw/zinc/49/54/18/219495418.db2.gz NXNACWNWWLGRQU-QMMMGPOBSA-N 0 0 302.377 0.346 50 0 DCAARN CCOc1ccc(S(=O)(=O)N(C)CC(N)=O)cc1Cl ZINC000004838414 181159906 /nfs/dbraw/zinc/15/99/06/181159906.db2.gz FQRVIKPCKMOJPG-UHFFFAOYSA-N 0 0 306.771 0.845 50 0 DCAARN COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NC1CC1 ZINC000004867390 181165818 /nfs/dbraw/zinc/16/58/18/181165818.db2.gz VVFYCAFFBUTICS-JTQLQIEISA-N 0 0 312.391 0.949 50 0 DCAARN COC(=O)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1 ZINC000004871321 181167251 /nfs/dbraw/zinc/16/72/51/181167251.db2.gz ZUAGMAQEPXMFPB-UHFFFAOYSA-N 0 0 321.285 0.843 50 0 DCAARN Nc1nc(N)nc(SCC(=O)NCCc2ccc(F)cc2)n1 ZINC000004921093 181173165 /nfs/dbraw/zinc/17/31/65/181173165.db2.gz AQWYCGSZAMOCKM-UHFFFAOYSA-N 0 0 322.369 0.626 50 0 DCAARN CCOC(=O)[C@H](C)Sc1ccnc2c1c(=O)n(C)c(=O)n2C ZINC000004942224 181176602 /nfs/dbraw/zinc/17/66/02/181176602.db2.gz CMCPVDGSSIJUQF-QMMMGPOBSA-N 0 0 323.374 0.676 50 0 DCAARN Cc1noc2nc(C)cc(C(=O)N3CCN(CCO)CC3)c12 ZINC000075572212 191493794 /nfs/dbraw/zinc/49/37/94/191493794.db2.gz VASCSFYZUXPHKO-UHFFFAOYSA-N 0 0 304.350 0.590 50 0 DCAARN COC(CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)OC ZINC000005026354 181192109 /nfs/dbraw/zinc/19/21/09/181192109.db2.gz JWMVCMNPOBWADV-UHFFFAOYSA-N 0 0 316.335 0.029 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)[nH]1 ZINC000076045169 191561283 /nfs/dbraw/zinc/56/12/83/191561283.db2.gz LOLZTFBUCZCOKH-LBPRGKRZSA-N 0 0 304.354 0.690 50 0 DCAARN CC(=O)N1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1 ZINC000077393561 191707509 /nfs/dbraw/zinc/70/75/09/191707509.db2.gz OGPDORAJDMUZFT-UHFFFAOYSA-N 0 0 321.425 0.498 50 0 DCAARN CCN1C(=O)C(=O)N(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C1=O ZINC000005230801 181219151 /nfs/dbraw/zinc/21/91/51/181219151.db2.gz RUGJUZZZZZNVJE-UHFFFAOYSA-N 0 0 319.317 0.828 50 0 DCAARN COc1ccc2[nH]cc(CCNc3nnc(C)c(=O)n3N)c2c1 ZINC000005274820 181225948 /nfs/dbraw/zinc/22/59/48/181225948.db2.gz DYHWBIMWUZAMRZ-UHFFFAOYSA-N 0 0 314.349 0.805 50 0 DCAARN O=C(NCc1ccncc1)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000005352945 181233677 /nfs/dbraw/zinc/23/36/77/181233677.db2.gz FJUDYGSQQADEOO-CYBMUJFWSA-N 0 0 319.361 0.500 50 0 DCAARN CC(C)NC(=O)NCc1ccc(C(=O)O[C@@H](C)C(N)=O)cc1 ZINC000005562288 181258057 /nfs/dbraw/zinc/25/80/57/181258057.db2.gz ZZDLSSUBLNWLHP-JTQLQIEISA-N 0 0 307.350 0.925 50 0 DCAARN COC(=O)CNC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O ZINC000036597276 291087862 /nfs/dbraw/zinc/08/78/62/291087862.db2.gz JYVCLRKPMOCKPP-LLVKDONJSA-N 0 0 319.317 0.456 50 0 DCAARN CCc1nc(C)c([C@@H](C)N(C)C(=O)CN2CCNCC2=O)s1 ZINC000237030439 202129221 /nfs/dbraw/zinc/12/92/21/202129221.db2.gz LKETWYHVBANXQP-LLVKDONJSA-N 0 0 324.450 0.965 50 0 DCAARN COC(=O)C[C@H](NS(C)(=O)=O)c1ccc2c(c1)OCO2 ZINC000005879459 181292333 /nfs/dbraw/zinc/29/23/33/181292333.db2.gz QQPJDMQGOXBYSP-VIFPVBQESA-N 0 0 301.320 0.569 50 0 DCAARN COC(=O)C[C@@H]1CN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CCO1 ZINC000408524803 291126201 /nfs/dbraw/zinc/12/62/01/291126201.db2.gz ZLCKCUPZTOSEGQ-YIYPIFLZSA-N 0 0 310.394 0.698 50 0 DCAARN COc1cccc(CC(=O)N2CC[NH+]([C@@H](C)C(=O)[O-])CC2)c1 ZINC000237372196 202247159 /nfs/dbraw/zinc/24/71/59/202247159.db2.gz RSMHSBCMTBMIFT-LBPRGKRZSA-N 0 0 306.362 0.855 50 0 DCAARN Cn1ccc2ccc(NCC(=O)N3CCOCC3)cc2c1=O ZINC000240333266 202455595 /nfs/dbraw/zinc/45/55/95/202455595.db2.gz FCOCAEYKUWMWPB-UHFFFAOYSA-N 0 0 301.346 0.809 50 0 DCAARN NS(=O)(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000013151703 283538715 /nfs/dbraw/zinc/53/87/15/283538715.db2.gz YPFHKBFGEADHCD-VXGBXAGGSA-N 0 0 306.343 0.790 50 0 DCAARN O=C(O[C@@H]1CCOC1=O)c1cccnc1S[C@H]1CCOC1=O ZINC000006012549 181306102 /nfs/dbraw/zinc/30/61/02/181306102.db2.gz CUZYBWCXMIFJOX-ZJUUUORDSA-N 0 0 323.326 0.962 50 0 DCAARN COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000276887368 238328848 /nfs/dbraw/zinc/32/88/48/238328848.db2.gz CXNACPCZUDOHDX-SNVBAGLBSA-N 0 0 323.317 0.556 50 0 DCAARN COc1cc(N2CCN(Cc3ccnc(N)c3)CC2)ncn1 ZINC000193556749 201074250 /nfs/dbraw/zinc/07/42/50/201074250.db2.gz RVKWEBQPOQJLGA-UHFFFAOYSA-N 0 0 300.366 0.785 50 0 DCAARN CC(C)N1C(=O)C(=O)N(CC(=O)N[C@H]2CCCC[C@H]2C)C1=O ZINC000006435892 181340506 /nfs/dbraw/zinc/34/05/06/181340506.db2.gz XYVWXIVTLJBTEE-MNOVXSKESA-N 0 0 309.366 0.881 50 0 DCAARN Cn1cc(Br)c(=O)n(CC[C@@H]2CCCO2)c1=O ZINC000408518482 239271422 /nfs/dbraw/zinc/27/14/22/239271422.db2.gz KAQXSLJQOOISEF-QMMMGPOBSA-N 0 0 303.156 0.879 50 0 DCAARN CC(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000006509791 181347956 /nfs/dbraw/zinc/34/79/56/181347956.db2.gz LQYZNBAYOJMRHS-UHFFFAOYSA-N 0 0 310.375 0.394 50 0 DCAARN CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1COc2ccccc2O1 ZINC000006612360 181360991 /nfs/dbraw/zinc/36/09/91/181360991.db2.gz OKAPATYHJOVFJD-BXKDBHETSA-N 0 0 322.317 0.604 50 0 DCAARN CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)CN(C)C2=O)c1C ZINC000006617540 181361589 /nfs/dbraw/zinc/36/15/89/181361589.db2.gz VPDDAZQHCIOQJA-UHFFFAOYSA-N 0 0 321.333 0.885 50 0 DCAARN CC1(C)Cc2c(sc(NC(=O)NCCO)c2C(N)=O)CO1 ZINC000006662882 181367206 /nfs/dbraw/zinc/36/72/06/181367206.db2.gz WQRPNPHTKSTTSW-UHFFFAOYSA-N 0 0 313.379 0.812 50 0 DCAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NC[C@H]1CCCO1 ZINC000006697097 181371635 /nfs/dbraw/zinc/37/16/35/181371635.db2.gz PFQZYPVEJLRBHM-UPJWGTAASA-N 0 0 306.362 0.623 50 0 DCAARN COC[C@]1(O)CCN(C(=O)c2ccc3nnnn3c2)CC1(C)C ZINC000091365125 193046114 /nfs/dbraw/zinc/04/61/14/193046114.db2.gz AOSMXUJXCALUHF-OAHLLOKOSA-N 0 0 319.365 0.374 50 0 DCAARN O=C([O-])[C@@H]1CC(=O)NC12CC[NH+](CCCn1cccn1)CC2 ZINC000091411462 193051384 /nfs/dbraw/zinc/05/13/84/193051384.db2.gz ARNOVCNIQSYJIS-LBPRGKRZSA-N 0 0 306.366 0.329 50 0 DCAARN Cc1cc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3O)c(=O)[nH]c1C ZINC000091526495 193069371 /nfs/dbraw/zinc/06/93/71/193069371.db2.gz LDVSMRNIIGXTAO-BETUJISGSA-N 0 0 306.362 0.340 50 0 DCAARN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cn1cccnc1=O)CC2 ZINC000091547100 193071311 /nfs/dbraw/zinc/07/13/11/193071311.db2.gz RTZVVIPHMGQHOZ-OLZOCXBDSA-N 0 0 321.377 0.022 50 0 DCAARN Cc1noc([C@H]2CCC(=O)N(CCCN3CCOCC3)C2)n1 ZINC000091563320 193073890 /nfs/dbraw/zinc/07/38/90/193073890.db2.gz GKDGLYHQODMURS-ZDUSSCGKSA-N 0 0 308.382 0.806 50 0 DCAARN O=C(C1CCC1)N1CC[C@]2(O)CCN(Cc3c[nH]cn3)C[C@@H]2C1 ZINC000091594245 193077719 /nfs/dbraw/zinc/07/77/19/193077719.db2.gz WFLILCYQRDDERQ-RHSMWYFYSA-N 0 0 318.421 0.995 50 0 DCAARN CS(=O)(=O)Cc1ccc(N2CC[C@@]3(C2)CCCNC3=O)nc1 ZINC000091459847 193059674 /nfs/dbraw/zinc/05/96/74/193059674.db2.gz DNFPNUQBIDYUSX-OAHLLOKOSA-N 0 0 323.418 0.733 50 0 DCAARN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)CCc1[nH]c(O)nc1O ZINC000091468823 193060779 /nfs/dbraw/zinc/06/07/79/193060779.db2.gz NVZNUHFJNPVOEU-JTQLQIEISA-N 0 0 321.381 0.654 50 0 DCAARN O=C(CN1C(=O)CNC1=O)N1CCC(CCn2cccn2)CC1 ZINC000091655901 193086139 /nfs/dbraw/zinc/08/61/39/193086139.db2.gz GOROKBAJOGFNJV-UHFFFAOYSA-N 0 0 319.365 0.064 50 0 DCAARN COCCc1noc(CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)n1 ZINC000091665838 193087941 /nfs/dbraw/zinc/08/79/41/193087941.db2.gz FUWCUODDWYHCLD-JTQLQIEISA-N 0 0 324.381 0.522 50 0 DCAARN COCCN1CCC[C@]2(CCN(C(=O)c3ccnn3C)C2)C1=O ZINC000091725659 193097767 /nfs/dbraw/zinc/09/77/67/193097767.db2.gz SMJZWWYGIYNDEP-MRXNPFEDSA-N 0 0 320.393 0.521 50 0 DCAARN CC[C@H](C(=O)N1CCN(c2cnccn2)CC1)n1cccn1 ZINC000091625052 193080578 /nfs/dbraw/zinc/08/05/78/193080578.db2.gz XQGPPYYMAVZQKS-CYBMUJFWSA-N 0 0 300.366 0.973 50 0 DCAARN CCN1C[C@@H](C(=O)N2CCCN(c3ncccn3)CC2)CC1=O ZINC000091808251 193111422 /nfs/dbraw/zinc/11/14/22/193111422.db2.gz WACMDSUMATVOEG-ZDUSSCGKSA-N 0 0 317.393 0.384 50 0 DCAARN COc1cccc(-c2cc(C(=O)NCCS(C)(=O)=O)[nH]n2)c1 ZINC000091896033 193124376 /nfs/dbraw/zinc/12/43/76/193124376.db2.gz ONVNBQFPUDDPGQ-UHFFFAOYSA-N 0 0 323.374 0.860 50 0 DCAARN CS(=O)(=O)N[C@H]1CN(C(=O)c2ccnc(N)c2)C[C@@H]1C1CC1 ZINC000091914781 193126043 /nfs/dbraw/zinc/12/60/43/193126043.db2.gz KJPOOYCGJYEOJB-NEPJUHHUSA-N 0 0 324.406 0.064 50 0 DCAARN Cc1nnnn1CCC(=O)N1CCC(CN2CCCC2=O)CC1 ZINC000091933215 193128568 /nfs/dbraw/zinc/12/85/68/193128568.db2.gz BRGZVPKZPLWLQB-UHFFFAOYSA-N 0 0 320.397 0.233 50 0 DCAARN O=C(CN1C(=O)CNC1=O)NCCCn1ncc2ccccc21 ZINC000091951764 193130843 /nfs/dbraw/zinc/13/08/43/193130843.db2.gz ACRWXTSZUARYRS-UHFFFAOYSA-N 0 0 315.333 0.094 50 0 DCAARN COC(=O)[C@H](NC(=O)CCCN(C)C(=O)OC)c1cccnc1 ZINC000496326951 241243151 /nfs/dbraw/zinc/24/31/51/241243151.db2.gz PVQJIKFAMDGAPY-CYBMUJFWSA-N 0 0 323.349 0.890 50 0 DCAARN Cc1nc(N)ncc1C(=O)N1CCC(c2ccnc(N)n2)CC1 ZINC000216363501 201490092 /nfs/dbraw/zinc/49/00/92/201490092.db2.gz ZQDWVBUCSGPVOA-UHFFFAOYSA-N 0 0 313.365 0.759 50 0 DCAARN COCCN1C[C@H](NC(=O)Cc2cccc(F)c2F)CC1=O ZINC000218991577 201547343 /nfs/dbraw/zinc/54/73/43/201547343.db2.gz FJHIPUUDOCIPFH-LLVKDONJSA-N 0 0 312.316 0.871 50 0 DCAARN Cn1nc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)ccc1=O ZINC000219381357 201556234 /nfs/dbraw/zinc/55/62/34/201556234.db2.gz BKXDQQTTZMXLOC-OLZOCXBDSA-N 0 0 307.350 0.094 50 0 DCAARN CCc1csc(CNC(=O)[C@H]2CCc3nn(C)c(=O)n3C2)n1 ZINC000219577131 201559827 /nfs/dbraw/zinc/55/98/27/201559827.db2.gz GUOYPIVWVYQFNK-VIFPVBQESA-N 0 0 321.406 0.480 50 0 DCAARN CCOc1ccc(S(=O)(=O)N2CCCn3ncnc32)cn1 ZINC000253419383 202877939 /nfs/dbraw/zinc/87/79/39/202877939.db2.gz RJXDYXSZTALSID-UHFFFAOYSA-N 0 0 309.351 0.671 50 0 DCAARN Cn1nnnc1SCC(=O)Nc1cnn(C2CCOCC2)c1 ZINC000096123321 193546181 /nfs/dbraw/zinc/54/61/81/193546181.db2.gz WSYWYDKOWSWVOO-UHFFFAOYSA-N 0 0 323.382 0.489 50 0 DCAARN Cc1ccc2[nH]c(=O)cc(C(=O)N3CC[C@@](C)(O)[C@@H](O)C3)c2c1 ZINC000096163790 193558952 /nfs/dbraw/zinc/55/89/52/193558952.db2.gz DXWUWMFFEDJQHB-WMLDXEAASA-N 0 0 316.357 0.794 50 0 DCAARN CCCS(=O)(=O)CCN1CCN(c2nc(C)ns2)CC1 ZINC000096452036 193653532 /nfs/dbraw/zinc/65/35/32/193653532.db2.gz KRRDSPITKDPBGD-UHFFFAOYSA-N 0 0 318.468 0.793 50 0 DCAARN CCOC(=O)C1CCN(Cn2nc3ccccn3c2=O)CC1 ZINC000009691553 181635595 /nfs/dbraw/zinc/63/55/95/181635595.db2.gz KTQHSJZFKMHYSK-UHFFFAOYSA-N 0 0 304.350 0.729 50 0 DCAARN COCCC(=O)N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000012587311 181779880 /nfs/dbraw/zinc/77/98/80/181779880.db2.gz VHKXXZLGWZNWFD-CQSZACIVSA-N 0 0 302.374 0.907 50 0 DCAARN COc1cccc(C[C@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)c1 ZINC000012707842 181789465 /nfs/dbraw/zinc/78/94/65/181789465.db2.gz GUVDQXMXVNSEDK-AWEZNQCLSA-N 0 0 318.373 0.731 50 0 DCAARN Cc1ccc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)c(O)c1 ZINC000012620382 181783625 /nfs/dbraw/zinc/78/36/25/181783625.db2.gz UEMRZWQJRGMLHN-UHFFFAOYSA-N 0 0 304.302 0.455 50 0 DCAARN COC(=O)CSc1nnc(-c2ccco2)n1CCC(N)=O ZINC000012814143 181800541 /nfs/dbraw/zinc/80/05/41/181800541.db2.gz OUBLHGKASTYAEG-UHFFFAOYSA-N 0 0 310.335 0.679 50 0 DCAARN Cc1ccnc2nc(C(=O)OCc3ccc(C(N)=O)cc3)nn21 ZINC000012913176 181811199 /nfs/dbraw/zinc/81/11/99/181811199.db2.gz IRAVYDAYAAUJCJ-UHFFFAOYSA-N 0 0 311.301 0.889 50 0 DCAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(=O)[nH]c1 ZINC000012998670 181820888 /nfs/dbraw/zinc/82/08/88/181820888.db2.gz BEDVMJLMTUUPQB-UHFFFAOYSA-N 0 0 310.313 0.884 50 0 DCAARN CCN(CC(=O)NC)S(=O)(=O)c1cc(F)ccc1OC ZINC000013581095 181864821 /nfs/dbraw/zinc/86/48/21/181864821.db2.gz CHHOQRAEXODZFC-UHFFFAOYSA-N 0 0 304.343 0.591 50 0 DCAARN O=S(=O)(NCCc1ccccn1)c1ccc2no[n+]([O-])c2c1 ZINC000013690429 181880181 /nfs/dbraw/zinc/88/01/81/181880181.db2.gz WJOZHMRJRDLUCQ-UHFFFAOYSA-N 0 0 320.330 0.377 50 0 DCAARN CN1C(=O)NC2(CCN(C(=O)Cc3ccccc3)CC2)C1=O ZINC000016915560 182064685 /nfs/dbraw/zinc/06/46/85/182064685.db2.gz XGNOOMZTHQXCAQ-UHFFFAOYSA-N 0 0 301.346 0.772 50 0 DCAARN CC(C)CCNC(=O)NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000017180339 182079543 /nfs/dbraw/zinc/07/95/43/182079543.db2.gz QMNGDTKCKCZPGK-UHFFFAOYSA-N 0 0 320.353 0.002 50 0 DCAARN COc1cc(CC(=O)NCC(=O)NC(C)C)cc(OC)c1OC ZINC000017808330 182086346 /nfs/dbraw/zinc/08/63/46/182086346.db2.gz XDBITNYRZCFVGF-UHFFFAOYSA-N 0 0 324.377 0.896 50 0 DCAARN O=C([C@H]1CCOC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000019227119 182109172 /nfs/dbraw/zinc/10/91/72/182109172.db2.gz WNPWXWYLYMGKKQ-ZDUSSCGKSA-N 0 0 324.402 0.556 50 0 DCAARN Cc1cc(C)c(OC[C@@H](O)CN2CCN(CCO)CC2)c(C)c1 ZINC000019770819 182145015 /nfs/dbraw/zinc/14/50/15/182145015.db2.gz WGZWASWNFQPPFI-KRWDZBQOSA-N 0 0 322.449 0.961 50 0 DCAARN CCOc1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1 ZINC000019830674 182154046 /nfs/dbraw/zinc/15/40/46/182154046.db2.gz XAYGRIPMFBBJSE-UHFFFAOYSA-N 0 0 321.377 0.472 50 0 DCAARN CCOC(=O)c1cnc(SCCN2CCOCC2)nc1N ZINC000019913254 182163770 /nfs/dbraw/zinc/16/37/70/182163770.db2.gz YJKJSNARPOTWHG-UHFFFAOYSA-N 0 0 312.395 0.660 50 0 DCAARN CN1CCN(C(=O)CCC(=O)NCc2ccc(F)cc2)CC1 ZINC000019849719 182157467 /nfs/dbraw/zinc/15/74/67/182157467.db2.gz UNSDCWQDTKQGAC-UHFFFAOYSA-N 0 0 307.369 0.996 50 0 DCAARN Cc1nn(C)c(C(=O)N[C@@H](C)CN2CCOCC2)c1Cl ZINC000020028530 182181547 /nfs/dbraw/zinc/18/15/47/182181547.db2.gz DLMDXCCEFUSVLA-VIFPVBQESA-N 0 0 300.790 0.832 50 0 DCAARN O=C1CCC(=O)N1CN(Cc1ccco1)CN1C(=O)CCC1=O ZINC000020227750 182199643 /nfs/dbraw/zinc/19/96/43/182199643.db2.gz BWXKXEGSYYHYJE-UHFFFAOYSA-N 0 0 319.317 0.295 50 0 DCAARN COCc1ccc(C(=O)N2CCN(C(C)=O)C[C@H](O)C2)s1 ZINC000097619662 193740503 /nfs/dbraw/zinc/74/05/03/193740503.db2.gz MKRCUXLEYOWIHX-NSHDSACASA-N 0 0 312.391 0.560 50 0 DCAARN CC1(C)[C@@]2(C(=O)NCCCN3CCOCC3)CC[C@]1(C)C(=O)O2 ZINC000020327599 182207967 /nfs/dbraw/zinc/20/79/67/182207967.db2.gz KOAGUSIWENDLRO-SJORKVTESA-N 0 0 324.421 0.947 50 0 DCAARN CCn1cc([C@@H]2C(C(N)=O)=C(C)Nc3nc(SC)nn32)cn1 ZINC000020607160 182237833 /nfs/dbraw/zinc/23/78/33/182237833.db2.gz YSVOYFQKIAMJEY-SNVBAGLBSA-N 0 0 319.394 0.991 50 0 DCAARN COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000020732097 182244982 /nfs/dbraw/zinc/24/49/82/182244982.db2.gz KPZWUVJHVWEKKP-ZDUSSCGKSA-N 0 0 317.349 0.980 50 0 DCAARN O=C(NCCCO)c1nnc(Cc2ccc3c(c2)OCO3)o1 ZINC000020852013 182249401 /nfs/dbraw/zinc/24/94/01/182249401.db2.gz GKNXKDDGSNFUKD-UHFFFAOYSA-N 0 0 305.290 0.501 50 0 DCAARN COc1cccc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)c1O ZINC000021230933 182270287 /nfs/dbraw/zinc/27/02/87/182270287.db2.gz NNSRTWVROLUEQA-LLVKDONJSA-N 0 0 310.306 0.777 50 0 DCAARN COCCCNC(=O)CSc1nnnn1C[C@@H]1CCCO1 ZINC000021643072 182281957 /nfs/dbraw/zinc/28/19/57/182281957.db2.gz OJQZVZBIEYXBKS-JTQLQIEISA-N 0 0 315.399 0.097 50 0 DCAARN Cc1nn(C)c(C)c1C(=O)O[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000022133617 182309941 /nfs/dbraw/zinc/30/99/41/182309941.db2.gz UPLLEJBUTTXGRL-SECBINFHSA-N 0 0 308.338 0.570 50 0 DCAARN O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)Nc1nncs1 ZINC000022705093 182331693 /nfs/dbraw/zinc/33/16/93/182331693.db2.gz BWZJJZPTJZONRD-UHFFFAOYSA-N 0 0 303.303 0.180 50 0 DCAARN Cc1cc(C)cc(NC(=O)C[C@H](C(=O)[O-])N2CC[NH2+]CC2)c1 ZINC000022466439 182323017 /nfs/dbraw/zinc/32/30/17/182323017.db2.gz MHHQABMPWPCNJD-CQSZACIVSA-N 0 0 305.378 0.990 50 0 DCAARN CCCCS(=O)(=O)NCCNc1cc(-n2cccn2)ncn1 ZINC000023144559 182351222 /nfs/dbraw/zinc/35/12/22/182351222.db2.gz KYBHVIVRHHJJTM-UHFFFAOYSA-N 0 0 324.410 0.794 50 0 DCAARN CCS(=O)(=O)N1CCC(C(=O)NC(C)(C)C(=O)OC)CC1 ZINC000023152217 182352228 /nfs/dbraw/zinc/35/22/28/182352228.db2.gz FPOBXVKCWVKIPK-UHFFFAOYSA-N 0 0 320.411 0.116 50 0 DCAARN Cn1cc(C=CC(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)cn1 ZINC000023310726 182356614 /nfs/dbraw/zinc/35/66/14/182356614.db2.gz LQSJHCNLCKOCRK-MUBLQREKSA-N 0 0 313.361 0.923 50 0 DCAARN Cn1cccc1C(=O)NCCNC(=O)c1cccc(C(N)=O)c1 ZINC000023099679 182346820 /nfs/dbraw/zinc/34/68/20/182346820.db2.gz IAGZCODLRWEACT-UHFFFAOYSA-N 0 0 314.345 0.284 50 0 DCAARN CCCNC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O ZINC000023348381 182357485 /nfs/dbraw/zinc/35/74/85/182357485.db2.gz FPBCFCWRHXOIKH-UHFFFAOYSA-N 0 0 323.378 0.642 50 0 DCAARN O=S(=O)(NCCCN1CCOCC1)c1cccc(F)c1 ZINC000023408934 182359828 /nfs/dbraw/zinc/35/98/28/182359828.db2.gz ICKOSALUPLWHPE-UHFFFAOYSA-N 0 0 302.371 0.826 50 0 DCAARN C[C@H](O)c1cn(CC2CCN(C(=O)Cn3cccn3)CC2)nn1 ZINC000023543673 182363038 /nfs/dbraw/zinc/36/30/38/182363038.db2.gz DRQZDVBDRJDSBW-LBPRGKRZSA-N 0 0 318.381 0.467 50 0 DCAARN COCCNC(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000024606152 182385269 /nfs/dbraw/zinc/38/52/69/182385269.db2.gz STCLOVABZMQVRG-UHFFFAOYSA-N 0 0 314.407 0.995 50 0 DCAARN C[C@@H](CNS(=O)(=O)c1cccc(F)c1)N1CCOCC1 ZINC000024682052 182387013 /nfs/dbraw/zinc/38/70/13/182387013.db2.gz OGMFJXGDQGKGGR-NSHDSACASA-N 0 0 302.371 0.825 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc2cn[nH]c21 ZINC000025028621 182399473 /nfs/dbraw/zinc/39/94/73/182399473.db2.gz BRAMXPUDMUUUME-NSHDSACASA-N 0 0 316.317 0.067 50 0 DCAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000025205967 182404299 /nfs/dbraw/zinc/40/42/99/182404299.db2.gz VXKKAWRZGDWJOG-UHFFFAOYSA-N 0 0 311.407 0.559 50 0 DCAARN C[C@H](C(=O)O[C@@H]1CCOC1=O)N1C(=O)c2ccccc2C1=O ZINC000024971066 182396712 /nfs/dbraw/zinc/39/67/12/182396712.db2.gz HVURQZOQWCAZKW-LDYMZIIASA-N 0 0 303.270 0.530 50 0 DCAARN COCCNC(=O)Cc1c(C)nc2nc(SC)nn2c1C ZINC000027337360 182468854 /nfs/dbraw/zinc/46/88/54/182468854.db2.gz HLFOFTFRLIHGCR-UHFFFAOYSA-N 0 0 309.395 0.768 50 0 DCAARN CCN1CCn2c(=O)n(CC(=O)Nc3ccccc3)nc2C1=O ZINC000098213036 193791946 /nfs/dbraw/zinc/79/19/46/193791946.db2.gz DBKQAYPNLVXXLG-UHFFFAOYSA-N 0 0 315.333 0.159 50 0 DCAARN CCOc1ccc(N2C(=O)C[C@H](NCC(=O)OC)C2=O)cc1 ZINC000100566636 193801157 /nfs/dbraw/zinc/80/11/57/193801157.db2.gz GUKWKFGUBWNPRM-LBPRGKRZSA-N 0 0 306.318 0.480 50 0 DCAARN O=C(CNc1c(=O)c(=O)c1NCc1ccccn1)N1CCCC1 ZINC000101691518 193835362 /nfs/dbraw/zinc/83/53/62/193835362.db2.gz YIJCBBAJKYUPOY-UHFFFAOYSA-N 0 0 314.345 0.324 50 0 DCAARN O=c1c2nnc3ccnn3c2ccn1CCCN1CCOCC1 ZINC000040388141 183060022 /nfs/dbraw/zinc/06/00/22/183060022.db2.gz MKUZWJMGSTZTAJ-UHFFFAOYSA-N 0 0 314.349 0.162 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000040489075 183078873 /nfs/dbraw/zinc/07/88/73/183078873.db2.gz PBTKDNMBOCEXMC-UHFFFAOYSA-N 0 0 312.391 0.307 50 0 DCAARN CN(CCCNC(=O)C1=Cc2ccccc2OC1)S(C)(=O)=O ZINC000040516468 183089154 /nfs/dbraw/zinc/08/91/54/183089154.db2.gz FIGIXXLKLKFVDI-UHFFFAOYSA-N 0 0 324.402 0.860 50 0 DCAARN CN(CCCOc1ccccc1)S(=O)(=O)N1CCOCC1 ZINC000040520522 183090524 /nfs/dbraw/zinc/09/05/24/183090524.db2.gz VAXQKIKDMHOZBR-UHFFFAOYSA-N 0 0 314.407 0.964 50 0 DCAARN CC[C@H](C)c1noc([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 ZINC000040714790 183122464 /nfs/dbraw/zinc/12/24/64/183122464.db2.gz FHXRQBFYSVLZMU-WDEREUQCSA-N 0 0 319.369 0.976 50 0 DCAARN Cc1cc(C(=O)NCC(=O)NCc2c(C)nn(C)c2C)n(C)n1 ZINC000040757742 183129748 /nfs/dbraw/zinc/12/97/48/183129748.db2.gz FFAMXMCBYOODCH-UHFFFAOYSA-N 0 0 318.381 0.125 50 0 DCAARN CC[C@H](C)NC(=O)Cn1nc(C(=O)N2CCCC2)ccc1=O ZINC000041255618 183181504 /nfs/dbraw/zinc/18/15/04/183181504.db2.gz NTHHSSMKBAIRNG-NSHDSACASA-N 0 0 306.366 0.394 50 0 DCAARN C[C@H](NC(=O)CCOc1ccccc1)C(=O)N1CCOCC1 ZINC000041248165 183181588 /nfs/dbraw/zinc/18/15/88/183181588.db2.gz ZWJHRBFDJXYMJC-ZDUSSCGKSA-N 0 0 306.362 0.819 50 0 DCAARN COc1ccc(Cl)cc1S(=O)(=O)N(CCO)CCO ZINC000041105542 183166023 /nfs/dbraw/zinc/16/60/23/183166023.db2.gz ZPAQLPQCSUKZLY-UHFFFAOYSA-N 0 0 309.771 0.324 50 0 DCAARN Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H]1CCOC1 ZINC000041373760 183187469 /nfs/dbraw/zinc/18/74/69/183187469.db2.gz PKWQHUOSQIVSJK-LBPRGKRZSA-N 0 0 303.366 0.826 50 0 DCAARN O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1cccnc1 ZINC000042394551 183263206 /nfs/dbraw/zinc/26/32/06/183263206.db2.gz WYFCIRSYNQDMAA-GJZGRUSLSA-N 0 0 305.378 0.549 50 0 DCAARN NS(=O)(=O)c1ccc(CNC(=O)NCCn2ccnc2)cc1 ZINC000042954667 183321157 /nfs/dbraw/zinc/32/11/57/183321157.db2.gz GUNDUOMQNUSDHS-UHFFFAOYSA-N 0 0 323.378 0.030 50 0 DCAARN NC(=O)CN1CCC(NC(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC000043121168 183339327 /nfs/dbraw/zinc/33/93/27/183339327.db2.gz NFNKNGGYHZKLJX-UHFFFAOYSA-N 0 0 315.417 0.784 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000043080482 183335370 /nfs/dbraw/zinc/33/53/70/183335370.db2.gz FRPZJBVUHCLMMZ-LBPRGKRZSA-N 0 0 319.361 0.517 50 0 DCAARN COc1ccccc1CNC(=O)C(=O)Nc1c[nH]ccc1=O ZINC000044889753 183447892 /nfs/dbraw/zinc/44/78/92/183447892.db2.gz LFFRIKYPGYSQFH-UHFFFAOYSA-N 0 0 301.302 0.638 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCN(C(=O)CCn2cccn2)C1 ZINC000044955679 183467105 /nfs/dbraw/zinc/46/71/05/183467105.db2.gz SDACYTQSUZNBAP-GFCCVEGCSA-N 0 0 314.411 0.061 50 0 DCAARN CN(CC(=O)NCCc1ccccn1)c1ncnc2nc[nH]c21 ZINC000047403047 183590258 /nfs/dbraw/zinc/59/02/58/183590258.db2.gz YWTZSVPKCNZNMZ-UHFFFAOYSA-N 0 0 311.349 0.543 50 0 DCAARN C[C@H](CO)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000106090585 194185012 /nfs/dbraw/zinc/18/50/12/194185012.db2.gz FDDANMLXWDTDRY-UPJWGTAASA-N 0 0 322.409 0.875 50 0 DCAARN C[C@H](CN1CCOCC1)NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000106562643 194231152 /nfs/dbraw/zinc/23/11/52/194231152.db2.gz QTOYWAZGNHJULI-CHWSQXEVSA-N 0 0 305.444 0.273 50 0 DCAARN O=C(NC[C@H]1CCOC1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000106568079 194232201 /nfs/dbraw/zinc/23/22/01/194232201.db2.gz QJKQLOCKBRRYSA-CHWSQXEVSA-N 0 0 305.382 0.781 50 0 DCAARN CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000048604845 183670434 /nfs/dbraw/zinc/67/04/34/183670434.db2.gz ANGQYQRUOJXOAP-JTQLQIEISA-N 0 0 321.333 0.469 50 0 DCAARN O=C(c1sccc1Cl)N1C[C@H](O)[C@@H](N2CCOCC2)C1 ZINC000222299723 296311478 /nfs/dbraw/zinc/31/14/78/296311478.db2.gz ZGZOPRXPKIJEGJ-QWRGUYRKSA-N 0 0 316.810 0.919 50 0 DCAARN Cc1cc(C(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)on1 ZINC000044911396 291756241 /nfs/dbraw/zinc/75/62/41/291756241.db2.gz PDLQHENTSJPSID-CHWSQXEVSA-N 0 0 309.366 0.450 50 0 DCAARN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)Cc1ccc(C)s1 ZINC000110704234 194351414 /nfs/dbraw/zinc/35/14/14/194351414.db2.gz GHIXENJQLGQOMU-GFCCVEGCSA-N 0 0 323.418 0.452 50 0 DCAARN Cc1noc([C@@H](C)N2CCN(C(=O)c3cnc(C)cn3)CC2)n1 ZINC000110893098 194366696 /nfs/dbraw/zinc/36/66/96/194366696.db2.gz BNADLWYHWNICQK-LLVKDONJSA-N 0 0 316.365 0.995 50 0 DCAARN Cc1csc(=O)n1CCC(=O)NCc1nnc2n1CCC2 ZINC000054905780 183954769 /nfs/dbraw/zinc/95/47/69/183954769.db2.gz WXJJASWKLDDYNV-UHFFFAOYSA-N 0 0 307.379 0.462 50 0 DCAARN C[C@@H](Cc1ccc(O)cc1)NC(=O)NCCN1CCOCC1 ZINC000055083739 183962509 /nfs/dbraw/zinc/96/25/09/183962509.db2.gz ZELMLWJGABSWEC-ZDUSSCGKSA-N 0 0 307.394 0.955 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000057110170 184027341 /nfs/dbraw/zinc/02/73/41/184027341.db2.gz DWWCATQWMXYBCY-SNVBAGLBSA-N 0 0 314.353 0.191 50 0 DCAARN NC(=O)C1CCN(C(=O)c2cn(-c3cccc(F)c3)nn2)CC1 ZINC000057511702 184040791 /nfs/dbraw/zinc/04/07/91/184040791.db2.gz DCYCSHJTFWVCNQ-UHFFFAOYSA-N 0 0 317.324 0.744 50 0 DCAARN CC[C@H]1CCCCN1C(=O)CN1C(=O)NC2(CCOCC2)C1=O ZINC000057947335 184063473 /nfs/dbraw/zinc/06/34/73/184063473.db2.gz MDHISPFOMVXCDQ-LBPRGKRZSA-N 0 0 323.393 0.879 50 0 DCAARN CCOC(=O)N[C@@H](C(=O)N1CCCN(C(C)=O)CC1)C(C)C ZINC000058166843 184083359 /nfs/dbraw/zinc/08/33/59/184083359.db2.gz DVTVMALDTWAOET-CYBMUJFWSA-N 0 0 313.398 0.838 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1ccc(F)cc1Cl ZINC000058191569 184085894 /nfs/dbraw/zinc/08/58/94/184085894.db2.gz MJAIWMVJOJDIGO-UHFFFAOYSA-N 0 0 324.761 0.602 50 0 DCAARN COc1ccccc1S(=O)(=O)N[C@H](C)C(=O)N1CCCC1 ZINC000058209377 184088099 /nfs/dbraw/zinc/08/80/99/184088099.db2.gz DFSPGDHFEZFMCC-LLVKDONJSA-N 0 0 312.391 0.984 50 0 DCAARN CCN(C(=O)c1ccc(OC)c(OC)c1)[C@H]1CC(=O)NC1=O ZINC000058226079 184091011 /nfs/dbraw/zinc/09/10/11/184091011.db2.gz GNHSTRHTDGYVPK-JTQLQIEISA-N 0 0 306.318 0.581 50 0 DCAARN O=C(Cn1nnc(-c2cc3ccccc3o2)n1)N1CCOCC1 ZINC000058357543 184108973 /nfs/dbraw/zinc/10/89/73/184108973.db2.gz MPESXWCUKITAJG-UHFFFAOYSA-N 0 0 313.317 0.945 50 0 DCAARN Cc1cc(C)c(CNC(=O)c2cccnc2-n2cncn2)c(=O)[nH]1 ZINC000058249289 184094758 /nfs/dbraw/zinc/09/47/58/184094758.db2.gz CMXKDZGGQWNPPB-UHFFFAOYSA-N 0 0 324.344 0.897 50 0 DCAARN C[C@@H]1CCCCN1C(=O)Cn1c(=O)onc1-c1ncccn1 ZINC000058292994 184101214 /nfs/dbraw/zinc/10/12/14/184101214.db2.gz UTFWMXCRKUEKHK-SNVBAGLBSA-N 0 0 303.322 0.694 50 0 DCAARN CN1CCO[C@H](CNC(=O)COc2ccc(F)cc2F)C1 ZINC000058295288 184101676 /nfs/dbraw/zinc/10/16/76/184101676.db2.gz DGCKIKZKDIGNCC-LLVKDONJSA-N 0 0 300.305 0.790 50 0 DCAARN COCCCNC(=O)CN(C)C(=O)c1ccc(N(C)C)cc1 ZINC000058310758 184103616 /nfs/dbraw/zinc/10/36/16/184103616.db2.gz AUTSPMNVFRSICL-UHFFFAOYSA-N 0 0 307.394 0.977 50 0 DCAARN COc1ccc(CNC(=O)N[C@@H]2CCC(=O)NC2)cc1OC ZINC000058315779 184104574 /nfs/dbraw/zinc/10/45/74/184104574.db2.gz UBAZESSHBMVAQI-LLVKDONJSA-N 0 0 307.350 0.782 50 0 DCAARN O=C1NC[C@H]2CN(c3ncc(Cl)cc3Cl)CCN2C1=O ZINC000225822010 284910310 /nfs/dbraw/zinc/91/03/10/284910310.db2.gz SNERJYUJPYPSEB-QMMMGPOBSA-N 0 0 315.160 0.535 50 0 DCAARN O=C1NCCC[C@@H]1NS(=O)(=O)N1CCc2ccccc2C1 ZINC000065265068 184319070 /nfs/dbraw/zinc/31/90/70/184319070.db2.gz GLRUZFXPLPRRDY-ZDUSSCGKSA-N 0 0 309.391 0.158 50 0 DCAARN COc1ccc(CN2CC[C@@H](NC(=O)c3ccnn3C)C2)cn1 ZINC000065267370 184319641 /nfs/dbraw/zinc/31/96/41/184319641.db2.gz VAYVGMOPTHAVNR-CYBMUJFWSA-N 0 0 315.377 0.828 50 0 DCAARN COc1ccc(CN2CC[C@H](NC(=O)c3ccnn3C)C2)cn1 ZINC000065267371 184319827 /nfs/dbraw/zinc/31/98/27/184319827.db2.gz VAYVGMOPTHAVNR-ZDUSSCGKSA-N 0 0 315.377 0.828 50 0 DCAARN CNc1nc(C(=O)N2CCn3c(ncc3C(N)=O)C2)cs1 ZINC000065375065 184331368 /nfs/dbraw/zinc/33/13/68/184331368.db2.gz JCBMFTPZXGXXPH-UHFFFAOYSA-N 0 0 306.351 0.136 50 0 DCAARN COCCN(Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H](C)COC ZINC000065415697 184340764 /nfs/dbraw/zinc/34/07/64/184340764.db2.gz QAJNZJXALRKCES-JTQLQIEISA-N 0 0 309.370 0.140 50 0 DCAARN COC[C@H](C)NC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000065436815 184344575 /nfs/dbraw/zinc/34/45/75/184344575.db2.gz XZOKECVOUNZSRR-JTQLQIEISA-N 0 0 315.395 0.211 50 0 DCAARN COC[C@@H](C)NC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000065436818 184345000 /nfs/dbraw/zinc/34/50/00/184345000.db2.gz XZOKECVOUNZSRR-SNVBAGLBSA-N 0 0 315.395 0.211 50 0 DCAARN NC(=O)Cn1cc(NC(=O)NC[C@@H](O)c2ccccc2F)cn1 ZINC000065443377 184346180 /nfs/dbraw/zinc/34/61/80/184346180.db2.gz GHYLOMCRTZCPNH-GFCCVEGCSA-N 0 0 321.312 0.363 50 0 DCAARN Cc1cc(C(=O)N2CCCN(CC(N)=O)CC2)nn1C(C)(C)C ZINC000065487882 184352840 /nfs/dbraw/zinc/35/28/40/184352840.db2.gz FUSACVXWVMHFIY-UHFFFAOYSA-N 0 0 321.425 0.580 50 0 DCAARN Cc1nnc2n1C[C@@H](NC(=O)c1cccc(-n3cnnn3)c1)CC2 ZINC000065530371 184361040 /nfs/dbraw/zinc/36/10/40/184361040.db2.gz IBOZAXWIWKLQLW-LBPRGKRZSA-N 0 0 324.348 0.307 50 0 DCAARN NC(=O)c1ccc(C(=O)NC[C@H]2CCS(=O)(=O)C2)s1 ZINC000065552503 184365057 /nfs/dbraw/zinc/36/50/57/184365057.db2.gz BZVIKKGYAFQVBA-SSDOTTSWSA-N 0 0 302.377 0.012 50 0 DCAARN CCNC(=O)NC(=O)[C@H](C)N(C)CC(=O)Nc1cccc(C)n1 ZINC000065609377 184372612 /nfs/dbraw/zinc/37/26/12/184372612.db2.gz RNLILYKJAFSSFS-NSHDSACASA-N 0 0 321.381 0.495 50 0 DCAARN C[C@H](c1nc(C2CC2)no1)N1CCN([C@@H]2CCOC2=O)CC1 ZINC000069418624 184513679 /nfs/dbraw/zinc/51/36/79/184513679.db2.gz BTCGNRKSRLVKIS-ZYHUDNBSSA-N 0 0 306.366 0.941 50 0 DCAARN CCOCC(=O)NC[C@H](Cc1ccccc1)NC(=O)COCC ZINC000069347754 184507927 /nfs/dbraw/zinc/50/79/27/184507927.db2.gz YMQYOVFESVFPFS-HNNXBMFYSA-N 0 0 322.405 0.903 50 0 DCAARN Cc1ccc(-c2noc(Cn3nc(C(N)=O)ccc3=O)n2)cc1 ZINC000069518530 184522039 /nfs/dbraw/zinc/52/20/39/184522039.db2.gz ICLNPBUVAXKLTI-UHFFFAOYSA-N 0 0 311.301 0.749 50 0 DCAARN CO[C@@H]1C[C@H]2C(=O)N([C@H]3CCN(c4ccccn4)C3)C(=O)N2C1 ZINC000328588529 532971502 /nfs/dbraw/zinc/97/15/02/532971502.db2.gz RZWOFHOICYXAAX-XQQFMLRXSA-N 0 0 316.361 0.712 50 0 DCAARN COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cccn1C)C2 ZINC000091365022 285007333 /nfs/dbraw/zinc/00/73/33/285007333.db2.gz ASCDUEBTVKDVHE-QWHCGFSZSA-N 0 0 305.378 0.735 50 0 DCAARN COCC[C@H]1COCCN1C(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000334040780 252786140 /nfs/dbraw/zinc/78/61/40/252786140.db2.gz AIGDXFGJSKIEAI-AAEUAGOBSA-N 0 0 310.350 0.662 50 0 DCAARN CCN(C[C@H]1CCOC1)C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000048262804 285090025 /nfs/dbraw/zinc/09/00/25/285090025.db2.gz WUAIDQQOEFABMX-NEPJUHHUSA-N 0 0 304.412 0.295 50 0 DCAARN Cc1ccc2[nH]c(CNC(=O)N[C@H]3CCS(=O)(=O)C3)nc2c1 ZINC000340879183 253316809 /nfs/dbraw/zinc/31/68/09/253316809.db2.gz QOUPERMLXUJWPU-JTQLQIEISA-N 0 0 322.390 0.858 50 0 DCAARN O=C1N[C@@]2(O)C(=O)c3ccccc3[C@@]2(O)N1c1cccc(O)c1 ZINC000226761169 296393277 /nfs/dbraw/zinc/39/32/77/296393277.db2.gz SOSVHHARGGATPT-CVEARBPZSA-N 0 0 312.281 0.652 50 0 DCAARN CC1=C(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)CCCO1 ZINC000156236780 197097700 /nfs/dbraw/zinc/09/77/00/197097700.db2.gz FJERWHOVUCDQNI-DGCLKSJQSA-N 0 0 316.423 0.905 50 0 DCAARN CCCn1c(=O)[nH]nc1SCC(=O)N[C@@H](C(C)=O)C(C)C ZINC000014567014 256526408 /nfs/dbraw/zinc/52/64/08/256526408.db2.gz OELMDWDXECMJLB-LLVKDONJSA-N 0 0 314.411 0.803 50 0 DCAARN CC1CCN(S(=O)(=O)c2ccc(OCC(N)=O)cc2)CC1 ZINC000016490279 256527009 /nfs/dbraw/zinc/52/70/09/256527009.db2.gz PCGKVLAYSWRBRA-UHFFFAOYSA-N 0 0 312.391 0.971 50 0 DCAARN COc1c(C)cc(CN(C)C(=O)CN2CCNCC2=O)cc1C ZINC000237126776 257239812 /nfs/dbraw/zinc/23/98/12/257239812.db2.gz JRAFRZXSGRICLN-UHFFFAOYSA-N 0 0 319.405 0.702 50 0 DCAARN C[C@@H]1C[C@@H]1C(=O)N1CC(CS(=O)(=O)NCc2ccccn2)C1 ZINC000521398243 257240070 /nfs/dbraw/zinc/24/00/70/257240070.db2.gz FZKIKLCNDMHYOL-RISCZKNCSA-N 0 0 323.418 0.615 50 0 DCAARN CCCN(C(=O)c1cc2n(n1)C[C@H](O)CNC2=O)C1CCCC1 ZINC000426615456 257244779 /nfs/dbraw/zinc/24/47/79/257244779.db2.gz KVGHCYHHBMFPJQ-GFCCVEGCSA-N 0 0 320.393 0.782 50 0 DCAARN O=C(c1cccn2cnnc12)N1CCN(C2CCCC2)C(=O)C1 ZINC000426589960 257246411 /nfs/dbraw/zinc/24/64/11/257246411.db2.gz KCRWJOBTHNOVGG-UHFFFAOYSA-N 0 0 313.361 0.956 50 0 DCAARN Cc1ccc(C(=O)NC[C@H]2CN(C)C(=O)CO2)n1C(F)F ZINC000426493087 257248810 /nfs/dbraw/zinc/24/88/10/257248810.db2.gz VHMGILRBXJZGBQ-VIFPVBQESA-N 0 0 301.293 0.779 50 0 DCAARN CC(=O)c1cccc(C(=O)N[C@@H]2CCN(C(C)=O)C[C@H]2O)c1 ZINC000426473450 257249068 /nfs/dbraw/zinc/24/90/68/257249068.db2.gz HNLJSXUABQBEAY-HUUCEWRRSA-N 0 0 304.346 0.601 50 0 DCAARN Cc1cccn2cc(C(=O)N3CCN4C(=O)OC[C@@H]4C3)nc12 ZINC000426422008 257249991 /nfs/dbraw/zinc/24/99/91/257249991.db2.gz QGZLBLRXQSOWBI-NSHDSACASA-N 0 0 300.318 0.919 50 0 DCAARN CC(C)c1nc(CNC(=O)N2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)no1 ZINC000426445163 257250486 /nfs/dbraw/zinc/25/04/86/257250486.db2.gz VEYZMSKTVNOTHT-USZNOCQGSA-N 0 0 324.381 0.466 50 0 DCAARN CCN(CCO)C(=O)NCCn1[nH]c(=O)c2ccccc2c1=O ZINC000426433570 257250549 /nfs/dbraw/zinc/25/05/49/257250549.db2.gz FZLPHSXNUWNUSD-UHFFFAOYSA-N 0 0 320.349 0.126 50 0 DCAARN O=C(N[C@H]1COC[C@@H]1N1CCOCC1)C1Cc2ccccc2C1 ZINC000426420007 257250914 /nfs/dbraw/zinc/25/09/14/257250914.db2.gz FXNQRIJIWAEGNM-IRXDYDNUSA-N 0 0 316.401 0.617 50 0 DCAARN Cc1nc[nH]c1CSCCNC(=O)CN1CCN(C)C1=O ZINC000426408959 257251503 /nfs/dbraw/zinc/25/15/03/257251503.db2.gz PBSUEUSOKJLFLN-UHFFFAOYSA-N 0 0 311.411 0.435 50 0 DCAARN CNC(=O)c1[nH]nc2c1CN(C(=O)[C@@H](C)n1cccc1)CC2 ZINC000426374429 257252216 /nfs/dbraw/zinc/25/22/16/257252216.db2.gz SZKRGTPWECMXQT-SNVBAGLBSA-N 0 0 301.350 0.717 50 0 DCAARN CC(=O)NCc1cc2n(n1)CCN(C(=O)c1ccncc1C)C2 ZINC000426394497 257252320 /nfs/dbraw/zinc/25/23/20/257252320.db2.gz FQFYGRIHIASALE-UHFFFAOYSA-N 0 0 313.361 0.879 50 0 DCAARN Cc1cc2nc(C[N@@H+](C)CC3(CO)CCOCC3)cc(=O)n2[n-]1 ZINC000334159587 257261997 /nfs/dbraw/zinc/26/19/97/257261997.db2.gz GGGAOXQIHCJMBW-UHFFFAOYSA-N 0 0 320.393 0.552 50 0 DCAARN O=C(Cn1ncc2ccccc2c1=O)NCCCn1ccnc1 ZINC000028835369 257269446 /nfs/dbraw/zinc/26/94/46/257269446.db2.gz ASMRHTKAIFFRFJ-UHFFFAOYSA-N 0 0 311.345 0.800 50 0 DCAARN O=c1c2cnc(N3CCCC3)[nH]c-2cn1[C@@H]1CCS(=O)(=O)C1 ZINC000046088874 296441432 /nfs/dbraw/zinc/44/14/32/296441432.db2.gz GUSIQLLGQASRHS-SNVBAGLBSA-N 0 0 322.390 0.220 50 0 DCAARN O=C(NCCCS(=O)(=O)c1ccccc1)c1ccc[nH]c1=O ZINC000071834702 184861845 /nfs/dbraw/zinc/86/18/45/184861845.db2.gz IHVBEEJJLPHWOU-UHFFFAOYSA-N 0 0 320.370 0.969 50 0 DCAARN C[C@H](COCC(F)(F)F)NC(=O)N1CCC(C(N)=O)CC1 ZINC000071837295 184863410 /nfs/dbraw/zinc/86/34/10/184863410.db2.gz ILYUZAXLJJPXQP-MRVPVSSYSA-N 0 0 311.304 0.861 50 0 DCAARN COc1ccc(CC(=O)N2CC[NH+](CCC(=O)[O-])CC2)cc1 ZINC000071851812 184868741 /nfs/dbraw/zinc/86/87/41/184868741.db2.gz KCDNUUIQBBPXAN-UHFFFAOYSA-N 0 0 306.362 0.857 50 0 DCAARN Cc1nc(Cl)cc(N2CCC(CS(N)(=O)=O)CC2)n1 ZINC000071899624 184894625 /nfs/dbraw/zinc/89/46/25/184894625.db2.gz VCROKBHUXCZVJD-UHFFFAOYSA-N 0 0 304.803 0.943 50 0 DCAARN COc1ccc(C(=O)N2CC[NH+]([C@H](C)C(=O)[O-])CC2)c(OC)c1 ZINC000261759719 533305470 /nfs/dbraw/zinc/30/54/70/533305470.db2.gz PTADFUYZLSBONU-LLVKDONJSA-N 0 0 322.361 0.935 50 0 DCAARN COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)C=C(C)C ZINC000408523906 533436755 /nfs/dbraw/zinc/43/67/55/533436755.db2.gz VZITUWJHNYSCDK-MNOVXSKESA-N 0 0 314.407 0.922 50 0 DCAARN COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)C=C(C)C ZINC000408523904 533438068 /nfs/dbraw/zinc/43/80/68/533438068.db2.gz VZITUWJHNYSCDK-GHMZBOCLSA-N 0 0 314.407 0.922 50 0 DCAARN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)Cn2nc(C)cc2C)C1 ZINC000284616892 131097842 /nfs/dbraw/zinc/09/78/42/131097842.db2.gz OUALZIKSINEFGC-OLZOCXBDSA-N 0 0 318.381 0.915 50 0 DCAARN Cc1cccc(CS(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1 ZINC000284904664 131121892 /nfs/dbraw/zinc/12/18/92/131121892.db2.gz HTZBUPRTDHBVAL-NEPJUHHUSA-N 0 0 300.355 0.723 50 0 DCAARN Cn1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1=O ZINC000003335877 134453874 /nfs/dbraw/zinc/45/38/74/134453874.db2.gz KZISMHNAFHXGNX-UHFFFAOYSA-N 0 0 314.345 0.869 50 0 DCAARN Nc1nc2nc[nH]c2c(N2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000031819217 134679039 /nfs/dbraw/zinc/67/90/39/134679039.db2.gz HMVVGJJYIFDVMQ-UHFFFAOYSA-N 0 0 323.360 0.898 50 0 DCAARN NC(=O)c1cnc(N2CCC(N3CCNC3=O)CC2)c(Cl)c1 ZINC000054123654 134772516 /nfs/dbraw/zinc/77/25/16/134772516.db2.gz JAHSOMKRYOLLFB-UHFFFAOYSA-N 0 0 323.784 0.828 50 0 DCAARN CSc1nc(C)cc(N2CCN3CCN(C)C(=O)[C@@H]3C2)n1 ZINC000065406391 134823808 /nfs/dbraw/zinc/82/38/08/134823808.db2.gz VWTSRKMKWTUFGM-NSHDSACASA-N 0 0 307.423 0.470 50 0 DCAARN Cn1nc(Sc2ccc3c(c2)OCCO3)c(=O)n(C)c1=O ZINC000008401258 395684574 /nfs/dbraw/zinc/68/45/74/395684574.db2.gz JRXXVMCSOGMRLO-UHFFFAOYSA-N 0 0 307.331 0.401 50 0 DCAARN CC1=C[C@@](O)(C(F)(F)F)N(S(=O)(=O)c2cnn(C)c2)N1 ZINC000008782455 395684966 /nfs/dbraw/zinc/68/49/66/395684966.db2.gz BBCHKFNKQJILLP-MRVPVSSYSA-N 0 0 312.273 0.441 50 0 DCAARN Cc1ccc(N2C[C@@H](CNS(=O)(=O)N(C)C)CC2=O)cc1 ZINC000009036905 395685005 /nfs/dbraw/zinc/68/50/05/395685005.db2.gz XKEUKRPRNVHTJO-GFCCVEGCSA-N 0 0 311.407 0.744 50 0 DCAARN Cc1ccc(OC[C@H](O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008852723 395685045 /nfs/dbraw/zinc/68/50/45/395685045.db2.gz PFVAYWOZNQFHPX-ZIAGYGMSSA-N 0 0 313.419 0.854 50 0 DCAARN CN(C)S(=O)(=O)NC[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000009036297 395685085 /nfs/dbraw/zinc/68/50/85/395685085.db2.gz NURQUJFRFKCGQU-SNVBAGLBSA-N 0 0 315.370 0.575 50 0 DCAARN CCNC(=O)N1CCNC(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 ZINC000009340813 395685263 /nfs/dbraw/zinc/68/52/63/395685263.db2.gz CRIGWITUYGOXOY-LBPRGKRZSA-N 0 0 322.340 0.684 50 0 DCAARN CSc1ccccc1NC(=O)C(=O)NN1CCN(C)CC1 ZINC000009915119 395685820 /nfs/dbraw/zinc/68/58/20/395685820.db2.gz HETSBDXRGCMPFK-UHFFFAOYSA-N 0 0 308.407 0.626 50 0 DCAARN COCCNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000010220935 395685956 /nfs/dbraw/zinc/68/59/56/395685956.db2.gz MMQVGRJVTAUQNP-UHFFFAOYSA-N 0 0 319.361 0.823 50 0 DCAARN Cc1csc2nc(O)c(C(=O)NC[C@H]3CCCO3)c(=O)n12 ZINC000010166701 395685957 /nfs/dbraw/zinc/68/59/57/395685957.db2.gz AOEQRVNQVFBSRA-MRVPVSSYSA-N 0 0 309.347 0.679 50 0 DCAARN Cc1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12 ZINC000010434446 395686013 /nfs/dbraw/zinc/68/60/13/395686013.db2.gz QXKNPXZWGUGBOQ-UHFFFAOYSA-N 0 0 308.359 0.857 50 0 DCAARN Cc1cc(OCC(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)no1 ZINC000010930710 395686270 /nfs/dbraw/zinc/68/62/70/395686270.db2.gz FYNSWBSDGOAQJN-UHFFFAOYSA-N 0 0 316.273 0.530 50 0 DCAARN O=C(c1n[nH]c2ccccc21)N1CCC2(CC1)NC(=O)NC2=O ZINC000012559372 395687830 /nfs/dbraw/zinc/68/78/30/395687830.db2.gz MZDJKFVXUPFPFP-UHFFFAOYSA-N 0 0 313.317 0.377 50 0 DCAARN C[C@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(N)=O ZINC000012972706 395688309 /nfs/dbraw/zinc/68/83/09/395688309.db2.gz BWLBLKONDRPUHY-NSHDSACASA-N 0 0 317.345 0.820 50 0 DCAARN O=C(NCCN1CCOCC1)c1nnc(-c2ccncc2)o1 ZINC000013364196 395688615 /nfs/dbraw/zinc/68/86/15/395688615.db2.gz BZGUKZHKCGTXHX-UHFFFAOYSA-N 0 0 303.322 0.194 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000013689856 395688769 /nfs/dbraw/zinc/68/87/69/395688769.db2.gz DYYRZMOQEMFHOU-UHFFFAOYSA-N 0 0 307.375 0.885 50 0 DCAARN CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCO ZINC000013759119 395688917 /nfs/dbraw/zinc/68/89/17/395688917.db2.gz ZRBLVQXKDGBXAG-UHFFFAOYSA-N 0 0 309.370 0.408 50 0 DCAARN Cc1cccc(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1C ZINC000013727245 395688991 /nfs/dbraw/zinc/68/89/91/395688991.db2.gz PQLDSTHIIRVRQT-CVEARBPZSA-N 0 0 324.446 0.583 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)NCCCN1CCCC1=O ZINC000014099393 395689140 /nfs/dbraw/zinc/68/91/40/395689140.db2.gz NZCPHQDMNHJPQC-UHFFFAOYSA-N 0 0 301.368 0.582 50 0 DCAARN O=C(NCCN1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000014397961 395689488 /nfs/dbraw/zinc/68/94/88/395689488.db2.gz MSYXEBRJULIXDM-UHFFFAOYSA-N 0 0 319.405 0.585 50 0 DCAARN COCC(=O)N[C@@H]1CC(=O)N(CCc2ccc(OC)cc2)C1 ZINC000015062202 395689791 /nfs/dbraw/zinc/68/97/91/395689791.db2.gz DJNDYPROHAKZID-CYBMUJFWSA-N 0 0 306.362 0.601 50 0 DCAARN O=C(c1cccnc1N1CCN(CCO)CC1)N1CCCC1 ZINC000019815604 395691120 /nfs/dbraw/zinc/69/11/20/395691120.db2.gz ILMYQBRDOSZTEW-UHFFFAOYSA-N 0 0 304.394 0.432 50 0 DCAARN O=C([C@H]1CCC(=O)N1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000020512119 395691295 /nfs/dbraw/zinc/69/12/95/395691295.db2.gz QAIZDVUGJSEENH-LLVKDONJSA-N 0 0 308.769 0.662 50 0 DCAARN COCCNC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000020739435 395691364 /nfs/dbraw/zinc/69/13/64/395691364.db2.gz HQYCVESVHZRDDY-UHFFFAOYSA-N 0 0 304.354 0.103 50 0 DCAARN CN1CC[NH+]([C@H](CC(=O)Nc2ccc(F)cc2)C(=O)[O-])CC1 ZINC000022584922 395691848 /nfs/dbraw/zinc/69/18/48/395691848.db2.gz LVIUGDLKQVZHDZ-CYBMUJFWSA-N 0 0 309.341 0.855 50 0 DCAARN CCS(=O)(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000000120085 395679837 /nfs/dbraw/zinc/67/98/37/395679837.db2.gz NXMPBDVMFBRNIF-UHFFFAOYSA-N 0 0 300.355 0.933 50 0 DCAARN COc1ccc(NC(=O)[C@@H]2C=C([O-])NC(=[NH2+])S2)cc1OC ZINC000000185284 395679955 /nfs/dbraw/zinc/67/99/55/395679955.db2.gz QOAFYXKHXARZGZ-JTQLQIEISA-N 0 0 309.347 0.989 50 0 DCAARN Cc1c(C(N)=O)sc2ncn(CC(=O)OC(C)C)c(=O)c12 ZINC000000149888 395679965 /nfs/dbraw/zinc/67/99/65/395679965.db2.gz KGGSWUDIPZOXGH-UHFFFAOYSA-N 0 0 309.347 0.817 50 0 DCAARN CCOC(=O)C1=C(C)NC(=O)[C@H](C(N)=O)[C@@H]1c1ccccc1 ZINC000000185567 395680009 /nfs/dbraw/zinc/68/00/09/395680009.db2.gz RHLQQSZYRRFVJE-OLZOCXBDSA-N 0 0 302.330 0.839 50 0 DCAARN COc1cc(NC(=O)[C@H]2C=C([O-])NC(=[NH2+])S2)cc(OC)c1 ZINC000000208964 395680022 /nfs/dbraw/zinc/68/00/22/395680022.db2.gz KXAJBMQVUAIEGW-SNVBAGLBSA-N 0 0 309.347 0.989 50 0 DCAARN COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(N)=O)c1 ZINC000000381064 395680318 /nfs/dbraw/zinc/68/03/18/395680318.db2.gz MUNLIKFGKZDGAT-GFCCVEGCSA-N 0 0 307.375 0.982 50 0 DCAARN CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 ZINC000000368030 395680330 /nfs/dbraw/zinc/68/03/30/395680330.db2.gz UEHMXGXSSLPWQN-UHFFFAOYSA-N 0 0 313.361 0.914 50 0 DCAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cc(=O)n(C)c(=O)n1C ZINC000000476559 395680390 /nfs/dbraw/zinc/68/03/90/395680390.db2.gz LAHMXEGNDRZEEZ-LBPRGKRZSA-N 0 0 317.345 0.880 50 0 DCAARN O=C(c1cccs1)N1CCN(C(=O)N2CCOCC2)CC1 ZINC000000811846 395680699 /nfs/dbraw/zinc/68/06/99/395680699.db2.gz GOPYYOYPZQUCFG-UHFFFAOYSA-N 0 0 309.391 0.958 50 0 DCAARN CCOC(=O)Cn1nnc(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000001423861 395680783 /nfs/dbraw/zinc/68/07/83/395680783.db2.gz UWIMDXHFPJOOQR-UHFFFAOYSA-N 0 0 322.321 0.929 50 0 DCAARN O=C(COc1ccc(=O)n(-c2ccccc2)n1)N1CCOCC1 ZINC000001399149 395680846 /nfs/dbraw/zinc/68/08/46/395680846.db2.gz XBWRRMSYXPFBSN-UHFFFAOYSA-N 0 0 315.329 0.470 50 0 DCAARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C(=O)N2C)cc1 ZINC000001511513 395680938 /nfs/dbraw/zinc/68/09/38/395680938.db2.gz HDQPYEDQLSQDIF-ZOBORPQBSA-N 0 0 312.325 0.827 50 0 DCAARN O=C(CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)NCCO ZINC000001788830 395681141 /nfs/dbraw/zinc/68/11/41/395681141.db2.gz IGXBHFVIKXYJQB-UHFFFAOYSA-N 0 0 315.373 0.885 50 0 DCAARN CCOC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000002134161 395681283 /nfs/dbraw/zinc/68/12/83/395681283.db2.gz RFJNBIUPOREESK-UHFFFAOYSA-N 0 0 300.336 0.616 50 0 DCAARN COc1ccc(C(=O)NCCNC(=O)[C@H]2CCCNC2=O)cc1 ZINC000002447182 395681585 /nfs/dbraw/zinc/68/15/85/395681585.db2.gz HSVMUCZNYCWCSU-ZDUSSCGKSA-N 0 0 319.361 0.067 50 0 DCAARN CCOCCCNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O ZINC000002952129 395682172 /nfs/dbraw/zinc/68/21/72/395682172.db2.gz UONYUSSJPAIGTE-UHFFFAOYSA-N 0 0 319.361 0.623 50 0 DCAARN CN(C(=S)NC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000003263507 395682400 /nfs/dbraw/zinc/68/24/00/395682400.db2.gz HYVBBLZFJQXLFU-QMMMGPOBSA-N 0 0 302.377 0.413 50 0 DCAARN COc1cccc(OCC(=O)O[C@@H]2CCS(=O)(=O)C2)c1 ZINC000003212975 395682440 /nfs/dbraw/zinc/68/24/40/395682440.db2.gz PLEWHCYXJJUKEP-GFCCVEGCSA-N 0 0 300.332 0.804 50 0 DCAARN Cc1ccc(S(=O)(=O)NN2CC[S@](=O)[C@H](C)C2)cc1 ZINC000005683588 395682822 /nfs/dbraw/zinc/68/28/22/395682822.db2.gz HYEVSGUCCBFFMK-ADLMAVQZSA-N 0 0 302.421 0.641 50 0 DCAARN CN(C)C(=O)CSCC(=O)OCC(=O)NCc1ccccc1 ZINC000006939996 395683071 /nfs/dbraw/zinc/68/30/71/395683071.db2.gz BDLHOHCZQKEXOA-UHFFFAOYSA-N 0 0 324.402 0.667 50 0 DCAARN COc1ccc(C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)cc1 ZINC000007888798 395683638 /nfs/dbraw/zinc/68/36/38/395683638.db2.gz ZTJKNNFWCBJBHZ-ZDUSSCGKSA-N 0 0 320.345 0.718 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)NCc1nnc2ccccn21 ZINC000007988660 395683892 /nfs/dbraw/zinc/68/38/92/395683892.db2.gz LMOXQNHZJFSBPV-UHFFFAOYSA-N 0 0 307.335 0.813 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)c2ccc3nsnc3c2)CC1 ZINC000085436803 395700545 /nfs/dbraw/zinc/70/05/45/395700545.db2.gz OXDSVXRZUMHBAX-JTQLQIEISA-N 0 0 306.391 0.830 50 0 DCAARN CC(C)CNC(=O)Cn1nnn(-c2ccccc2Cl)c1=O ZINC000029950393 395701221 /nfs/dbraw/zinc/70/12/21/395701221.db2.gz KZZRUKOQEAYDTR-UHFFFAOYSA-N 0 0 309.757 0.855 50 0 DCAARN COc1cccc(N2CCN(C(=O)C3(C(N)=O)CC3)CC2=O)c1 ZINC000085532727 395701515 /nfs/dbraw/zinc/70/15/15/395701515.db2.gz XPDJBUYOANXLDN-UHFFFAOYSA-N 0 0 317.345 0.136 50 0 DCAARN CN(C)C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000030968915 395704613 /nfs/dbraw/zinc/70/46/13/395704613.db2.gz VOCDXRZPZKTFFT-CQSZACIVSA-N 0 0 307.394 0.726 50 0 DCAARN O=C(NCc1cccnc1N1CCOCC1)c1ccc[nH]c1=O ZINC000031328598 395706305 /nfs/dbraw/zinc/70/63/05/395706305.db2.gz FPETVTLEQXDRMK-UHFFFAOYSA-N 0 0 314.345 0.949 50 0 DCAARN O=C(/C=C/c1cnc2ccccc2n1)N[C@H]1CCS(=O)(=O)C1 ZINC000031612477 395707020 /nfs/dbraw/zinc/70/70/20/395707020.db2.gz XKSGKRKJLDKAFF-FYJFLYSWSA-N 0 0 317.370 0.946 50 0 DCAARN CCOC(=O)Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2 ZINC000032087671 395709031 /nfs/dbraw/zinc/70/90/31/395709031.db2.gz BXRGWCACWRWNQZ-UHFFFAOYSA-N 0 0 302.290 0.596 50 0 DCAARN CCn1cc(S(=O)(=O)N2CC[S@@](=O)C(C)(C)C2)cn1 ZINC000089309888 395710059 /nfs/dbraw/zinc/71/00/59/395710059.db2.gz SLBABAVYUKAEHN-SFHVURJKSA-N 0 0 305.425 0.435 50 0 DCAARN COCCCOc1ccccc1NC(=O)N(CCO)CCO ZINC000089410361 395710948 /nfs/dbraw/zinc/71/09/48/395710948.db2.gz NYSOWQPORKVCKJ-UHFFFAOYSA-N 0 0 312.366 0.920 50 0 DCAARN COCCNC(=O)CNC(=O)c1ccc(OCC(F)F)nc1 ZINC000089414629 395711316 /nfs/dbraw/zinc/71/13/16/395711316.db2.gz WEKZDRFBUFYMSY-UHFFFAOYSA-N 0 0 317.292 0.218 50 0 DCAARN CC(C)N1CCNC(=O)[C@@H]1Cc1nc(-c2cccnc2)no1 ZINC000032590472 395711533 /nfs/dbraw/zinc/71/15/33/395711533.db2.gz SGCBBDCNBCIBRM-LBPRGKRZSA-N 0 0 301.350 0.883 50 0 DCAARN CCOC(=O)CN1C(=O)CS[C@@]12C(=O)Nc1ccccc12 ZINC000032594593 395711559 /nfs/dbraw/zinc/71/15/59/395711559.db2.gz GLYGGRQLEHJWRW-AWEZNQCLSA-N 0 0 306.343 0.930 50 0 DCAARN O=C(CN1CCN(C(=O)Cc2ccccc2F)CC1)NC1CC1 ZINC000032748113 395712679 /nfs/dbraw/zinc/71/26/79/395712679.db2.gz VSBWCILNKJLTQI-UHFFFAOYSA-N 0 0 319.380 0.791 50 0 DCAARN Cc1cc(CN2CCN(C(=O)NC[C@@H]3CCOC3)CC2)no1 ZINC000089604815 395713515 /nfs/dbraw/zinc/71/35/15/395713515.db2.gz RDPAITXNVADUJF-ZDUSSCGKSA-N 0 0 308.382 0.847 50 0 DCAARN O=C(Cn1ccccc1=O)NCc1ccccc1Cn1cncn1 ZINC000032818651 395713586 /nfs/dbraw/zinc/71/35/86/395713586.db2.gz KRJNDPSBNLGOKC-UHFFFAOYSA-N 0 0 323.356 0.805 50 0 DCAARN O=C(NCc1ccc(N2CCCCC2)nc1)[C@H]1CNC(=O)N1 ZINC000089794230 395715233 /nfs/dbraw/zinc/71/52/33/395715233.db2.gz QQMRBFOLKORARC-GFCCVEGCSA-N 0 0 303.366 0.370 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000036744835 395724363 /nfs/dbraw/zinc/72/43/63/395724363.db2.gz ZRUJSCSWKWNCJK-UHFFFAOYSA-N 0 0 318.830 0.659 50 0 DCAARN COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CCCO)C3)cc1 ZINC000035590244 395720619 /nfs/dbraw/zinc/72/06/19/395720619.db2.gz LHQKFNVHUUJTHQ-CQSZACIVSA-N 0 0 317.345 0.528 50 0 DCAARN O=C(CNC(=O)[C@@H]1Cc2ccccc2CN1)NC[C@@H]1CCCO1 ZINC000035485336 395720651 /nfs/dbraw/zinc/72/06/51/395720651.db2.gz BLGNNNCFVIPVRR-GJZGRUSLSA-N 0 0 317.389 0.112 50 0 DCAARN O=C(CNC(=O)[C@H]1Cc2ccccc2CN1)NC1CCCC1 ZINC000036548439 395723420 /nfs/dbraw/zinc/72/34/20/395723420.db2.gz BVCPVYIGHQGRRP-OAHLLOKOSA-N 0 0 301.390 0.876 50 0 DCAARN COCCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 ZINC000028263131 395695990 /nfs/dbraw/zinc/69/59/90/395695990.db2.gz OSGQZEGOLYRSBE-NSHDSACASA-N 0 0 322.361 0.819 50 0 DCAARN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCNC(=O)C2)C1 ZINC000028622745 395696108 /nfs/dbraw/zinc/69/61/08/395696108.db2.gz WRLYGJBLDTXXAX-LLVKDONJSA-N 0 0 311.382 0.592 50 0 DCAARN CN(C[C@@H]1CN(CCc2cnn(C)c2)CCO1)c1cccnn1 ZINC000084318372 395697469 /nfs/dbraw/zinc/69/74/69/395697469.db2.gz AUZYXJMAAQBPRB-OAHLLOKOSA-N 0 0 316.409 0.590 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCc1ccc(Cl)cc1 ZINC000038488397 395732064 /nfs/dbraw/zinc/73/20/64/395732064.db2.gz FMNBNFIGUFMBCP-UHFFFAOYSA-N 0 0 307.737 0.884 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1nc2c(s1)CCCC2 ZINC000038488385 395731980 /nfs/dbraw/zinc/73/19/80/395731980.db2.gz HJCRKLPZQOBQJG-UHFFFAOYSA-N 0 0 320.374 0.888 50 0 DCAARN CC(=O)N1CCN(CC(=O)NCCc2ccc(F)cc2)CC1 ZINC000038335172 395732005 /nfs/dbraw/zinc/73/20/05/395732005.db2.gz UVGUPRGZFGOIJQ-UHFFFAOYSA-N 0 0 307.369 0.649 50 0 DCAARN CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCCCC3)cc21 ZINC000040267668 395733139 /nfs/dbraw/zinc/73/31/39/395733139.db2.gz ZTKPZRBGMLDBMZ-UHFFFAOYSA-N 0 0 317.345 0.993 50 0 DCAARN C[C@@H]1CN(CC(=O)N2CCN(c3ncccn3)CC2)[C@H](C)CO1 ZINC000040501481 395734143 /nfs/dbraw/zinc/73/41/43/395734143.db2.gz JNQIWOPHFMZZIY-ZIAGYGMSSA-N 0 0 319.409 0.234 50 0 DCAARN CN(C)c1nc(N2CCN(CCO)CC2)nc2ccccc21 ZINC000041147190 395736014 /nfs/dbraw/zinc/73/60/14/395736014.db2.gz XQBAGSJMUAKWRS-UHFFFAOYSA-N 0 0 301.394 0.810 50 0 DCAARN c1nc(N2CCOCC2)ncc1-c1nc([C@H]2CCOC2)no1 ZINC000096161944 395746615 /nfs/dbraw/zinc/74/66/15/395746615.db2.gz WQBIWVLJGJYKRA-JTQLQIEISA-N 0 0 303.322 0.867 50 0 DCAARN Cn1cc(CCc2nc(CC(N)=O)nn2-c2ccccc2)cn1 ZINC000096161957 395746652 /nfs/dbraw/zinc/74/66/52/395746652.db2.gz KJIJNWHUVYOCRH-UHFFFAOYSA-N 0 0 310.361 0.814 50 0 DCAARN COCCNC(=O)[C@@H]1CC(=O)N(c2cnn(CC(C)C)c2)C1 ZINC000096192224 395748451 /nfs/dbraw/zinc/74/84/51/395748451.db2.gz FMZODLVWQBUVDM-GFCCVEGCSA-N 0 0 308.382 0.655 50 0 DCAARN COc1ccccc1CNC(=O)CCNC(=O)c1ccnn1C ZINC000096192638 395748465 /nfs/dbraw/zinc/74/84/65/395748465.db2.gz WBCKTCDCPOIGTD-UHFFFAOYSA-N 0 0 316.361 0.865 50 0 DCAARN COc1ccc(C(=O)NCCS(C)(=O)=O)c(OC)c1OC ZINC000042093468 395742603 /nfs/dbraw/zinc/74/26/03/395742603.db2.gz BTUBPASLMOHNLU-UHFFFAOYSA-N 0 0 317.363 0.487 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N1CCC(S(C)(=O)=O)CC1 ZINC000096098220 395744423 /nfs/dbraw/zinc/74/44/23/395744423.db2.gz IAPDAHWCSODJFN-UHFFFAOYSA-N 0 0 322.408 0.489 50 0 DCAARN Cc1cccc(=O)n1CCCNC(=O)c1cnc(C)[nH]c1=O ZINC000096132192 395745542 /nfs/dbraw/zinc/74/55/42/395745542.db2.gz WMWPYWTWIRODRB-UHFFFAOYSA-N 0 0 302.334 0.369 50 0 DCAARN CN1C[C@H](NS(=O)(=O)c2cc(F)c(F)c(F)c2)CC1=O ZINC000096427877 395753224 /nfs/dbraw/zinc/75/32/24/395753224.db2.gz XZFYFLFXRGGMOH-ZCFIWIBFSA-N 0 0 308.281 0.613 50 0 DCAARN C[C@](NS(C)(=O)=O)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454057 395754032 /nfs/dbraw/zinc/75/40/32/395754032.db2.gz JUJADEHAVIVNCH-SNVBAGLBSA-N 0 0 310.297 0.955 50 0 DCAARN COc1ccc(CCNC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000044441028 395756397 /nfs/dbraw/zinc/75/63/97/395756397.db2.gz DHDMQJWYXVIOCM-UHFFFAOYSA-N 0 0 317.345 0.282 50 0 DCAARN O=C(CCc1nnc2ccccn2c1=O)NCCc1ccncc1 ZINC000096231684 395751054 /nfs/dbraw/zinc/75/10/54/395751054.db2.gz KEGFXBKWFHPLIY-UHFFFAOYSA-N 0 0 323.356 0.776 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000046889715 395782251 /nfs/dbraw/zinc/78/22/51/395782251.db2.gz JXDLAMNHFMUMKR-JSGCOSHPSA-N 0 0 317.389 0.949 50 0 DCAARN Cc1nnc2n1CCN(CC(=O)N1CCO[C@@H]3CCCC[C@H]31)C2 ZINC000106663616 395783403 /nfs/dbraw/zinc/78/34/03/395783403.db2.gz QOWAAWQRSYOOGK-ZIAGYGMSSA-N 0 0 319.409 0.572 50 0 DCAARN CC(C)Cn1nc(C(=O)N(C)CC(N)=O)c2ccccc2c1=O ZINC000046979505 395784547 /nfs/dbraw/zinc/78/45/47/395784547.db2.gz DCAYAGKHEAOCDT-UHFFFAOYSA-N 0 0 316.361 0.610 50 0 DCAARN COCc1cccc(CNC(=O)CN2C(=O)CN(C)C2=O)c1 ZINC000047026362 395786006 /nfs/dbraw/zinc/78/60/06/395786006.db2.gz OUCPSRXHNLYQRS-UHFFFAOYSA-N 0 0 305.334 0.343 50 0 DCAARN C[C@H](c1nnnn1-c1ccccc1)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000108120884 395786476 /nfs/dbraw/zinc/78/64/76/395786476.db2.gz GKKXFAURACPONY-VHDGCEQUSA-N 0 0 314.393 0.738 50 0 DCAARN COC[C@H](c1ccccn1)N(C)C(=O)Cn1cccnc1=O ZINC000097529000 395758741 /nfs/dbraw/zinc/75/87/41/395758741.db2.gz FITSTTRHLVXMPW-CYBMUJFWSA-N 0 0 302.334 0.484 50 0 DCAARN CCCCN(C)S(=O)(=O)N1CCN(c2cnccn2)CC1 ZINC000044914318 395759703 /nfs/dbraw/zinc/75/97/03/395759703.db2.gz KFOWWGWVHHWQED-UHFFFAOYSA-N 0 0 313.427 0.575 50 0 DCAARN Cn1ccn2ncc(C(=O)N3CCN(c4ncccn4)CC3)c12 ZINC000097759153 395760488 /nfs/dbraw/zinc/76/04/88/395760488.db2.gz IPNBFEFASAXZLG-UHFFFAOYSA-N 0 0 311.349 0.425 50 0 DCAARN CCOc1ncccc1CNC(=O)[C@@H]1CCC(=O)NC(=O)N1 ZINC000097759343 395760571 /nfs/dbraw/zinc/76/05/71/395760571.db2.gz IEPZBPOVQZZRFV-JTQLQIEISA-N 0 0 306.322 0.085 50 0 DCAARN Cc1ccc([C@H](C)CCN2CCN(S(N)(=O)=O)CC2)o1 ZINC000097797780 395761110 /nfs/dbraw/zinc/76/11/10/395761110.db2.gz XDGCBWDNWUYMFG-LLVKDONJSA-N 0 0 301.412 0.903 50 0 DCAARN Cc1nn(C)c(C)c1[C@H](C)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC000097985453 395761348 /nfs/dbraw/zinc/76/13/48/395761348.db2.gz VHUFPZXLYHSJNF-OIBJUYFYSA-N 0 0 307.354 0.202 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)NCCc1ccc2c(c1)OCO2 ZINC000097996544 395761460 /nfs/dbraw/zinc/76/14/60/395761460.db2.gz AUXTUHVBTQBLGL-SNVBAGLBSA-N 0 0 319.317 0.062 50 0 DCAARN C[C@H](C(=O)NCc1cccnc1N1CCOCC1)n1cccn1 ZINC000045076406 395761452 /nfs/dbraw/zinc/76/14/52/395761452.db2.gz WSIUXRXDLVEVRX-CYBMUJFWSA-N 0 0 315.377 0.992 50 0 DCAARN CN1[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC000100037020 395762069 /nfs/dbraw/zinc/76/20/69/395762069.db2.gz STECJAGHUSJQJN-FWXGHANASA-N 0 0 303.358 0.918 50 0 fda,metabolite DCAARN COC(=O)c1nnn(C[C@@H](O)c2ccc(OC)cc2)c1CO ZINC000098211171 395762110 /nfs/dbraw/zinc/76/21/10/395762110.db2.gz MVGOYMQWFCJFDD-GFCCVEGCSA-N 0 0 307.306 0.299 50 0 DCAARN C[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@H](C)CO1 ZINC000045449469 395763564 /nfs/dbraw/zinc/76/35/64/395763564.db2.gz CPTFJGHSWXNMFS-GHMZBOCLSA-N 0 0 304.412 0.294 50 0 DCAARN COc1cccc(CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000045654620 395764705 /nfs/dbraw/zinc/76/47/05/395764705.db2.gz GKSKUFZMZSCVKC-LBPRGKRZSA-N 0 0 312.391 0.929 50 0 DCAARN C[C@H](NC(=O)NCc1cccnc1N(C)C)c1nncn1C ZINC000046287203 395775011 /nfs/dbraw/zinc/77/50/11/395775011.db2.gz SBSQQIAZBMCOOO-JTQLQIEISA-N 0 0 303.370 0.837 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)Nc2cccnc2OC)CC1 ZINC000048353916 395814013 /nfs/dbraw/zinc/81/40/13/395814013.db2.gz FQUGNKRFMOYXFJ-UHFFFAOYSA-N 0 0 321.381 0.422 50 0 DCAARN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000048671757 395822131 /nfs/dbraw/zinc/82/21/31/395822131.db2.gz NNOGAFXZOZJXNM-NSHDSACASA-N 0 0 301.368 0.581 50 0 DCAARN COc1ccc(O[C@H]2CCN(C(=O)c3cnccn3)C2)nn1 ZINC000225436320 395859707 /nfs/dbraw/zinc/85/97/07/395859707.db2.gz DWCIAQFEFPWQTJ-JTQLQIEISA-N 0 0 301.306 0.569 50 0 DCAARN Cc1cccn2cc(CCNC(=O)N[C@@H](C)C(=O)N(C)C)nc12 ZINC000195580049 395832348 /nfs/dbraw/zinc/83/23/48/395832348.db2.gz JDIKAIOQWKMTOA-LBPRGKRZSA-N 0 0 317.393 0.961 50 0 DCAARN C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000049911251 395834448 /nfs/dbraw/zinc/83/44/48/395834448.db2.gz OBDDJXIVXIKWGQ-NSHDSACASA-N 0 0 302.371 0.513 50 0 DCAARN CN(CCCc1nccn1C)C(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC000218851037 395843474 /nfs/dbraw/zinc/84/34/74/395843474.db2.gz LGEWHEFDQDKYLZ-LBPRGKRZSA-N 0 0 311.407 0.760 50 0 DCAARN CCCNC(=O)CN1CCC[C@H](CNS(=O)(=O)C(C)C)C1 ZINC000051101852 395844291 /nfs/dbraw/zinc/84/42/91/395844291.db2.gz ALIGHWHUHKQFJB-CYBMUJFWSA-N 0 0 319.471 0.552 50 0 DCAARN Cn1cnnc1CCNC(=O)c1ccc(SCCO)cc1 ZINC000219547229 395845470 /nfs/dbraw/zinc/84/54/70/395845470.db2.gz JIAZHXFDHRWRLE-UHFFFAOYSA-N 0 0 306.391 0.872 50 0 DCAARN COc1ccc([C@H](O)C(=O)NCC2(CO)CCOCC2)cc1 ZINC000219310159 395845655 /nfs/dbraw/zinc/84/56/55/395845655.db2.gz KISFYJDRJSNLBD-AWEZNQCLSA-N 0 0 309.362 0.634 50 0 DCAARN CCc1nccn1CCC(=O)N1CCCN(C(=O)COC)CC1 ZINC000220150902 395847682 /nfs/dbraw/zinc/84/76/82/395847682.db2.gz OKJVRJUJGVQRTN-UHFFFAOYSA-N 0 0 322.409 0.543 50 0 DCAARN Cn1cc([C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@H]2C[C@H](O)C2)cn1 ZINC000220513853 395848562 /nfs/dbraw/zinc/84/85/62/395848562.db2.gz PUIDHVYBVXTJQY-PXWWUCIGSA-N 0 0 315.377 0.874 50 0 DCAARN CCCCOCC(=O)N1CCCn2nc([C@@H](O)CO)cc2C1 ZINC000221365933 395850469 /nfs/dbraw/zinc/85/04/69/395850469.db2.gz XNLPWOQJKFQBLK-AWEZNQCLSA-N 0 0 311.382 0.458 50 0 DCAARN Cc1cn(CC(=O)N[C@@H]2COC3(C2)CCCCC3)c(=O)[nH]c1=O ZINC000221424634 395851041 /nfs/dbraw/zinc/85/10/41/395851041.db2.gz CTHAKFVZQKMMGL-LBPRGKRZSA-N 0 0 321.377 0.453 50 0 DCAARN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)S(=O)(=O)C(C)C ZINC000222050283 395851220 /nfs/dbraw/zinc/85/12/20/395851220.db2.gz NQUWEUSGSNDKKI-MXWKQRLJSA-N 0 0 304.412 0.229 50 0 DCAARN CCOCC(=O)N1CCC(C(=O)N[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000221380974 395851338 /nfs/dbraw/zinc/85/13/38/395851338.db2.gz PCKQMUGOZYSUNR-JTQLQIEISA-N 0 0 323.397 0.565 50 0 DCAARN O=C(CN1CCC[C@@H](O)C1)NCCc1nc2cc(F)ccc2[nH]1 ZINC000222415014 395852796 /nfs/dbraw/zinc/85/27/96/395852796.db2.gz ZWXWFZVGFJRNNX-GFCCVEGCSA-N 0 0 320.368 0.817 50 0 DCAARN Cc1cc(N)n(CC(=O)N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)n1 ZINC000223077057 395854125 /nfs/dbraw/zinc/85/41/25/395854125.db2.gz HDUYNUKWPNPFHI-XHBSWPGZSA-N 0 0 315.377 0.797 50 0 DCAARN O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1nnc[nH]1 ZINC000223096296 395854449 /nfs/dbraw/zinc/85/44/49/395854449.db2.gz YVGNQCCHMIBKFX-ZJUUUORDSA-N 0 0 309.351 0.365 50 0 DCAARN CCO[C@H]1CN(C(=O)CN(C)Cc2ccc(F)cc2)C[C@@H]1O ZINC000223253677 395854517 /nfs/dbraw/zinc/85/45/17/395854517.db2.gz PGUBUEPVOXBAHU-GJZGRUSLSA-N 0 0 310.369 0.866 50 0 DCAARN CCNC(=O)[C@H]1CCN(C(=O)c2nc3ccccc3[nH]c2=O)C1 ZINC000223325806 395855281 /nfs/dbraw/zinc/85/52/81/395855281.db2.gz IGTWFASNWIJMEF-JTQLQIEISA-N 0 0 314.345 0.521 50 0 DCAARN Cc1nc(SCCNC(=O)COC[C@@H]2CCCO2)n[nH]1 ZINC000223587014 395856103 /nfs/dbraw/zinc/85/61/03/395856103.db2.gz HPVMJBYYYOKDFD-JTQLQIEISA-N 0 0 300.384 0.517 50 0 DCAARN CCC[C@H](NC(=O)CCn1ccc(=O)[nH]c1=O)c1nccn1C ZINC000223835885 395856489 /nfs/dbraw/zinc/85/64/89/395856489.db2.gz AOURAZQLTAVMPX-NSHDSACASA-N 0 0 319.365 0.318 50 0 DCAARN NC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)CCc1cccs1 ZINC000225520471 395861400 /nfs/dbraw/zinc/86/14/00/395861400.db2.gz REGNNKSJYGKFIP-QWRGUYRKSA-N 0 0 302.421 0.864 50 0 DCAARN NC(=O)[C@@H]1CCCN1C(=O)CCn1cnc2ccccc2c1=O ZINC000047640681 395798496 /nfs/dbraw/zinc/79/84/96/395798496.db2.gz ZDAOJCLTPSJLFP-ZDUSSCGKSA-N 0 0 314.345 0.263 50 0 biogenic DCAARN CS(=O)(=O)N1CCN(C(=O)CNc2cccc(F)c2)CC1 ZINC000053781003 395889175 /nfs/dbraw/zinc/88/91/75/395889175.db2.gz VZVMAGBQGQYMCZ-UHFFFAOYSA-N 0 0 315.370 0.341 50 0 DCAARN O=C(CCn1cncn1)N1CCN(Cc2ccccn2)CC1 ZINC000054812845 395905960 /nfs/dbraw/zinc/90/59/60/395905960.db2.gz WGXYQWDGIIDHEH-UHFFFAOYSA-N 0 0 300.366 0.408 50 0 DCAARN CCN(Cc1nc(COC)no1)C(=O)c1cc(C)[nH]c(=O)c1 ZINC000055072757 395910363 /nfs/dbraw/zinc/91/03/63/395910363.db2.gz RBOWCJWLQSXTOE-UHFFFAOYSA-N 0 0 306.322 0.875 50 0 DCAARN Cc1ccc(C)c(O[C@H](C)C(=O)NCCNS(C)(=O)=O)c1 ZINC000055211465 395913947 /nfs/dbraw/zinc/91/39/47/395913947.db2.gz UYENOCVZFILWNV-GFCCVEGCSA-N 0 0 314.407 0.736 50 0 DCAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(N)=O ZINC000055214517 395914088 /nfs/dbraw/zinc/91/40/88/395914088.db2.gz QDZPAGUQOHXHBH-QMMMGPOBSA-N 0 0 311.363 0.114 50 0 DCAARN COCc1nc(CNC(=O)CSc2nnc(C)s2)no1 ZINC000055310111 395917054 /nfs/dbraw/zinc/91/70/54/395917054.db2.gz KMDSYTUFPPJUAM-UHFFFAOYSA-N 0 0 315.380 0.784 50 0 DCAARN CC[C@H](C)n1nccc1NC(=O)CCn1ccc(=O)[nH]c1=O ZINC000055343516 395917388 /nfs/dbraw/zinc/91/73/88/395917388.db2.gz SHCTXTYSZAXHTC-JTQLQIEISA-N 0 0 305.338 0.733 50 0 DCAARN COCC(=O)N1CCCN(c2cc(C(=O)OC)ccn2)CC1 ZINC000055504522 395919634 /nfs/dbraw/zinc/91/96/34/395919634.db2.gz XCBWEODGMQLETK-UHFFFAOYSA-N 0 0 307.350 0.553 50 0 DCAARN COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cnn(C)c1 ZINC000055580333 395920019 /nfs/dbraw/zinc/92/00/19/395920019.db2.gz RQQCEUYFYTURHE-UHFFFAOYSA-N 0 0 321.358 0.958 50 0 DCAARN O=C(N1CCNC1=O)N1CCc2nc3ccccn3c(=O)c2C1 ZINC000238878554 395923057 /nfs/dbraw/zinc/92/30/57/395923057.db2.gz ORCOWJHVAUHMDG-UHFFFAOYSA-N 0 0 313.317 0.198 50 0 DCAARN Cc1cc(=O)n(CC(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)cn1 ZINC000244933136 395926566 /nfs/dbraw/zinc/92/65/66/395926566.db2.gz CCWQNFPFSYIRHE-UPJWGTAASA-N 0 0 307.350 0.004 50 0 DCAARN COc1ccc(-c2nnn(CCC(=O)N(C)OC)n2)cc1OC ZINC000225836061 395863897 /nfs/dbraw/zinc/86/38/97/395863897.db2.gz WHLYCTWEMCXWBU-UHFFFAOYSA-N 0 0 321.337 0.767 50 0 DCAARN Cn1nc(C(=O)N[C@H]2CCc3n[nH]c(=O)cc3C2)c2ccccc21 ZINC000225786710 395863953 /nfs/dbraw/zinc/86/39/53/395863953.db2.gz CLAWYAOEGUXHGI-NSHDSACASA-N 0 0 323.356 0.944 50 0 DCAARN CNC(=O)COC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)OC ZINC000052475171 395864119 /nfs/dbraw/zinc/86/41/19/395864119.db2.gz UJOSEOZEKHCQLN-UHFFFAOYSA-N 0 0 310.306 0.144 50 0 DCAARN CCS[C@H]1CC[C@@H](N(C)C(=O)C(=O)Nc2ncnn2C)C1 ZINC000225855059 395864411 /nfs/dbraw/zinc/86/44/11/395864411.db2.gz MHMKRBVKGBOBQE-ZJUUUORDSA-N 0 0 311.411 0.886 50 0 DCAARN NC(=O)[C@H](NC(=O)Cn1cc(C2CC2)nn1)c1ccc(F)cc1 ZINC000132557914 395927677 /nfs/dbraw/zinc/92/76/77/395927677.db2.gz PEQJMUIJUSTOGO-CQSZACIVSA-N 0 0 317.324 0.637 50 0 DCAARN COc1cc(C)c([C@H](C)NC(=O)CN(C)CC(N)=O)cc1OC ZINC000052832101 395871571 /nfs/dbraw/zinc/87/15/71/395871571.db2.gz DIATVJAVZGWYIO-NSHDSACASA-N 0 0 323.393 0.607 50 0 DCAARN CCNC(=O)NC(=O)CN1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000229962894 395876578 /nfs/dbraw/zinc/87/65/78/395876578.db2.gz ZMXXBDUHWVIVFQ-DGCLKSJQSA-N 0 0 323.397 0.011 50 0 DCAARN CNC(=O)[C@@H]1CCCN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000230141392 395878469 /nfs/dbraw/zinc/87/84/69/395878469.db2.gz REYIPPRUPPNHGW-HZSPNIEDSA-N 0 0 309.410 0.367 50 0 DCAARN CCOC(=O)C1=C(CSc2cccc[n+]2[O-])NC(=O)N[C@H]1C ZINC000058342229 395953268 /nfs/dbraw/zinc/95/32/68/395953268.db2.gz RMRBQMQPMMXUBL-VIFPVBQESA-N 0 0 323.374 0.931 50 0 DCAARN CCN1CCO[C@H](CN2CCC[C@@H]2C(=O)NCC(F)(F)F)C1 ZINC000058342978 395953311 /nfs/dbraw/zinc/95/33/11/395953311.db2.gz QCCPKTMJYDMQIR-NWDGAFQWSA-N 0 0 323.359 0.850 50 0 DCAARN C[C@@H]1CN(C(=O)C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])CCO1 ZINC000246875109 395960174 /nfs/dbraw/zinc/96/01/74/395960174.db2.gz VGFOPBSIEGEPAI-RQJABVFESA-N 0 0 310.394 0.951 50 0 DCAARN Cn1c2sc(C(=O)Nc3ccccn3)cc2c(=O)n(C)c1=O ZINC000064950225 395989685 /nfs/dbraw/zinc/98/96/85/395989685.db2.gz RCNFSOJPTAKTHS-UHFFFAOYSA-N 0 0 316.342 0.946 50 0 DCAARN CC(=O)N1CCN(c2nccc(-n3nc(C)cc3C)n2)CC1 ZINC000065240328 395991287 /nfs/dbraw/zinc/99/12/87/395991287.db2.gz BOACPXUAQLKHGJ-UHFFFAOYSA-N 0 0 300.366 0.948 50 0 DCAARN Cc1cc(C(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)nc(N)n1 ZINC000252536556 396022366 /nfs/dbraw/zinc/02/23/66/396022366.db2.gz IVYBTPOKRGZEIF-NDMJEZRESA-N 0 0 316.365 0.343 50 0 DCAARN CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)C2(COC)CCC2)C1 ZINC000252553306 396022892 /nfs/dbraw/zinc/02/28/92/396022892.db2.gz VJNCVQKCQQZMFM-TXEJJXNPSA-N 0 0 322.409 0.969 50 0 DCAARN O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1c[nH]c(=O)[nH]1 ZINC000252537214 396023128 /nfs/dbraw/zinc/02/31/28/396023128.db2.gz KSNNQOFVOIPBPC-GRYCIOLGSA-N 0 0 302.334 0.210 50 0 DCAARN COC[C@@H]1CN(C(=O)C2=NNC(=O)CC2)C[C@H]1c1ccncc1 ZINC000253413582 396028255 /nfs/dbraw/zinc/02/82/55/396028255.db2.gz VDSHZAFALZLRED-STQMWFEESA-N 0 0 316.361 0.536 50 0 DCAARN O=C(NC1CC1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCC2(C1)OCCO2 ZINC000253428980 396028785 /nfs/dbraw/zinc/02/87/85/396028785.db2.gz BSKXKTUGDNHFPX-KGLIPLIRSA-N 0 0 320.389 0.823 50 0 DCAARN COC[C@H](c1ccccn1)N(C)CCn1c(=O)cc(C)[nH]c1=O ZINC000253536521 396030819 /nfs/dbraw/zinc/03/08/19/396030819.db2.gz USFBNNXJQSSLHN-CQSZACIVSA-N 0 0 318.377 0.972 50 0 DCAARN NC(=O)c1cnc2n1CCN(C(=O)COCc1ccccc1)C2 ZINC000067691262 396031213 /nfs/dbraw/zinc/03/12/13/396031213.db2.gz FIUYARYGBUOWNM-UHFFFAOYSA-N 0 0 314.345 0.541 50 0 DCAARN C[C@@H]1CN(C(=O)CN2CCCC[C@H]2Cn2cncn2)CCO1 ZINC000253601260 396031691 /nfs/dbraw/zinc/03/16/91/396031691.db2.gz NOGBPFZHDFPSPO-KGLIPLIRSA-N 0 0 307.398 0.380 50 0 DCAARN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N=c1sccn1C ZINC000254855623 396032036 /nfs/dbraw/zinc/03/20/36/396032036.db2.gz UFFDOITUDDMWBK-DTWKUNHWSA-N 0 0 305.425 0.478 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)N=c2sccn2C)c1 ZINC000254744804 396032065 /nfs/dbraw/zinc/03/20/65/396032065.db2.gz DELCPMNSVLYXOA-UHFFFAOYSA-N 0 0 311.388 0.736 50 0 DCAARN CCn1c(=O)[nH]nc1C1CCN(C(=O)[C@]2(C)CCCO2)CC1 ZINC000067743642 396032508 /nfs/dbraw/zinc/03/25/08/396032508.db2.gz GGUNYDATJJANHF-HNNXBMFYSA-N 0 0 308.382 0.866 50 0 DCAARN CN1CCOc2cc(C(=O)N3CC[N@H+](C)[C@H](C(=O)[O-])C3)ccc21 ZINC000067757264 396033253 /nfs/dbraw/zinc/03/32/53/396033253.db2.gz RCCHYIGTYCLJOG-ZDUSSCGKSA-N 0 0 319.361 0.356 50 0 DCAARN C[C@H](NC(=O)c1cc(COc2cccc(F)c2)n[nH]1)C(N)=O ZINC000067802867 396033965 /nfs/dbraw/zinc/03/39/65/396033965.db2.gz QPXUWUPQPWKBRW-QMMMGPOBSA-N 0 0 306.297 0.731 50 0 DCAARN CC(=O)N[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@H]1CO ZINC000257184335 396034195 /nfs/dbraw/zinc/03/41/95/396034195.db2.gz ILCJDOIPCPMWNF-SWLSCSKDSA-N 0 0 301.346 0.737 50 0 DCAARN Cc1cnc(C(=O)N2CC(n3cnnc3[C@@H]3CCCO3)C2)cn1 ZINC000257177898 396034258 /nfs/dbraw/zinc/03/42/58/396034258.db2.gz YIUSDMRTIKNBQF-ZDUSSCGKSA-N 0 0 314.349 0.925 50 0 DCAARN CCCN1C[C@H](NC(=O)c2nc3ccccc3[nH]c2=O)CC1=O ZINC000067817714 396034620 /nfs/dbraw/zinc/03/46/20/396034620.db2.gz VEBCUMGFQLWAOL-SNVBAGLBSA-N 0 0 314.345 0.664 50 0 DCAARN CN(C)C(=O)CS(=O)(=O)c1ncccc1Br ZINC000154329158 396036518 /nfs/dbraw/zinc/03/65/18/396036518.db2.gz AWSUMFMLVNSLDO-UHFFFAOYSA-N 0 0 307.169 0.706 50 0 DCAARN Cc1nc(C)c(CC(=O)N2[C@@H]3CC[C@H]2CN(C)C(=O)C3)c(=O)[nH]1 ZINC000067868739 396037107 /nfs/dbraw/zinc/03/71/07/396037107.db2.gz MSERBRRWCBLOEU-NEPJUHHUSA-N 0 0 318.377 0.151 50 0 DCAARN CC(C)Cc1cc(C(=O)N2CCn3c(C(N)=O)cnc3C2)on1 ZINC000067948116 396039447 /nfs/dbraw/zinc/03/94/47/396039447.db2.gz HHDNCSXQBACPOE-UHFFFAOYSA-N 0 0 317.349 0.825 50 0 DCAARN CN1CCC[C@@]2(CCN(C(=O)C(=O)c3cccnc3)C2)C1=O ZINC000067967041 396040325 /nfs/dbraw/zinc/04/03/25/396040325.db2.gz XCEQKYZYHASJMD-INIZCTEOSA-N 0 0 301.346 0.735 50 0 DCAARN COc1cccc(OCc2cc(C(=O)NCC(N)=O)[nH]n2)c1 ZINC000067967614 396040394 /nfs/dbraw/zinc/04/03/94/396040394.db2.gz OIQVNDYLFYRWTE-UHFFFAOYSA-N 0 0 304.306 0.212 50 0 DCAARN O=C(Cn1nc2ccccc2n1)N1Cc2cnn(CCO)c2C1 ZINC000067955015 396040721 /nfs/dbraw/zinc/04/07/21/396040721.db2.gz GTGJCEAQBVYKAM-UHFFFAOYSA-N 0 0 312.333 0.163 50 0 DCAARN Cn1ccsc1=NC(=O)COc1ccc(CC(N)=O)cc1 ZINC000252474363 396019955 /nfs/dbraw/zinc/01/99/55/396019955.db2.gz BWBNBWPNVABYAF-UHFFFAOYSA-N 0 0 305.359 0.621 50 0 DCAARN CNS(=O)(=O)NC1CCN(c2ccnc(C(C)C)n2)CC1 ZINC000252491928 396020776 /nfs/dbraw/zinc/02/07/76/396020776.db2.gz LZRVDXQUXBQRDP-UHFFFAOYSA-N 0 0 313.427 0.623 50 0 DCAARN O=C(CCCn1cc(COc2ccccc2)nn1)NCCO ZINC000252484662 396021010 /nfs/dbraw/zinc/02/10/10/396021010.db2.gz GDTSDFWZTRDYMS-UHFFFAOYSA-N 0 0 304.350 0.746 50 0 DCAARN CSCC[C@H](CO)NC(=O)[C@H](c1ccccc1)n1cnnn1 ZINC000252497983 396021923 /nfs/dbraw/zinc/02/19/23/396021923.db2.gz QSZZLTWGIIRHBS-OLZOCXBDSA-N 0 0 321.406 0.493 50 0 DCAARN C[C@@H](O)CN1CCN(CC(=O)NCCc2ccc(F)cc2)CC1 ZINC000069652560 396086451 /nfs/dbraw/zinc/08/64/51/396086451.db2.gz WCAYJIJTGDHAET-CQSZACIVSA-N 0 0 323.412 0.483 50 0 DCAARN O=C(CNS(=O)(=O)C[C@@H]1CCOC1)Nc1cccc(F)c1 ZINC000069739038 396088543 /nfs/dbraw/zinc/08/85/43/396088543.db2.gz AHQHRFQAINXDBS-SNVBAGLBSA-N 0 0 316.354 0.720 50 0 DCAARN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)Nc1nncs1 ZINC000069739190 396088659 /nfs/dbraw/zinc/08/86/59/396088659.db2.gz FYYCPKCXPOCQLP-VXGBXAGGSA-N 0 0 323.422 0.952 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000069739779 396088841 /nfs/dbraw/zinc/08/88/41/396088841.db2.gz HDJNIAHUZQBZTA-MRXNPFEDSA-N 0 0 324.396 0.910 50 0 DCAARN CCN1CCN(C(=O)[C@H](C)N2CC(n3nc(C)cc3C)C2)CC1 ZINC000069770006 396089253 /nfs/dbraw/zinc/08/92/53/396089253.db2.gz DDMVIZPMZVDKBN-HNNXBMFYSA-N 0 0 319.453 0.909 50 0 DCAARN COCCOCC(=O)NCCc1noc(-c2cccnc2)n1 ZINC000169770928 396091239 /nfs/dbraw/zinc/09/12/39/396091239.db2.gz RHCLXESFFYRWIE-UHFFFAOYSA-N 0 0 306.322 0.453 50 0 DCAARN CN(Cc1ccncc1F)[C@H]1CCc2nn(C)c(=O)n2CC1 ZINC000169783371 396091866 /nfs/dbraw/zinc/09/18/66/396091866.db2.gz IGVVKBGLOKDIEI-LBPRGKRZSA-N 0 0 305.357 0.953 50 0 DCAARN CN(C(=O)NCc1ccco1)[C@@H]1CCc2nn(C)c(=O)n2CC1 ZINC000169783382 396091882 /nfs/dbraw/zinc/09/18/82/396091882.db2.gz OLZFMFVJNBRRPR-LLVKDONJSA-N 0 0 319.365 0.721 50 0 DCAARN Cn1ncc(N2CCC[C@H](CC(=O)NCC3CC3)C2)cc1=O ZINC000169779924 396091922 /nfs/dbraw/zinc/09/19/22/396091922.db2.gz GDOGFJHBMSQRHI-CYBMUJFWSA-N 0 0 304.394 0.913 50 0 DCAARN COCCNC(=O)CN1CCCc2nc(C3CC3)ncc2C1=O ZINC000169784929 396092679 /nfs/dbraw/zinc/09/26/79/396092679.db2.gz ICBBCPZHHGFFLV-UHFFFAOYSA-N 0 0 318.377 0.505 50 0 DCAARN Cc1nc2n(n1)C[C@H](NCc1nnnn1-c1ccccc1)CC2 ZINC000069874416 396093240 /nfs/dbraw/zinc/09/32/40/396093240.db2.gz FPYFRKXICPEAKP-GFCCVEGCSA-N 0 0 310.365 0.667 50 0 DCAARN CCn1ccc(C(=O)N[C@@H]2CCc3nnc(COC)n3CC2)n1 ZINC000169790350 396093395 /nfs/dbraw/zinc/09/33/95/396093395.db2.gz OINQWPMNJYRJAN-LLVKDONJSA-N 0 0 318.381 0.776 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)N1CCNC(=O)[C@@H]1C(C)C ZINC000069918126 396094368 /nfs/dbraw/zinc/09/43/68/396094368.db2.gz MNKFUBDLHMBYRW-HNNXBMFYSA-N 0 0 306.410 0.953 50 0 DCAARN CCc1cc(C(=O)N2CCN(C(=O)N(C)C)CC2)c(C)nn1 ZINC000170078784 396094474 /nfs/dbraw/zinc/09/44/74/396094474.db2.gz LARMIGGFYAJVBK-UHFFFAOYSA-N 0 0 305.382 0.787 50 0 DCAARN Cc1ccc(N2CCC[C@H](N(C)CCS(C)(=O)=O)C2)nn1 ZINC000069920735 396094668 /nfs/dbraw/zinc/09/46/68/396094668.db2.gz QGPONWXCRWOHRF-ZDUSSCGKSA-N 0 0 312.439 0.730 50 0 DCAARN O=C(CCc1ccc2c(c1)CCO2)N[C@H]1CCS(=O)(=O)C1 ZINC000170625386 396095907 /nfs/dbraw/zinc/09/59/07/396095907.db2.gz IQYSRXQTNKICLL-ZDUSSCGKSA-N 0 0 309.387 0.857 50 0 DCAARN Cc1cc(C)nc(NCCCC(=O)NCCN2CCOCC2)n1 ZINC000170625360 396096039 /nfs/dbraw/zinc/09/60/39/396096039.db2.gz WLMMRWSHOPUILB-UHFFFAOYSA-N 0 0 321.425 0.734 50 0 DCAARN CCN(C(=O)[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 ZINC000170646473 396096241 /nfs/dbraw/zinc/09/62/41/396096241.db2.gz ZMWGXDAFYOGNDE-UWVGGRQHSA-N 0 0 309.478 0.871 50 0 DCAARN Cc1cc(C)n(-c2cncc(N3CCN(CCO)CC3)n2)n1 ZINC000069951196 396096425 /nfs/dbraw/zinc/09/64/25/396096425.db2.gz YKLJRUNWFUTPRK-UHFFFAOYSA-N 0 0 302.382 0.393 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)c2csc(COC)n2)CC1 ZINC000070014892 396098134 /nfs/dbraw/zinc/09/81/34/396098134.db2.gz CLBABFNBHLVLTI-LLVKDONJSA-N 0 0 313.423 0.818 50 0 DCAARN O=C(c1cc[nH]n1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000070016053 396098275 /nfs/dbraw/zinc/09/82/75/396098275.db2.gz IEKLJGNTRBWOOL-HNNXBMFYSA-N 0 0 300.362 0.901 50 0 DCAARN Cc1cnn(C[C@H]2CCCN2C(=O)CN2CSCC2=O)c1 ZINC000070036559 396098346 /nfs/dbraw/zinc/09/83/46/396098346.db2.gz FLYWUCAIVFUNHG-GFCCVEGCSA-N 0 0 308.407 0.715 50 0 DCAARN CNC(=O)[C@@H]1CCCN1CC(=O)N(C)Cc1cccc(OC)c1 ZINC000170928753 396101706 /nfs/dbraw/zinc/10/17/06/396101706.db2.gz NJMNJLZVYLPOCQ-HNNXBMFYSA-N 0 0 319.405 0.864 50 0 DCAARN O=C(Cn1nc2ncccn2c1=O)Nc1ccc2c(c1)OCO2 ZINC000070701723 396104188 /nfs/dbraw/zinc/10/41/88/396104188.db2.gz OIZVHNCWUGJPGO-UHFFFAOYSA-N 0 0 313.273 0.258 50 0 DCAARN COc1ccc2nnc(CCC(=O)Nc3nncs3)n2n1 ZINC000071285990 396111575 /nfs/dbraw/zinc/11/15/75/396111575.db2.gz XJPXNKBWOQNAOT-UHFFFAOYSA-N 0 0 305.323 0.556 50 0 DCAARN COc1ccnc(N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000071793336 396115335 /nfs/dbraw/zinc/11/53/35/396115335.db2.gz MVGYUJXVOVPGKU-LBPRGKRZSA-N 0 0 306.366 0.560 50 0 DCAARN Cc1noc(C)c1CN1CCN(Cc2nnnn2C2CC2)CC1 ZINC000071836914 396117670 /nfs/dbraw/zinc/11/76/70/396117670.db2.gz XKVNPMGHVBCHKA-UHFFFAOYSA-N 0 0 317.397 0.931 50 0 DCAARN CCCC[C@@H](NC(N)=O)C(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000071831119 396117678 /nfs/dbraw/zinc/11/76/78/396117678.db2.gz XUFXYPLYVDEWRF-VXGBXAGGSA-N 0 0 306.366 0.556 50 0 DCAARN Cn1cc([C@H]2C[C@H]2C(=O)N2CCN(c3cnccn3)CC2)cn1 ZINC000071830469 396117999 /nfs/dbraw/zinc/11/79/99/396117999.db2.gz NIFVYXCGGZAQRV-ZIAGYGMSSA-N 0 0 312.377 0.662 50 0 DCAARN O=C(CN1CSCC1=O)N1CCC(Nc2cccnn2)CC1 ZINC000071863331 396119498 /nfs/dbraw/zinc/11/94/98/396119498.db2.gz HGFQWPADKKMJMA-UHFFFAOYSA-N 0 0 321.406 0.412 50 0 DCAARN CCc1nnc2n1CCN(C[C@H](O)COCc1ccco1)C2 ZINC000071876966 396121352 /nfs/dbraw/zinc/12/13/52/396121352.db2.gz LYOLFVORGKQDEA-LBPRGKRZSA-N 0 0 306.366 0.827 50 0 DCAARN CNC(=O)c1ccc(N2CCC[C@@H](c3nc(C)no3)C2)nn1 ZINC000071922424 396125694 /nfs/dbraw/zinc/12/56/94/396125694.db2.gz SOIBPSVTTMPGJQ-SNVBAGLBSA-N 0 0 302.338 0.912 50 0 DCAARN Cc1ccc(=O)n(CC(=O)N2CCC[C@H](n3cncn3)C2)n1 ZINC000072235128 396127275 /nfs/dbraw/zinc/12/72/75/396127275.db2.gz CRRIWUNUNYLZME-LBPRGKRZSA-N 0 0 302.338 0.007 50 0 DCAARN COc1cccc(-c2cc(C(=O)N3CC[C@H](O)[C@@H](O)C3)[nH]n2)c1 ZINC000072132067 396127385 /nfs/dbraw/zinc/12/73/85/396127385.db2.gz VMDPNHFBJFODBJ-GJZGRUSLSA-N 0 0 317.345 0.653 50 0 DCAARN CCN1CCN(C(=O)[C@@H](C)N2CC(n3cc(C)cn3)C2)CC1 ZINC000072253832 396128266 /nfs/dbraw/zinc/12/82/66/396128266.db2.gz BAUMIPXSLGMTKN-CQSZACIVSA-N 0 0 305.426 0.601 50 0 DCAARN CN(C)c1ccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)nn1 ZINC000072269906 396129053 /nfs/dbraw/zinc/12/90/53/396129053.db2.gz IFNGWQLIRITOQJ-KBPBESRZSA-N 0 0 319.409 0.214 50 0 DCAARN C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)CCCn2ccnc2)CC1 ZINC000072297616 396130745 /nfs/dbraw/zinc/13/07/45/396130745.db2.gz JMBMPNDOLWELNT-UONOGXRCSA-N 0 0 304.394 0.990 50 0 DCAARN CC(=O)N1CCN(CCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072448346 396131718 /nfs/dbraw/zinc/13/17/18/396131718.db2.gz RMLTZRPDKKPVIS-JKSUJKDBSA-N 0 0 322.430 0.559 50 0 DCAARN CCC(CO)(CO)NC(=O)Nc1cccc(-c2nnco2)c1 ZINC000072314050 396131733 /nfs/dbraw/zinc/13/17/33/396131733.db2.gz MHDYBSHREQVAOY-UHFFFAOYSA-N 0 0 306.322 0.992 50 0 DCAARN Cc1cc(C)cc(C(=O)NCC(=O)N2CCS(=O)CC2)c1 ZINC000069369246 396075821 /nfs/dbraw/zinc/07/58/21/396075821.db2.gz JFRVKSRTRWDJTG-UHFFFAOYSA-N 0 0 308.403 0.624 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)CCCCCO)no1 ZINC000069352108 396076056 /nfs/dbraw/zinc/07/60/56/396076056.db2.gz RESLUAPTHSKTMS-SNVBAGLBSA-N 0 0 304.368 0.887 50 0 DCAARN Cc1csc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)n1 ZINC000069392560 396077445 /nfs/dbraw/zinc/07/74/45/396077445.db2.gz MTXPCSUPIJUDSX-LBPRGKRZSA-N 0 0 321.406 0.988 50 0 DCAARN CCc1nn2c(nc(CN3CC(n4cccn4)C3)cc2=O)s1 ZINC000069417752 396078148 /nfs/dbraw/zinc/07/81/48/396078148.db2.gz AJVWBAXBRAJDPU-UHFFFAOYSA-N 0 0 316.390 0.967 50 0 DCAARN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@H](C)CC(=O)c1cccs1 ZINC000277629768 396078379 /nfs/dbraw/zinc/07/83/79/396078379.db2.gz BZOTUPPXEFXWAQ-ADEWGFFLSA-N 0 0 324.402 0.807 50 0 DCAARN COC(=O)c1n[nH]c2ccc(NC(=O)CCn3cncn3)cc21 ZINC000069485119 396080497 /nfs/dbraw/zinc/08/04/97/396080497.db2.gz PKHVIKZZKKJQOK-UHFFFAOYSA-N 0 0 314.305 0.970 50 0 DCAARN CCc1nnc2n1CCN([C@@H](C)C(=O)Nc1cc(C)on1)C2 ZINC000069528307 396081891 /nfs/dbraw/zinc/08/18/91/396081891.db2.gz ABXYHTFAPANJEL-JTQLQIEISA-N 0 0 304.354 0.980 50 0 DCAARN Cc1cnn(C[C@H]2CN(CC(=O)Nc3ccncc3)CCO2)c1 ZINC000069560256 396082867 /nfs/dbraw/zinc/08/28/67/396082867.db2.gz YQEUKIWXWQOSGC-OAHLLOKOSA-N 0 0 315.377 0.926 50 0 DCAARN COC(=O)c1cccc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)c1 ZINC000069562618 396082896 /nfs/dbraw/zinc/08/28/96/396082896.db2.gz SZXQIECEHQQWGH-GFCCVEGCSA-N 0 0 316.313 0.493 50 0 DCAARN Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)Nc2nncs2)n1 ZINC000069587630 396083896 /nfs/dbraw/zinc/08/38/96/396083896.db2.gz YAXJSHMCPUJJNM-NSHDSACASA-N 0 0 321.410 0.850 50 0 DCAARN O=c1ccn(Cc2nc(COc3ccccc3)no2)c(=O)[nH]1 ZINC000069600438 396084552 /nfs/dbraw/zinc/08/45/52/396084552.db2.gz HJQWPCGNPQAHAI-UHFFFAOYSA-N 0 0 300.274 0.547 50 0 DCAARN CS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000069619112 396084623 /nfs/dbraw/zinc/08/46/23/396084623.db2.gz WEINSYCRWQGLCB-CYBMUJFWSA-N 0 0 324.402 0.569 50 0 DCAARN COCCN1CCN(CC(=O)NCc2ccc(OC)cc2)CC1 ZINC000069628031 396085513 /nfs/dbraw/zinc/08/55/13/396085513.db2.gz WQARCJBEFKWKHS-UHFFFAOYSA-N 0 0 321.421 0.575 50 0 DCAARN CN(C[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1ccn(C)n1 ZINC000279398270 396172067 /nfs/dbraw/zinc/17/20/67/396172067.db2.gz ZLXCIQSXAUPYGP-LLVKDONJSA-N 0 0 314.345 0.513 50 0 DCAARN 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ZINC000019332256 415153834 /nfs/dbraw/zinc/15/38/34/415153834.db2.gz VUVWTFLFMZIMLX-ZBINZKHDSA-N 0 0 304.350 0.893 50 0 DCAARN O[C@H](CN1CCN(C[C@H](O)C(F)(F)F)CC1)C(F)(F)F ZINC000022804883 415158501 /nfs/dbraw/zinc/15/85/01/415158501.db2.gz RKHWNUJKWCLCQP-OCAPTIKFSA-N 0 0 310.238 0.450 50 0 DCAARN O=S(=O)(c1ccc(F)cc1F)N1CCN(CCO)CC1 ZINC000025286465 415161289 /nfs/dbraw/zinc/16/12/89/415161289.db2.gz GNCDPOQUSPZDJD-UHFFFAOYSA-N 0 0 306.334 0.263 50 0 DCAARN CC(=O)Cn1ncc(N2CCOCC2)c(Br)c1=O ZINC000001392647 415124467 /nfs/dbraw/zinc/12/44/67/415124467.db2.gz YMSWXZGMTLEYOX-UHFFFAOYSA-N 0 0 316.155 0.431 50 0 DCAARN CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 ZINC000001530621 415126148 /nfs/dbraw/zinc/12/61/48/415126148.db2.gz IAVUPMFITXYVAF-XPUUQOCRSA-N 0 0 324.449 0.612 50 0 fda DCAARN CC1=NN(CC(C)C)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 ZINC000004316609 415127966 /nfs/dbraw/zinc/12/79/66/415127966.db2.gz YVIMRVDFHCBUBV-UHFFFAOYSA-N 0 0 304.354 0.286 50 0 DCAARN CC(C)[NH+]1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)CC1 ZINC000003882702 415128677 /nfs/dbraw/zinc/12/86/77/415128677.db2.gz WPMPUQODTSAUIV-VWPFQQQWSA-N 0 0 320.389 0.726 50 0 DCAARN CC(C)C[C@@H](C(=O)OCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000006358035 415134435 /nfs/dbraw/zinc/13/44/35/415134435.db2.gz PZXMSPNDSKDSDQ-LBPRGKRZSA-N 0 0 318.329 0.726 50 0 DCAARN NC(=O)NC(=O)COC(=O)c1cc(O)c2ccccc2c1O ZINC000007003950 415136234 /nfs/dbraw/zinc/13/62/34/415136234.db2.gz GJQLHJXLNGJZHW-UHFFFAOYSA-N 0 0 304.258 0.603 50 0 DCAARN CCOC(=O)NC(=O)COC(=O)CNC(=O)C1CCCCC1 ZINC000007563224 415142063 /nfs/dbraw/zinc/14/20/63/415142063.db2.gz APOMOJYGYHCOPS-UHFFFAOYSA-N 0 0 314.338 0.499 50 0 DCAARN COc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)NC2CC2)cc1 ZINC000007678692 415142391 /nfs/dbraw/zinc/14/23/91/415142391.db2.gz KXURJDMHKSQYGI-JTQLQIEISA-N 0 0 320.345 0.635 50 0 DCAARN CCOc1ccnc2c1c(=O)n(Cc1ccccn1)c(=O)n2C ZINC000009571924 415143471 /nfs/dbraw/zinc/14/34/71/415143471.db2.gz CVNHMMMGGUVHLY-UHFFFAOYSA-N 0 0 312.329 0.937 50 0 DCAARN O[C@@H](CNCc1cnn(-c2ccccc2)n1)CN1CCOCC1 ZINC000008756550 415144278 /nfs/dbraw/zinc/14/42/78/415144278.db2.gz NEPKQZHHQQHRFZ-INIZCTEOSA-N 0 0 317.393 0.050 50 0 DCAARN O=C(COC(=O)C1=COCCO1)NC(=O)Cc1ccccc1 ZINC000007983479 415144587 /nfs/dbraw/zinc/14/45/87/415144587.db2.gz UQKWDWGXVRHGON-UHFFFAOYSA-N 0 0 305.286 0.303 50 0 DCAARN O=C(NCCCO)[C@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000008791923 415144662 /nfs/dbraw/zinc/14/46/62/415144662.db2.gz KYMRZDITJWISAV-JTQLQIEISA-N 0 0 304.354 0.068 50 0 biogenic DCAARN CCCn1c(N)c(C(=O)CN2C[C@H](C)C[C@H](C)C2)c(=O)[nH]c1=O ZINC000007811121 415146595 /nfs/dbraw/zinc/14/65/95/415146595.db2.gz FKBOQHZGVFLNOH-PHIMTYICSA-N 0 0 322.409 0.689 50 0 DCAARN Nc1n[nH]c(SCC(=O)N2CCN(c3ccccn3)CC2)n1 ZINC000007897244 415146747 /nfs/dbraw/zinc/14/67/47/415146747.db2.gz QIBDSJKUYWFCIL-UHFFFAOYSA-N 0 0 319.394 0.223 50 0 DCAARN COC(=O)c1ccc(CNC(=O)NCCN2CCOCC2)cc1 ZINC000026182422 415165154 /nfs/dbraw/zinc/16/51/54/415165154.db2.gz MWHRHEQPIBYOSL-UHFFFAOYSA-N 0 0 321.377 0.605 50 0 DCAARN CONC(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000025825479 415166464 /nfs/dbraw/zinc/16/64/64/415166464.db2.gz XYTKWBOYWTXZNW-UHFFFAOYSA-N 0 0 300.380 0.958 50 0 DCAARN C[C@@H]1CN(CCOc2ccc(S(N)(=O)=O)cc2)[C@@H](C)CO1 ZINC000027646813 415171912 /nfs/dbraw/zinc/17/19/12/415171912.db2.gz VXAHUUUEDGPKPC-NWDGAFQWSA-N 0 0 314.407 0.822 50 0 DCAARN Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCC1CC1 ZINC000027467684 415172443 /nfs/dbraw/zinc/17/24/43/415172443.db2.gz QVOTZFPVGPJYAX-UHFFFAOYSA-N 0 0 315.377 0.904 50 0 DCAARN CN(CCS(=O)(=O)CCC(N)=O)[C@H]1CCc2ccccc21 ZINC000042626993 415210065 /nfs/dbraw/zinc/21/00/65/415210065.db2.gz ZWJWLWBNIHCGQE-AWEZNQCLSA-N 0 0 310.419 0.896 50 0 DCAARN C[C@@H](C(=O)NCc1ccccc1Cn1cccn1)S(C)(=O)=O ZINC000044936410 415233572 /nfs/dbraw/zinc/23/35/72/415233572.db2.gz IVDKXEVMVJTWAL-LBPRGKRZSA-N 0 0 321.402 0.981 50 0 DCAARN C[C@@H]1CCCN(C(=O)CS(=O)(=O)c2nnc3ccccn32)C1 ZINC000044948118 415234750 /nfs/dbraw/zinc/23/47/50/415234750.db2.gz MIUKXPFOFCBYCW-LLVKDONJSA-N 0 0 322.390 0.762 50 0 DCAARN COc1ccc(CNC(=O)[C@H](C)S(C)(=O)=O)cc1OC ZINC000044938424 415235622 /nfs/dbraw/zinc/23/56/22/415235622.db2.gz HKMCBVRCAZQDPN-VIFPVBQESA-N 0 0 301.364 0.753 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)CCN1CCSC1=O ZINC000044940441 415235773 /nfs/dbraw/zinc/23/57/73/415235773.db2.gz HPVGEMHWSXVMNO-NSHDSACASA-N 0 0 301.412 0.382 50 0 DCAARN COc1cccc(S(=O)(=O)Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000044947650 415236286 /nfs/dbraw/zinc/23/62/86/415236286.db2.gz XHLSFVCCYNJBOB-UHFFFAOYSA-N 0 0 324.358 0.067 50 0 DCAARN C[C@@H](C(=O)N(C)Cc1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000044936369 415236786 /nfs/dbraw/zinc/23/67/86/415236786.db2.gz CPVNLGCZMBTHOH-JTQLQIEISA-N 0 0 313.375 0.849 50 0 DCAARN C[C@@H](C(=O)N1CCCN(C[C@@H]2CCCO2)CC1)S(C)(=O)=O ZINC000044949531 415239889 /nfs/dbraw/zinc/23/98/89/415239889.db2.gz OGHHCHPEBOADQG-STQMWFEESA-N 0 0 318.439 0.133 50 0 DCAARN CC(C)[C@H](CNC(=O)NCCc1cnn(C)c1)N1CCOCC1 ZINC000044967647 415240404 /nfs/dbraw/zinc/24/04/04/415240404.db2.gz NVBRQXDHUFQLNJ-HNNXBMFYSA-N 0 0 323.441 0.619 50 0 DCAARN COc1ncccc1CNC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000045653491 415252212 /nfs/dbraw/zinc/25/22/12/415252212.db2.gz HPUZLHPBERKLDA-JTQLQIEISA-N 0 0 313.379 0.324 50 0 DCAARN NS(=O)(=O)c1ccc(CNC(=O)CC[C@@H]2CCCO2)cc1 ZINC000046306399 415258265 /nfs/dbraw/zinc/25/82/65/415258265.db2.gz VZSRQULRSUHBQL-LBPRGKRZSA-N 0 0 312.391 0.909 50 0 DCAARN COC(=O)C(C)(C)NC(=O)Cn1nc(C)c2ccccc2c1=O ZINC000046217664 415259336 /nfs/dbraw/zinc/25/93/36/415259336.db2.gz ZHCQEKJHZPBFGO-UHFFFAOYSA-N 0 0 317.345 0.773 50 0 DCAARN C[C@H](NC(=O)N1CCN(c2cnccn2)CC1)c1nncn1C ZINC000046962001 415263938 /nfs/dbraw/zinc/26/39/38/415263938.db2.gz ZVPJRGDPSFSKQO-NSHDSACASA-N 0 0 316.369 0.198 50 0 DCAARN O=C(Nc1nnc(-c2ccccn2)s1)N1CCNC(=O)C1 ZINC000047789518 415279714 /nfs/dbraw/zinc/27/97/14/415279714.db2.gz NXUMKAUFLUDILA-UHFFFAOYSA-N 0 0 304.335 0.564 50 0 DCAARN Cn1cnnc1[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000047926289 415279805 /nfs/dbraw/zinc/27/98/05/415279805.db2.gz RMCXEBDWVQDXFI-LBPRGKRZSA-N 0 0 313.427 0.725 50 0 DCAARN CCn1cnnc1CNC(=O)Nc1ccc(-n2cncn2)nc1 ZINC000048131751 415283230 /nfs/dbraw/zinc/28/32/30/415283230.db2.gz IWZOWHUTMJNQHW-UHFFFAOYSA-N 0 0 313.325 0.595 50 0 DCAARN CCN1C(=O)C[C@H](Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)C1=O ZINC000044828174 415226088 /nfs/dbraw/zinc/22/60/88/415226088.db2.gz OWQIAKCWXCXJNP-KCJUWKMLSA-N 0 0 303.318 0.965 50 0 DCAARN Cc1cc(CN2CCN(C(=O)c3cnn(C)c3C)CC2)on1 ZINC000044893870 415229742 /nfs/dbraw/zinc/22/97/42/415229742.db2.gz LLPLNZITUWGHCL-UHFFFAOYSA-N 0 0 303.366 0.983 50 0 DCAARN CC(=O)N1CCCN(C(=O)CCn2c(C)csc2=O)CC1 ZINC000044891850 415229790 /nfs/dbraw/zinc/22/97/90/415229790.db2.gz AVUCIBOQGDZMPA-UHFFFAOYSA-N 0 0 311.407 0.689 50 0 DCAARN CCN1CCc2ncnc(N3CCC[C@@H]3C(=O)N(C)C)c2C1 ZINC000065487593 415355587 /nfs/dbraw/zinc/35/55/87/415355587.db2.gz HZUUOJRHWXQVGH-CQSZACIVSA-N 0 0 303.410 0.912 50 0 DCAARN CS(=O)(=O)NCCC(=O)Nc1ccc(N2CCCC2)nc1 ZINC000048261479 415288454 /nfs/dbraw/zinc/28/84/54/415288454.db2.gz BFAIJVVBYURYAE-UHFFFAOYSA-N 0 0 312.395 0.560 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccnc(-n2ccnc2)c1 ZINC000048318192 415291170 /nfs/dbraw/zinc/29/11/70/415291170.db2.gz NVGDKBUSOJMFKO-NSHDSACASA-N 0 0 306.347 0.184 50 0 DCAARN Cc1[nH]c(=S)sc1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000048390014 415292902 /nfs/dbraw/zinc/29/29/02/415292902.db2.gz CUPPCKZSEOYOSE-ZETCQYMHSA-N 0 0 306.434 0.586 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)NCc2ccoc2)C1 ZINC000048308699 415292916 /nfs/dbraw/zinc/29/29/16/415292916.db2.gz OEVOPWORFBSCPF-NSHDSACASA-N 0 0 301.368 0.503 50 0 DCAARN O=C(Cn1cnc2sccc2c1=O)N1C[C@@H](F)C[C@H]1CO ZINC000332230097 415303450 /nfs/dbraw/zinc/30/34/50/415303450.db2.gz LVQVSXFMRHELCM-IUCAKERBSA-N 0 0 311.338 0.389 50 0 DCAARN CCC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000057735333 415337999 /nfs/dbraw/zinc/33/79/99/415337999.db2.gz OMHOHYJYDGHOHD-UHFFFAOYSA-N 0 0 311.407 0.653 50 0 DCAARN COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000068717479 415393851 /nfs/dbraw/zinc/39/38/51/415393851.db2.gz IUPQETILXFMZOE-ZETCQYMHSA-N 0 0 312.244 0.439 50 0 DCAARN CC(C)[C@@H](C(=O)N1CCN(C[C@@H](C)O)CC1)N1CCCC1=O ZINC000069739675 415399735 /nfs/dbraw/zinc/39/97/35/415399735.db2.gz WUORKBWFGHSGEO-HIFRSBDPSA-N 0 0 311.426 0.158 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C ZINC000071880134 415410471 /nfs/dbraw/zinc/41/04/71/415410471.db2.gz GMSGCBOWJAZHNR-SNVBAGLBSA-N 0 0 315.439 0.529 50 0 DCAARN COCCOc1ccc(NC(=O)N(C)[C@@H]2CCN(C)C2=O)cn1 ZINC000072291884 415414936 /nfs/dbraw/zinc/41/49/36/415414936.db2.gz HJYBOXDPRQPFBS-GFCCVEGCSA-N 0 0 322.365 0.801 50 0 DCAARN O=C(CO)N1CCN(Cc2ccc(F)c(F)c2)[C@@H](CCO)C1 ZINC000072435644 415416260 /nfs/dbraw/zinc/41/62/60/415416260.db2.gz NFXOTNYXIRVSMV-LBPRGKRZSA-N 0 0 314.332 0.352 50 0 DCAARN Cn1c(C[S@@](=O)CCCc2ccccc2)cc(=O)n(C)c1=O ZINC000066298149 415358301 /nfs/dbraw/zinc/35/83/01/415358301.db2.gz XTXWIZXDDPEHMJ-JOCHJYFZSA-N 0 0 320.414 0.966 50 0 DCAARN CCN1CCN(C(=O)CCN2CCCCCC2=O)[C@@H](C)C1=O ZINC000067790424 415384666 /nfs/dbraw/zinc/38/46/66/415384666.db2.gz XPAUCFOOGLIBDZ-ZDUSSCGKSA-N 0 0 309.410 0.858 50 0 DCAARN Cc1nsc(N2CCN(Cc3cc(=O)c(O)co3)CC2)n1 ZINC000081576950 415485218 /nfs/dbraw/zinc/48/52/18/415485218.db2.gz VSFYIODXUOTKSR-UHFFFAOYSA-N 0 0 308.363 0.828 50 0 DCAARN Cc1ccccc1CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000084243924 415490997 /nfs/dbraw/zinc/49/09/97/415490997.db2.gz WVOCCNFSZVPIKU-CVEARBPZSA-N 0 0 324.446 0.271 50 0 DCAARN O=S(=O)(NCCc1nnc(-c2ccccc2)o1)c1c[nH]cn1 ZINC000084569180 415496405 /nfs/dbraw/zinc/49/64/05/415496405.db2.gz PXCOBCLFJCJGQN-UHFFFAOYSA-N 0 0 319.346 0.981 50 0 DCAARN COc1ccccc1OCC(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000084753064 415499690 /nfs/dbraw/zinc/49/96/90/415499690.db2.gz SCYBQXUOTSNHHG-CYBMUJFWSA-N 0 0 322.361 0.438 50 0 DCAARN CC(C)CCC(=O)NCC(=O)NC[C@H](c1cnn(C)c1)N(C)C ZINC000075140655 415437384 /nfs/dbraw/zinc/43/73/84/415437384.db2.gz NWSTXAQXJIFZIY-CQSZACIVSA-N 0 0 323.441 0.691 50 0 DCAARN Cn1cccc1[C@@H](O)CNC(=O)C(=O)NCc1cccs1 ZINC000075155143 415439425 /nfs/dbraw/zinc/43/94/25/415439425.db2.gz KDWROBKNLYGTHS-LBPRGKRZSA-N 0 0 307.375 0.553 50 0 DCAARN CN(C[C@H]1CCCCO1)C(=O)c1cccc(S(N)(=O)=O)c1 ZINC000095361537 415553787 /nfs/dbraw/zinc/55/37/87/415553787.db2.gz YGSLTOLRGQGPCF-GFCCVEGCSA-N 0 0 312.391 0.975 50 0 DCAARN Cn1ccc(CN2CCN(C(=O)c3ccccn3)CC2)cc1=O ZINC000095951861 415564841 /nfs/dbraw/zinc/56/48/41/415564841.db2.gz PPOOGJHZFLZWIX-UHFFFAOYSA-N 0 0 312.373 0.738 50 0 DCAARN CCN1CCN(C(=O)c2cccc(-n3nnnc3C)c2)CC1 ZINC000095477160 415565568 /nfs/dbraw/zinc/56/55/68/415565568.db2.gz HKULZKXJYFWSTD-UHFFFAOYSA-N 0 0 300.366 0.748 50 0 DCAARN COCC1CCN(C(=O)NCC2(N3CCOCC3)CC2)CC1 ZINC000333136623 415566381 /nfs/dbraw/zinc/56/63/81/415566381.db2.gz JNORFGDQOGKTJP-UHFFFAOYSA-N 0 0 311.426 0.919 50 0 DCAARN NC(=O)N1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000095997020 415566723 /nfs/dbraw/zinc/56/67/23/415566723.db2.gz LMPWPGKPZQADLF-UHFFFAOYSA-N 0 0 319.333 0.884 50 0 DCAARN CN1CCO[C@@H](C(=O)Nc2ccc([S@](C)=O)c(F)c2)C1 ZINC000095979417 415567256 /nfs/dbraw/zinc/56/72/56/415567256.db2.gz ATHNXGZAMGIPRW-BIBXISHDSA-N 0 0 300.355 0.832 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@](C)(O)c1ccco1 ZINC000096026004 415572370 /nfs/dbraw/zinc/57/23/70/415572370.db2.gz GFOIZINNDWAALQ-CYBMUJFWSA-N 0 0 313.379 0.816 50 0 DCAARN Nc1ccnc(N2CCN(C(=O)CC3=CCCC3)C[C@@H](O)C2)n1 ZINC000097156015 415587893 /nfs/dbraw/zinc/58/78/93/415587893.db2.gz ZXDKZHBRNPNFHN-CYBMUJFWSA-N 0 0 317.393 0.569 50 0 DCAARN COCCN(Cc1cnn(C)c1)C(=O)[C@@H](C)N1CCCC1=O ZINC000097436790 415589730 /nfs/dbraw/zinc/58/97/30/415589730.db2.gz KZGXPACYKKCAQB-GFCCVEGCSA-N 0 0 308.382 0.406 50 0 DCAARN CO[C@@H]1C[C@H](OC(C)=O)[C@H]([C@H](COC(C)=O)OC(C)=O)O1 ZINC000101136507 415593899 /nfs/dbraw/zinc/59/38/99/415593899.db2.gz UMNNUAUVUHIZGG-ZDEQEGDKSA-N 0 0 304.295 0.174 50 0 DCAARN Cc1noc(COC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)n1 ZINC000102717848 415599831 /nfs/dbraw/zinc/59/98/31/415599831.db2.gz WJGFKRYRHAQBJI-AOOOYVTPSA-N 0 0 305.290 0.372 50 0 DCAARN C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@@H](c2ccccc2)O1 ZINC000106864571 415652700 /nfs/dbraw/zinc/65/27/00/415652700.db2.gz LSMAAKRNNQUPOS-WXHSDQCUSA-N 0 0 317.345 0.573 50 0 DCAARN NC(=O)CN1CCN(Cc2ccc(F)c(F)c2)[C@H](CCO)C1 ZINC000106980288 415658026 /nfs/dbraw/zinc/65/80/26/415658026.db2.gz SBYUSQOQFDAZQD-GFCCVEGCSA-N 0 0 313.348 0.319 50 0 DCAARN CCOC(=O)c1c(N)n[nH]c1Nc1nc(OC)cc(OC)n1 ZINC000108803935 415678912 /nfs/dbraw/zinc/67/89/12/415678912.db2.gz BKBCPOYLCFBEFK-UHFFFAOYSA-N 0 0 308.298 0.719 50 0 DCAARN O=S1(=O)C[C@H](N(Cc2ccco2)Cc2ccccn2)[C@H](O)C1 ZINC000108373901 415680733 /nfs/dbraw/zinc/68/07/33/415680733.db2.gz NOADNOYAQSYCAU-LSDHHAIUSA-N 0 0 322.386 0.835 50 0 DCAARN C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCN1CC(F)(F)F ZINC000110697714 415686791 /nfs/dbraw/zinc/68/67/91/415686791.db2.gz LEKPLBJWDRZMGE-GHMZBOCLSA-N 0 0 309.332 0.412 50 0 DCAARN Cn1cc(Cl)cc1C(=O)NCCCn1c(=O)ccn(C)c1=O ZINC000344261231 415875951 /nfs/dbraw/zinc/87/59/51/415875951.db2.gz ALTGUPNNLMYAFB-UHFFFAOYSA-N 0 0 324.768 0.359 50 0 DCAARN CC(C)(C(=O)NCC1(CO)CCOCC1)N1CCOCC1 ZINC000338222011 416060547 /nfs/dbraw/zinc/06/05/47/416060547.db2.gz WDZGOSNNIXDOGP-UHFFFAOYSA-N 0 0 300.399 0.003 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)CNC(=O)N(C)C)nc2c1 ZINC000299756509 416064177 /nfs/dbraw/zinc/06/41/77/416064177.db2.gz DGUQRERKCIRIPW-UHFFFAOYSA-N 0 0 305.338 0.459 50 0 DCAARN CC[C@H](C)n1nccc1NC(=O)NCc1nc(C(=O)NC)no1 ZINC000299767209 416066455 /nfs/dbraw/zinc/06/64/55/416066455.db2.gz PGSNHVWMMFGFTB-QMMMGPOBSA-N 0 0 321.341 0.918 50 0 DCAARN CO[C@]12CCN(C(=O)c3cccn4cnnc34)[C@H]1C[C@@H](O)CC2 ZINC000299791764 416069190 /nfs/dbraw/zinc/06/91/90/416069190.db2.gz HVWDMESNOKPTEB-DETPVDSQSA-N 0 0 316.361 0.874 50 0 DCAARN NC(=O)c1cccnc1N1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299784969 416070122 /nfs/dbraw/zinc/07/01/22/416070122.db2.gz IXYZTDHPDALXIO-NWDGAFQWSA-N 0 0 300.322 0.122 50 0 DCAARN CCO[C@@H]1C[C@](O)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1(C)C ZINC000170609987 416027162 /nfs/dbraw/zinc/02/71/62/416027162.db2.gz WDZBEPJSBIBZCJ-BREBYQMCSA-N 0 0 307.412 0.102 50 0 DCAARN CN1CCO[C@@H](C(=O)Nc2ccc([S@](C)=O)c(F)c2)C1 ZINC000170591192 416027717 /nfs/dbraw/zinc/02/77/17/416027717.db2.gz ATHNXGZAMGIPRW-GIPWTMENSA-N 0 0 300.355 0.832 50 0 DCAARN Cc1cccn(CC(=O)NCC(=O)Nc2cccnc2)c1=O ZINC000181051540 416202965 /nfs/dbraw/zinc/20/29/65/416202965.db2.gz VHAOJODSCXBYOH-UHFFFAOYSA-N 0 0 300.318 0.307 50 0 DCAARN CCc1ccnc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c1 ZINC000181480763 416207972 /nfs/dbraw/zinc/20/79/72/416207972.db2.gz NBWNCELFWZEBGM-BDJLRTHQSA-N 0 0 316.361 0.752 50 0 DCAARN CC(C)CN1CCN(c2ncnc(-n3cccn3)c2N)CC1=O ZINC000195571681 416326835 /nfs/dbraw/zinc/32/68/35/416326835.db2.gz JZBHNDCKOFIWLB-UHFFFAOYSA-N 0 0 315.381 0.549 50 0 DCAARN O=C([O-])c1n[nH]cc1C[N@@H+]1CCCO[C@H](CN2CCOCC2)C1 ZINC000215341575 416327033 /nfs/dbraw/zinc/32/70/33/416327033.db2.gz LORNRGTXHLKTJH-CYBMUJFWSA-N 0 0 324.381 0.031 50 0 DCAARN Cc1c(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)cnn1C ZINC000215097514 416327181 /nfs/dbraw/zinc/32/71/81/416327181.db2.gz MWYYDJQQKZMYFU-OAHLLOKOSA-N 0 0 312.373 0.912 50 0 DCAARN C[C@@H](C(=O)N1CCCN(C[C@H]2CCCO2)CC1)S(C)(=O)=O ZINC000241515566 416330072 /nfs/dbraw/zinc/33/00/72/416330072.db2.gz OGHHCHPEBOADQG-QWHCGFSZSA-N 0 0 318.439 0.133 50 0 DCAARN c1nc(N2CCN(Cc3nc(-c4cccnc4)no3)CC2)n[nH]1 ZINC000244659720 416330614 /nfs/dbraw/zinc/33/06/14/416330614.db2.gz HHTQCHGRMGBVFC-UHFFFAOYSA-N 0 0 312.337 0.572 50 0 DCAARN Nc1ccnc(-c2cccc(C(=O)NCCOCCO)c2)n1 ZINC000534631149 416505901 /nfs/dbraw/zinc/50/59/01/416505901.db2.gz GOBCXCMSOZPHER-UHFFFAOYSA-N 0 0 302.334 0.465 50 0 DCAARN COc1cccnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC000584906766 416516844 /nfs/dbraw/zinc/51/68/44/416516844.db2.gz VRTYCUZLHRSMQK-UHFFFAOYSA-N 0 0 304.394 0.835 50 0 DCAARN CC1(C)C[C@H](S(=O)(=O)NCC[C@]2(O)CCCOC2)CO1 ZINC000585123415 416518235 /nfs/dbraw/zinc/51/82/35/416518235.db2.gz PSYYSOLLUAIHFO-WCQYABFASA-N 0 0 307.412 0.405 50 0 DCAARN CCCCS(=O)(=O)N1CC[C@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000585137922 416520119 /nfs/dbraw/zinc/52/01/19/416520119.db2.gz APSDAGQOQIHDSV-VIFPVBQESA-N 0 0 300.384 0.684 50 0 DCAARN Cc1ncc(CNS(=O)(=O)c2cnc(Cl)n2C)c(N)n1 ZINC000585134886 416520129 /nfs/dbraw/zinc/52/01/29/416520129.db2.gz OACCLNACZGAORM-UHFFFAOYSA-N 0 0 316.774 0.233 50 0 DCAARN Cc1c(C(=O)N[C@@H](C)c2nc(N)n[nH]2)sc2[nH]cnc(=O)c12 ZINC000426372513 416764749 /nfs/dbraw/zinc/76/47/49/416764749.db2.gz UBHGDNNWNPCMOK-YFKPBYRVSA-N 0 0 319.350 0.484 50 0 DCAARN OCCNc1nc([C@H]2CCOC2)cc(N2CCC(F)CC2)n1 ZINC000426683946 416777305 /nfs/dbraw/zinc/77/73/05/416777305.db2.gz RKNHVUVKMDDZBR-NSHDSACASA-N 0 0 310.373 1.323 50 0 DCAARN CCOc1ccc(S(=O)(=O)NC[C@]2(O)CCOC2)cc1F ZINC000575415694 417535242 /nfs/dbraw/zinc/53/52/42/417535242.db2.gz QMZSQJXKARKFNP-CYBMUJFWSA-N 0 0 319.354 0.654 50 0 DCAARN COc1ccc(C(=O)N2CC(CN3C(=O)COC3=O)C2)cc1F ZINC000575617582 417540990 /nfs/dbraw/zinc/54/09/90/417540990.db2.gz XMWHOOZSDWCUCE-UHFFFAOYSA-N 0 0 322.292 0.885 50 0 DCAARN Cc1nc[nH]c1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000635458850 417666262 /nfs/dbraw/zinc/66/62/62/417666262.db2.gz FXXNGQJOOYYPJC-UHFFFAOYSA-N 0 0 300.384 0.120 50 0 DCAARN C[C@@H]1CC[C@H](NC(=O)NCC2=CCOCC2)CS1(=O)=O ZINC000664988047 418165827 /nfs/dbraw/zinc/16/58/27/418165827.db2.gz MFCFJJRIWLWGBS-PWSUYJOCSA-N 0 0 302.396 0.598 50 0 DCAARN O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CCc2n[nH]cc2C1 ZINC000299333855 229056424 /nfs/dbraw/zinc/05/64/24/229056424.db2.gz ZOHIUZMJURDCSK-NSHDSACASA-N 0 0 314.345 0.936 50 0 DCAARN NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[C@@H](CO)C2)o1 ZINC000492529041 272133702 /nfs/dbraw/zinc/13/37/02/272133702.db2.gz BISFKAVQCCGRBN-VHSXEESVSA-N 0 0 316.379 0.456 50 0 DCAARN CCS(=O)(=O)N1CCC(CNC(=O)[C@H]2CCOC2)CC1 ZINC000541654437 287922728 /nfs/dbraw/zinc/92/27/28/287922728.db2.gz SYXMENPLTWTIDW-LBPRGKRZSA-N 0 0 304.412 0.201 50 0 DCAARN CC(=O)N1CC(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)C1 ZINC000225575762 276954716 /nfs/dbraw/zinc/95/47/16/276954716.db2.gz LAWFJSNXAZTXTR-LSDHHAIUSA-N 0 0 306.337 0.938 50 0 DCAARN CNS(=O)(=O)c1ccccc1N1CCN(CCOC)CC1 ZINC000069079872 277037982 /nfs/dbraw/zinc/03/79/82/277037982.db2.gz SYQPCNZRFYJMLQ-UHFFFAOYSA-N 0 0 313.423 0.363 50 0 DCAARN CC(=O)N[C@H](CC(=O)NCC(=O)NC1CC1)c1ccc(C)cc1 ZINC000039985569 278171092 /nfs/dbraw/zinc/17/10/92/278171092.db2.gz QMQZHGTWVQBZES-OAHLLOKOSA-N 0 0 317.389 0.957 50 0 DCAARN C[C@H]1OCCN[C@@H]1C(=O)NCCN1C(=O)Cc2ccccc21 ZINC000262039725 280057947 /nfs/dbraw/zinc/05/79/47/280057947.db2.gz YJJQBYHEGXAUDZ-ABAIWWIYSA-N 0 0 303.362 0.069 50 0 DCAARN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000253433612 280087909 /nfs/dbraw/zinc/08/79/09/280087909.db2.gz ZJAFSJUSMAJZAZ-STQMWFEESA-N 0 0 318.439 0.541 50 0 DCAARN CC(C)[C@H](NCc1cn(C(C)C)nn1)C(=O)N1CCOCC1 ZINC000328593447 280327191 /nfs/dbraw/zinc/32/71/91/280327191.db2.gz RBGGVMIXFCSEQM-AWEZNQCLSA-N 0 0 309.414 0.832 50 0 DCAARN CN(C)S(=O)(=O)c1cccc(-c2nnc3n2CCOC3)c1 ZINC000563432325 288674261 /nfs/dbraw/zinc/67/42/61/288674261.db2.gz MKLWAXRGQIZEAR-UHFFFAOYSA-N 0 0 308.363 0.726 50 0 DCAARN CN1CC[NH+](C[C@H](CC(=O)Nc2ccccc2)C(=O)[O-])CC1 ZINC000061721214 290046385 /nfs/dbraw/zinc/04/63/85/290046385.db2.gz FYYUIYRCDCNQAA-ZDUSSCGKSA-N 0 0 305.378 0.963 50 0 DCAARN CNC(=O)[C@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000065362990 290598529 /nfs/dbraw/zinc/59/85/29/290598529.db2.gz JOZDLZRRXLRUMK-VIFPVBQESA-N 0 0 316.379 0.604 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)NC(=O)N[C@@H]2c1cccc(O)c1 ZINC000038488437 294137069 /nfs/dbraw/zinc/13/70/69/294137069.db2.gz ZLVDNMBHQZROSW-SNVBAGLBSA-N 0 0 302.290 0.014 50 0 DCAARN Cn1cc(C(=O)NCCCNS(C)(=O)=O)c2ccccc21 ZINC000046355261 294219697 /nfs/dbraw/zinc/21/96/97/294219697.db2.gz FPBXXFBKILASPY-UHFFFAOYSA-N 0 0 309.391 0.847 50 0 DCAARN CSC1=N[C@H]2[C@@H](NN1)N(c1ccccc1)C(=O)[C@@H]2C(C)=O ZINC000006357005 295583640 /nfs/dbraw/zinc/58/36/40/295583640.db2.gz DQZQSFIODUGNKW-UTUOFQBUSA-N 0 0 304.375 0.760 50 0 DCAARN Cn1cc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3=O)cn1 ZINC000091643741 302918996 /nfs/dbraw/zinc/91/89/96/302918996.db2.gz WUONNROKHNEPNL-CYBMUJFWSA-N 0 0 312.395 0.053 50 0 DCAARN NC(=O)Cn1cc(C(=O)N2CCCC[C@H]2c2nccs2)nn1 ZINC000076042991 303262391 /nfs/dbraw/zinc/26/23/91/303262391.db2.gz VXLKIEHVZZPSLX-JTQLQIEISA-N 0 0 320.378 0.587 50 0 DCAARN NC(=O)NCC(=O)N1CC[C@@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091906518 303276377 /nfs/dbraw/zinc/27/63/77/303276377.db2.gz YZJPKKCWQUQBEW-MRXNPFEDSA-N 0 0 322.409 0.438 50 0 DCAARN O=S(=O)(NCc1noc([C@@H]2CCCO2)n1)c1cccnc1 ZINC000534578516 334288466 /nfs/dbraw/zinc/28/84/66/334288466.db2.gz MTWMBOBKJNLVFO-JTQLQIEISA-N 0 0 310.335 0.795 50 0 DCAARN CCCn1nccc1S(=O)(=O)NCC1(CO)CCOCC1 ZINC000534583405 334290060 /nfs/dbraw/zinc/29/00/60/334290060.db2.gz YUWAQJMXGNUDPX-UHFFFAOYSA-N 0 0 317.411 0.361 50 0 DCAARN Cc1ccncc1C(=O)N[C@H]1COC[C@@H]1N1CCN(C)CC1 ZINC000534587251 334292349 /nfs/dbraw/zinc/29/23/49/334292349.db2.gz UTJWDJCVBBZEBD-GJZGRUSLSA-N 0 0 304.394 0.135 50 0 DCAARN CC(C)[C@@H](NC(=O)N1CCN(CCCO)CC1)c1nccn1C ZINC000534633019 334308176 /nfs/dbraw/zinc/30/81/76/334308176.db2.gz BPQXLZJLVMSEHG-CQSZACIVSA-N 0 0 323.441 0.827 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N[C@H]1COC[C@@H]1N1CCCC1 ZINC000534656661 334314185 /nfs/dbraw/zinc/31/41/85/334314185.db2.gz SCTJYCOCJWSUDK-RYUDHWBXSA-N 0 0 315.395 0.433 50 0 DCAARN C[C@@H]1CNCCN1S(=O)(=O)CCOc1ccccc1F ZINC000534669296 334319613 /nfs/dbraw/zinc/31/96/13/334319613.db2.gz XOGYZRLDTKSLOI-LLVKDONJSA-N 0 0 302.371 0.828 50 0 DCAARN O=C([O-])CCCC(=O)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000534664255 334323127 /nfs/dbraw/zinc/32/31/27/334323127.db2.gz XGBDTXCOLJHWGB-AWEZNQCLSA-N 0 0 309.410 0.480 50 0 DCAARN O=S(=O)(N[C@H]1C[NH2+]CC[C@H]1O)c1ccc(F)c(Cl)c1 ZINC000534675357 334327013 /nfs/dbraw/zinc/32/70/13/334327013.db2.gz GTGGEQDHVMARMJ-WDEREUQCSA-N 0 0 308.762 0.480 50 0 DCAARN CNS(=O)(=O)CCCN1CCOC[C@H]1c1cccn1C ZINC000131635461 337383228 /nfs/dbraw/zinc/38/32/28/337383228.db2.gz ZESIZSHBMOBYQD-ZDUSSCGKSA-N 0 0 301.412 0.338 50 0 DCAARN C[C@@H](C(=O)Nc1nccs1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000229552691 337383681 /nfs/dbraw/zinc/38/36/81/337383681.db2.gz CSCATOOPYYNXFF-WDEREUQCSA-N 0 0 322.394 0.463 50 0 DCAARN CCOc1cc(N2CCC[C@@H]2CS(=O)(=O)NC)ncn1 ZINC000580651967 341892225 /nfs/dbraw/zinc/89/22/25/341892225.db2.gz ZHNCPHPXOKXXMR-SNVBAGLBSA-N 0 0 300.384 0.393 50 0 DCAARN CC(=O)N[C@@H](C(=O)N1CCN(c2ncccn2)CC1)C(C)C ZINC000022745412 534518945 /nfs/dbraw/zinc/51/89/45/534518945.db2.gz OGEIERQPIQOOIZ-CYBMUJFWSA-N 0 0 305.382 0.286 50 0 DCAARN CN(C(=O)[C@H]1COCCN1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000237035613 523910473 /nfs/dbraw/zinc/91/04/73/523910473.db2.gz LXDUBAUSOCNYRD-OCCSQVGLSA-N 0 0 321.352 0.378 50 0 DCAARN C/C=C/C=C/C(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000408522444 527574833 /nfs/dbraw/zinc/57/48/33/527574833.db2.gz JFLJTHPYJLQTAR-MQQKCMAXSA-N 0 0 303.366 0.860 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccncn1 ZINC000330833695 528808542 /nfs/dbraw/zinc/80/85/42/528808542.db2.gz VJGUTSDPKWOFBI-LBPRGKRZSA-N 0 0 312.395 0.297 50 0 DCAARN CCOC(=O)N1CCN(C(=O)[C@H]2CCc3cncn3C2)CC1 ZINC000328592614 528990606 /nfs/dbraw/zinc/99/06/06/528990606.db2.gz OZICWFJIQUGCNP-LBPRGKRZSA-N 0 0 306.366 0.746 50 0 DCAARN COCCNC(=O)N[C@@H]1CCCN(c2cc(N(C)C)ncn2)C1 ZINC000065269189 545659563 /nfs/dbraw/zinc/65/95/63/545659563.db2.gz HFWDTNQAYPZCRD-GFCCVEGCSA-N 0 0 322.413 0.457 50 0 DCAARN CC(C)c1n[nH]c([C@@H]2CN(C[C@H](O)Cn3cccn3)CCO2)n1 ZINC000084630889 545701718 /nfs/dbraw/zinc/70/17/18/545701718.db2.gz KVILTWLDAVGRQI-STQMWFEESA-N 0 0 320.397 0.559 50 0 DCAARN O=C(NCCNc1ncccn1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000084579414 545702695 /nfs/dbraw/zinc/70/26/95/545702695.db2.gz GICJFOVGVPMUKG-KBPBESRZSA-N 0 0 313.361 0.846 50 0 DCAARN CN1C(=O)C[C@@H](CNC(=O)C2=NNC(=O)CC2)c2ccccc21 ZINC000215755376 545938030 /nfs/dbraw/zinc/93/80/30/545938030.db2.gz BZMZGVSYSZZUQL-JTQLQIEISA-N 0 0 314.345 0.519 50 0 DCAARN CC(C)N(C)S(=O)(=O)N(C)CCCCN1CCOCC1 ZINC000670448395 547095245 /nfs/dbraw/zinc/09/52/45/547095245.db2.gz FFGYHHJRKWCPEP-UHFFFAOYSA-N 0 0 307.460 0.616 50 0 DCAARN CC(=O)N1CCN(c2nc(C)c3c(n2)CCCC3)C[C@H](O)C1 ZINC000670451571 547096559 /nfs/dbraw/zinc/09/65/59/547096559.db2.gz GXENFMBKSCUNQC-CYBMUJFWSA-N 0 0 304.394 0.693 50 0 DCAARN COCCn1cnnc1[C@@H](C)NC(=O)c1ccc(N(C)C)nc1 ZINC000670466080 547099111 /nfs/dbraw/zinc/09/91/11/547099111.db2.gz FDQBXMWGCFARQE-LLVKDONJSA-N 0 0 318.381 0.877 50 0 DCAARN CN(C)C(=O)CN1CC[C@@H]([N@@H+]2CCOC(C)(C)C2)CCC1=O ZINC000670473406 547101939 /nfs/dbraw/zinc/10/19/39/547101939.db2.gz HYAKDBDLQNNCDK-ZDUSSCGKSA-N 0 0 311.426 0.567 50 0 DCAARN O=C1NC(=O)C2(CCC(NS(=O)(=O)c3ccoc3)CC2)N1 ZINC000671702353 547284860 /nfs/dbraw/zinc/28/48/60/547284860.db2.gz SAPASFJJPYYLBD-UHFFFAOYSA-N 0 0 313.335 0.079 50 0 DCAARN Cc1cc(NC(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1C ZINC000328595896 563959831 /nfs/dbraw/zinc/95/98/31/563959831.db2.gz JIJUASJYPGRAQP-XHDPSFHLSA-N 0 0 306.366 1.505 50 0 DCAARN COC[C@@H](O)CNC(=O)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC000888099749 661177293 /nfs/dbraw/zinc/17/72/93/661177293.db2.gz VZAMNXUMGOCNTD-LBPRGKRZSA-N 0 0 306.322 0.707 50 0 DCAARN Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)nc1 ZINC000238876779 665494426 /nfs/dbraw/zinc/49/44/26/665494426.db2.gz OGDXOEPAKBFWMP-LLVKDONJSA-N 0 0 300.318 0.767 50 0 DCAARN CCc1nn(C)cc1CN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000179572857 665383413 /nfs/dbraw/zinc/38/34/13/665383413.db2.gz DUTBLIPRNLMEIB-HNNXBMFYSA-N 0 0 306.410 0.806 50 0 DCAARN COCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1 ZINC000011662939 666140895 /nfs/dbraw/zinc/14/08/95/666140895.db2.gz JNFYASKCPFLYNO-HNNXBMFYSA-N 0 0 319.405 0.530 50 0 DCAARN O=C(CNS(=O)(=O)c1cnn(CC(F)(F)F)c1)C1CC1 ZINC000185630222 666535555 /nfs/dbraw/zinc/53/55/55/666535555.db2.gz MLESIZYGGSFPRX-UHFFFAOYSA-N 0 0 311.285 0.703 50 0 DCAARN CC1(C)CCC(CNC(=O)N2CC(S(N)(=O)=O)C2)CC1 ZINC000864094256 667214490 /nfs/dbraw/zinc/21/44/90/667214490.db2.gz NCAGBCDHLXWHBS-UHFFFAOYSA-N 0 0 303.428 0.885 50 0 DCAARN CS(=O)(=O)N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000012592161 667459522 /nfs/dbraw/zinc/45/95/22/667459522.db2.gz NUGVPHHPIVRGAZ-SNVBAGLBSA-N 0 0 302.783 0.990 50 0 DCAARN O=C(NCCn1cccnc1=O)c1cc(-c2cccnc2)on1 ZINC000828228783 668139644 /nfs/dbraw/zinc/13/96/44/668139644.db2.gz QYLGNNGEDVVMGE-UHFFFAOYSA-N 0 0 311.301 0.723 50 0 DCAARN CC[C@@H](NC(=O)c1cn(C(C)(C)C)nn1)C(=O)N1CCOCC1 ZINC000189108534 670090452 /nfs/dbraw/zinc/09/04/52/670090452.db2.gz NRKODGZTPCUZEM-LLVKDONJSA-N 0 0 323.397 0.400 50 0 DCAARN COc1cc(NC(=O)c2cc(C)n(C)n2)cc(-n2cnnn2)c1 ZINC000952976389 685600595 /nfs/dbraw/zinc/60/05/95/685600595.db2.gz SBOFXHQPTARICD-UHFFFAOYSA-N 0 0 313.321 0.965 50 0 DCAARN Cc1ccc(C(=O)N2CCN3C(=O)[C@H](C)NC(=O)[C@H]3C2)cc1 ZINC000014746296 685048458 /nfs/dbraw/zinc/04/84/58/685048458.db2.gz LCGOOZLGYQVRPI-WCQYABFASA-N 0 0 301.346 0.166 50 0 DCAARN CNc1ccnc(N2CCC(n3cc(CCO)nn3)CC2)n1 ZINC000020538995 685051421 /nfs/dbraw/zinc/05/14/21/685051421.db2.gz KKOQSODYQIAWNT-UHFFFAOYSA-N 0 0 303.370 0.486 50 0 DCAARN CC(=O)NCCC(=O)Nc1ccccc1CN1CCOCC1 ZINC000055816112 685062349 /nfs/dbraw/zinc/06/23/49/685062349.db2.gz MNDNXVLCFOZWDX-UHFFFAOYSA-N 0 0 305.378 0.984 50 0 DCAARN Cc1cccn2c(CC(=O)N3CC[C@H](CO)[C@H](O)C3)cnc12 ZINC000072174191 685075577 /nfs/dbraw/zinc/07/55/77/685075577.db2.gz KMONXOXLZOTXFU-TZMCWYRMSA-N 0 0 303.362 0.387 50 0 DCAARN NC(=O)[C@H]1COCCN1C(=O)COc1ccc2c(c1)CCC2 ZINC000091779309 685106596 /nfs/dbraw/zinc/10/65/96/685106596.db2.gz HMHHBQWQPCZXDT-CQSZACIVSA-N 0 0 304.346 0.267 50 0 DCAARN Cc1cc(C(=O)N2C[C@@H]3CCCN3C(=O)[C@@H]2C)c(=O)n(C)c1C ZINC001772702260 1157841492 /nfs/dbraw/zinc/84/14/92/1157841492.db2.gz CHVNXHVIXRJOHR-STQMWFEESA-N 0 0 317.389 0.837 50 0 DCAARN O=C(CN1CC(=O)N[C@@H](Cc2ccccc2)C1)N1CCCC1 ZINC001772704742 1157842706 /nfs/dbraw/zinc/84/27/06/1157842706.db2.gz SOKCYEMYMMFCOG-HNNXBMFYSA-N 0 0 301.390 0.652 50 0 DCAARN COc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](O)C[C@@H]3C2)cc1OC ZINC001772711898 1157847185 /nfs/dbraw/zinc/84/71/85/1157847185.db2.gz YFZNOZHVBAHMKR-ADEWGFFLSA-N 0 0 313.375 0.705 50 0 DCAARN CN(CC(=O)N1C[C@@H]2[C@H](C1)C2(CO)CO)Cc1ccccc1 ZINC001772711945 1157847996 /nfs/dbraw/zinc/84/79/96/1157847996.db2.gz MEWTVGKQLQYZKY-GASCZTMLSA-N 0 0 304.390 0.178 50 0 DCAARN COC(=O)N[C@@H](C)C(=O)N1CCCN(C(=O)c2ccoc2)CC1 ZINC001772711570 1157849240 /nfs/dbraw/zinc/84/92/40/1157849240.db2.gz ZLPALGBYGJUJCE-NSHDSACASA-N 0 0 323.349 0.699 50 0 DCAARN Cc1c(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)cnn1C ZINC001704280618 1179958461 /nfs/dbraw/zinc/95/84/61/1179958461.db2.gz XPCKSLZHYKBUHF-BXUZGUMPSA-N 0 0 301.350 0.194 50 0 DCAARN Cc1cc(CC(=O)N2CCCN(C(=O)[C@H]3CCOC3)CC2)on1 ZINC001704299128 1179964753 /nfs/dbraw/zinc/96/47/53/1179964753.db2.gz MVFYFCRQWLDNGO-ZDUSSCGKSA-N 0 0 321.377 0.623 50 0 DCAARN Cc1cc(C[C@@H]2CN(c3nc(N)nc4nc[nH]c43)C[C@@H]2O)n[nH]1 ZINC001704302813 1179966261 /nfs/dbraw/zinc/96/62/61/1179966261.db2.gz BOFIBVYQCLWBHU-SCZZXKLOSA-N 0 0 314.353 0.006 50 0 DCAARN Nc1nc(C(=O)N2C[C@@H](Cc3ccccn3)[C@H](O)C2)cs1 ZINC001704302808 1179966880 /nfs/dbraw/zinc/96/68/80/1179966880.db2.gz CZBYJCKBUUPSTC-BXKDBHETSA-N 0 0 304.375 0.796 50 0 DCAARN CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)CCOc1ccccc1)C2 ZINC001704305104 1179967674 /nfs/dbraw/zinc/96/76/74/1179967674.db2.gz UIXYTXILIRGXNU-KGLIPLIRSA-N 0 0 318.373 0.771 50 0 DCAARN COc1cc(F)c(CN2C[C@@H]3COC[C@H](C2)NC3=O)cc1OC ZINC001704315819 1179970557 /nfs/dbraw/zinc/97/05/57/1179970557.db2.gz FFGSLDMRDDCDIG-NEPJUHHUSA-N 0 0 324.352 0.790 50 0 DCAARN CO[C@@H]1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)CC[C@@H]1O ZINC001704325052 1179973308 /nfs/dbraw/zinc/97/33/08/1179973308.db2.gz GUVXRLPYJBIXQF-QLFBSQMISA-N 0 0 319.405 0.906 50 0 DCAARN CCn1nc(C)c(NC(=O)CN2CCS(=O)(=O)CC2)c1C ZINC000266183628 1185195342 /nfs/dbraw/zinc/19/53/42/1185195342.db2.gz STESTNDBAGPBEJ-UHFFFAOYSA-N 0 0 314.411 0.189 50 0 DCAARN COCC(=O)N1CCC2(CC1)C[C@H](CC(=O)N(C)C)CCO2 ZINC000581785956 747687071 /nfs/dbraw/zinc/68/70/71/747687071.db2.gz OAHQDNUTFKGOIR-ZDUSSCGKSA-N 0 0 312.410 0.899 50 0 DCAARN Cc1cc(C(=O)N2Cc3c(C(=O)NC4CC4)nn(C)c3C2)no1 ZINC000675008895 748024989 /nfs/dbraw/zinc/02/49/89/748024989.db2.gz OHHHJHFCVIWUMA-UHFFFAOYSA-N 0 0 315.333 0.765 50 0 DCAARN C[C@H](O)CNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000675028887 748029096 /nfs/dbraw/zinc/02/90/96/748029096.db2.gz ARLONYUHEDKROI-LURJTMIESA-N 0 0 320.754 0.330 50 0 DCAARN CCCc1noc(CN(C)C(=O)N[C@H]2CCS(=O)(=O)C2)n1 ZINC000823020273 758217795 /nfs/dbraw/zinc/21/77/95/758217795.db2.gz HRNHFEMNOPQAAN-VIFPVBQESA-N 0 0 316.383 0.351 50 0 DCAARN CCCn1cc(S(=O)(=O)N(C)C[C@@H]2CC(=O)N(C)C2)cn1 ZINC000823033126 758218130 /nfs/dbraw/zinc/21/81/30/758218130.db2.gz LWTISBNRRMQCPI-LLVKDONJSA-N 0 0 314.411 0.392 50 0 DCAARN CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2cnn(CC)c2)C1 ZINC000823123337 758226773 /nfs/dbraw/zinc/22/67/73/758226773.db2.gz FVOKEGCBHRROAY-SNVBAGLBSA-N 0 0 300.384 0.050 50 0 DCAARN CCc1nc(S(=O)(=O)N[C@@H]2CC(=O)N(C(C)C)C2)c[nH]1 ZINC000823484497 758249840 /nfs/dbraw/zinc/24/98/40/758249840.db2.gz LZWZOFXYNORGMN-SECBINFHSA-N 0 0 300.384 0.260 50 0 DCAARN COCCn1cnnc1CNC(=O)c1nn(C)c(C)c1Cl ZINC000824464014 758775352 /nfs/dbraw/zinc/77/53/52/758775352.db2.gz PHBPCTKDTPGECI-UHFFFAOYSA-N 0 0 312.761 0.550 50 0 DCAARN COCCn1ccnc1CN1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000824466102 758775404 /nfs/dbraw/zinc/77/54/04/758775404.db2.gz HKZRKIFUBBACPV-CYBMUJFWSA-N 0 0 315.439 0.786 50 0 DCAARN Nc1nc(CNC(=O)c2nc(N)nc3c2CCCC3)cs1 ZINC000827587407 758868913 /nfs/dbraw/zinc/86/89/13/758868913.db2.gz ZLOSIJULKTZUMN-UHFFFAOYSA-N 0 0 304.379 0.906 50 0 DCAARN O=C1NC2(CCOCC2)C(=O)N[C@H]1Cc1c[nH]c2ccccc12 ZINC000828301593 758976472 /nfs/dbraw/zinc/97/64/72/758976472.db2.gz YEEMRYGPEDQYHG-AWEZNQCLSA-N 0 0 313.357 0.874 50 0 DCAARN CC(C)[C@@H](O)C(=O)N1CCC(CNC(=O)c2ccon2)CC1 ZINC000828574578 759039149 /nfs/dbraw/zinc/03/91/49/759039149.db2.gz AILGNRDCJILYKR-CYBMUJFWSA-N 0 0 309.366 0.660 50 0 DCAARN CCCS(=O)(=O)N1CCC2(CC[C@@H]2NC(=O)COC)CC1 ZINC000581803337 760253523 /nfs/dbraw/zinc/25/35/23/760253523.db2.gz JUEAYFMFPQRRHZ-LBPRGKRZSA-N 0 0 318.439 0.733 50 0 DCAARN CC(C)CC(=O)N1CC(n2cc(C(=O)NCC3CC3)nn2)C1 ZINC000581810801 760254889 /nfs/dbraw/zinc/25/48/89/760254889.db2.gz YRKANEBEDJYVQA-UHFFFAOYSA-N 0 0 305.382 0.847 50 0 DCAARN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(n2nccn2)C1 ZINC000888107202 765411828 /nfs/dbraw/zinc/41/18/28/765411828.db2.gz XZPFODQPEHTQRC-JTQLQIEISA-N 0 0 316.317 0.858 50 0 DCAARN CN(C(=O)Cc1ccc(N2CCOC2=O)cc1)[C@@H]1COC[C@H]1O ZINC000585082498 766268586 /nfs/dbraw/zinc/26/85/86/766268586.db2.gz ZHURMCALGLDJQB-ZIAGYGMSSA-N 0 0 320.345 0.404 50 0 DCAARN OC[C@H]1C=C[C@@H](Nc2ccc3nnc(Br)n3n2)C1 ZINC000585093036 766278254 /nfs/dbraw/zinc/27/82/54/766278254.db2.gz ZIMOADWDEKLUAT-JGVFFNPUSA-N 0 0 310.155 1.236 50 0 DCAARN COCC(=O)N[C@H](C(C)C)[C@@H](NC(=O)COC)C(F)(F)F ZINC000585127646 766289838 /nfs/dbraw/zinc/28/98/38/766289838.db2.gz GIVBXMGUQOSORL-GHMZBOCLSA-N 0 0 314.304 0.467 50 0 DCAARN COc1ncccc1NC(=O)N[C@H]1COCCC1(OC)OC ZINC000952847930 768910858 /nfs/dbraw/zinc/91/08/58/768910858.db2.gz YAMLKOBLQPOOCH-NSHDSACASA-N 0 0 311.338 0.990 50 0 DCAARN O=C1CCc2cn(nn2)CCNC(=O)[C@H](Cc2ccccc2)N1 ZINC000952862494 768922255 /nfs/dbraw/zinc/92/22/55/768922255.db2.gz ADAIAAOLLBLGDA-AWEZNQCLSA-N 0 0 313.361 0.068 50 0 DCAARN CN1C[C@@H](NC(=O)CCC(=O)Nc2cccc(F)c2)CC1=O ZINC000952869864 768926286 /nfs/dbraw/zinc/92/62/86/768926286.db2.gz NPWLJRBADPRFHG-LBPRGKRZSA-N 0 0 307.325 0.891 50 0 DCAARN Cc1c(C(=O)N(CCO)Cc2nccn2C)cnc2ccnn21 ZINC000952874286 768937144 /nfs/dbraw/zinc/93/71/44/768937144.db2.gz ZMZUPLGETPUEGW-UHFFFAOYSA-N 0 0 314.349 0.406 50 0 DCAARN CC(C)N1C(=O)CO[C@H](C(=O)N2CC(O)C2)[C@H]1c1ccccc1 ZINC001529113729 1014499372 /nfs/dbraw/zinc/49/93/72/1014499372.db2.gz IHZQIWREWCEWCW-CVEARBPZSA-N 0 0 318.373 0.567 50 0 DCAARN Cn1nc2c(c1NC(=O)CCNS(C)(=O)=O)CSC2 ZINC001529167328 1014510519 /nfs/dbraw/zinc/51/05/19/1014510519.db2.gz GSZIFVUJWQSNMA-UHFFFAOYSA-N 0 0 304.397 0.045 50 0 DCAARN O=C(c1ccoc1)N1CCCN(C(=O)c2c[nH]c(=O)[nH]2)CC1 ZINC001529197277 1014519778 /nfs/dbraw/zinc/51/97/78/1014519778.db2.gz NHTJLJQHSWYZMA-UHFFFAOYSA-N 0 0 304.306 0.697 50 0 DCAARN Cc1cc(C(=O)[O-])nc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC001506419501 1017265832 /nfs/dbraw/zinc/26/58/32/1017265832.db2.gz DCFGKELFWSQFHG-NSHDSACASA-N 0 0 321.381 0.483 50 0 DCAARN COC[C@@H]1CCCN(S(=O)(=O)NCCc2c[nH]cn2)C1 ZINC001506420016 1017266669 /nfs/dbraw/zinc/26/66/69/1017266669.db2.gz QLSXMBJWZNAGKX-LLVKDONJSA-N 0 0 302.400 0.145 50 0 DCAARN O=C(Nc1ccc(-n2cnnn2)cc1)N1CCOC[C@H](CO)C1 ZINC000095496511 185374038 /nfs/dbraw/zinc/37/40/38/185374038.db2.gz FEYFXYPJZZSTNL-NSHDSACASA-N 0 0 318.337 0.135 50 0 DCAARN O=C(NCCN1CCNC1=O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000095498119 185374415 /nfs/dbraw/zinc/37/44/15/185374415.db2.gz YSGIUQJCQSQQAI-ZDUSSCGKSA-N 0 0 316.361 0.181 50 0 DCAARN O=C(NCC[C@H](O)C1CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000077108361 185109194 /nfs/dbraw/zinc/10/91/94/185109194.db2.gz VYVFIYXKUAWNHS-NSHDSACASA-N 0 0 306.318 0.631 50 0 DCAARN CC(C)(Oc1cccc(Cl)c1)C(=O)NCCS(N)(=O)=O ZINC000079036705 185148104 /nfs/dbraw/zinc/14/81/04/185148104.db2.gz HVDYKBYPTOQELJ-UHFFFAOYSA-N 0 0 320.798 0.902 50 0 DCAARN CN(C)S(=O)(=O)N1CCC2(CC1)c1ccccc1N(C)C2=O ZINC000072140545 282158670 /nfs/dbraw/zinc/15/86/70/282158670.db2.gz OFYQIPKOADIFGO-UHFFFAOYSA-N 0 0 323.418 0.803 50 0 DCAARN CC[C@@H](C)n1nc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1C ZINC000330716836 529439001 /nfs/dbraw/zinc/43/90/01/529439001.db2.gz CYHGUGKOLWHIKV-SECBINFHSA-N 0 0 319.365 0.812 50 0 DCAARN Cn1ccnc1-c1ccc(N2CC[C@@]3(CC(=O)NC3=O)C2)nn1 ZINC000082096944 192354740 /nfs/dbraw/zinc/35/47/40/192354740.db2.gz WOAYZBBJVIEBRG-OAHLLOKOSA-N 0 0 312.333 0.120 50 0 DCAARN CCC[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1NC(C)=O ZINC000082114384 192357838 /nfs/dbraw/zinc/35/78/38/192357838.db2.gz FSULSYMDTOGVHD-DGCLKSJQSA-N 0 0 316.365 0.501 50 0 DCAARN CN(C)Cc1nnc(C2CCN(c3nccc(N)n3)CC2)n1C ZINC000082126702 192358778 /nfs/dbraw/zinc/35/87/78/192358778.db2.gz LMZPFOJFCCZRKJ-UHFFFAOYSA-N 0 0 316.413 0.633 50 0 DCAARN COCc1noc(CCNC(=O)[C@H]2CCCN(C(C)=O)C2)n1 ZINC000095391238 185351411 /nfs/dbraw/zinc/35/14/11/185351411.db2.gz JXDIDOTZCVZFHJ-NSHDSACASA-N 0 0 310.354 0.133 50 0 DCAARN CCc1ccccc1OC1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000095390845 185351534 /nfs/dbraw/zinc/35/15/34/185351534.db2.gz VLWAREHHVBPWMV-CYBMUJFWSA-N 0 0 303.362 0.862 50 0 DCAARN Cc1cc(CS(=O)(=O)NC[C@H](C)N2CCOCC2)no1 ZINC000095394574 185352482 /nfs/dbraw/zinc/35/24/82/185352482.db2.gz UHJDYHVARBOAIM-JTQLQIEISA-N 0 0 303.384 0.123 50 0 DCAARN Cc1cncc(C(=O)NC2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000095403481 185354883 /nfs/dbraw/zinc/35/48/83/185354883.db2.gz OZBGQHQVQNBDHK-UHFFFAOYSA-N 0 0 316.405 0.863 50 0 DCAARN O=C(NCc1ccco1)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000095405185 185355597 /nfs/dbraw/zinc/35/55/97/185355597.db2.gz USZLQXWLHUZDKG-XPTSAGLGSA-N 0 0 306.322 0.457 50 0 DCAARN NC(=O)N1CCCN(CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000095430651 185363094 /nfs/dbraw/zinc/36/30/94/185363094.db2.gz MRUZTPOMLREXNI-UHFFFAOYSA-N 0 0 312.320 0.990 50 0 DCAARN Cn1cc(S(=O)(=O)N[C@@H](CCO)c2cccs2)cn1 ZINC000095433169 185363712 /nfs/dbraw/zinc/36/37/12/185363712.db2.gz RRNFQYSHPHEDII-JTQLQIEISA-N 0 0 301.393 0.884 50 0 DCAARN C[C@@H](c1ccccc1)[C@H](CO)NS(=O)(=O)c1cnn(C)c1 ZINC000095433096 185363869 /nfs/dbraw/zinc/36/38/69/185363869.db2.gz FBCHZEAAHZEUES-FZMZJTMJSA-N 0 0 309.391 0.863 50 0 DCAARN O=C(Nc1cccc(F)c1)N(CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000095443113 185367014 /nfs/dbraw/zinc/36/70/14/185367014.db2.gz YHJGVHDKRKVGCL-GFCCVEGCSA-N 0 0 316.354 0.839 50 0 DCAARN O=C(Nc1cccnc1N1CCCC1)N1C[C@@H](O)C[C@H]1CO ZINC000095445357 185367261 /nfs/dbraw/zinc/36/72/61/185367261.db2.gz GNQOIFNJFKRQKC-RYUDHWBXSA-N 0 0 306.366 0.641 50 0 DCAARN COC(=O)[C@H](O)CNS(=O)(=O)c1ccc2ccccc2c1 ZINC000095452533 185369160 /nfs/dbraw/zinc/36/91/60/185369160.db2.gz QTHWHPMPBBUJJP-CYBMUJFWSA-N 0 0 309.343 0.652 50 0 DCAARN CN(C)c1cccc(C(=O)N2CCN(c3nc[nH]n3)CC2)c1 ZINC000299801078 529786658 /nfs/dbraw/zinc/78/66/58/529786658.db2.gz XQCUABNHLIXJFF-UHFFFAOYSA-N 0 0 300.366 0.833 50 0 DCAARN COC(=O)[C@H](NC(=O)c1cnc2scc(C)n2c1=O)C(C)C ZINC000095472369 185372679 /nfs/dbraw/zinc/37/26/79/185372679.db2.gz NPFSDVSJVJWFDM-SNVBAGLBSA-N 0 0 323.374 0.992 50 0 DCAARN CS(=O)(=O)C[C@H](NCC(=O)N1CCCC1)c1ccccc1 ZINC000097033672 185399938 /nfs/dbraw/zinc/39/99/38/185399938.db2.gz FHGGVCBOXLUXGR-AWEZNQCLSA-N 0 0 310.419 0.984 50 0 DCAARN CN(CC1CCCC1)C(=O)NCCOCCS(N)(=O)=O ZINC000408523807 529863681 /nfs/dbraw/zinc/86/36/81/529863681.db2.gz NQDVVAMVPUZWCV-UHFFFAOYSA-N 0 0 307.416 0.123 50 0 DCAARN Cc1nn2c(nc(CN(CC(N)=O)C3CCCC3)cc2=O)s1 ZINC000052826706 282308646 /nfs/dbraw/zinc/30/86/46/282308646.db2.gz NICUGFLYURZYBQ-UHFFFAOYSA-N 0 0 321.406 0.689 50 0 DCAARN O=C(Cn1cc(COc2ccccc2F)nn1)N1CCOCC1 ZINC000227162731 201794964 /nfs/dbraw/zinc/79/49/64/201794964.db2.gz LTVLQNNJWANEAT-UHFFFAOYSA-N 0 0 320.324 0.855 50 0 DCAARN Cc1ccc(C(=O)C(=O)NCCC2N=NC(=S)N2C)cc1 ZINC000170622206 197794064 /nfs/dbraw/zinc/79/40/64/197794064.db2.gz DEHNOTINNGOCRY-UHFFFAOYSA-N 0 0 304.375 0.954 50 0 DCAARN CNS(=O)(=O)CC(=O)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000083599325 192375156 /nfs/dbraw/zinc/37/51/56/192375156.db2.gz QERFKCPAEGYJPL-VIFPVBQESA-N 0 0 304.799 0.936 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)c3cnc(C)cn3)CCO2)[nH]1 ZINC000083830048 192385010 /nfs/dbraw/zinc/38/50/10/192385010.db2.gz GPNBOKRCNNJMKI-LLVKDONJSA-N 0 0 302.338 0.679 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)COCC(F)(F)F)CCO2)[nH]1 ZINC000083829905 192385633 /nfs/dbraw/zinc/38/56/33/192385633.db2.gz QXLGRMSQSPGFQW-MRVPVSSYSA-N 0 0 322.287 0.846 50 0 DCAARN CCNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000071754897 191024794 /nfs/dbraw/zinc/02/47/94/191024794.db2.gz NXMCKALXXZKJFK-SNVBAGLBSA-N 0 0 300.380 0.986 50 0 DCAARN Cc1nonc1OCCNS(=O)(=O)NCc1ccccc1 ZINC000071754113 191025382 /nfs/dbraw/zinc/02/53/82/191025382.db2.gz CLNUGSVKCGHZAC-UHFFFAOYSA-N 0 0 312.351 0.381 50 0 DCAARN COC[C@H](C)NC(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000072083769 191034647 /nfs/dbraw/zinc/03/46/47/191034647.db2.gz WDIJJWHOLVRQQA-LBPRGKRZSA-N 0 0 305.378 0.905 50 0 DCAARN CC(=O)CCn1c(=O)n(-c2ccccc2)c(=O)n1CCC(C)=O ZINC000071770749 191030478 /nfs/dbraw/zinc/03/04/78/191030478.db2.gz VDIDKOAJQRANDY-UHFFFAOYSA-N 0 0 317.345 0.759 50 0 DCAARN CCc1nc(C)sc1C(=O)N1CCNC[C@@H]1C(=O)NC1CC1 ZINC000072147466 191052237 /nfs/dbraw/zinc/05/22/37/191052237.db2.gz RWVRNQJEXBLBBX-GFCCVEGCSA-N 0 0 322.434 0.707 50 0 DCAARN COc1nc2c(cc1C(=O)N1CCC[C@@](O)(CO)C1)CCC2 ZINC000072150673 191056142 /nfs/dbraw/zinc/05/61/42/191056142.db2.gz NBJKGZULQMKDOM-INIZCTEOSA-N 0 0 306.362 0.538 50 0 DCAARN CN1C(=O)[C@H](CC(=O)N2CC(c3ccccn3)C2)N(C)C1=O ZINC000072156113 191058574 /nfs/dbraw/zinc/05/85/74/191058574.db2.gz VHWAGBMPGXHPSY-LBPRGKRZSA-N 0 0 302.334 0.290 50 0 DCAARN CN(C)C(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1 ZINC000072163726 191063480 /nfs/dbraw/zinc/06/34/80/191063480.db2.gz IICBFIOJWHIAKO-OAHLLOKOSA-N 0 0 303.406 0.898 50 0 DCAARN COc1cccc(C(=O)N2CCc3c(nc[nH]c3=O)C2)c1OC ZINC000072174150 191068936 /nfs/dbraw/zinc/06/89/36/191068936.db2.gz IIKXSSVXNCLURM-UHFFFAOYSA-N 0 0 315.329 0.986 50 0 DCAARN CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)CCO ZINC000072274388 191096838 /nfs/dbraw/zinc/09/68/38/191096838.db2.gz WIZUTPFYQANNKA-UHFFFAOYSA-N 0 0 311.363 0.740 50 0 DCAARN NC(=S)c1nc(-c2ccc(C(N)=S)cc2)[nH]c1C(N)=S ZINC000072284261 191104310 /nfs/dbraw/zinc/10/43/10/191104310.db2.gz WKXHMLFXENTOTG-UHFFFAOYSA-N 0 0 321.456 0.979 50 0 DCAARN CC(C)(C(=O)N[C@H]1Cc2ccccc2[C@@H]1O)N1CCOCC1 ZINC000253392891 186303820 /nfs/dbraw/zinc/30/38/20/186303820.db2.gz FFWVRBULUXKYDE-GJZGRUSLSA-N 0 0 304.390 0.872 50 0 DCAARN CC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@@H]2C(N)=O)c1 ZINC000072319287 191121115 /nfs/dbraw/zinc/12/11/15/191121115.db2.gz HLMHICIBRRDPTF-DZGCQCFKSA-N 0 0 306.362 0.579 50 0 DCAARN O=C(Nc1nccs1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000007667061 304017698 /nfs/dbraw/zinc/01/76/98/304017698.db2.gz AJAQQCVUEZVBIK-UHFFFAOYSA-N 0 0 310.360 0.579 50 0 DCAARN CCOC(=O)c1cnc2nc(COC)nn2c1/C=C/N(C)C ZINC000072406615 191152921 /nfs/dbraw/zinc/15/29/21/191152921.db2.gz VNHJWQCWQZZGEN-VOTSOKGWSA-N 0 0 305.338 0.980 50 0 DCAARN CN(C)c1nc(N)nc(CN(C)S(=O)(=O)c2ccccc2)n1 ZINC000000039247 180675331 /nfs/dbraw/zinc/67/53/31/180675331.db2.gz SKEONQCTYITNQF-UHFFFAOYSA-N 0 0 322.394 0.341 50 0 DCAARN Cc1csc2nc(CNC(=O)[C@@H]3NCCc4[nH]cnc43)cn12 ZINC000072426348 191159536 /nfs/dbraw/zinc/15/95/36/191159536.db2.gz GBHXRLOVEJTPHH-GFCCVEGCSA-N 0 0 316.390 0.931 50 0 DCAARN Cc1ncsc1CCN(C)C(=O)CSc1nnnn1C ZINC000072424840 191160624 /nfs/dbraw/zinc/16/06/24/191160624.db2.gz JJPYYZWTVGRQHY-UHFFFAOYSA-N 0 0 312.424 0.768 50 0 DCAARN Cc1noc(C)c1CCCNC(=O)[C@@H]1NCCc2nc[nH]c21 ZINC000072427812 191161690 /nfs/dbraw/zinc/16/16/90/191161690.db2.gz YDRAZMGGNCIZKM-CQSZACIVSA-N 0 0 303.366 0.950 50 0 DCAARN CN(C(=O)C1CCN(S(C)(=O)=O)CC1)[C@H]1CCCC[C@H]1O ZINC000072446851 191169197 /nfs/dbraw/zinc/16/91/97/191169197.db2.gz CNCQXJBFYDSQGM-QWHCGFSZSA-N 0 0 318.439 0.420 50 0 DCAARN CC[C@@]1(O)CCN(C(=O)c2cn3cc(Cl)cnc3n2)C[C@H]1O ZINC000072463477 191173634 /nfs/dbraw/zinc/17/36/34/191173634.db2.gz IWCLLFCKAGISAH-BXUZGUMPSA-N 0 0 324.768 0.731 50 0 DCAARN O=C([C@@H]1NCCc2nc[nH]c21)N1CCN(c2ccccn2)CC1 ZINC000072475863 191177890 /nfs/dbraw/zinc/17/78/90/191177890.db2.gz UQZMHSBTPFEABO-OAHLLOKOSA-N 0 0 312.377 0.340 50 0 DCAARN C=Cn1cc(C(=O)N2CC[C@@H](CNC(=O)C(C)C)[C@H](O)C2)cn1 ZINC000072480849 191180630 /nfs/dbraw/zinc/18/06/30/191180630.db2.gz NORRRORWOZMFJW-GXTWGEPZSA-N 0 0 320.393 0.579 50 0 DCAARN CC(=O)Nc1ccc(NC(=O)CSc2nnnn2C)cc1 ZINC000000375331 180770589 /nfs/dbraw/zinc/77/05/89/180770589.db2.gz KUXIMHHADNGYAN-UHFFFAOYSA-N 0 0 306.351 0.899 50 0 DCAARN Cc1nsc(N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)n1 ZINC000173267104 198203254 /nfs/dbraw/zinc/20/32/54/198203254.db2.gz FHIFAZQJKPXKTG-UHFFFAOYSA-N 0 0 319.390 0.508 50 0 DCAARN CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1 ZINC000000804432 180833200 /nfs/dbraw/zinc/83/32/00/180833200.db2.gz YYZVEBJYTHVQFA-ZDUSSCGKSA-N 0 0 312.391 0.984 50 0 DCAARN Cc1nn(C)cc1C(=O)N1CCN(C2=NC[C@H](C)S2)CC1 ZINC000073117962 191280493 /nfs/dbraw/zinc/28/04/93/191280493.db2.gz AZPOWPRKGMJGHF-JTQLQIEISA-N 0 0 307.423 0.978 50 0 DCAARN COC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000003648055 181043553 /nfs/dbraw/zinc/04/35/53/181043553.db2.gz CUCAZZQPISJXOS-WDEREUQCSA-N 0 0 308.334 0.979 50 0 DCAARN CC[C@H](C)NC(=O)c1ccc2c(c1)[nH]c(=O)n(CCOC)c2=O ZINC000003906604 181055682 /nfs/dbraw/zinc/05/56/82/181055682.db2.gz GYYDKHQZBGCWNH-JTQLQIEISA-N 0 0 319.361 0.865 50 0 DCAARN CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(CCCOC)C(=O)[C@H]13)O2 ZINC000004124761 181076838 /nfs/dbraw/zinc/07/68/38/181076838.db2.gz WOASBWCMPINWIO-LMOYCYGVSA-N 0 0 309.362 0.758 50 0 DCAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC(N)=O)C1=O ZINC000004308488 181095810 /nfs/dbraw/zinc/09/58/10/181095810.db2.gz OJYCBWVKHXMLIQ-AWEZNQCLSA-N 0 0 322.296 0.178 50 0 DCAARN COC(=O)CCN1C(=O)CS[C@@]12C(=O)Nc1ccccc12 ZINC000032594711 291023770 /nfs/dbraw/zinc/02/37/70/291023770.db2.gz GHNVAUCENZCURG-AWEZNQCLSA-N 0 0 306.343 0.930 50 0 DCAARN CCN1CCN(CC(=O)NCc2ccccc2Cl)C(=O)C1=O ZINC000004326392 181098663 /nfs/dbraw/zinc/09/86/63/181098663.db2.gz SGOXDNSBUUAADM-UHFFFAOYSA-N 0 0 323.780 0.647 50 0 DCAARN COc1cccc(NC(=O)CSc2nncc(=O)n2N)c1 ZINC000004338114 181099776 /nfs/dbraw/zinc/09/97/76/181099776.db2.gz KQWIIJZQKOUJKS-UHFFFAOYSA-N 0 0 307.335 0.092 50 0 DCAARN COc1ccc(NC(=O)CSc2nncc(=O)n2N)cc1 ZINC000004338115 181099810 /nfs/dbraw/zinc/09/98/10/181099810.db2.gz OYAGHUKALZJXMK-UHFFFAOYSA-N 0 0 307.335 0.092 50 0 DCAARN O=C(NCCO)[C@@H](C(=O)c1ccccc1)n1ccccc1=O ZINC000004435597 181110046 /nfs/dbraw/zinc/11/00/46/181110046.db2.gz CXWZWHVDSXRFGG-CQSZACIVSA-N 0 0 300.314 0.381 50 0 DCAARN CCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000004511231 181117637 /nfs/dbraw/zinc/11/76/37/181117637.db2.gz VENZVCQYQDWOSU-UHFFFAOYSA-N 0 0 312.391 0.556 50 0 DCAARN COC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000004749834 181147700 /nfs/dbraw/zinc/14/77/00/181147700.db2.gz SZMNYQPJLBWBDF-UHFFFAOYSA-N 0 0 300.336 0.886 50 0 DCAARN CCOC(=O)CNC(=O)CSc1nnc(-c2ccncc2)o1 ZINC000004941531 181176404 /nfs/dbraw/zinc/17/64/04/181176404.db2.gz GSNIRAHKYAEBMA-UHFFFAOYSA-N 0 0 322.346 0.903 50 0 DCAARN COC(=O)[C@H](C)Sc1ccnc2c1c(=O)n(C)c(=O)n2C ZINC000004942229 181176389 /nfs/dbraw/zinc/17/63/89/181176389.db2.gz CQIQORCKBRTXGA-ZETCQYMHSA-N 0 0 309.347 0.286 50 0 DCAARN Cn1nc(CC(=O)Nc2nncs2)c2ccccc2c1=O ZINC000004940050 181176625 /nfs/dbraw/zinc/17/66/25/181176625.db2.gz WMBOYWFDHIYILI-UHFFFAOYSA-N 0 0 301.331 0.966 50 0 DCAARN C[C@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1c[nH]cn1 ZINC000004955563 181178996 /nfs/dbraw/zinc/17/89/96/181178996.db2.gz CWQVKLRPBDHTOV-QWRGUYRKSA-N 0 0 314.411 0.725 50 0 DCAARN CCOC(=O)CCC(=O)Nc1ccc(-n2nnn(C)c2=O)cc1 ZINC000075163059 191436988 /nfs/dbraw/zinc/43/69/88/191436988.db2.gz WVBWLUQHINYBGU-UHFFFAOYSA-N 0 0 319.321 0.248 50 0 DCAARN Cc1onc2c1c(C)nn(CCC(=O)NC[C@H]1CCCO1)c2=O ZINC000075403107 191471472 /nfs/dbraw/zinc/47/14/72/191471472.db2.gz SPJJXIQCZLKKFX-LLVKDONJSA-N 0 0 320.349 0.687 50 0 DCAARN CN(C)c1cccc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000076019063 191554311 /nfs/dbraw/zinc/55/43/11/191554311.db2.gz COOFHLPLPGSGRW-UHFFFAOYSA-N 0 0 302.334 0.402 50 0 DCAARN O=C(c1ccc[nH]1)N1CCC[C@]2(CCC(=O)N(CCO)C2)C1 ZINC000077354473 191698250 /nfs/dbraw/zinc/69/82/50/191698250.db2.gz DJHGYEYQQRGALE-MRXNPFEDSA-N 0 0 305.378 0.852 50 0 DCAARN CN1CCN(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000005122993 181206382 /nfs/dbraw/zinc/20/63/82/181206382.db2.gz GICOCKJNQHAYIQ-ZDUSSCGKSA-N 0 0 302.378 0.749 50 0 DCAARN Cc1cccc(OCCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000005263216 181223496 /nfs/dbraw/zinc/22/34/96/181223496.db2.gz GIVWZGATLBDJLS-UHFFFAOYSA-N 0 0 314.345 0.821 50 0 DCAARN CC(C)[C@@H](C(=O)N1CCOCC1)n1nnc2ccccc2c1=O ZINC000005302983 181228050 /nfs/dbraw/zinc/22/80/50/181228050.db2.gz MDWPOSRGXOMAJQ-AWEZNQCLSA-N 0 0 316.361 0.847 50 0 DCAARN COc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@H](O)[C@H]4O)[C@@H]3C2=O)cc1 ZINC000005440361 181243639 /nfs/dbraw/zinc/24/36/39/181243639.db2.gz VQUYMXMZIHBLKK-IIEFLBBWSA-N 0 0 303.314 0.172 50 0 DCAARN O=C(NCCCn1ncccc1=O)c1cnn2c1OCCC2 ZINC000085555382 192516550 /nfs/dbraw/zinc/51/65/50/192516550.db2.gz MVVKYSMLRPCMME-UHFFFAOYSA-N 0 0 303.322 0.042 50 0 DCAARN C[C@@H](OC(=O)C1=COCCO1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000005895293 181293963 /nfs/dbraw/zinc/29/39/63/181293963.db2.gz GDWLNXCTZRCAIB-SECBINFHSA-N 0 0 320.301 0.544 50 0 DCAARN Nc1nnc(SCC(=O)NC(=O)NC2CCCC2)s1 ZINC000003513192 236849357 /nfs/dbraw/zinc/84/93/57/236849357.db2.gz LAYODBVDEOYDME-UHFFFAOYSA-N 0 0 301.397 0.981 50 0 DCAARN Cn1cc(CCNC(=O)c2ccc3c(c2)N(C)C(=O)CO3)cn1 ZINC000426651974 240353320 /nfs/dbraw/zinc/35/33/20/240353320.db2.gz HAYNVMQFBQNGON-UHFFFAOYSA-N 0 0 314.345 0.748 50 0 DCAARN C[C@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(Cl)cc3)CCN2C1=O ZINC000014750679 291187849 /nfs/dbraw/zinc/18/78/49/291187849.db2.gz KPAKGRVXFHEWTD-BXKDBHETSA-N 0 0 321.764 0.511 50 0 DCAARN Cc1ncn(CC(=O)N2CC(=O)Nc3ccccc32)c(=O)c1C ZINC000188268621 200219622 /nfs/dbraw/zinc/21/96/22/200219622.db2.gz KPLXKWIIOZYSKF-UHFFFAOYSA-N 0 0 312.329 0.845 50 0 DCAARN CC(C)(C)NC(=O)NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000005976507 181302675 /nfs/dbraw/zinc/30/26/75/181302675.db2.gz FHDBMJXLFQAXOD-UHFFFAOYSA-N 0 0 303.318 0.907 50 0 DCAARN C[C@@H](NS(=O)(=O)N1CCCC[C@H]1C)C(=O)NC(C)(C)C ZINC000239882143 238158223 /nfs/dbraw/zinc/15/82/23/238158223.db2.gz DANYIDZQAVWPEG-GHMZBOCLSA-N 0 0 305.444 0.998 50 0 DCAARN Cc1c(C(=O)O[C@@H](C)C(N)=O)sc2nc3n(c(=O)c12)CCC3 ZINC000006216924 181320163 /nfs/dbraw/zinc/32/01/63/181320163.db2.gz YKYHQZGRXNSVTL-ZETCQYMHSA-N 0 0 321.358 0.743 50 0 DCAARN C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)C(N)=O ZINC000006436488 181341315 /nfs/dbraw/zinc/34/13/15/181341315.db2.gz 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/nfs/dbraw/zinc/07/83/76/193078376.db2.gz PQUQDEQWAOIHEJ-CYBMUJFWSA-N 0 0 319.409 0.966 50 0 DCAARN CCCn1cc(C(=O)NCc2nc(N)nc(N(C)C)n2)c(C)n1 ZINC000091616439 193079192 /nfs/dbraw/zinc/07/91/92/193079192.db2.gz WZTKAAHUUZRNJB-UHFFFAOYSA-N 0 0 318.385 0.365 50 0 DCAARN CCC[C@]1(CO)CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1 ZINC000091460297 193059552 /nfs/dbraw/zinc/05/95/52/193059552.db2.gz FCIRMEMFMZYFMP-INIZCTEOSA-N 0 0 323.393 0.099 50 0 DCAARN CCn1ccc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3O)cc1=O ZINC000091643831 193083803 /nfs/dbraw/zinc/08/38/03/193083803.db2.gz LMXGZTRYMIQGQO-BETUJISGSA-N 0 0 306.362 0.216 50 0 DCAARN CC(=O)c1ccc(N2C[C@H](CO)[C@H](CN3CCOCC3)C2)nc1 ZINC000091656843 193086144 /nfs/dbraw/zinc/08/61/44/193086144.db2.gz XIFXSRGLIBZJMA-HZPDHXFCSA-N 0 0 319.405 0.661 50 0 DCAARN COCC(=O)N1CCC[C@H](c2nnc(Cn3cccn3)n2C)C1 ZINC000091664079 193087096 /nfs/dbraw/zinc/08/70/96/193087096.db2.gz XUUSKNZUXWSYSY-LBPRGKRZSA-N 0 0 318.381 0.412 50 0 DCAARN O=C(c1n[nH]c2c1CCCC2)N1CCC2(CC1)[C@H](O)C[C@@H]2O ZINC000091694365 193092714 /nfs/dbraw/zinc/09/27/14/193092714.db2.gz LJANXQPWBJFVKU-BETUJISGSA-N 0 0 305.378 0.636 50 0 DCAARN O=C([O-])[C@H]1CC(=O)NC12CC[NH+](CCCn1ccnc1)CC2 ZINC000091736753 193099422 /nfs/dbraw/zinc/09/94/22/193099422.db2.gz UCGPGTOUGVZBPA-GFCCVEGCSA-N 0 0 306.366 0.329 50 0 DCAARN CC[C@@H](C(=O)N1CCN(c2cnccn2)CC1)n1cccn1 ZINC000091625051 193080829 /nfs/dbraw/zinc/08/08/29/193080829.db2.gz XQGPPYYMAVZQKS-ZDUSSCGKSA-N 0 0 300.366 0.973 50 0 DCAARN O=C1NC[C@H]2CN(Cc3cc4cc(F)ccc4o3)CCN2C1=O ZINC000091865892 193119827 /nfs/dbraw/zinc/11/98/27/193119827.db2.gz QHDHVEOUTAAIIJ-LBPRGKRZSA-N 0 0 317.320 0.715 50 0 DCAARN CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1ccccn1)C2 ZINC000091931542 193127751 /nfs/dbraw/zinc/12/77/51/193127751.db2.gz YJUSKWUWUHZBAL-GXTWGEPZSA-N 0 0 323.418 0.507 50 0 DCAARN CC[NH+]1CCN(CC(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)CC1 ZINC000091934645 193129354 /nfs/dbraw/zinc/12/93/54/193129354.db2.gz 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/nfs/dbraw/zinc/16/79/80/193167980.db2.gz RWSKTAVMWBZVLW-UHFFFAOYSA-N 0 0 304.394 0.292 50 0 DCAARN O=C(COC[C@@H]1CCCO1)NCc1nc(-c2cccnc2)no1 ZINC000219343731 201554353 /nfs/dbraw/zinc/55/43/53/201554353.db2.gz JFRQBFCLXQEWFY-LBPRGKRZSA-N 0 0 318.333 0.943 50 0 DCAARN COc1ccnc(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)c1 ZINC000220015044 201568022 /nfs/dbraw/zinc/56/80/22/201568022.db2.gz LWWNZUGNRRPDQK-UHFFFAOYSA-N 0 0 300.318 0.648 50 0 DCAARN CC1=CC[C@@H]2CN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)C[C@@H]2C1 ZINC000220011819 201568369 /nfs/dbraw/zinc/56/83/69/201568369.db2.gz YRHWNKXIXHMRHR-YPMHNXCESA-N 0 0 303.362 0.431 50 0 DCAARN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(N)=O ZINC000007726546 181490486 /nfs/dbraw/zinc/49/04/86/181490486.db2.gz RCSICBOFAUVIMR-ZETCQYMHSA-N 0 0 320.754 0.035 50 0 DCAARN Cc1cc(NC(=O)Cn2c(C)nn(C(C)(C)C)c2=O)n(C)n1 ZINC000095997489 193485380 /nfs/dbraw/zinc/48/53/80/193485380.db2.gz QFUXBYDAIFOIHL-UHFFFAOYSA-N 0 0 306.370 0.789 50 0 DCAARN Cn1nnc2ccc(C(=O)NCCNC(=O)c3ccco3)cc21 ZINC000096013749 193490307 /nfs/dbraw/zinc/49/03/07/193490307.db2.gz XOFGWQACWATXGN-UHFFFAOYSA-N 0 0 313.317 0.721 50 0 DCAARN CC(C)n1nc(CC(N)=O)nc1-c1ccc(S(C)(=O)=O)cc1 ZINC000096133489 193548100 /nfs/dbraw/zinc/54/81/00/193548100.db2.gz BHYKWZQZSHLVBS-UHFFFAOYSA-N 0 0 322.390 0.957 50 0 DCAARN Cc1cccc(CS(=O)(=O)N2CC[C@H](S(C)(=O)=O)C2)c1 ZINC000096365192 193616272 /nfs/dbraw/zinc/61/62/72/193616272.db2.gz NFCZXVYRVVTCBY-ZDUSSCGKSA-N 0 0 317.432 0.944 50 0 DCAARN Cn1cnnc1SCC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000008249624 181539895 /nfs/dbraw/zinc/53/98/95/181539895.db2.gz GADRIEAAIHCJIF-SNVBAGLBSA-N 0 0 320.374 0.863 50 0 DCAARN COCCNc1nnc(Sc2ccc3nnnn3n2)s1 ZINC000008724780 181578929 /nfs/dbraw/zinc/57/89/29/181578929.db2.gz UASKOOFSDGDREG-UHFFFAOYSA-N 0 0 310.368 0.580 50 0 DCAARN CCC1(CC)NC(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O ZINC000009365540 181617477 /nfs/dbraw/zinc/61/74/77/181617477.db2.gz SZHSHTKLSUKANN-UHFFFAOYSA-N 0 0 324.381 0.865 50 0 DCAARN Cn1c2ccc(NC(=O)CN3CCCC3)cc2n(C)c(=O)c1=O ZINC000009879797 181645405 /nfs/dbraw/zinc/64/54/05/181645405.db2.gz VJYNHOMFGTXFBO-UHFFFAOYSA-N 0 0 316.361 0.272 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccncc2)C1 ZINC000010302171 181664820 /nfs/dbraw/zinc/66/48/20/181664820.db2.gz KCURWUDXGVKQKP-CYBMUJFWSA-N 0 0 311.407 0.760 50 0 DCAARN Cc1cc(S(=O)(=O)N(CCO)CCO)c(C)cc1Cl ZINC000011566236 181694066 /nfs/dbraw/zinc/69/40/66/181694066.db2.gz FSMMJYLAIDVHTN-UHFFFAOYSA-N 0 0 307.799 0.932 50 0 DCAARN COC(=O)CNC(=O)c1ccc(NC(=O)C2=COCCO2)cc1 ZINC000012765623 181795006 /nfs/dbraw/zinc/79/50/06/181795006.db2.gz DRRKRSQHFIXTPI-UHFFFAOYSA-N 0 0 320.301 0.416 50 0 DCAARN Cc1ccc(-n2cc(C(=O)N3CCC(C(N)=O)CC3)nn2)cc1 ZINC000013355567 181845931 /nfs/dbraw/zinc/84/59/31/181845931.db2.gz SJVNMXWHHDOWJY-UHFFFAOYSA-N 0 0 313.361 0.913 50 0 DCAARN Cn1ncc2c1ncn(CC(=O)Nc1ccccc1F)c2=O ZINC000014020049 181920377 /nfs/dbraw/zinc/92/03/77/181920377.db2.gz RUUVZPZQRUOGQC-UHFFFAOYSA-N 0 0 301.281 0.908 50 0 DCAARN COc1ccc(S(=O)(=O)NC2CCN(C(C)=O)CC2)cc1 ZINC000014806063 181971775 /nfs/dbraw/zinc/97/17/75/181971775.db2.gz ZANKNUUNDKGMHP-UHFFFAOYSA-N 0 0 312.391 0.984 50 0 DCAARN O=C(CCn1nc(-c2cccs2)oc1=O)O[C@@H]1CCOC1=O ZINC000016365996 182043129 /nfs/dbraw/zinc/04/31/29/182043129.db2.gz WPAFGXMCDCXSTE-MRVPVSSYSA-N 0 0 324.314 0.814 50 0 DCAARN CNC(=O)c1cc(S(=O)(=O)NC(C)(C)CO)ccc1OC ZINC000016648687 182055673 /nfs/dbraw/zinc/05/56/73/182055673.db2.gz SWJFYCRHJDLLEM-UHFFFAOYSA-N 0 0 316.379 0.104 50 0 DCAARN CC(C)NC(=O)C(=O)NCCN1CCO[C@H](c2ccccc2)C1 ZINC000017113415 182075947 /nfs/dbraw/zinc/07/59/47/182075947.db2.gz ZWIPXDJWAGUCOR-HNNXBMFYSA-N 0 0 319.405 0.701 50 0 DCAARN CCCCNC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12 ZINC000017270351 182081143 /nfs/dbraw/zinc/08/11/43/182081143.db2.gz IAGALJKJOQAYGV-UHFFFAOYSA-N 0 0 302.334 0.456 50 0 DCAARN O=C(Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1)c1nc[nH]n1 ZINC000018284734 182101141 /nfs/dbraw/zinc/10/11/41/182101141.db2.gz WSAKETQGNYZIIH-GFCCVEGCSA-N 0 0 315.333 0.966 50 0 DCAARN CC(=O)C[C@]1(O)c2ccccc2N(CN2CCOCC2)C1=O ZINC000019228801 182109193 /nfs/dbraw/zinc/10/91/93/182109193.db2.gz DLOKZIXFOSXYHC-INIZCTEOSA-N 0 0 304.346 0.490 50 0 DCAARN CCc1ccc(OC[C@H](O)CN2CCN(CCO)CC2)cc1 ZINC000019522910 182127077 /nfs/dbraw/zinc/12/70/77/182127077.db2.gz UOUZBTMSIFDMTF-MRXNPFEDSA-N 0 0 308.422 0.599 50 0 DCAARN OCCN1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000019771017 182145235 /nfs/dbraw/zinc/14/52/35/182145235.db2.gz IXPPKJUKFVCFSX-AWEZNQCLSA-N 0 0 314.813 0.690 50 0 DCAARN OCCN1CCN(C[C@H](O)COc2ccc3c(c2)CCC3)CC1 ZINC000019957973 182170005 /nfs/dbraw/zinc/17/00/05/182170005.db2.gz NMLCHPNWMKTBSH-KRWDZBQOSA-N 0 0 320.433 0.525 50 0 DCAARN CN1CC[NH+]([C@@H](CC(=O)Nc2ccc(O)cc2)C(=O)[O-])CC1 ZINC000019938652 182168154 /nfs/dbraw/zinc/16/81/54/182168154.db2.gz SHOTVTPPFQXKMD-ZDUSSCGKSA-N 0 0 307.350 0.421 50 0 DCAARN CCCOC(=O)C1=C(C)N[C@]2(O)c3ccccc3C(=O)[C@@]12O ZINC000020159109 182194137 /nfs/dbraw/zinc/19/41/37/182194137.db2.gz XCMCQTWJJCRMCW-HOTGVXAUSA-N 0 0 303.314 0.590 50 0 DCAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCCn2nnnc21 ZINC000097675575 193746110 /nfs/dbraw/zinc/74/61/10/193746110.db2.gz XOBJFXITYQWZIJ-NSHDSACASA-N 0 0 315.333 0.986 50 0 DCAARN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000020457082 182219561 /nfs/dbraw/zinc/21/95/61/182219561.db2.gz NYEQSCCIXFGRQG-VXGBXAGGSA-N 0 0 305.444 0.810 50 0 DCAARN CC(=O)N1CCN(C(=O)c2ccn(C(C)(C)C)c2)C[C@@H](O)C1 ZINC000097696225 193748217 /nfs/dbraw/zinc/74/82/17/193748217.db2.gz RTQRHRYHSGCWCF-AWEZNQCLSA-N 0 0 307.394 0.908 50 0 DCAARN CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCOCC1 ZINC000020531784 182228158 /nfs/dbraw/zinc/22/81/58/182228158.db2.gz YHSWDPWGTPPHGB-UHFFFAOYSA-N 0 0 322.361 0.100 50 0 DCAARN CCN1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 ZINC000020591873 182235625 /nfs/dbraw/zinc/23/56/25/182235625.db2.gz AOXHSLZHMPXVAX-UHFFFAOYSA-N 0 0 300.362 0.561 50 0 DCAARN c1cc(-c2nc([C@@H]3CCOC3)nn2-c2ccc3nncn3n2)n[nH]1 ZINC000097742899 193751857 /nfs/dbraw/zinc/75/18/57/193751857.db2.gz BEIQGQQTZNKCIN-SECBINFHSA-N 0 0 323.320 0.599 50 0 DCAARN COc1ccc2c(c1)C=C(C(=O)NCCN1CCOCC1)CO2 ZINC000021095360 182264801 /nfs/dbraw/zinc/26/48/01/182264801.db2.gz BJLYLBDQMRVTEP-UHFFFAOYSA-N 0 0 318.373 0.919 50 0 DCAARN CCOC(=O)[C@@H]1CCCN(Cc2oc(CO)cc(=O)c2O)C1 ZINC000021486713 182275075 /nfs/dbraw/zinc/27/50/75/182275075.db2.gz VOCYSLHXAAGZNE-SNVBAGLBSA-N 0 0 311.334 0.613 50 0 DCAARN CC(=O)Nc1ccc(CNC(=O)[C@@H](NC(N)=O)C(C)C)cc1 ZINC000021133488 182265945 /nfs/dbraw/zinc/26/59/45/182265945.db2.gz GGVXKAIXTKZMFT-ZDUSSCGKSA-N 0 0 306.366 0.954 50 0 DCAARN CC[C@H](CO)NC(=O)c1nn(-c2ccc(C)cc2)nc1CO ZINC000021172719 182268556 /nfs/dbraw/zinc/26/85/56/182268556.db2.gz DGRRCFJIRWPQAV-LLVKDONJSA-N 0 0 304.350 0.569 50 0 DCAARN Cc1csc(=O)n1CC(=O)OCC(=O)N[C@H](C)C(C)C ZINC000022382354 182320329 /nfs/dbraw/zinc/32/03/29/182320329.db2.gz JIAMFZRQMNGBMK-SNVBAGLBSA-N 0 0 300.380 0.922 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(S[C@H]2CCOC2=O)nc1 ZINC000022224797 182313487 /nfs/dbraw/zinc/31/34/87/182313487.db2.gz URUVZAAQGVISDB-VIFPVBQESA-N 0 0 302.377 0.740 50 0 DCAARN Cn1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)n1 ZINC000022475743 182323212 /nfs/dbraw/zinc/32/32/12/182323212.db2.gz FEHFAIKVABLCOY-UHFFFAOYSA-N 0 0 322.390 0.764 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000097941052 193769245 /nfs/dbraw/zinc/76/92/45/193769245.db2.gz LIXQOTJIFYWNQN-JTQLQIEISA-N 0 0 323.378 0.859 50 0 DCAARN NC(=O)C1CCN(CN2C(=O)NC3(CCCCCC3)C2=O)CC1 ZINC000023584592 182363761 /nfs/dbraw/zinc/36/37/61/182363761.db2.gz LUBPDQIFMHBAHA-UHFFFAOYSA-N 0 0 322.409 0.786 50 0 DCAARN Cc1ccc(C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)cn1 ZINC000024131390 182375881 /nfs/dbraw/zinc/37/58/81/182375881.db2.gz MZKSFLOYTANVRC-LBPRGKRZSA-N 0 0 305.334 0.413 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCN(C(=O)C3CC3)CC2)on1 ZINC000024595793 182384420 /nfs/dbraw/zinc/38/44/20/182384420.db2.gz ZYFBPGJULVJVJR-NSHDSACASA-N 0 0 306.366 0.864 50 0 DCAARN Cc1cccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)n1 ZINC000024685883 182387945 /nfs/dbraw/zinc/38/79/45/182387945.db2.gz CSBJNVHSFKXTHO-GFCCVEGCSA-N 0 0 311.407 0.934 50 0 DCAARN C[C@@H](CNC(=O)Cn1cccnc1=O)N1CCc2ccccc21 ZINC000025140528 182403089 /nfs/dbraw/zinc/40/30/89/182403089.db2.gz NVTJLWULFNUCTG-ZDUSSCGKSA-N 0 0 312.373 0.811 50 0 DCAARN C[C@H](NC(=O)Cn1nnn(-c2cccs2)c1=O)[C@@H]1CCCO1 ZINC000027893226 182496484 /nfs/dbraw/zinc/49/64/84/182496484.db2.gz INTJBTCCCDTTRD-UWVGGRQHSA-N 0 0 323.378 0.174 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)Cc2cccs2)CC1 ZINC000040062146 183030688 /nfs/dbraw/zinc/03/06/88/183030688.db2.gz IVDPYKCMPVCQRH-UHFFFAOYSA-N 0 0 302.421 0.831 50 0 DCAARN Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCCC2)c1 ZINC000040266537 183049091 /nfs/dbraw/zinc/04/90/91/183049091.db2.gz MTQKISYVRFDNOS-UHFFFAOYSA-N 0 0 300.322 0.532 50 0 DCAARN NS(=O)(=O)CCNC(=O)Nc1nc2ccccc2s1 ZINC000040119655 183038091 /nfs/dbraw/zinc/03/80/91/183038091.db2.gz ZRNJQHSWIUYICK-UHFFFAOYSA-N 0 0 300.365 0.706 50 0 DCAARN Cc1ccnn1CCNC(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000040267527 183049765 /nfs/dbraw/zinc/04/97/65/183049765.db2.gz JZCWLBDCJXSCHH-UHFFFAOYSA-N 0 0 304.354 0.297 50 0 DCAARN COC(=O)c1ccc(OC[C@@H](O)CN2C(=O)CN(C)C2=O)cc1 ZINC000040477391 183075300 /nfs/dbraw/zinc/07/53/00/183075300.db2.gz VYSNJPZYZJVZLA-NSHDSACASA-N 0 0 322.317 0.107 50 0 DCAARN CC(C)(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCOCC1 ZINC000040489987 183079782 /nfs/dbraw/zinc/07/97/82/183079782.db2.gz GVSJXWZULOCAKV-UHFFFAOYSA-N 0 0 303.362 0.801 50 0 DCAARN O=C(N1CCCCC1)N1CCN(Cc2nnnn2C2CC2)CC1 ZINC000040497704 183081649 /nfs/dbraw/zinc/08/16/49/183081649.db2.gz UPIGVDYBQMULCO-UHFFFAOYSA-N 0 0 319.413 0.732 50 0 DCAARN O=C(Cn1cnc2ccc(F)cc2c1=O)NC[C@H]1CCOC1 ZINC000040514269 183088913 /nfs/dbraw/zinc/08/89/13/183088913.db2.gz BLXDKONSOMOCCC-SNVBAGLBSA-N 0 0 305.309 0.688 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)CN1CCOCC1 ZINC000040528149 183093292 /nfs/dbraw/zinc/09/32/92/183093292.db2.gz NPIQXGPVTRRNEL-VIFPVBQESA-N 0 0 303.384 0.290 50 0 DCAARN O=C1NCCCC[C@H]1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000040527177 183093478 /nfs/dbraw/zinc/09/34/78/183093478.db2.gz FBBBOOWDZVBNDN-LLVKDONJSA-N 0 0 304.318 0.912 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@@H]2CCCCNC2=O)cc1F ZINC000040527157 183093717 /nfs/dbraw/zinc/09/37/17/183093717.db2.gz DBJOIKNSKBZYCD-LLVKDONJSA-N 0 0 316.354 0.781 50 0 DCAARN Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCC(=O)N(C)C)O2 ZINC000040808715 183136629 /nfs/dbraw/zinc/13/66/29/183136629.db2.gz YLMHBNPQOXRPIK-HNNXBMFYSA-N 0 0 305.334 0.289 50 0 DCAARN COc1ccc(OC)c(CCC(=O)N2CC[C@@H](C(N)=O)C2)c1 ZINC000041130241 183170331 /nfs/dbraw/zinc/17/03/31/183170331.db2.gz UYTXEXJHMQLWTJ-GFCCVEGCSA-N 0 0 306.362 0.970 50 0 DCAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCC2CC2)C1=O ZINC000042082768 183232325 /nfs/dbraw/zinc/23/23/25/183232325.db2.gz SWLNDXBNHNUSBC-INIZCTEOSA-N 0 0 301.346 0.980 50 0 DCAARN COc1nn(C)cc1C(=O)NCc1n[nH]c(=O)c2ccccc12 ZINC000044059507 183393857 /nfs/dbraw/zinc/39/38/57/183393857.db2.gz LWKWHJYYGKZTIM-UHFFFAOYSA-N 0 0 313.317 0.595 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccco2)n[nH]1 ZINC000044227297 183399269 /nfs/dbraw/zinc/39/92/69/183399269.db2.gz XZKVBIHDPHKSNE-SECBINFHSA-N 0 0 309.347 0.834 50 0 DCAARN Cn1ncc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1-n1cccc1 ZINC000044724122 183435733 /nfs/dbraw/zinc/43/57/33/183435733.db2.gz BKHAMLYEQJTZIR-NSHDSACASA-N 0 0 322.390 0.375 50 0 DCAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)c1nncn1C ZINC000044947155 183464344 /nfs/dbraw/zinc/46/43/44/183464344.db2.gz DYEFBKRZYBWOHB-NXEZZACHSA-N 0 0 300.384 0.378 50 0 DCAARN CC1CCN(CCNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000044969450 183469158 /nfs/dbraw/zinc/46/91/58/183469158.db2.gz DFDXPDBYGQTEAH-ZDUSSCGKSA-N 0 0 317.455 0.547 50 0 DCAARN CCOC(=O)[C@H]1CCCN([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000105131775 194078325 /nfs/dbraw/zinc/07/83/25/194078325.db2.gz OVLZEPUSHKAOKO-MNOVXSKESA-N 0 0 322.413 0.856 50 0 DCAARN CCC(C)(C)NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000047666056 183600757 /nfs/dbraw/zinc/60/07/57/183600757.db2.gz PHHCXCFRFBKONN-QWRGUYRKSA-N 0 0 316.423 0.327 50 0 DCAARN C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1ccncc1 ZINC000047902711 183608129 /nfs/dbraw/zinc/60/81/29/183608129.db2.gz RUMQDERLFPLZNC-NSHDSACASA-N 0 0 314.411 0.723 50 0 DCAARN CCc1nc([C@H]2CCCN(S(=O)(=O)[C@H]3CCOC3)C2)no1 ZINC000106800465 194255070 /nfs/dbraw/zinc/25/50/70/194255070.db2.gz KUHCNRVBHZPCTC-QWRGUYRKSA-N 0 0 315.395 0.930 50 0 DCAARN CCc1nc(CC(=O)N2CCC3(CC2)NC(=O)NC3=O)cs1 ZINC000055160506 183967212 /nfs/dbraw/zinc/96/72/12/183967212.db2.gz GDDUWVJKOUXVKT-UHFFFAOYSA-N 0 0 322.390 0.449 50 0 DCAARN CCCc1cc(C(=O)N2CCC[C@H](C(=O)NCCCO)C2)[nH]n1 ZINC000055414164 183986723 /nfs/dbraw/zinc/98/67/23/183986723.db2.gz JXDFYIFIJCOLRY-LBPRGKRZSA-N 0 0 322.409 0.713 50 0 DCAARN CS(=O)(=O)Cc1ccc(CNC(=O)c2cnccn2)cc1 ZINC000055822246 183998129 /nfs/dbraw/zinc/99/81/29/183998129.db2.gz OWSHNPNUOLTCFG-UHFFFAOYSA-N 0 0 305.359 0.951 50 0 DCAARN NC(=O)CC1CCN(C(=O)NCc2nc(C3CC3)no2)CC1 ZINC000056446835 184012822 /nfs/dbraw/zinc/01/28/22/184012822.db2.gz OTVQQRHUSOFGNL-UHFFFAOYSA-N 0 0 307.354 0.744 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N1CCC(Oc2ccccc2)CC1 ZINC000056377631 184011989 /nfs/dbraw/zinc/01/19/89/184011989.db2.gz HRPUJIFARIHAQD-CYBMUJFWSA-N 0 0 317.345 0.655 50 0 DCAARN CCN1C[C@H](C(=O)NCCNC(=O)c2ccc(F)cc2)CC1=O ZINC000056989099 184023558 /nfs/dbraw/zinc/02/35/58/184023558.db2.gz QNSVMVLPYAZWTJ-GFCCVEGCSA-N 0 0 321.352 0.540 50 0 DCAARN CCOC(=O)CNC(=O)Cn1cnc2ccc(Cl)cc2c1=O ZINC000057522364 184040920 /nfs/dbraw/zinc/04/09/20/184040920.db2.gz KFWIDDYHIQRTKH-UHFFFAOYSA-N 0 0 323.736 0.729 50 0 DCAARN Cn1ccnc1[C@@H](NC(=O)Cn1cnnn1)c1cccc(F)c1 ZINC000057852089 184057792 /nfs/dbraw/zinc/05/77/92/184057792.db2.gz YREWQIGFXPJYKZ-ZDUSSCGKSA-N 0 0 315.312 0.452 50 0 DCAARN O=C(CN1C(=O)NC2(CCOCC2)C1=O)Nc1cccc(F)c1 ZINC000057947857 184063581 /nfs/dbraw/zinc/06/35/81/184063581.db2.gz OISYFLUPAMDTBX-UHFFFAOYSA-N 0 0 321.308 0.865 50 0 DCAARN CC/C=C(/C)C(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000058203262 184087486 /nfs/dbraw/zinc/08/74/86/184087486.db2.gz LIOGAVCBSWZRKP-ISGXEFFDSA-N 0 0 318.439 0.898 50 0 DCAARN CCOC(=O)C1(NC(=O)C2=NN(C)C(=O)CC2)CCCCC1 ZINC000058357638 184108671 /nfs/dbraw/zinc/10/86/71/184108671.db2.gz HYFPQAPBVUPHNE-UHFFFAOYSA-N 0 0 309.366 0.977 50 0 DCAARN COC(=O)c1ccccc1NCC(=O)NCC(=O)N1CCCC1 ZINC000058379715 184110556 /nfs/dbraw/zinc/11/05/56/184110556.db2.gz YJBYVJPQOIEYLL-UHFFFAOYSA-N 0 0 319.361 0.624 50 0 DCAARN O=C(Cc1ccc(-n2cnnn2)cc1)NO[C@H]1CCCCO1 ZINC000058390645 184111028 /nfs/dbraw/zinc/11/10/28/184111028.db2.gz RWEWJZAZZUDWQN-AWEZNQCLSA-N 0 0 303.322 0.779 50 0 DCAARN O=C(CCn1nnc2ccccc2c1=O)Nc1ccc[nH]c1=O ZINC000058280538 184098906 /nfs/dbraw/zinc/09/89/06/184098906.db2.gz UVPAULGPLRMJFY-UHFFFAOYSA-N 0 0 311.301 0.509 50 0 DCAARN Cc1cc(NC(=O)Cn2c(=O)onc2-c2ncccn2)on1 ZINC000058295208 184101724 /nfs/dbraw/zinc/10/17/24/184101724.db2.gz HHMIEVKZEWKKPA-UHFFFAOYSA-N 0 0 302.250 0.228 50 0 DCAARN COC(=O)CC1CCN(Cc2oc(CO)cc(=O)c2O)CC1 ZINC000062001677 184200398 /nfs/dbraw/zinc/20/03/98/184200398.db2.gz ILHILIMMVKIQMI-UHFFFAOYSA-N 0 0 311.334 0.613 50 0 biogenic DCAARN COc1ccc(CNC(=O)CCS(C)(=O)=O)cc1OC ZINC000062090715 184205427 /nfs/dbraw/zinc/20/54/27/184205427.db2.gz QROXZLYNCAMEHA-UHFFFAOYSA-N 0 0 301.364 0.755 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(C)n1C ZINC000064923138 184306230 /nfs/dbraw/zinc/30/62/30/184306230.db2.gz RIRQNGDJCBJCAA-UHFFFAOYSA-N 0 0 302.352 0.141 50 0 DCAARN CCN(CC)c1ncnc2c1cnn2CC(=O)NCCOC ZINC000065295924 184324002 /nfs/dbraw/zinc/32/40/02/184324002.db2.gz VLPLBYSWCBCVOW-UHFFFAOYSA-N 0 0 306.370 0.435 50 0 DCAARN C[C@@H](CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC000065427600 184343558 /nfs/dbraw/zinc/34/35/58/184343558.db2.gz YPTMYIIXMXQETA-NWDGAFQWSA-N 0 0 303.428 0.299 50 0 DCAARN COc1c(F)cccc1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C(=O)[O-])C1 ZINC000065434175 184344667 /nfs/dbraw/zinc/34/46/67/184344667.db2.gz IPBDDLPQTLHQQF-VFZGTOFNSA-N 0 0 308.309 0.581 50 0 DCAARN COCCCNC(=O)CN1CCc2ncnc(N(C)C)c2C1 ZINC000065458652 184348180 /nfs/dbraw/zinc/34/81/80/184348180.db2.gz QBBJCRQVKFEHIL-UHFFFAOYSA-N 0 0 307.398 0.053 50 0 DCAARN NC(=O)CN1CCCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 ZINC000065459511 184348366 /nfs/dbraw/zinc/34/83/66/184348366.db2.gz PDGQZFNNDSSMCX-UHFFFAOYSA-N 0 0 317.389 0.184 50 0 DCAARN Cc1cc(NC(=O)CN2CCc3ncnc(N(C)C)c3C2)on1 ZINC000065462950 184348944 /nfs/dbraw/zinc/34/89/44/184348944.db2.gz KCDCSDXBQCOVKC-UHFFFAOYSA-N 0 0 316.365 0.836 50 0 DCAARN O=C([O-])[C@]12CN(C(=O)C3CC3)C[C@H]1C[N@H+](Cc1cccnc1)C2 ZINC000065405270 184337800 /nfs/dbraw/zinc/33/78/00/184337800.db2.gz ITBRIGIQIORMKF-RHSMWYFYSA-N 0 0 315.373 0.837 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)NCc2ccnc(-n3cccn3)c2)C1 ZINC000065530657 184361268 /nfs/dbraw/zinc/36/12/68/184361268.db2.gz XILKFIPPIVABQG-GFCCVEGCSA-N 0 0 314.349 0.284 50 0 DCAARN O=C1[C@H]2CCCN2C(=O)N1C[C@H](O)COCc1ccccc1 ZINC000065552829 184365009 /nfs/dbraw/zinc/36/50/09/184365009.db2.gz XGUGTMWPAWUBFT-UONOGXRCSA-N 0 0 304.346 0.991 50 0 DCAARN COCCCS(=O)(=O)N1CCN(C(=O)C2CCCC2)CC1 ZINC000065575324 184367910 /nfs/dbraw/zinc/36/79/10/184367910.db2.gz LFCBLAWUQRWZGQ-UHFFFAOYSA-N 0 0 318.439 0.687 50 0 DCAARN CC[C@@H]1CN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000065610073 184373332 /nfs/dbraw/zinc/37/33/32/184373332.db2.gz PFQWGQDUIZURIK-GFCCVEGCSA-N 0 0 319.427 0.231 50 0 DCAARN CC(=O)N1CCN(CCNC(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000065593643 184370235 /nfs/dbraw/zinc/37/02/35/184370235.db2.gz PTNBYWMVPZLOLD-UHFFFAOYSA-N 0 0 305.382 0.181 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000065501031 184355540 /nfs/dbraw/zinc/35/55/40/184355540.db2.gz NMBMVNHSCQBWLO-OLZOCXBDSA-N 0 0 319.336 0.957 50 0 DCAARN CCN(C[C@@H]1CCOC1)C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000048262806 285034497 /nfs/dbraw/zinc/03/44/97/285034497.db2.gz WUAIDQQOEFABMX-NWDGAFQWSA-N 0 0 304.412 0.295 50 0 DCAARN O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000119890565 195056982 /nfs/dbraw/zinc/05/69/82/195056982.db2.gz QUFFEWBLDLLWIN-ZDUSSCGKSA-N 0 0 315.377 0.769 50 0 DCAARN COCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000408520569 533065197 /nfs/dbraw/zinc/06/51/97/533065197.db2.gz MAIBUAZBCCOHHK-LLVKDONJSA-N 0 0 302.371 0.775 50 0 DCAARN C[C@@H]1CCCN(S(=O)(=O)N2CC[S@@](=O)C(C)(C)C2)C1 ZINC000096461883 296395855 /nfs/dbraw/zinc/39/58/55/296395855.db2.gz JLFMOXVMVIMJGU-ZMZPIMSZSA-N 0 0 308.469 0.806 50 0 DCAARN O=C(CN1CCN(c2ccccn2)CC1)N1CCC[C@@H]1CO ZINC000154095200 196938663 /nfs/dbraw/zinc/93/86/63/196938663.db2.gz ATGOLEJAJMSHIR-CQSZACIVSA-N 0 0 304.394 0.187 50 0 DCAARN CC[N@@H+]1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O ZINC000242688101 285254613 /nfs/dbraw/zinc/25/46/13/285254613.db2.gz VFTQFIAOSCQNOF-XRMRDTNMSA-N 0 0 306.362 0.337 50 0 DCAARN C[C@@H]1C[C@H]1C(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000242273690 256604314 /nfs/dbraw/zinc/60/43/14/256604314.db2.gz YFALIFYLIJQUGZ-DDHJBXDOSA-N 0 0 304.412 0.198 50 0 DCAARN Cc1cc(=O)c(OCC(=O)Nc2ccn3nnnc3c2)c[nH]1 ZINC000524735685 257213358 /nfs/dbraw/zinc/21/33/58/257213358.db2.gz RKJMSGJLVZJNNB-UHFFFAOYSA-N 0 0 300.278 0.139 50 0 DCAARN CC[C@H](NC(=O)c1ccc(S(=O)(=O)NC)nc1)C(C)(C)O ZINC000358623327 257235814 /nfs/dbraw/zinc/23/58/14/257235814.db2.gz DIAALYFZHPGPQI-JTQLQIEISA-N 0 0 315.395 0.269 50 0 DCAARN O=C1NCC[C@H]1Oc1ccccc1S(=O)(=O)N1CCCC1 ZINC000521397030 257240498 /nfs/dbraw/zinc/24/04/98/257240498.db2.gz LYRVBGLPEKQUOZ-GFCCVEGCSA-N 0 0 310.375 0.738 50 0 DCAARN C[C@H](C(=O)NCc1cnc2c(c1)CCC2)N1CCN(C)CC1 ZINC000426615188 257245093 /nfs/dbraw/zinc/24/50/93/257245093.db2.gz QUSLNCOMKQWYQZ-CYBMUJFWSA-N 0 0 302.422 0.822 50 0 DCAARN CS(=O)(=O)NCc1cc2n(n1)CCN(Cc1ccoc1)C2 ZINC000426518859 257247536 /nfs/dbraw/zinc/24/75/36/257247536.db2.gz VVFOQSZLKHWQJG-UHFFFAOYSA-N 0 0 310.379 0.541 50 0 DCAARN CCn1cc(CNC(=O)N(C)C2CCS(=O)(=O)CC2)cn1 ZINC000426514917 257247743 /nfs/dbraw/zinc/24/77/43/257247743.db2.gz UWQQRBFJQXCYNC-UHFFFAOYSA-N 0 0 314.411 0.622 50 0 DCAARN C[C@@H](NC(=O)N(C)Cc1[nH]nc2c1CCC2)c1nncn1C ZINC000426491365 257248563 /nfs/dbraw/zinc/24/85/63/257248563.db2.gz FJAWBSXTEIBOFM-SECBINFHSA-N 0 0 303.370 0.930 50 0 DCAARN O[C@@H]1CN(CCn2cc(Cl)cn2)CC[C@H]1Nc1ncccn1 ZINC000426486447 257249207 /nfs/dbraw/zinc/24/92/07/257249207.db2.gz SJJAGWAIUFCXTA-CHWSQXEVSA-N 0 0 322.800 0.874 50 0 DCAARN CCc1noc(CNC(=O)N2CCN(CCSC)CC2)n1 ZINC000426477217 257249292 /nfs/dbraw/zinc/24/92/92/257249292.db2.gz MCNGJHWEEYXJKL-UHFFFAOYSA-N 0 0 313.427 0.822 50 0 DCAARN Cc1cnn(CC2CCN(C(=O)CCn3nnnc3C)CC2)c1 ZINC000426441928 257250369 /nfs/dbraw/zinc/25/03/69/257250369.db2.gz RDDHDCGUPHQIQN-UHFFFAOYSA-N 0 0 317.397 0.815 50 0 DCAARN O=C(COCc1nc2ccccc2[nH]1)NCCc1cn[nH]n1 ZINC000426422885 257251228 /nfs/dbraw/zinc/25/12/28/257251228.db2.gz KIFRYGWZDFUUJV-UHFFFAOYSA-N 0 0 300.322 0.557 50 0 DCAARN COc1cc2c(cc1NC(=O)N1CCOCC1)n(C)c(=O)n2C ZINC000426402074 257251385 /nfs/dbraw/zinc/25/13/85/257251385.db2.gz UIWQMBMROJZUPJ-UHFFFAOYSA-N 0 0 320.349 0.750 50 0 DCAARN Cc1ccc(C(=O)N(C)Cc2n[nH]c(=O)[n-]2)cc1OCC[NH3+] ZINC000426405761 257251559 /nfs/dbraw/zinc/25/15/59/257251559.db2.gz RKIADBBYKQJPOV-UHFFFAOYSA-N 0 0 305.338 0.428 50 0 DCAARN OC1CN(c2nc([C@H]3CCOC3)cc(N3CCSCC3)n2)C1 ZINC000426403450 257251649 /nfs/dbraw/zinc/25/16/49/257251649.db2.gz DMMDOQAERCXSKX-NSHDSACASA-N 0 0 322.434 0.715 50 0 DCAARN CC(C)c1nnc([C@@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)o1 ZINC000426359619 257253185 /nfs/dbraw/zinc/25/31/85/257253185.db2.gz LLEKJISAWHMFJX-MRVPVSSYSA-N 0 0 307.310 0.333 50 0 DCAARN C[N@@H+]1C[C@H]2CN(C(=O)Cc3cc(F)ccc3F)C[C@@]2(C(=O)[O-])C1 ZINC000426370442 257253192 /nfs/dbraw/zinc/25/31/92/257253192.db2.gz ZUBZSJWMXAIUOW-ZBEGNZNMSA-N 0 0 324.327 0.982 50 0 DCAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000252512330 257258257 /nfs/dbraw/zinc/25/82/57/257258257.db2.gz PJHADRCTVVQZEI-GRYCIOLGSA-N 0 0 324.468 0.376 50 0 DCAARN CC(C)S(=O)(=O)N1CCC(Cn2cc([C@H](C)O)nn2)CC1 ZINC000023191914 257269134 /nfs/dbraw/zinc/26/91/34/257269134.db2.gz VLYAGORTUUAKNO-NSHDSACASA-N 0 0 316.427 0.782 50 0 DCAARN CC(C)CCS(=O)(=O)CC(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000071829546 184858799 /nfs/dbraw/zinc/85/87/99/184858799.db2.gz BFOGTBWNOFOMDL-VXGBXAGGSA-N 0 0 318.439 0.560 50 0 DCAARN Cc1ccc(N2CCCN(C(=O)c3cnn(C)c3)CC2)nn1 ZINC000071860371 184873145 /nfs/dbraw/zinc/87/31/45/184873145.db2.gz UIKMBHMJGDTMML-UHFFFAOYSA-N 0 0 300.366 0.871 50 0 DCAARN CCOCCNC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000069586591 184818308 /nfs/dbraw/zinc/81/83/08/184818308.db2.gz LUTXAGJFXHJUJQ-UHFFFAOYSA-N 0 0 321.377 0.896 50 0 DCAARN C[S@@](=O)c1nncn1CC(=O)NCC1(c2ccccc2)CC1 ZINC000071804151 184847254 /nfs/dbraw/zinc/84/72/54/184847254.db2.gz IKFIIYJPIMXTPS-QFIPXVFZSA-N 0 0 318.402 0.864 50 0 DCAARN O=C(Cn1cnnn1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000071883059 184886804 /nfs/dbraw/zinc/88/68/04/184886804.db2.gz JAUXSKAXYAAIFE-SNVBAGLBSA-N 0 0 308.292 0.346 50 0 DCAARN COc1cccc(CN2CCN(C(=O)[C@H](O)C(C)C)CC2=O)c1 ZINC000072436650 533479251 /nfs/dbraw/zinc/47/92/51/533479251.db2.gz DIVFTRZGTSTPII-MRXNPFEDSA-N 0 0 320.389 0.883 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1cccc2cccnc21 ZINC000285163279 131144410 /nfs/dbraw/zinc/14/44/10/131144410.db2.gz UNLCELGVGODREC-MNOVXSKESA-N 0 0 323.349 0.821 50 0 DCAARN C[C@@H]1CCCCN1C(=O)Cn1nnn(-c2ccccc2)c1=O ZINC000008251159 395684311 /nfs/dbraw/zinc/68/43/11/395684311.db2.gz NMCLDMCTJNAVKF-GFCCVEGCSA-N 0 0 301.350 0.830 50 0 DCAARN COCCNC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000008245691 395684316 /nfs/dbraw/zinc/68/43/16/395684316.db2.gz UWWBWOLYAWXUMY-ZDUSSCGKSA-N 0 0 308.353 0.979 50 0 DCAARN Cc1ccc(N2C[C@H](CNS(=O)(=O)N(C)C)CC2=O)cc1 ZINC000009036901 395685044 /nfs/dbraw/zinc/68/50/44/395685044.db2.gz XKEUKRPRNVHTJO-LBPRGKRZSA-N 0 0 311.407 0.744 50 0 DCAARN COCCCNC(=O)C(=O)Nc1[nH]nc2nc(C)cc(C)c21 ZINC000009059638 395685233 /nfs/dbraw/zinc/68/52/33/395685233.db2.gz IJFRBRBTANSROH-UHFFFAOYSA-N 0 0 305.338 0.666 50 0 DCAARN O=S1(=O)C[C@@H]2NC(=S)N(c3ccc(F)cc3F)[C@@H]2C1 ZINC000009341049 395685335 /nfs/dbraw/zinc/68/53/35/395685335.db2.gz KSTVTTFNMLJMNA-WCBMZHEXSA-N 0 0 304.343 0.825 50 0 DCAARN COC(=O)c1cc(CNC(=O)C2=COCCO2)ccc1OC ZINC000009836407 395685518 /nfs/dbraw/zinc/68/55/18/395685518.db2.gz PFLFEJHOMWWDBY-UHFFFAOYSA-N 0 0 307.302 0.986 50 0 DCAARN O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1ccccc1 ZINC000009908803 395685621 /nfs/dbraw/zinc/68/56/21/395685621.db2.gz SNOYRZAZIYFQFH-UHFFFAOYSA-N 0 0 324.134 0.938 50 0 DCAARN COc1cn(CC(N)=O)c(CSc2nccc(C)n2)cc1=O ZINC000009815233 395685703 /nfs/dbraw/zinc/68/57/03/395685703.db2.gz XYHIESWZTONUPD-UHFFFAOYSA-N 0 0 320.374 0.733 50 0 DCAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)OCc1ccno1 ZINC000010213185 395685875 /nfs/dbraw/zinc/68/58/75/395685875.db2.gz MPTZCMSWLVZZSK-UHFFFAOYSA-N 0 0 304.258 0.877 50 0 DCAARN CCOCCCNC(=O)c1c(O)nc2scc(C)n2c1=O ZINC000010166689 395685990 /nfs/dbraw/zinc/68/59/90/395685990.db2.gz CDQQSZAOBUDQKX-UHFFFAOYSA-N 0 0 311.363 0.926 50 0 DCAARN C[C@H]1Cc2cc(C(=O)N3CCOCC3)ccc2N1S(C)(=O)=O ZINC000010324431 395686039 /nfs/dbraw/zinc/68/60/39/395686039.db2.gz IQKLGNLAHFCAHX-NSHDSACASA-N 0 0 324.402 0.870 50 0 DCAARN O=C(Nc1nc[nH]n1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000010435151 395686116 /nfs/dbraw/zinc/68/61/16/395686116.db2.gz KMFUGEWLLFFCOC-UHFFFAOYSA-N 0 0 321.362 0.842 50 0 DCAARN COc1ccc(C)cc1NC(=O)CNC(=O)Cn1ccnc1 ZINC000010809648 395686209 /nfs/dbraw/zinc/68/62/09/395686209.db2.gz UFDQGEIGPAGNPO-UHFFFAOYSA-N 0 0 302.334 0.955 50 0 DCAARN CCC(=O)Nc1ccc(SCC(=O)N2CCOCC2)nn1 ZINC000011739008 395686846 /nfs/dbraw/zinc/68/68/46/395686846.db2.gz BGMAHAZEMIZVBK-UHFFFAOYSA-N 0 0 310.379 0.776 50 0 DCAARN CC(C)(C)NC(=O)COC(=O)c1cccc(-n2cnnn2)c1 ZINC000012096043 395687126 /nfs/dbraw/zinc/68/71/26/395687126.db2.gz HIYGAFKNRYODBC-UHFFFAOYSA-N 0 0 303.322 0.734 50 0 DCAARN Cn1ncc2c1ncn(CCC(=O)NCc1ccccc1)c2=O ZINC000012617803 395687891 /nfs/dbraw/zinc/68/78/91/395687891.db2.gz BVADNIALCYEESJ-UHFFFAOYSA-N 0 0 311.345 0.837 50 0 DCAARN Cc1c(CC(=O)NC[C@@H](C)O)c(=O)oc2cc(O)cc(O)c12 ZINC000012892874 395688143 /nfs/dbraw/zinc/68/81/43/395688143.db2.gz BTBXRLAVEUKQLD-SSDOTTSWSA-N 0 0 307.302 0.552 50 0 biogenic DCAARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC(=O)NC1CCCC1 ZINC000012923859 395688164 /nfs/dbraw/zinc/68/81/64/395688164.db2.gz UPLLCKDPPKREPJ-VXGBXAGGSA-N 0 0 321.377 0.930 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC000012944622 395688245 /nfs/dbraw/zinc/68/82/45/395688245.db2.gz FQBKANVCXLOXLP-UHFFFAOYSA-N 0 0 318.420 0.625 50 0 DCAARN CC1CCN(C(=O)CSc2nc3n[nH]cc3c(=O)[nH]2)CC1 ZINC000013116791 395688419 /nfs/dbraw/zinc/68/84/19/395688419.db2.gz FHKSCSVONFGGPH-UHFFFAOYSA-N 0 0 307.379 0.997 50 0 DCAARN CCOC(=O)c1cc(=O)n(CC)c2c1c(=O)n(CC)c(=O)n2C ZINC000013362668 395688544 /nfs/dbraw/zinc/68/85/44/395688544.db2.gz VWMKIKIOWWUSGC-UHFFFAOYSA-N 0 0 321.333 0.078 50 0 DCAARN O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccncc1 ZINC000013549151 395688626 /nfs/dbraw/zinc/68/86/26/395688626.db2.gz RUNVJIVPPKXPMS-UHFFFAOYSA-N 0 0 324.340 0.791 50 0 DCAARN Cc1c(CC(=O)N2CCOCC2)c(=O)oc2cc(O)cc(O)c12 ZINC000013627814 395688661 /nfs/dbraw/zinc/68/86/61/395688661.db2.gz AVNPESVRVSGPSX-UHFFFAOYSA-N 0 0 319.313 0.914 50 0 DCAARN O=C(NCCN1CCOCC1)C(=O)Nc1ccnc(Cl)c1 ZINC000013691949 395688782 /nfs/dbraw/zinc/68/87/82/395688782.db2.gz ZKUMSAVSOWAXJF-UHFFFAOYSA-N 0 0 312.757 0.122 50 0 DCAARN CN(C)S(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000013679540 395688818 /nfs/dbraw/zinc/68/88/18/395688818.db2.gz FWCRLVXBSUZTSO-UHFFFAOYSA-N 0 0 317.455 0.907 50 0 DCAARN C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)OCc3ccccc3)CN2C1=O ZINC000014746885 395689575 /nfs/dbraw/zinc/68/95/75/395689575.db2.gz AHPXTUDAERGHQB-WXHSDQCUSA-N 0 0 317.345 0.401 50 0 DCAARN O=c1nncc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]1 ZINC000019795422 395691125 /nfs/dbraw/zinc/69/11/25/395691125.db2.gz KFQNHADOTDRREQ-UHFFFAOYSA-N 0 0 315.333 0.216 50 0 DCAARN CCN1C(=O)C[C@@H](N2CCN(c3ccc(Cl)nn3)CC2)C1=O ZINC000019890271 395691133 /nfs/dbraw/zinc/69/11/33/395691133.db2.gz QJJCGFNYIJVRJX-SNVBAGLBSA-N 0 0 323.784 0.399 50 0 DCAARN COCCCNC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000020729587 395691350 /nfs/dbraw/zinc/69/13/50/395691350.db2.gz VIUGFGZMLBADOB-UHFFFAOYSA-N 0 0 318.381 0.493 50 0 DCAARN OCCN1CCN(c2nncc(-c3ccccc3F)n2)CC1 ZINC000020998008 395691527 /nfs/dbraw/zinc/69/15/27/395691527.db2.gz UPNYDNGPDMPKHX-UHFFFAOYSA-N 0 0 303.341 0.792 50 0 DCAARN CC(C)(C)NC(=O)CN1CCN(c2ncccc2C(N)=O)CC1 ZINC000024054141 395692697 /nfs/dbraw/zinc/69/26/97/395692697.db2.gz NOZJOCJREKOKDH-UHFFFAOYSA-N 0 0 319.409 0.217 50 0 DCAARN O=c1[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2s1 ZINC000000103948 395679870 /nfs/dbraw/zinc/67/98/70/395679870.db2.gz SYOAHCVIHIKOIP-UHFFFAOYSA-N 0 0 300.361 0.611 50 0 DCAARN NC(=O)CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1 ZINC000000387221 395680269 /nfs/dbraw/zinc/68/02/69/395680269.db2.gz NKCZDRXBLFMWCM-UHFFFAOYSA-N 0 0 301.331 0.686 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCCC1=CCCCC1 ZINC000000423260 395680391 /nfs/dbraw/zinc/68/03/91/395680391.db2.gz PJNFVMDRUCKBDQ-UHFFFAOYSA-N 0 0 313.379 0.540 50 0 DCAARN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(N)=O ZINC000000611341 395680564 /nfs/dbraw/zinc/68/05/64/395680564.db2.gz GNBXNWCCLAAINE-ZCFIWIBFSA-N 0 0 307.169 0.601 50 0 DCAARN CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)Nc1ccccc1 ZINC000000528469 395680601 /nfs/dbraw/zinc/68/06/01/395680601.db2.gz VLESEFXDRIVONG-GFCCVEGCSA-N 0 0 305.334 0.972 50 0 DCAARN O=S(=O)(c1ccc(Cl)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000001039705 395680614 /nfs/dbraw/zinc/68/06/14/395680614.db2.gz VIPUHMWJPZSJME-VHSXEESVSA-N 0 0 310.780 0.272 50 0 DCAARN Nn1c(SCC(=O)N2CCOCC2)nnc1-c1cccnc1 ZINC000001291479 395680800 /nfs/dbraw/zinc/68/08/00/395680800.db2.gz XKXSIXXJIVCAOI-UHFFFAOYSA-N 0 0 320.378 0.005 50 0 DCAARN COCCn1c(N2CCC[C@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000001863044 395681300 /nfs/dbraw/zinc/68/13/00/395681300.db2.gz XBMHTMUTTNWHGK-JTQLQIEISA-N 0 0 321.381 0.306 50 0 DCAARN CCOC(=O)CC[C@@H](NC(=O)c1cncc(O)c1)C(=O)OCC ZINC000002267946 395681445 /nfs/dbraw/zinc/68/14/45/395681445.db2.gz CSNTWDPAZCYDKX-GFCCVEGCSA-N 0 0 324.333 0.792 50 0 biogenic DCAARN COCCN(CCOC)S(=O)(=O)c1ccc(OC)cc1 ZINC000002419649 395681505 /nfs/dbraw/zinc/68/15/05/395681505.db2.gz IGYSTBJKKCGQAZ-UHFFFAOYSA-N 0 0 303.380 0.979 50 0 DCAARN Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1O ZINC000002636601 395681722 /nfs/dbraw/zinc/68/17/22/395681722.db2.gz FYKKUFZSXSJFQW-UHFFFAOYSA-N 0 0 302.286 0.844 50 0 DCAARN Cc1c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cnn1C ZINC000002808116 395681888 /nfs/dbraw/zinc/68/18/88/395681888.db2.gz FQYBUKJFOFGFOQ-JTQLQIEISA-N 0 0 300.384 0.339 50 0 DCAARN O=C(CCSCCC(=O)N1CCOCC1)N1CCOCC1 ZINC000002819531 395681919 /nfs/dbraw/zinc/68/19/19/395681919.db2.gz GUDAEMYNNMKIES-UHFFFAOYSA-N 0 0 316.423 0.217 50 0 DCAARN Cc1nn(C)cc1CNC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000002788014 395681937 /nfs/dbraw/zinc/68/19/37/395681937.db2.gz NEJBSTKUDORULV-UHFFFAOYSA-N 0 0 311.349 0.698 50 0 DCAARN CSCC[C@@H]1C(=O)N(N)[C@@]2(C)CC(C)(C)NC(=S)N12 ZINC000002927903 395682148 /nfs/dbraw/zinc/68/21/48/395682148.db2.gz PGHZXVVGWZXWKS-PELKAZGASA-N 0 0 302.469 0.899 50 0 DCAARN Cn1c(N)c(C(=O)CSc2ccccc2F)c(=O)n(C)c1=O ZINC000003473782 395682419 /nfs/dbraw/zinc/68/24/19/395682419.db2.gz GZPPTRAXAHXHNJ-UHFFFAOYSA-N 0 0 323.349 0.780 50 0 DCAARN O=C(COC(=O)Cn1cnnn1)N[C@H]1CCCc2ccccc21 ZINC000007036344 395683153 /nfs/dbraw/zinc/68/31/53/395683153.db2.gz XDTFNXVRHJQEQJ-ZDUSSCGKSA-N 0 0 315.333 0.410 50 0 DCAARN C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1Cc2ccccc2C1=O ZINC000085432557 395700332 /nfs/dbraw/zinc/70/03/32/395700332.db2.gz ODOXBLGVCISOFR-ZYHUDNBSSA-N 0 0 322.386 0.334 50 0 DCAARN O=S(=O)(c1cccs1)N1CCN(C[C@H](O)C2CC2)CC1 ZINC000085466988 395700866 /nfs/dbraw/zinc/70/08/66/395700866.db2.gz LCQDTENRUHGVGS-LBPRGKRZSA-N 0 0 316.448 0.825 50 0 DCAARN CC[C@H]1CCCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000030144089 395702031 /nfs/dbraw/zinc/70/20/31/395702031.db2.gz WDXLMZPGTSUMLI-JTQLQIEISA-N 0 0 320.393 0.758 50 0 DCAARN Cc1csc(N2CCN(C(=O)[C@@H](C)n3cncn3)CC2)n1 ZINC000030701870 395703977 /nfs/dbraw/zinc/70/39/77/395703977.db2.gz AOMUSLDOHRDNAZ-LLVKDONJSA-N 0 0 306.395 0.953 50 0 DCAARN Cc1nccn1CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000030697755 395703997 /nfs/dbraw/zinc/70/39/97/395703997.db2.gz NWJCTMGOTWNIIE-UHFFFAOYSA-N 0 0 319.365 0.723 50 0 DCAARN CC(=O)c1c(C)[nH]c(C(=O)NCCCNS(C)(=O)=O)c1C ZINC000031216728 395705650 /nfs/dbraw/zinc/70/56/50/395705650.db2.gz UNPXZLOYKIYJKM-UHFFFAOYSA-N 0 0 315.395 0.503 50 0 DCAARN CN(C)c1cc(CNC(=O)N2CCC(C(N)=O)CC2)ccn1 ZINC000089323002 395710035 /nfs/dbraw/zinc/71/00/35/395710035.db2.gz VVWOOXJMMYNAPQ-UHFFFAOYSA-N 0 0 305.382 0.555 50 0 DCAARN C[C@@H]1C[C@H]1CNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000032390186 395710785 /nfs/dbraw/zinc/71/07/85/395710785.db2.gz WRXWFVUPIRNOOL-PWSUYJOCSA-N 0 0 315.381 0.508 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccnc2)C1 ZINC000032497802 395711091 /nfs/dbraw/zinc/71/10/91/395711091.db2.gz KYJGUJUELAJCBY-LLVKDONJSA-N 0 0 312.395 0.539 50 0 DCAARN COCc1ccc(C(=O)NCCCN2CCNC(=O)C2)cc1 ZINC000089420325 395711237 /nfs/dbraw/zinc/71/12/37/395711237.db2.gz DVRNNWYAGBKDFW-UHFFFAOYSA-N 0 0 305.378 0.385 50 0 DCAARN Cc1nc(CCNC(=O)[C@H]2CC(=O)OC23CCCC3)cc(=O)[nH]1 ZINC000032580944 395711439 /nfs/dbraw/zinc/71/14/39/395711439.db2.gz RCSMAICQVWJFHP-GFCCVEGCSA-N 0 0 319.361 0.613 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)o1 ZINC000032633730 395712034 /nfs/dbraw/zinc/71/20/34/395712034.db2.gz AMPWKOXYPRUENI-RKDXNWHRSA-N 0 0 302.352 0.437 50 0 DCAARN CCOCCCNC(=O)C1=NN(c2ccccc2)C(=O)CN1 ZINC000032659370 395712267 /nfs/dbraw/zinc/71/22/67/395712267.db2.gz OLOMXRFSNVKLDT-UHFFFAOYSA-N 0 0 304.350 0.479 50 0 DCAARN Nc1ccccc1C1=NN[C@]2(CC(c3ccco3)=NN2)C(=O)N1 ZINC000032815344 395713691 /nfs/dbraw/zinc/71/36/91/395713691.db2.gz UJRMZCPFGRZORA-OAHLLOKOSA-N 0 0 310.317 0.337 50 0 DCAARN CN(C)S(=O)(=O)c1c[nH]c(C(=O)Nc2nccs2)c1 ZINC000032914084 395714073 /nfs/dbraw/zinc/71/40/73/395714073.db2.gz GVQDXFDYZLQVQW-UHFFFAOYSA-N 0 0 300.365 0.974 50 0 DCAARN COC(=O)COc1cccc(NC(=O)c2nccnc2N)c1 ZINC000032830640 395714093 /nfs/dbraw/zinc/71/40/93/395714093.db2.gz USDDXYFXRDEAND-UHFFFAOYSA-N 0 0 302.290 0.863 50 0 DCAARN CCNC(=O)C(=O)NCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000032891554 395714216 /nfs/dbraw/zinc/71/42/16/395714216.db2.gz IFIIUHRNWLTJLA-UHFFFAOYSA-N 0 0 321.333 0.039 50 0 DCAARN CCc1nc(CS(=O)(=O)[C@@H](C)C(=O)NCCOC)cs1 ZINC000032929958 395714553 /nfs/dbraw/zinc/71/45/53/395714553.db2.gz JIMKTODVOQVQRI-VIFPVBQESA-N 0 0 320.436 0.771 50 0 DCAARN NC(=O)NC[C@H]1CCCN(CC(=O)NCc2ccccc2F)C1 ZINC000032935670 395715145 /nfs/dbraw/zinc/71/51/45/395715145.db2.gz SRZJJDKEPCGFAC-GFCCVEGCSA-N 0 0 322.384 0.822 50 0 DCAARN NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-n3cncn3)nc2)C1 ZINC000033008163 395715586 /nfs/dbraw/zinc/71/55/86/395715586.db2.gz TYQNXNLNTBXOGR-SNVBAGLBSA-N 0 0 315.337 0.392 50 0 DCAARN COC(=O)c1sccc1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000035163783 395719333 /nfs/dbraw/zinc/71/93/33/395719333.db2.gz NDYAXSOTGSIJQK-ZETCQYMHSA-N 0 0 303.361 0.908 50 0 DCAARN CCN1CCN(C(=O)Cn2cnc3oc(C)c(C)c3c2=O)CC1 ZINC000035378358 395720045 /nfs/dbraw/zinc/72/00/45/395720045.db2.gz XNPTYTAWWKBUNL-UHFFFAOYSA-N 0 0 318.377 0.770 50 0 DCAARN COC[C@H](C)NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000035598207 395720927 /nfs/dbraw/zinc/72/09/27/395720927.db2.gz JLGIZOBHSWTTLM-GWCFXTLKSA-N 0 0 319.361 0.668 50 0 DCAARN O=C1O[C@@H](Cc2ccncc2)C(=O)C1=C1N[C@@H]2CCCC[C@@H]2N1 ZINC000036123174 395722478 /nfs/dbraw/zinc/72/24/78/395722478.db2.gz NYVRXECIVKHKEI-XQQFMLRXSA-N 0 0 313.357 0.834 50 0 DCAARN COc1ccccc1CNC(=O)[C@H](C)N1CCN(C(C)=O)CC1 ZINC000036390071 395723417 /nfs/dbraw/zinc/72/34/17/395723417.db2.gz VVBFWDGYBFSSJC-ZDUSSCGKSA-N 0 0 319.405 0.864 50 0 DCAARN NC(=O)C1CCN(C(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000028405582 395696054 /nfs/dbraw/zinc/69/60/54/395696054.db2.gz XSYHWIDLAGIKDC-CYBMUJFWSA-N 0 0 303.362 0.897 50 0 DCAARN O=C(c1cnn2cccnc12)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000084614906 395698370 /nfs/dbraw/zinc/69/83/70/395698370.db2.gz NVERGPBCQGIPSU-KGLIPLIRSA-N 0 0 315.377 0.401 50 0 DCAARN CC[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@H]1N1CCOCC1 ZINC000084735661 395698950 /nfs/dbraw/zinc/69/89/50/395698950.db2.gz BFKWUGSFDXXAGZ-CHWSQXEVSA-N 0 0 309.410 0.082 50 0 DCAARN CS(=O)(=O)N1CC[C@]2(C1)CCCN(C1CCOCC1)C2=O ZINC000091769581 395727421 /nfs/dbraw/zinc/72/74/21/395727421.db2.gz FKZALNXJIKXNQP-AWEZNQCLSA-N 0 0 316.423 0.440 50 0 DCAARN O=C(CN1CCSCC1)N1CCN(c2ccccn2)CC1 ZINC000040540657 395734087 /nfs/dbraw/zinc/73/40/87/395734087.db2.gz SKCQMZOQMKNNRD-UHFFFAOYSA-N 0 0 306.435 0.779 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)CN2CCSCC2)c2ccccc2O1 ZINC000040540649 395734395 /nfs/dbraw/zinc/73/43/95/395734395.db2.gz FBACFGNLNRGBPA-ZDUSSCGKSA-N 0 0 321.402 0.315 50 0 DCAARN CCc1nc(CN2CCC[C@@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)no1 ZINC000095402593 395740549 /nfs/dbraw/zinc/74/05/49/395740549.db2.gz QRTYIDNOGKTQPB-MEBBXXQBSA-N 0 0 321.381 0.784 50 0 DCAARN COCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000096181761 395747500 /nfs/dbraw/zinc/74/75/00/395747500.db2.gz QYTDEPOKOXXABA-LSDHHAIUSA-N 0 0 324.352 0.877 50 0 DCAARN Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)o1 ZINC000096192245 395748514 /nfs/dbraw/zinc/74/85/14/395748514.db2.gz CVCMHYPBPMEZRO-NSHDSACASA-N 0 0 302.334 0.991 50 0 DCAARN O=C(NCCNC(=O)c1cccnc1)c1n[nH]c2c1CCCC2 ZINC000096132357 395745811 /nfs/dbraw/zinc/74/58/11/395745811.db2.gz CFUWDLJTVOHHFQ-UHFFFAOYSA-N 0 0 313.361 0.843 50 0 DCAARN C[C@@H](Cn1cncn1)NC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000096140815 395746104 /nfs/dbraw/zinc/74/61/04/395746104.db2.gz LDFADTKFOGXUDZ-JTQLQIEISA-N 0 0 323.378 0.892 50 0 DCAARN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1ccn[nH]1 ZINC000096410222 395752761 /nfs/dbraw/zinc/75/27/61/395752761.db2.gz RPMVROJFYWMLMX-ZDUSSCGKSA-N 0 0 314.393 0.745 50 0 DCAARN Cn1ccnc1N1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 ZINC000096426906 395753344 /nfs/dbraw/zinc/75/33/44/395753344.db2.gz DFEAWLSFTIRMLC-UHFFFAOYSA-N 0 0 307.398 0.231 50 0 DCAARN Cc1cc(S(=O)(=O)N[C@H]2CCN(C)C2=O)c(F)cc1F ZINC000096460844 395753684 /nfs/dbraw/zinc/75/36/84/395753684.db2.gz QWUAUTUKKPHZPR-JTQLQIEISA-N 0 0 304.318 0.782 50 0 DCAARN CNS(=O)(=O)CC(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000096487338 395753773 /nfs/dbraw/zinc/75/37/73/395753773.db2.gz RZHNJQWSJPWUMD-UHFFFAOYSA-N 0 0 300.424 0.724 50 0 DCAARN Cc1cc(F)c(S(=O)(=O)N[C@H]2CC(=O)N(C)C2)cc1F ZINC000096475477 395754016 /nfs/dbraw/zinc/75/40/16/395754016.db2.gz DKYSXBMBOAHNPR-QMMMGPOBSA-N 0 0 304.318 0.782 50 0 DCAARN CN1CC[C@H](C(=O)N2CCN(c3ccccn3)CC2)CC1=O ZINC000044293738 395755812 /nfs/dbraw/zinc/75/58/12/395755812.db2.gz YORZONRBYKSBRV-ZDUSSCGKSA-N 0 0 302.378 0.599 50 0 DCAARN Cc1cc(C)n(C[C@@H]2CN(C[C@@H](O)Cn3cccn3)CCO2)n1 ZINC000106667368 395783786 /nfs/dbraw/zinc/78/37/86/395783786.db2.gz QLYQXQGVVKPKLK-CVEARBPZSA-N 0 0 319.409 0.458 50 0 DCAARN CC(=O)N1CCC[C@H]1C(=O)NC1CCN(c2ncccn2)CC1 ZINC000047118820 395787651 /nfs/dbraw/zinc/78/76/51/395787651.db2.gz XYQBPYFKYPBLQT-AWEZNQCLSA-N 0 0 317.393 0.573 50 0 DCAARN CN(C)C(=O)N1CCN(CCOCc2ccccc2)C[C@@H](O)C1 ZINC000097610262 395759109 /nfs/dbraw/zinc/75/91/09/395759109.db2.gz HTWAUZLJANIZKK-MRXNPFEDSA-N 0 0 321.421 0.863 50 0 DCAARN Cc1nc(N2CCN(Cc3cc(C4CC4)n[nH]3)C[C@H](O)C2)no1 ZINC000097674114 395759583 /nfs/dbraw/zinc/75/95/83/395759583.db2.gz PTZDLYNVJODBCH-ZDUSSCGKSA-N 0 0 318.381 0.662 50 0 DCAARN Cc1cc2cccc(C(=O)N3CCN(CCO)C[C@H](O)C3)c2o1 ZINC000097655601 395759761 /nfs/dbraw/zinc/75/97/61/395759761.db2.gz JQVKUWMXHRZNHC-AWEZNQCLSA-N 0 0 318.373 0.852 50 0 DCAARN Cn1c2ccccc2nc(C(=O)N[C@H]2CCCCNC2=O)c1=O ZINC000097641848 395759923 /nfs/dbraw/zinc/75/99/23/395759923.db2.gz ZGWBHWUFTDFZCC-NSHDSACASA-N 0 0 314.345 0.332 50 0 DCAARN C[C@H](O)c1nc(C2CCOCC2)nn1-c1ccc2nncn2n1 ZINC000097757986 395760481 /nfs/dbraw/zinc/76/04/81/395760481.db2.gz NMWQSCNCZPIEQU-VIFPVBQESA-N 0 0 315.337 0.652 50 0 DCAARN Cn1nc2n(c1=O)C[C@@H](c1nnc(C3CCOCC3)[nH]1)CC2 ZINC000097805701 395760983 /nfs/dbraw/zinc/76/09/83/395760983.db2.gz LZKVLQWQXXZTMC-JTQLQIEISA-N 0 0 304.354 0.324 50 0 DCAARN CC(=O)N1CCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000045118681 395761441 /nfs/dbraw/zinc/76/14/41/395761441.db2.gz WCGAOSJGWLARIS-CQSZACIVSA-N 0 0 317.393 0.384 50 0 DCAARN Cn1c2[nH]c(=S)n(CC(=O)c3ccccc3)c2c(=O)[nH]c1=O ZINC000100533313 395763208 /nfs/dbraw/zinc/76/32/08/395763208.db2.gz CMJTZINTNMPINW-UHFFFAOYSA-N 0 0 316.342 0.595 50 0 DCAARN CCOc1ccc(N2C(=O)C[C@H](N[C@H](C)C(=O)OC)C2=O)cc1 ZINC000100748149 395763657 /nfs/dbraw/zinc/76/36/57/395763657.db2.gz QVJPQDCDNXREIF-MFKMUULPSA-N 0 0 320.345 0.868 50 0 biogenic DCAARN COc1ncccc1CNC(=O)NCCNC(=O)c1ccco1 ZINC000045662080 395764530 /nfs/dbraw/zinc/76/45/30/395764530.db2.gz KHOSUNKPHBKYAC-UHFFFAOYSA-N 0 0 318.333 0.912 50 0 DCAARN Cn1ncc2c1ncnc2N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000045802088 395766350 /nfs/dbraw/zinc/76/63/50/395766350.db2.gz SXGUVFNXFKJQLK-SNVBAGLBSA-N 0 0 324.410 0.271 50 0 DCAARN Cc1cc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)n[nH]1 ZINC000047232143 395789255 /nfs/dbraw/zinc/78/92/55/395789255.db2.gz IVHJZZJVCWZRAQ-UHFFFAOYSA-N 0 0 313.317 0.750 50 0 DCAARN Cc1cc(C)n(CCNC(=O)c2c[nH]c3cc(C)nn3c2=O)n1 ZINC000102424227 395770250 /nfs/dbraw/zinc/77/02/50/395770250.db2.gz SUWGGKBYZUJXNY-UHFFFAOYSA-N 0 0 314.349 0.574 50 0 DCAARN CN1N=C(C(=O)NCc2nncn2-c2ccccc2)CCC1=O ZINC000047930567 395803131 /nfs/dbraw/zinc/80/31/31/395803131.db2.gz HKQRTGQUYUQFIK-UHFFFAOYSA-N 0 0 312.333 0.492 50 0 DCAARN Cc1csc(N2CCN(C(=O)CN3CCCC3=O)CC2)n1 ZINC000048166015 395809487 /nfs/dbraw/zinc/80/94/87/395809487.db2.gz UYSVJZGQVVZXOB-UHFFFAOYSA-N 0 0 308.407 0.723 50 0 DCAARN C[C@H](CNC(=O)NCc1cccnc1N(C)C)N1CCOCC1 ZINC000048251506 395811310 /nfs/dbraw/zinc/81/13/10/395811310.db2.gz CFVSTVOZSZIOLP-CYBMUJFWSA-N 0 0 321.425 0.668 50 0 DCAARN COc1ncccc1-c1cnn(CC(=O)Nc2cn(C)nn2)c1 ZINC000048436120 395815829 /nfs/dbraw/zinc/81/58/29/395815829.db2.gz JAQXFONIAUVJRQ-UHFFFAOYSA-N 0 0 313.321 0.721 50 0 DCAARN CN(C)c1cncc(O[C@H]2CCN(C(=O)N3CCNC3=O)C2)n1 ZINC000225407120 395859711 /nfs/dbraw/zinc/85/97/11/395859711.db2.gz AXGMXVWNFNASCR-JTQLQIEISA-N 0 0 320.353 0.141 50 0 DCAARN CN(C)c1nccnc1O[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000225507235 395861475 /nfs/dbraw/zinc/86/14/75/395861475.db2.gz WKFRGROUPOKOGH-SNVBAGLBSA-N 0 0 300.384 0.345 50 0 DCAARN Cc1oncc1C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217734405 395840745 /nfs/dbraw/zinc/84/07/45/395840745.db2.gz BSSCFSJFUBFADH-RYUDHWBXSA-N 0 0 315.329 0.759 50 0 DCAARN CCO[C@H]1CN(C(=O)c2ccccc2-c2nc[nH]n2)C[C@@H]1O ZINC000218981453 395844067 /nfs/dbraw/zinc/84/40/67/395844067.db2.gz TZRCBJNIBBZUIS-STQMWFEESA-N 0 0 302.334 0.694 50 0 DCAARN O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1cn[nH]c1 ZINC000219101177 395844797 /nfs/dbraw/zinc/84/47/97/395844797.db2.gz ZQYIOGMNDXCHSI-NEPJUHHUSA-N 0 0 308.363 0.970 50 0 DCAARN O=C(NCc1csc(N2CCOCC2)n1)c1cnccn1 ZINC000219544345 395845598 /nfs/dbraw/zinc/84/55/98/395845598.db2.gz JYXXEAFRELTDAP-UHFFFAOYSA-N 0 0 305.363 0.700 50 0 DCAARN NC(=O)CCC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 ZINC000220203949 395848054 /nfs/dbraw/zinc/84/80/54/395848054.db2.gz VHYKHGIEELOBPN-ZIAGYGMSSA-N 0 0 306.362 0.742 50 0 DCAARN O=C(CCn1cnnn1)N1CCC[C@@H](OCc2cccnc2)C1 ZINC000221365561 395850084 /nfs/dbraw/zinc/85/00/84/395850084.db2.gz WSXGCJDQXNSBDP-CQSZACIVSA-N 0 0 316.365 0.666 50 0 DCAARN O=C(CN1CCOCC1)NCCc1noc(-c2ccccc2)n1 ZINC000221272813 395850339 /nfs/dbraw/zinc/85/03/39/395850339.db2.gz ZSTIUINNDYQCFI-UHFFFAOYSA-N 0 0 316.361 0.728 50 0 DCAARN O=C(/C=C\c1ccccn1)N1CCC2(CC1)NC(=O)NC2=O ZINC000222120469 395851868 /nfs/dbraw/zinc/85/18/68/395851868.db2.gz ZMCVIFKQBCDCIG-PLNGDYQASA-N 0 0 300.318 0.295 50 0 DCAARN O=C(N[C@@H]1CCCN(c2ncccn2)C1)C(=O)N1CCCC1 ZINC000223679250 395855632 /nfs/dbraw/zinc/85/56/32/395855632.db2.gz XUBSCDCMPIVUBW-GFCCVEGCSA-N 0 0 303.366 0.184 50 0 DCAARN NC(=O)CCNC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000194345724 395794261 /nfs/dbraw/zinc/79/42/61/395794261.db2.gz CATDKCMVYVMLFR-SNVBAGLBSA-N 0 0 313.151 0.744 50 0 DCAARN O=C(c1ccc(-n2ccnn2)cc1)N1CCOC[C@@]12CCOC2 ZINC000194407581 395796561 /nfs/dbraw/zinc/79/65/61/395796561.db2.gz YPKVSUTUDMBRBM-INIZCTEOSA-N 0 0 314.345 0.899 50 0 DCAARN O=C(NCCNc1ncccn1)c1ccnc(-n2cncn2)c1 ZINC000053808082 395889771 /nfs/dbraw/zinc/88/97/71/395889771.db2.gz GBQYNKFGRZQVGA-UHFFFAOYSA-N 0 0 310.321 0.294 50 0 DCAARN O=C(NCCCn1cccn1)N1CCCN(C(=O)C2CC2)CC1 ZINC000123371465 395893826 /nfs/dbraw/zinc/89/38/26/395893826.db2.gz BGXCKMAXGCZRBP-UHFFFAOYSA-N 0 0 319.409 0.927 50 0 DCAARN CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C(N)=O)c2ccccc2)C1 ZINC000055209608 395913849 /nfs/dbraw/zinc/91/38/49/395913849.db2.gz ARGLMOCWHTUFEO-ZIAGYGMSSA-N 0 0 303.362 0.588 50 0 DCAARN COc1cncc([C@H](NC(=O)c2nnc[nH]2)[C@H]2C[C@H](O)C2)c1 ZINC000244795237 395925519 /nfs/dbraw/zinc/92/55/19/395925519.db2.gz RCBMWRXDNJJYCC-HLUHBDAQSA-N 0 0 303.322 0.450 50 0 DCAARN Cn1nc(CO)c2c1CCN(CC(=O)NCC1CCCCC1)C2 ZINC000244872988 395925859 /nfs/dbraw/zinc/92/58/59/395925859.db2.gz WHZJPHCHGYLNKA-UHFFFAOYSA-N 0 0 320.437 0.967 50 0 DCAARN COc1ccc(NC(=O)c2cc(N3CCOCC3)ncn2)cn1 ZINC000244970157 395926541 /nfs/dbraw/zinc/92/65/41/395926541.db2.gz HMEUSUVCPAKKKO-UHFFFAOYSA-N 0 0 315.333 0.969 50 0 DCAARN NC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)CCc1cccs1 ZINC000225520439 395861862 /nfs/dbraw/zinc/86/18/62/395861862.db2.gz REGNNKSJYGKFIP-MNOVXSKESA-N 0 0 302.421 0.864 50 0 DCAARN Cc1cc(NC(=O)C(=O)NCC2(O)Cc3ccccc3C2)no1 ZINC000225717003 395863072 /nfs/dbraw/zinc/86/30/72/395863072.db2.gz HSYFOROEQJLEPL-UHFFFAOYSA-N 0 0 315.329 0.568 50 0 DCAARN Cc1cc(N2CC[C@@H](C(N)=O)C2)n2nc(C(F)(F)F)nc2n1 ZINC000052393903 395863443 /nfs/dbraw/zinc/86/34/43/395863443.db2.gz MIZCGUSNRAZDIY-SSDOTTSWSA-N 0 0 314.271 0.763 50 0 DCAARN CCS(=O)(=O)N(CC(=O)OC)c1ccc2c(c1)OCCO2 ZINC000226088702 395865087 /nfs/dbraw/zinc/86/50/87/395865087.db2.gz UJTNCMQURUWXFF-UHFFFAOYSA-N 0 0 315.347 0.787 50 0 DCAARN C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2CCNC(=O)C2)C[C@H](C)O1 ZINC000119230259 395867873 /nfs/dbraw/zinc/86/78/73/395867873.db2.gz OXVCBCGUTDQNRF-FRRDWIJNSA-N 0 0 311.426 0.517 50 0 DCAARN COc1cccc([C@H]2CCCN2C(=O)CN(C)CC(N)=O)c1 ZINC000052831849 395871083 /nfs/dbraw/zinc/87/10/83/395871083.db2.gz MOFYXQMHSRNYBF-CQSZACIVSA-N 0 0 305.378 0.776 50 0 DCAARN Cc1cc(C)n(C[C@H]2CN(C[C@@H](O)Cn3cccn3)CCO2)n1 ZINC000229534915 395874627 /nfs/dbraw/zinc/87/46/27/395874627.db2.gz QLYQXQGVVKPKLK-HZPDHXFCSA-N 0 0 319.409 0.458 50 0 DCAARN O[C@H](CN1CCO[C@@H](Cn2cncn2)C1)c1ccccc1F ZINC000229498823 395874800 /nfs/dbraw/zinc/87/48/00/395874800.db2.gz IHULNDNOFACIOP-IUODEOHRSA-N 0 0 306.341 0.852 50 0 DCAARN COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000229841836 395876424 /nfs/dbraw/zinc/87/64/24/395876424.db2.gz COWAKUPMGRTIFD-HZPDHXFCSA-N 0 0 322.453 0.753 50 0 DCAARN CC(=O)NCCNC(=O)N(C)Cc1ccc2c(c1)OCCO2 ZINC000053527298 395885503 /nfs/dbraw/zinc/88/55/03/395885503.db2.gz CCYMDHYHHASZHJ-UHFFFAOYSA-N 0 0 307.350 0.735 50 0 DCAARN CC(C)[C@H](NC(=O)NCc1ccc(C(=O)N(C)C)cc1)C(N)=O ZINC000134640167 395933487 /nfs/dbraw/zinc/93/34/87/395933487.db2.gz HNFWVXJQZXEXOZ-ZDUSSCGKSA-N 0 0 320.393 0.698 50 0 DCAARN NC(=O)[C@@]1(O)CCN(C(=O)c2cc3ccccc3cc2O)C1 ZINC000276455108 395999042 /nfs/dbraw/zinc/99/90/42/395999042.db2.gz HNKCUTVESKIDJD-MRXNPFEDSA-N 0 0 300.314 0.608 50 0 DCAARN COc1ccnc(N2CCN(C(=O)[C@H](C)n3cccn3)CC2)n1 ZINC000057254059 395941806 /nfs/dbraw/zinc/94/18/06/395941806.db2.gz LWVFPDFRLORVDP-LBPRGKRZSA-N 0 0 316.365 0.592 50 0 DCAARN Cn1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000058167755 395951611 /nfs/dbraw/zinc/95/16/11/395951611.db2.gz BRKQQAAFJDZAOO-UHFFFAOYSA-N 0 0 307.379 0.326 50 0 DCAARN CCNC(=O)NC(=O)CN(CCC(=O)OC)Cc1ccccc1 ZINC000058369202 395953291 /nfs/dbraw/zinc/95/32/91/395953291.db2.gz PICWLPXKKWXCQG-UHFFFAOYSA-N 0 0 321.377 0.897 50 0 DCAARN O=C(CN1CCOc2ccccc21)N[C@H]1CCCCNC1=O ZINC000058420593 395953349 /nfs/dbraw/zinc/95/33/49/395953349.db2.gz YRSWQGGBIBLHTL-LBPRGKRZSA-N 0 0 303.362 0.670 50 0 DCAARN COCCNC(=O)c1ccc2c(c1)n(C)c(=O)c1ccnn12 ZINC000065270556 395992521 /nfs/dbraw/zinc/99/25/21/395992521.db2.gz BFPSTVXVWHSDPP-UHFFFAOYSA-N 0 0 300.318 0.562 50 0 DCAARN Cn1cnnc1[C@@H]1CCCN(c2ncnc3c2CN(C)CC3)C1 ZINC000065475865 395994627 /nfs/dbraw/zinc/99/46/27/395994627.db2.gz ZTLAPFYSEDSHAR-GFCCVEGCSA-N 0 0 313.409 0.977 50 0 DCAARN Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)Cc2cccnc2)C1 ZINC000252535808 396022354 /nfs/dbraw/zinc/02/23/54/396022354.db2.gz GXLUTQHKCDUNQS-HAQNSBGRSA-N 0 0 301.350 0.307 50 0 DCAARN CCn1nc(CO)c2c1CCN([C@@H](C)C(=O)N1CCCC1)C2 ZINC000252509845 396022702 /nfs/dbraw/zinc/02/27/02/396022702.db2.gz YWRGWUCJTFURGL-LBPRGKRZSA-N 0 0 306.410 0.764 50 0 DCAARN CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)C3CCOCC3)C2)n1C ZINC000252548765 396023135 /nfs/dbraw/zinc/02/31/35/396023135.db2.gz QKJAUOLDQSQHNZ-BETUJISGSA-N 0 0 321.425 0.666 50 0 DCAARN CC[C@@H](C)[C@H](CO)NC(=O)C1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000252540372 396023389 /nfs/dbraw/zinc/02/33/89/396023389.db2.gz PFIKDERFBTVWIA-YPMHNXCESA-N 0 0 322.409 0.922 50 0 DCAARN CC(C)[C@H](CO)NC(=O)C[C@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000252570395 396023555 /nfs/dbraw/zinc/02/35/55/396023555.db2.gz WQMDIRUSFSYXDT-NEPJUHHUSA-N 0 0 323.349 0.428 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1COC ZINC000253414722 396027687 /nfs/dbraw/zinc/02/76/87/396027687.db2.gz YJIVOOZPKPFEDM-NWDGAFQWSA-N 0 0 307.350 0.171 50 0 DCAARN C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H](c2ccsc2)O1 ZINC000253432343 396028553 /nfs/dbraw/zinc/02/85/53/396028553.db2.gz ZLAFTULWNNHREI-YPMHNXCESA-N 0 0 324.402 0.895 50 0 DCAARN CNC(=O)[C@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000067620789 396029257 /nfs/dbraw/zinc/02/92/57/396029257.db2.gz YNAZUZFEMQEMDU-VIFPVBQESA-N 0 0 316.379 0.604 50 0 DCAARN CC(=O)N1CCN(CC(=O)N=c2[nH]c3ccccc3[nH]2)CC1 ZINC000067654252 396030109 /nfs/dbraw/zinc/03/01/09/396030109.db2.gz XGNGLTFWBWCGBF-UHFFFAOYSA-N 0 0 301.350 0.087 50 0 DCAARN Cn1ccnc1CN1CCC[C@H](CCNS(C)(=O)=O)C1 ZINC000067673671 396031060 /nfs/dbraw/zinc/03/10/60/396031060.db2.gz HIJFBXQEOSOCOY-GFCCVEGCSA-N 0 0 300.428 0.571 50 0 DCAARN COc1ccc(C(=O)N=c2sccn2C)cc1-n1cnnn1 ZINC000254301651 396031568 /nfs/dbraw/zinc/03/15/68/396031568.db2.gz ADVLYDLDSJOXCI-UHFFFAOYSA-N 0 0 316.346 0.812 50 0 DCAARN Cc1[nH]c(=S)sc1CC(=O)NC[C@H]1CCCS1(=O)=O ZINC000154220502 396034544 /nfs/dbraw/zinc/03/45/44/396034544.db2.gz XYLCWSUNXHMFKB-MRVPVSSYSA-N 0 0 320.461 0.976 50 0 DCAARN COC[C@@H]1CN(C(=O)c2cccc(OC)c2C)C[C@H]1C(N)=O ZINC000257195961 396035920 /nfs/dbraw/zinc/03/59/20/396035920.db2.gz XFQJYHGGRVEUHK-WCQYABFASA-N 0 0 306.362 0.824 50 0 DCAARN COc1ccc(C(=O)NCC[C@@H]2CN(C)CCO2)c(OC)n1 ZINC000067856021 396036182 /nfs/dbraw/zinc/03/61/82/396036182.db2.gz SGCWOYSGIFBUHP-LLVKDONJSA-N 0 0 309.366 0.549 50 0 DCAARN CCOC(=O)N1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000068049038 396043888 /nfs/dbraw/zinc/04/38/88/396043888.db2.gz ZBWAHTPERBCCLL-KGLIPLIRSA-N 0 0 316.398 0.317 50 0 DCAARN CCn1ccnc1CN1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000257366163 396046734 /nfs/dbraw/zinc/04/67/34/396046734.db2.gz LYXQXWBKSXYBJK-ABAIWWIYSA-N 0 0 305.382 0.713 50 0 DCAARN CC(=O)N1CCN([C@@H]2CN([C@H](C)c3nc(C)no3)C[C@H]2C)CC1 ZINC000257366475 396046748 /nfs/dbraw/zinc/04/67/48/396046748.db2.gz ZZLMRJKDPZXNCX-LALPHHSUSA-N 0 0 321.425 0.923 50 0 DCAARN Cc1nnc(CNC(=O)c2ccnc(O[C@H]3CCOC3)c2)o1 ZINC000252485355 396021022 /nfs/dbraw/zinc/02/10/22/396021022.db2.gz GSAIHTMZUWTHGN-NSHDSACASA-N 0 0 304.306 0.871 50 0 DCAARN C[C@@H](NC(=O)N(C)CCn1cccn1)c1nnnn1C1CC1 ZINC000252495432 396021837 /nfs/dbraw/zinc/02/18/37/396021837.db2.gz OQEQYBZLGXZITC-SNVBAGLBSA-N 0 0 304.358 0.607 50 0 DCAARN O=C(CN1CCC[C@@H](Cn2cncn2)C1)Nc1nncs1 ZINC000069657834 396086163 /nfs/dbraw/zinc/08/61/63/396086163.db2.gz PATIJWRZRVOOBT-SNVBAGLBSA-N 0 0 307.383 0.480 50 0 DCAARN C[C@@H](O)CN1CCN(CC(=O)NCc2ccccc2F)CC1 ZINC000069652568 396086343 /nfs/dbraw/zinc/08/63/43/396086343.db2.gz YZBSBLDQJFFDEU-CYBMUJFWSA-N 0 0 309.385 0.440 50 0 DCAARN CCn1c(SC[C@H]2CCOCO2)nnc1N1CCOCC1 ZINC000069770583 396089716 /nfs/dbraw/zinc/08/97/16/396089716.db2.gz LEXPGUJHKRTXGJ-LLVKDONJSA-N 0 0 314.411 0.990 50 0 DCAARN COCc1ccccc1CNC(=O)CN1CCN(CCO)CC1 ZINC000069773429 396090341 /nfs/dbraw/zinc/09/03/41/396090341.db2.gz KQNMYDZGKVFVPH-UHFFFAOYSA-N 0 0 321.421 0.059 50 0 DCAARN Cc1ccc(CN(C)C(=O)CN2CCN(CCO)CC2)c(C)c1 ZINC000069773115 396090410 /nfs/dbraw/zinc/09/04/10/396090410.db2.gz SPPPFRBHASCZTH-UHFFFAOYSA-N 0 0 319.449 0.872 50 0 DCAARN Cc1nnc(NC(=O)CN2CCC[C@@H]2Cn2cncn2)s1 ZINC000069819613 396090882 /nfs/dbraw/zinc/09/08/82/396090882.db2.gz LJWAUUQCQPYCOI-SNVBAGLBSA-N 0 0 307.383 0.541 50 0 DCAARN Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(CC(C)(C)O)CC2)cn1 ZINC000069844770 396091833 /nfs/dbraw/zinc/09/18/33/396091833.db2.gz ZBRQCBHYTWMNIG-KGLIPLIRSA-N 0 0 306.410 0.439 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC000069870697 396092769 /nfs/dbraw/zinc/09/27/69/396092769.db2.gz AIWBBFSBVHPFLT-HNNXBMFYSA-N 0 0 305.422 0.643 50 0 DCAARN C[C@](O)(CCNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000170085585 396094306 /nfs/dbraw/zinc/09/43/06/396094306.db2.gz BTCKQHNULBYCQY-DOMZBBRYSA-N 0 0 311.403 0.835 50 0 DCAARN CC(C)(C)OC(=O)N1CC(CSc2nc(N)nc(N)n2)C1 ZINC000170601448 396095236 /nfs/dbraw/zinc/09/52/36/396095236.db2.gz SJEAENOZGWPQMO-UHFFFAOYSA-N 0 0 312.399 0.995 50 0 DCAARN C[C@@H]1CN(Cc2ncnn2C)C[C@@H](C)N1Cc1ncnn1C ZINC000170608611 396095471 /nfs/dbraw/zinc/09/54/71/396095471.db2.gz PKIGZNDOJPAPIR-VXGBXAGGSA-N 0 0 304.402 0.038 50 0 DCAARN CS(=O)(=O)CCN1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000070005605 396097057 /nfs/dbraw/zinc/09/70/57/396097057.db2.gz OAEOJJAMBCKMBQ-CYBMUJFWSA-N 0 0 300.424 0.532 50 0 DCAARN C[C@H](C(=O)NCc1ccco1)N1CCO[C@H](Cn2cncn2)C1 ZINC000069979561 396097346 /nfs/dbraw/zinc/09/73/46/396097346.db2.gz NYJDFEYAWNMADR-OCCSQVGLSA-N 0 0 319.365 0.277 50 0 DCAARN CCOC(=O)[C@H](C)N1CCC[C@H](C(=O)N(C)CCOC)C1 ZINC000069972362 396097393 /nfs/dbraw/zinc/09/73/93/396097393.db2.gz XWKCJHFLIQFWLJ-STQMWFEESA-N 0 0 300.399 0.755 50 0 DCAARN CN(Cc1nnnn1C1CC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000070040892 396099268 /nfs/dbraw/zinc/09/92/68/396099268.db2.gz XLFHYRNVGWOFLG-ZDUSSCGKSA-N 0 0 314.397 0.899 50 0 DCAARN COc1ccc(NC(=O)C(=O)NCC2(O)CCOCC2)cc1 ZINC000070638996 396102535 /nfs/dbraw/zinc/10/25/35/396102535.db2.gz DEJQIFKEIXWFJV-UHFFFAOYSA-N 0 0 308.334 0.291 50 0 DCAARN COc1ccc(/C=C2\CC(=O)N(C(N)=O)C2=O)c(OC)c1OC ZINC000070666293 396102739 /nfs/dbraw/zinc/10/27/39/396102739.db2.gz ROYFTCILNPBGGV-RMKNXTFCSA-N 0 0 320.301 0.933 50 0 biogenic DCAARN Ic1cnn(CCN2CCOCC2)c1 ZINC000070679537 396103568 /nfs/dbraw/zinc/10/35/68/396103568.db2.gz OFEXBLPGEKTFGY-UHFFFAOYSA-N 0 0 307.135 0.820 50 0 DCAARN Cc1cc(=O)c(O)c(CN2CCN(c3ncccn3)CC2)o1 ZINC000071282909 396111597 /nfs/dbraw/zinc/11/15/97/396111597.db2.gz AJPQZMNDOQJPLG-UHFFFAOYSA-N 0 0 302.334 0.766 50 0 DCAARN COc1ccc2nnc(CCC(=O)Nc3nnc(C)s3)n2n1 ZINC000071284972 396112059 /nfs/dbraw/zinc/11/20/59/396112059.db2.gz BWYUWJLOPYDTKY-UHFFFAOYSA-N 0 0 319.350 0.864 50 0 DCAARN O=C(COc1ccc2c(c1)CCC(=O)N2)N1CCNC(=O)CC1 ZINC000071839558 396117883 /nfs/dbraw/zinc/11/78/83/396117883.db2.gz AFVFIPVWAUAQAZ-UHFFFAOYSA-N 0 0 317.345 0.299 50 0 DCAARN COCCOc1ncccc1CNC(=O)c1ccc(=O)[nH]c1 ZINC000071851692 396118576 /nfs/dbraw/zinc/11/85/76/396118576.db2.gz LVMOFBFHIDGTAN-UHFFFAOYSA-N 0 0 303.318 0.725 50 0 DCAARN C[C@@H](C(=O)N1CCCC[C@@H]1Cn1cccn1)N1CCOCC1 ZINC000071865413 396119558 /nfs/dbraw/zinc/11/95/58/396119558.db2.gz YIWPISJRTFORBK-LSDHHAIUSA-N 0 0 306.410 0.985 50 0 DCAARN O=C(CN1CCCC[C@@H]1Cn1cncn1)NC1CCOCC1 ZINC000071876461 396121546 /nfs/dbraw/zinc/12/15/46/396121546.db2.gz IMAONNBBBOQCLK-CQSZACIVSA-N 0 0 307.398 0.428 50 0 DCAARN CCc1ncc2c(n1)CN([C@H](C)C(=O)N1CCOCC1)CC2 ZINC000071880333 396123035 /nfs/dbraw/zinc/12/30/35/396123035.db2.gz UKKGWBPTFWOPRS-GFCCVEGCSA-N 0 0 304.394 0.644 50 0 DCAARN COC(=O)C[C@@H]1C(=O)N[C@@H](C)C(=O)N1Cc1ccc(C)c(F)c1 ZINC000072233727 396127413 /nfs/dbraw/zinc/12/74/13/396127413.db2.gz LOZHIVYYNSGJFX-GXFFZTMASA-N 0 0 322.336 0.913 50 0 DCAARN CC(C)N1N=C(C(=O)N[C@H]2CCc3nccn3C2)CCC1=O ZINC000072271688 396128688 /nfs/dbraw/zinc/12/86/88/396128688.db2.gz OYQGCHQHCLSPGS-NSHDSACASA-N 0 0 303.366 0.701 50 0 DCAARN Cc1cc(C)n2ncc(-c3noc(CNS(C)(=O)=O)n3)c2n1 ZINC000072274935 396129147 /nfs/dbraw/zinc/12/91/47/396129147.db2.gz MEQMXARZYDXPLB-UHFFFAOYSA-N 0 0 322.350 0.445 50 0 DCAARN COC(=O)N1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000072297584 396130723 /nfs/dbraw/zinc/13/07/23/396130723.db2.gz KHRWAXWGSPOVAT-NSHDSACASA-N 0 0 316.321 0.233 50 0 DCAARN CCn1nc2c(cc1=O)CN(c1cc(C)nc3ncnn31)CC2 ZINC000072302159 396130943 /nfs/dbraw/zinc/13/09/43/396130943.db2.gz TXRVSLPTMOWYHG-UHFFFAOYSA-N 0 0 311.349 0.572 50 0 DCAARN CNS(=O)(=O)Cc1cccc(CNC(=O)[C@H]2CCCO2)c1 ZINC000069326098 396074822 /nfs/dbraw/zinc/07/48/22/396074822.db2.gz XZXIQTLYHTVIKL-CYBMUJFWSA-N 0 0 312.391 0.531 50 0 DCAARN O=C(NCC1(N2CCOCC2)CCCCC1)c1c[nH]c(=O)[nH]1 ZINC000069351805 396076099 /nfs/dbraw/zinc/07/60/99/396076099.db2.gz KBNXNOIRETZEFN-UHFFFAOYSA-N 0 0 308.382 0.468 50 0 DCAARN C[C@@H](C(N)=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000069417550 396078267 /nfs/dbraw/zinc/07/82/67/396078267.db2.gz UHEIQUVKTGHHRE-JTQLQIEISA-N 0 0 321.406 0.790 50 0 DCAARN Cc1nc(C)n(C[C@H]2CCCN2Cc2nnnn2C2CC2)n1 ZINC000069493143 396080603 /nfs/dbraw/zinc/08/06/03/396080603.db2.gz BEVVFAQDYSFHQE-CYBMUJFWSA-N 0 0 302.386 0.881 50 0 DCAARN Cc1cc(C[C@@H](C)NC(=O)CN2C(=O)NC(C)(C)C2=O)[nH]n1 ZINC000162450632 396080964 /nfs/dbraw/zinc/08/09/64/396080964.db2.gz BGTNXDDYTMMSIS-MRVPVSSYSA-N 0 0 307.354 0.096 50 0 DCAARN CN(C(=O)CN1CC[NH+](CCC(=O)[O-])CC1)C1CCCCC1 ZINC000069521161 396082050 /nfs/dbraw/zinc/08/20/50/396082050.db2.gz UVHBFFUFLQYUTF-UHFFFAOYSA-N 0 0 311.426 0.870 50 0 DCAARN COC[C@]1(C)NC(=O)N(Cc2ccc3c(c2)OCCO3)C1=O ZINC000069618022 396084361 /nfs/dbraw/zinc/08/43/61/396084361.db2.gz SWZMNTFUCRLSBK-HNNXBMFYSA-N 0 0 306.318 0.915 50 0 DCAARN Cc1ccnc(NC(=O)CN(C)CC(=O)NC[C@@H]2CCCO2)c1 ZINC000069595585 396084662 /nfs/dbraw/zinc/08/46/62/396084662.db2.gz GHQUFEJHHPKYAE-ZDUSSCGKSA-N 0 0 320.393 0.556 50 0 DCAARN Cc1nc(CN2CCN([C@@H](C(N)=O)c3ccccc3)CC2)no1 ZINC000074311217 396163788 /nfs/dbraw/zinc/16/37/88/396163788.db2.gz QBSUXZJENPMYTP-OAHLLOKOSA-N 0 0 315.377 0.722 50 0 DCAARN CN(C)C(=O)COC1CN(Cc2noc(-c3ccoc3)n2)C1 ZINC000075093974 396176049 /nfs/dbraw/zinc/17/60/49/396176049.db2.gz CXJMQUKGCNFYQT-UHFFFAOYSA-N 0 0 306.322 0.619 50 0 DCAARN NS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000076020021 396192106 /nfs/dbraw/zinc/19/21/06/396192106.db2.gz UQVNCEPQTHCPNG-YUMQZZPRSA-N 0 0 320.773 0.987 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)CCO2)[nH]1 ZINC000076044698 396192982 /nfs/dbraw/zinc/19/29/82/396192982.db2.gz INWRUWJIXJAWNA-NSHDSACASA-N 0 0 303.322 0.026 50 0 DCAARN NC(=O)c1cccnc1N1CCN(c2ncnc3[nH]ccc32)CC1 ZINC000263818685 396234185 /nfs/dbraw/zinc/23/41/85/396234185.db2.gz WYSHEJXSXZNADN-UHFFFAOYSA-N 0 0 323.360 0.778 50 0 DCAARN C[C@H](Cn1cncn1)NC(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000263902364 396241360 /nfs/dbraw/zinc/24/13/60/396241360.db2.gz JMVKUZCDYMMTJW-HONMWMINSA-N 0 0 301.350 0.624 50 0 DCAARN C[C@H](Cn1cncn1)NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000264064679 396253298 /nfs/dbraw/zinc/25/32/98/396253298.db2.gz BKXNVSNLXOQCFR-DGCLKSJQSA-N 0 0 303.370 0.947 50 0 DCAARN CC(C)c1nnc([C@H]2CN(C(=O)Cc3cnn(C)c3)CCO2)[nH]1 ZINC000078889269 396256188 /nfs/dbraw/zinc/25/61/88/396256188.db2.gz IYGMAJURYBHRLU-GFCCVEGCSA-N 0 0 318.381 0.804 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)[nH]1 ZINC000078888840 396256433 /nfs/dbraw/zinc/25/64/33/396256433.db2.gz IHISPVCFGYBEPF-LBPRGKRZSA-N 0 0 318.381 0.944 50 0 DCAARN COC(=O)c1csc(NC(=O)NCCN2CCOCC2)c1 ZINC000079110527 396261549 /nfs/dbraw/zinc/26/15/49/396261549.db2.gz JDONBKIVIXFFQW-UHFFFAOYSA-N 0 0 313.379 0.988 50 0 DCAARN C[C@H]1CCNC(=O)[C@@H]1NC(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000282121625 396265071 /nfs/dbraw/zinc/26/50/71/396265071.db2.gz GLUGZTNFBOHSOF-JOYOIKCWSA-N 0 0 319.365 0.430 50 0 DCAARN CCCc1noc(CCCC(=O)N2CCO[C@@H](C(=O)NC)C2)n1 ZINC000183563793 396271102 /nfs/dbraw/zinc/27/11/02/396271102.db2.gz NWJIXUNIHLIFRK-LLVKDONJSA-N 0 0 324.381 0.318 50 0 DCAARN CSCC[C@@](C)(O)CNC(=O)C(=O)NCc1ccco1 ZINC000077107214 396213090 /nfs/dbraw/zinc/21/30/90/396213090.db2.gz QEGKKWFIXJZUFU-CYBMUJFWSA-N 0 0 300.380 0.516 50 0 DCAARN Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)CO)CC1 ZINC000077357816 396219332 /nfs/dbraw/zinc/21/93/32/396219332.db2.gz OXUWJRRKPANIJG-UHFFFAOYSA-N 0 0 307.398 0.109 50 0 DCAARN CCCC[C@H]1C(=O)N(C)CCN1Cc1nc(C(=O)NC)no1 ZINC000077521747 396225005 /nfs/dbraw/zinc/22/50/05/396225005.db2.gz SVRYWRTZBPTKSZ-JTQLQIEISA-N 0 0 309.370 0.262 50 0 DCAARN O=c1c2sccc2nc2n1[C@@H]1CS(=O)(=O)C[C@H]1S2 ZINC000098212121 296530400 /nfs/dbraw/zinc/53/04/00/296530400.db2.gz OTKMRDUHEXIDPQ-RNFRBKRXSA-N 0 0 300.386 0.902 50 0 DCAARN C[C@H]1OCCN(C(=O)c2ccc(C(F)(F)F)nc2)[C@@H]1C(N)=O ZINC000285442465 396350656 /nfs/dbraw/zinc/35/06/56/396350656.db2.gz PODHONIWSLRCDO-XCBNKYQSSA-N 0 0 317.267 0.815 50 0 DCAARN C[C@@H]1CCN(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)[C@H]1CO ZINC000190567288 396408456 /nfs/dbraw/zinc/40/84/56/396408456.db2.gz CHGQHSNMHPTCSG-XBFCOCLRSA-N 0 0 309.414 0.435 50 0 DCAARN CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1cncn1C ZINC000191546581 396421178 /nfs/dbraw/zinc/42/11/78/396421178.db2.gz JJUKKTFUPGUTLF-UHFFFAOYSA-N 0 0 306.391 0.891 50 0 DCAARN Cc1ccc(C[C@H](CO)NC(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000191742639 396424093 /nfs/dbraw/zinc/42/40/93/396424093.db2.gz GMDHDDQKQOXTTK-HUUCEWRRSA-N 0 0 319.405 0.866 50 0 DCAARN Cn1cc(Cl)cc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000192708526 396435878 /nfs/dbraw/zinc/43/58/78/396435878.db2.gz UJGNIYQGYUOXSK-LLVKDONJSA-N 0 0 301.774 0.101 50 0 DCAARN COCCn1cnnc1CNC(=O)Cc1sc(C)nc1C ZINC000584884177 396631732 /nfs/dbraw/zinc/63/17/32/396631732.db2.gz ZBFLXCRZLYBUEV-UHFFFAOYSA-N 0 0 309.395 0.857 50 0 DCAARN CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC(c2ncon2)CC1 ZINC000584885731 396632171 /nfs/dbraw/zinc/63/21/71/396632171.db2.gz NUNOBWBMZDCIOY-UHFFFAOYSA-N 0 0 321.337 0.106 50 0 DCAARN Cn1cccc1C(=O)C(=O)N1CCN(CC2CC2)[C@H](CCO)C1 ZINC000584885888 396632543 /nfs/dbraw/zinc/63/25/43/396632543.db2.gz FEWKESIXFOGVDX-CQSZACIVSA-N 0 0 319.405 0.513 50 0 DCAARN Cc1cc(C)n2c(nnc2C(=O)N[C@H]2CCc3c[nH]nc3C2)n1 ZINC000584897032 396635517 /nfs/dbraw/zinc/63/55/17/396635517.db2.gz QMYCYCNVPKFUDD-NSHDSACASA-N 0 0 311.349 0.752 50 0 DCAARN CN1C[C@H](Cn2cnc3cccc(Cl)c3c2=O)OCC1=O ZINC000584898747 396635556 /nfs/dbraw/zinc/63/55/56/396635556.db2.gz XMXHJPAJFLCLQP-SECBINFHSA-N 0 0 307.737 0.907 50 0 DCAARN COC[C@@H](C)NC(=O)C1CCN(C(=O)c2c(C)ncn2C)CC1 ZINC000584897082 396635839 /nfs/dbraw/zinc/63/58/39/396635839.db2.gz NQAACSPJXMQBJV-LLVKDONJSA-N 0 0 322.409 0.732 50 0 DCAARN Cc1n[nH]c(C)c1CC(=O)N1CCC2(CC1)CN(C)C(=O)CO2 ZINC000584899945 396636327 /nfs/dbraw/zinc/63/63/27/396636327.db2.gz XLOVZKIUSVHODI-UHFFFAOYSA-N 0 0 320.393 0.419 50 0 DCAARN CCc1noc(CCNC(=O)[C@H]2CCCCn3nnnc32)n1 ZINC000584902845 396637384 /nfs/dbraw/zinc/63/73/84/396637384.db2.gz VVLWNJHMPDAWHG-VIFPVBQESA-N 0 0 305.342 0.245 50 0 DCAARN CCOCC(=O)N1CCC(C(=O)N2CCC[C@H](O)CC2)CC1 ZINC000584902271 396637411 /nfs/dbraw/zinc/63/74/11/396637411.db2.gz NVCCJACBJWRSQH-AWEZNQCLSA-N 0 0 312.410 0.635 50 0 DCAARN CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN([C@H]2C[C@@H](C)OC2=O)C1 ZINC000299754211 396714433 /nfs/dbraw/zinc/71/44/33/396714433.db2.gz SMHVSYLVBRZBOH-WQAKAFBOSA-N 0 0 322.365 0.505 50 0 DCAARN CN(Cc1ncc[nH]1)C(=O)c1cccnc1N1CCOCC1 ZINC000600218249 396759390 /nfs/dbraw/zinc/75/93/90/396759390.db2.gz UDNMDRAKOXQSLK-UHFFFAOYSA-N 0 0 301.350 0.914 50 0 DCAARN O=C(Cn1cccnc1=O)NCCN1CCCc2ccccc21 ZINC000618112318 396905311 /nfs/dbraw/zinc/90/53/11/396905311.db2.gz IZIKZXUXKNBSNS-UHFFFAOYSA-N 0 0 312.373 0.812 50 0 DCAARN CN(C)c1ncc(NC(=O)N[C@@H]2CCN(C3CCC3)C2=O)cn1 ZINC000626456612 397166005 /nfs/dbraw/zinc/16/60/05/397166005.db2.gz JHZYEBFNSJQKPS-GFCCVEGCSA-N 0 0 318.381 0.818 50 0 DCAARN Cc1ccc(F)c(CN2CCN3C(=O)CN(C)C(=O)[C@H]3C2)c1 ZINC000014748093 292117575 /nfs/dbraw/zinc/11/75/75/292117575.db2.gz UJHCALZBEBUWNI-CQSZACIVSA-N 0 0 305.353 0.619 50 0 DCAARN CC(C)(C)C(=O)C=c1[nH]c(=O)c(=Cc2cc[nH]c(=O)c2)s1 ZINC000606445334 397681564 /nfs/dbraw/zinc/68/15/64/397681564.db2.gz JBKRHEXVNCLQLG-UHFFFAOYSA-N 0 0 304.371 0.762 50 0 DCAARN COc1cc(OC)cc(C(=O)Nc2cn(C)nc2C(N)=O)c1 ZINC000002803043 286241222 /nfs/dbraw/zinc/24/12/22/286241222.db2.gz KWDMYLSGONCLRG-UHFFFAOYSA-N 0 0 304.306 0.789 50 0 DCAARN COc1ccc(OC)c(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032831608 286342874 /nfs/dbraw/zinc/34/28/74/286342874.db2.gz VEMOZJYXQZXSFF-BXKDBHETSA-N 0 0 311.359 0.854 50 0 DCAARN COc1ccccc1[C@@H]1CNC(=O)c2[nH]c(C(N)=O)nc2C1 ZINC000065424257 286511846 /nfs/dbraw/zinc/51/18/46/286511846.db2.gz YAIJABBSNQQXNR-QMMMGPOBSA-N 0 0 300.318 0.587 50 0 DCAARN O[C@@H](Cn1cccn1)CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000172657207 158397587 /nfs/dbraw/zinc/39/75/87/158397587.db2.gz WUCRBXBOGGGEQP-SECBINFHSA-N 0 0 316.287 0.370 50 0 DCAARN O=C(Cn1nnc2ccccc2c1=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000329881519 159125877 /nfs/dbraw/zinc/12/58/77/159125877.db2.gz OPPHSGXZRNKRQT-AWEZNQCLSA-N 0 0 324.344 0.878 50 0 DCAARN C[C@@H]1CN(C(=O)CCOC2CCOCC2)C[C@@H](C)S1=O ZINC000408341088 296807365 /nfs/dbraw/zinc/80/73/65/296807365.db2.gz GQVIJPDYFBVJPL-VXGBXAGGSA-N 0 0 303.424 0.940 50 0 DCAARN C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H](c2ccccc2)O1 ZINC000071827262 296809495 /nfs/dbraw/zinc/80/94/95/296809495.db2.gz GTFHKGHMFKMVJC-YPMHNXCESA-N 0 0 317.345 0.527 50 0 DCAARN Cc1nc(NC(=O)N2CCN(c3nc(C)cc(C)n3)CC2)n[nH]1 ZINC000023505792 415158081 /nfs/dbraw/zinc/15/80/81/415158081.db2.gz KUNWDDKGQPZIGU-UHFFFAOYSA-N 0 0 316.369 0.874 50 0 DCAARN Cn1nc(NCCCn2cnc3ccccc32)c(=O)n(C)c1=O ZINC000024748817 415160088 /nfs/dbraw/zinc/16/00/88/415160088.db2.gz LIZGXKFHFRCGRF-UHFFFAOYSA-N 0 0 314.349 0.331 50 0 DCAARN CC[C@@H](C)[C@H](NC(N)=O)C(=O)NCC(=O)OCc1ccccc1 ZINC000025398490 415162795 /nfs/dbraw/zinc/16/27/95/415162795.db2.gz AXRTXSLLBAMENN-RISCZKNCSA-N 0 0 321.377 0.929 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)n(C)c1 ZINC000025434347 415162883 /nfs/dbraw/zinc/16/28/83/415162883.db2.gz LRUUXGLLRGPPFO-NXEZZACHSA-N 0 0 315.395 0.183 50 0 DCAARN Cc1ccc2nc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)cn2c1 ZINC000007064790 415136392 /nfs/dbraw/zinc/13/63/92/415136392.db2.gz HCYCQWYWXLXVTQ-UHFFFAOYSA-N 0 0 324.344 0.438 50 0 DCAARN Cc1ccc(CC(=O)OCC(=O)N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000007308573 415137997 /nfs/dbraw/zinc/13/79/97/415137997.db2.gz NMFLPURAAMMPJL-CQSZACIVSA-N 0 0 318.373 0.805 50 0 DCAARN CCN(CC)C(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C ZINC000007782985 415141908 /nfs/dbraw/zinc/14/19/08/415141908.db2.gz FMVRSKIETLRUJV-UHFFFAOYSA-N 0 0 316.427 0.619 50 0 DCAARN O=C(CN1CCC(O)CC1)N1CCN(c2ccccn2)CC1 ZINC000010053401 415144022 /nfs/dbraw/zinc/14/40/22/415144022.db2.gz OUXYSUFNTTWYKV-UHFFFAOYSA-N 0 0 304.394 0.187 50 0 DCAARN CN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCOC[C@@H]32)C1=O ZINC000009090005 415145615 /nfs/dbraw/zinc/14/56/15/415145615.db2.gz TZVQGAFUWZDPPL-WBMJQRKESA-N 0 0 315.329 0.143 50 0 DCAARN NC(=O)NCCCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000009613735 415145809 /nfs/dbraw/zinc/14/58/09/415145809.db2.gz PRYIYPZAQKMYON-UHFFFAOYSA-N 0 0 308.357 0.923 50 0 DCAARN COc1c(C)cnc2c1c(=O)n(Cc1ccccn1)c(=O)n2C ZINC000009571484 415146052 /nfs/dbraw/zinc/14/60/52/415146052.db2.gz CANZVOCPOJCGCV-UHFFFAOYSA-N 0 0 312.329 0.856 50 0 DCAARN COCCCNC(=O)[C@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000009059742 415146580 /nfs/dbraw/zinc/14/65/80/415146580.db2.gz BBRIJCACMVFPPF-NSHDSACASA-N 0 0 318.381 0.722 50 0 DCAARN COC(=O)c1cc2occc2n1C[C@@H](O)CN1CCOCC1 ZINC000025758185 415165533 /nfs/dbraw/zinc/16/55/33/415165533.db2.gz PUSYXRLDKZFDPR-NSHDSACASA-N 0 0 308.334 0.714 50 0 DCAARN COc1cccc(CCNC(=O)Cn2nc(C)ccc2=O)c1 ZINC000044394545 415219815 /nfs/dbraw/zinc/21/98/15/415219815.db2.gz NOESFHNVFLDOJY-UHFFFAOYSA-N 0 0 301.346 0.919 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000044913628 415232694 /nfs/dbraw/zinc/23/26/94/415232694.db2.gz XVBSAGNUDZNUSD-SNVBAGLBSA-N 0 0 318.299 0.789 50 0 DCAARN COCc1ccccc1CNS(=O)(=O)N1CCOCC1 ZINC000044910738 415232977 /nfs/dbraw/zinc/23/29/77/415232977.db2.gz URZHJXZISJPZBW-UHFFFAOYSA-N 0 0 300.380 0.500 50 0 DCAARN COc1cccc(S(=O)(=O)CC(=O)N2CCO[C@@H](C)C2)c1 ZINC000044947610 415234367 /nfs/dbraw/zinc/23/43/67/415234367.db2.gz QUKKSXGNGFSDCH-NSHDSACASA-N 0 0 313.375 0.716 50 0 DCAARN C[C@H](CNC(=O)CCNS(C)(=O)=O)N(C)c1ccccc1 ZINC000044941544 415234909 /nfs/dbraw/zinc/23/49/09/415234909.db2.gz GJSLPTJKBXFYQR-GFCCVEGCSA-N 0 0 313.423 0.567 50 0 DCAARN COc1ccc([C@H](O)CNC(=O)c2ccn(C)c(=O)c2)cc1 ZINC000044918883 415235679 /nfs/dbraw/zinc/23/56/79/415235679.db2.gz ZAQVSVIYKOPTPJ-CQSZACIVSA-N 0 0 302.330 0.857 50 0 DCAARN CCN(CC)C(=O)CN(C)CCn1nc2ccccn2c1=O ZINC000045736068 415250418 /nfs/dbraw/zinc/25/04/18/415250418.db2.gz KEKURGMFKLCKCY-UHFFFAOYSA-N 0 0 305.382 0.296 50 0 DCAARN Cc1noc(C)c1CN(C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000045674537 415252528 /nfs/dbraw/zinc/25/25/28/415252528.db2.gz HDCHNGQIKVWAEA-LLVKDONJSA-N 0 0 315.395 0.868 50 0 DCAARN C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)S(C)(=O)=O ZINC000045881503 415254875 /nfs/dbraw/zinc/25/48/75/415254875.db2.gz MISSMZQQHRHMMJ-MNOVXSKESA-N 0 0 313.375 0.718 50 0 DCAARN O=C(NCCN1C(=O)CSC1=O)c1ccc2c(c1)OCCO2 ZINC000047421693 415271945 /nfs/dbraw/zinc/27/19/45/415271945.db2.gz YWZYPDLMFOIBAK-UHFFFAOYSA-N 0 0 322.342 0.883 50 0 DCAARN CC[C@@H](C)NC(=O)CN1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000044744115 415224921 /nfs/dbraw/zinc/22/49/21/415224921.db2.gz PXSIFIQRZZKYKL-NEPJUHHUSA-N 0 0 309.414 0.971 50 0 DCAARN C[C@@H]1CN(C(=O)CN2CCN(c3nccs3)CC2)CCO1 ZINC000044894432 415228708 /nfs/dbraw/zinc/22/87/08/415228708.db2.gz DSWGBTLKOBXDHT-GFCCVEGCSA-N 0 0 310.423 0.512 50 0 DCAARN CCc1ccc(C(=O)N2CCC(NS(C)(=O)=O)CC2)o1 ZINC000044913743 415231060 /nfs/dbraw/zinc/23/10/60/415231060.db2.gz SGQAZSVDAMQKOY-UHFFFAOYSA-N 0 0 300.380 0.996 50 0 DCAARN CCN(C[C@@H]1CCOC1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000048286917 415286943 /nfs/dbraw/zinc/28/69/43/415286943.db2.gz LGJDWFUWUINSOV-NEPJUHHUSA-N 0 0 304.412 0.489 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)N[C@@H](C)Cc2ccco2)CC1 ZINC000048300430 415287000 /nfs/dbraw/zinc/28/70/00/415287000.db2.gz ZZPPROYHBWKVRW-LBPRGKRZSA-N 0 0 322.409 0.720 50 0 DCAARN CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccc(F)cc1 ZINC000048374271 415290312 /nfs/dbraw/zinc/29/03/12/415290312.db2.gz DNPFRXDAQUIUPR-UHFFFAOYSA-N 0 0 320.324 0.124 50 0 DCAARN NS(=O)(=O)c1ccc(N[C@@H]2CCN(c3ccccn3)C2)nc1 ZINC000342789154 415298655 /nfs/dbraw/zinc/29/86/55/415298655.db2.gz ZVXCTADEMMWVMD-LLVKDONJSA-N 0 0 319.390 0.815 50 0 DCAARN C[C@@H](Cc1ccco1)NC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000048853104 415301212 /nfs/dbraw/zinc/30/12/12/415301212.db2.gz IARGFUCQMZSLDM-WDEREUQCSA-N 0 0 300.380 0.945 50 0 DCAARN O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1cocn1 ZINC000274234873 415342553 /nfs/dbraw/zinc/34/25/53/415342553.db2.gz ZDBRUZWIJKAKSJ-UHFFFAOYSA-N 0 0 306.297 0.975 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC000071881757 415410961 /nfs/dbraw/zinc/41/09/61/415410961.db2.gz LTKHMOKFSAXSAG-CABCVRRESA-N 0 0 311.426 0.160 50 0 DCAARN COc1c(C)cc(C(=O)N2CCNC(=O)[C@H]2CCO)cc1C ZINC000067675928 415379680 /nfs/dbraw/zinc/37/96/80/415379680.db2.gz RQXOPMNLVSYCAL-CYBMUJFWSA-N 0 0 306.362 0.635 50 0 DCAARN COCCC(=O)N[C@H]1C[C@@H](C(=O)N2CCCCCC2)N(C)C1 ZINC000067674345 415381019 /nfs/dbraw/zinc/38/10/19/415381019.db2.gz QAPYUZOJYYXGJR-KBPBESRZSA-N 0 0 311.426 0.614 50 0 DCAARN Cn1cncc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000277405707 415482945 /nfs/dbraw/zinc/48/29/45/415482945.db2.gz LJFFHTWUWZDFCU-UHFFFAOYSA-N 0 0 319.409 0.190 50 0 DCAARN CCCc1cc(C(=O)N2CCC(NS(C)(=O)=O)CC2)no1 ZINC000082092979 415487192 /nfs/dbraw/zinc/48/71/92/415487192.db2.gz ICBSCAHZYSWKHJ-UHFFFAOYSA-N 0 0 315.395 0.781 50 0 DCAARN CC(=O)N[C@@H]1CCCN(C(=O)NCc2c(C)cc(C)[nH]c2=O)C1 ZINC000084072732 415493962 /nfs/dbraw/zinc/49/39/62/415493962.db2.gz BTTAPJBAFSNFFQ-CYBMUJFWSA-N 0 0 320.393 0.802 50 0 DCAARN O=C(CN1C(=O)CCC1=O)NC[C@@](O)(c1ccco1)C1CC1 ZINC000075154881 415436715 /nfs/dbraw/zinc/43/67/15/415436715.db2.gz HYCGQADTYFHCRA-HNNXBMFYSA-N 0 0 306.318 0.142 50 0 DCAARN O=C(NC[C@@H]1CCCO1)c1coc(NC(=O)c2cnccn2)n1 ZINC000075157962 415439208 /nfs/dbraw/zinc/43/92/08/415439208.db2.gz FIVIDZGCPVAJSW-VIFPVBQESA-N 0 0 317.305 0.626 50 0 DCAARN Cc1cc(C)cc(OCCNC(=O)c2c[nH]c(=O)n(C)c2=O)c1 ZINC000075172493 415442558 /nfs/dbraw/zinc/44/25/58/415442558.db2.gz BPGDNTNSFOXYQA-UHFFFAOYSA-N 0 0 317.345 0.499 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1 ZINC000075602941 415447777 /nfs/dbraw/zinc/44/77/77/415447777.db2.gz INXDAPBHHMZOTB-ZDUSSCGKSA-N 0 0 315.377 0.406 50 0 DCAARN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)CO)cc1 ZINC000095349457 415547475 /nfs/dbraw/zinc/54/74/75/415547475.db2.gz WPZVNAPXARJXAS-WDEREUQCSA-N 0 0 314.407 0.874 50 0 DCAARN CN(Cc1cc[nH]n1)C(=O)[C@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000095355303 415552150 /nfs/dbraw/zinc/55/21/50/415552150.db2.gz DSNHKXJJRYPRSC-ZDUSSCGKSA-N 0 0 313.361 0.812 50 0 DCAARN C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000333085948 415554668 /nfs/dbraw/zinc/55/46/68/415554668.db2.gz NCJZSQPUBRFZDK-NDBYEHHHSA-N 0 0 318.439 0.636 50 0 DCAARN CC[C@H](O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000095381643 415558522 /nfs/dbraw/zinc/55/85/22/415558522.db2.gz PKGLVORWVWFRAY-HNNXBMFYSA-N 0 0 312.435 0.905 50 0 DCAARN O=C1NCCCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000095458811 415562765 /nfs/dbraw/zinc/56/27/65/415562765.db2.gz BOTHGBFXJIAQDN-ZDUSSCGKSA-N 0 0 324.402 0.959 50 0 DCAARN C[C@](NS(=O)(=O)c1ccccn1)(C(N)=O)c1ccccc1 ZINC000095972587 415567822 /nfs/dbraw/zinc/56/78/22/415567822.db2.gz ZTRXXRSDZOXLBX-CQSZACIVSA-N 0 0 305.359 0.761 50 0 DCAARN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC(CO)C1 ZINC000096012556 415570811 /nfs/dbraw/zinc/57/08/11/415570811.db2.gz FPBRZQAVZWUTJT-UHFFFAOYSA-N 0 0 319.404 0.011 50 0 DCAARN O=C(CN[C@@H](CO)c1ccc(Cl)c(F)c1)N1CCOCC1 ZINC000096006515 415573177 /nfs/dbraw/zinc/57/31/77/415573177.db2.gz MNNXANWTBOMWDQ-ZDUSSCGKSA-N 0 0 316.760 0.961 50 0 DCAARN Cc1cccc(NC(=O)CN2NN=C3C(=O)NC(=O)[C@H]32)c1C ZINC000102906780 415601698 /nfs/dbraw/zinc/60/16/98/415601698.db2.gz YMQJXZKOIKIOOX-NEPJUHHUSA-N 0 0 301.306 0.318 50 0 DCAARN O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCc1ccccn1 ZINC000103031637 415604893 /nfs/dbraw/zinc/60/48/93/415604893.db2.gz ITDWLNYRIYQKJI-KBPBESRZSA-N 0 0 313.357 0.692 50 0 DCAARN CC(C)C[C@H](CNC(=O)[C@H]1CCOC1)NC(=O)[C@H]1CCOC1 ZINC000106870933 415650262 /nfs/dbraw/zinc/65/02/62/415650262.db2.gz HWFDGSUOTKMRMZ-MELADBBJSA-N 0 0 312.410 0.707 50 0 DCAARN CCN(C)[C@H](C(=O)O[C@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC000106872489 415652667 /nfs/dbraw/zinc/65/26/67/415652667.db2.gz SMGGKXCBFQDLNG-PWSUYJOCSA-N 0 0 307.350 0.806 50 0 DCAARN NC(=O)CO[C@@H]1CCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000107069623 415660024 /nfs/dbraw/zinc/66/00/24/415660024.db2.gz IKCVHGWQQCZYQR-ZBFHGGJFSA-N 0 0 317.389 0.583 50 0 DCAARN O=C(c1ccc(-n2cncn2)nc1)N1CCOCC(F)(F)C1 ZINC000290560136 415820246 /nfs/dbraw/zinc/82/02/46/415820246.db2.gz FUBQADLSLLUKSI-UHFFFAOYSA-N 0 0 309.276 0.770 50 0 DCAARN Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC000299758151 416063663 /nfs/dbraw/zinc/06/36/63/416063663.db2.gz NXNDNDQFOVYKPR-UKRRQHHQSA-N 0 0 318.377 0.985 50 0 DCAARN Cn1nc(C(F)(F)F)cc1C(=O)NCCN1CCNC1=O ZINC000299773317 416065777 /nfs/dbraw/zinc/06/57/77/416065777.db2.gz DNSTXLFYXUWLME-UHFFFAOYSA-N 0 0 305.260 0.194 50 0 DCAARN O=C([C@H]1CCS(=O)(=O)C1)N1CC(Oc2ccc(F)cc2)C1 ZINC000299773699 416065859 /nfs/dbraw/zinc/06/58/59/416065859.db2.gz FERUMIUBAHZLKD-JTQLQIEISA-N 0 0 313.350 0.850 50 0 DCAARN O=C(CCCn1cnnn1)N1CCC(c2ccncn2)CC1 ZINC000299782678 416066826 /nfs/dbraw/zinc/06/68/26/416066826.db2.gz NGVHZLPCHBPBMS-UHFFFAOYSA-N 0 0 301.354 0.650 50 0 DCAARN CNS(=O)(=O)CCNC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000299784194 416067745 /nfs/dbraw/zinc/06/77/45/416067745.db2.gz ZICVSOCRSPCAPN-UHFFFAOYSA-N 0 0 317.415 0.388 50 0 DCAARN COc1ccc2oc(CNC(=O)[C@@H]3CCS(=O)(=O)C3)nc2c1 ZINC000299791583 416069824 /nfs/dbraw/zinc/06/98/24/416069824.db2.gz DJZMLLXBNIFBAS-SECBINFHSA-N 0 0 324.358 0.887 50 0 DCAARN COCCn1cnnc1[C@@H](C)NC(=O)c1cnn2ccn(C)c12 ZINC000299789033 416070235 /nfs/dbraw/zinc/07/02/35/416070235.db2.gz YFDBXHXIOZPKKB-SNVBAGLBSA-N 0 0 317.353 0.402 50 0 DCAARN CNS(=O)(=O)CCNC(=O)Nc1ccc2c(cnn2C)c1 ZINC000299794725 416070297 /nfs/dbraw/zinc/07/02/97/416070297.db2.gz NFXIAJFRZJSHOF-UHFFFAOYSA-N 0 0 311.367 0.244 50 0 DCAARN CN(CCc1cnn(C)c1)c1cc([C@H]2CCOC2)nc(N)n1 ZINC000299795957 416070897 /nfs/dbraw/zinc/07/08/97/416070897.db2.gz NATDMQANLDBYKI-LBPRGKRZSA-N 0 0 302.382 0.975 50 0 DCAARN COCc1nn(CC(=O)N2CCc3ccccc3C2)c(=O)o1 ZINC000164579222 416019258 /nfs/dbraw/zinc/01/92/58/416019258.db2.gz RHHTUZQCKNRVTH-UHFFFAOYSA-N 0 0 303.318 0.568 50 0 DCAARN CC(=O)N[C@@H]1CCCN(C(=O)CN(C)Cc2nccs2)C1 ZINC000175068098 416096370 /nfs/dbraw/zinc/09/63/70/416096370.db2.gz ZVEKAALOLOXYNJ-GFCCVEGCSA-N 0 0 310.423 0.702 50 0 DCAARN Cn1cnn(CC(=O)N2CCN(C)c3ccc(Cl)cc32)c1=O ZINC000182269484 416216671 /nfs/dbraw/zinc/21/66/71/416216671.db2.gz ASASWYYBLNDKBL-UHFFFAOYSA-N 0 0 321.768 0.718 50 0 DCAARN CCn1cc(S(=O)(=O)N(C)[C@@H](C)C[S@](C)=O)nc1C ZINC000331084484 416261309 /nfs/dbraw/zinc/26/13/09/416261309.db2.gz ZISWDCLDAWFIJO-YYSFKGJASA-N 0 0 307.441 0.599 50 0 DCAARN Cc1cc(NC(=O)Cn2cnnc2[S@@](C)=O)n(C(C)(C)C)n1 ZINC000330734312 416235136 /nfs/dbraw/zinc/23/51/36/416235136.db2.gz URXMGWCFRWELSK-JOCHJYFZSA-N 0 0 324.410 0.914 50 0 DCAARN Cc1cc(C(=O)NCCc2nnc(-c3cccnc3)[nH]2)cc(=O)[nH]1 ZINC000215286401 416326975 /nfs/dbraw/zinc/32/69/75/416326975.db2.gz PODYNHHUXDKHIE-UHFFFAOYSA-N 0 0 324.344 0.836 50 0 DCAARN Nc1n[nH]c(C(=O)N2CCCO[C@@H](Cn3cccn3)C2)c1Cl ZINC000216274459 416327407 /nfs/dbraw/zinc/32/74/07/416327407.db2.gz YQNXMHYANSKFOC-SECBINFHSA-N 0 0 324.772 0.773 50 0 DCAARN CN(C)c1ncc(CN2CCC[C@@H](CS(C)(=O)=O)C2)cn1 ZINC000216266630 416327417 /nfs/dbraw/zinc/32/74/17/416327417.db2.gz PTBOVIBHUXQYIU-GFCCVEGCSA-N 0 0 312.439 0.799 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCC(Oc2cccnc2)CC1 ZINC000216270919 416327464 /nfs/dbraw/zinc/32/74/64/416327464.db2.gz AGZRFJUROCYTCF-LBPRGKRZSA-N 0 0 318.333 0.050 50 0 DCAARN Cc1cc(C)n(CCNC(=O)COC[C@H]2CCCCO2)c(=O)n1 ZINC000240825149 416329917 /nfs/dbraw/zinc/32/99/17/416329917.db2.gz QNJSMPUAKIZDPT-CQSZACIVSA-N 0 0 323.393 0.562 50 0 DCAARN Nc1ccnc(N2CC[C@@H](NC(=O)c3ccccc3)[C@H](O)C2)n1 ZINC000243914724 416330292 /nfs/dbraw/zinc/33/02/92/416330292.db2.gz BJZSSDSOUHOOSO-CHWSQXEVSA-N 0 0 313.361 0.428 50 0 DCAARN COCCc1noc([C@@H]2CCCCN2CCn2cc[nH]c2=O)n1 ZINC000243892571 416330483 /nfs/dbraw/zinc/33/04/83/416330483.db2.gz AIZZSVBFMVMCQH-LBPRGKRZSA-N 0 0 321.381 0.976 50 0 DCAARN O=C(CCN1CCOCC1)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000244626698 416330566 /nfs/dbraw/zinc/33/05/66/416330566.db2.gz FQSWIVIJZXURRX-VBQJREDUSA-N 0 0 319.405 0.732 50 0 DCAARN COCCN1C[C@@H](CNC(=O)c2ccc(C)nc2C)CC1=O ZINC000244773691 416330879 /nfs/dbraw/zinc/33/08/79/416330879.db2.gz PERIYOLOTUHSLA-CYBMUJFWSA-N 0 0 305.378 0.923 50 0 DCAARN C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1C(=O)Nc1ccc(C2CC2)nn1 ZINC000583651048 416480202 /nfs/dbraw/zinc/48/02/02/416480202.db2.gz FUXKJGYEVUXLRE-IVZWLZJFSA-N 0 0 303.366 1.483 50 0 DCAARN CCNC(=O)[C@@H](C)NS(=O)(=O)c1cnnn1-c1ccccc1 ZINC000583650844 416480733 /nfs/dbraw/zinc/48/07/33/416480733.db2.gz AIDMAHKRRTYEFG-SNVBAGLBSA-N 0 0 323.378 0.070 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000583651697 416482105 /nfs/dbraw/zinc/48/21/05/416482105.db2.gz RJHCANKQWNUPNM-CYBMUJFWSA-N 0 0 312.439 0.752 50 0 DCAARN Cn1c(NC(=O)c2ccc(-n3cnnc3)cc2)nnc1C1CC1 ZINC000585113337 416518476 /nfs/dbraw/zinc/51/84/76/416518476.db2.gz QBVFZMIWRVSTEP-UHFFFAOYSA-N 0 0 309.333 1.526 50 0 DCAARN Nc1nc(-c2nc(C3CCCC3)no2)nc(N2CCOCC2)n1 ZINC000585133506 416519766 /nfs/dbraw/zinc/51/97/66/416519766.db2.gz JYYFTJXIHSDTOT-UHFFFAOYSA-N 0 0 317.353 0.998 50 0 DCAARN COC[C@]1(C)CN(C(=O)NCC[C@]2(O)CCCOC2)CCO1 ZINC000624304488 417005364 /nfs/dbraw/zinc/00/53/64/417005364.db2.gz IBFVYTDFCYPSHW-LSDHHAIUSA-N 0 0 316.398 0.365 50 0 DCAARN COC[C@H](C)n1ccc(NC(=O)N2CCC[C@H](C(=O)OC)C2)n1 ZINC000390835363 417099587 /nfs/dbraw/zinc/09/95/87/417099587.db2.gz LVKXSRBRJIOBGR-RYUDHWBXSA-N 0 0 324.381 1.507 50 0 DCAARN COCC[C@@H](CO)NC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000390835636 417101626 /nfs/dbraw/zinc/10/16/26/417101626.db2.gz SXXSNGGLRHHWPL-NSHDSACASA-N 0 0 311.386 1.302 50 0 DCAARN O=C(c1ccc(C(F)(F)F)[nH]1)N1CCN2C(=O)N=NC2C1 ZINC000450615692 417249712 /nfs/dbraw/zinc/24/97/12/417249712.db2.gz OVQIJKDYVHPFIW-UHFFFAOYSA-N 0 0 301.228 0.987 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)CCc2scnc2C)cn1 ZINC000622316266 417427884 /nfs/dbraw/zinc/42/78/84/417427884.db2.gz KVLNXOILDVDSNO-UHFFFAOYSA-N 0 0 307.379 0.965 50 0 DCAARN CCNC(=O)NC1(CCOC)CCN(S(=O)(=O)CC)CC1 ZINC000575546727 417539261 /nfs/dbraw/zinc/53/92/61/417539261.db2.gz TWWUQGBNQKEFKS-UHFFFAOYSA-N 0 0 321.443 0.526 50 0 DCAARN Cn1cc(-c2nccnc2CNC(=O)NC2CCOCC2)cn1 ZINC000575606890 417539298 /nfs/dbraw/zinc/53/92/98/417539298.db2.gz VISOVNQWSMCTDH-UHFFFAOYSA-N 0 0 316.365 0.855 50 0 DCAARN COCCNC(=O)C1(F)CCN(C(=O)c2nccn2C)CC1 ZINC000575554822 417540290 /nfs/dbraw/zinc/54/02/90/417540290.db2.gz BRZCMXQRVLYHLN-UHFFFAOYSA-N 0 0 312.345 0.127 50 0 DCAARN O=C(NCCn1ccnc1-c1cnccn1)c1ccc(=O)[nH]n1 ZINC000575610302 417541021 /nfs/dbraw/zinc/54/10/21/417541021.db2.gz VHCDJACCRZPHFR-UHFFFAOYSA-N 0 0 311.305 0.266 50 0 DCAARN Cc1nn(C)c(C)c1C(=O)NCCn1nc(C2CC2)ccc1=O ZINC000575607853 417541752 /nfs/dbraw/zinc/54/17/52/417541752.db2.gz KNZCJQXOCPMJHW-UHFFFAOYSA-N 0 0 315.377 0.901 50 0 DCAARN CNc1cc([C@H]2C[C@@H](NC(=O)c3[nH]nnc3C)C2)nc(N)n1 ZINC000244858626 273975188 /nfs/dbraw/zinc/97/51/88/273975188.db2.gz VOUXLCFYKQICJQ-OCAPTIKFSA-N 0 0 302.342 0.203 50 0 DCAARN C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=NN3C)n(C)c1=O ZINC000009060117 275403859 /nfs/dbraw/zinc/40/38/59/275403859.db2.gz CLLMMEQDBCAATN-AATRIKPKSA-N 0 0 302.338 0.299 50 0 DCAARN CC1CCN(C(=O)c2ccc3c(=O)[nH]c(=O)n(C)c3n2)CC1 ZINC000013019006 275935730 /nfs/dbraw/zinc/93/57/30/275935730.db2.gz HYBDIYOMNCQCPT-UHFFFAOYSA-N 0 0 302.334 0.494 50 0 DCAARN CC(C)n1c(Br)nc2c1c(=O)n(C)c(=O)n2C ZINC000000093619 276081504 /nfs/dbraw/zinc/08/15/04/276081504.db2.gz OYOSTJSOFBEGON-UHFFFAOYSA-N 0 0 301.144 0.777 50 0 biogenic DCAARN COC(=O)C1=C[C@@]2(CC(=O)N(c3cc(C)cc(C)c3)C2=O)NN1 ZINC000000535292 277051395 /nfs/dbraw/zinc/05/13/95/277051395.db2.gz XNKIBSDEZRAHEP-INIZCTEOSA-N 0 0 315.329 0.828 50 0 DCAARN CC(=O)N[C@@H](C(=O)NC[C@H](C(C)C)N1CCOCC1)C(C)C ZINC000042028298 278126480 /nfs/dbraw/zinc/12/64/80/278126480.db2.gz ZJZQWNIRUUNHTH-HUUCEWRRSA-N 0 0 313.442 0.620 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)CCOCC(F)(F)F)CC1 ZINC000069919179 288106118 /nfs/dbraw/zinc/10/61/18/288106118.db2.gz XSXODPNKOLEXCH-NSHDSACASA-N 0 0 312.332 0.871 50 0 DCAARN CC(C)C[C@H](NS(C)(=O)=O)C(=O)N(C)Cc1cnn(C)c1 ZINC000041997277 279194261 /nfs/dbraw/zinc/19/42/61/279194261.db2.gz XEULOZGMXCIGRY-LBPRGKRZSA-N 0 0 316.427 0.342 50 0 DCAARN Cn1c2ccc(-c3nc4c([nH]3)C(=O)NCCC4)cc2n(C)c1=O ZINC000102831650 279316868 /nfs/dbraw/zinc/31/68/68/279316868.db2.gz NUXRFZBHQJRLOO-UHFFFAOYSA-N 0 0 311.345 0.943 50 0 DCAARN CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000013646338 280272924 /nfs/dbraw/zinc/27/29/24/280272924.db2.gz DOFAQXCYFQKSHT-SRVKXCTJSA-N 0 0 311.382 0.036 50 0 in-vitro DCAARN Cc1ccc(-c2nnc3n(C)c4c(n23)n(C)c(=O)[nH]c4=O)cc1 ZINC000010963155 280733859 /nfs/dbraw/zinc/73/38/59/280733859.db2.gz LJXNSWDYXIXRAZ-UHFFFAOYSA-N 0 0 310.317 0.583 50 0 DCAARN CC1(C)OC(=O)N(CCN2C(=O)OC(C)(C)[C@]2(C)O)[C@]1(C)O ZINC000012402032 281399650 /nfs/dbraw/zinc/39/96/50/281399650.db2.gz MVHAFMJBIFNSGD-OKILXGFUSA-N 0 0 316.354 0.865 50 0 DCAARN Cc1cccn2c(=O)c(C=O)c(N[C@@H]3CCS(=O)(=O)C3)nc12 ZINC000004087388 292711040 /nfs/dbraw/zinc/71/10/40/292711040.db2.gz HGZYJYYFRWBBNS-SNVBAGLBSA-N 0 0 321.358 0.414 50 0 DCAARN Cc1nc([C@@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)no1 ZINC000075573174 293371122 /nfs/dbraw/zinc/37/11/22/293371122.db2.gz BKTXHMKWPZDZOU-NSHDSACASA-N 0 0 305.338 0.113 50 0 DCAARN NC(=O)[C@]1(O)CCCN(c2ncc(Br)cn2)C1 ZINC000284659915 295167495 /nfs/dbraw/zinc/16/74/95/295167495.db2.gz PKTGRPNVWKCKHM-JTQLQIEISA-N 0 0 301.144 0.056 50 0 DCAARN COc1ccc([C@H]2CC3(C)NC(=O)C2C(=O)N3)c(OC)c1OC ZINC000062001825 295247452 /nfs/dbraw/zinc/24/74/52/295247452.db2.gz RLYRNVOTMWPCNV-GRBIUAATSA-N 0 0 320.345 0.778 50 0 biogenic DCAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000053382521 295493046 /nfs/dbraw/zinc/49/30/46/295493046.db2.gz SUPLMUJAOYLGII-NWDGAFQWSA-N 0 0 321.377 0.631 50 0 DCAARN O=C(N1CCC2(CC1)[C@H](O)C[C@@H]2O)C1(Cn2ccnc2)CC1 ZINC000091664973 295567155 /nfs/dbraw/zinc/56/71/55/295567155.db2.gz ARPOLXSYQLLGNY-BETUJISGSA-N 0 0 305.378 0.398 50 0 DCAARN C[C@@]12CCCN1C(=O)N([C@H]1CCN(CC(F)(F)F)C1=O)C2=O ZINC000253420086 297937465 /nfs/dbraw/zinc/93/74/65/297937465.db2.gz DCEMTGLOPJIZEK-UFBFGSQYSA-N 0 0 319.283 0.966 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCCNS(C)(=O)=O)cc1 ZINC000002830590 301688707 /nfs/dbraw/zinc/68/87/07/301688707.db2.gz SFVTVZKKVGHSNH-UHFFFAOYSA-N 0 0 306.409 0.213 50 0 DCAARN Cc1ccccc1[C@H]1NC(=O)NC2=C1C(=O)N(C[C@@H](C)O)C2 ZINC000012346007 302226016 /nfs/dbraw/zinc/22/60/16/302226016.db2.gz YKGXZKRVJOOGKN-QMTHXVAHSA-N 0 0 301.346 0.826 50 0 DCAARN O=S1(=O)C[C@H](O)[C@H](N(Cc2ccco2)Cc2ccccn2)C1 ZINC000089268107 304796549 /nfs/dbraw/zinc/79/65/49/304796549.db2.gz NOADNOYAQSYCAU-CABCVRRESA-N 0 0 322.386 0.835 50 0 DCAARN CN(CC(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)S(C)(=O)=O ZINC000075094485 331947409 /nfs/dbraw/zinc/94/74/09/331947409.db2.gz DODYQFHUUGSBBZ-JTQLQIEISA-N 0 0 320.411 0.211 50 0 DCAARN CN1CC[NH+](CC2(CNC(=O)c3ccc(CO)o3)CC2)CC1 ZINC000534588264 334293018 /nfs/dbraw/zinc/29/30/18/334293018.db2.gz DBVWLRGRIWWKDG-UHFFFAOYSA-N 0 0 307.394 0.529 50 0 DCAARN CCCn1nccc1S(=O)(=O)N[C@H](C)CN1CCOCC1 ZINC000534590715 334294091 /nfs/dbraw/zinc/29/40/91/334294091.db2.gz ZGFDDSMPFWPEDM-GFCCVEGCSA-N 0 0 316.427 0.292 50 0 DCAARN CC(C)n1cnnc1CN(C)C(=O)N[C@@H]1CC=CC[C@H]1C(N)=O ZINC000534635472 334309067 /nfs/dbraw/zinc/30/90/67/334309067.db2.gz AJKKHTADQJVKPJ-VXGBXAGGSA-N 0 0 320.397 0.821 50 0 DCAARN CC(=O)N1CCO[C@@H](CNC(=O)c2cccc3ccnn32)C1 ZINC000534666895 334319207 /nfs/dbraw/zinc/31/92/07/334319207.db2.gz NHNKZXLIZZXZAK-ZDUSSCGKSA-N 0 0 302.334 0.311 50 0 DCAARN CC(=O)c1c(C)nn(CC(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)c1C ZINC000534663939 334323239 /nfs/dbraw/zinc/32/32/39/334323239.db2.gz UPOWOMFHFFVEFK-CHWSQXEVSA-N 0 0 318.377 0.639 50 0 DCAARN CCOC(=O)CSc1nc(C)c(Br)c(=O)n1N ZINC000071405910 334876143 /nfs/dbraw/zinc/87/61/43/334876143.db2.gz OCTQCMKQMJXSCF-UHFFFAOYSA-N 0 0 322.184 0.683 50 0 DCAARN C[C@H](NC(=O)N[C@H]1CCN(CC(F)(F)F)C1)C(=O)N(C)C ZINC000144306484 337383517 /nfs/dbraw/zinc/38/35/17/337383517.db2.gz QGWRBWJNAVPIHJ-IUCAKERBSA-N 0 0 310.320 0.399 50 0 DCAARN Cc1ccn(CC(=O)NC[C@H](O)C(=O)OCc2ccccc2)n1 ZINC000408519575 534335582 /nfs/dbraw/zinc/33/55/82/534335582.db2.gz YDHXIVSAVSHOBC-AWEZNQCLSA-N 0 0 317.345 0.412 50 0 DCAARN COc1ncnc(OC)c1C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000172213964 518171938 /nfs/dbraw/zinc/17/19/38/518171938.db2.gz OUCNBHILCWFPFO-SECBINFHSA-N 0 0 303.322 0.504 50 0 DCAARN Cc1nnnn1CCC(=O)NCCc1noc(C(F)(F)F)n1 ZINC000299761475 534873973 /nfs/dbraw/zinc/87/39/73/534873973.db2.gz RTUUKVPJNLXVFF-UHFFFAOYSA-N 0 0 319.247 0.132 50 0 DCAARN Cc1c(CNS(=O)(=O)c2cccc3c2OCCO3)cnn1C ZINC000152581375 525725686 /nfs/dbraw/zinc/72/56/86/525725686.db2.gz ZNZYXJRQOGMHNF-UHFFFAOYSA-N 0 0 323.374 0.978 50 0 DCAARN O=C1[C@H](n2nc3cnccn3c2=O)CCN1CC(F)(F)F ZINC000185545964 527117164 /nfs/dbraw/zinc/11/71/64/527117164.db2.gz UXXMRUUJHUANNF-SSDOTTSWSA-N 0 0 301.228 0.227 50 0 DCAARN CC(C)n1ncc2c1C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)CC2 ZINC000330835341 528656135 /nfs/dbraw/zinc/65/61/35/528656135.db2.gz WLTIZDAYUARVBY-CMPLNLGQSA-N 0 0 313.423 0.871 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ncccc1O ZINC000298147347 528809607 /nfs/dbraw/zinc/80/96/07/528809607.db2.gz GPKDRDRRADDXDZ-JTQLQIEISA-N 0 0 313.379 0.930 50 0 DCAARN CCN1CCN(C(=O)c2cnc(N3CCOCC3)nc2C)CC1 ZINC000021638734 545643487 /nfs/dbraw/zinc/64/34/87/545643487.db2.gz ALVUHDHEHPITGH-UHFFFAOYSA-N 0 0 319.409 0.399 50 0 DCAARN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NN1CCOCC1 ZINC000078362042 545679973 /nfs/dbraw/zinc/67/99/73/545679973.db2.gz VRAPMHHDDFSLLN-UHFFFAOYSA-N 0 0 321.421 0.682 50 0 DCAARN CC(C)(C)CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C ZINC000084169853 545699733 /nfs/dbraw/zinc/69/97/33/545699733.db2.gz JNMLZXHOVIJSLZ-SECBINFHSA-N 0 0 301.387 0.917 50 0 DCAARN CC[C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1N1CCOCC1 ZINC000084735809 545704309 /nfs/dbraw/zinc/70/43/09/545704309.db2.gz MRAXWXQXBXPZCA-HUUCEWRRSA-N 0 0 321.425 0.628 50 0 DCAARN COc1ccc([C@@H](O)CNC(=O)C(=O)NC(C)(C)C)cc1OC ZINC000211089007 545938022 /nfs/dbraw/zinc/93/80/22/545938022.db2.gz KVSVOMVILFMDBG-NSHDSACASA-N 0 0 324.377 0.768 50 0 DCAARN CCC(=O)NCCNC(=O)c1ccc(-c2nnn(C)n2)cc1 ZINC000216016589 545938382 /nfs/dbraw/zinc/93/83/82/545938382.db2.gz UHTRJNLCXQVXPZ-UHFFFAOYSA-N 0 0 302.338 0.133 50 0 DCAARN CC1(C)NC(=O)N(CC(=O)N2CCC[C@H](c3cc[nH]n3)C2)C1=O ZINC000215832008 545938994 /nfs/dbraw/zinc/93/89/94/545938994.db2.gz NYEUECNOOYJRIA-JTQLQIEISA-N 0 0 319.365 0.446 50 0 DCAARN Cc1ccccc1OC[C@H](O)C(=O)NCCN1CCCC1=O ZINC000215909456 545939189 /nfs/dbraw/zinc/93/91/89/545939189.db2.gz IGKGSPGQWUIXLM-ZDUSSCGKSA-N 0 0 306.362 0.473 50 0 DCAARN O=C(CCn1cnnn1)NCCc1cnn(-c2ccccc2)c1 ZINC000222747502 545942541 /nfs/dbraw/zinc/94/25/41/545942541.db2.gz JARFUIGYVGNVQE-UHFFFAOYSA-N 0 0 311.349 0.608 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cccc2c1OC(F)(F)O2 ZINC000585099637 546303336 /nfs/dbraw/zinc/30/33/36/546303336.db2.gz ZUIDVKCTYSOVKA-BDAKNGLRSA-N 0 0 300.261 0.429 50 0 DCAARN Cc1cnccc1C(=O)N1CCC2(CC1)N=C(N(C)C)NC2=O ZINC000670434389 547088290 /nfs/dbraw/zinc/08/82/90/547088290.db2.gz ATOIDDKPLUJWKY-UHFFFAOYSA-N 0 0 315.377 0.412 50 0 DCAARN CC(=O)NCc1nc(CC(N)=O)nn1CCc1ccccc1 ZINC000670433818 547088332 /nfs/dbraw/zinc/08/83/32/547088332.db2.gz BYGFPONSWVJSGB-UHFFFAOYSA-N 0 0 301.350 0.185 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)c3ccc4nnnn4c3)nc2c1 ZINC000670440567 547090794 /nfs/dbraw/zinc/09/07/94/547090794.db2.gz QAHAJLVJLPCKKT-UHFFFAOYSA-N 0 0 323.316 0.939 50 0 DCAARN O=C(NC1CCS(=O)(=O)CC1)c1ccccc1-c1nc[nH]n1 ZINC000670438302 547091133 /nfs/dbraw/zinc/09/11/33/547091133.db2.gz BMIHSRHHEUEETG-UHFFFAOYSA-N 0 0 320.374 0.779 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(N)=O)cs2)CCN1C ZINC000670440587 547091151 /nfs/dbraw/zinc/09/11/51/547091151.db2.gz VHBZPQFWVZTWAK-MRVPVSSYSA-N 0 0 303.409 0.172 50 0 DCAARN O=S(=O)(CCN1C[C@H](O)[C@@H](N2CCCC2)C1)c1ccccc1 ZINC000670471672 547101139 /nfs/dbraw/zinc/10/11/39/547101139.db2.gz MAPFDXLQGZAAJH-HOTGVXAUSA-N 0 0 324.446 0.601 50 0 DCAARN Cc1nnc([C@@H]2OCC[C@@H]2NC(=O)c2cc(C3CC3)n(C)n2)[nH]1 ZINC000685941546 548746932 /nfs/dbraw/zinc/74/69/32/548746932.db2.gz DBDUWCWLMUTQSB-GXFFZTMASA-N 0 0 316.365 0.984 50 0 DCAARN Cc1nn(-c2ccc3nncn3n2)c(N)c1[C@@H](O)C(F)(F)F ZINC000205649849 563466791 /nfs/dbraw/zinc/46/67/91/563466791.db2.gz SEJHFNLJHCELOP-DTWKUNHWSA-N 0 0 313.243 0.837 50 0 DCAARN CCO[C@@H]1C[C@@H](NC(=O)NN2CCCC2=O)C12CCOCC2 ZINC000888097248 661176418 /nfs/dbraw/zinc/17/64/18/661176418.db2.gz AGVOITLSTPJMPH-VXGBXAGGSA-N 0 0 311.382 0.797 50 0 DCAARN CCC(CC)(C(=O)N[C@@H](CO)C(=O)OC)C(=O)OC(C)(C)C ZINC000585090290 661465382 /nfs/dbraw/zinc/46/53/82/661465382.db2.gz HDBIOHNAAKXTBT-JTQLQIEISA-N 0 0 317.382 0.785 50 0 DCAARN C[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C[C@H]1C(=O)[O-] ZINC000426503616 661606729 /nfs/dbraw/zinc/60/67/29/661606729.db2.gz VQUZMGIZBFILEG-JSGCOSHPSA-N 0 0 314.345 0.759 50 0 DCAARN Cc1nc2cccc(C(=O)N3CCN4CCNC(=O)[C@@H]4C3)c2[nH]1 ZINC000067805343 663227246 /nfs/dbraw/zinc/22/72/46/663227246.db2.gz JSPDXACJNQYTJB-ZDUSSCGKSA-N 0 0 313.361 0.128 50 0 DCAARN COc1ccc(CCNC(=O)C[C@@H]2CC(=O)NC2=O)cc1F ZINC000874962357 665254254 /nfs/dbraw/zinc/25/42/54/665254254.db2.gz BNBRDMFJAIVCIA-SNVBAGLBSA-N 0 0 308.309 0.546 50 0 DCAARN Cc1onc(NC(=O)N2CCC[C@@](O)(CC(=O)N(C)C)C2)c1C ZINC000585088710 666171203 /nfs/dbraw/zinc/17/12/03/666171203.db2.gz YBNNXGMUGKGCRL-OAHLLOKOSA-N 0 0 324.381 1.129 50 0 DCAARN Cc1cc(C)n(CCNC(=O)c2cn(C[C@H]3CCCO3)nn2)n1 ZINC000012457646 666652542 /nfs/dbraw/zinc/65/25/42/666652542.db2.gz HPNSHYGEKADHLI-CYBMUJFWSA-N 0 0 318.381 0.700 50 0 DCAARN CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000818027187 670962619 /nfs/dbraw/zinc/96/26/19/670962619.db2.gz UGYPNJCSYPVOKF-NTZNESFSSA-N 0 0 324.381 0.588 50 0 DCAARN CCC(=O)N1CCC(C(=O)N[C@]2(C)CCS(=O)(=O)C2)CC1 ZINC000952962235 685598272 /nfs/dbraw/zinc/59/82/72/685598272.db2.gz BDGQPNSYGVVMCN-CQSZACIVSA-N 0 0 316.423 0.328 50 0 DCAARN CN(C)c1ncc(/C=C/C(=O)NC2(C(N)=O)CCCC2)cn1 ZINC000952963055 685598519 /nfs/dbraw/zinc/59/85/19/685598519.db2.gz HIXSQEAZEYXUGB-AATRIKPKSA-N 0 0 303.366 0.470 50 0 DCAARN NC(=O)N1CCC[C@H]1C(=O)N1CCC(Oc2cccnc2)CC1 ZINC000952966643 685598895 /nfs/dbraw/zinc/59/88/95/685598895.db2.gz ISTWZRMTZSOMSA-AWEZNQCLSA-N 0 0 318.377 0.995 50 0 DCAARN NC(=O)CN1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccccn2)C1 ZINC000952971295 685599702 /nfs/dbraw/zinc/59/97/02/685599702.db2.gz XQXBTBUJBUTISY-HIFRSBDPSA-N 0 0 316.405 0.942 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)N1CCN2C(=O)OC[C@H]2C1 ZINC000952971841 685599765 /nfs/dbraw/zinc/59/97/65/685599765.db2.gz MOIVIPHLHVDDAW-SNVBAGLBSA-N 0 0 317.301 0.258 50 0 DCAARN CC(=O)NCC(=O)Nc1ccc(C)c(NC(=O)CN(C)C)c1 ZINC000952972658 685600418 /nfs/dbraw/zinc/60/04/18/685600418.db2.gz LEZBLRUZWQONJK-UHFFFAOYSA-N 0 0 306.366 0.570 50 0 DCAARN CC(C)n1cnnc1CN(C)C(=O)/C=C/c1cnc(N)nc1 ZINC000952984006 685601801 /nfs/dbraw/zinc/60/18/01/685601801.db2.gz SJMSDCDDEKAWEN-SNAWJCMRSA-N 0 0 301.354 0.903 50 0 DCAARN CCS(=O)(=O)[C@H](C)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000952984830 685601957 /nfs/dbraw/zinc/60/19/57/685601957.db2.gz SOVJOZIDLANBRO-SECBINFHSA-N 0 0 316.345 0.516 50 0 DCAARN COc1ccc(-n2cnnc2)cc1NC(=O)CCn1cnnc1 ZINC000952982205 685602064 /nfs/dbraw/zinc/60/20/64/685602064.db2.gz VUNQSRBSVBWHQP-UHFFFAOYSA-N 0 0 313.321 0.896 50 0 DCAARN CC[C@@H]1C=CCN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000952989298 685602818 /nfs/dbraw/zinc/60/28/18/685602818.db2.gz RHIJJUSSFROJAX-SNVBAGLBSA-N 0 0 316.404 0.673 50 0 DCAARN CN1CC(=O)N2CCN(C(=O)c3ccccc3Cl)C[C@@H]2C1=O ZINC000014750237 685048339 /nfs/dbraw/zinc/04/83/39/685048339.db2.gz HQMXMDYTHHXIGE-GFCCVEGCSA-N 0 0 321.764 0.465 50 0 DCAARN CCN(CC)c1ncccc1CNC(=O)CN1CCOC1=O ZINC000014966415 685050233 /nfs/dbraw/zinc/05/02/33/685050233.db2.gz VSKKCYYXDYWTDR-UHFFFAOYSA-N 0 0 306.366 0.996 50 0 DCAARN O=C(Cn1nnnc1CN1CCCCCC1)NC[C@@H]1CCCO1 ZINC000015074353 685050297 /nfs/dbraw/zinc/05/02/97/685050297.db2.gz URMZDKSRYOBZMR-ZDUSSCGKSA-N 0 0 322.413 0.344 50 0 DCAARN COCc1noc(Cn2ncc(N3CCCCC3)cc2=O)n1 ZINC000020455345 685051642 /nfs/dbraw/zinc/05/16/42/685051642.db2.gz GQIPTIFFBBEWLA-UHFFFAOYSA-N 0 0 305.338 0.811 50 0 DCAARN CCCc1cnc(C)nc1N1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000065435267 685064264 /nfs/dbraw/zinc/06/42/64/685064264.db2.gz JXICVSJVRXUQRI-UHFFFAOYSA-N 0 0 315.381 0.818 50 0 DCAARN C=CCN1C[C@@]2(C(=O)[O-])C[N@H+](Cc3coc(C)n3)C[C@H]2C1=O ZINC000077390453 685080118 /nfs/dbraw/zinc/08/01/18/685080118.db2.gz WBXKUUCLFHGXRY-WFASDCNBSA-N 0 0 305.334 0.514 50 0 DCAARN Cc1nnc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)[nH]1 ZINC000091745292 685106008 /nfs/dbraw/zinc/10/60/08/685106008.db2.gz IXTWBLAGGGVEJJ-UHFFFAOYSA-N 0 0 321.425 0.700 50 0 DCAARN O=C(CCc1[nH]nc2c1CCCC2)N1CCC([C@H](O)CO)CC1 ZINC001772704015 1157842776 /nfs/dbraw/zinc/84/27/76/1157842776.db2.gz HRAUDJYLDJCZFS-MRXNPFEDSA-N 0 0 321.421 0.813 50 0 DCAARN CNc1nc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)cs1 ZINC001704300291 1179964327 /nfs/dbraw/zinc/96/43/27/1179964327.db2.gz RFLFQMHNFAJXEB-BXKDBHETSA-N 0 0 319.390 0.650 50 0 DCAARN Cc1nc(N)ncc1C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 ZINC001704300233 1179964547 /nfs/dbraw/zinc/96/45/47/1179964547.db2.gz QEEOVNKGXOTKER-TZMCWYRMSA-N 0 0 313.361 0.750 50 0 DCAARN Nc1ncc(C(=O)N2C[C@@H](Cc3ccccn3)[C@H](O)C2)s1 ZINC001704297928 1179965058 /nfs/dbraw/zinc/96/50/58/1179965058.db2.gz BGVVKIWZHPFGST-MWLCHTKSSA-N 0 0 304.375 0.796 50 0 DCAARN Cc1nn(C)c(C)c1CN1C[C@H]2COC[C@@H]1C[N@H+](CC(=O)[O-])C2 ZINC001704304221 1179965729 /nfs/dbraw/zinc/96/57/29/1179965729.db2.gz BIGLNKMXROTITK-KBPBESRZSA-N 0 0 322.409 0.254 50 0 DCAARN Cc1cc(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[N@H+](C)[C@@H]3C2)n(C)n1 ZINC001704306479 1179968461 /nfs/dbraw/zinc/96/84/61/1179968461.db2.gz UYWMQCKIVDVTAI-CJNGLKHVSA-N 0 0 320.393 0.740 50 0 DCAARN O=C([O-])C[N@@H+]1C[C@H]2COC[C@@H]1CN(c1ncccc1Cl)C2 ZINC001704311508 1179968921 /nfs/dbraw/zinc/96/89/21/1179968921.db2.gz MNYOKOPNWGMBKG-MNOVXSKESA-N 0 0 311.769 0.957 50 0 DCAARN Cc1cc(C)nc(SCC(=O)N(CCO)Cc2ncc[nH]2)n1 ZINC001704313682 1179969310 /nfs/dbraw/zinc/96/93/10/1179969310.db2.gz NCIHIPSRWMHHFZ-UHFFFAOYSA-N 0 0 321.406 0.930 50 0 DCAARN Cc1nc(CN(CCO)C(=O)CCCN2CCCC2=O)c[nH]1 ZINC001704312052 1179969383 /nfs/dbraw/zinc/96/93/83/1179969383.db2.gz YCJFNTTXXSVKHK-UHFFFAOYSA-N 0 0 308.382 0.442 50 0 DCAARN Cc1ccsc1C(=O)N1C[C@H]2COC[C@@H]1C[N@H+](CC(=O)[O-])C2 ZINC001704316438 1179971343 /nfs/dbraw/zinc/97/13/43/1179971343.db2.gz PIVUDMWZKCSSLA-RYUDHWBXSA-N 0 0 324.402 0.914 50 0 DCAARN CCCc1nc(N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)no1 ZINC001704330783 1179974663 /nfs/dbraw/zinc/97/46/63/1179974663.db2.gz JYLPXHARCINWBW-GXTWGEPZSA-N 0 0 311.382 0.893 50 0 DCAARN CC(=O)N1CCO[C@@H](CNc2nc(C)c(C)cc2C(N)=O)C1 ZINC001704336300 1179977175 /nfs/dbraw/zinc/97/71/75/1179977175.db2.gz FQCKWLSBGPFGBA-LBPRGKRZSA-N 0 0 306.366 0.457 50 0 DCAARN CO[C@H]1COCC[C@@H]1Nc1cncc(C(=O)N2CCCC2)n1 ZINC001704340029 1179978647 /nfs/dbraw/zinc/97/86/47/1179978647.db2.gz CPFFOARNCZZBIY-AAEUAGOBSA-N 0 0 306.366 0.928 50 0 DCAARN Cc1cccc(C(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)n1 ZINC001704342652 1179980157 /nfs/dbraw/zinc/98/01/57/1179980157.db2.gz AYNMKFUOBUKJEU-JKSUJKDBSA-N 0 0 320.389 0.897 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cnc(N)s3)C[C@H]2O)[nH]n1 ZINC001704344146 1179980687 /nfs/dbraw/zinc/98/06/87/1179980687.db2.gz OKHFQYBSWKDXEN-PSASIEDQSA-N 0 0 307.379 0.432 50 0 DCAARN Nc1nc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)cs1 ZINC001704357149 1179984768 /nfs/dbraw/zinc/98/47/68/1179984768.db2.gz CMBBCWOLVPJWCT-LDYMZIIASA-N 0 0 305.363 0.191 50 0 DCAARN CC1=CC2(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)OCC1 ZINC001704358423 1179984815 /nfs/dbraw/zinc/98/48/15/1179984815.db2.gz LECUWFWARCCTMU-LBPRGKRZSA-N 0 0 321.377 0.702 50 0 DCAARN Cn1ncc(N2CC[C@@H](C(=O)NCc3cccnc3)C2)cc1=O ZINC000581792865 747685928 /nfs/dbraw/zinc/68/59/28/747685928.db2.gz RPWBWWAKWPTZGA-CYBMUJFWSA-N 0 0 313.361 0.318 50 0 DCAARN CC(=O)Nc1ccc(C(=O)NCCn2cccnc2=O)cc1 ZINC000675008012 748025107 /nfs/dbraw/zinc/02/51/07/748025107.db2.gz MXNALRPINIITGZ-UHFFFAOYSA-N 0 0 300.318 0.632 50 0 DCAARN COc1ccc(S(=O)(=O)N2CC[C@@]3(CCC(=O)N3)C2)cc1 ZINC000675018412 748027119 /nfs/dbraw/zinc/02/71/19/748027119.db2.gz XYBFHBZNXFCIAJ-AWEZNQCLSA-N 0 0 310.375 0.738 50 0 DCAARN CCN(C)S(=O)(=O)N1CCC2(CCC(=O)N(C)C2)CC1 ZINC000823086694 758222129 /nfs/dbraw/zinc/22/21/29/758222129.db2.gz UWWPLLNNUJSHIU-UHFFFAOYSA-N 0 0 303.428 0.517 50 0 DCAARN CCc1cc(NCCc2nc(N)cc(=O)[nH]2)nc(N(C)C)[nH+]1 ZINC000823503702 758251405 /nfs/dbraw/zinc/25/14/05/758251405.db2.gz IIPODKUQYGQBAW-UHFFFAOYSA-N 0 0 303.370 0.837 50 0 DCAARN Cc1csc(S(=O)(=O)NC[C@@H]2CN(C)C(=O)CO2)c1 ZINC000823755826 758264930 /nfs/dbraw/zinc/26/49/30/758264930.db2.gz YXXKKKXTYVNFAE-SECBINFHSA-N 0 0 304.393 0.192 50 0 DCAARN COC(=O)N[C@H](C)c1nc(CC(N)=O)nn1-c1cc(C)ccn1 ZINC000824155865 758760371 /nfs/dbraw/zinc/76/03/71/758760371.db2.gz GSDGQCGFNDKASK-SECBINFHSA-N 0 0 318.337 0.416 50 0 DCAARN COC[C@@H]1CCCN(S(=O)(=O)NCc2cnn(C)c2C)C1 ZINC000824370192 758770760 /nfs/dbraw/zinc/77/07/60/758770760.db2.gz JUMKNUJYFSFIOF-GFCCVEGCSA-N 0 0 316.427 0.421 50 0 DCAARN CSc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](O)C2)cc1 ZINC000824936276 758792354 /nfs/dbraw/zinc/79/23/54/758792354.db2.gz VWZHXSHMDDMJNG-RYUDHWBXSA-N 0 0 303.405 0.525 50 0 DCAARN CN(Cc1nncn1C)S(=O)(=O)N(C)Cc1ccccc1 ZINC000825647666 758811906 /nfs/dbraw/zinc/81/19/06/758811906.db2.gz FMGPTNRWBYAYQT-UHFFFAOYSA-N 0 0 309.395 0.624 50 0 DCAARN Cc1ncsc1CCN(C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000827883282 758897341 /nfs/dbraw/zinc/89/73/41/758897341.db2.gz BPPFQHSEIKENIX-JTQLQIEISA-N 0 0 317.436 0.823 50 0 DCAARN CCS(=O)(=O)N1CC(c2nc(CCOCC3CC3)no2)C1 ZINC000581809620 760254655 /nfs/dbraw/zinc/25/46/55/760254655.db2.gz QOBDHEICTPHSTD-UHFFFAOYSA-N 0 0 315.395 0.788 50 0 DCAARN Cc1ccc(=O)n(CC2CN(c3ncnc4c3cnn4C)C2)n1 ZINC000585603068 768081899 /nfs/dbraw/zinc/08/18/99/768081899.db2.gz HAUMGXWDCRNWEP-UHFFFAOYSA-N 0 0 311.349 0.365 50 0 DCAARN CNC(=O)[C@@H](O)CNc1nnc(-c2cccc(F)c2)cc1C ZINC000585083227 766268545 /nfs/dbraw/zinc/26/85/45/766268545.db2.gz CPPNWWSDXYVEJR-ZDUSSCGKSA-N 0 0 304.325 1.110 50 0 DCAARN CN(CC(=O)Nc1cnc(C(F)(F)F)nc1)S(C)(=O)=O ZINC000585125399 766288577 /nfs/dbraw/zinc/28/85/77/766288577.db2.gz QRIGWSJMYABPRE-UHFFFAOYSA-N 0 0 312.273 0.325 50 0 DCAARN O=C(NC[C@]1(CO)COCCN1)c1cc(F)c(F)c(F)c1F ZINC000585128553 766290265 /nfs/dbraw/zinc/29/02/65/766290265.db2.gz FHSMNXFTMCFRRV-ZDUSSCGKSA-N 0 0 322.258 0.324 50 0 DCAARN O=C(NC[C@H](O)CN1CCOCC1)c1coc2cccc(O)c21 ZINC000585131866 766292761 /nfs/dbraw/zinc/29/27/61/766292761.db2.gz INIRFRRIRGEUAN-NSHDSACASA-N 0 0 320.345 0.561 50 0 DCAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1nnc(C(N)=O)n1 ZINC000585133108 766292842 /nfs/dbraw/zinc/29/28/42/766292842.db2.gz SZUMKMDVGSJAKZ-MXWKQRLJSA-N 0 0 309.370 0.776 50 0 DCAARN C[C@H]1COc2ccccc2CN1C(=O)CNS(=O)(=O)C1CC1 ZINC000952845062 768910195 /nfs/dbraw/zinc/91/01/95/768910195.db2.gz RLZXLMSNQUYTPX-NSHDSACASA-N 0 0 324.402 0.878 50 0 DCAARN O=C(CCC(=O)Nc1cccc(F)c1)NCC(=O)NC1CC1 ZINC000952868284 768924181 /nfs/dbraw/zinc/92/41/81/768924181.db2.gz IJVNFWNWNPVZBY-UHFFFAOYSA-N 0 0 307.325 0.939 50 0 DCAARN CC(C)Cc1cc(C(=O)N2CCS(=O)(=O)CC2)nc(N)n1 ZINC000952870345 768926171 /nfs/dbraw/zinc/92/61/71/768926171.db2.gz XDTXMYQCBBMLBA-UHFFFAOYSA-N 0 0 312.395 0.128 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](CNC(=O)C2CCOCC2)C1 ZINC000952871680 768933537 /nfs/dbraw/zinc/93/35/37/768933537.db2.gz AXWXIMYMAVPQBN-GFCCVEGCSA-N 0 0 318.439 0.591 50 0 DCAARN COCC(C)(C)C(=O)NCc1ccc(S(C)(=O)=O)nc1 ZINC000952882608 768950169 /nfs/dbraw/zinc/95/01/69/768950169.db2.gz NJHYHCIZDRNBBG-UHFFFAOYSA-N 0 0 300.380 0.774 50 0 DCAARN Cc1c(NC(=O)CCS(C)(=O)=O)c(N2CCCC2)nn1C ZINC001529167968 1014511293 /nfs/dbraw/zinc/51/12/93/1014511293.db2.gz SLLVJFFECIDFJG-UHFFFAOYSA-N 0 0 314.411 0.702 50 0 DCAARN CCC(=O)NCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 ZINC001529153827 1014509933 /nfs/dbraw/zinc/50/99/33/1014509933.db2.gz VWOHHTJOXIKMMT-CZUORRHYSA-N 0 0 306.362 0.474 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)Cn3ccnc3C)C[C@@H]2O)on1 ZINC001529189084 1014517639 /nfs/dbraw/zinc/51/76/39/1014517639.db2.gz FMNQBLRUIRDZAF-OCCSQVGLSA-N 0 0 304.350 0.550 50 0 DCAARN CNS(=O)(=O)CCNC(=O)C(C)(C)Nc1ccc(C)cc1 ZINC001506418352 1017262391 /nfs/dbraw/zinc/26/23/91/1017262391.db2.gz QNBALAXPAUKEGU-UHFFFAOYSA-N 0 0 313.423 0.851 50 0 DCAARN CCS(=O)(=O)CCNC(=O)c1cc(C(C)C)nc(N)n1 ZINC001506420488 1017265952 /nfs/dbraw/zinc/26/59/52/1017265952.db2.gz FRLUHICJENEJIT-UHFFFAOYSA-N 0 0 300.384 0.347 50 0 DCAARN Cc1[nH]nc2c1CN(c1nccc(N3CC[C@@H](O)C3)n1)CC2 ZINC001506424319 1017266164 /nfs/dbraw/zinc/26/61/64/1017266164.db2.gz ZUPWPTYFPNFWMG-LLVKDONJSA-N 0 0 300.366 0.642 50 0 DCAARN COC[C@H]1CCCN(S(=O)(=O)NCCCn2ccnc2)C1 ZINC001506427314 1017269360 /nfs/dbraw/zinc/26/93/60/1017269360.db2.gz LXEWODKPHDBNOW-ZDUSSCGKSA-N 0 0 316.427 0.466 50 0 DCAARN COc1cc(N2CCC(c3nnc(CO)n3C)CC2)nc(N)n1 ZINC001506402431 1017255731 /nfs/dbraw/zinc/25/57/31/1017255731.db2.gz NCCCPINEFTXNRZ-UHFFFAOYSA-N 0 0 319.369 0.072 50 0 DCAARN C[C@H]1CN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CCO1 ZINC000074614091 185003137 /nfs/dbraw/zinc/00/31/37/185003137.db2.gz RFCDUXKQPNNRRZ-STQMWFEESA-N 0 0 307.398 0.819 50 0 DCAARN CN1C(=O)c2ccc(C(=O)N[C@@H]3C=C[C@H](CO)C3)cc2C1=O ZINC000081765672 192321361 /nfs/dbraw/zinc/32/13/61/192321361.db2.gz KAMIESFSYRKQDY-GXSJLCMTSA-N 0 0 300.314 0.579 50 0 DCAARN CC(=O)N1CCC[C@H](C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000074686051 185009641 /nfs/dbraw/zinc/00/96/41/185009641.db2.gz ODXDNYFQSUIVKW-AWEZNQCLSA-N 0 0 317.393 0.384 50 0 DCAARN COc1cc(OC)cc(N2C(=O)C[C@H](N3CCOCC3)C2=O)c1 ZINC000095483052 185373761 /nfs/dbraw/zinc/37/37/61/185373761.db2.gz BGFOYAGBMXNBLR-AWEZNQCLSA-N 0 0 320.345 0.668 50 0 DCAARN Cc1ccc(C(N)=O)cc1NC(=O)N1CCC(=O)NC[C@H]1C ZINC000095499560 185374676 /nfs/dbraw/zinc/37/46/76/185374676.db2.gz ZVCFRCDLNUCNIW-SNVBAGLBSA-N 0 0 304.350 0.836 50 0 DCAARN COc1cccc2c1OC[C@H](CNC(=O)CCn1cnnn1)C2 ZINC000095508304 185375782 /nfs/dbraw/zinc/37/57/82/185375782.db2.gz CEWBJCQILSUBJD-NSHDSACASA-N 0 0 317.349 0.439 50 0 DCAARN COc1nn(C)cc1C(=O)N1CC[C@@H](Oc2cccnn2)C1 ZINC000225413092 201705182 /nfs/dbraw/zinc/70/51/82/201705182.db2.gz JCAYGCCHBGLBIQ-SNVBAGLBSA-N 0 0 303.322 0.512 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000028058243 290629748 /nfs/dbraw/zinc/62/97/48/290629748.db2.gz BXWODIQGKAEIJW-WDEREUQCSA-N 0 0 312.391 0.844 50 0 DCAARN Cn1cc(CCN2CCO[C@H](CNc3cccnn3)C2)cn1 ZINC000078894053 185124027 /nfs/dbraw/zinc/12/40/27/185124027.db2.gz WGBXNTPUIUCMFM-CQSZACIVSA-N 0 0 302.382 0.566 50 0 DCAARN COC(=O)c1ncn(CC(=O)N(C)Cc2ccccc2F)n1 ZINC000078995582 185142961 /nfs/dbraw/zinc/14/29/61/185142961.db2.gz YVEQDZMZXJVBFQ-UHFFFAOYSA-N 0 0 306.297 0.862 50 0 DCAARN Cc1nc([C@H]2CCCN(C(=O)CN3CCOC3=O)C2)cc(=O)[nH]1 ZINC000082157387 185173967 /nfs/dbraw/zinc/17/39/67/185173967.db2.gz PKHUGRFKYLQWJQ-NSHDSACASA-N 0 0 320.349 0.237 50 0 DCAARN CCC[C@H](NC(=O)[C@@H]1CNC(=O)N1)c1nnc2ccccn21 ZINC000089949784 185271289 /nfs/dbraw/zinc/27/12/89/185271289.db2.gz XJIWMKYUHRZZTD-UWVGGRQHSA-N 0 0 302.338 0.368 50 0 DCAARN COc1ncc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cn1 ZINC000090607746 185306374 /nfs/dbraw/zinc/30/63/74/185306374.db2.gz MOSAIFFQFWKNFG-UHFFFAOYSA-N 0 0 314.367 0.095 50 0 DCAARN CCNC(=O)CN1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 ZINC000082098715 192354708 /nfs/dbraw/zinc/35/47/08/192354708.db2.gz MZOHXLVPULGWLY-INIZCTEOSA-N 0 0 315.417 0.997 50 0 DCAARN CC[C@H](C)[C@@H](NC(=O)CSc1nnc(N)s1)C(=O)OC ZINC000008066757 190630252 /nfs/dbraw/zinc/63/02/52/190630252.db2.gz USOHNYXZPMRDRX-POYBYMJQSA-N 0 0 318.424 0.916 50 0 DCAARN CCCC[C@H]1C(=O)N(C)CCN1C(=O)CCCn1cncn1 ZINC000082136757 192360775 /nfs/dbraw/zinc/36/07/75/192360775.db2.gz MIORDUUFTPOMBL-ZDUSSCGKSA-N 0 0 307.398 0.918 50 0 DCAARN COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C ZINC000019619333 545643557 /nfs/dbraw/zinc/64/35/57/545643557.db2.gz YVHOSFMTRMHICC-UHFFFAOYSA-N 0 0 314.407 0.614 50 0 DCAARN CCc1ccnc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c1 ZINC000181480726 199304544 /nfs/dbraw/zinc/30/45/44/199304544.db2.gz NBWNCELFWZEBGM-BZNIZROVSA-N 0 0 316.361 0.752 50 0 DCAARN CC(=O)c1csc(C(=O)N2CCn3c(nn(C)c3=O)C2)c1 ZINC000095446885 185367747 /nfs/dbraw/zinc/36/77/47/185367747.db2.gz BWMWPXRTWMOAEC-UHFFFAOYSA-N 0 0 306.347 0.502 50 0 DCAARN O=C(NCCCC(=O)N(CCO)CCO)OCc1ccccc1 ZINC000095441842 185366381 /nfs/dbraw/zinc/36/63/81/185366381.db2.gz WOBNRAONADBBDS-UHFFFAOYSA-N 0 0 324.377 0.506 50 0 DCAARN CC[C@H](CO)NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000095456311 185370028 /nfs/dbraw/zinc/37/00/28/185370028.db2.gz ZDEXEIZTRVOVNN-SECBINFHSA-N 0 0 311.363 0.239 50 0 DCAARN O=C(NCCCn1ccnn1)c1ccccc1N1CCOCC1 ZINC000182950445 199515004 /nfs/dbraw/zinc/51/50/04/199515004.db2.gz RTMFWITZAUTQOQ-UHFFFAOYSA-N 0 0 315.377 0.935 50 0 DCAARN CNC(=O)C1CCN(C(=O)[C@H](C)N(C)CC(F)(F)F)CC1 ZINC000330743126 529842171 /nfs/dbraw/zinc/84/21/71/529842171.db2.gz QXKWYURLEYFMHC-VIFPVBQESA-N 0 0 309.332 0.854 50 0 DCAARN COC[C@@H](NC(=O)c1cc(Cl)c[nH]c1=O)c1ccnn1C ZINC000067673906 190714239 /nfs/dbraw/zinc/71/42/39/190714239.db2.gz KUYCFIWHQRQJIV-SNVBAGLBSA-N 0 0 310.741 0.879 50 0 DCAARN COCc1nc([C@@H]2COCCN2C(=O)CC(C)(C)OC)no1 ZINC000330941776 232189279 /nfs/dbraw/zinc/18/92/79/232189279.db2.gz DGDKGMVVJXFHNH-JTQLQIEISA-N 0 0 313.354 0.931 50 0 DCAARN Cc1noc(C)c1C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000069708105 190807383 /nfs/dbraw/zinc/80/73/83/190807383.db2.gz FLTOTODDTPHVLC-LLVKDONJSA-N 0 0 315.395 0.835 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCOc2ccccc21 ZINC000047595147 295778380 /nfs/dbraw/zinc/77/83/80/295778380.db2.gz MIPLVTJPPIPAER-PWSUYJOCSA-N 0 0 310.375 0.997 50 0 DCAARN C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@H]1CCOC1 ZINC000083967095 192392831 /nfs/dbraw/zinc/39/28/31/192392831.db2.gz DPJPLGBZCWXPTO-UWVGGRQHSA-N 0 0 302.334 0.586 50 0 DCAARN CN1C(=O)N[C@](NC(=O)c2ccccc2F)(C(F)(F)F)C1=O ZINC000002378990 282658077 /nfs/dbraw/zinc/65/80/77/282658077.db2.gz NGNBPGQOTWPRCI-NSHDSACASA-N 0 0 319.214 0.996 50 0 DCAARN CN(C[C@@H]1COCCO1)S(=O)(=O)NCc1ccccc1 ZINC000071747482 191021109 /nfs/dbraw/zinc/02/11/09/191021109.db2.gz SRTVRSIFUFCMHS-CYBMUJFWSA-N 0 0 300.380 0.368 50 0 DCAARN CC(C)[C@@H]1CN(C(=O)Cn2cnnn2)CCC(=O)N1CC1CC1 ZINC000071750562 191021940 /nfs/dbraw/zinc/02/19/40/191021940.db2.gz WJXLSHFDUBBTGL-ZDUSSCGKSA-N 0 0 320.397 0.169 50 0 DCAARN CCCc1nnc(C(=O)N2CCc3c(c(CO)nn3C)C2)o1 ZINC000071754780 191024911 /nfs/dbraw/zinc/02/49/11/191024911.db2.gz XWRDKCCFRYUEQU-UHFFFAOYSA-N 0 0 305.338 0.446 50 0 DCAARN Cc1cc(C)cc(OCC(=O)N2CCCN(CC(N)=O)CC2)c1 ZINC000071829379 191030857 /nfs/dbraw/zinc/03/08/57/191030857.db2.gz JYPKBXMNCZEPHT-UHFFFAOYSA-N 0 0 319.405 0.702 50 0 DCAARN COCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 ZINC000072142056 191048986 /nfs/dbraw/zinc/04/89/86/191048986.db2.gz ADFPXUSMTHEEPT-AWEZNQCLSA-N 0 0 323.368 0.279 50 0 DCAARN O=C(CCn1cc(Cl)cn1)N1CCC[C@](O)(CO)CC1 ZINC000072143030 191049798 /nfs/dbraw/zinc/04/97/98/191049798.db2.gz XLGBEAIGCIZANT-CYBMUJFWSA-N 0 0 301.774 0.663 50 0 DCAARN CC(=O)c1ccc(N2CCN[C@H](C(=O)N3CCCC3)C2)nc1 ZINC000072146990 191052580 /nfs/dbraw/zinc/05/25/80/191052580.db2.gz ANNJLUVTWDLFFS-AWEZNQCLSA-N 0 0 302.378 0.685 50 0 DCAARN CCCc1nc(C)cc(N2CCN[C@@H](C(=O)NC3CC3)C2)n1 ZINC000072149853 191055283 /nfs/dbraw/zinc/05/52/83/191055283.db2.gz WYPJPHZAIROWHP-CYBMUJFWSA-N 0 0 303.410 0.794 50 0 DCAARN CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1 ZINC000072156843 191060294 /nfs/dbraw/zinc/06/02/94/191060294.db2.gz DOGBGYQAHHWDLF-GFCCVEGCSA-N 0 0 321.377 0.140 50 0 DCAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@](O)(CO)C2)c1C ZINC000072157770 191061129 /nfs/dbraw/zinc/06/11/29/191061129.db2.gz YOULCGJYRPEODU-INIZCTEOSA-N 0 0 324.377 0.768 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC(c2ccccn2)C1 ZINC000072171566 191069061 /nfs/dbraw/zinc/06/90/61/191069061.db2.gz CLWBCRXCNRQRON-ZDUSSCGKSA-N 0 0 309.391 0.431 50 0 DCAARN O[C@H]1CN(c2nc(-c3ccccc3)no2)C[C@@H]1N1CCOCC1 ZINC000072172864 191070007 /nfs/dbraw/zinc/07/00/07/191070007.db2.gz MTHOQBXVTGEUPR-KBPBESRZSA-N 0 0 316.361 0.618 50 0 DCAARN Cc1cc(C(=O)NCCNc2cn[nH]c(=O)c2Cl)nn1C ZINC000072239489 191082426 /nfs/dbraw/zinc/08/24/26/191082426.db2.gz IULZPDHPUDVILO-UHFFFAOYSA-N 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307.398 0.766 50 0 DCAARN Cc1nonc1CC(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 ZINC000253413973 186310465 /nfs/dbraw/zinc/31/04/65/186310465.db2.gz WCZBCDMKIZBIIZ-GLXFQSAKSA-N 0 0 305.338 0.282 50 0 DCAARN CCN1CCN(C(=O)CNc2nc([C@H](C)OC)ns2)CC1 ZINC000253396715 186305690 /nfs/dbraw/zinc/30/56/90/186305690.db2.gz KYDNLXFGGDIBTR-JTQLQIEISA-N 0 0 313.427 0.822 50 0 DCAARN O=C(Nc1ncccc1O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000040475464 304017237 /nfs/dbraw/zinc/01/72/37/304017237.db2.gz TVEYILSZPCYCSC-UHFFFAOYSA-N 0 0 320.330 0.223 50 0 DCAARN Cc1cc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)on1 ZINC000171905426 198005317 /nfs/dbraw/zinc/00/53/17/198005317.db2.gz YNHGIUHYUHWRHX-ZDUSSCGKSA-N 0 0 305.338 0.790 50 0 DCAARN CCCn1nc(Oc2nc(N(C)C)nc(N(C)C)n2)ccc1=O ZINC000000032927 180672438 /nfs/dbraw/zinc/67/24/38/180672438.db2.gz AGPGTSNKFTYINC-UHFFFAOYSA-N 0 0 319.369 0.763 50 0 DCAARN O[C@@H]1CO[C@@H](Nc2ccc(Br)cc2)[C@H](O)[C@@H]1O ZINC000000049988 180678015 /nfs/dbraw/zinc/67/80/15/180678015.db2.gz XNRPWNFGHKJOMI-GWOFURMSSA-N 0 0 304.140 0.300 50 0 DCAARN COc1cn(C)c(C(=O)Nc2ccc(C(N)=O)cc2)cc1=O ZINC000072405630 191151589 /nfs/dbraw/zinc/15/15/89/191151589.db2.gz AHYODXQXSDTZRR-UHFFFAOYSA-N 0 0 301.302 0.745 50 0 DCAARN CC(C)(O)CCc1cccc(C(=O)N2CCO[C@@H](C(N)=O)C2)c1 ZINC000072419608 191157430 /nfs/dbraw/zinc/15/74/30/191157430.db2.gz SQANBCQMCHYHSJ-CQSZACIVSA-N 0 0 320.389 0.716 50 0 DCAARN CCN1CC2(CC1=O)CCN(C(=O)CCCn1cncn1)CC2 ZINC000072432080 191164995 /nfs/dbraw/zinc/16/49/95/191164995.db2.gz ZYLZLCDKWLXCRU-UHFFFAOYSA-N 0 0 319.409 0.919 50 0 DCAARN CCC(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000072437748 191165443 /nfs/dbraw/zinc/16/54/43/191165443.db2.gz VQVYMUCSWQJQKT-UHFFFAOYSA-N 0 0 305.382 0.372 50 0 DCAARN CCOC(=O)C[C@H]1CCCCN1C(=O)Cc1cnc(C)[nH]c1=O ZINC000072429637 191163511 /nfs/dbraw/zinc/16/35/11/191163511.db2.gz KVTAJTQYZNCEDT-CYBMUJFWSA-N 0 0 321.377 0.955 50 0 DCAARN CC(C)(C)c1cc(C[N@@H+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)[nH]n1 ZINC000072448199 191169701 /nfs/dbraw/zinc/16/97/01/191169701.db2.gz CCAQZFIYLRRLJE-ZUZCIYMTSA-N 0 0 306.366 0.340 50 0 DCAARN O=C(NC1CCC(NC(=O)[C@@H]2CCCO2)CC1)[C@@H]1CCCO1 ZINC000000376065 180770642 /nfs/dbraw/zinc/77/06/42/180770642.db2.gz NGJSKOHPBMYWQM-HOAMVYINSA-N 0 0 310.394 0.888 50 0 DCAARN C[C@H](O)C(=O)N1CCN(C(=O)N[C@H](C2CC2)C(F)(F)F)CC1 ZINC000332112611 234514572 /nfs/dbraw/zinc/51/45/72/234514572.db2.gz FOQWWHZORKPYQU-WCBMZHEXSA-N 0 0 323.315 0.562 50 0 DCAARN CCOc1ncccc1C(=O)OCC(=O)NC(=O)NC(C)C ZINC000003350357 181009748 /nfs/dbraw/zinc/00/97/48/181009748.db2.gz CZXDVKLIFUUWAI-UHFFFAOYSA-N 0 0 309.322 0.871 50 0 DCAARN CC(=O)N1CCN(C(=O)C[C@@H]2OC(=O)c3ccccc32)CC1 ZINC000003360386 181011552 /nfs/dbraw/zinc/01/15/52/181011552.db2.gz BNAUHUMLQUDITK-AWEZNQCLSA-N 0 0 302.330 0.979 50 0 DCAARN COc1ccccc1CNC(=O)CSc1nc(N)nc(N)n1 ZINC000003393674 181014701 /nfs/dbraw/zinc/01/47/01/181014701.db2.gz XJEQSMCPHUEXOX-UHFFFAOYSA-N 0 0 320.378 0.453 50 0 DCAARN CCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000003459985 181022939 /nfs/dbraw/zinc/02/29/39/181022939.db2.gz NNUYAWIKKKNQIF-OAHLLOKOSA-N 0 0 318.333 0.299 50 0 DCAARN CN1C(=O)C(=C(N)COc2ccccc2Cl)C(=O)N(C)C1=O ZINC000004002691 181061444 /nfs/dbraw/zinc/06/14/44/181061444.db2.gz OATRDWLLUDRDDT-UHFFFAOYSA-N 0 0 323.736 0.982 50 0 DCAARN CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCc2ccccc21 ZINC000004101809 181073395 /nfs/dbraw/zinc/07/33/95/181073395.db2.gz ZHMOUTNSRXWUHD-ZDUSSCGKSA-N 0 0 324.402 0.515 50 0 DCAARN O=C(CSc1nc2n[nH]cc2c(=O)[nH]1)NCc1ccco1 ZINC000004249661 181087967 /nfs/dbraw/zinc/08/79/67/181087967.db2.gz AKQJINCWMLCVCN-UHFFFAOYSA-N 0 0 305.319 0.648 50 0 DCAARN O=c1[nH]cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000004270278 181089838 /nfs/dbraw/zinc/08/98/38/181089838.db2.gz SPIRYIZMKZVRBP-UHFFFAOYSA-N 0 0 311.275 0.005 50 0 DCAARN CCN1CCN(CC(=O)N2CCCc3ccccc32)C(=O)C1=O ZINC000004326231 181097932 /nfs/dbraw/zinc/09/79/32/181097932.db2.gz HFNJKQILFNGZJJ-UHFFFAOYSA-N 0 0 315.373 0.657 50 0 DCAARN Cc1ccc(N2C[C@H](NC(=O)N(CCO)CCO)CC2=O)cc1 ZINC000004359952 181102882 /nfs/dbraw/zinc/10/28/82/181102882.db2.gz SXYBXRLQOFIWBZ-CYBMUJFWSA-N 0 0 321.377 0.097 50 0 DCAARN Nn1c(=O)cnnc1SCC(=O)N1CCCc2ccccc21 ZINC000004338024 181099952 /nfs/dbraw/zinc/09/99/52/181099952.db2.gz LTBJLNLMZKOMEY-UHFFFAOYSA-N 0 0 317.374 0.424 50 0 DCAARN CCc1ccc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000004338455 181100250 /nfs/dbraw/zinc/10/02/50/181100250.db2.gz JTZKLGIBYWWPAB-UHFFFAOYSA-N 0 0 324.358 0.414 50 0 DCAARN CC(=O)NCCC(=O)OCc1cc(=O)n2c(C)csc2n1 ZINC000004339389 181100343 /nfs/dbraw/zinc/10/03/43/181100343.db2.gz ZCZGHLBKNPWZRX-UHFFFAOYSA-N 0 0 309.347 0.634 50 0 DCAARN CN(Cc1ccccc1)C(=O)COC(=O)C1=NNC(=O)CC1 ZINC000004348940 181100957 /nfs/dbraw/zinc/10/09/57/181100957.db2.gz DGMKLRYFNKJZEZ-UHFFFAOYSA-N 0 0 303.318 0.454 50 0 DCAARN CN1CCN(C(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)CC1 ZINC000004373773 181103108 /nfs/dbraw/zinc/10/31/08/181103108.db2.gz GYDIMRVZEILFNH-ZDUSSCGKSA-N 0 0 320.368 0.888 50 0 DCAARN CS(=O)(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000004499677 181115808 /nfs/dbraw/zinc/11/58/08/181115808.db2.gz NAVDHTAUKWULJC-VIFPVBQESA-N 0 0 312.347 0.112 50 0 DCAARN Cc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(N)=O ZINC000004749130 181147740 /nfs/dbraw/zinc/14/77/40/181147740.db2.gz NHFQIUHNZJZWRO-UHFFFAOYSA-N 0 0 305.359 0.967 50 0 DCAARN CSc1ccc(S(=O)(=O)N[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000004783660 181151836 /nfs/dbraw/zinc/15/18/36/181151836.db2.gz GLSZCWCVLABYBL-VIFPVBQESA-N 0 0 319.429 0.998 50 0 DCAARN COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3ncnn32)c1 ZINC000004815658 181156206 /nfs/dbraw/zinc/15/62/06/181156206.db2.gz UYBYGCNNDPDOHQ-JTQLQIEISA-N 0 0 317.305 0.817 50 0 DCAARN CCOC(=O)c1ccc(NS(=O)(=O)N2CCOCC2)cc1 ZINC000004820510 181156586 /nfs/dbraw/zinc/15/65/86/181156586.db2.gz SNJBKDGQCZIBKZ-UHFFFAOYSA-N 0 0 314.363 0.852 50 0 DCAARN Cn1c2ncn(CC(=O)c3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000004829869 181158208 /nfs/dbraw/zinc/15/82/08/181158208.db2.gz NRHYSRALXWECRV-UHFFFAOYSA-N 0 0 316.292 0.456 50 0 DCAARN O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccon1 ZINC000004940680 181176215 /nfs/dbraw/zinc/17/62/15/181176215.db2.gz GJQRGJZMTCKHNZ-UHFFFAOYSA-N 0 0 321.314 0.848 50 0 DCAARN Cc1nccn1-c1ccc(=O)n(CCNC(=O)c2ccncc2)n1 ZINC000075163034 191437349 /nfs/dbraw/zinc/43/73/49/191437349.db2.gz JONVONNGPUNLDG-UHFFFAOYSA-N 0 0 324.344 0.562 50 0 DCAARN COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc(O)c(OC)c1 ZINC000005016117 181190924 /nfs/dbraw/zinc/19/09/24/181190924.db2.gz GEOAQYUCCPPSKD-GFCCVEGCSA-N 0 0 317.305 0.849 50 0 DCAARN NC(=O)Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O ZINC000005032861 181194069 /nfs/dbraw/zinc/19/40/69/181194069.db2.gz PRFCPDMTUKIMAT-UHFFFAOYSA-N 0 0 304.697 0.116 50 0 DCAARN CCOCCC(=O)N1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC000077286666 191687653 /nfs/dbraw/zinc/68/76/53/191687653.db2.gz ZKRBNWDJGKGUDA-TZMCWYRMSA-N 0 0 321.377 0.200 50 0 DCAARN O=C(c1ccccc1-n1cncn1)N1CCOC[C@@H](CO)C1 ZINC000077385901 191705735 /nfs/dbraw/zinc/70/57/35/191705735.db2.gz UTFBAIHBISBTFM-GFCCVEGCSA-N 0 0 302.334 0.348 50 0 DCAARN O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)NN1CCOCC1 ZINC000005123263 181206303 /nfs/dbraw/zinc/20/63/03/181206303.db2.gz OFKMHTNMQZKYFR-GFCCVEGCSA-N 0 0 304.350 0.338 50 0 DCAARN CC(=O)NCCNC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000005195151 181215892 /nfs/dbraw/zinc/21/58/92/181215892.db2.gz DWZCCTZHFWWDDT-LBPRGKRZSA-N 0 0 322.340 0.366 50 0 DCAARN O=C([O-])[C@H](CC(=O)Nc1ccc(F)cc1F)[NH2+]CCCO ZINC000005258724 181222901 /nfs/dbraw/zinc/22/29/01/181222901.db2.gz LGNIIMXSZVLAPZ-NSHDSACASA-N 0 0 302.277 0.719 50 0 DCAARN Cc1ccc(S(=O)(=O)NCC(=O)NCc2cccnc2)cc1 ZINC000005521123 181253155 /nfs/dbraw/zinc/25/31/55/181253155.db2.gz LPRAIGLRSFNPIN-UHFFFAOYSA-N 0 0 319.386 0.985 50 0 DCAARN CCc1nc(CN2CCN(Cc3cc(=O)c(O)co3)CC2)no1 ZINC000081161620 192231853 /nfs/dbraw/zinc/23/18/53/192231853.db2.gz RXVLPFOLKKQXJD-UHFFFAOYSA-N 0 0 320.349 0.609 50 0 DCAARN COC(=O)C1CCN(C(=O)COC(=O)c2ccccc2O)CC1 ZINC000005784171 181283480 /nfs/dbraw/zinc/28/34/80/181283480.db2.gz KYCSCVATRKBROC-UHFFFAOYSA-N 0 0 321.329 0.961 50 0 DCAARN O=C(NCCc1ccncc1)[C@H]1CC(=O)N(C2CCOCC2)C1 ZINC000085472797 192512740 /nfs/dbraw/zinc/51/27/40/192512740.db2.gz POSDOULFSOBKCV-AWEZNQCLSA-N 0 0 317.389 0.768 50 0 DCAARN COc1cc(F)ccc1N1CCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000237184091 202179897 /nfs/dbraw/zinc/17/98/97/202179897.db2.gz RGDWFOCHXTZJML-ZDUSSCGKSA-N 0 0 323.368 0.471 50 0 DCAARN CNC(=O)[C@@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000065364684 290535325 /nfs/dbraw/zinc/53/53/25/290535325.db2.gz GRJFWVYLWJMIHU-SNVBAGLBSA-N 0 0 300.380 0.904 50 0 DCAARN CN1c2ccc(S(=O)(=O)N3CCOCC3)cc2C(C)(C)C1=O ZINC000015822407 283263806 /nfs/dbraw/zinc/26/38/06/283263806.db2.gz BTQZHQSTDAHXTR-UHFFFAOYSA-N 0 0 324.402 0.962 50 0 DCAARN O=C(CNC(=O)OCc1ccccc1)N[C@H]1CCCCNC1=O ZINC000005872748 181292205 /nfs/dbraw/zinc/29/22/05/181292205.db2.gz RCICHKSHQWTLNU-ZDUSSCGKSA-N 0 0 319.361 0.698 50 0 biogenic DCAARN Cn1cnn(CC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c1=O ZINC000179457233 199038970 /nfs/dbraw/zinc/03/89/70/199038970.db2.gz PDMYXUNYLQLPFW-CQSZACIVSA-N 0 0 318.352 0.955 50 0 DCAARN C/C=C/C[C@H](CO)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000185278737 199834016 /nfs/dbraw/zinc/83/40/16/199834016.db2.gz JDZQOTJNNSTDOK-QAVQXKDTSA-N 0 0 324.402 0.578 50 0 DCAARN Cn1cc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)cn1 ZINC000089755884 192860176 /nfs/dbraw/zinc/86/01/76/192860176.db2.gz YETZZWBSJBNCJB-AWEZNQCLSA-N 0 0 314.345 0.786 50 0 DCAARN COCc1noc(CN2CCN(C(=O)[C@H]3CC3(C)C)CC2)n1 ZINC000187423218 200110780 /nfs/dbraw/zinc/11/07/80/200110780.db2.gz IEDVMNBWDMLRMP-LLVKDONJSA-N 0 0 308.382 0.906 50 0 DCAARN O=C1NC[C@H]2CN(Cc3ccc(Cl)cc3F)CCN2C1=O ZINC000189087756 200346610 /nfs/dbraw/zinc/34/66/10/200346610.db2.gz LEHAAKAQQPFXFO-NSHDSACASA-N 0 0 311.744 0.622 50 0 DCAARN Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N ZINC000005993038 181304286 /nfs/dbraw/zinc/30/42/86/181304286.db2.gz ZTTZLGIPPMGBSY-UHFFFAOYSA-N 0 0 321.362 0.802 50 0 DCAARN CC(C)(C)NC(=O)NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000006022825 181305964 /nfs/dbraw/zinc/30/59/64/181305964.db2.gz YVGKVYQFUZOUKR-UHFFFAOYSA-N 0 0 310.354 0.475 50 0 DCAARN CCC(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000006011087 181306543 /nfs/dbraw/zinc/30/65/43/181306543.db2.gz OSLFTOPVFNQHTF-MRVPVSSYSA-N 0 0 300.336 0.614 50 0 DCAARN Cc1cc(C(=O)NCCNS(=O)(=O)NC(C)C)ccc1F ZINC000277272305 238327355 /nfs/dbraw/zinc/32/73/55/238327355.db2.gz YBAMQUYHVIWKMO-UHFFFAOYSA-N 0 0 317.386 0.696 50 0 DCAARN C[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccncc1 ZINC000006399227 181337771 /nfs/dbraw/zinc/33/77/71/181337771.db2.gz WZVHSAYMIIWDAK-DGCLKSJQSA-N 0 0 311.407 0.930 50 0 DCAARN O=C(CCN1CCCO1)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 ZINC000244874188 202504445 /nfs/dbraw/zinc/50/44/45/202504445.db2.gz WWGDKJHEKDTCHT-OWCLPIDISA-N 0 0 319.405 0.907 50 0 DCAARN CCn1cnc2c1ncnc2N1CC(CN2CCOCC2)C1 ZINC000408518412 239271080 /nfs/dbraw/zinc/27/10/80/239271080.db2.gz GJGZMCFFHJXWIL-UHFFFAOYSA-N 0 0 302.382 0.615 50 0 DCAARN Cn1c2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2oc1=O ZINC000006670256 181368813 /nfs/dbraw/zinc/36/88/13/181368813.db2.gz NNFZFBVMRLLXEG-SECBINFHSA-N 0 0 312.347 0.589 50 0 DCAARN CCOC(=O)CC1=CSc2nnc(-c3cnccn3)n2N1 ZINC000006668740 181367968 /nfs/dbraw/zinc/36/79/68/181367968.db2.gz BFBNGIYUBMXQOV-UHFFFAOYSA-N 0 0 304.335 0.998 50 0 DCAARN COC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000006702343 181373819 /nfs/dbraw/zinc/37/38/19/181373819.db2.gz LPAFCIAVIVYIQR-SECBINFHSA-N 0 0 316.379 0.967 50 0 DCAARN Cn1nc(C(=O)NC[C@@H]2CCCN2c2nccs2)ccc1=O ZINC000206779817 201431109 /nfs/dbraw/zinc/43/11/09/201431109.db2.gz RLEVPALTQXTULB-JTQLQIEISA-N 0 0 319.390 0.636 50 0 DCAARN COCCNC(=O)N1CCC(N2C(=O)CSC2=O)CC1 ZINC000206983763 201432779 /nfs/dbraw/zinc/43/27/79/201432779.db2.gz WBKHUWKQJWVPHH-UHFFFAOYSA-N 0 0 301.368 0.502 50 0 DCAARN O=C([O-])[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000091444740 193056807 /nfs/dbraw/zinc/05/68/07/193056807.db2.gz DUCVFWIBGPTSRN-LSDHHAIUSA-N 0 0 318.373 0.645 50 0 DCAARN CCCc1nc(C(=O)N(C)[C@@H]2CS(=O)(=O)C[C@H]2O)cs1 ZINC000091325362 193040167 /nfs/dbraw/zinc/04/01/67/193040167.db2.gz RWBYXKLGZLDNLG-NXEZZACHSA-N 0 0 318.420 0.326 50 0 DCAARN COc1ccc2c(c1)OC[C@@H](CNC(=O)CN1CCOCC1)C2 ZINC000091474652 193060936 /nfs/dbraw/zinc/06/09/36/193060936.db2.gz HOHCHRBODLIRKW-CYBMUJFWSA-N 0 0 320.389 0.695 50 0 DCAARN COCC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cc(=O)[nH]c(C)n2)C1 ZINC000091646023 193085127 /nfs/dbraw/zinc/08/51/27/193085127.db2.gz MBZXYUUIKITRBS-HNNXBMFYSA-N 0 0 309.366 0.782 50 0 DCAARN CN(CC(=O)N1CC[C@]2(C1)CCCNC2=O)Cc1cccnc1 ZINC000091664121 193087061 /nfs/dbraw/zinc/08/70/61/193087061.db2.gz YVSKFWDEWATLOO-KRWDZBQOSA-N 0 0 316.405 0.642 50 0 DCAARN O=C(CCCn1cncn1)N1CCC2(CC1)OCCC[C@@H]2O ZINC000091793177 193109395 /nfs/dbraw/zinc/10/93/95/193109395.db2.gz BQZLSQKNEJKCFF-ZDUSSCGKSA-N 0 0 308.382 0.591 50 0 DCAARN Cc1cc(C)c(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1C ZINC000091865740 193120401 /nfs/dbraw/zinc/12/04/01/193120401.db2.gz UNCVBGWVJNAJNA-HNNXBMFYSA-N 0 0 301.390 0.754 50 0 DCAARN Cc1ncsc1CCN(C)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C ZINC000092080396 193154859 /nfs/dbraw/zinc/15/48/59/193154859.db2.gz GWQWLCVBPGAKOK-JTQLQIEISA-N 0 0 324.406 0.735 50 0 DCAARN NC(=O)CNC(=O)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000092099980 193158270 /nfs/dbraw/zinc/15/82/70/193158270.db2.gz SRSGTQQTMUEMNE-AWEZNQCLSA-N 0 0 317.389 0.459 50 0 DCAARN O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1cccc(=O)[nH]1 ZINC000218970740 201548159 /nfs/dbraw/zinc/54/81/59/201548159.db2.gz XPDLLROIMMFSSK-UHFFFAOYSA-N 0 0 318.377 0.785 50 0 DCAARN COCC[C@@H](CO)NC(=O)[C@H](C)NC(=O)COc1ccccc1 ZINC000253432161 202888891 /nfs/dbraw/zinc/88/88/91/202888891.db2.gz WWNLNYYDQJGZQI-STQMWFEESA-N 0 0 324.377 0.084 50 0 DCAARN O=C(CCCn1ccnn1)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000094075320 193343780 /nfs/dbraw/zinc/34/37/80/193343780.db2.gz WCYDEXCGLRTJIF-LBPRGKRZSA-N 0 0 323.422 0.582 50 0 DCAARN CN(C[C@H]1COc2ccccc2O1)C(=O)NCCn1cncn1 ZINC000263725854 203530740 /nfs/dbraw/zinc/53/07/40/203530740.db2.gz BNNQFRLEKFVGSY-LBPRGKRZSA-N 0 0 317.349 0.760 50 0 DCAARN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCc2nnc(C)[nH]2)on1 ZINC000095358048 193429721 /nfs/dbraw/zinc/42/97/21/193429721.db2.gz IFSVYYFYHZXKCJ-YPMHNXCESA-N 0 0 319.365 0.716 50 0 DCAARN CCc1ncc(C(=O)NCCS(=O)(=O)N2CCCC2)cn1 ZINC000095366939 193434107 /nfs/dbraw/zinc/43/41/07/193434107.db2.gz WLKKBDAHHYTGOR-UHFFFAOYSA-N 0 0 312.395 0.194 50 0 DCAARN Cc1noc(C)c1CN(C)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000095953877 193456825 /nfs/dbraw/zinc/45/68/25/193456825.db2.gz JSDFNEXLLAQGRL-UHFFFAOYSA-N 0 0 313.335 0.804 50 0 DCAARN O=C(CCc1nnc2ccccn2c1=O)NCc1ccncc1 ZINC000096223539 193590230 /nfs/dbraw/zinc/59/02/30/193590230.db2.gz UMGRJBQIOZZDDK-UHFFFAOYSA-N 0 0 309.329 0.734 50 0 DCAARN C[C@@H](O)CN1CC2=C(C1=O)[C@H](c1ccccc1F)NC(=O)N2 ZINC000011665677 181698136 /nfs/dbraw/zinc/69/81/36/181698136.db2.gz XSMYZHFBRMLSQG-OQPBUACISA-N 0 0 305.309 0.657 50 0 DCAARN C[C@@H]1C(=O)NCCN1C(=O)CCS(=O)(=O)c1ccccc1 ZINC000011694209 181700255 /nfs/dbraw/zinc/70/02/55/181700255.db2.gz AYLZOUWPJOUSMB-LLVKDONJSA-N 0 0 310.375 0.197 50 0 DCAARN C[C@@H](NC(=O)CN1C[C@@H](C(N)=O)Oc2ccccc21)C1CC1 ZINC000012651753 181785516 /nfs/dbraw/zinc/78/55/16/181785516.db2.gz ACICUENWHBNYEC-YGRLFVJLSA-N 0 0 303.362 0.654 50 0 DCAARN C[C@@H]1Cc2ccccc2N1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000013039201 181824706 /nfs/dbraw/zinc/82/47/06/181824706.db2.gz PDQUWKHJGGEGEP-DGCLKSJQSA-N 0 0 308.403 0.741 50 0 DCAARN O=C([C@H]1OCCc2ccccc21)N1CCc2n[nH]c(=O)cc2C1 ZINC000274880084 212004974 /nfs/dbraw/zinc/00/49/74/212004974.db2.gz OOUIMDSDCNLVNJ-INIZCTEOSA-N 0 0 311.341 0.969 50 0 DCAARN CCn1nnc2c1ncn(CC(=O)N(C)c1ccccc1)c2=O ZINC000013531551 181858793 /nfs/dbraw/zinc/85/87/93/181858793.db2.gz MKGXPYTWKDSXDP-UHFFFAOYSA-N 0 0 312.333 0.671 50 0 DCAARN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCCC2)c1 ZINC000014094139 181924768 /nfs/dbraw/zinc/92/47/68/181924768.db2.gz KTGNGVOPCVCKDA-UHFFFAOYSA-N 0 0 310.375 0.790 50 0 DCAARN COCCNC(=O)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000016341021 182041049 /nfs/dbraw/zinc/04/10/49/182041049.db2.gz LZXYLIVMLLDDJO-UHFFFAOYSA-N 0 0 308.378 0.825 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000016604643 182052211 /nfs/dbraw/zinc/05/22/11/182052211.db2.gz ZIWSNDQDGSAEAA-UHFFFAOYSA-N 0 0 300.355 0.472 50 0 DCAARN Nc1cc(=O)[nH]c(SCc2nnnn2-c2ccc(F)cc2)n1 ZINC000016669819 182056446 /nfs/dbraw/zinc/05/64/46/182056446.db2.gz UJKKFCDMTSDLNR-UHFFFAOYSA-N 0 0 319.325 0.759 50 0 DCAARN O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1nccs1 ZINC000017066431 182074303 /nfs/dbraw/zinc/07/43/03/182074303.db2.gz MCXPYVXKLXZKGJ-LLVKDONJSA-N 0 0 324.406 0.405 50 0 DCAARN CC(C)CCNC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12 ZINC000017113099 182075472 /nfs/dbraw/zinc/07/54/72/182075472.db2.gz ZNVXKMDVRRCWNL-UHFFFAOYSA-N 0 0 316.361 0.702 50 0 DCAARN O=C(CN1C(=O)[C@@H]2CCCN2C1=O)Nc1ccc2c(c1)OCO2 ZINC000018408188 182101735 /nfs/dbraw/zinc/10/17/35/182101735.db2.gz GSFOZAHVYVYEPN-JTQLQIEISA-N 0 0 317.301 0.780 50 0 DCAARN CN1CCN([C@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 ZINC000019360688 182119471 /nfs/dbraw/zinc/11/94/71/182119471.db2.gz NWOMSTPRGGWEKV-HNNXBMFYSA-N 0 0 301.390 0.604 50 0 DCAARN C[C@H](O)CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000019596695 182133180 /nfs/dbraw/zinc/13/31/80/182133180.db2.gz IWZVKZFFBXLUEA-NSHDSACASA-N 0 0 309.391 0.134 50 0 DCAARN CCOc1ccc(NCc2nnc(SCC(N)=O)n2N)cc1 ZINC000019897535 182161865 /nfs/dbraw/zinc/16/18/65/182161865.db2.gz BFDJZGJCQSSLAH-UHFFFAOYSA-N 0 0 322.394 0.580 50 0 DCAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(CCO)CC1 ZINC000019973750 182172434 /nfs/dbraw/zinc/17/24/34/182172434.db2.gz HJDMFRUBGVKLQZ-UHFFFAOYSA-N 0 0 304.799 0.639 50 0 DCAARN COC[C@@H]1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000020454599 182219574 /nfs/dbraw/zinc/21/95/74/182219574.db2.gz GYSPMPVDTVRMPP-LLVKDONJSA-N 0 0 302.330 0.778 50 0 DCAARN COc1cc(NC(C)=O)ccc1NC(=O)CN1CCOCC1 ZINC000020726037 182244086 /nfs/dbraw/zinc/24/40/86/182244086.db2.gz HGJOUEGATYIURQ-UHFFFAOYSA-N 0 0 307.350 0.924 50 0 DCAARN CN(Cc1c(Cl)cnn1C)S(=O)(=O)c1cnn(C)c1 ZINC000020602069 182236477 /nfs/dbraw/zinc/23/64/77/182236477.db2.gz UXOKEUDDVFSRGQ-UHFFFAOYSA-N 0 0 303.775 0.628 50 0 DCAARN O=C(NCCN1CCOCC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000021346348 182272593 /nfs/dbraw/zinc/27/25/93/182272593.db2.gz FBTLBMVRGXSPAM-AWEZNQCLSA-N 0 0 317.389 0.488 50 0 DCAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCCc1ccccn1 ZINC000021772990 182287839 /nfs/dbraw/zinc/28/78/39/182287839.db2.gz PDQSBLYASYJEHA-UHFFFAOYSA-N 0 0 324.340 0.856 50 0 DCAARN COc1ccc(NC(=O)NCCNC(=O)c2nonc2N)cc1 ZINC000021797818 182289571 /nfs/dbraw/zinc/28/95/71/182289571.db2.gz GRSUUPUCJXWCDG-UHFFFAOYSA-N 0 0 320.309 0.212 50 0 DCAARN Cc1nc(CC(=O)O[C@H](C)C(=O)NC(=O)NC2CC2)cs1 ZINC000021977587 182301551 /nfs/dbraw/zinc/30/15/51/182301551.db2.gz FPXVVCSTVYDUTM-SSDOTTSWSA-N 0 0 311.363 0.914 50 0 DCAARN COc1cccc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CC2)c1O ZINC000021976024 182301844 /nfs/dbraw/zinc/30/18/44/182301844.db2.gz BMTWCJMNPKIPSE-MRVPVSSYSA-N 0 0 322.317 0.934 50 0 DCAARN NC(=O)Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O ZINC000022767861 182334371 /nfs/dbraw/zinc/33/43/71/182334371.db2.gz HFQCSSZNIIXYTE-UHFFFAOYSA-N 0 0 309.329 0.945 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)OC(=O)CN(C)c2ncccn2)no1 ZINC000023173597 182352953 /nfs/dbraw/zinc/35/29/53/182352953.db2.gz ZEGYKVWZFNLYNV-SNVBAGLBSA-N 0 0 319.321 0.780 50 0 DCAARN NC(=O)COc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1 ZINC000023056483 182346071 /nfs/dbraw/zinc/34/60/71/182346071.db2.gz COWAOALXGSTXPG-UHFFFAOYSA-N 0 0 319.317 0.028 50 0 DCAARN CCOC(=O)c1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000023624281 182364637 /nfs/dbraw/zinc/36/46/37/182364637.db2.gz JMQNWYFHPWBBJG-CQSZACIVSA-N 0 0 309.362 0.935 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000024807675 182391565 /nfs/dbraw/zinc/39/15/65/182391565.db2.gz WYMNTERJDALNFK-LLVKDONJSA-N 0 0 311.345 0.867 50 0 DCAARN Cn1nc(C(=O)NCCc2ccc3c(c2)OCO3)ccc1=O ZINC000024380938 182379909 /nfs/dbraw/zinc/37/99/09/182379909.db2.gz SCIYCGINURSLIX-UHFFFAOYSA-N 0 0 301.302 0.482 50 0 DCAARN Cc1cc(C)n2ncc(C(=O)NCc3nnc4n3CCC4)c2n1 ZINC000024444456 182380709 /nfs/dbraw/zinc/38/07/09/182380709.db2.gz FPLBIJJVVNTNEU-UHFFFAOYSA-N 0 0 311.349 0.814 50 0 DCAARN O=C(c1cccnc1OCC(F)(F)F)N1CCNC(=O)C1 ZINC000024644301 182386146 /nfs/dbraw/zinc/38/61/46/182386146.db2.gz GXLATHXOFSZHHV-UHFFFAOYSA-N 0 0 303.240 0.595 50 0 DCAARN NC(=O)C1CCN(C(=O)Cn2c3ccccc3oc2=O)CC1 ZINC000026534943 182445397 /nfs/dbraw/zinc/44/53/97/182445397.db2.gz TUQZJGFJEFIGRK-UHFFFAOYSA-N 0 0 303.318 0.318 50 0 DCAARN COc1cccc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000029207368 182556474 /nfs/dbraw/zinc/55/64/74/182556474.db2.gz ZRVMOWHMMRADSI-GFCCVEGCSA-N 0 0 312.391 0.849 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc2ccccc2o1 ZINC000031649177 182617987 /nfs/dbraw/zinc/61/79/87/182617987.db2.gz MBIGDVMQIAJZKL-LLVKDONJSA-N 0 0 316.313 0.937 50 0 DCAARN CS(=O)(=O)Nc1ccccc1CNC(=O)c1ccc[nH]c1=O ZINC000032931439 182682781 /nfs/dbraw/zinc/68/27/81/182682781.db2.gz ZYPGYPSMEQUBET-UHFFFAOYSA-N 0 0 321.358 0.676 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1c(F)cccc1F ZINC000033327145 182704210 /nfs/dbraw/zinc/70/42/10/182704210.db2.gz UWXOFQXOWOBECG-UHFFFAOYSA-N 0 0 317.273 0.451 50 0 DCAARN Cn1ncc2c1ncn(CCC(=O)NCc1ccco1)c2=O ZINC000039538377 183020104 /nfs/dbraw/zinc/02/01/04/183020104.db2.gz HLWWWOZDVYJTGR-UHFFFAOYSA-N 0 0 301.306 0.430 50 0 DCAARN COc1cccc(NC(=O)CCC(=O)N2CCNC(=O)C2)c1 ZINC000040285941 183051219 /nfs/dbraw/zinc/05/12/19/183051219.db2.gz QPEFLEVKLLWNBW-UHFFFAOYSA-N 0 0 305.334 0.372 50 0 DCAARN COc1cccc(NC(=O)C[C@@H]2Cn3ncnc3NC2=O)c1 ZINC000040386475 183059276 /nfs/dbraw/zinc/05/92/76/183059276.db2.gz CWOLKXBHSBPNEC-SECBINFHSA-N 0 0 301.306 0.884 50 0 DCAARN CC(=O)N1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 ZINC000040460907 183069719 /nfs/dbraw/zinc/06/97/19/183069719.db2.gz ZMWJZFQBRJDTMU-AWEZNQCLSA-N 0 0 302.330 0.459 50 0 DCAARN Cn1c(=O)c2cc(C(=O)NCC3CCCC3)cnc2n(C)c1=O ZINC000040509778 183086052 /nfs/dbraw/zinc/08/60/52/183086052.db2.gz RCELXDGJXILBQO-UHFFFAOYSA-N 0 0 316.361 0.552 50 0 DCAARN C[C@@H](CNS(=O)(=O)N1CCC(C)CC1)N1CCOCC1 ZINC000040510943 183086719 /nfs/dbraw/zinc/08/67/19/183086719.db2.gz JCVKCLMKXRKHNS-ZDUSSCGKSA-N 0 0 305.444 0.273 50 0 DCAARN COc1cccc(COCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000040529746 183094015 /nfs/dbraw/zinc/09/40/15/183094015.db2.gz XLUYZMJBTWZMBY-LBPRGKRZSA-N 0 0 313.375 0.515 50 0 DCAARN C[C@@H](NC(=O)COCC1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000040535343 183095081 /nfs/dbraw/zinc/09/50/81/183095081.db2.gz HRCZYJULYUOISS-SNVBAGLBSA-N 0 0 312.391 0.938 50 0 DCAARN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000040541298 183098074 /nfs/dbraw/zinc/09/80/74/183098074.db2.gz BDWAIVCMXBWQGA-GFCCVEGCSA-N 0 0 312.391 0.920 50 0 DCAARN COc1ccc(CNC(=O)N2CCC(C(N)=O)CC2)cc1O ZINC000040549285 183099896 /nfs/dbraw/zinc/09/98/96/183099896.db2.gz NHRJNXCSWSRZNW-UHFFFAOYSA-N 0 0 307.350 0.808 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)CCCn2c3ccccc3oc2=O)C1 ZINC000041126536 183168888 /nfs/dbraw/zinc/16/88/88/183168888.db2.gz XPURGGWVFIVESG-LLVKDONJSA-N 0 0 317.345 0.709 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)c2cccnc2OCC(F)(F)F)C1 ZINC000041132638 183171089 /nfs/dbraw/zinc/17/10/89/183171089.db2.gz DZBHCDGGAZGLLU-QMMMGPOBSA-N 0 0 317.267 0.970 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN(CCCO)CC2)cc1C ZINC000041563963 183202831 /nfs/dbraw/zinc/20/28/31/183202831.db2.gz PJSSYGOUFZXNCH-UHFFFAOYSA-N 0 0 312.435 0.992 50 0 DCAARN CNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]2CCOC2)c1 ZINC000041370268 183187438 /nfs/dbraw/zinc/18/74/38/183187438.db2.gz KYJMTKMEJVCLSJ-LLVKDONJSA-N 0 0 312.391 0.669 50 0 DCAARN CCn1cnnc1CNC(=O)NCc1cccc(C(=O)NC)c1 ZINC000041369240 183187564 /nfs/dbraw/zinc/18/75/64/183187564.db2.gz ZIHFZPWTMBPGHD-UHFFFAOYSA-N 0 0 316.365 0.657 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CC[C@H]1CCCO1 ZINC000042043188 183230794 /nfs/dbraw/zinc/23/07/94/183230794.db2.gz VKVKQKAVXLXCQK-QWHCGFSZSA-N 0 0 318.439 0.876 50 0 DCAARN NC(=O)C1(CNC(=O)NCCc2ccc(F)cc2)CCOCC1 ZINC000043024116 183331314 /nfs/dbraw/zinc/33/13/14/183331314.db2.gz PVZWQUPABLAIDU-UHFFFAOYSA-N 0 0 323.368 0.950 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000043080485 183335357 /nfs/dbraw/zinc/33/53/57/183335357.db2.gz FRPZJBVUHCLMMZ-GFCCVEGCSA-N 0 0 319.361 0.517 50 0 DCAARN NC(=O)CN1CCC(NC(=O)c2cc3c(cccc3F)[nH]2)CC1 ZINC000043507845 183368059 /nfs/dbraw/zinc/36/80/59/183368059.db2.gz QWOPFCLUVIQIRE-UHFFFAOYSA-N 0 0 318.352 0.987 50 0 DCAARN O=C(COC(=O)Cn1ncc(=O)c2ccccc21)NCC1CC1 ZINC000043873625 183388649 /nfs/dbraw/zinc/38/86/49/183388649.db2.gz RNXCMSHTWDOXSN-UHFFFAOYSA-N 0 0 315.329 0.466 50 0 DCAARN CS(=O)(=O)Cc1ccc(C(=O)NCCn2ccnc2)cc1 ZINC000043947093 183390344 /nfs/dbraw/zinc/39/03/44/183390344.db2.gz ZBPNMGQJEAAQHT-UHFFFAOYSA-N 0 0 307.375 0.858 50 0 DCAARN COC(=O)N1CCC(CNC(=O)c2cn(C)nc2OC)CC1 ZINC000043982142 183391709 /nfs/dbraw/zinc/39/17/09/183391709.db2.gz NWPXUHNYVJNIEG-UHFFFAOYSA-N 0 0 310.354 0.637 50 0 DCAARN C[C@@H]1CC(=O)c2cc(C(=O)N3CCN(C)CC3)c(=O)[nH]c2C1 ZINC000061720707 296272521 /nfs/dbraw/zinc/27/25/21/296272521.db2.gz BPLQIRDAMFSVMX-JTQLQIEISA-N 0 0 303.362 0.528 50 0 DCAARN Cc1cc(CN2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)on1 ZINC000046178469 183556582 /nfs/dbraw/zinc/55/65/82/183556582.db2.gz BPQSEHCYCCENJA-LBPRGKRZSA-N 0 0 306.366 0.106 50 0 DCAARN Cc1cc(CN2CCN(C(=O)c3nccnc3N)CC2)no1 ZINC000048247024 183631332 /nfs/dbraw/zinc/63/13/32/183631332.db2.gz IZYAAISUULVHNO-UHFFFAOYSA-N 0 0 302.338 0.313 50 0 DCAARN Cc1cc(C(=O)NCCNC(=O)COc2ccccc2)[nH]n1 ZINC000048272540 183635493 /nfs/dbraw/zinc/63/54/93/183635493.db2.gz ZZSPBSQDGOZYHG-UHFFFAOYSA-N 0 0 302.334 0.643 50 0 DCAARN COC(=O)CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000048381963 183654129 /nfs/dbraw/zinc/65/41/29/183654129.db2.gz CHLNBUBMHRYNMB-UHFFFAOYSA-N 0 0 315.329 0.590 50 0 DCAARN CCCc1cc(C(=O)NCCn2nc3ccccn3c2=O)[nH]n1 ZINC000057240235 184030402 /nfs/dbraw/zinc/03/04/02/184030402.db2.gz XNRZKSUUKSCIQY-UHFFFAOYSA-N 0 0 314.349 0.602 50 0 DCAARN Cc1ncsc1C(=O)NCCn1nc2ccccn2c1=O ZINC000057240653 184030629 /nfs/dbraw/zinc/03/06/29/184030629.db2.gz BVSAORIDXGXTDO-UHFFFAOYSA-N 0 0 303.347 0.691 50 0 DCAARN CC(C)CNC(=O)c1cc(OCC(=O)N2CCCC2)n(C)n1 ZINC000057355334 184035516 /nfs/dbraw/zinc/03/55/16/184035516.db2.gz AJXIQNTWDGUXIV-UHFFFAOYSA-N 0 0 308.382 0.807 50 0 DCAARN COCCN(CCOC)C(=O)Cn1c2ccccc2oc1=O ZINC000057506945 184040466 /nfs/dbraw/zinc/04/04/66/184040466.db2.gz CIXJSIHSVDSVTI-UHFFFAOYSA-N 0 0 308.334 0.716 50 0 DCAARN C[C@H]1CCCN(C(=O)CN2C(=O)NC3(CCOCC3)C2=O)C1 ZINC000057947563 184063654 /nfs/dbraw/zinc/06/36/54/184063654.db2.gz YKLJKWFPCHAPJU-NSHDSACASA-N 0 0 309.366 0.346 50 0 DCAARN O=C1CCCN1CCCSc1nnnn1C[C@@H]1CCCO1 ZINC000058023338 184068994 /nfs/dbraw/zinc/06/89/94/184068994.db2.gz RKNYOLJAXNIVBG-NSHDSACASA-N 0 0 311.411 0.957 50 0 DCAARN O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccncc1 ZINC000058161944 184082939 /nfs/dbraw/zinc/08/29/39/184082939.db2.gz JIBCZJROVXFUDE-GFCCVEGCSA-N 0 0 316.313 0.980 50 0 DCAARN COCCn1nc(C)c(CNC(=O)c2ccc(=O)n(C)n2)c1C ZINC000058179393 184085070 /nfs/dbraw/zinc/08/50/70/184085070.db2.gz QAOUXOLRJGWSSO-UHFFFAOYSA-N 0 0 319.365 0.170 50 0 DCAARN CCOC(=O)C1=C(CN2C[C@H](C)OC[C@@H]2C)NC(=O)N[C@H]1C ZINC000058381957 184110982 /nfs/dbraw/zinc/11/09/82/184110982.db2.gz GMQLJFHVJCXQHU-DCAQKATOSA-N 0 0 311.382 0.614 50 0 DCAARN CC(=O)N1CCC(NC(=O)Cn2nnnc2C(C)(C)C)CC1 ZINC000058283599 184100314 /nfs/dbraw/zinc/10/03/14/184100314.db2.gz XXDWPHOTWKEYSS-UHFFFAOYSA-N 0 0 308.386 0.098 50 0 DCAARN C[C@H]1CCCC[C@@H]1NC(=O)Cn1c(=O)onc1-c1ncccn1 ZINC000058293035 184101442 /nfs/dbraw/zinc/10/14/42/184101442.db2.gz TTWKOBHYIHKTMR-QWRGUYRKSA-N 0 0 317.349 0.988 50 0 DCAARN CNS(=O)(=O)Cc1cccc(CNC(=O)c2cc(C)on2)c1 ZINC000058330632 184106302 /nfs/dbraw/zinc/10/63/02/184106302.db2.gz XMOKITPBXHJCCP-UHFFFAOYSA-N 0 0 323.374 0.962 50 0 DCAARN Cc1csc(N2CCCN([C@@H](C)C(=O)NC(N)=O)CC2)n1 ZINC000058434522 184118307 /nfs/dbraw/zinc/11/83/07/184118307.db2.gz USCAOQSJRWSDHC-JTQLQIEISA-N 0 0 311.411 0.547 50 0 DCAARN CCc1ncc(C(=O)NCCN2CCCS2(=O)=O)s1 ZINC000061597363 184176454 /nfs/dbraw/zinc/17/64/54/184176454.db2.gz PXPOSDVPNZPLNK-UHFFFAOYSA-N 0 0 303.409 0.471 50 0 DCAARN COc1ccccc1CNC(=O)C(=O)NC[C@](C)(O)C1CC1 ZINC000061976676 184199145 /nfs/dbraw/zinc/19/91/45/184199145.db2.gz QKGUOOCBEWSDEX-INIZCTEOSA-N 0 0 306.362 0.589 50 0 DCAARN CCn1c2ccccc2nc(C(=O)N2CCN(C)CC2)c1=O ZINC000064552968 184299664 /nfs/dbraw/zinc/29/96/64/184299664.db2.gz HYNLHARUAPCWJC-UHFFFAOYSA-N 0 0 300.362 0.804 50 0 DCAARN CN(C)C(=O)CNc1ccccc1C(=O)N1CCC[C@@H](O)C1 ZINC000063941637 184290984 /nfs/dbraw/zinc/29/09/84/184290984.db2.gz ZIVKQJOOEZVZMA-GFCCVEGCSA-N 0 0 305.378 0.784 50 0 DCAARN Cc1cc(NC(=O)NCCCC(=O)N2CCN(C)CC2)no1 ZINC000063974576 184291445 /nfs/dbraw/zinc/29/14/45/184291445.db2.gz NMJRWEQLYOJWCI-UHFFFAOYSA-N 0 0 309.370 0.659 50 0 DCAARN Cc1ccccc1S(=O)(=O)N1CCN=C1N1CCN(C)CC1 ZINC000064929857 184306331 /nfs/dbraw/zinc/30/63/31/184306331.db2.gz SGAQPVFXLUCVBN-UHFFFAOYSA-N 0 0 322.434 0.603 50 0 DCAARN CCn1ncn2cc(S(=O)(=O)NCc3ccco3)cc2c1=O ZINC000065246777 184318328 /nfs/dbraw/zinc/31/83/28/184318328.db2.gz QLBTUMNZQHEEAO-UHFFFAOYSA-N 0 0 322.346 0.587 50 0 DCAARN Cc1nc(CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cs1 ZINC000065300883 184323889 /nfs/dbraw/zinc/32/38/89/184323889.db2.gz CGBFKCXHYBJEQJ-JTQLQIEISA-N 0 0 317.436 0.187 50 0 DCAARN COC(=O)CN(CC(=O)OC)Cc1cc(OC)cc(OC)c1 ZINC000065296051 184324083 /nfs/dbraw/zinc/32/40/83/184324083.db2.gz ZKJAUDLOCWBAAK-UHFFFAOYSA-N 0 0 311.334 0.852 50 0 DCAARN Cc1ncnc2c1ncn2-c1ccc(NS(C)(=O)=O)nc1 ZINC000065374175 184330667 /nfs/dbraw/zinc/33/06/67/184330667.db2.gz LJQKDVNFIPHFKL-UHFFFAOYSA-N 0 0 304.335 0.890 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](NC(=O)CCn2nc(C)c(C)c2C)CN1C ZINC000065382413 184332337 /nfs/dbraw/zinc/33/23/37/184332337.db2.gz RWUVAFRQHCZPEN-KGLIPLIRSA-N 0 0 322.409 0.560 50 0 DCAARN CC(C)(C)c1cc(C(=O)NCCN2CCCS2(=O)=O)[nH]n1 ZINC000065415551 184340993 /nfs/dbraw/zinc/34/09/93/184340993.db2.gz ONGLKOKFKXYDSD-UHFFFAOYSA-N 0 0 314.411 0.473 50 0 DCAARN O=C(NCCCN1CCOCC1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000065417515 184341591 /nfs/dbraw/zinc/34/15/91/184341591.db2.gz DZZHHXWYRMKTEP-CQSZACIVSA-N 0 0 317.389 0.951 50 0 DCAARN CCCOCCN1CCN(C(=O)c2cnn3ccn(C)c23)CC1 ZINC000065451303 184346865 /nfs/dbraw/zinc/34/68/65/184346865.db2.gz HLZBMUZFJHKSKV-UHFFFAOYSA-N 0 0 319.409 0.857 50 0 DCAARN CCOc1ncnc2c1CN(CCCC(=O)NC(N)=O)CC2 ZINC000065458013 184348292 /nfs/dbraw/zinc/34/82/92/184348292.db2.gz MQLBOFDUVKUTCA-UHFFFAOYSA-N 0 0 307.354 0.209 50 0 DCAARN CCO[C@@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000065459380 184348377 /nfs/dbraw/zinc/34/83/77/184348377.db2.gz RDPUIYGLXSLXHD-MLGOLLRUSA-N 0 0 323.393 0.734 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)CCc2nc(-c3ccco3)no2)C1 ZINC000065487891 184352885 /nfs/dbraw/zinc/35/28/85/184352885.db2.gz NABDSPUWAJFUIA-SECBINFHSA-N 0 0 304.306 0.596 50 0 DCAARN COCCn1cnnc1Cc1nc2c([nH]1)C(=O)NCC(C)(C)C2 ZINC000065491939 184353466 /nfs/dbraw/zinc/35/34/66/184353466.db2.gz REDNAZWBFWYORA-UHFFFAOYSA-N 0 0 318.381 0.551 50 0 DCAARN CN(C)c1cc(C(=O)N(C)Cc2nnc3n2CCC3)ccn1 ZINC000065398778 184336585 /nfs/dbraw/zinc/33/65/85/184336585.db2.gz DYRINDZZQIMRJG-UHFFFAOYSA-N 0 0 300.366 0.958 50 0 DCAARN CN1CCN2CCN(Cc3ccc4c(c3)CCO4)C[C@@H]2C1=O ZINC000065403789 184337082 /nfs/dbraw/zinc/33/70/82/184337082.db2.gz OQGGVSUYDQBUIJ-OAHLLOKOSA-N 0 0 301.390 0.580 50 0 DCAARN COc1c(CNCCNS(C)(=O)=O)c(C(C)C)nn1C ZINC000065532506 184362042 /nfs/dbraw/zinc/36/20/42/184362042.db2.gz YQZJPSCHMNCZKP-UHFFFAOYSA-N 0 0 304.416 0.191 50 0 DCAARN Cc1nc(C2(NCC(=O)N3CCNC(=O)C3)CCCCC2)no1 ZINC000065543034 184363838 /nfs/dbraw/zinc/36/38/38/184363838.db2.gz YBDFKZBYHIZVTJ-UHFFFAOYSA-N 0 0 321.381 0.085 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCCN1CC(=O)NC1CCCC1 ZINC000065576836 184368292 /nfs/dbraw/zinc/36/82/92/184368292.db2.gz QUBCOGNMHNVHSH-ZDUSSCGKSA-N 0 0 317.455 0.449 50 0 DCAARN COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)CSc1ccccn1 ZINC000065503104 184355908 /nfs/dbraw/zinc/35/59/08/184355908.db2.gz IHAXGSAGOPKZAB-WDEREUQCSA-N 0 0 310.375 0.699 50 0 DCAARN CCOC(=O)[C@@H]1C(=O)NC[C@H]1c1cc2c(c(OC)c1)OCO2 ZINC000066091583 184388697 /nfs/dbraw/zinc/38/86/97/184388697.db2.gz QTMQEUMTOMGEOS-CABZTGNLSA-N 0 0 307.302 0.817 50 0 DCAARN CNC(=O)C1CCN(C(=O)NCc2cccnc2N(C)C)CC1 ZINC000065614006 184374385 /nfs/dbraw/zinc/37/43/85/184374385.db2.gz BXTLSYIDOOFMLC-UHFFFAOYSA-N 0 0 319.409 0.815 50 0 DCAARN Cc1cnn(C[C@@H]2CN(CC(=O)Nc3cccnc3)CCO2)c1 ZINC000069451648 184515481 /nfs/dbraw/zinc/51/54/81/184515481.db2.gz XTELLYKHAFEHOJ-HNNXBMFYSA-N 0 0 315.377 0.926 50 0 DCAARN CS(=O)(=O)CCC(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000350971080 254330606 /nfs/dbraw/zinc/33/06/06/254330606.db2.gz KTYQZIUXXVVCLM-UHFFFAOYSA-N 0 0 316.354 0.106 50 0 DCAARN O=C(N[C@H]1CC[C@H](O)CC1)[C@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000244678726 256605399 /nfs/dbraw/zinc/60/53/99/256605399.db2.gz IIXJADMPXKNUCK-KKUMJFAQSA-N 0 0 317.389 0.850 50 0 DCAARN Cn1ccnc1CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000106032708 257273021 /nfs/dbraw/zinc/27/30/21/257273021.db2.gz XGMJUDBASGDPBM-UHFFFAOYSA-N 0 0 301.350 0.479 50 0 DCAARN COC(=O)CN[C@@]1(C(=O)OC)CCCN(Cc2ccccc2)C1 ZINC000121113384 257239326 /nfs/dbraw/zinc/23/93/26/257239326.db2.gz SRQBIPAUZVGXSN-KRWDZBQOSA-N 0 0 320.389 0.957 50 0 DCAARN O=C(NCCN1CCOCC1)c1cnc(-c2ccccn2)nc1 ZINC000426739623 257243176 /nfs/dbraw/zinc/24/31/76/257243176.db2.gz FAMQCNUHWZDTMK-UHFFFAOYSA-N 0 0 313.361 0.601 50 0 DCAARN CNC(=O)C[C@H]1C(=O)NCCN1C(=O)NCc1ccc(C)s1 ZINC000426717049 257243321 /nfs/dbraw/zinc/24/33/21/257243321.db2.gz WZAJCODTXYWYJP-NSHDSACASA-N 0 0 324.406 0.203 50 0 DCAARN Cc1nccn1[C@H](C)C(=O)N1CCC2(CC1)CN(C)C(=O)CO2 ZINC000426677694 257244192 /nfs/dbraw/zinc/24/41/92/257244192.db2.gz PQOHEWZWUALTAA-GFCCVEGCSA-N 0 0 320.393 0.602 50 0 DCAARN O=C(NCCc1cn[nH]n1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000426691362 257244287 /nfs/dbraw/zinc/24/42/87/257244287.db2.gz XEMWJGVZNCBLMU-LLVKDONJSA-N 0 0 303.297 0.729 50 0 DCAARN O=C(NCCCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000426690207 257244716 /nfs/dbraw/zinc/24/47/16/257244716.db2.gz AZDGFNXMJGDUPF-SECBINFHSA-N 0 0 305.787 0.478 50 0 DCAARN COc1ncc(C(=O)N2CCC[C@@H](c3nnc(C)[nH]3)C2)cn1 ZINC000426604685 257244777 /nfs/dbraw/zinc/24/47/77/257244777.db2.gz YAWLZLGNSSEQRA-SNVBAGLBSA-N 0 0 302.338 0.932 50 0 DCAARN CS(=O)(=O)CCN1CCC[C@H](c2ccnn2CC(=O)[O-])C1 ZINC000426578546 257245772 /nfs/dbraw/zinc/24/57/72/257245772.db2.gz FWMDWFNZBLPVLJ-NSHDSACASA-N 0 0 315.395 0.192 50 0 DCAARN Cc1[nH]c(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)c(C)c1C(=O)[O-] ZINC000426597250 257246012 /nfs/dbraw/zinc/24/60/12/257246012.db2.gz PHLXDQMFKYPNAF-RYUDHWBXSA-N 0 0 321.377 0.611 50 0 DCAARN COCCCn1cnnc1CNC(=O)N(C)Cc1cc(C)no1 ZINC000426541368 257246795 /nfs/dbraw/zinc/24/67/95/257246795.db2.gz MPSSRFTXSITJRP-UHFFFAOYSA-N 0 0 322.369 0.953 50 0 DCAARN Cc1nc(C)c(CC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C(=O)[O-])C2)s1 ZINC000426514664 257247396 /nfs/dbraw/zinc/24/73/96/257247396.db2.gz NHTKFTAHNRZEKJ-NHYWBVRUSA-N 0 0 323.418 0.777 50 0 DCAARN O=C(NCc1ccc(F)cc1F)N1CCNC(=O)[C@@H]1CCO ZINC000426492937 257248250 /nfs/dbraw/zinc/24/82/50/257248250.db2.gz PBWCODNKPVKCPO-LBPRGKRZSA-N 0 0 313.304 0.357 50 0 DCAARN Cc1cc(=O)cc(C(=O)NCc2cn3c(n2)SCC3)n1C ZINC000426477149 257249153 /nfs/dbraw/zinc/24/91/53/257249153.db2.gz CDRXMADHTAYOPC-UHFFFAOYSA-N 0 0 304.375 0.926 50 0 DCAARN Cc1nnnn1[C@@H](C(=O)NCCc1cn[nH]n1)c1ccccc1 ZINC000426420050 257250876 /nfs/dbraw/zinc/25/08/76/257250876.db2.gz INDGXVMZRDQRKV-CYBMUJFWSA-N 0 0 312.337 0.048 50 0 DCAARN CSCC(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O ZINC000426382728 257252137 /nfs/dbraw/zinc/25/21/37/257252137.db2.gz NYNAMVRRXXSCCL-GHMZBOCLSA-N 0 0 301.437 0.558 50 0 DCAARN COc1ccc(CNC(=O)COC(=O)c2cnccn2)cc1 ZINC000003228362 257267168 /nfs/dbraw/zinc/26/71/68/257267168.db2.gz JVTOHZKWVINCKX-UHFFFAOYSA-N 0 0 301.302 0.958 50 0 DCAARN O[C@H](CN1CCN(C[C@@H](O)C(F)(F)F)CC1)C(F)(F)F ZINC000020218996 257268920 /nfs/dbraw/zinc/26/89/20/257268920.db2.gz RKHWNUJKWCLCQP-HTQZYQBOSA-N 0 0 310.238 0.450 50 0 DCAARN O=C([O-])c1cncc(N2CC[N@@H+](C3CCCC3)C[C@@H](O)C2)n1 ZINC000217375427 304279521 /nfs/dbraw/zinc/27/95/21/304279521.db2.gz NQZFJRMKIRKQLT-GFCCVEGCSA-N 0 0 306.366 0.600 50 0 DCAARN COc1cccc(CC(=O)N2CCN([C@H]3CCOC3=O)CC2)c1 ZINC000071832823 184860687 /nfs/dbraw/zinc/86/06/87/184860687.db2.gz AMYMJIOAQVCFMH-HNNXBMFYSA-N 0 0 318.373 0.697 50 0 DCAARN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCNC(=O)CC1 ZINC000071839611 184864720 /nfs/dbraw/zinc/86/47/20/184864720.db2.gz WLDZYBHDMPDHHX-GFCCVEGCSA-N 0 0 319.386 0.838 50 0 DCAARN COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC000069670016 184835289 /nfs/dbraw/zinc/83/52/89/184835289.db2.gz ONYJDPLSVYUVPW-LBPRGKRZSA-N 0 0 305.334 0.972 50 0 DCAARN NC(=O)C1(CNc2ncc(Br)cn2)CCOCC1 ZINC000071905770 184898376 /nfs/dbraw/zinc/89/83/76/184898376.db2.gz ZGJVDLKBKLXSJH-UHFFFAOYSA-N 0 0 315.171 0.933 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)N[C@H]1CCc2c1cccc2O ZINC000071920314 184905869 /nfs/dbraw/zinc/90/58/69/184905869.db2.gz APSHSORLFOKYMB-CABZTGNLSA-N 0 0 310.375 0.866 50 0 DCAARN O[C@@]1(c2cn[nH]n2)CCN(Cc2ncnn2-c2ccccc2)C1 ZINC000284854988 131115717 /nfs/dbraw/zinc/11/57/17/131115717.db2.gz QRWAXWLSRJEKTJ-HNNXBMFYSA-N 0 0 311.349 0.479 50 0 DCAARN Cc1ccccc1CCNC(=O)CN1C[C@H](F)C[C@H]1C(N)=O ZINC000285514131 131175630 /nfs/dbraw/zinc/17/56/30/131175630.db2.gz PVDCAISKDFMRPB-KGLIPLIRSA-N 0 0 307.369 0.551 50 0 DCAARN C[C@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CCO1 ZINC000032920242 134684428 /nfs/dbraw/zinc/68/44/28/134684428.db2.gz DOQUTMKGDJRIJM-RYUDHWBXSA-N 0 0 316.361 0.572 50 0 DCAARN COc1ccccc1N1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC000048073551 134749808 /nfs/dbraw/zinc/74/98/08/134749808.db2.gz LVJCQHBGQKQACV-HNNXBMFYSA-N 0 0 306.362 0.759 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)NCCc1nnc2ccccn21 ZINC000008394129 395684539 /nfs/dbraw/zinc/68/45/39/395684539.db2.gz RONTWZBSVYDDPX-UHFFFAOYSA-N 0 0 321.362 0.855 50 0 DCAARN COCCNC(=O)Cc1c(C)c2c(O)cc(O)cc2oc1=O ZINC000008490554 395684652 /nfs/dbraw/zinc/68/46/52/395684652.db2.gz GSAWMLMPMKJSMQ-UHFFFAOYSA-N 0 0 307.302 0.818 50 0 DCAARN CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)n2cncn2)cc1 ZINC000008844809 395685041 /nfs/dbraw/zinc/68/50/41/395685041.db2.gz ATAPZFBSMIXUFC-JTQLQIEISA-N 0 0 323.378 0.776 50 0 DCAARN COC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)N1CCOCC1 ZINC000008916119 395685043 /nfs/dbraw/zinc/68/50/43/395685043.db2.gz IHBTVGPIWADMNY-GFCCVEGCSA-N 0 0 314.382 0.329 50 0 DCAARN O=CN(CCS(=O)(=O)N1CCCCC1)Cc1cccnc1 ZINC000009302939 395685293 /nfs/dbraw/zinc/68/52/93/395685293.db2.gz ALBKWVWQDMSMSI-UHFFFAOYSA-N 0 0 311.407 0.856 50 0 DCAARN Cc1ccc([C@@H]2CC(=C3C(=O)N(C)C(=O)N(C)C3=O)NN2)s1 ZINC000009419603 395685295 /nfs/dbraw/zinc/68/52/95/395685295.db2.gz BOWFUPNDSHDJJV-QMMMGPOBSA-N 0 0 320.374 0.900 50 0 DCAARN O=S1(=O)C[C@@H]2NC(=S)N(Cc3ccc(F)cc3)[C@H]2C1 ZINC000009485498 395685388 /nfs/dbraw/zinc/68/53/88/395685388.db2.gz OQNXOTBWPVUGAS-QWRGUYRKSA-N 0 0 300.380 0.681 50 0 DCAARN Cn1c(=O)cc(CNC(=O)c2cccc(Cl)n2)n(C)c1=O ZINC000009530900 395685476 /nfs/dbraw/zinc/68/54/76/395685476.db2.gz UORREAWEJMUDPF-UHFFFAOYSA-N 0 0 308.725 0.062 50 0 DCAARN COc1cccc(NC(=O)CN(C)[C@@H]2CC(=O)N(C)C2=O)c1 ZINC000010168253 395685886 /nfs/dbraw/zinc/68/58/86/395685886.db2.gz ZYRDOLSCBWYZKT-GFCCVEGCSA-N 0 0 305.334 0.323 50 0 DCAARN O=CN1CCN(C(=O)[C@@H]2CC(Cc3ccccc3)=NO2)CC1 ZINC000012244514 395687250 /nfs/dbraw/zinc/68/72/50/395687250.db2.gz FHAUMQRYACSKJG-HNNXBMFYSA-N 0 0 301.346 0.675 50 0 DCAARN COc1ccc(-c2noc(C(=O)NC[C@@H](C)O)n2)cc1OC ZINC000012323504 395687304 /nfs/dbraw/zinc/68/73/04/395687304.db2.gz VKYHCOYCWJGKFE-MRVPVSSYSA-N 0 0 307.306 0.864 50 0 DCAARN O=C(NCCCN1CCCC1=O)c1nc(-c2ccccn2)no1 ZINC000012389034 395687643 /nfs/dbraw/zinc/68/76/43/395687643.db2.gz QCVQPGRORFNEOX-UHFFFAOYSA-N 0 0 315.333 0.874 50 0 DCAARN O=C(c1cn(Cc2ccccc2Cl)nn1)N(CCO)CCO ZINC000012458927 395687728 /nfs/dbraw/zinc/68/77/28/395687728.db2.gz GGCAUWFCAWAWLB-UHFFFAOYSA-N 0 0 324.768 0.407 50 0 DCAARN CCOC(=O)CNC(=O)CSc1ncnc2c1nnn2CC ZINC000013532192 395688716 /nfs/dbraw/zinc/68/87/16/395688716.db2.gz RCKSQNRRFDGECA-UHFFFAOYSA-N 0 0 324.366 0.013 50 0 DCAARN O=C(C[C@H]1C(=O)Nc2ncnn21)Nc1ccc2c(c1)OCO2 ZINC000013693534 395688848 /nfs/dbraw/zinc/68/88/48/395688848.db2.gz FRHYUAFTOMVWFE-QMMMGPOBSA-N 0 0 301.262 0.529 50 0 DCAARN Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc3c(c1)OCO3)C(=O)N2 ZINC000013728542 395688901 /nfs/dbraw/zinc/68/89/01/395688901.db2.gz OAPPXYORBJRRHQ-SECBINFHSA-N 0 0 315.289 0.837 50 0 DCAARN CCNC(=O)NC(=O)CSc1nnnn1Cc1ccco1 ZINC000014076730 395689111 /nfs/dbraw/zinc/68/91/11/395689111.db2.gz DADFNSNCBOJGPQ-UHFFFAOYSA-N 0 0 310.339 0.252 50 0 DCAARN COc1cc([C@@H]2ON=C(C(N)=O)[C@@H]2C)c(OC)c2c1OCO2 ZINC000015081600 395689823 /nfs/dbraw/zinc/68/98/23/395689823.db2.gz GQCSZFIIOQVORT-QUBYGPBYSA-N 0 0 308.290 0.981 50 0 DCAARN CCc1c(C(=O)N2CCOCC2)cnn1-c1ccc(OC)nn1 ZINC000024487755 395692965 /nfs/dbraw/zinc/69/29/65/395692965.db2.gz FCCKPZYXNGCXIY-UHFFFAOYSA-N 0 0 317.349 0.706 50 0 DCAARN CCOC(=O)c1nnn(-c2nonc2N)c1CN(CC)CC ZINC000000049017 395679678 /nfs/dbraw/zinc/67/96/78/395679678.db2.gz IYBJLGBQSOUVMG-UHFFFAOYSA-N 0 0 309.330 0.251 50 0 DCAARN CCOC(=O)Cc1nnc(-c2nnc(CC(=O)OCC)o2)o1 ZINC000000121191 395679842 /nfs/dbraw/zinc/67/98/42/395679842.db2.gz ZNDGGLCASGMKCB-UHFFFAOYSA-N 0 0 310.266 0.331 50 0 DCAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCS(=O)CC2)cc1 ZINC000000405398 395680280 /nfs/dbraw/zinc/68/02/80/395680280.db2.gz WKHADKNFGLQPKQ-UHFFFAOYSA-N 0 0 316.404 0.398 50 0 DCAARN COc1cccc(-c2nnn(CC(=O)N3CCOCC3)n2)c1 ZINC000000416111 395680401 /nfs/dbraw/zinc/68/04/01/395680401.db2.gz KRTRNORDTSCKGX-UHFFFAOYSA-N 0 0 303.322 0.208 50 0 DCAARN COc1cc(-n2cnnn2)ccc1S(=O)(=O)N1CCCCC1 ZINC000000419648 395680490 /nfs/dbraw/zinc/68/04/90/395680490.db2.gz UFQGUFSIVMZYLZ-UHFFFAOYSA-N 0 0 323.378 0.846 50 0 DCAARN C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C)CC1 ZINC000025480232 395693538 /nfs/dbraw/zinc/69/35/38/395693538.db2.gz LXYZGDDVXFRMDT-ZDUSSCGKSA-N 0 0 305.378 0.344 50 0 DCAARN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(N)=O)C1 ZINC000000528256 395680543 /nfs/dbraw/zinc/68/05/43/395680543.db2.gz IXKHIEGPBSMGHT-NSHDSACASA-N 0 0 312.391 0.890 50 0 DCAARN COC(=O)C1=C[C@]2(CC(=O)N(c3cccc(OC)c3)C2=O)NN1 ZINC000000545842 395680545 /nfs/dbraw/zinc/68/05/45/395680545.db2.gz PUUGHXZJNHUIGS-OAHLLOKOSA-N 0 0 317.301 0.220 50 0 DCAARN CC(C)(C)OC(=O)NCCc1nnc(SCC(N)=O)o1 ZINC000000530174 395680567 /nfs/dbraw/zinc/68/05/67/395680567.db2.gz CRXHATZWBNEOGF-UHFFFAOYSA-N 0 0 302.356 0.714 50 0 DCAARN [NH3+]CCCC[C@@H](NC(=O)CNC(=O)c1ccccc1)C(=O)[O-] ZINC000001569744 395681007 /nfs/dbraw/zinc/68/10/07/395681007.db2.gz LRCZLURYHGISRZ-GFCCVEGCSA-N 0 0 307.350 0.115 50 0 DCAARN CN(C)S(=O)(=O)c1cc2cccc3c2c(c1)C(=O)NC3=O ZINC000001926359 395681352 /nfs/dbraw/zinc/68/13/52/395681352.db2.gz CSSMUQJPNRCYDZ-UHFFFAOYSA-N 0 0 304.327 0.974 50 0 DCAARN Cn1ncc(NC(=O)c2cc(C(F)(F)F)nn2C)c1C(N)=O ZINC000002774980 395681823 /nfs/dbraw/zinc/68/18/23/395681823.db2.gz GOPSZFFLNXEJCM-UHFFFAOYSA-N 0 0 316.243 0.524 50 0 DCAARN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000002803765 395681900 /nfs/dbraw/zinc/68/19/00/395681900.db2.gz YASYYSILFOKRQA-NSHDSACASA-N 0 0 315.395 0.990 50 0 DCAARN Cc1nn(C)cc1CNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000002808023 395681918 /nfs/dbraw/zinc/68/19/18/395681918.db2.gz MDQJXOOIUWYING-LLVKDONJSA-N 0 0 314.411 0.016 50 0 DCAARN O=C(C(=O)N1CCCCC[C@@H]1CO)N1CCCCC[C@@H]1CO ZINC000003151598 395682269 /nfs/dbraw/zinc/68/22/69/395682269.db2.gz FIBDBROHXNQXNB-ZIAGYGMSSA-N 0 0 312.410 0.513 50 0 DCAARN COCCNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000003280104 395682349 /nfs/dbraw/zinc/68/23/49/395682349.db2.gz OFUPXZQHVGOKLO-MRXNPFEDSA-N 0 0 317.345 0.143 50 0 DCAARN CSc1ncc(Cl)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 ZINC000003216629 395682442 /nfs/dbraw/zinc/68/24/42/395682442.db2.gz GIWUPDIEDFBUAB-ZCFIWIBFSA-N 0 0 321.811 0.769 50 0 DCAARN O=C1[C@@H]2[C@H]3C[C@H]([C@H](O)[C@H]3O)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000004770918 395682568 /nfs/dbraw/zinc/68/25/68/395682568.db2.gz HMMPSZDOEBFYEE-ISNNVVIFSA-N 0 0 307.733 0.817 50 0 DCAARN CCCCS(=O)(=O)N1CCC[C@H](C(=O)NC(C)(C)CO)C1 ZINC000006743903 395683052 /nfs/dbraw/zinc/68/30/52/395683052.db2.gz YIFKOEKHFMOXPE-LBPRGKRZSA-N 0 0 320.455 0.715 50 0 DCAARN COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@@H](C)O)C3)cc1 ZINC000008132262 395684048 /nfs/dbraw/zinc/68/40/48/395684048.db2.gz VMZNKNWJKCMAAH-OTYXRUKQSA-N 0 0 317.345 0.526 50 0 DCAARN O=C(c1ccc2c(c1)OCO2)N1CCN(C[C@@H](O)C2CC2)CC1 ZINC000085436614 395700199 /nfs/dbraw/zinc/70/01/99/395700199.db2.gz MMHAFRCIXGNLJY-CQSZACIVSA-N 0 0 318.373 0.944 50 0 DCAARN CC(=O)c1cccc(NCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000029980207 395701376 /nfs/dbraw/zinc/70/13/76/395701376.db2.gz MGCVNCKDRHCHPT-AWEZNQCLSA-N 0 0 324.402 0.947 50 0 DCAARN Cn1c(=O)ccn(CC(=O)Nc2nc(C3CC3)cs2)c1=O ZINC000030850897 395704177 /nfs/dbraw/zinc/70/41/77/395704177.db2.gz BTCKJBNDDFLELB-UHFFFAOYSA-N 0 0 306.347 0.520 50 0 DCAARN CC[C@@H]1CN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CCO1 ZINC000030855273 395704270 /nfs/dbraw/zinc/70/42/70/395704270.db2.gz PHUZYTJMLZGKJR-LLVKDONJSA-N 0 0 311.382 0.734 50 0 DCAARN CC[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NC)c2)CCO1 ZINC000030853324 395704349 /nfs/dbraw/zinc/70/43/49/395704349.db2.gz LVNHRXQQOHMQMV-LBPRGKRZSA-N 0 0 312.391 0.846 50 0 DCAARN CCc1noc(CSc2nnc(N3CCOCC3)n2C)n1 ZINC000030975896 395705170 /nfs/dbraw/zinc/70/51/70/395705170.db2.gz BLNZHWHEKWMZOM-UHFFFAOYSA-N 0 0 310.383 0.889 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)c2ccccc2)c1 ZINC000031710526 395707702 /nfs/dbraw/zinc/70/77/02/395707702.db2.gz KUYMQRHHWHMUCT-UHFFFAOYSA-N 0 0 320.370 0.982 50 0 DCAARN COC(=O)Cn1c(=O)nc2n1C(=O)N(c1cccc(C)c1)C2 ZINC000032092270 395708736 /nfs/dbraw/zinc/70/87/36/395708736.db2.gz PLMQDDHMXQQACT-UHFFFAOYSA-N 0 0 302.290 0.515 50 0 DCAARN C[C@@H](Sc1ccccn1)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000089478599 395712176 /nfs/dbraw/zinc/71/21/76/395712176.db2.gz MMKXNMGCGGRGMO-CHWSQXEVSA-N 0 0 306.435 0.678 50 0 DCAARN COC(=O)C1CCN(C(=O)Cn2nnc(-c3ccco3)n2)CC1 ZINC000032769846 395713100 /nfs/dbraw/zinc/71/31/00/395713100.db2.gz VFOZBOSXIHEUIX-UHFFFAOYSA-N 0 0 319.321 0.345 50 0 DCAARN Cn1c(=O)c2ccc(C(=O)N3CCCCC3)nc2n(C)c1=O ZINC000032778261 395713314 /nfs/dbraw/zinc/71/33/14/395713314.db2.gz ALVPQKOOLXDBHL-UHFFFAOYSA-N 0 0 302.334 0.258 50 0 DCAARN CCCCN(CC)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000032796450 395713636 /nfs/dbraw/zinc/71/36/36/395713636.db2.gz VKPNEMTZGBYVOX-UHFFFAOYSA-N 0 0 318.377 0.894 50 0 DCAARN Cn1c2[nH]c(CCc3nc4ccccc4[nH]3)nc2c(=O)[nH]c1=O ZINC000089741530 395714445 /nfs/dbraw/zinc/71/44/45/395714445.db2.gz WJRDDNCLYMBKDG-UHFFFAOYSA-N 0 0 310.317 0.611 50 0 DCAARN CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(Cc2nccn2C)C1 ZINC000089718337 395714520 /nfs/dbraw/zinc/71/45/20/395714520.db2.gz CWRVOGWFHPTDTL-ZDUSSCGKSA-N 0 0 318.381 0.735 50 0 DCAARN CCCCN(CC(N)=O)C(=O)Cn1c2ccccc2ncc1=O ZINC000032925577 395714756 /nfs/dbraw/zinc/71/47/56/395714756.db2.gz KECYVUQPXGNHLQ-UHFFFAOYSA-N 0 0 316.361 0.511 50 0 DCAARN O=C(Cn1ccnc1)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000089769928 395714960 /nfs/dbraw/zinc/71/49/60/395714960.db2.gz WIOJOFFLLGPKCV-JTQLQIEISA-N 0 0 311.288 0.717 50 0 DCAARN O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CNC(=O)N1 ZINC000089769721 395714970 /nfs/dbraw/zinc/71/49/70/395714970.db2.gz UDEBEGXEHVLHES-ZANVPECISA-N 0 0 324.331 0.589 50 0 DCAARN CC(C)C[C@@H](CNC(=O)C1=NNC(=O)CC1)N1CCOCC1 ZINC000089802484 395715361 /nfs/dbraw/zinc/71/53/61/395715361.db2.gz PGGASKQXWGYJTI-LBPRGKRZSA-N 0 0 310.398 0.116 50 0 DCAARN CC1CCN(C(=O)CSc2nc3[nH]cnc3c(=O)[nH]2)CC1 ZINC000033027516 395715975 /nfs/dbraw/zinc/71/59/75/395715975.db2.gz XZKWICPBKSYXSP-UHFFFAOYSA-N 0 0 307.379 0.997 50 0 DCAARN CCOC(=O)CCNC(=O)NCC(=O)N1CCc2ccccc21 ZINC000033127799 395716611 /nfs/dbraw/zinc/71/66/11/395716611.db2.gz YGWAFXQIKPSGKN-UHFFFAOYSA-N 0 0 319.361 0.828 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000089904339 395716667 /nfs/dbraw/zinc/71/66/67/395716667.db2.gz YKDBUIQSDMOUOW-QWRGUYRKSA-N 0 0 300.384 0.100 50 0 DCAARN C[C@@H]1CN(C)CCN1C(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000089938105 395717021 /nfs/dbraw/zinc/71/70/21/395717021.db2.gz IQNMRGCBAZPMOB-GFCCVEGCSA-N 0 0 316.361 0.666 50 0 DCAARN C/C=C\Cn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000033926688 395717792 /nfs/dbraw/zinc/71/77/92/395717792.db2.gz VPBWGXVDCJZWOM-ARJAWSKDSA-N 0 0 303.366 0.990 50 0 DCAARN O=S(=O)(NCc1ccccn1)c1ccc2no[n+]([O-])c2c1 ZINC000035606298 395721126 /nfs/dbraw/zinc/72/11/26/395721126.db2.gz IFGTZVCGSQOYGW-UHFFFAOYSA-N 0 0 306.303 0.335 50 0 DCAARN CCS(=O)(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000036056735 395721962 /nfs/dbraw/zinc/72/19/62/395721962.db2.gz FXUCQFKSGRMGMU-UHFFFAOYSA-N 0 0 317.455 0.403 50 0 DCAARN Cc1ccc(N2C(=O)C[C@@H](N3CCC[C@H](C(N)=O)C3)C2=O)cc1 ZINC000036038045 395721989 /nfs/dbraw/zinc/72/19/89/395721989.db2.gz RDWXBOXVQALVDI-GXTWGEPZSA-N 0 0 315.373 0.824 50 0 DCAARN CCN1CCN(S(=O)(=O)c2csc(C(N)=O)c2)CC1 ZINC000035784159 395722009 /nfs/dbraw/zinc/72/20/09/395722009.db2.gz URVSYXLIYCYUNM-UHFFFAOYSA-N 0 0 303.409 0.173 50 0 DCAARN O=C(c1cccnc1)N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000036360890 395723398 /nfs/dbraw/zinc/72/33/98/395723398.db2.gz KBDMUBGKMXXARB-UHFFFAOYSA-N 0 0 309.333 0.710 50 0 DCAARN CNC(=O)CN(C)S(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000027955692 395695528 /nfs/dbraw/zinc/69/55/28/395695528.db2.gz ONRNINKMGOCGIR-UHFFFAOYSA-N 0 0 316.379 0.379 50 0 DCAARN Cc1cccc(NC(=O)Cc2cnc3n2c(=O)[nH]c(=O)n3C)c1 ZINC000028527132 395696029 /nfs/dbraw/zinc/69/60/29/395696029.db2.gz RMRXGKQGIIQFPB-UHFFFAOYSA-N 0 0 313.317 0.211 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)c1ccccn1 ZINC000028784234 395696208 /nfs/dbraw/zinc/69/62/08/395696208.db2.gz ZCDZKAXTDXLMKO-SNVBAGLBSA-N 0 0 302.334 0.577 50 0 DCAARN c1cnnc(NC[C@@H]2CN(Cc3nnnn3C3CC3)CCO2)c1 ZINC000084429238 395697389 /nfs/dbraw/zinc/69/73/89/395697389.db2.gz CQSIVDUFWKMWBS-GFCCVEGCSA-N 0 0 316.369 0.111 50 0 DCAARN C[C@@H](NC(=O)NC(C(N)=O)C(N)=O)c1ccc2c(c1)CCCC2 ZINC000029331758 395697596 /nfs/dbraw/zinc/69/75/96/395697596.db2.gz USIBWDATFOVIDX-SECBINFHSA-N 0 0 318.377 0.265 50 0 DCAARN O=C(c1ccccc1OC[C@H]1CCCO1)N1CCNC(=O)C1 ZINC000029558524 395698640 /nfs/dbraw/zinc/69/86/40/395698640.db2.gz NPOMJPDCVXZGCY-GFCCVEGCSA-N 0 0 304.346 0.816 50 0 DCAARN COC(=O)c1nnn(Cc2ccccc2OC)c1C(=O)OC ZINC000039933017 395732807 /nfs/dbraw/zinc/73/28/07/395732807.db2.gz CBIJVJXYLXGPBU-UHFFFAOYSA-N 0 0 305.290 0.908 50 0 DCAARN CCOC(=O)CC1(CCC(=O)OC)C(=O)OC(C)(C)OC1=O ZINC000038248113 395731967 /nfs/dbraw/zinc/73/19/67/395731967.db2.gz LBKQLIAZEIBNSX-UHFFFAOYSA-N 0 0 316.306 0.715 50 0 DCAARN O=C(CCN1C(=O)COc2ccccc21)N1CCC[C@H](O)C1 ZINC000040472915 395733638 /nfs/dbraw/zinc/73/36/38/395733638.db2.gz XXHGSGWGNIABRJ-LBPRGKRZSA-N 0 0 304.346 0.785 50 0 DCAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)cc1C(N)=O ZINC000040511350 395734232 /nfs/dbraw/zinc/73/42/32/395734232.db2.gz PGBWVYJNHGTPSH-WDEREUQCSA-N 0 0 312.391 0.892 50 0 DCAARN CS(=O)(=O)NC1CCN(c2cc(Cl)nc(N)n2)CC1 ZINC000040497778 395734307 /nfs/dbraw/zinc/73/43/07/395734307.db2.gz OVBNVIXNXIPZNP-UHFFFAOYSA-N 0 0 305.791 0.230 50 0 DCAARN CCc1nnc(NC(=O)CNC(=O)c2cc(C)nn2C)s1 ZINC000096192407 395748498 /nfs/dbraw/zinc/74/84/98/395748498.db2.gz DGEGTPYAURCPME-UHFFFAOYSA-N 0 0 308.367 0.511 50 0 DCAARN Cn1cnc(S(=O)(=O)NC[C@@](O)(c2ccco2)C2CC2)c1 ZINC000096098344 395744406 /nfs/dbraw/zinc/74/44/06/395744406.db2.gz UGPMBIGPJUMUIQ-ZDUSSCGKSA-N 0 0 311.363 0.589 50 0 DCAARN COc1ccccc1CNC(=O)c1ccc(-n2cncn2)nn1 ZINC000096097838 395744457 /nfs/dbraw/zinc/74/44/57/395744457.db2.gz ZEKWGMDWSGDOQT-UHFFFAOYSA-N 0 0 310.317 0.996 50 0 DCAARN NC(=O)Cc1nc(Cn2nccn2)n(-c2ccccc2F)n1 ZINC000096150153 395745947 /nfs/dbraw/zinc/74/59/47/395745947.db2.gz HOKDYFHVWIBVOU-UHFFFAOYSA-N 0 0 301.285 0.074 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000096418371 395753412 /nfs/dbraw/zinc/75/34/12/395753412.db2.gz ZPXXODGVLQPQFF-UHFFFAOYSA-N 0 0 319.365 0.006 50 0 DCAARN CC(C)C[C@@H](C(=O)NCC[S@](C)=O)N1CCCCC1=O ZINC000096461580 395753736 /nfs/dbraw/zinc/75/37/36/395753736.db2.gz RTGIDBSQHQEXHG-FKIZINRSSA-N 0 0 302.440 0.908 50 0 DCAARN CN(CCn1cnnc1)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000096466228 395753863 /nfs/dbraw/zinc/75/38/63/395753863.db2.gz DEIODAIUSBAQII-AWEZNQCLSA-N 0 0 315.377 0.330 50 0 DCAARN CC(C)CNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)O)cc1 ZINC000097219077 395756060 /nfs/dbraw/zinc/75/60/60/395756060.db2.gz BPERNATVGFDKGI-LLVKDONJSA-N 0 0 314.407 0.732 50 0 DCAARN COc1ccccc1/C(C)=C\C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000097298189 395757071 /nfs/dbraw/zinc/75/70/71/395757071.db2.gz SNWBVBZLTAVLEU-FPAJZGIOSA-N 0 0 304.346 0.811 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)c1ccccc1OCC(N)=O ZINC000046888366 395782351 /nfs/dbraw/zinc/78/23/51/395782351.db2.gz JHGKTVSRFYFLKW-GFCCVEGCSA-N 0 0 321.377 0.001 50 0 DCAARN Cc1cc(C)n2nc(CC(=O)N3C[C@H](C)O[C@@H](C)C3)nc2n1 ZINC000046894682 395782355 /nfs/dbraw/zinc/78/23/55/395782355.db2.gz ZIXOTNFUCTZTDK-RYUDHWBXSA-N 0 0 303.366 0.919 50 0 DCAARN CS(=O)(=O)NCC(=O)N1CCCN(c2ccccc2)CC1 ZINC000193944104 395783719 /nfs/dbraw/zinc/78/37/19/395783719.db2.gz WXGPIYNLGBWJFI-UHFFFAOYSA-N 0 0 311.407 0.275 50 0 DCAARN C[C@@H](Cn1ccnc1)NC(=O)N1CCN(c2cnccn2)CC1 ZINC000047027547 395786225 /nfs/dbraw/zinc/78/62/25/395786225.db2.gz WVUCYEXDADZYFQ-ZDUSSCGKSA-N 0 0 315.381 0.593 50 0 DCAARN O=C([C@@H]1CCC(=O)NC(=O)N1)N1CCC(c2ncc[nH]2)CC1 ZINC000097570935 395758613 /nfs/dbraw/zinc/75/86/13/395758613.db2.gz CETOQINABSSNQM-JTQLQIEISA-N 0 0 305.338 0.104 50 0 DCAARN Cc1cccc(CC(=O)N2CC[N@H+](CC(=O)[O-])C[C@@H](O)C2)c1 ZINC000097532274 395758673 /nfs/dbraw/zinc/75/86/73/395758673.db2.gz KPLFBYANSQRXTO-CQSZACIVSA-N 0 0 306.362 0.127 50 0 DCAARN COCCN(Cc1ccncc1)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000097634975 395759033 /nfs/dbraw/zinc/75/90/33/395759033.db2.gz ZSTINKJJJMHLHI-ZDUSSCGKSA-N 0 0 312.391 0.491 50 0 DCAARN O=C(CCc1ccncc1)NCCS(=O)(=O)N1CCCC1 ZINC000097574977 395759421 /nfs/dbraw/zinc/75/94/21/395759421.db2.gz RWSVGZHFGBHOKU-UHFFFAOYSA-N 0 0 311.407 0.556 50 0 DCAARN O=C([O-])[C@H]1C[NH2+]CCN(C(=O)c2nc3cc(F)ccc3[nH]2)C1 ZINC000097823579 395761000 /nfs/dbraw/zinc/76/10/00/395761000.db2.gz CKBLEHKMLQUGEI-QMMMGPOBSA-N 0 0 306.297 0.448 50 0 DCAARN Cn1c(=O)n(CC(=O)NCc2ccc(F)cc2)c2cncnc21 ZINC000097940794 395761329 /nfs/dbraw/zinc/76/13/29/395761329.db2.gz JRSDYTLKIKFLSN-UHFFFAOYSA-N 0 0 315.308 0.586 50 0 DCAARN CCN(CCc1ccccn1)C(=O)CC[C@H]1NC(=O)NC1=O ZINC000097931246 395761514 /nfs/dbraw/zinc/76/15/14/395761514.db2.gz DFQCQVIAHDZKNC-GFCCVEGCSA-N 0 0 304.350 0.461 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)OCc2cnn(C)c2)c1 ZINC000098074071 395761730 /nfs/dbraw/zinc/76/17/30/395761730.db2.gz YCZSBYLVGDBBHM-UHFFFAOYSA-N 0 0 309.347 0.685 50 0 DCAARN C/C(=C\C(=O)OCC(=O)N1CCNC(=O)C1)c1ccccc1F ZINC000098055342 395761761 /nfs/dbraw/zinc/76/17/61/395761761.db2.gz DRZAJMVDFZTOLX-DHZHZOJOSA-N 0 0 320.320 0.731 50 0 DCAARN CCN1C(=O)C[C@H](N2CCN(c3ccc(Cl)nn3)CC2)C1=O ZINC000101744566 395767067 /nfs/dbraw/zinc/76/70/67/395767067.db2.gz QJJCGFNYIJVRJX-JTQLQIEISA-N 0 0 323.784 0.399 50 0 DCAARN O=C(CCn1cncn1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000046423109 395776342 /nfs/dbraw/zinc/77/63/42/395776342.db2.gz ZXOLEXYJDVNHQL-LBPRGKRZSA-N 0 0 301.354 0.243 50 0 DCAARN Cc1nc(COc2ccccc2C(=O)N2CCNC(=O)C2)no1 ZINC000048251244 395811637 /nfs/dbraw/zinc/81/16/37/395811637.db2.gz DLQCMFSZGPKPLX-UHFFFAOYSA-N 0 0 316.317 0.529 50 0 DCAARN COCCn1c(C)c(C)nc1S[C@@H](C)C(=O)NC(N)=O ZINC000048411578 395814880 /nfs/dbraw/zinc/81/48/80/395814880.db2.gz YGGMAEPPLQOQCN-VIFPVBQESA-N 0 0 300.384 0.822 50 0 DCAARN CN1[C@@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC000112980745 395826629 /nfs/dbraw/zinc/82/66/29/395826629.db2.gz STECJAGHUSJQJN-KLOLGFOXSA-N 0 0 303.358 0.918 50 0 DCAARN COc1ccc(O[C@@H]2CCN(C(=O)N3CCOCC3)C2)nn1 ZINC000225441244 395859676 /nfs/dbraw/zinc/85/96/76/395859676.db2.gz SMOXMXXZLOSKRJ-LLVKDONJSA-N 0 0 308.338 0.391 50 0 DCAARN C[C@H](C(=O)NCC(=O)c1ccccc1)N1CCn2cnnc2C1 ZINC000195576363 395832245 /nfs/dbraw/zinc/83/22/45/395832245.db2.gz WWPBXKXKDHGQPQ-GFCCVEGCSA-N 0 0 313.361 0.481 50 0 DCAARN CS(=O)(=O)CCCNc1ccc2nnc(C(F)(F)F)n2n1 ZINC000049980028 395835268 /nfs/dbraw/zinc/83/52/68/395835268.db2.gz NHBSPVWBOMLELS-UHFFFAOYSA-N 0 0 323.300 0.990 50 0 DCAARN Cn1cc(C(=O)N2CCCC[C@@H]2c2nccs2)c(=O)[nH]c1=O ZINC000215419284 395836639 /nfs/dbraw/zinc/83/66/39/395836639.db2.gz FFZVVWPECMYWOU-SNVBAGLBSA-N 0 0 320.374 0.898 50 0 DCAARN O=C(CN1CC(=O)NC1=O)NCCCn1ncc2ccccc21 ZINC000214954485 395836710 /nfs/dbraw/zinc/83/67/10/395836710.db2.gz WNTXYCWZUWRZDF-UHFFFAOYSA-N 0 0 315.333 0.094 50 0 DCAARN CCCCNc1cc(N2CCN(C(=O)COC)CC2)nc(N)n1 ZINC000225538564 395861484 /nfs/dbraw/zinc/86/14/84/395861484.db2.gz CGGAFUQWGJNZNV-UHFFFAOYSA-N 0 0 322.413 0.566 50 0 DCAARN COCCc1noc([C@H](C)NC(=O)c2ccc(C)[nH]c2=O)n1 ZINC000218963698 395843800 /nfs/dbraw/zinc/84/38/00/395843800.db2.gz BIWYDVWCVIECJA-VIFPVBQESA-N 0 0 306.322 0.746 50 0 DCAARN Cn1ccnc1[C@@H](O)C1CCN(C(=O)CN2CCOC2=O)CC1 ZINC000219290497 395844482 /nfs/dbraw/zinc/84/44/82/395844482.db2.gz FSCPNCPCPBRCNL-ZDUSSCGKSA-N 0 0 322.365 0.144 50 0 DCAARN CC(C)S(=O)(=O)NC[C@H]1CCCN([C@H]2C[C@@H](C)OC2=O)C1 ZINC000051101049 395844535 /nfs/dbraw/zinc/84/45/35/395844535.db2.gz VFNOCBMKPASBTH-UPJWGTAASA-N 0 0 318.439 0.730 50 0 DCAARN Cn1cnnc1CCC(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000220575421 395848958 /nfs/dbraw/zinc/84/89/58/395848958.db2.gz XCPWJAAKBCCKOF-BFQNTYOBSA-N 0 0 315.377 0.771 50 0 DCAARN COc1ccc(C(=O)NCCCc2nnc(N)s2)c(OC)n1 ZINC000222931261 395853219 /nfs/dbraw/zinc/85/32/19/395853219.db2.gz VGDJOJWTJZGGHV-UHFFFAOYSA-N 0 0 323.378 0.895 50 0 DCAARN CCc1nc(C)sc1CNC(=O)CCn1ccc(=O)[nH]c1=O ZINC000223061258 395853386 /nfs/dbraw/zinc/85/33/86/395853386.db2.gz GUPHARPBZXGSMT-UHFFFAOYSA-N 0 0 322.390 0.570 50 0 DCAARN CCc1nccn1CCCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000223514459 395855989 /nfs/dbraw/zinc/85/59/89/395855989.db2.gz RGYVARBQEAVXLZ-UHFFFAOYSA-N 0 0 321.381 0.282 50 0 DCAARN CCCNC(=O)NC(=O)COc1ccc(OC)cc1C(N)=O ZINC000051970750 395857711 /nfs/dbraw/zinc/85/77/11/395857711.db2.gz BBXAQQAOMBHKTD-UHFFFAOYSA-N 0 0 309.322 0.409 50 0 DCAARN O=C(NCCc1ccc2c(c1)OCCO2)[C@H]1CCC(=O)NC1 ZINC000047707641 395800579 /nfs/dbraw/zinc/80/05/79/395800579.db2.gz XVPVCXFFEHMKII-LBPRGKRZSA-N 0 0 304.346 0.643 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 ZINC000053893296 395891038 /nfs/dbraw/zinc/89/10/38/395891038.db2.gz HOIBDMGSIYGWFT-JOYOIKCWSA-N 0 0 319.386 0.823 50 0 DCAARN Cc1nc(NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)sc1C ZINC000054190861 395895543 /nfs/dbraw/zinc/89/55/43/395895543.db2.gz IEVXWCPYAYCRJL-WAYWQWQTSA-N 0 0 320.374 0.809 50 0 DCAARN NS(=O)(=O)c1ccc(CNC(=O)Cc2cccnc2)cc1 ZINC000054293138 395896745 /nfs/dbraw/zinc/89/67/45/395896745.db2.gz YNOFVHBONPZGML-UHFFFAOYSA-N 0 0 305.359 0.588 50 0 DCAARN O=C(CN1CSCC1=O)N1CCN(Cc2cccnc2)CC1 ZINC000054485667 395901298 /nfs/dbraw/zinc/90/12/98/395901298.db2.gz AQJIBOMMQJHFJE-UHFFFAOYSA-N 0 0 320.418 0.259 50 0 DCAARN CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)OC)cc1 ZINC000055421993 395918834 /nfs/dbraw/zinc/91/88/34/395918834.db2.gz CTSPYXVEGKROAA-CQSZACIVSA-N 0 0 306.362 0.949 50 0 DCAARN Cn1cccc(C(=O)NCCCc2cnc3ncnn3c2)c1=O ZINC000238887008 395923105 /nfs/dbraw/zinc/92/31/05/395923105.db2.gz QDVRKDRUMZUZML-UHFFFAOYSA-N 0 0 312.333 0.186 50 0 DCAARN Cn1cc([C@H](NC(=O)COc2cccnc2)[C@H]2C[C@H](O)C2)cn1 ZINC000244866438 395925739 /nfs/dbraw/zinc/92/57/39/395925739.db2.gz VWDLCUZMPMZTGS-AXAPSJFSSA-N 0 0 316.361 0.822 50 0 DCAARN COc1ccc2nnc(CNC(=O)c3cc(C4CC4)n[nH]3)n2n1 ZINC000244969140 395926823 /nfs/dbraw/zinc/92/68/23/395926823.db2.gz HABHNJGAWWGVPD-UHFFFAOYSA-N 0 0 313.321 0.663 50 0 DCAARN CS(=O)(=O)N1CCC(CNC(=O)NC2CCOCC2)CC1 ZINC000225554021 395861721 /nfs/dbraw/zinc/86/17/21/395861721.db2.gz NAGYLRUFXMBQAB-UHFFFAOYSA-N 0 0 319.427 0.136 50 0 DCAARN O=C(NCCS(=O)(=O)CCc1ccccc1)[C@@H]1CCOC1 ZINC000225721109 395862942 /nfs/dbraw/zinc/86/29/42/395862942.db2.gz KSNHHLPMEPGDIJ-CQSZACIVSA-N 0 0 311.403 0.797 50 0 DCAARN CCS[C@@H]1CC[C@@H](N(C)C(=O)C(=O)Nc2ncnn2C)C1 ZINC000225855037 395864583 /nfs/dbraw/zinc/86/45/83/395864583.db2.gz MHMKRBVKGBOBQE-NXEZZACHSA-N 0 0 311.411 0.886 50 0 DCAARN Cc1ccc(N2C(=O)C[C@H](N3CCC[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000226814766 395867397 /nfs/dbraw/zinc/86/73/97/395867397.db2.gz RDWXBOXVQALVDI-OCCSQVGLSA-N 0 0 315.373 0.824 50 0 DCAARN Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1CCC(O)CC1 ZINC000227168581 395867767 /nfs/dbraw/zinc/86/77/67/395867767.db2.gz GBQDODBYYBDONT-UHFFFAOYSA-N 0 0 312.347 0.575 50 0 DCAARN COC(=O)CN(CC(=O)NC(N)=O)Cc1ccccc1Cl ZINC000052864530 395872296 /nfs/dbraw/zinc/87/22/96/395872296.db2.gz HJMWKODMCRRCFH-UHFFFAOYSA-N 0 0 313.741 0.510 50 0 DCAARN C[C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@@H]1N1CCOCC1 ZINC000229303810 395873924 /nfs/dbraw/zinc/87/39/24/395873924.db2.gz GLBXSURCQBMNLL-KFWWJZLASA-N 0 0 312.410 0.361 50 0 DCAARN Cn1cc(N2CCC[C@H](NC(=O)NC[C@@H](O)C3CC3)C2)cn1 ZINC000230162511 395878760 /nfs/dbraw/zinc/87/87/60/395878760.db2.gz WIQQHEJRRDWTCN-GXTWGEPZSA-N 0 0 307.398 0.459 50 0 DCAARN CN1CC[N@H+](CC(=O)[O-])C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000230196605 395879635 /nfs/dbraw/zinc/87/96/35/395879635.db2.gz JPHOXLMIUNEFAN-MRXNPFEDSA-N 0 0 309.410 0.480 50 0 DCAARN COc1ccc(CCNC(=O)N2CCNC(=O)C2)cc1OC ZINC000053518617 395885141 /nfs/dbraw/zinc/88/51/41/395885141.db2.gz CUPPSSKCPHZJNG-UHFFFAOYSA-N 0 0 307.350 0.388 50 0 DCAARN COc1ccnc(N2CCN(C(=O)c3cnn(C)c3C)CC2)n1 ZINC000057253951 395941363 /nfs/dbraw/zinc/94/13/63/395941363.db2.gz YPCARVZRZQMYMM-UHFFFAOYSA-N 0 0 316.365 0.490 50 0 DCAARN CCOc1ccccc1OCCN(C)C(=O)CS(C)(=O)=O ZINC000063871763 395983724 /nfs/dbraw/zinc/98/37/24/395983724.db2.gz USBCTCFTGJQHTJ-UHFFFAOYSA-N 0 0 315.391 0.967 50 0 DCAARN Cc1nc(CCNC(=O)[C@H]2CCS(=O)(=O)C2)sc1C ZINC000151575200 395988445 /nfs/dbraw/zinc/98/84/45/395988445.db2.gz HRYXJOIMJSWCCJ-JTQLQIEISA-N 0 0 302.421 0.853 50 0 DCAARN COCCNC(=O)N1CCN(Cc2ccc(OC)nc2)CC1 ZINC000065267235 395991626 /nfs/dbraw/zinc/99/16/26/395991626.db2.gz LLMVTIHPUAZALE-UHFFFAOYSA-N 0 0 308.382 0.564 50 0 DCAARN CC(=O)N1CCC(C(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)CC1 ZINC000252511082 396022383 /nfs/dbraw/zinc/02/23/83/396022383.db2.gz ZTIODKNBKIEAJC-RBSFLKMASA-N 0 0 310.394 0.698 50 0 DCAARN Cc1cc(N)n(CC(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)n1 ZINC000252536832 396022625 /nfs/dbraw/zinc/02/26/25/396022625.db2.gz JQROZCDNPCMNJW-IFUGULHKSA-N 0 0 318.381 0.136 50 0 DCAARN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000252674579 396024323 /nfs/dbraw/zinc/02/43/23/396024323.db2.gz SILQXJXIBFQIOJ-QJPTWQEYSA-N 0 0 312.391 0.923 50 0 DCAARN CCOc1ccc(CC(=O)N2C[C@@H](COC)[C@H](C(N)=O)C2)cc1 ZINC000253412270 396027042 /nfs/dbraw/zinc/02/70/42/396027042.db2.gz QKWBAPAUIKTCBD-DZGCQCFKSA-N 0 0 320.389 0.834 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)c2nccc3ccccc32)C[C@H]1CO ZINC000253413350 396027986 /nfs/dbraw/zinc/02/79/86/396027986.db2.gz UOKYCMAODYEIPV-GXTWGEPZSA-N 0 0 313.357 0.661 50 0 DCAARN Cc1nc([C@H]2C[C@H](NC(=O)C3=NNC(=O)CC3)C2)cc(=O)[nH]1 ZINC000253535230 396029514 /nfs/dbraw/zinc/02/95/14/396029514.db2.gz KTPKWIAOKIQRAO-KYZUINATSA-N 0 0 303.322 0.119 50 0 DCAARN Cn1cc(N2CCC[C@H](NC(=O)CN3CSCC3=O)C2)cn1 ZINC000154038404 396029895 /nfs/dbraw/zinc/02/98/95/396029895.db2.gz SNQHYOYJMRDFJS-NSHDSACASA-N 0 0 323.422 0.038 50 0 DCAARN Cc1cc(=O)n(CCN(CCO)Cc2ccccc2F)c(=O)[nH]1 ZINC000253537047 396030406 /nfs/dbraw/zinc/03/04/06/396030406.db2.gz VSBOFZHRKBJMGK-UHFFFAOYSA-N 0 0 321.352 0.891 50 0 DCAARN CN(CCc1ccccn1)c1ncccc1CNC(=O)C(N)=O ZINC000067772392 396033194 /nfs/dbraw/zinc/03/31/94/396033194.db2.gz HFZFFDRXJOCTEG-UHFFFAOYSA-N 0 0 313.361 0.257 50 0 DCAARN CC(=O)N[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@H]1CO ZINC000257183196 396034027 /nfs/dbraw/zinc/03/40/27/396034027.db2.gz HHOCKVFMNPCNRW-GXFFZTMASA-N 0 0 302.334 0.132 50 0 DCAARN CN(CCc1nc2cc(F)ccc2[nH]1)C(=O)CS(C)(=O)=O ZINC000067821462 396034667 /nfs/dbraw/zinc/03/46/67/396034667.db2.gz KQBQNFXGXRBERD-UHFFFAOYSA-N 0 0 313.354 0.748 50 0 DCAARN CC(=O)N[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@H]1CO ZINC000257187005 396034807 /nfs/dbraw/zinc/03/48/07/396034807.db2.gz LDXZBLZYHBVOSL-GOEBONIOSA-N 0 0 313.357 0.804 50 0 DCAARN COc1ccc(C(=O)N2CCOCCNC(=O)CC2)cc1F ZINC000257190822 396035112 /nfs/dbraw/zinc/03/51/12/396035112.db2.gz PBBSHBDGCSHGLP-UHFFFAOYSA-N 0 0 310.325 0.813 50 0 DCAARN Cc1cc(C)n(CCCC(=O)N2CC[N@@H+](C)[C@@H](C(=O)[O-])C2)n1 ZINC000067894377 396037954 /nfs/dbraw/zinc/03/79/54/396037954.db2.gz MMDOLUJHMQKVAE-CYBMUJFWSA-N 0 0 308.382 0.507 50 0 DCAARN Cc1nc2cccc(C(=O)N3CC[N@@H+](C)[C@@H](C(=O)[O-])C3)c2[nH]1 ZINC000067881589 396038141 /nfs/dbraw/zinc/03/81/41/396038141.db2.gz DSMQLVRCEGRPLQ-GFCCVEGCSA-N 0 0 302.334 0.712 50 0 DCAARN CCC[C@@H](NC(N)=O)C(=O)NCCNC(=O)c1ccccc1F ZINC000068027399 396043032 /nfs/dbraw/zinc/04/30/32/396043032.db2.gz XIAWUDLDERJKAP-GFCCVEGCSA-N 0 0 324.356 0.509 50 0 DCAARN CCCc1nc(CN2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)no1 ZINC000257366190 396047022 /nfs/dbraw/zinc/04/70/22/396047022.db2.gz MNNRTRZWZZYFDQ-BMIGLBTASA-N 0 0 321.381 0.832 50 0 DCAARN CC(=O)N1CCN([C@@H]2CN([C@@H](C)c3nc(C)no3)C[C@H]2C)CC1 ZINC000257366476 396047129 /nfs/dbraw/zinc/04/71/29/396047129.db2.gz ZZLMRJKDPZXNCX-TYNCELHUSA-N 0 0 321.425 0.923 50 0 DCAARN CN(C)S(=O)(=O)/C=C/c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000068755429 396062888 /nfs/dbraw/zinc/06/28/88/396062888.db2.gz MVYUHWBCNVAUKN-MDZDMXLPSA-N 0 0 318.420 0.799 50 0 DCAARN CN(C[C@H](O)CN1CCOCC1)c1noc(-c2ccccc2)n1 ZINC000157910813 396064007 /nfs/dbraw/zinc/06/40/07/396064007.db2.gz KWEJWYJEHLTWOQ-AWEZNQCLSA-N 0 0 318.377 0.866 50 0 DCAARN CC(C)(C)n1ncc2c1nc(N1CCC[C@@H](C(N)=O)C1)[nH]c2=O ZINC000068880920 396065465 /nfs/dbraw/zinc/06/54/65/396065465.db2.gz FNWJATGRYHCWRP-SECBINFHSA-N 0 0 318.381 0.576 50 0 DCAARN O=C(NCCS(=O)(=O)N1CCc2ccccc21)[C@@H]1CCOC1 ZINC000069656296 396085800 /nfs/dbraw/zinc/08/58/00/396085800.db2.gz NWTUPOHIOIPRSP-CYBMUJFWSA-N 0 0 324.402 0.532 50 0 DCAARN O=C(CCn1cncn1)NCc1ccnc(O[C@H]2CCOC2)c1 ZINC000163173613 396086157 /nfs/dbraw/zinc/08/61/57/396086157.db2.gz DZNZVSCQSGHMSM-ZDUSSCGKSA-N 0 0 317.349 0.547 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)Cc2cccs2)CC1 ZINC000069739951 396088378 /nfs/dbraw/zinc/08/83/78/396088378.db2.gz QZTHIPBABQFXGF-ZDUSSCGKSA-N 0 0 312.435 0.832 50 0 DCAARN CCOCCN1CCN(CCS(=O)(=O)C(F)(F)F)CC1 ZINC000069738312 396088730 /nfs/dbraw/zinc/08/87/30/396088730.db2.gz DJTSVUGRCDPAIP-UHFFFAOYSA-N 0 0 318.361 0.575 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC000069742769 396089223 /nfs/dbraw/zinc/08/92/23/396089223.db2.gz SKFRMLXYYQTXGR-HOCLYGCPSA-N 0 0 305.422 0.814 50 0 DCAARN C[C@H](c1cccs1)N(C)C(=O)CN1CCN(CCO)CC1 ZINC000069772119 396089467 /nfs/dbraw/zinc/08/94/67/396089467.db2.gz TYFFQFRVRPNLSW-CYBMUJFWSA-N 0 0 311.451 0.877 50 0 DCAARN CCC(=O)N1CC[C@@H](Oc2nccnc2N2CCOCC2)C1 ZINC000169750292 396090697 /nfs/dbraw/zinc/09/06/97/396090697.db2.gz PMNURMQUODPOJE-GFCCVEGCSA-N 0 0 306.366 0.703 50 0 DCAARN CCOCC(=O)NC1CCN(c2cnn(CC)c(=O)c2)CC1 ZINC000169762305 396090965 /nfs/dbraw/zinc/09/09/65/396090965.db2.gz FMLZXKPGQAASGU-UHFFFAOYSA-N 0 0 308.382 0.385 50 0 DCAARN CC(C)=CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 ZINC000069841269 396092425 /nfs/dbraw/zinc/09/24/25/396092425.db2.gz KPZQPNVESYWXJW-OLZOCXBDSA-N 0 0 300.424 0.720 50 0 DCAARN c1nnc2ccc(N3CCN(C[C@@H]4CCCCO4)CC3)nn12 ZINC000069871072 396092712 /nfs/dbraw/zinc/09/27/12/396092712.db2.gz OUIROYZLAXHMLY-ZDUSSCGKSA-N 0 0 302.382 0.815 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)NC[C@H]1CCCCC(=O)N1 ZINC000169785186 396092707 /nfs/dbraw/zinc/09/27/07/396092707.db2.gz ZXXSZFXSVCOTQQ-LLVKDONJSA-N 0 0 317.345 0.770 50 0 DCAARN O=C(c1cscn1)N1CCc2nn(CC3CC3)c(=O)n2CC1 ZINC000169790159 396093465 /nfs/dbraw/zinc/09/34/65/396093465.db2.gz JHWRKPGEBQVKFK-UHFFFAOYSA-N 0 0 319.390 0.610 50 0 DCAARN CN(C)S(=O)(=O)CCCOn1nnc2ccc(Cl)cc21 ZINC000069898889 396093642 /nfs/dbraw/zinc/09/36/42/396093642.db2.gz JSGNJLJMHHQGDQ-UHFFFAOYSA-N 0 0 318.786 0.795 50 0 DCAARN Cc1nc(S(=O)(=O)NC[C@H](C)N2CCCCC2=O)cn1C ZINC000170619812 396096060 /nfs/dbraw/zinc/09/60/60/396096060.db2.gz VSAKEFNFRCSYHH-JTQLQIEISA-N 0 0 314.411 0.408 50 0 DCAARN Cc1csc(=O)n1CCC(=O)OCCN1CCOC[C@@H]1C ZINC000170616647 396096083 /nfs/dbraw/zinc/09/60/83/396096083.db2.gz OHEWUODKHKICSV-NSHDSACASA-N 0 0 314.407 0.872 50 0 DCAARN COC(=O)C(C)(C)NC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000170617153 396096272 /nfs/dbraw/zinc/09/62/72/396096272.db2.gz KKGLZFWOLRJMJM-SECBINFHSA-N 0 0 322.365 0.860 50 0 DCAARN COC(=O)[C@H](C)NC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000170625456 396096418 /nfs/dbraw/zinc/09/64/18/396096418.db2.gz USHMHJXQIQYLRB-NSHDSACASA-N 0 0 315.329 0.588 50 0 DCAARN CCc1nnc2n1CCN(C(=O)c1cccc(-n3cnnn3)c1)C2 ZINC000069973094 396097112 /nfs/dbraw/zinc/09/71/12/396097112.db2.gz LDQILYQXPGCJPJ-UHFFFAOYSA-N 0 0 324.348 0.472 50 0 DCAARN CN(Cc1nnnn1C1CC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000070040891 396098873 /nfs/dbraw/zinc/09/88/73/396098873.db2.gz XLFHYRNVGWOFLG-CYBMUJFWSA-N 0 0 314.397 0.899 50 0 DCAARN Cn1cc([C@H]2CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)cn1 ZINC000071796983 396115534 /nfs/dbraw/zinc/11/55/34/396115534.db2.gz KXCGQOIKIMIJBG-LLVKDONJSA-N 0 0 319.365 0.414 50 0 DCAARN CCC(=O)N1CCCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000071817068 396116167 /nfs/dbraw/zinc/11/61/67/396116167.db2.gz KXMIDBWIXUDURX-UHFFFAOYSA-N 0 0 310.398 0.261 50 0 DCAARN NC(=O)C1(CNC(=O)CCOCc2ccccc2)CCOCC1 ZINC000071820870 396116230 /nfs/dbraw/zinc/11/62/30/396116230.db2.gz ZJMUBBCFCZAGPS-UHFFFAOYSA-N 0 0 320.389 0.992 50 0 DCAARN NC(=O)[C@@H]1Cc2ccccc2CN1CCCN1CCCC1=O ZINC000071824668 396117314 /nfs/dbraw/zinc/11/73/14/396117314.db2.gz SMKIVYMQXHMRSB-HNNXBMFYSA-N 0 0 301.390 0.911 50 0 DCAARN COc1cccc(CO[C@@H](C)C(=O)N2CCNC(=O)CC2)c1 ZINC000071839523 396117704 /nfs/dbraw/zinc/11/77/04/396117704.db2.gz XBNPVJOVMXDNHW-LBPRGKRZSA-N 0 0 306.362 0.949 50 0 DCAARN NC(=O)[C@H](CNC(=O)c1ccc(=O)[nH]c1)Cc1ccc(F)cc1 ZINC000071841568 396118528 /nfs/dbraw/zinc/11/85/28/396118528.db2.gz YSVNCKKEQOPFAV-LBPRGKRZSA-N 0 0 317.320 0.588 50 0 DCAARN CC(C)c1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(C3CC3)C1)C2 ZINC000071864902 396119357 /nfs/dbraw/zinc/11/93/57/396119357.db2.gz OJHSMNDMEBSSMV-NSHDSACASA-N 0 0 317.393 0.755 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)CCCNc2ncccn2)CC1 ZINC000071871240 396120451 /nfs/dbraw/zinc/12/04/51/396120451.db2.gz MJHAPLMWHQZDIN-ZDUSSCGKSA-N 0 0 307.398 0.194 50 0 DCAARN Cc1nc(CN2CCC[C@@H](N(C)CCS(C)(=O)=O)C2)no1 ZINC000071876925 396121066 /nfs/dbraw/zinc/12/10/66/396121066.db2.gz TXNCQHBLMNOAKC-GFCCVEGCSA-N 0 0 316.427 0.319 50 0 DCAARN O[C@H](CN1CCO[C@H](Cn2cncn2)C1)c1ccc(F)cc1F ZINC000071876593 396121767 /nfs/dbraw/zinc/12/17/67/396121767.db2.gz FJYQBIVXOYXEIO-SWLSCSKDSA-N 0 0 324.331 0.991 50 0 DCAARN O=C(CN1CCCC[C@H]1Cn1cncn1)NC1CCOCC1 ZINC000071876460 396121862 /nfs/dbraw/zinc/12/18/62/396121862.db2.gz IMAONNBBBOQCLK-AWEZNQCLSA-N 0 0 307.398 0.428 50 0 DCAARN O=C(COC(=O)[C@H]1C[C@H]1c1ccccc1F)N1CCNC(=O)C1 ZINC000071881748 396122644 /nfs/dbraw/zinc/12/26/44/396122644.db2.gz JKSVVUXSAVAPIM-RYUDHWBXSA-N 0 0 320.320 0.431 50 0 DCAARN CCc1ncc2c(n1)CN(CCN1C(=O)NC(C)(C)C1=O)CC2 ZINC000071880363 396122681 /nfs/dbraw/zinc/12/26/81/396122681.db2.gz ZIFMWKQQRRXPRQ-UHFFFAOYSA-N 0 0 317.393 0.728 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)c2ccc(C)nc2)CC1 ZINC000071882007 396122811 /nfs/dbraw/zinc/12/28/11/396122811.db2.gz MRFVAFYLIGFAEF-OAHLLOKOSA-N 0 0 307.394 0.545 50 0 DCAARN CCN(CC)S(=O)(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000071883475 396123788 /nfs/dbraw/zinc/12/37/88/396123788.db2.gz FBIZVTLNYYBRQV-UHFFFAOYSA-N 0 0 324.406 0.964 50 0 DCAARN O=C(Nc1cc(-n2cnnn2)ccc1Cl)[C@H]1COCCO1 ZINC000071884149 396123866 /nfs/dbraw/zinc/12/38/66/396123866.db2.gz OKPFEWYDCNWWST-LLVKDONJSA-N 0 0 309.713 0.670 50 0 DCAARN Cc1nc(Cl)cc(N2CCC[C@H](CS(N)(=O)=O)C2)n1 ZINC000071899645 396124570 /nfs/dbraw/zinc/12/45/70/396124570.db2.gz OAKXSUGMYQEIDD-VIFPVBQESA-N 0 0 304.803 0.943 50 0 DCAARN COc1c([C@H]2CCCN2CCN2C(=O)CNC2=O)c(C)nn1C ZINC000072253750 396127848 /nfs/dbraw/zinc/12/78/48/396127848.db2.gz VZQLMBWGTLAZHV-LLVKDONJSA-N 0 0 321.381 0.426 50 0 DCAARN Cc1cn2c(n1)CC[C@@H](NC(=O)COCc1nc(C)no1)C2 ZINC000072284665 396129810 /nfs/dbraw/zinc/12/98/10/396129810.db2.gz AABVMYVYVSAMOJ-LLVKDONJSA-N 0 0 305.338 0.531 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2O)C1 ZINC000069347553 396076039 /nfs/dbraw/zinc/07/60/39/396076039.db2.gz YRLNLCXCKCKATH-LBPRGKRZSA-N 0 0 312.391 0.475 50 0 DCAARN C[C@@H]1CCCCN1C(=O)CCNC(=O)c1ccc(=O)n(C)c1 ZINC000069348935 396076128 /nfs/dbraw/zinc/07/61/28/396076128.db2.gz HNLNADKELSSZTE-GFCCVEGCSA-N 0 0 305.378 0.906 50 0 DCAARN CCc1noc([C@@H](C)N2CCN(CCN3CCCC3=O)CC2)n1 ZINC000069443498 396078597 /nfs/dbraw/zinc/07/85/97/396078597.db2.gz YRRCCLCHALRRMZ-CYBMUJFWSA-N 0 0 321.425 0.933 50 0 DCAARN CN1CCN(C(=O)CCCn2nnc(-c3ccccc3)n2)CC1 ZINC000069443027 396078886 /nfs/dbraw/zinc/07/88/86/396078886.db2.gz AEBWUNSZOIGOPB-UHFFFAOYSA-N 0 0 314.393 0.894 50 0 DCAARN Cc1ncc2c(n1)CN(CCN1C(=O)NC(C)(C)C1=O)CC2 ZINC000069568426 396082917 /nfs/dbraw/zinc/08/29/17/396082917.db2.gz VCPPYNKUZYFJHX-UHFFFAOYSA-N 0 0 303.366 0.474 50 0 DCAARN CC(=O)N1CCCC[C@@H]1CC(=O)N1CCN(C[C@H](C)O)CC1 ZINC000075603019 396182462 /nfs/dbraw/zinc/18/24/62/396182462.db2.gz VIKVLTMTGDSQFW-DZGCQCFKSA-N 0 0 311.426 0.303 50 0 DCAARN CCc1n[nH]c(=O)c2cc(S(=O)(=O)NCc3ccco3)cn21 ZINC000075874190 396188981 /nfs/dbraw/zinc/18/89/81/396188981.db2.gz CPQMSEFIWAIRER-UHFFFAOYSA-N 0 0 322.346 0.657 50 0 DCAARN Cn1c2ccccc2n(CC(=O)N[C@@H]2CCC[C@@H]2C(N)=O)c1=O ZINC000076042442 396191969 /nfs/dbraw/zinc/19/19/69/396191969.db2.gz SUQQTYQBXNKETP-WDEREUQCSA-N 0 0 316.361 0.110 50 0 DCAARN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(N)=O)C2)no1 ZINC000076043740 396192925 /nfs/dbraw/zinc/19/29/25/396192925.db2.gz JLVNOBWSNILJGO-QWRGUYRKSA-N 0 0 307.354 0.832 50 0 DCAARN O=C1[C@H](NCc2nnc3n2CCCC3)CCN1CC(F)(F)F ZINC000076046763 396193238 /nfs/dbraw/zinc/19/32/38/396193238.db2.gz INEHEDYQRWHRTA-SECBINFHSA-N 0 0 317.315 0.867 50 0 DCAARN COc1cccc(C(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)c1 ZINC000262965305 396194740 /nfs/dbraw/zinc/19/47/40/396194740.db2.gz QUKIEMDXYWALSM-CQSZACIVSA-N 0 0 322.361 0.553 50 0 DCAARN CCn1ccnc1CN1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC000076055318 396194874 /nfs/dbraw/zinc/19/48/74/396194874.db2.gz XGUPLTHIODVOLO-GOEBONIOSA-N 0 0 319.453 0.887 50 0 DCAARN Nc1ccnc(CNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)n1 ZINC000178568514 396199415 /nfs/dbraw/zinc/19/94/15/396199415.db2.gz HVKNWHFWUNZWQW-VIFPVBQESA-N 0 0 317.315 0.949 50 0 DCAARN CN1C[C@@H](NS(=O)(=O)c2cccc3nsnc32)CC1=O ZINC000281794173 396240492 /nfs/dbraw/zinc/24/04/92/396240492.db2.gz HJEIEECLFZQBTE-ZETCQYMHSA-N 0 0 312.376 0.200 50 0 DCAARN CN1CC[C@@H](NS(=O)(=O)N2CCC[C@@H]2c2ccco2)C1=O ZINC000078880999 396256171 /nfs/dbraw/zinc/25/61/71/396256171.db2.gz OJEXERYTHMIPRI-GHMZBOCLSA-N 0 0 313.379 0.482 50 0 DCAARN CCCc1nnc([C@H]2CN(CC(=O)N3CCCC3)CCO2)[nH]1 ZINC000078894412 396257252 /nfs/dbraw/zinc/25/72/52/396257252.db2.gz RNVVWASZJIECBM-GFCCVEGCSA-N 0 0 307.398 0.753 50 0 DCAARN CCS(=O)(=O)CCN1CCO[C@H](c2nnc(C(C)C)[nH]2)C1 ZINC000078892728 396257324 /nfs/dbraw/zinc/25/73/24/396257324.db2.gz MBATYOKGBJIGMP-NSHDSACASA-N 0 0 316.427 0.736 50 0 DCAARN CC(=O)c1c(C)nn(CC(=O)N2CCOC[C@H](CO)C2)c1C ZINC000077407627 396221088 /nfs/dbraw/zinc/22/10/88/396221088.db2.gz ZJFKUMLKMLCFKK-ZDUSSCGKSA-N 0 0 309.366 0.170 50 0 DCAARN CC(C)CN1CCN(S(=O)(=O)c2cn(C)cn2)[C@H](C)C1=O ZINC000077407613 396221521 /nfs/dbraw/zinc/22/15/21/396221521.db2.gz AHVILGNSDWBFDP-LLVKDONJSA-N 0 0 314.411 0.298 50 0 DCAARN CCOC(=O)c1coc(N2CCC(NS(C)(=O)=O)CC2)n1 ZINC000077469894 396222844 /nfs/dbraw/zinc/22/28/44/396222844.db2.gz XGDOFWUHQJIZDG-UHFFFAOYSA-N 0 0 317.367 0.369 50 0 DCAARN CC(C)NC(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 ZINC000077564563 396226421 /nfs/dbraw/zinc/22/64/21/396226421.db2.gz BCEFBNWLTJQJDN-ZDUSSCGKSA-N 0 0 323.397 0.083 50 0 DCAARN COCc1ccc(CNC(=O)C(=O)Nc2ccn(C)n2)cc1 ZINC000077696662 396229437 /nfs/dbraw/zinc/22/94/37/396229437.db2.gz BACANGHHUNSTQU-UHFFFAOYSA-N 0 0 302.334 0.821 50 0 DCAARN O=C(CN1CCN(Cc2c[nH]cn2)CC1)N1CCCCCC1 ZINC000179774053 396230097 /nfs/dbraw/zinc/23/00/97/396230097.db2.gz MNYPHONCHYVEIL-UHFFFAOYSA-N 0 0 305.426 0.930 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)NC1Cc2ccccc2C1 ZINC000185717825 396334008 /nfs/dbraw/zinc/33/40/08/396334008.db2.gz BDRRNNWJWYBFTB-AWEZNQCLSA-N 0 0 308.403 0.694 50 0 DCAARN C[C@@H](C(=O)NC(N)=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000186047757 396339965 /nfs/dbraw/zinc/33/99/65/396339965.db2.gz IHPQWICKQDCEBF-GXTWGEPZSA-N 0 0 305.378 0.903 50 0 DCAARN NC(=O)[C@@]1(O)CCCN(c2ncccc2Br)C1 ZINC000284733158 396346363 /nfs/dbraw/zinc/34/63/63/396346363.db2.gz VWOHKXBGLSCIGG-LLVKDONJSA-N 0 0 300.156 0.661 50 0 DCAARN COC(CN(CCCO)S(=O)(=O)N1CCCCCC1)OC ZINC000095946051 292078762 /nfs/dbraw/zinc/07/87/62/292078762.db2.gz FBSKAPWZMJHSFI-UHFFFAOYSA-N 0 0 324.443 0.411 50 0 DCAARN Cc1nonc1CNC(=O)c1ccc2c(c1)ncn2CCO ZINC000584886491 396632050 /nfs/dbraw/zinc/63/20/50/396632050.db2.gz GCAUAWNLHWZGJR-UHFFFAOYSA-N 0 0 301.306 0.650 50 0 DCAARN Cc1cc(CNC(=O)NCCNS(C)(=O)=O)cnc1C ZINC000584885772 396632056 /nfs/dbraw/zinc/63/20/56/396632056.db2.gz CJRNWBXHSOIBQQ-UHFFFAOYSA-N 0 0 300.384 0.047 50 0 DCAARN CC[C@H](Cn1ccnc1)NC(=O)c1c[nH]c2cc(C)nn2c1=O ZINC000584886549 396632104 /nfs/dbraw/zinc/63/21/04/396632104.db2.gz VYESGKQOHFJPRU-LLVKDONJSA-N 0 0 314.349 0.736 50 0 DCAARN CN(CCc1ccccn1)C(=O)NC[C@H]1CN(C)C(=O)CO1 ZINC000584894220 396634504 /nfs/dbraw/zinc/63/45/04/396634504.db2.gz FJRNDLJCKDCXKJ-ZDUSSCGKSA-N 0 0 306.366 0.123 50 0 DCAARN Cc1nnnn1CCC(=O)NCc1[nH]nc2c1CCCCC2 ZINC000584897482 396635274 /nfs/dbraw/zinc/63/52/74/396635274.db2.gz FWKOGMKCSUUHOU-UHFFFAOYSA-N 0 0 303.370 0.680 50 0 DCAARN Cc1cc(C)c(CNC(=O)N2CCO[C@@H](C(=O)N(C)C)C2)cn1 ZINC000584902787 396637232 /nfs/dbraw/zinc/63/72/32/396637232.db2.gz SVBOFPDIYXQTSZ-CQSZACIVSA-N 0 0 320.393 0.697 50 0 DCAARN CC(C)C[C@@H]1COCCN1C(=O)NCC(=O)N=S(C)(C)=O ZINC000585137134 396641491 /nfs/dbraw/zinc/64/14/91/396641491.db2.gz JTHOJXCEAUJNKE-LLVKDONJSA-N 0 0 319.427 0.697 50 0 DCAARN NC(=O)[C@H](c1ccccc1)S(=O)(=O)c1n[nH]c(C2CC2)n1 ZINC000585136606 396641496 /nfs/dbraw/zinc/64/14/96/396641496.db2.gz MUTBHXBCCHCNIL-JTQLQIEISA-N 0 0 306.347 0.682 50 0 DCAARN O=C(Nc1nc[nH]n1)C1CCN(c2cc3c(nn2)CCC3)CC1 ZINC000585150146 396642132 /nfs/dbraw/zinc/64/21/32/396642132.db2.gz CFTSENSNIALWAG-UHFFFAOYSA-N 0 0 313.365 0.939 50 0 DCAARN CNC(=O)NCC(=O)N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000331890563 396878111 /nfs/dbraw/zinc/87/81/11/396878111.db2.gz PLQSXNMWRLUIGT-SECBINFHSA-N 0 0 310.320 0.258 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1Cn1nccn1 ZINC000618254721 396942655 /nfs/dbraw/zinc/94/26/55/396942655.db2.gz FACOJTYGJRSXBI-LLVKDONJSA-N 0 0 311.367 0.736 50 0 DCAARN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCn1cccn1)CC2 ZINC000172592163 158396777 /nfs/dbraw/zinc/39/67/77/158396777.db2.gz ZVPWFTOAWOWIFL-GFCCVEGCSA-N 0 0 317.397 0.912 50 0 DCAARN COCCN1C[C@@H](c2nc(-c3ncc(C)cn3)no2)CC1=O ZINC000329738542 159116389 /nfs/dbraw/zinc/11/63/89/159116389.db2.gz UJZSCVNWDFJAMT-JTQLQIEISA-N 0 0 303.322 0.797 50 0 DCAARN O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1ncccn1 ZINC000330039041 159136836 /nfs/dbraw/zinc/13/68/36/159136836.db2.gz BPPCIOWSOPWKLN-UHFFFAOYSA-N 0 0 320.374 0.471 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cn1 ZINC000330510096 159183246 /nfs/dbraw/zinc/18/32/46/159183246.db2.gz APGRWNNUAKBXOW-SNVBAGLBSA-N 0 0 321.381 0.215 50 0 DCAARN C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000330534496 159188163 /nfs/dbraw/zinc/18/81/63/159188163.db2.gz USBPOOXEHOGYCE-PWSUYJOCSA-N 0 0 313.379 0.128 50 0 DCAARN C[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@H]1N1CCOCC1 ZINC000076052497 286919152 /nfs/dbraw/zinc/91/91/52/286919152.db2.gz GLBXSURCQBMNLL-QLFBSQMISA-N 0 0 312.410 0.361 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN(CCC(N)=O)CC2)cc1 ZINC000025426745 415161346 /nfs/dbraw/zinc/16/13/46/415161346.db2.gz HRFSBAJQIGWLQQ-UHFFFAOYSA-N 0 0 311.407 0.177 50 0 DCAARN Cc1nnc(SCC(=O)NCC2CCCCC2)n(N)c1=O ZINC000002624192 415126315 /nfs/dbraw/zinc/12/63/15/415126315.db2.gz VRFZJZCHENEQMS-UHFFFAOYSA-N 0 0 311.411 0.449 50 0 DCAARN Cn1c(N)c(C(=O)Nc2cccc(Cl)c2)c(=O)n(C)c1=O ZINC000006939257 415136625 /nfs/dbraw/zinc/13/66/25/415136625.db2.gz WIIFSXQWWSTMOP-UHFFFAOYSA-N 0 0 308.725 0.572 50 0 DCAARN CCCn1nnnc1COC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000007017577 415136867 /nfs/dbraw/zinc/13/68/67/415136867.db2.gz BPAUJUYALGVDDM-UHFFFAOYSA-N 0 0 324.362 0.844 50 0 DCAARN COc1ccc(CC(=O)OCc2nc(N)nc(N)n2)c(OC)c1 ZINC000007424988 415140846 /nfs/dbraw/zinc/14/08/46/415140846.db2.gz HGCNYXAKOPLWJH-UHFFFAOYSA-N 0 0 319.321 0.339 50 0 DCAARN C[C@@H](NC(=O)CN1C[C@H](C(N)=O)Oc2ccccc21)C1CC1 ZINC000008780463 415143489 /nfs/dbraw/zinc/14/34/89/415143489.db2.gz ACICUENWHBNYEC-QMTHXVAHSA-N 0 0 303.362 0.654 50 0 DCAARN Cn1nc(Oc2ccc3ccc(=O)oc3c2)c(=O)n(C)c1=O ZINC000007813868 415146838 /nfs/dbraw/zinc/14/68/38/415146838.db2.gz DCZCBAGUASNFPV-UHFFFAOYSA-N 0 0 301.258 0.378 50 0 DCAARN CN(CN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000014167542 415147467 /nfs/dbraw/zinc/14/74/67/415147467.db2.gz PFFOFLNHQZLTRY-JTQLQIEISA-N 0 0 308.359 0.359 50 0 DCAARN C[C@@H]1CN(C(=O)CNc2cccc(-c3nnnn3C)c2)CCO1 ZINC000025705730 415166181 /nfs/dbraw/zinc/16/61/81/415166181.db2.gz FGDWIUFSWAWUOT-LLVKDONJSA-N 0 0 316.365 0.536 50 0 DCAARN Cc1cccc(CS(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000044456980 415220250 /nfs/dbraw/zinc/22/02/50/415220250.db2.gz OPTHAEBCKBADDJ-ZDUSSCGKSA-N 0 0 317.432 0.849 50 0 DCAARN CCc1cccc(N2C[C@H](C(=O)NCCNC(C)=O)CC2=O)c1 ZINC000044301826 415218538 /nfs/dbraw/zinc/21/85/38/415218538.db2.gz VRYNZMMIGHFUMA-CQSZACIVSA-N 0 0 317.389 0.854 50 0 DCAARN Cc1noc(CCCC(=O)NCCN2C[C@@H](C)O[C@H](C)C2)n1 ZINC000044939685 415233772 /nfs/dbraw/zinc/23/37/72/415233772.db2.gz KYTQMWWWCPAKOL-VXGBXAGGSA-N 0 0 310.398 0.926 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)c1cnn(C)c1-n1cccc1 ZINC000044940309 415234888 /nfs/dbraw/zinc/23/48/88/415234888.db2.gz YPEVIEPLTOBFEE-ZDUSSCGKSA-N 0 0 317.393 0.661 50 0 DCAARN O=C(NCc1cccnc1-n1cncn1)N1CCSCC1 ZINC000044969085 415237396 /nfs/dbraw/zinc/23/73/96/415237396.db2.gz PGLASPLSBGVECM-UHFFFAOYSA-N 0 0 304.379 0.921 50 0 DCAARN C[C@H](C(=O)NCc1ccc(Cn2ccnc2)cc1)S(C)(=O)=O ZINC000044955432 415238804 /nfs/dbraw/zinc/23/88/04/415238804.db2.gz WUCDGBJYCDGBIY-GFCCVEGCSA-N 0 0 321.402 0.981 50 0 DCAARN COc1ncccc1CNC(=O)N1CCCN(C(C)=O)CC1 ZINC000044968854 415240377 /nfs/dbraw/zinc/24/03/77/415240377.db2.gz XJZGYIMJLCSRNI-UHFFFAOYSA-N 0 0 306.366 0.854 50 0 DCAARN CC(C)Oc1ncccc1CNC(=O)[C@@H](C)S(C)(=O)=O ZINC000044952755 415240803 /nfs/dbraw/zinc/24/08/03/415240803.db2.gz HBXFYRVQZFIIRK-SNVBAGLBSA-N 0 0 300.380 0.918 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)OC[C@H]2C)n(C)c1 ZINC000045449073 415246200 /nfs/dbraw/zinc/24/62/00/415246200.db2.gz IFOVNAKLQOYTNM-NXEZZACHSA-N 0 0 315.395 0.183 50 0 DCAARN O=C(NCCN1CCOCC1)c1nnc2ccc(Cl)cc2n1 ZINC000046088554 415254021 /nfs/dbraw/zinc/25/40/21/415254021.db2.gz DBWNARXEZFZKBS-UHFFFAOYSA-N 0 0 321.768 0.740 50 0 DCAARN CC(C)CS(=O)(=O)CC(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000047959185 415284642 /nfs/dbraw/zinc/28/46/42/415284642.db2.gz KTTOZCBLAYIUDD-ZDUSSCGKSA-N 0 0 312.391 0.400 50 0 DCAARN C[C@H](NC(=O)N1CCN(c2nccs2)CC1)c1nncn1C ZINC000046961831 415264673 /nfs/dbraw/zinc/26/46/73/415264673.db2.gz OIMRKIRDPDNGMQ-JTQLQIEISA-N 0 0 321.410 0.864 50 0 DCAARN NC(=O)CN1CCCN(C(=O)NCCc2ccc(F)cc2)CC1 ZINC000047672038 415280561 /nfs/dbraw/zinc/28/05/61/415280561.db2.gz KQYOOEVYRNGULP-UHFFFAOYSA-N 0 0 322.384 0.571 50 0 DCAARN COc1ccccc1CCNC(=O)Cn1nc(C)ccc1=O ZINC000044394479 415220801 /nfs/dbraw/zinc/22/08/01/415220801.db2.gz KDHLYZUCNLUNKU-UHFFFAOYSA-N 0 0 301.346 0.919 50 0 DCAARN C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccn1 ZINC000044369864 415221223 /nfs/dbraw/zinc/22/12/23/415221223.db2.gz MYDYYDOQFXKUKG-RYUDHWBXSA-N 0 0 311.407 0.930 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)c1cncn1-c1ccccc1 ZINC000044706581 415223838 /nfs/dbraw/zinc/22/38/38/415223838.db2.gz MUCZJRDWKKNYOC-UHFFFAOYSA-N 0 0 322.390 0.541 50 0 DCAARN Cc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)[nH]c2c1C(=O)CCC2 ZINC000044873752 415228029 /nfs/dbraw/zinc/22/80/29/415228029.db2.gz HXJUXLIZDYSSGT-VIFPVBQESA-N 0 0 310.375 0.759 50 0 DCAARN CCN(CC)S(=O)(=O)N1CCN(Cc2nonc2C)CC1 ZINC000048272053 415285632 /nfs/dbraw/zinc/28/56/32/415285632.db2.gz RLNVNDDLQQHMQN-UHFFFAOYSA-N 0 0 317.415 0.082 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000048286350 415285657 /nfs/dbraw/zinc/28/56/57/415285657.db2.gz QZFRALRSLUQXMT-LEWSCRJBSA-N 0 0 324.402 0.379 50 0 DCAARN CCn1cc(NC(=O)Cn2cc(C)c(-c3cnn(C)c3)n2)nn1 ZINC000048284588 415288365 /nfs/dbraw/zinc/28/83/65/415288365.db2.gz WDNDSEZEPSVQDE-UHFFFAOYSA-N 0 0 314.353 0.842 50 0 DCAARN Cn1ccc(C(=O)NCc2ccc(-n3cncn3)nc2)cc1=O ZINC000048301789 415291548 /nfs/dbraw/zinc/29/15/48/415291548.db2.gz HOBXQBFKADFRLN-UHFFFAOYSA-N 0 0 310.317 0.291 50 0 DCAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)NC2(CCOCC2)C1=O ZINC000057947573 415335996 /nfs/dbraw/zinc/33/59/96/415335996.db2.gz WNOXVIXMLLDRLJ-VXGBXAGGSA-N 0 0 323.393 0.877 50 0 DCAARN CN(C)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O ZINC000058158200 415343810 /nfs/dbraw/zinc/34/38/10/415343810.db2.gz GOJOBQUNYBHXIU-ZDUSSCGKSA-N 0 0 314.345 0.719 50 0 DCAARN [NH3+][C@H](CO)C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1 ZINC000067934384 415391401 /nfs/dbraw/zinc/39/14/01/415391401.db2.gz DYGVGNVEWUYJAK-GFCCVEGCSA-N 0 0 305.309 0.685 50 0 DCAARN CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)C(=O)N2CCOCC2)c1C ZINC000068736839 415394100 /nfs/dbraw/zinc/39/41/00/415394100.db2.gz NIVOHYSKDFDXIQ-NSHDSACASA-N 0 0 321.377 0.811 50 0 DCAARN Cc1cccc2nc(CNS(=O)(=O)c3cnn(C)c3)cn21 ZINC000068944214 415397570 /nfs/dbraw/zinc/39/75/70/415397570.db2.gz WQTSWIDUFIWLQN-UHFFFAOYSA-N 0 0 305.363 0.855 50 0 DCAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCCOC[C@@H]2CCOC2)C1 ZINC000068943824 415398444 /nfs/dbraw/zinc/39/84/44/415398444.db2.gz WVWXRWUEQHURLH-MGPQQGTHSA-N 0 0 320.455 0.852 50 0 DCAARN CN1C(=O)CO[C@@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1F ZINC000072241577 415408591 /nfs/dbraw/zinc/40/85/91/415408591.db2.gz MWJRLVYOBWWDME-HUUCEWRRSA-N 0 0 322.336 0.583 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000072242144 415409249 /nfs/dbraw/zinc/40/92/49/415409249.db2.gz APOMQEYJQYGAGI-SWLSCSKDSA-N 0 0 321.352 0.550 50 0 DCAARN CC1(C)C(=O)NCCN1C(=O)c1ccc(N2CCOC2=O)cc1 ZINC000072277481 415415719 /nfs/dbraw/zinc/41/57/19/415415719.db2.gz WDFRQMJQINMVKY-UHFFFAOYSA-N 0 0 317.345 0.994 50 0 DCAARN CCOC(=O)c1n[nH]cc1[C@@H]1CC(=O)NCc2nc(N)sc21 ZINC000067772468 415386283 /nfs/dbraw/zinc/38/62/83/415386283.db2.gz PHCGCXQYSCTWBJ-LURJTMIESA-N 0 0 321.362 0.777 50 0 DCAARN CCN1CCN(C(=O)CCN2CCCCCC2=O)[C@H](C)C1=O ZINC000067790421 415387236 /nfs/dbraw/zinc/38/72/36/415387236.db2.gz XPAUCFOOGLIBDZ-CYBMUJFWSA-N 0 0 309.410 0.858 50 0 DCAARN Cc1cc(C)c(CNC(=O)CS(=O)(=O)C(C)C)c(=O)[nH]1 ZINC000075120520 415437519 /nfs/dbraw/zinc/43/75/19/415437519.db2.gz OWAUPCMIQGHQGY-UHFFFAOYSA-N 0 0 300.380 0.431 50 0 DCAARN Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)N1CCNC1=O ZINC000075132259 415437629 /nfs/dbraw/zinc/43/76/29/415437629.db2.gz HOADHHIBNSMABQ-GFCCVEGCSA-N 0 0 305.382 0.726 50 0 DCAARN Cc1cc(NC(=O)[C@@H]2CCCN(c3ccc(=O)n(C)n3)C2)no1 ZINC000075166425 415440685 /nfs/dbraw/zinc/44/06/85/415440685.db2.gz BHQLNXWYLLNQPG-LLVKDONJSA-N 0 0 317.349 0.932 50 0 DCAARN O=C(c1nnn2c1c(=O)[nH]c1ccccc12)N1CCSCC1 ZINC000075532331 415447917 /nfs/dbraw/zinc/44/79/17/415447917.db2.gz IFDSDBRJWUCTBC-UHFFFAOYSA-N 0 0 315.358 0.760 50 0 DCAARN Cn1ncc2c1nc(N1CCO[C@H](c3nccs3)C1)nc2N ZINC000276264948 415458990 /nfs/dbraw/zinc/45/89/90/415458990.db2.gz NIXANOPUHRXRQD-VIFPVBQESA-N 0 0 317.378 0.980 50 0 DCAARN CC(C)(C)[C@H](NC(=O)c1cccc(-n2cccn2)n1)C(N)=O ZINC000079069943 415468639 /nfs/dbraw/zinc/46/86/39/415468639.db2.gz YYJXZHDRIJRGNW-GFCCVEGCSA-N 0 0 301.350 0.897 50 0 DCAARN Cc1nccn1-c1ccc(CNC(=O)[C@H]2CNC(=O)N2)cc1F ZINC000089735870 415521928 /nfs/dbraw/zinc/52/19/28/415521928.db2.gz QXKARVDUCWHBKU-GFCCVEGCSA-N 0 0 317.324 0.617 50 0 DCAARN CC(C)[C@]1(O)CN(c2cc(N3CCOCC3)nc(N)n2)C[C@H]1C ZINC000091391240 415536808 /nfs/dbraw/zinc/53/68/08/415536808.db2.gz UVBRUTSBVBGQNU-MLGOLLRUSA-N 0 0 321.425 0.739 50 0 DCAARN O=C(NC1CCOCC1)[C@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000095352758 415547112 /nfs/dbraw/zinc/54/71/12/415547112.db2.gz LGTBNVCJBPMBCB-ZDUSSCGKSA-N 0 0 303.362 0.725 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(CN2CCc3cncnc3C2)o1 ZINC000095351545 415549644 /nfs/dbraw/zinc/54/96/44/415549644.db2.gz OBDVFKKUMYQUCL-UHFFFAOYSA-N 0 0 322.390 0.878 50 0 DCAARN CCN1C[C@H](c2nc(CN3CCN(C)CC3)no2)CCC1=O ZINC000095368084 415552370 /nfs/dbraw/zinc/55/23/70/415552370.db2.gz XJVGRNAGWAINEF-GFCCVEGCSA-N 0 0 307.398 0.543 50 0 DCAARN O=C(NCCc1n[nH]c(=O)[n-]1)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095356735 415553366 /nfs/dbraw/zinc/55/33/66/415553366.db2.gz UJHNICHODAZRBG-NSHDSACASA-N 0 0 307.398 0.411 50 0 DCAARN C[C@H](C(=O)N1CCC[C@H]1Cn1cccn1)N1CCN(C)CC1 ZINC000095364975 415554177 /nfs/dbraw/zinc/55/41/77/415554177.db2.gz SVHMWPKVSMIIEJ-CABCVRRESA-N 0 0 305.426 0.510 50 0 DCAARN Cc1ncc(S(C)(=O)=O)c(NCc2nnc3ccccn32)n1 ZINC000095358761 415554477 /nfs/dbraw/zinc/55/44/77/415554477.db2.gz MMIAKRISRMAJTA-UHFFFAOYSA-N 0 0 318.362 0.843 50 0 DCAARN CCCc1nnc(N2CCC3(CC2)NC(N(C)C)=NC3=O)o1 ZINC000095355252 415555740 /nfs/dbraw/zinc/55/57/40/415555740.db2.gz WDYBSCNLOYLROS-UHFFFAOYSA-N 0 0 306.370 0.409 50 0 DCAARN Cc1cc(CNC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)n(C)n1 ZINC000095374369 415557894 /nfs/dbraw/zinc/55/78/94/415557894.db2.gz YDZOAWCHXUBLKK-GFCCVEGCSA-N 0 0 307.398 0.738 50 0 DCAARN CC(=O)N[C@H]1CCN(c2nc(N)[nH+]c(C)c2CCC(=O)[O-])C1 ZINC000095374642 415558577 /nfs/dbraw/zinc/55/85/77/415558577.db2.gz YAARVHMIBODOAL-JTQLQIEISA-N 0 0 307.354 0.099 50 0 DCAARN O=c1[nH]nc2n1CCN(S(=O)(=O)c1ccccc1Cl)C2 ZINC000095941963 415562483 /nfs/dbraw/zinc/56/24/83/415562483.db2.gz KQYLEYHUKAUDAY-UHFFFAOYSA-N 0 0 314.754 0.429 50 0 DCAARN Cc1nc(-c2ncccn2)sc1C(=O)NCc1nc[nH]n1 ZINC000095955823 415563260 /nfs/dbraw/zinc/56/32/60/415563260.db2.gz SLQTXAZMPSIWMV-UHFFFAOYSA-N 0 0 301.335 0.957 50 0 DCAARN C[C@@H](C(=O)N(C)C1CC(O)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000095940295 415563574 /nfs/dbraw/zinc/56/35/74/415563574.db2.gz LAFHXHTVAPWYNN-GCVQQVDUSA-N 0 0 315.366 0.970 50 0 DCAARN Cc1cc(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)on1 ZINC000096005443 415567690 /nfs/dbraw/zinc/56/76/90/415567690.db2.gz ZUKSBHGYNKIOBK-UHFFFAOYSA-N 0 0 313.379 0.669 50 0 DCAARN COCCN1C[C@H](C(=O)Nc2ccc(O)c(OC)c2)CC1=O ZINC000281691495 415568324 /nfs/dbraw/zinc/56/83/24/415568324.db2.gz BPXQNMXPHOGEHJ-SNVBAGLBSA-N 0 0 308.334 0.834 50 0 DCAARN Cc1[nH]cc(C(=O)NC[C@@H](C)CO)c(=O)c1Br ZINC000096004814 415569186 /nfs/dbraw/zinc/56/91/86/415569186.db2.gz CQKMDZPRNALSPM-ZCFIWIBFSA-N 0 0 303.156 0.804 50 0 DCAARN Cc1nnnn1CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000095965695 415569931 /nfs/dbraw/zinc/56/99/31/415569931.db2.gz ITQINEGHJJPOCY-UHFFFAOYSA-N 0 0 315.377 0.846 50 0 DCAARN CC(C)(CN1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 ZINC000097033995 415580425 /nfs/dbraw/zinc/58/04/25/415580425.db2.gz PWCDIFIBTOUGQD-AWEZNQCLSA-N 0 0 301.390 0.607 50 0 DCAARN CN(C[C@H](O)CN1CCOCC1)C(=O)c1cc2sccc2[nH]1 ZINC000097105862 415586575 /nfs/dbraw/zinc/58/65/75/415586575.db2.gz FMOIXLVLZYXBPE-NSHDSACASA-N 0 0 323.418 0.995 50 0 DCAARN O=C(N[C@@H]1C[C@H](O)[C@H](CO)C1)c1cc(-c2ccccc2)n[nH]1 ZINC000107286281 415664936 /nfs/dbraw/zinc/66/49/36/415664936.db2.gz UZYPTTZDNVZLMP-HUBLWGQQSA-N 0 0 301.346 0.938 50 0 DCAARN O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CNC(=O)N1 ZINC000107580490 415667171 /nfs/dbraw/zinc/66/71/71/415667171.db2.gz FGMIOSWPQOVHBF-ZWNOBZJWSA-N 0 0 322.796 0.964 50 0 DCAARN CN1C(=S)N=NC1CNC(=O)c1ccc([S@@](C)=O)cc1 ZINC000109054596 415683709 /nfs/dbraw/zinc/68/37/09/415683709.db2.gz BXBADMRWYNECBD-FQEVSTJZSA-N 0 0 310.404 0.771 50 0 DCAARN O=C(NCCNC(=O)c1cccnc1)NC[C@@H]1CCCCO1 ZINC000299210106 416059978 /nfs/dbraw/zinc/05/99/78/416059978.db2.gz HZUBJUCKUZHWFQ-ZDUSSCGKSA-N 0 0 306.366 0.680 50 0 DCAARN Cn1c(CO)nnc1C1CCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC000299755818 416064190 /nfs/dbraw/zinc/06/41/90/416064190.db2.gz DDXBDKYHEFNEMY-LBPRGKRZSA-N 0 0 322.409 0.830 50 0 DCAARN Cc1noc([C@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)n1 ZINC000299782778 416066990 /nfs/dbraw/zinc/06/69/90/416066990.db2.gz DUYBBAAHVLQXSD-VIFPVBQESA-N 0 0 321.337 0.024 50 0 DCAARN CCN1CCNC(=O)[C@@H]1CC(=O)NCCCc1ccccn1 ZINC000299792474 416069117 /nfs/dbraw/zinc/06/91/17/416069117.db2.gz FZEKNBPPDCCSMW-AWEZNQCLSA-N 0 0 304.394 0.341 50 0 DCAARN Cc1n[nH]c(C)c1CCCN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC000299791782 416069207 /nfs/dbraw/zinc/06/92/07/416069207.db2.gz HXZXROIRGFVMTD-UHFFFAOYSA-N 0 0 321.381 0.312 50 0 DCAARN CC(C)Cc1cc(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)on1 ZINC000299787164 416070179 /nfs/dbraw/zinc/07/01/79/416070179.db2.gz PKXRKBNVAJIDIH-SNVBAGLBSA-N 0 0 315.395 0.624 50 0 DCAARN Cc1csc(CCCNC(=O)[C@@H]2CCC(=O)NC(=O)N2)n1 ZINC000299802038 416071216 /nfs/dbraw/zinc/07/12/16/416071216.db2.gz RFQWEMSJNBKWNO-VIFPVBQESA-N 0 0 310.379 0.489 50 0 DCAARN CN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)c1cnn(C)c1 ZINC000177799015 416153578 /nfs/dbraw/zinc/15/35/78/416153578.db2.gz YPEMTTFQFFCBOZ-LBPRGKRZSA-N 0 0 314.345 0.513 50 0 DCAARN O=S(=O)(c1cccnc1)N1CCS[C@H]2COCC[C@H]21 ZINC000247280013 416332762 /nfs/dbraw/zinc/33/27/62/416332762.db2.gz SSOHABSUVWXQKN-NEPJUHHUSA-N 0 0 300.405 0.977 50 0 DCAARN CO[C@@H](C)CS(=O)(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000249467000 416334316 /nfs/dbraw/zinc/33/43/16/416334316.db2.gz GYDQOTRWWFVVRP-JQWIXIFHSA-N 0 0 317.411 0.997 50 0 DCAARN CC(=O)c1cccc(OC[C@H](O)CN2CCC[C@H]2C(N)=O)c1 ZINC000252504992 416334571 /nfs/dbraw/zinc/33/45/71/416334571.db2.gz HLMHICIBRRDPTF-HIFRSBDPSA-N 0 0 306.362 0.579 50 0 DCAARN CCc1nc(N)sc1C(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000215536976 416327221 /nfs/dbraw/zinc/32/72/21/416327221.db2.gz MAFWMHVXNLTGQS-UHFFFAOYSA-N 0 0 321.410 0.364 50 0 DCAARN O=C(c1nnc2n1CCCC2)N1CCN(C2CCCC2)C(=O)C1 ZINC000215629700 416327279 /nfs/dbraw/zinc/32/72/79/416327279.db2.gz CNTHYURRHJFPBV-UHFFFAOYSA-N 0 0 317.393 0.841 50 0 DCAARN CCn1ncnc1CN1CCCO[C@H](CN2CCOCC2)C1 ZINC000216236932 416327363 /nfs/dbraw/zinc/32/73/63/416327363.db2.gz WDLVLVTXAXYQCB-CQSZACIVSA-N 0 0 309.414 0.221 50 0 DCAARN CCn1ncnc1CN1CCC[C@H](c2nnc(CO)n2C)C1 ZINC000216242306 416327568 /nfs/dbraw/zinc/32/75/68/416327568.db2.gz BZPWWXAJGQNTOF-NSHDSACASA-N 0 0 305.386 0.298 50 0 DCAARN CCCOCC(=O)N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 ZINC000225417251 416327810 /nfs/dbraw/zinc/32/78/10/416327810.db2.gz RHCSPOZKOJTYTH-LBPRGKRZSA-N 0 0 308.382 0.833 50 0 DCAARN C[C@H](O)CN(CC(=O)N[C@H]1CCCCNC1=O)c1ccccc1 ZINC000241121707 416330017 /nfs/dbraw/zinc/33/00/17/416330017.db2.gz JDIRGLYKHPZYDU-ZFWWWQNUSA-N 0 0 319.405 0.659 50 0 DCAARN Cn1cc(C(=O)NC[C@H](c2ccco2)N2CCSCC2)nn1 ZINC000240002190 416330038 /nfs/dbraw/zinc/33/00/38/416330038.db2.gz POKYTCCHLHBRQV-GFCCVEGCSA-N 0 0 321.406 0.928 50 0 DCAARN Cc1ccc2c(c1)nc(CNC(=O)N1CCNC(=O)C1)n2C ZINC000240444182 416330097 /nfs/dbraw/zinc/33/00/97/416330097.db2.gz FWKPVVDROQBHGV-UHFFFAOYSA-N 0 0 301.350 0.523 50 0 DCAARN CC(C)Cc1cc(C(=O)N2Cc3cnn(CCO)c3C2)[nH]n1 ZINC000244734321 416330905 /nfs/dbraw/zinc/33/09/05/416330905.db2.gz NDIDIBPYFHZZJC-UHFFFAOYSA-N 0 0 303.366 0.953 50 0 DCAARN Cn1nc(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)ccc1=O ZINC000244691718 416330953 /nfs/dbraw/zinc/33/09/53/416330953.db2.gz JHZQZHRPHSQLOG-UEKVPHQBSA-N 0 0 314.345 0.417 50 0 DCAARN CC(C)Cc1cc(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)nc(N)n1 ZINC000534581717 416507713 /nfs/dbraw/zinc/50/77/13/416507713.db2.gz JOCNJZSETGRDQC-VXGBXAGGSA-N 0 0 317.393 0.807 50 0 DCAARN COc1ccc([C@@H]2OCC[C@H]2NC(=O)Nc2nc(C)no2)cn1 ZINC000623086956 416743937 /nfs/dbraw/zinc/74/39/37/416743937.db2.gz ULVGHCSWIWWQBN-PWSUYJOCSA-N 0 0 319.321 0.855 50 0 DCAARN C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1ccn2nnnc2c1 ZINC000614708055 416694170 /nfs/dbraw/zinc/69/41/70/416694170.db2.gz DCCROBMESAQOQA-IONNQARKSA-N 0 0 315.255 0.916 50 0 DCAARN CCOC[C@@H]1CN(C(=O)N[C@H](C(=O)NC)C(C)C)CCO1 ZINC000527888058 417282358 /nfs/dbraw/zinc/28/23/58/417282358.db2.gz QFEBVZTYSVGEHL-RYUDHWBXSA-N 0 0 301.387 0.204 50 0 DCAARN O=C1Nc2ccccc2C[C@@H]1NS(=O)(=O)C[C@H]1CCOC1 ZINC000528541683 417356411 /nfs/dbraw/zinc/35/64/11/417356411.db2.gz IOUAGRVYULYICG-GWCFXTLKSA-N 0 0 310.375 0.506 50 0 DCAARN CCn1ncc(CNC(=O)Nc2ccnn2C[C@@H]2CCOC2)n1 ZINC000529064649 417413455 /nfs/dbraw/zinc/41/34/55/417413455.db2.gz AOOHBAPKKZXPNA-NSHDSACASA-N 0 0 319.369 0.853 50 0 DCAARN O=C(c1cnccn1)N1CC(n2cc(COCC3CC3)nn2)C1 ZINC000575552629 417539453 /nfs/dbraw/zinc/53/94/53/417539453.db2.gz GOYYQSVFGYKHGO-UHFFFAOYSA-N 0 0 314.349 0.692 50 0 DCAARN COc1nc(CNS(=O)(=O)c2cccs2)nc(OC)n1 ZINC000575603858 417540363 /nfs/dbraw/zinc/54/03/63/417540363.db2.gz LYDSSBIEVLGXAC-UHFFFAOYSA-N 0 0 316.364 0.429 50 0 DCAARN COc1nc(CNC(=O)c2cccnc2)nc(N2CCCC2)n1 ZINC000575607720 417541439 /nfs/dbraw/zinc/54/14/39/417541439.db2.gz PSBWSIXROCTPEL-UHFFFAOYSA-N 0 0 314.349 0.805 50 0 DCAARN Cn1nccc1-c1ccc(CNC(=O)Cn2ncccc2=O)cn1 ZINC000575621091 417541933 /nfs/dbraw/zinc/54/19/33/417541933.db2.gz YAZDAQDLPYSNLH-UHFFFAOYSA-N 0 0 324.344 0.355 50 0 DCAARN Cn1cnnc1CCNC(=O)[C@@H]1CCCCN1C(=O)C1CC1 ZINC000299800854 229461135 /nfs/dbraw/zinc/46/11/35/229461135.db2.gz SRTGGNAPQWRYAY-LBPRGKRZSA-N 0 0 305.382 0.265 50 0 DCAARN C=CC(=O)NCc1ccc(C(=O)NN2CCCNC2=O)cc1 ZINC000490676647 272079375 /nfs/dbraw/zinc/07/93/75/272079375.db2.gz WFIHNGFAJWEKIP-UHFFFAOYSA-N 0 0 302.334 0.549 50 0 DCAARN COCCOc1cccc(C(=O)N2CC3(C2)CN(C)C(=O)O3)c1 ZINC000496109409 272294071 /nfs/dbraw/zinc/29/40/71/272294071.db2.gz VIRAASAFBHKMDJ-UHFFFAOYSA-N 0 0 320.345 0.988 50 0 DCAARN CC(C)c1ocnc1C(=O)N1CCn2c(C(N)=O)cnc2C1 ZINC000065386582 276079361 /nfs/dbraw/zinc/07/93/61/276079361.db2.gz AYACMGWWHRBOOD-UHFFFAOYSA-N 0 0 303.322 0.749 50 0 DCAARN CCOc1ncccc1C(=O)N[C@@H]1CCc2n[nH]c(=O)cc2C1 ZINC000244933168 276501620 /nfs/dbraw/zinc/50/16/20/276501620.db2.gz CETONWTTXYWUHW-LLVKDONJSA-N 0 0 314.345 0.851 50 0 DCAARN COC(=O)[C@H]1SC[C@@H]2C(=O)N(Cc3ccccc3)CC(=O)N12 ZINC000003048338 277141660 /nfs/dbraw/zinc/14/16/60/277141660.db2.gz VCXUJZJMURAMLH-BXUZGUMPSA-N 0 0 320.370 0.472 50 0 DCAARN CN1c2ccccc2N(C(=O)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000225449800 277217531 /nfs/dbraw/zinc/21/75/31/277217531.db2.gz IZSZFLWVDVWGOQ-JTQLQIEISA-N 0 0 308.359 0.431 50 0 DCAARN COc1cc2c(cc1OC)-c1c(C=O)c(=O)[nH]c(=O)n1CC2 ZINC000002111911 277393190 /nfs/dbraw/zinc/39/31/90/277393190.db2.gz HBJHUJYZKAJOFS-UHFFFAOYSA-N 0 0 302.286 0.589 50 0 biogenic DCAARN COc1ncnc2c1N[C@@H](C)c1c(=O)n(C)c(=O)n(C)c1S2 ZINC000012390397 277489887 /nfs/dbraw/zinc/48/98/87/277489887.db2.gz AOSRZRMYKBTFAK-LURJTMIESA-N 0 0 321.362 0.520 50 0 DCAARN CC(C)C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCc2nnnn2CC1 ZINC000328598738 279202701 /nfs/dbraw/zinc/20/27/01/279202701.db2.gz OGQMAGUNHWZBLV-RYUDHWBXSA-N 0 0 320.397 0.839 50 0 DCAARN CCN[C@@H]1C[C@@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 ZINC000001530620 279508483 /nfs/dbraw/zinc/50/84/83/279508483.db2.gz IAVUPMFITXYVAF-HTRCEHHLSA-N 0 0 324.449 0.612 50 0 in-vitro DCAARN CCS(=O)(=O)c1ccc2c(c1)N1CCS(=O)(=O)N=C1O2 ZINC000007777897 280032144 /nfs/dbraw/zinc/03/21/44/280032144.db2.gz ULZWOLDTOHJKNW-UHFFFAOYSA-N 0 0 316.360 0.378 50 0 DCAARN Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)n1 ZINC000012231343 280441518 /nfs/dbraw/zinc/44/15/18/280441518.db2.gz AZBXDCDXABNGMB-UHFFFAOYSA-N 0 0 316.365 0.817 50 0 DCAARN Cc1ccc(-c2nnc3n(C)c4c(n23)n(C)c(=O)n(C)c4=O)cc1 ZINC000000988063 280733775 /nfs/dbraw/zinc/73/37/75/280733775.db2.gz CROFQOQAOZPRRJ-UHFFFAOYSA-N 0 0 324.344 0.594 50 0 DCAARN CC[C@H]1CN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CCO1 ZINC000065612587 288265935 /nfs/dbraw/zinc/26/59/35/288265935.db2.gz ZHVXANXDHORJFT-RYUDHWBXSA-N 0 0 304.412 0.438 50 0 DCAARN C[NH+](C)CCN(CC(=O)[O-])C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000322479268 289133826 /nfs/dbraw/zinc/13/38/26/289133826.db2.gz JXZJXLFCAAXIAM-GQCTYLIASA-N 0 0 320.345 0.903 50 0 DCAARN C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@H]1COc2ccccc2C1 ZINC000237131293 289134669 /nfs/dbraw/zinc/13/46/69/289134669.db2.gz WUCJZBMJSMZMLF-CYBMUJFWSA-N 0 0 306.362 0.713 50 0 DCAARN CN1C(=O)CO[C@H](C(=O)NCCCO)[C@@H]1c1cccc(F)c1 ZINC000072241747 289815982 /nfs/dbraw/zinc/81/59/82/289815982.db2.gz XXSPPEVCEZCFFH-KBPBESRZSA-N 0 0 310.325 0.223 50 0 DCAARN Cc1nc(NC(=O)Cn2cnc3c(cnn3C)c2=O)sc1C ZINC000014778971 293313718 /nfs/dbraw/zinc/31/37/18/293313718.db2.gz VNFCSWSWCJFVAE-UHFFFAOYSA-N 0 0 318.362 0.842 50 0 DCAARN CO[C@@H](C(=O)N1C[C@H]([NH+](C)C)C[C@H]1C(=O)[O-])c1ccccc1 ZINC000223068490 293391194 /nfs/dbraw/zinc/39/11/94/293391194.db2.gz RFCWRPAIVNKYGL-HZSPNIEDSA-N 0 0 306.362 0.990 50 0 DCAARN Cn1c(=O)cc(C(=O)N2CCC[C@]3(CCCO3)CC2)n(C)c1=O ZINC000097634999 294139043 /nfs/dbraw/zinc/13/90/43/294139043.db2.gz UNZRJHWYIIJJRX-INIZCTEOSA-N 0 0 321.377 0.259 50 0 DCAARN Cn1c(Cn2c(=O)sc3c2CCCCC3)cc(=O)n(C)c1=O ZINC000079090110 294158725 /nfs/dbraw/zinc/15/87/25/294158725.db2.gz HXYXOIXYOATNSR-UHFFFAOYSA-N 0 0 321.402 0.624 50 0 DCAARN COc1ccc(N2C(=S)N(C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000004168734 295156217 /nfs/dbraw/zinc/15/62/17/295156217.db2.gz TVGQPNZXHRTQKC-NWDGAFQWSA-N 0 0 312.416 0.898 50 0 DCAARN COc1ccc(OC)c([C@@H]2NC(=O)NC3=C2C(=O)N(C)C3)c1 ZINC000007991002 295181536 /nfs/dbraw/zinc/18/15/36/295181536.db2.gz WDMNSYQAMDGSMH-ZDUSSCGKSA-N 0 0 303.318 0.784 50 0 DCAARN COc1ccc([C@@H]2[C@H](C(=O)NCCO)CCC(=O)N2C)cc1 ZINC000072241994 295231841 /nfs/dbraw/zinc/23/18/41/295231841.db2.gz DSXYKMVGHXBEMK-UKRRQHHQSA-N 0 0 306.362 0.713 50 0 DCAARN Nc1ccnc(N2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)n1 ZINC000082121615 295365764 /nfs/dbraw/zinc/36/57/64/295365764.db2.gz PZGWESJJKDDPKB-INIZCTEOSA-N 0 0 319.409 0.650 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)[C@@H]1COc2ccccc2C1 ZINC000044907883 295525581 /nfs/dbraw/zinc/52/55/81/295525581.db2.gz SLRQOPZFTFLEFW-LBPRGKRZSA-N 0 0 312.391 0.293 50 0 DCAARN Cn1cnc(S(=O)(=O)N(CC(N)=O)C2CCCC2)c1Cl ZINC000038109998 303016893 /nfs/dbraw/zinc/01/68/93/303016893.db2.gz SLANCVLQYITENW-UHFFFAOYSA-N 0 0 320.802 0.492 50 0 DCAARN O=C(NC[C@H](O)CN1CCOCC1)C1(C(F)(F)F)CCCC1 ZINC000416135850 303801408 /nfs/dbraw/zinc/80/14/08/303801408.db2.gz KXFQRQXQLWZVGJ-NSHDSACASA-N 0 0 324.343 0.918 50 0 DCAARN O=C(c1nc2sccn2c1CN1CC(O)C1)N1CCCC1 ZINC000071404083 331922096 /nfs/dbraw/zinc/92/20/96/331922096.db2.gz ANZPABOAWLENOG-UHFFFAOYSA-N 0 0 306.391 0.808 50 0 DCAARN O=S(=O)(NCc1noc([C@H]2CCCO2)n1)c1cccnc1 ZINC000534578520 334288294 /nfs/dbraw/zinc/28/82/94/334288294.db2.gz MTWMBOBKJNLVFO-SNVBAGLBSA-N 0 0 310.335 0.795 50 0 DCAARN CN1CCN(S(=O)(=O)NCCCOC2CCCCC2)CC1 ZINC000534587279 334292539 /nfs/dbraw/zinc/29/25/39/334292539.db2.gz SGSOBRWXLBFOQJ-UHFFFAOYSA-N 0 0 319.471 0.808 50 0 DCAARN CC(C)[C@H](NC(=O)N1CCS(=O)(=O)CC1)c1nccn1C ZINC000534644075 334306173 /nfs/dbraw/zinc/30/61/73/334306173.db2.gz ZHWXHMYTEOMIEK-NSHDSACASA-N 0 0 314.411 0.557 50 0 DCAARN CC1(C)SC[C@@H](C(=O)NC2(CO)CCCCC2)NC1=O ZINC000534664799 334318566 /nfs/dbraw/zinc/31/85/66/334318566.db2.gz LRXBSUWOVGMBTG-JTQLQIEISA-N 0 0 300.424 0.808 50 0 DCAARN CC(C)C(=O)N1CCC[C@H](NS(=O)(=O)c2cn[nH]c2)C1 ZINC000534667672 334319008 /nfs/dbraw/zinc/31/90/08/334319008.db2.gz ZMWPSNDIWRFTBM-JTQLQIEISA-N 0 0 300.384 0.335 50 0 DCAARN COc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H]3C2=O)[C@H](O)[C@H]4O)cc1 ZINC000252383394 337383698 /nfs/dbraw/zinc/38/36/98/337383698.db2.gz VQUYMXMZIHBLKK-FDFVQJQPSA-N 0 0 303.314 0.172 50 0 DCAARN COc1ccnc(N2CCN(C(=O)[C@@H]3CCCCO3)CC2)n1 ZINC000178824818 341966599 /nfs/dbraw/zinc/96/65/99/341966599.db2.gz OPRWEDUMVQWRCI-LBPRGKRZSA-N 0 0 306.366 0.703 50 0 DCAARN Cn1nnc(CN[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)n1 ZINC000328594994 534332649 /nfs/dbraw/zinc/33/26/49/534332649.db2.gz IAJYCYWMOHITNB-LLVKDONJSA-N 0 0 324.747 0.898 50 0 DCAARN O=S(=O)(c1cn[nH]c1)N1CCN2CCOc3cccc1c32 ZINC000328586969 534875093 /nfs/dbraw/zinc/87/50/93/534875093.db2.gz UEXZHVLYAVIZBC-UHFFFAOYSA-N 0 0 306.347 0.817 50 0 DCAARN Cc1n[nH]c(C)c1NC(=O)CN1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000246576916 526498381 /nfs/dbraw/zinc/49/83/81/526498381.db2.gz ARVMZPBBBBDZME-GHMZBOCLSA-N 0 0 314.411 0.472 50 0 DCAARN CCCCS(=O)(=O)N1CCN(C)[C@@H](c2nccn2C)C1 ZINC000328587571 528716880 /nfs/dbraw/zinc/71/68/80/528716880.db2.gz BTRMFIRYAJRHKA-GFCCVEGCSA-N 0 0 300.428 0.839 50 0 DCAARN Cc1sc(=O)n(CCC(=O)N[C@H]2CCC[C@@H]2C(N)=O)c1C ZINC000084061883 545698376 /nfs/dbraw/zinc/69/83/76/545698376.db2.gz YPMMDOCLFRKTRN-QWRGUYRKSA-N 0 0 311.407 0.687 50 0 DCAARN CN(C(=O)c1cc2c([nH]c1=O)CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000083855731 545698550 /nfs/dbraw/zinc/69/85/50/545698550.db2.gz BTZDYYVGYIJIOK-JTQLQIEISA-N 0 0 310.375 0.123 50 0 DCAARN CCc1nnc([C@H]2CN(CC(=O)Nc3nccs3)CCO2)[nH]1 ZINC000083830098 545698623 /nfs/dbraw/zinc/69/86/23/545698623.db2.gz ONVFHIHFJDLUKE-SECBINFHSA-N 0 0 322.394 0.836 50 0 DCAARN Cc1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 ZINC000084296976 545699979 /nfs/dbraw/zinc/69/99/79/545699979.db2.gz NGAUTSQPVUKWEQ-LBPRGKRZSA-N 0 0 317.393 0.720 50 0 DCAARN COc1ccc(S(=O)(=O)N2CC[C@H](n3ccnn3)C2)cc1 ZINC000206935822 545936257 /nfs/dbraw/zinc/93/62/57/545936257.db2.gz ORYBFHWUWRZRPN-NSHDSACASA-N 0 0 308.363 0.922 50 0 DCAARN O=C1CSC(=O)N1C1CN(S(=O)(=O)c2cccs2)C1 ZINC000206955549 545936809 /nfs/dbraw/zinc/93/68/09/545936809.db2.gz IYSIFODSVNXJCU-UHFFFAOYSA-N 0 0 318.401 0.816 50 0 DCAARN COc1cc(CNC(=O)[C@@H]2C[NH2+]CCO2)cc(OC)c1OC ZINC000216016167 545938369 /nfs/dbraw/zinc/93/83/69/545938369.db2.gz KICMRSHMIASSTD-ZDUSSCGKSA-N 0 0 310.350 0.317 50 0 DCAARN COc1ccc(F)c(F)c1C(=O)NCCc1noc(CO)n1 ZINC000218845128 545940331 /nfs/dbraw/zinc/94/03/31/545940331.db2.gz XGEQLBQGGCVNLT-UHFFFAOYSA-N 0 0 313.260 0.821 50 0 DCAARN O=C(COCc1nc2cc(F)ccc2[nH]1)N[C@@H]1CCOC[C@H]1O ZINC000222611953 545941552 /nfs/dbraw/zinc/94/15/52/545941552.db2.gz ZFMMTFDADWAFOK-DGCLKSJQSA-N 0 0 323.324 0.485 50 0 DCAARN Cc1n[nH]c(C)c1CNC(=O)[C@@H]1CCc2nn(C)c(=O)cc2C1 ZINC000238815946 545960195 /nfs/dbraw/zinc/96/01/95/545960195.db2.gz BLYWTYLKTDUOCE-LLVKDONJSA-N 0 0 315.377 0.542 50 0 DCAARN CC[C@H]1CN(S(=O)(=O)c2cccc3nn(C)nc32)CCO1 ZINC000670435720 547088338 /nfs/dbraw/zinc/08/83/38/547088338.db2.gz ZHELXRXULOECQN-JTQLQIEISA-N 0 0 310.379 0.768 50 0 DCAARN COc1ccc(C(=O)NC2CCS(=O)(=O)CC2)c(OC)n1 ZINC000670444432 547093684 /nfs/dbraw/zinc/09/36/84/547093684.db2.gz NSSCHPAMFMBGJQ-UHFFFAOYSA-N 0 0 314.363 0.406 50 0 DCAARN CN1CCN(S(=O)(=O)c2ccccc2F)C[C@H]1CCO ZINC000670448449 547095233 /nfs/dbraw/zinc/09/52/33/547095233.db2.gz SYYVKLZFMPMUAP-LLVKDONJSA-N 0 0 302.371 0.513 50 0 DCAARN O=C(CCCn1cnnn1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000670455065 547097853 /nfs/dbraw/zinc/09/78/53/547097853.db2.gz LVTOIGHTFITJSL-GFCCVEGCSA-N 0 0 316.369 0.029 50 0 DCAARN CCNC(=O)c1ccc(N2CCC3(CNC(=O)O3)CC2)nc1 ZINC000670461890 547098464 /nfs/dbraw/zinc/09/84/64/547098464.db2.gz FIDOBPGYIUYVHC-UHFFFAOYSA-N 0 0 304.350 0.910 50 0 DCAARN CCc1nnc(CN(C)S(=O)(=O)N2CCC(OC)CC2)o1 ZINC000670473424 547101179 /nfs/dbraw/zinc/10/11/79/547101179.db2.gz MDBRUWSZVAAYGQ-UHFFFAOYSA-N 0 0 318.399 0.419 50 0 DCAARN CNC(=O)[C@H]1CC(=O)N(C2CN(Cc3cc(C4CC4)no3)C2)C1 ZINC000685940683 548746624 /nfs/dbraw/zinc/74/66/24/548746624.db2.gz FLBADWMHFXLAAE-NSHDSACASA-N 0 0 318.377 0.331 50 0 DCAARN COc1ccccc1OC1CN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000095375339 657972269 /nfs/dbraw/zinc/97/22/69/657972269.db2.gz OBOOEEBHCNTQBQ-UHFFFAOYSA-N 0 0 301.302 0.682 50 0 DCAARN C[C@@H](NS(=O)(=O)CCOc1ccccc1)c1ncnn1C ZINC000289922818 658519262 /nfs/dbraw/zinc/51/92/62/658519262.db2.gz QUIKABGEWBVJQD-LLVKDONJSA-N 0 0 310.379 0.875 50 0 DCAARN CCCS(=O)(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(N)=O ZINC000257178853 659043235 /nfs/dbraw/zinc/04/32/35/659043235.db2.gz CDMSECYPNGLIOV-RYUDHWBXSA-N 0 0 313.379 0.128 50 0 DCAARN Cn1ccnc1CN(CCO)c1cc([C@@H]2CCOC2)ncn1 ZINC000299775142 662681211 /nfs/dbraw/zinc/68/12/11/662681211.db2.gz HUNKLZUORVIGEG-GFCCVEGCSA-N 0 0 303.366 0.713 50 0 DCAARN Cc1nc(C)c(CC(=O)OCc2cccc(C(N)=O)c2)c(=O)[nH]1 ZINC000046413528 664510441 /nfs/dbraw/zinc/51/04/41/664510441.db2.gz AIDUKFRKERAHFS-UHFFFAOYSA-N 0 0 315.329 0.772 50 0 DCAARN Cn1c(CN2CCC[C@@H](OCCO)C2)nc2ccccc2c1=O ZINC000172295893 664619339 /nfs/dbraw/zinc/61/93/39/664619339.db2.gz SYPOOVYLTBLCRW-CYBMUJFWSA-N 0 0 317.389 0.907 50 0 DCAARN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CCOCCN2)C1 ZINC000874435098 668186913 /nfs/dbraw/zinc/18/69/13/668186913.db2.gz LKPJNPMZBUPHCY-NSHDSACASA-N 0 0 314.386 0.542 50 0 DCAARN COC(OC)C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000820046185 671158815 /nfs/dbraw/zinc/15/88/15/671158815.db2.gz PHGSCKUWVBKFPK-UHFFFAOYSA-N 0 0 313.785 0.998 50 0 DCAARN CCc1nsc(N2CCN(C(=O)C(OC)OC)CC2)n1 ZINC000820402173 671198917 /nfs/dbraw/zinc/19/89/17/671198917.db2.gz IXJBVYWRKNORPZ-UHFFFAOYSA-N 0 0 300.384 0.368 50 0 DCAARN CS(=O)(=O)CCC(=O)NCCc1noc(C2CCCC2)n1 ZINC000952978173 685600766 /nfs/dbraw/zinc/60/07/66/685600766.db2.gz KIUFMGRFUKNECX-UHFFFAOYSA-N 0 0 315.395 0.821 50 0 DCAARN Nc1ncc(C=CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000952978816 685601063 /nfs/dbraw/zinc/60/10/63/685601063.db2.gz SRMCJQNLOQYBSX-SNAWJCMRSA-N 0 0 322.332 0.569 50 0 DCAARN CCNC(=O)[C@@H]1CCN(C(=O)/C=C/c2cnc(N(C)C)nc2)C1 ZINC000952983335 685601692 /nfs/dbraw/zinc/60/16/92/685601692.db2.gz KIEIIEAWSINNHM-URWSZGRFSA-N 0 0 317.393 0.540 50 0 DCAARN CN(CCc1noc(C2CC2)n1)C(=O)[C@@H]1NCCc2nc[nH]c21 ZINC000072448493 685074975 /nfs/dbraw/zinc/07/49/75/685074975.db2.gz ZFNVDVWAOWERJA-CYBMUJFWSA-N 0 0 316.365 0.558 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CCc3nnc(C4CC4)n3CC2)c1 ZINC000169785662 685141199 /nfs/dbraw/zinc/14/11/99/685141199.db2.gz YQONOVKEKSKZGM-UHFFFAOYSA-N 0 0 322.394 0.136 50 0 DCAARN CS(=O)(=O)c1ccc(CN2CCC([C@H](O)CO)CC2)cc1 ZINC001772700337 1157840804 /nfs/dbraw/zinc/84/08/04/1157840804.db2.gz BWNBFHRLWRFAHU-OAHLLOKOSA-N 0 0 313.419 0.655 50 0 DCAARN CC(C)Cn1cncc1CNC(=O)c1cnc(C(N)=O)cn1 ZINC001772704046 1157842470 /nfs/dbraw/zinc/84/24/70/1157842470.db2.gz BLCRCBLHJRSUMP-UHFFFAOYSA-N 0 0 302.338 0.358 50 0 DCAARN COc1ccc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)cn1 ZINC001704277930 1179959083 /nfs/dbraw/zinc/95/90/83/1179959083.db2.gz ZZKRNXAJVIKCKI-TZMCWYRMSA-N 0 0 314.345 0.556 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3ncccc3O)C[C@H]2O)[nH]n1 ZINC001704300661 1179966145 /nfs/dbraw/zinc/96/61/45/1179966145.db2.gz TYWOYQPGQJVQCC-ZWNOBZJWSA-N 0 0 302.334 0.494 50 0 DCAARN CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1ccc3c(c1)OCCO3)C2 ZINC001704312701 1179969202 /nfs/dbraw/zinc/96/92/02/1179969202.db2.gz IZUMEDQIOGEQHF-KGLIPLIRSA-N 0 0 318.373 0.747 50 0 DCAARN Cc1cccc(CN2C[C@H]3COC[C@@H]2C[N@H+](CC(=O)[O-])C3)n1 ZINC001704315803 1179970914 /nfs/dbraw/zinc/97/09/14/1179970914.db2.gz DNMBJAKCPYXBHT-ZFWWWQNUSA-N 0 0 305.378 0.607 50 0 DCAARN CN1C[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)OCCO3)C2 ZINC001704315748 1179971546 /nfs/dbraw/zinc/97/15/46/1179971546.db2.gz CPRDSKISLVJBMA-OCCSQVGLSA-N 0 0 318.373 0.860 50 0 DCAARN COc1cc(O)cc(C(=O)N2C[C@@H]3COC[C@H](C2)N(C)C3)c1 ZINC001704333684 1179976472 /nfs/dbraw/zinc/97/64/72/1179976472.db2.gz DCWKJERBCLJYDW-YPMHNXCESA-N 0 0 306.362 0.803 50 0 DCAARN CCOC(C)(C)C(=O)N1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O ZINC001704335578 1179977654 /nfs/dbraw/zinc/97/76/54/1179977654.db2.gz OWEIKBVZFWPSGD-SWLSCSKDSA-N 0 0 315.410 0.695 50 0 DCAARN NC(=O)c1csc(N2C[C@@H](Cc3cnccn3)[C@H](O)C2)n1 ZINC001704342575 1179979399 /nfs/dbraw/zinc/97/93/99/1179979399.db2.gz OLINBRFJZSTSIU-LDYMZIIASA-N 0 0 305.363 0.072 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cccc(=O)[nH]3)C[C@H]2O)on1 ZINC001704343531 1179979876 /nfs/dbraw/zinc/97/98/76/1179979876.db2.gz JRBDXGIZWZBLMS-ZWNOBZJWSA-N 0 0 303.318 0.759 50 0 DCAARN CSCc1noc(CNC(=O)CN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001704353269 1179983545 /nfs/dbraw/zinc/98/35/45/1179983545.db2.gz LUZZIOKFCQJRLU-AOOOYVTPSA-N 0 0 314.411 0.658 50 0 DCAARN COCc1cn([C@H]2CCN(C(=O)Cn3cc(C)cn3)C2)nn1 ZINC000675018553 748027021 /nfs/dbraw/zinc/02/70/21/748027021.db2.gz UQRXUSYYNDLFSG-ZDUSSCGKSA-N 0 0 304.354 0.403 50 0 DCAARN CC(C)N(C)S(=O)(=O)NCC1CCN(C(=O)C2CC2)CC1 ZINC000821724549 758177910 /nfs/dbraw/zinc/17/79/10/758177910.db2.gz PPQYADHXEGAAED-UHFFFAOYSA-N 0 0 317.455 0.810 50 0 DCAARN C[C@@H](Cc1ccsc1)NC(=O)c1cc(=O)n(C)c(=O)n1C ZINC000821810271 758180972 /nfs/dbraw/zinc/18/09/72/758180972.db2.gz YBSBRXKQNUTRTK-VIFPVBQESA-N 0 0 307.375 0.507 50 0 DCAARN CCOCC(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000823316678 758234833 /nfs/dbraw/zinc/23/48/33/758234833.db2.gz NSNABSBYPJLWHP-UHFFFAOYSA-N 0 0 322.361 0.899 50 0 DCAARN CCc1nc(S(=O)(=O)N2CCC(c3nnc[nH]3)CC2)c[nH]1 ZINC000823484560 758249742 /nfs/dbraw/zinc/24/97/42/758249742.db2.gz XYSWKGMRIOWLOB-UHFFFAOYSA-N 0 0 310.383 0.659 50 0 DCAARN CC(C)C1=NO[C@H](C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000827791966 758882121 /nfs/dbraw/zinc/88/21/21/758882121.db2.gz MTZDIMACCIIXIO-ZDUSSCGKSA-N 0 0 304.350 0.729 50 0 DCAARN O=C(CCCN1CCCC1=O)N1CCN(c2cnccn2)CC1 ZINC000827957198 758900316 /nfs/dbraw/zinc/90/03/16/758900316.db2.gz XVFJHJCJGZONGI-UHFFFAOYSA-N 0 0 317.393 0.528 50 0 DCAARN CC(=O)NCCCC(=O)Nc1ccc(Oc2nn[nH]n2)cc1 ZINC000828054160 758919352 /nfs/dbraw/zinc/91/93/52/758919352.db2.gz HYQCRIPNSAYHRR-UHFFFAOYSA-N 0 0 304.310 0.847 50 0 DCAARN Cc1cnc(C(=O)N2CC[C@H](CC(=O)N3CCOCC3)C2)cn1 ZINC000581783088 760249508 /nfs/dbraw/zinc/24/95/08/760249508.db2.gz KGZSLKTXPZLNON-CYBMUJFWSA-N 0 0 318.377 0.496 50 0 DCAARN COCCN1C(=O)c2cccn2C[C@H]1CNC(=O)c1ccco1 ZINC000581792741 760252239 /nfs/dbraw/zinc/25/22/39/760252239.db2.gz PVCRRUQBWZCOLS-GFCCVEGCSA-N 0 0 317.345 0.982 50 0 DCAARN CCOC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(N)=O)cc1 ZINC000585079801 766267989 /nfs/dbraw/zinc/26/79/89/766267989.db2.gz VDTBBVAJEXZGKH-NSHDSACASA-N 0 0 308.359 0.864 50 0 DCAARN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(=O)n(C)n1 ZINC000585125490 766288553 /nfs/dbraw/zinc/28/85/53/766288553.db2.gz VCSJYVCEJJCMKR-UHFFFAOYSA-N 0 0 315.255 0.943 50 0 DCAARN COCC(=O)N[C@H](C(C)C)[C@H](NC(=O)COC)C(F)(F)F ZINC000585127647 766289832 /nfs/dbraw/zinc/28/98/32/766289832.db2.gz GIVBXMGUQOSORL-MNOVXSKESA-N 0 0 314.304 0.467 50 0 DCAARN COC[C@H]1CCCN(S(=O)(=O)NCC2CCOCC2)C1 ZINC001506423912 941815489 /nfs/dbraw/zinc/81/54/89/941815489.db2.gz AAFGSADUQPSRIS-ZDUSSCGKSA-N 0 0 306.428 0.606 50 0 DCAARN COCCn1cnnc1CN(C)c1nnnn1-c1ccccc1 ZINC001529119764 1014499761 /nfs/dbraw/zinc/49/97/61/1014499761.db2.gz LJVPLKTVXJXUKI-UHFFFAOYSA-N 0 0 314.353 0.537 50 0 DCAARN CC1(C)CN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CCO1 ZINC001529153467 1014508861 /nfs/dbraw/zinc/50/88/61/1014508861.db2.gz CAORTBDBEJZHNV-CABCVRRESA-N 0 0 318.373 0.880 50 0 DCAARN Cc1cccc(CN2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)n1 ZINC001529168155 1014510955 /nfs/dbraw/zinc/51/09/55/1014510955.db2.gz XAYMKTLBLBXZPW-JSGCOSHPSA-N 0 0 313.423 0.074 50 0 DCAARN O=C(CN1CCCCC1=O)N[C@H]1COC[C@H]1Cc1ccncc1 ZINC001529182554 1014515639 /nfs/dbraw/zinc/51/56/39/1014515639.db2.gz ULVFZJOELHURAK-CABCVRRESA-N 0 0 317.389 0.768 50 0 DCAARN Cc1c(NC(=O)CN2CCC(c3nnc[nH]3)CC2)cnn1C ZINC001529181318 1014515941 /nfs/dbraw/zinc/51/59/41/1014515941.db2.gz RHEDUOAOCQFMRA-UHFFFAOYSA-N 0 0 303.370 0.665 50 0 DCAARN CN(Cc1nc2cc(F)ccc2[nH]1)Cc1nc(C(N)=O)no1 ZINC001529196693 1014519801 /nfs/dbraw/zinc/51/98/01/1014519801.db2.gz DUUAQSVJRCLSPQ-UHFFFAOYSA-N 0 0 304.285 0.816 50 0 DCAARN CN(C)C(=O)NCC(=O)N(C)C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001506401855 1017256737 /nfs/dbraw/zinc/25/67/37/1017256737.db2.gz KAUWVEMLUZCMOL-NSHDSACASA-N 0 0 312.414 0.363 50 0 DCAARN O=C(Nc1cnn2c1NCCC2)[C@H]1Cc2ccccc2C(=O)N1 ZINC001506413814 1017263586 /nfs/dbraw/zinc/26/35/86/1017263586.db2.gz WACODWRLYPFMPE-GFCCVEGCSA-N 0 0 311.345 0.992 50 0 DCAARN COC[C@H]1CCCN(S(=O)(=O)NCc2c(C)noc2C)C1 ZINC001506423944 1017267262 /nfs/dbraw/zinc/26/72/62/1017267262.db2.gz YRZOPLPFINNAKU-LBPRGKRZSA-N 0 0 317.411 0.984 50 0 DCAARN COc1ccc(N2CCC[C@H](C(=O)Nc3nc[nH]n3)C2)nn1 ZINC000095479948 185373463 /nfs/dbraw/zinc/37/34/63/185373463.db2.gz WHWBMBQLCBMBPK-VIFPVBQESA-N 0 0 303.326 0.458 50 0 DCAARN Cn1cccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1=O ZINC000074706053 185010892 /nfs/dbraw/zinc/01/08/92/185010892.db2.gz FBYREMPCXDIISF-UHFFFAOYSA-N 0 0 315.329 0.577 50 0 DCAARN COC(=O)C(C(=O)OC)c1ncc(Br)cc1N ZINC000095494844 185373762 /nfs/dbraw/zinc/37/37/62/185373762.db2.gz LVFQQMATWBJGSI-UHFFFAOYSA-N 0 0 303.112 0.856 50 0 DCAARN CCCN1C(=O)N[C@H](Cc2nc(-c3ccc(C)nn3)no2)C1=O ZINC000095508905 185375857 /nfs/dbraw/zinc/37/58/57/185375857.db2.gz DLAOTOJMEWPZOI-SNVBAGLBSA-N 0 0 316.321 0.708 50 0 DCAARN CCC[C@@H]1CN(c2ncc(F)cn2)C[C@H]1NS(C)(=O)=O ZINC000095518317 185376710 /nfs/dbraw/zinc/37/67/10/185376710.db2.gz RLFIGBQVFYGZAZ-MWLCHTKSSA-N 0 0 302.375 0.770 50 0 DCAARN COCCN1CCN(C(=O)Nc2cc(C(N)=O)ccc2C)CC1 ZINC000095521337 185377389 /nfs/dbraw/zinc/37/73/89/185377389.db2.gz RRXJKLLLJGTXQE-UHFFFAOYSA-N 0 0 320.393 0.890 50 0 DCAARN NS(=O)(=O)c1cnc(N[C@H](CO)Cc2ccccc2)s1 ZINC000078850424 185120422 /nfs/dbraw/zinc/12/04/22/185120422.db2.gz OYFKPCZEDCYFCD-JTQLQIEISA-N 0 0 313.404 0.806 50 0 DCAARN NC(=O)c1cc([C@@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)n[nH]1 ZINC000078901585 185126337 /nfs/dbraw/zinc/12/63/37/185126337.db2.gz LLCISYMEXAOGHX-MNOVXSKESA-N 0 0 306.366 0.784 50 0 DCAARN CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2COc3ccccc3O2)C1=O ZINC000298210791 529540245 /nfs/dbraw/zinc/54/02/45/529540245.db2.gz KXJVUKFNSMIJFM-XHDPSFHLSA-N 0 0 319.317 0.578 50 0 DCAARN CCCN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1CNC(=O)N1 ZINC000089958874 185271723 /nfs/dbraw/zinc/27/17/23/185271723.db2.gz LKSLKQLFIFPFAS-RYUDHWBXSA-N 0 0 319.361 0.746 50 0 DCAARN Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)CCOC(C)C)C2 ZINC000090168440 185284779 /nfs/dbraw/zinc/28/47/79/185284779.db2.gz BPIPNVIEVRQNFC-GFCCVEGCSA-N 0 0 301.412 0.851 50 0 DCAARN CSc1nc2n(n1)[C@H](c1cc(C)nn1C)C(C(N)=O)=C(C)N2 ZINC000020606609 295690101 /nfs/dbraw/zinc/69/01/01/295690101.db2.gz DACTZAXGBHLWOR-SNVBAGLBSA-N 0 0 319.394 0.816 50 0 DCAARN CC(C)[C@@H]1CN(c2ncnc3[nH]ccc32)C[C@H]1NS(C)(=O)=O ZINC000082114864 192358420 /nfs/dbraw/zinc/35/84/20/192358420.db2.gz CXAQJORZCJQOMB-NWDGAFQWSA-N 0 0 323.422 0.968 50 0 DCAARN CN(Cc1ccccc1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000005012178 190620432 /nfs/dbraw/zinc/62/04/32/190620432.db2.gz JBNWQZWBRCKWBY-GFCCVEGCSA-N 0 0 303.405 0.635 50 0 DCAARN Cc1ccc(C(=O)OCC(=O)N2CCC[C@H](C(N)=O)C2)cc1 ZINC000007895789 190629819 /nfs/dbraw/zinc/62/98/19/190629819.db2.gz JSIUGCDRMBKGJE-ZDUSSCGKSA-N 0 0 304.346 0.876 50 0 DCAARN COc1cccc(OC2CN(C(=O)[C@H]3CCCN3C(N)=O)C2)c1 ZINC000095392328 185351716 /nfs/dbraw/zinc/35/17/16/185351716.db2.gz RRTUMAJRXKXISI-CQSZACIVSA-N 0 0 319.361 0.828 50 0 DCAARN CN([C@@H]1CCCN(c2ncc(Cl)cn2)C1)S(C)(=O)=O ZINC000095406822 185355934 /nfs/dbraw/zinc/35/59/34/185355934.db2.gz RGJHYCMWTHCSTO-SNVBAGLBSA-N 0 0 304.803 0.990 50 0 DCAARN C[C@H](C(=O)NC1CCCCC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000095407441 185356339 /nfs/dbraw/zinc/35/63/39/185356339.db2.gz QQUCQCWQLFPQTP-PWSUYJOCSA-N 0 0 308.382 0.060 50 0 DCAARN Cn1cc(S(=O)(=O)N[C@H](CCO)c2cccs2)cn1 ZINC000095433170 185363829 /nfs/dbraw/zinc/36/38/29/185363829.db2.gz RRNFQYSHPHEDII-SNVBAGLBSA-N 0 0 301.393 0.884 50 0 DCAARN COC(=O)N(C)CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000095435075 185364755 /nfs/dbraw/zinc/36/47/55/185364755.db2.gz IPHLLDSICAIIQR-WCQYABFASA-N 0 0 323.393 0.687 50 0 DCAARN CN1CCO[C@H](C(=O)N2CCN(c3ccncc3Cl)CC2)C1 ZINC000095437770 185365413 /nfs/dbraw/zinc/36/54/13/185365413.db2.gz NYHYNQXHFWVUSN-AWEZNQCLSA-N 0 0 324.812 0.714 50 0 DCAARN COC(=O)c1ccccc1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000095456762 185370031 /nfs/dbraw/zinc/37/00/31/185370031.db2.gz QTHVPMNRRLDALC-LBPRGKRZSA-N 0 0 304.346 0.740 50 0 DCAARN Cn1ccnc(NC(=O)N[C@@H](CO)Cc2ccccc2)c1=O ZINC000095466903 185372111 /nfs/dbraw/zinc/37/21/11/185372111.db2.gz LWGVKFFBVZTBBO-GFCCVEGCSA-N 0 0 302.334 0.505 50 0 DCAARN Cn1ccnc1C(=O)NC[C@@H](O)C(=O)OCc1ccccc1 ZINC000095462232 185370969 /nfs/dbraw/zinc/37/09/69/185370969.db2.gz VRDFMLGXMPHZHH-GFCCVEGCSA-N 0 0 303.318 0.254 50 0 DCAARN COCCOCCCNS(=O)(=O)c1cn2c(n1)CCCC2 ZINC000095468357 185372358 /nfs/dbraw/zinc/37/23/58/185372358.db2.gz VUOYLJXACHEUGE-UHFFFAOYSA-N 0 0 317.411 0.551 50 0 DCAARN CN(CC(N)=O)C[C@H]1CN(C(=O)C(C)(C)C(F)F)CCO1 ZINC000330971892 529824896 /nfs/dbraw/zinc/82/48/96/529824896.db2.gz BOSJQRUMZBFQSX-VIFPVBQESA-N 0 0 307.341 0.972 50 0 DCAARN CN(C)c1ncnc2c1CCN(C(=O)COC[C@H]1CCCO1)C2 ZINC000299754898 529816576 /nfs/dbraw/zinc/81/65/76/529816576.db2.gz BSWIRRGLFRIXFV-GFCCVEGCSA-N 0 0 320.393 0.623 50 0 DCAARN CS(=O)(=O)N1CCN(c2noc(-c3ccccc3)n2)CC1 ZINC000097096533 185409111 /nfs/dbraw/zinc/40/91/11/185409111.db2.gz SZYNKECUVCXUAT-UHFFFAOYSA-N 0 0 308.363 0.818 50 0 DCAARN C[C@H](O)Cn1c2c(nc1N1CCC[C@H](C)C1)n(C)c(=O)[nH]c2=O ZINC000102916080 185426086 /nfs/dbraw/zinc/42/60/86/185426086.db2.gz HCCSGHREVNYPGU-UWVGGRQHSA-N 0 0 321.381 0.040 50 0 DCAARN O=C(NCCn1cnc2sccc2c1=O)c1cc[nH]c(=O)c1 ZINC000225810473 201749750 /nfs/dbraw/zinc/74/97/50/201749750.db2.gz ZVMPPMKPUOVOAJ-UHFFFAOYSA-N 0 0 316.342 0.576 50 0 DCAARN CC1=C(C(=O)NCCC(=O)Nc2nccs2)[C@H](C)NC(=O)N1 ZINC000067490650 190709816 /nfs/dbraw/zinc/70/98/16/190709816.db2.gz JPSYKHOIEPQHEX-ZETCQYMHSA-N 0 0 323.378 0.563 50 0 DCAARN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N1CCC[C@@H](O)C1 ZINC000170610195 197789725 /nfs/dbraw/zinc/78/97/25/197789725.db2.gz FOBPEBCXHNJQLS-LLVKDONJSA-N 0 0 322.361 0.838 50 0 DCAARN CC(C)Oc1cc(N2Cc3cnn(CCO)c3C2)nc(N)n1 ZINC000067872668 190730795 /nfs/dbraw/zinc/73/07/95/190730795.db2.gz NGVAZZWVOYIRFF-UHFFFAOYSA-N 0 0 304.354 0.555 50 0 DCAARN O=C(Cn1ccc(-c2ccccc2)n1)N[C@@H]1CCS(=O)(=O)C1 ZINC000069704893 190806500 /nfs/dbraw/zinc/80/65/00/190806500.db2.gz BGBJHIVLSNNAKJ-CYBMUJFWSA-N 0 0 319.386 0.853 50 0 DCAARN Cc1cc(S(=O)(=O)NCC2(O)CCOCC2)ccc1F ZINC000070638939 190909037 /nfs/dbraw/zinc/90/90/37/190909037.db2.gz RPMJYJLSTSLEAN-UHFFFAOYSA-N 0 0 303.355 0.954 50 0 DCAARN COC[C@@H](NC(=O)C(=O)N1CCCCCC1)c1ccnn1C ZINC000071614515 190993953 /nfs/dbraw/zinc/99/39/53/190993953.db2.gz PYMLNNPHYSUDCO-GFCCVEGCSA-N 0 0 308.382 0.626 50 0 DCAARN CNS(=O)(=O)c1ccc(CN(C)[C@H](C)C(=O)N(C)C)cc1 ZINC000071760826 191026181 /nfs/dbraw/zinc/02/61/81/191026181.db2.gz VMHZGIWTKYPVAE-LLVKDONJSA-N 0 0 313.423 0.503 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(Cl)cn1 ZINC000071752474 191023673 /nfs/dbraw/zinc/02/36/73/191023673.db2.gz YIOGQNVZONUZTL-SNVBAGLBSA-N 0 0 311.725 0.239 50 0 DCAARN O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CNCC(=O)N1 ZINC000071765246 191027515 /nfs/dbraw/zinc/02/75/15/191027515.db2.gz RBWLRKOSPCTGBL-CYBMUJFWSA-N 0 0 312.329 0.900 50 0 DCAARN Cc1noc(C)c1CCC(=O)N1CCCN(CC(N)=O)CC1 ZINC000071829353 191030767 /nfs/dbraw/zinc/03/07/67/191030767.db2.gz ATCHJODLFSCLBH-UHFFFAOYSA-N 0 0 308.382 0.244 50 0 DCAARN CCC(CC)NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 ZINC000072116108 191037939 /nfs/dbraw/zinc/03/79/39/191037939.db2.gz GSHAKXLCJYHYFC-UHFFFAOYSA-N 0 0 305.444 0.810 50 0 DCAARN COCCNc1cc(-c2c[nH]c(=O)[nH]c2=O)c2cc[nH]c2n1 ZINC000072124163 191042283 /nfs/dbraw/zinc/04/22/83/191042283.db2.gz CNKONFPHKOKACK-UHFFFAOYSA-N 0 0 301.306 0.665 50 0 DCAARN O=C(c1cnc(-c2cccnc2)nc1)N1CC[C@H](CO)[C@H](O)C1 ZINC000072133021 191044437 /nfs/dbraw/zinc/04/44/37/191044437.db2.gz MAIJAHSFIVACNG-TZMCWYRMSA-N 0 0 314.345 0.354 50 0 DCAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)NC1CC1 ZINC000072133549 191045025 /nfs/dbraw/zinc/04/50/25/191045025.db2.gz NUIFYDYRWOLGLO-CQSZACIVSA-N 0 0 323.343 0.934 50 0 DCAARN NC(=O)CN1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000072137025 191046683 /nfs/dbraw/zinc/04/66/83/191046683.db2.gz MYWLSUVAKRFGCS-AWEZNQCLSA-N 0 0 320.412 0.897 50 0 DCAARN Cc1cc(C)n2nc(C(=O)N3CCC[C@@](O)(CO)C3)cc2n1 ZINC000072146368 191052267 /nfs/dbraw/zinc/05/22/67/191052267.db2.gz RXYYGNZFSJWZRI-HNNXBMFYSA-N 0 0 304.350 0.306 50 0 DCAARN OC1CCN(c2ccnc(N3CCn4cncc4C3)n2)CC1 ZINC000072146650 191053351 /nfs/dbraw/zinc/05/33/51/191053351.db2.gz LSMAXPRXFUDKCD-UHFFFAOYSA-N 0 0 300.366 0.654 50 0 DCAARN Cn1cc(NC(=O)CN2CCC[C@]3(CN(C)C(=O)O3)C2)cn1 ZINC000072151201 191055461 /nfs/dbraw/zinc/05/54/61/191055461.db2.gz LJNGDVPTWPRCDW-AWEZNQCLSA-N 0 0 307.354 0.275 50 0 DCAARN Cc1nc(C)n(CCNC(=O)c2cn(-c3ccccc3)nn2)n1 ZINC000072166691 191066535 /nfs/dbraw/zinc/06/65/35/191066535.db2.gz SHOHJJHILFVBQU-UHFFFAOYSA-N 0 0 311.349 0.906 50 0 DCAARN Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCO)cc1 ZINC000072170220 191067993 /nfs/dbraw/zinc/06/79/93/191067993.db2.gz JZHYEDIIWOHBRD-HNNXBMFYSA-N 0 0 319.405 0.136 50 0 DCAARN Cn1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)cn1 ZINC000072237886 191082308 /nfs/dbraw/zinc/08/23/08/191082308.db2.gz DGEOBBAPAIIMBR-HUUCEWRRSA-N 0 0 314.345 0.957 50 0 DCAARN CCn1ccc(C(=O)Nc2c(C)n(C)nc2C(=O)N(C)C)n1 ZINC000072250373 191087153 /nfs/dbraw/zinc/08/71/53/191087153.db2.gz KJRDNIPDFMTYOU-UHFFFAOYSA-N 0 0 304.354 0.899 50 0 DCAARN CN(C)c1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)nn1 ZINC000072253241 191087928 /nfs/dbraw/zinc/08/79/28/191087928.db2.gz CRDKFHXMCGHSRN-LLVKDONJSA-N 0 0 301.354 0.611 50 0 DCAARN Cc1ccccc1C(=O)N1CCN(CCS(C)(=O)=O)CC1 ZINC000072256474 191088044 /nfs/dbraw/zinc/08/80/44/191088044.db2.gz ZHCOKKPRWNCZTQ-UHFFFAOYSA-N 0 0 310.419 0.797 50 0 DCAARN Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc(S(C)(=O)=O)o1)C2 ZINC000072281603 191100867 /nfs/dbraw/zinc/10/08/67/191100867.db2.gz UINYCSWRTZIMPZ-JTQLQIEISA-N 0 0 323.374 0.933 50 0 DCAARN Cc1ccccc1CNC(=O)CN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000072294000 191110133 /nfs/dbraw/zinc/11/01/33/191110133.db2.gz PBLBXQKQFMNNKD-CQSZACIVSA-N 0 0 324.446 0.978 50 0 DCAARN Cn1nc2c(cc1=O)CN(Cc1nc(N)c3ccccc3n1)CC2 ZINC000072302439 191115592 /nfs/dbraw/zinc/11/55/92/191115592.db2.gz CSLOQOLSQCKLPO-UHFFFAOYSA-N 0 0 322.372 0.864 50 0 DCAARN CN1CCN(NC(=O)c2cccnc2O[C@H]2CCOC2)CC1 ZINC000253408278 186308080 /nfs/dbraw/zinc/30/80/80/186308080.db2.gz XKELQPUZBCHGLE-LBPRGKRZSA-N 0 0 306.366 0.142 50 0 DCAARN NC(=O)c1cncc(N2CCCN(CC(F)(F)F)CC2)n1 ZINC000072307816 191118634 /nfs/dbraw/zinc/11/86/34/191118634.db2.gz ZGQMFHCJGTZCGI-UHFFFAOYSA-N 0 0 303.288 0.650 50 0 DCAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1NCCc2nc[nH]c21 ZINC000072424099 191159612 /nfs/dbraw/zinc/15/96/12/191159612.db2.gz CXLYEILGRDCFSM-AWEZNQCLSA-N 0 0 300.318 0.642 50 0 DCAARN CC(=O)NC(=O)c1nnn(Cc2ccccc2)c1NC(C)=O ZINC000000111731 180696687 /nfs/dbraw/zinc/69/66/87/180696687.db2.gz LOEJVFKTIRGMJK-UHFFFAOYSA-N 0 0 301.306 0.561 50 0 DCAARN CN(C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCCC[C@@H]1O ZINC000072437810 191165869 /nfs/dbraw/zinc/16/58/69/191165869.db2.gz LIHHDSJUWNYDCN-UPJWGTAASA-N 0 0 318.439 0.420 50 0 DCAARN COc1ccc(CN2CCN(CC(N)=O)C[C@@H]2CCO)cc1C ZINC000072434753 191166167 /nfs/dbraw/zinc/16/61/67/191166167.db2.gz XZSPNRDOJZSBLC-HNNXBMFYSA-N 0 0 321.421 0.358 50 0 DCAARN CC(C)Cc1noc(CN(C)C(=O)[C@@H]2NCCc3nc[nH]c32)n1 ZINC000072477212 191179575 /nfs/dbraw/zinc/17/95/75/191179575.db2.gz ONOKHSHUMJJDTQ-CQSZACIVSA-N 0 0 318.381 0.837 50 0 DCAARN CCS(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1 ZINC000000262529 180741133 /nfs/dbraw/zinc/74/11/33/180741133.db2.gz MJBDWFQYNQFPBQ-UHFFFAOYSA-N 0 0 311.407 0.760 50 0 DCAARN C[C@@H](C(=O)N1CCN(Cc2nccn2C)CC1)n1cccn1 ZINC000331845538 234190470 /nfs/dbraw/zinc/19/04/70/234190470.db2.gz NBENFLMCULBBAT-ZDUSSCGKSA-N 0 0 302.382 0.522 50 0 DCAARN COc1ccc(C(=O)Cn2cnc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000001440114 180866808 /nfs/dbraw/zinc/86/68/08/180866808.db2.gz WEVHXHQEGGNCCM-UHFFFAOYSA-N 0 0 314.301 0.315 50 0 DCAARN Cn1c(Oc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C ZINC000001423864 180864583 /nfs/dbraw/zinc/86/45/83/180864583.db2.gz IXYMGZCFOFDRJD-UHFFFAOYSA-N 0 0 304.281 0.902 50 0 DCAARN CCc1nnc(SCCSc2nnc(CC)n2N)n1N ZINC000001779078 180895840 /nfs/dbraw/zinc/89/58/40/180895840.db2.gz HHQQXDJVPIPNCL-UHFFFAOYSA-N 0 0 314.444 0.306 50 0 DCAARN Nc1n[nH]c(SCC(=O)NC(=O)NCc2ccccc2)n1 ZINC000002660600 180945503 /nfs/dbraw/zinc/94/55/03/180945503.db2.gz SVRYNNDYXBNWBH-UHFFFAOYSA-N 0 0 306.351 0.505 50 0 DCAARN Cc1nn(C)cc1C(=O)N1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000073117965 191279993 /nfs/dbraw/zinc/27/99/93/191279993.db2.gz AZPOWPRKGMJGHF-SNVBAGLBSA-N 0 0 307.423 0.978 50 0 DCAARN COC(=O)CNC(=O)[C@@H](C)n1ncc(Br)c1C ZINC000002802318 180959375 /nfs/dbraw/zinc/95/93/75/180959375.db2.gz JGIIDYGFIWHNEC-SSDOTTSWSA-N 0 0 304.144 0.804 50 0 DCAARN CCOC(CNC(=O)NC(=O)c1ccc(OC)nc1)OCC ZINC000003181108 180988936 /nfs/dbraw/zinc/98/89/36/180988936.db2.gz JQFKTHAGSMLHQP-UHFFFAOYSA-N 0 0 311.338 0.929 50 0 DCAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O ZINC000003460152 181023200 /nfs/dbraw/zinc/02/32/00/181023200.db2.gz DYJAIDXXLDHNLI-MRXNPFEDSA-N 0 0 317.345 0.312 50 0 DCAARN CCOC(=O)CCNC(=O)CNC(=O)OCc1ccccc1 ZINC000003648049 181043378 /nfs/dbraw/zinc/04/33/78/181043378.db2.gz UMYQBCGGCPOJST-UHFFFAOYSA-N 0 0 308.334 0.982 50 0 DCAARN CCOC(=O)C1=NO[C@@H](CON2C(=O)c3ccccc3C2=O)C1 ZINC000003883194 181052322 /nfs/dbraw/zinc/05/23/22/181052322.db2.gz IDBOJVIICNRCEC-SECBINFHSA-N 0 0 318.285 0.922 50 0 DCAARN COCCNC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 ZINC000004045913 181066496 /nfs/dbraw/zinc/06/64/96/181066496.db2.gz IUYZOULOQGLPIH-SWLSCSKDSA-N 0 0 318.329 0.609 50 0 biogenic DCAARN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1nc[nH]n1 ZINC000004257942 181088649 /nfs/dbraw/zinc/08/86/49/181088649.db2.gz DCSJZHNFKVCFAC-UHFFFAOYSA-N 0 0 301.306 0.529 50 0 DCAARN CC(=O)Nc1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1 ZINC000004270316 181089960 /nfs/dbraw/zinc/08/99/60/181089960.db2.gz CXRJQPJPPGJYKE-UHFFFAOYSA-N 0 0 324.318 0.235 50 0 DCAARN Cc1cc(C)cc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000004270144 181090403 /nfs/dbraw/zinc/09/04/03/181090403.db2.gz WNEZIHBKSBAXKY-UHFFFAOYSA-N 0 0 323.374 0.502 50 0 DCAARN O=C1NCCCC[C@H]1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000004332863 181099283 /nfs/dbraw/zinc/09/92/83/181099283.db2.gz NCSLDSMRYPXUPB-GFCCVEGCSA-N 0 0 310.375 0.569 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccc(C)cc3)C(=O)[C@@]2(C)NN1 ZINC000004427121 181109290 /nfs/dbraw/zinc/10/92/90/181109290.db2.gz BRQFQQZGMSCVNR-BONVTDFDSA-N 0 0 301.302 0.375 50 0 DCAARN CCc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004505443 181117057 /nfs/dbraw/zinc/11/70/57/181117057.db2.gz RCQQAAQOLLUDNV-LLVKDONJSA-N 0 0 303.405 0.714 50 0 DCAARN Cc1ccc(-n2nnnc2SCC(=O)NC(N)=O)c(C)c1 ZINC000004768161 181149794 /nfs/dbraw/zinc/14/97/94/181149794.db2.gz WIANELHGYVIUFZ-UHFFFAOYSA-N 0 0 306.351 0.566 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)N[C@H](c1ccccc1C)C1CC1 ZINC000075137487 191429457 /nfs/dbraw/zinc/42/94/57/191429457.db2.gz LYEQJZBOMWOKNC-KRWDZBQOSA-N 0 0 317.389 0.815 50 0 DCAARN Cn1c2ncn(CCOc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000005263218 181223385 /nfs/dbraw/zinc/22/33/85/181223385.db2.gz DKMHIIJWMGGBBH-UHFFFAOYSA-N 0 0 318.308 0.652 50 0 DCAARN O=C(NC[C@H]1CCCO1)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000005353031 181233934 /nfs/dbraw/zinc/23/39/34/181233934.db2.gz XIXWZMZLNMZBQZ-NEPJUHHUSA-N 0 0 312.366 0.084 50 0 DCAARN Cc1ccc2nc(COC(=O)C3=COCCO3)cc(=O)n2c1 ZINC000005427526 181242102 /nfs/dbraw/zinc/24/21/02/181242102.db2.gz AAVSOFXQLNUPIY-UHFFFAOYSA-N 0 0 302.286 0.934 50 0 DCAARN NC(=O)c1cnc2n1CCN(C(=O)c1cn3ccsc3n1)C2 ZINC000065405819 283389188 /nfs/dbraw/zinc/38/91/88/283389188.db2.gz PVBVMDUGQJDYLJ-UHFFFAOYSA-N 0 0 316.346 0.347 50 0 DCAARN COc1ccc2c(COC(=O)Cn3cnnn3)cc(=O)oc2c1 ZINC000005938693 181298382 /nfs/dbraw/zinc/29/83/82/181298382.db2.gz DNQKVSDXQKJFPY-UHFFFAOYSA-N 0 0 316.273 0.532 50 0 DCAARN O=C(Cn1nc2n(c1=O)CCCCC2)N1CCN(C2CC2)CC1 ZINC000089819260 192878783 /nfs/dbraw/zinc/87/87/83/192878783.db2.gz YMVPCVOALPFSKI-UHFFFAOYSA-N 0 0 319.409 0.078 50 0 DCAARN Cc1ccccc1[C@H]1CN(C(=O)CN2CCNCC2=O)CCO1 ZINC000237685760 202328358 /nfs/dbraw/zinc/32/83/58/202328358.db2.gz RBOMQAVYADRQHB-OAHLLOKOSA-N 0 0 317.389 0.327 50 0 DCAARN C[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000042535752 296008801 /nfs/dbraw/zinc/00/88/01/296008801.db2.gz JESBOMOVLKLFAM-NWDGAFQWSA-N 0 0 314.411 0.202 50 0 DCAARN NC(=O)C1=NO[C@@H](CNC(=O)c2n[nH]c3c2CCCCC3)C1 ZINC000194073715 201174135 /nfs/dbraw/zinc/17/41/35/201174135.db2.gz MVNJXDGGNXONBB-MRVPVSSYSA-N 0 0 305.338 0.039 50 0 DCAARN COCc1nnc(NC(=O)CN2CCn3cccc3C2)s1 ZINC000244866600 202502910 /nfs/dbraw/zinc/50/29/10/202502910.db2.gz VYUUPNUAKMBICU-UHFFFAOYSA-N 0 0 307.379 0.940 50 0 DCAARN NC(=O)[C@@H]1CC[C@H]1C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000408524451 239273481 /nfs/dbraw/zinc/27/34/81/239273481.db2.gz DEZMOAAHTONHGI-VXGBXAGGSA-N 0 0 307.325 0.183 50 0 DCAARN O=C1NCC[C@@H]1Oc1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC000408525408 239273566 /nfs/dbraw/zinc/27/35/66/239273566.db2.gz IHUPZBSWLFADJF-ZDUSSCGKSA-N 0 0 310.375 0.642 50 0 DCAARN CCS(=O)(=O)C1CN(CC(=O)NCc2cccc(C)c2)C1 ZINC000408523997 239273657 /nfs/dbraw/zinc/27/36/57/239273657.db2.gz PFEVDSQPQYAWAN-UHFFFAOYSA-N 0 0 310.419 0.730 50 0 DCAARN CN(Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)Cc1ccccc1 ZINC000006529477 181351046 /nfs/dbraw/zinc/35/10/46/181351046.db2.gz LLVGFPWNUPYYTQ-UHFFFAOYSA-N 0 0 313.361 0.592 50 0 DCAARN O=C(Cn1cnc2ccccc2c1=O)NCCCn1ccnc1 ZINC000006650910 181364927 /nfs/dbraw/zinc/36/49/27/181364927.db2.gz DHKOEXCJZPXKKU-UHFFFAOYSA-N 0 0 311.345 0.800 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCO)cc1C(=O)N1CCCC1 ZINC000006703603 181374575 /nfs/dbraw/zinc/37/45/75/181374575.db2.gz DKDLFRGXYWOXBQ-UHFFFAOYSA-N 0 0 312.391 0.502 50 0 DCAARN O=C(c1ccc2c(c1)OCO2)N1CC(N2C(=O)CSC2=O)C1 ZINC000206954875 201431843 /nfs/dbraw/zinc/43/18/43/201431843.db2.gz GTKKDYNLJHGHHL-UHFFFAOYSA-N 0 0 320.326 0.935 50 0 DCAARN Cn1c(CNC(=O)CCCc2ccccc2)cc(=O)n(C)c1=O ZINC000006719821 181376899 /nfs/dbraw/zinc/37/68/99/181376899.db2.gz IXNVYYDOOUKXNB-UHFFFAOYSA-N 0 0 315.373 0.723 50 0 DCAARN NC(=O)c1c(NC(=O)C(=O)N2CCCC2)sc2c1CCC2 ZINC000006756910 181383753 /nfs/dbraw/zinc/38/37/53/181383753.db2.gz FJMKAVLYJLYXAY-UHFFFAOYSA-N 0 0 307.375 0.897 50 0 DCAARN Cc1cc(C)n(C2CN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)n1 ZINC000091526259 193069957 /nfs/dbraw/zinc/06/99/57/193069957.db2.gz BWEZCQYLKHWXSI-LBPRGKRZSA-N 0 0 305.382 0.674 50 0 DCAARN CCn1nc(C)c(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)c1C ZINC000091643705 193083980 /nfs/dbraw/zinc/08/39/80/193083980.db2.gz ANBFHSDRZPHXKH-LBPRGKRZSA-N 0 0 321.381 0.167 50 0 DCAARN CC(C)N1CCC[C@]2(CCN(C(=O)CN3CCOC3=O)C2)C1=O ZINC000091679605 193090620 /nfs/dbraw/zinc/09/06/20/193090620.db2.gz MMPGVHVKEGESKW-MRXNPFEDSA-N 0 0 323.393 0.688 50 0 DCAARN O=C(NCCn1ccnc1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 ZINC000091713336 193095832 /nfs/dbraw/zinc/09/58/32/193095832.db2.gz BXPQJTHXMXWSAW-CQSZACIVSA-N 0 0 313.361 0.443 50 0 DCAARN COCCn1cnnc1CCNC(=O)c1ccc2nccn2c1 ZINC000091755634 193101865 /nfs/dbraw/zinc/10/18/65/193101865.db2.gz PKPRNFLPUNHSJG-UHFFFAOYSA-N 0 0 314.349 0.545 50 0 DCAARN CCn1nc(CC(C)C)cc1C(=O)N1CCNC(=O)[C@H]1CCO ZINC000091809061 193110843 /nfs/dbraw/zinc/11/08/43/193110843.db2.gz HURXHHQOKXIXEJ-CYBMUJFWSA-N 0 0 322.409 0.425 50 0 DCAARN CCn1nc(CNC(=O)CN2C(=O)CNC2=O)c2ccccc21 ZINC000091830170 193114346 /nfs/dbraw/zinc/11/43/46/193114346.db2.gz UAKQVQCCAJICHH-UHFFFAOYSA-N 0 0 315.333 0.224 50 0 DCAARN O=C(NCc1ncc2c(n1)CCC2)[C@H]1CC(=O)N(C2CC2)C1 ZINC000091987170 193136841 /nfs/dbraw/zinc/13/68/41/193136841.db2.gz HJGLWVJMASBFOO-NSHDSACASA-N 0 0 300.362 0.592 50 0 DCAARN COc1ccccc1CCC(=O)N1CCN(C(C)=O)C[C@@H](O)C1 ZINC000092062189 193150504 /nfs/dbraw/zinc/15/05/04/193150504.db2.gz SHZWJYDYLWTGHN-OAHLLOKOSA-N 0 0 320.389 0.679 50 0 DCAARN CC(C)CS(=O)(=O)CCNC(=O)c1ccc(=O)n(C)c1 ZINC000215500948 201461477 /nfs/dbraw/zinc/46/14/77/201461477.db2.gz KKWCQQSJBULBOL-UHFFFAOYSA-N 0 0 300.380 0.186 50 0 DCAARN O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1)N1CCC1 ZINC000215758349 201468833 /nfs/dbraw/zinc/46/88/33/201468833.db2.gz JTVHVFHGZJQXBR-LBPRGKRZSA-N 0 0 324.402 0.847 50 0 DCAARN O=C(NC[C@@H](O)CO)c1coc(COc2cccc(F)c2)n1 ZINC000092099092 193158550 /nfs/dbraw/zinc/15/85/50/193158550.db2.gz RSGYJYAAXZZTEI-SNVBAGLBSA-N 0 0 310.281 0.476 50 0 DCAARN O=C(Cc1cccc(O)c1)N[C@H]1COC[C@@H]1N1CCOCC1 ZINC000218791900 201543167 /nfs/dbraw/zinc/54/31/67/201543167.db2.gz ASSRNFRXXMLHBU-GJZGRUSLSA-N 0 0 306.362 0.151 50 0 DCAARN CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1nn(C)cc1Cl ZINC000218978257 201546960 /nfs/dbraw/zinc/54/69/60/201546960.db2.gz WJTHQLPKQMOOSH-OAIFWDMCSA-N 0 0 312.757 0.095 50 0 DCAARN Cc1ncsc1CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC000219775914 201564284 /nfs/dbraw/zinc/56/42/84/201564284.db2.gz YRJAPKMQHLSOAV-VIFPVBQESA-N 0 0 305.425 0.438 50 0 DCAARN C/C=C\C[C@@H](CO)NC(=O)CNC(=O)c1cccc(OC)c1 ZINC000221875731 201595393 /nfs/dbraw/zinc/59/53/93/201595393.db2.gz JLQSVIWHSQFSLP-SCOBNMCVSA-N 0 0 306.362 0.868 50 0 DCAARN CO[C@@H]1CCOC[C@H]1NC(=O)c1coc(CN2CCOCC2)c1 ZINC000222612573 201615441 /nfs/dbraw/zinc/61/54/41/201615441.db2.gz JWTFRZNACMOXPH-HUUCEWRRSA-N 0 0 324.377 0.646 50 0 DCAARN CSCC[C@@H](O)C(=O)NCc1ccc(C(=O)N(C)C)o1 ZINC000223735667 201655112 /nfs/dbraw/zinc/65/51/12/201655112.db2.gz WQWVFHWWPVDJPB-SNVBAGLBSA-N 0 0 300.380 0.712 50 0 DCAARN COc1ccc([C@H](NC(=O)c2c[nH]c(=O)[nH]2)[C@H]2C[C@@H](O)C2)cn1 ZINC000252540173 202865547 /nfs/dbraw/zinc/86/55/47/202865547.db2.gz OUYUOXMAFWLDDH-CWSCBRNRSA-N 0 0 318.333 0.349 50 0 DCAARN Cc1noc([C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)n1 ZINC000095954653 193458068 /nfs/dbraw/zinc/45/80/68/193458068.db2.gz PJTOZCXKKSZKTH-JTQLQIEISA-N 0 0 311.367 0.680 50 0 DCAARN CNC(=O)c1ccc(C)c(NC(=O)NCCN2CCNC2=O)c1 ZINC000096133731 193548393 /nfs/dbraw/zinc/54/83/93/193548393.db2.gz MZKMQUAZTQSEMX-UHFFFAOYSA-N 0 0 319.365 0.501 50 0 DCAARN Cc1ccc(S(=O)(=O)N(C)CCn2cnnc2)cc1N(C)C ZINC000096472830 193660722 /nfs/dbraw/zinc/66/07/22/193660722.db2.gz ALTLUEUIQMPUFK-UHFFFAOYSA-N 0 0 323.422 0.973 50 0 DCAARN CCCC[C@@]1(C)NC(=O)N(CC(=O)NC(=O)NC(C)C)C1=O ZINC000008328232 181548780 /nfs/dbraw/zinc/54/87/80/181548780.db2.gz MWCPOATVOBRLJX-CQSZACIVSA-N 0 0 312.370 0.721 50 0 DCAARN O=C([O-])[C@@H]1c2nc[nH]c2CCN1C(=O)CC[NH+]1CCCCC1 ZINC000072418202 304162664 /nfs/dbraw/zinc/16/26/64/304162664.db2.gz NRHKIFSGAPOXRO-AWEZNQCLSA-N 0 0 306.366 0.796 50 0 DCAARN Cc1nc(C)c(C(=O)OCc2nc(N)nc(N(C)C)n2)s1 ZINC000009114456 181602519 /nfs/dbraw/zinc/60/25/19/181602519.db2.gz WJNUNMUVQHKKCX-UHFFFAOYSA-N 0 0 308.367 0.950 50 0 DCAARN Cc1cc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)no1 ZINC000009135156 181602775 /nfs/dbraw/zinc/60/27/75/181602775.db2.gz FZESCVYGVWPIAQ-UHFFFAOYSA-N 0 0 303.274 0.967 50 0 DCAARN CCCS(=O)(=O)Nc1cccc(C(=O)N[C@@H](C)CO)c1 ZINC000097202312 193689914 /nfs/dbraw/zinc/68/99/14/193689914.db2.gz FXGCMGFEXRKTHZ-JTQLQIEISA-N 0 0 300.380 0.949 50 0 DCAARN CCn1nnc2c1ncn(CC(=O)c1ccc(OC)cc1)c2=O ZINC000013531668 181858837 /nfs/dbraw/zinc/85/88/37/181858837.db2.gz AMBPJZGWGHQUOG-UHFFFAOYSA-N 0 0 313.317 0.899 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCC2=O)cc1 ZINC000014075968 181923666 /nfs/dbraw/zinc/92/36/66/181923666.db2.gz HUYBVTVEVIPCTQ-LBPRGKRZSA-N 0 0 322.386 0.730 50 0 DCAARN CS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000016527345 182048377 /nfs/dbraw/zinc/04/83/77/182048377.db2.gz LIKWFEMNKSMMTD-JTQLQIEISA-N 0 0 319.404 0.547 50 0 DCAARN O=C(NCCCN1CCOCC1)c1cnc2sccn2c1=O ZINC000016647889 182055640 /nfs/dbraw/zinc/05/56/40/182055640.db2.gz OMKFQBGBWJVVBZ-UHFFFAOYSA-N 0 0 322.390 0.208 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(F)cc1 ZINC000016960960 182066722 /nfs/dbraw/zinc/06/67/22/182066722.db2.gz YSLRBEROFXVVOX-LBPRGKRZSA-N 0 0 300.355 0.866 50 0 DCAARN Nc1nc(N)nc(COC(=O)CCC(=O)c2cccs2)n1 ZINC000017483635 182084833 /nfs/dbraw/zinc/08/48/33/182084833.db2.gz VIUFVVCTIBTOFA-UHFFFAOYSA-N 0 0 307.335 0.804 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cccn2)cc1 ZINC000017636941 182085278 /nfs/dbraw/zinc/08/52/78/182085278.db2.gz UKAJXYRNNMXPBS-LBPRGKRZSA-N 0 0 305.359 0.789 50 0 DCAARN O=C(NCCN1CCOCC1)c1cncc(Br)c1 ZINC000019691165 182137316 /nfs/dbraw/zinc/13/73/16/182137316.db2.gz HRJAFCAVJHVTOR-UHFFFAOYSA-N 0 0 314.183 0.906 50 0 DCAARN Cc1ccc(C)c(OC[C@@H](O)CN2CCN(CCO)CC2)c1 ZINC000019770993 182145293 /nfs/dbraw/zinc/14/52/93/182145293.db2.gz PDAAKHWWKUVEDX-INIZCTEOSA-N 0 0 308.422 0.653 50 0 DCAARN O=C(NCCN1CCOCC1)C(=O)Nc1cccc(Cl)c1 ZINC000019831306 182154767 /nfs/dbraw/zinc/15/47/67/182154767.db2.gz UYNVOTXCYFLTET-UHFFFAOYSA-N 0 0 311.769 0.727 50 0 DCAARN O=C(NCCN1CCOCC1)[C@H]1CC(c2ccccc2F)=NO1 ZINC000019894425 182161929 /nfs/dbraw/zinc/16/19/29/182161929.db2.gz RMPUUQZWZSNGFJ-OAHLLOKOSA-N 0 0 321.352 0.767 50 0 DCAARN O=C(NCCN1CCOCC1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000019913821 182164368 /nfs/dbraw/zinc/16/43/68/182164368.db2.gz MGJRORWQMJWTHG-AWEZNQCLSA-N 0 0 323.437 0.616 50 0 DCAARN CCOc1ccc(N2C(=O)C[C@@H](N[C@@H](C)C(=O)OC)C2=O)cc1 ZINC000020113380 182188237 /nfs/dbraw/zinc/18/82/37/182188237.db2.gz QVJPQDCDNXREIF-GXFFZTMASA-N 0 0 320.345 0.868 50 0 biogenic DCAARN CCOC(=O)N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000020146411 182192672 /nfs/dbraw/zinc/19/26/72/182192672.db2.gz ZBBUNACVCJFPKH-UHFFFAOYSA-N 0 0 319.427 0.185 50 0 DCAARN COc1cc2nc(CN3CCOCC3)[nH]c(=O)c2cc1OC ZINC000020228793 182199515 /nfs/dbraw/zinc/19/95/15/182199515.db2.gz QCRNBQOSCFNIKM-UHFFFAOYSA-N 0 0 305.334 0.773 50 0 DCAARN Cc1ccccc1Cn1cc(C(=O)N(C)C[C@@H](O)CO)nn1 ZINC000020406283 182214946 /nfs/dbraw/zinc/21/49/46/182214946.db2.gz JDIXUXUJMZETCC-CYBMUJFWSA-N 0 0 304.350 0.060 50 0 DCAARN COCCN1CCN(Cc2nc(-c3ccccn3)no2)CC1 ZINC000020534176 182227510 /nfs/dbraw/zinc/22/75/10/182227510.db2.gz OEXMXLDUCABAMJ-UHFFFAOYSA-N 0 0 303.366 0.896 50 0 DCAARN CC[C@H](C)[C@H](NC(=O)c1cccc(-n2cnnn2)c1)C(=O)OC ZINC000020724715 182243826 /nfs/dbraw/zinc/24/38/26/182243826.db2.gz LOQGOIGAFGNWAC-GWCFXTLKSA-N 0 0 317.349 0.980 50 0 DCAARN C[C@H]1CCC(=O)N1CC(=O)N1CCC(c2nncn2C)CC1 ZINC000020601174 182236446 /nfs/dbraw/zinc/23/64/46/182236446.db2.gz AVQOTKKOLJPDJN-NSHDSACASA-N 0 0 305.382 0.532 50 0 DCAARN CCNc1nc(NCOC)nc(Oc2ccc(=O)n(C)n2)n1 ZINC000020731236 182244614 /nfs/dbraw/zinc/24/46/14/182244614.db2.gz MFNULJYWVMMUSS-UHFFFAOYSA-N 0 0 307.314 0.205 50 0 DCAARN CC(C)NC(=O)CN1CCN(Cc2nc(CC3CC3)no2)CC1 ZINC000020775780 182246976 /nfs/dbraw/zinc/24/69/76/182246976.db2.gz ZUGYUQZFYHYCHL-UHFFFAOYSA-N 0 0 321.425 0.664 50 0 DCAARN O=C(CN1C(=O)CC(c2ccccc2)CC1=O)N1CCOCC1 ZINC000020850560 182249494 /nfs/dbraw/zinc/24/94/94/182249494.db2.gz ZLFTVBXYKFQKMM-UHFFFAOYSA-N 0 0 316.357 0.778 50 0 DCAARN Cc1nn(C)c(C)c1C(=O)O[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000022133618 182310040 /nfs/dbraw/zinc/31/00/40/182310040.db2.gz UPLLEJBUTTXGRL-VIFPVBQESA-N 0 0 308.338 0.570 50 0 DCAARN O=C(CNC(=O)C1CCCCC1)NCCCN1CCOCC1 ZINC000022289219 182316634 /nfs/dbraw/zinc/31/66/34/182316634.db2.gz ZTTPAQWSEFROBM-UHFFFAOYSA-N 0 0 311.426 0.521 50 0 DCAARN CCCCn1c(Br)nc2c1n(C)c(=O)n(C)c2=O ZINC000022847906 182336652 /nfs/dbraw/zinc/33/66/52/182336652.db2.gz DWTIGMPAXUPYRH-UHFFFAOYSA-N 0 0 315.171 0.996 50 0 DCAARN O=C(COCc1nc2ccccc2s1)N1CCNC(=O)C1 ZINC000023420301 182360980 /nfs/dbraw/zinc/36/09/80/182360980.db2.gz YHNGIHDUFHJFFJ-UHFFFAOYSA-N 0 0 305.359 0.771 50 0 DCAARN COC(=O)c1ccoc1Cn1nnn(-c2ccccc2)c1=O ZINC000023487557 182362468 /nfs/dbraw/zinc/36/24/68/182362468.db2.gz XGMBLYSSSPKLSZ-UHFFFAOYSA-N 0 0 300.274 0.857 50 0 DCAARN Cn1ncc2c1ncnc2NC1CCN(S(C)(=O)=O)CC1 ZINC000024989579 182397799 /nfs/dbraw/zinc/39/77/99/182397799.db2.gz SSARSLINXYAPCI-UHFFFAOYSA-N 0 0 310.383 0.199 50 0 DCAARN Cc1ccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)n1C ZINC000025270974 182406840 /nfs/dbraw/zinc/40/68/40/182406840.db2.gz UNNWWDIFFQWCDP-UHFFFAOYSA-N 0 0 307.375 0.911 50 0 DCAARN Cc1cc(C(=O)N(C)Cc2cnn(C)c2)c2c(=O)[nH]n(C)c2n1 ZINC000025304002 182408218 /nfs/dbraw/zinc/40/82/18/182408218.db2.gz JMOLGFNHRWCQBI-UHFFFAOYSA-N 0 0 314.349 0.576 50 0 DCAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)o1 ZINC000028223434 182512529 /nfs/dbraw/zinc/51/25/29/182512529.db2.gz GFJJZHASINIWLY-LLVKDONJSA-N 0 0 300.380 0.876 50 0 DCAARN CS(=O)(=O)N1CCN(Cn2c3ccccc3oc2=O)CC1 ZINC000028787174 182539022 /nfs/dbraw/zinc/53/90/22/182539022.db2.gz XEIRFUVSLAXREY-UHFFFAOYSA-N 0 0 311.363 0.129 50 0 DCAARN CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(F)c2)CC1 ZINC000032401374 182641360 /nfs/dbraw/zinc/64/13/60/182641360.db2.gz ISKQDTAJFUCQOX-UHFFFAOYSA-N 0 0 300.355 0.987 50 0 DCAARN COc1ccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 ZINC000032796888 182664658 /nfs/dbraw/zinc/66/46/58/182664658.db2.gz IMNBOXFGIXFDNL-UHFFFAOYSA-N 0 0 312.391 0.803 50 0 DCAARN C[C@@H](c1ccccc1)n1nnnc1N1CCC(O)(CO)CC1 ZINC000067896410 296237259 /nfs/dbraw/zinc/23/72/59/296237259.db2.gz QUCXBQJLXJLZJI-LBPRGKRZSA-N 0 0 303.366 0.606 50 0 DCAARN Cc1cc(=O)c(C(=O)N(C)CC(N)=O)nn1-c1ccccc1 ZINC000065606088 291648784 /nfs/dbraw/zinc/64/87/84/291648784.db2.gz JMBUGZAUORQMQA-UHFFFAOYSA-N 0 0 300.318 0.098 50 0 DCAARN O=C(CN1C(=O)CCC1=O)NC[C@@H]1COC2(CCCCC2)O1 ZINC000038936613 183013282 /nfs/dbraw/zinc/01/32/82/183013282.db2.gz BOSOGOWZSNMTHA-LLVKDONJSA-N 0 0 310.350 0.327 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000040509308 183086280 /nfs/dbraw/zinc/08/62/80/183086280.db2.gz GXQISEURYCHRJT-VXGBXAGGSA-N 0 0 322.386 0.343 50 0 DCAARN CN(CCCNC(=O)c1[nH]nc2ccccc21)S(C)(=O)=O ZINC000040515396 183088825 /nfs/dbraw/zinc/08/88/25/183088825.db2.gz XCCYWBSQXSMHCK-UHFFFAOYSA-N 0 0 310.379 0.574 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCOC2=O)cc1 ZINC000040523550 183091712 /nfs/dbraw/zinc/09/17/12/183091712.db2.gz TYWJGJLTPLDOMY-LLVKDONJSA-N 0 0 324.358 0.560 50 0 DCAARN CC[C@](C)(CNS(=O)(=O)c1cnn(C)c1)N1CCOCC1 ZINC000040528194 183093507 /nfs/dbraw/zinc/09/35/07/183093507.db2.gz JIACQVKLRMVFSZ-CYBMUJFWSA-N 0 0 316.427 0.199 50 0 DCAARN O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000040539305 183096455 /nfs/dbraw/zinc/09/64/55/183096455.db2.gz ISIPVFNSYVHLML-UHFFFAOYSA-N 0 0 307.375 0.311 50 0 DCAARN Cn1c2ncn(CCCC(=O)NC(C)(C)C)c2c(=O)n(C)c1=O ZINC000040457567 183068928 /nfs/dbraw/zinc/06/89/28/183068928.db2.gz DGKGZSGUOUIILI-UHFFFAOYSA-N 0 0 321.381 0.129 50 0 DCAARN CC(C)Cc1noc([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 ZINC000040714811 183123129 /nfs/dbraw/zinc/12/31/29/183123129.db2.gz PQJIOMQGULGXHC-LLVKDONJSA-N 0 0 319.369 0.661 50 0 DCAARN COc1cccc(CO[C@H](C)C(=O)N2CC[C@@H](C(N)=O)C2)c1 ZINC000041126294 183168791 /nfs/dbraw/zinc/16/87/91/183168791.db2.gz ZGBCNWCHLIRICT-DGCLKSJQSA-N 0 0 306.362 0.934 50 0 DCAARN CCn1nc(C)c2c1cnn2CC(=O)N(C)Cc1ccnn1C ZINC000041124183 183169106 /nfs/dbraw/zinc/16/91/06/183169106.db2.gz WPUYOLHASSXDGY-UHFFFAOYSA-N 0 0 315.381 0.953 50 0 DCAARN CS(=O)(=O)N1CCc2cc(C(=O)NC[C@H]3CCOC3)ccc21 ZINC000041373330 183187457 /nfs/dbraw/zinc/18/74/57/183187457.db2.gz SUVCMOBKBADUPP-LLVKDONJSA-N 0 0 324.402 0.775 50 0 DCAARN O=C(NC[C@@H]1CCOC1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000041938848 183226133 /nfs/dbraw/zinc/22/61/33/183226133.db2.gz UIYIBKMIYGATMU-KBPBESRZSA-N 0 0 301.350 0.610 50 0 DCAARN Cc1nn(C)c(C)c1CC(=O)NCCN1C[C@@H](C)O[C@H](C)C1 ZINC000042032487 183229858 /nfs/dbraw/zinc/22/98/58/183229858.db2.gz ZGEXODRXBMNSMY-VXGBXAGGSA-N 0 0 308.426 0.805 50 0 DCAARN CCCNC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 ZINC000042467725 183273379 /nfs/dbraw/zinc/27/33/79/183273379.db2.gz XHYQTEJKGRPLHG-VXGBXAGGSA-N 0 0 312.414 0.411 50 0 DCAARN CN1CC[C@H](C(=O)NCc2nncn2-c2ccccc2)CC1=O ZINC000042496738 183277077 /nfs/dbraw/zinc/27/70/77/183277077.db2.gz QASWLJPHJLSTIX-LBPRGKRZSA-N 0 0 313.361 0.752 50 0 DCAARN O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1cccnc1 ZINC000042394547 183263290 /nfs/dbraw/zinc/26/32/90/183263290.db2.gz WYFCIRSYNQDMAA-HUUCEWRRSA-N 0 0 305.378 0.549 50 0 DCAARN C[C@@H](NC(=O)CCN1CCSC1=O)c1nnc2n1CCC2 ZINC000042536388 183282247 /nfs/dbraw/zinc/28/22/47/183282247.db2.gz VGUNFSXIYKEZIJ-SECBINFHSA-N 0 0 309.395 0.960 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(NC(=O)NCCCO)cc1 ZINC000043382403 183358199 /nfs/dbraw/zinc/35/81/99/183358199.db2.gz MOMQVKAZTFIIIB-UHFFFAOYSA-N 0 0 301.368 0.441 50 0 DCAARN CN1C(=O)N(CC(=O)N2CCOCC2)C(=O)C12CCCCC2 ZINC000043462085 183364735 /nfs/dbraw/zinc/36/47/35/183364735.db2.gz JWUYHLSTFTTYEQ-UHFFFAOYSA-N 0 0 309.366 0.442 50 0 DCAARN NC(=O)[C@H]1CC(C(=O)OC[C@@H]2CCCO2)=NN1c1ccccc1 ZINC000043976340 183391341 /nfs/dbraw/zinc/39/13/41/183391341.db2.gz WMGDLMWBDCCCQV-GXTWGEPZSA-N 0 0 317.345 0.829 50 0 DCAARN O=C(NCCNc1cnccn1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000044913680 183456046 /nfs/dbraw/zinc/45/60/46/183456046.db2.gz ZKQBCYZHBIAEKC-ZDUSSCGKSA-N 0 0 312.329 0.786 50 0 DCAARN C[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1nnc2n1CCCCC2 ZINC000046353654 183560447 /nfs/dbraw/zinc/56/04/47/183560447.db2.gz PQGUIDQAGVEKBY-JTQLQIEISA-N 0 0 318.381 0.790 50 0 DCAARN CCn1cnnc1CNC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000047020564 183578059 /nfs/dbraw/zinc/57/80/59/183578059.db2.gz UJUBLFTVPRWRMH-UHFFFAOYSA-N 0 0 323.378 0.136 50 0 DCAARN CCOc1ccnc(N2CCN(C(=O)c3cn[nH]c3)CC2)n1 ZINC000105820013 194135488 /nfs/dbraw/zinc/13/54/88/194135488.db2.gz HMXGZMUJYHUWLN-UHFFFAOYSA-N 0 0 302.338 0.561 50 0 DCAARN CCOCCN1CCN([C@H](C)C(=O)Nc2ncccn2)C[C@@H]1C ZINC000106776964 194251689 /nfs/dbraw/zinc/25/16/89/194251689.db2.gz KJXCXLCFZDPXLE-UONOGXRCSA-N 0 0 321.425 0.846 50 0 DCAARN CC(=O)N1CCN(C(=O)CN2c3ccccc3CCC2=O)CC1 ZINC000110594531 194340564 /nfs/dbraw/zinc/34/05/64/194340564.db2.gz AJPCPMJXZXQYFN-UHFFFAOYSA-N 0 0 315.373 0.657 50 0 DCAARN O=C(NCCN1CCOCC1)c1cn(Cc2ccccc2)nn1 ZINC000055544407 183990273 /nfs/dbraw/zinc/99/02/73/183990273.db2.gz QGOIRXNKVPDWAX-UHFFFAOYSA-N 0 0 315.377 0.388 50 0 DCAARN CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C1Cc2ccccc2C1 ZINC000056299914 184009915 /nfs/dbraw/zinc/00/99/15/184009915.db2.gz QMUPLDKSHUZZEI-ZDUSSCGKSA-N 0 0 301.346 0.600 50 0 DCAARN CC1(C)Oc2cc(S(=O)(=O)NCCO)ccc2NC1=O ZINC000057280377 184031672 /nfs/dbraw/zinc/03/16/72/184031672.db2.gz RSHQLSIWFIGVMA-UHFFFAOYSA-N 0 0 300.336 0.067 50 0 DCAARN CC(C)N1CCN(C(=O)c2ccnc(-n3cncn3)c2)CC1 ZINC000057339416 184033766 /nfs/dbraw/zinc/03/37/66/184033766.db2.gz XDDHAKFYGNOITC-UHFFFAOYSA-N 0 0 300.366 0.829 50 0 DCAARN CCN(CC)C(=O)c1cc(OCC(=O)N2CCCC2)n(C)n1 ZINC000057355302 184035534 /nfs/dbraw/zinc/03/55/34/184035534.db2.gz BYSGUCVHMVIQHA-UHFFFAOYSA-N 0 0 308.382 0.903 50 0 DCAARN COc1ccc(C(=O)N2CC(=O)N(C)[C@H](C)C2)cc1OCCO ZINC000285893940 218695255 /nfs/dbraw/zinc/69/52/55/218695255.db2.gz JHJHHZNXDNNUHY-LLVKDONJSA-N 0 0 322.361 0.369 50 0 DCAARN CCS(=O)(=O)NC1CCN(C(=O)Nc2cn[nH]c2)CC1 ZINC000058061352 184072964 /nfs/dbraw/zinc/07/29/64/184072964.db2.gz PDTYJHSQXGTXDX-UHFFFAOYSA-N 0 0 301.372 0.345 50 0 DCAARN Cc1ccc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)nc1 ZINC000058225636 184090346 /nfs/dbraw/zinc/09/03/46/184090346.db2.gz XYCMRKATITXHGP-JTQLQIEISA-N 0 0 300.405 0.785 50 0 DCAARN COc1cccc(OC)c1C(=O)O[C@@H](C)C(=O)N1CCNC1=O ZINC000058152679 184081715 /nfs/dbraw/zinc/08/17/15/184081715.db2.gz XAJKSJXHZAJAGC-VIFPVBQESA-N 0 0 322.317 0.801 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)Nc2ccc[nH]c2=O)cc1 ZINC000058277421 184098253 /nfs/dbraw/zinc/09/82/53/184098253.db2.gz JJUFRNLGGCNGDV-UHFFFAOYSA-N 0 0 307.331 0.535 50 0 DCAARN CCCS(=O)(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000058282030 184099555 /nfs/dbraw/zinc/09/95/55/184099555.db2.gz NUCMBFPGMDYZIP-UHFFFAOYSA-N 0 0 302.371 0.814 50 0 DCAARN Cc1cc([C@@H](C)NC(=O)CN2CCS(=O)(=O)CC2)c(C)o1 ZINC000058289673 184100365 /nfs/dbraw/zinc/10/03/65/184100365.db2.gz HLBXLUPZXWULFS-LLVKDONJSA-N 0 0 314.407 0.804 50 0 DCAARN CN(C)S(=O)(=O)NCCNC(=O)c1ccc(F)cc1F ZINC000058291508 184100704 /nfs/dbraw/zinc/10/07/04/184100704.db2.gz NQTCCRGTHMSHAC-UHFFFAOYSA-N 0 0 307.322 0.091 50 0 DCAARN CN(CC1CC1)C(=O)CN1C(=O)c2ccccc2CS1(=O)=O ZINC000058290085 184100766 /nfs/dbraw/zinc/10/07/66/184100766.db2.gz UJISKUGGCMMUIP-UHFFFAOYSA-N 0 0 322.386 0.841 50 0 DCAARN CNC(=O)NC(=O)CN(Cc1ccc(O)c(OC)c1)C1CC1 ZINC000058332201 184106627 /nfs/dbraw/zinc/10/66/27/184106627.db2.gz ISWNMMBHBPJXOL-UHFFFAOYSA-N 0 0 307.350 0.821 50 0 DCAARN CC[C@H](O)CN(Cc1cc(=O)n(C)c(=O)n1C)c1ccccc1 ZINC000058331885 184106920 /nfs/dbraw/zinc/10/69/20/184106920.db2.gz GRMQLSARMACQCT-HNNXBMFYSA-N 0 0 317.389 0.862 50 0 DCAARN Cc1ccc(CNC(=O)COC(=O)[C@H]2COCCO2)cc1F ZINC000058709841 184126688 /nfs/dbraw/zinc/12/66/88/184126688.db2.gz DNBKGHPERSWNAB-CYBMUJFWSA-N 0 0 311.309 0.709 50 0 DCAARN COc1ccc(OC)c(C(=O)N[C@@H](C)C(=O)N2CCOCC2)c1 ZINC000058406962 184114374 /nfs/dbraw/zinc/11/43/74/184114374.db2.gz AJZUPSPHYGFJQW-NSHDSACASA-N 0 0 322.361 0.681 50 0 DCAARN COCC(=O)N1CCN(Cc2nc3ccccc3n2C)CC1 ZINC000062012595 184201018 /nfs/dbraw/zinc/20/10/18/184201018.db2.gz HVJCDDZBCIGWMJ-UHFFFAOYSA-N 0 0 302.378 0.864 50 0 DCAARN CCCc1ccc(CN2CCN3C(=O)CN(C)C(=O)[C@H]3C2)o1 ZINC000065369871 184329173 /nfs/dbraw/zinc/32/91/73/184329173.db2.gz NPJSQZRSIBRTIH-CQSZACIVSA-N 0 0 305.378 0.717 50 0 DCAARN Cn1nnnc1SCCNCc1nc(-c2ccco2)no1 ZINC000065383471 184332758 /nfs/dbraw/zinc/33/27/58/184332758.db2.gz AROXALRCTWORBP-UHFFFAOYSA-N 0 0 307.339 0.735 50 0 DCAARN COCCN(Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H](C)COC ZINC000065415698 184340498 /nfs/dbraw/zinc/34/04/98/184340498.db2.gz QAJNZJXALRKCES-SNVBAGLBSA-N 0 0 309.370 0.140 50 0 DCAARN CN(CC(=O)Nc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000065440052 184345188 /nfs/dbraw/zinc/34/51/88/184345188.db2.gz ZEDINILCFSDAHM-JTQLQIEISA-N 0 0 317.798 0.792 50 0 DCAARN C[C@@H]1CN(CCNC(=O)NCCCn2ccnc2)C[C@H](C)O1 ZINC000065452700 184346632 /nfs/dbraw/zinc/34/66/32/184346632.db2.gz BFFLQNKFNRJBKM-OKILXGFUSA-N 0 0 309.414 0.682 50 0 DCAARN NC(=O)[C@H]1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000065488647 184353024 /nfs/dbraw/zinc/35/30/24/184353024.db2.gz HMVCWTDSDDSOIA-NSHDSACASA-N 0 0 320.374 0.368 50 0 DCAARN c1ncn(CCN2CCN(Cc3cccc4c3OCO4)CC2)n1 ZINC000065396258 184335488 /nfs/dbraw/zinc/33/54/88/184335488.db2.gz GISGYIRNLRZJGB-UHFFFAOYSA-N 0 0 315.377 0.825 50 0 DCAARN CC(=O)NCCNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000065401531 184337101 /nfs/dbraw/zinc/33/71/01/184337101.db2.gz LLVBIROMFWVPPP-NSHDSACASA-N 0 0 323.780 0.945 50 0 DCAARN CC[C@@H](OC)C(=O)N1CCc2nc(N(C)C)[nH]c(=O)c2CC1 ZINC000065529271 184360277 /nfs/dbraw/zinc/36/02/77/184360277.db2.gz LTWRXWQLFCRGSL-GFCCVEGCSA-N 0 0 308.382 0.188 50 0 DCAARN COc1ccccc1[C@H](C)N(C)CC(=O)N1CCNC(=O)C1 ZINC000065549206 184364574 /nfs/dbraw/zinc/36/45/74/184364574.db2.gz LNYGYQFYQMPYET-LBPRGKRZSA-N 0 0 305.378 0.646 50 0 DCAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@H]1CCC(=O)N1 ZINC000065590693 184369741 /nfs/dbraw/zinc/36/97/41/184369741.db2.gz SXIIXDPQLOBXFU-NEPJUHHUSA-N 0 0 323.418 0.516 50 0 DCAARN COCCOc1ccc(NC(=O)[C@@H]2CCCN(C(N)=O)C2)cn1 ZINC000065608391 184372213 /nfs/dbraw/zinc/37/22/13/184372213.db2.gz CFTMSAFDLOSOFW-LLVKDONJSA-N 0 0 322.365 0.836 50 0 DCAARN O[C@@H](COCc1ccco1)Cn1nnnc1-c1ccccn1 ZINC000066738102 184426877 /nfs/dbraw/zinc/42/68/77/184426877.db2.gz DAQOAHLNFDYSKM-LLVKDONJSA-N 0 0 301.306 0.906 50 0 DCAARN O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCOC1 ZINC000069325000 184507374 /nfs/dbraw/zinc/50/73/74/184507374.db2.gz AEDAIEQLIZQRJY-NSHDSACASA-N 0 0 309.366 0.394 50 0 DCAARN O=C1NC(=O)C2(Cc3cccc(F)c3N3CCC[C@H]32)C(=O)N1 ZINC000008974890 296356899 /nfs/dbraw/zinc/35/68/99/296356899.db2.gz LFYRHVQJIDASHP-JTQLQIEISA-N 0 0 303.293 0.703 50 0 DCAARN CCN(C[C@H]1CCOC1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000048263385 285090200 /nfs/dbraw/zinc/09/02/00/285090200.db2.gz QVPWBVMPJQPYDS-OLZOCXBDSA-N 0 0 318.439 0.686 50 0 DCAARN COCC(=O)NCCn1nc(-c2cnccn2)cc1C1CC1 ZINC000238978594 533064489 /nfs/dbraw/zinc/06/44/89/533064489.db2.gz ZZSXCFDFSMZXJE-UHFFFAOYSA-N 0 0 301.350 0.980 50 0 DCAARN C[C@@H]1C[C@@H](O)CN1CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000340903756 253320284 /nfs/dbraw/zinc/32/02/84/253320284.db2.gz IWIQRHMEDFHBAY-BXUZGUMPSA-N 0 0 305.378 0.782 50 0 DCAARN CNC(=O)CCN(C)C(=O)NCc1cccc(C(=O)NC)c1 ZINC000349727167 254294262 /nfs/dbraw/zinc/29/42/62/254294262.db2.gz MPUJBBIQMBNDNA-UHFFFAOYSA-N 0 0 306.366 0.324 50 0 DCAARN CC1=C(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)CCCO1 ZINC000156236547 197097864 /nfs/dbraw/zinc/09/78/64/197097864.db2.gz FJERWHOVUCDQNI-YPMHNXCESA-N 0 0 316.423 0.905 50 0 DCAARN CCS(=O)(=O)N(C)[C@@H]1CCCN(S(=O)(=O)CC)CC1 ZINC000154525714 196971739 /nfs/dbraw/zinc/97/17/39/196971739.db2.gz MFOBRMLDGRUTDH-LLVKDONJSA-N 0 0 312.457 0.472 50 0 DCAARN COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)c1cnn2ccccc12 ZINC000065397761 291931665 /nfs/dbraw/zinc/93/16/65/291931665.db2.gz LVXHGJYUYAWKCF-GXFFZTMASA-N 0 0 303.318 0.473 50 0 DCAARN CCn1cnnc1CNC(=O)NC[C@@H](O)c1ccccc1OC ZINC000041446066 256533671 /nfs/dbraw/zinc/53/36/71/256533671.db2.gz UYRCRJDINRMOFU-GFCCVEGCSA-N 0 0 319.365 0.839 50 0 DCAARN COC(=O)[C@@H](C)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248459675 256608891 /nfs/dbraw/zinc/60/88/91/256608891.db2.gz VWRMVXOJBXCLBF-DGCLKSJQSA-N 0 0 318.439 0.874 50 0 DCAARN NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1nn2c(nccc2=O)s1 ZINC000252452453 256610570 /nfs/dbraw/zinc/61/05/70/256610570.db2.gz JKWXXCOEQMSREW-BBBLOLIVSA-N 0 0 319.390 0.774 50 0 DCAARN O=C([C@@H](c1cccnc1)N1CCCC1)N1CCS(=O)(=O)CC1 ZINC000095378015 257271984 /nfs/dbraw/zinc/27/19/84/257271984.db2.gz UYXJIYJYKRFEDO-CQSZACIVSA-N 0 0 323.418 0.476 50 0 DCAARN CCCn1c(-n2nc(C)cc2C)nc2c1c(=O)[nH]c(=O)n2C ZINC000012515921 257243008 /nfs/dbraw/zinc/24/30/08/257243008.db2.gz PGAADQGKSACFHI-UHFFFAOYSA-N 0 0 302.338 0.636 50 0 DCAARN CCn1c(C)ccc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1=O ZINC000426615196 257245257 /nfs/dbraw/zinc/24/52/57/257245257.db2.gz RNMVTFWEYPYXTJ-NSHDSACASA-N 0 0 305.334 0.453 50 0 DCAARN NC(=O)c1cccnc1N1CCC[C@@H](c2ccn(CCO)n2)C1 ZINC000426545257 257247161 /nfs/dbraw/zinc/24/71/61/257247161.db2.gz ZCXPZDYVXRGQOE-GFCCVEGCSA-N 0 0 315.377 0.753 50 0 DCAARN COc1ncc(C(=O)NCCCc2nnc3ccccn32)cn1 ZINC000426489739 257248655 /nfs/dbraw/zinc/24/86/55/257248655.db2.gz YQEUHXHSTMDEBD-UHFFFAOYSA-N 0 0 312.333 0.891 50 0 DCAARN CCO[C@H]1COC[C@@H]1NC(=O)CSCc1nc(C)no1 ZINC000426491382 257248670 /nfs/dbraw/zinc/24/86/70/257248670.db2.gz HDJRMNMVKJDDII-UWVGGRQHSA-N 0 0 301.368 0.531 50 0 DCAARN Nc1cnc(-c2ccc(C(=O)N[C@H]3CCCNC3=O)cc2)cn1 ZINC000426424379 257250073 /nfs/dbraw/zinc/25/00/73/257250073.db2.gz QMSVWSHPCHZFBQ-LBPRGKRZSA-N 0 0 311.345 0.734 50 0 DCAARN Cc1nnc(CNC(=O)N2CCN(C(=O)c3ccco3)CC2)o1 ZINC000426405232 257251494 /nfs/dbraw/zinc/25/14/94/257251494.db2.gz ZHKMINVRFBWTBE-UHFFFAOYSA-N 0 0 319.321 0.639 50 0 DCAARN CCOCC(=O)N1CCC(C(=O)N(C)CCc2ncon2)CC1 ZINC000426387274 257252202 /nfs/dbraw/zinc/25/22/02/257252202.db2.gz LQAUBOXCHBBSDS-UHFFFAOYSA-N 0 0 324.381 0.346 50 0 DCAARN NS(=O)(=O)C[C@H]1CCN(C(=O)NCc2ccc(F)cc2)C1 ZINC000426382860 257252597 /nfs/dbraw/zinc/25/25/97/257252597.db2.gz CHASBVQEKYSWJZ-NSHDSACASA-N 0 0 315.370 0.646 50 0 DCAARN Cc1[nH]nc(C(=O)N2CCO[C@@H](C(=O)N(C)C)C2)c1Cl ZINC000426361063 257253114 /nfs/dbraw/zinc/25/31/14/257253114.db2.gz DCZHHCMPCPNCAB-MRVPVSSYSA-N 0 0 300.746 0.301 50 0 DCAARN C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C ZINC000352741235 257260659 /nfs/dbraw/zinc/26/06/59/257260659.db2.gz DEWMYXWHDUHWIK-SDDRHHMPSA-N 0 0 316.442 0.811 50 0 DCAARN C[C@@H](Cc1ccco1)NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000071823884 184855318 /nfs/dbraw/zinc/85/53/18/184855318.db2.gz UKWCVBSEWHFENQ-JTQLQIEISA-N 0 0 305.338 0.320 50 0 DCAARN CS(=O)(=O)NCCOC(=O)c1cccc2c1OCCO2 ZINC000071886046 184888514 /nfs/dbraw/zinc/88/85/14/184888514.db2.gz LOSHOLPLHVBDRJ-UHFFFAOYSA-N 0 0 301.320 0.164 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1nc(-c2ccsc2)no1 ZINC000071892901 184891071 /nfs/dbraw/zinc/89/10/71/184891071.db2.gz DHTBVOVQJHLWFP-ZJUUUORDSA-N 0 0 309.347 0.906 50 0 DCAARN CO[C@]12CCN(C(=O)c3cn(C)c(C)cc3=O)[C@H]1C[C@@H](O)CC2 ZINC000299766926 533383231 /nfs/dbraw/zinc/38/32/31/533383231.db2.gz DJEPOTHBBWBREN-YLQAJVPDSA-N 0 0 320.389 0.838 50 0 DCAARN C[C@H]1OCCN(Cc2ccc(-n3ccnc3)cc2)[C@@H]1C(N)=O ZINC000284615174 131097958 /nfs/dbraw/zinc/09/79/58/131097958.db2.gz MLZXQTSGDOTDNC-DOMZBBRYSA-N 0 0 300.362 0.947 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)Nc2ccn3ccnc3c2)CC1 ZINC000290772653 131515659 /nfs/dbraw/zinc/51/56/59/131515659.db2.gz SLAKMEMCJDBJIF-UHFFFAOYSA-N 0 0 323.378 0.443 50 0 DCAARN Nc1nc(Cl)cc(N2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000024056587 134659808 /nfs/dbraw/zinc/65/98/08/134659808.db2.gz WUOUZSFUSFVRIP-UHFFFAOYSA-N 0 0 324.816 0.457 50 0 DCAARN COC(=O)CCCNC(=O)c1ccc(N2CCOCC2)nc1 ZINC000032879661 134683566 /nfs/dbraw/zinc/68/35/66/134683566.db2.gz LSKGCHJMEWESMM-UHFFFAOYSA-N 0 0 307.350 0.601 50 0 DCAARN CCNC(=O)CNC(=O)CN1CCN(c2ccccc2)CC1 ZINC000057355055 134782713 /nfs/dbraw/zinc/78/27/13/134782713.db2.gz NLTBJRBPDVELER-UHFFFAOYSA-N 0 0 304.394 0.061 50 0 DCAARN COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CCC[C@H]1C[NH3+] ZINC000253415963 292037715 /nfs/dbraw/zinc/03/77/15/292037715.db2.gz GGBVVEZHKHQVQN-YUMQZZPRSA-N 0 0 319.408 0.335 50 0 DCAARN C[C@H](Sc1nnnn1C)C(=O)Nc1sccc1C(N)=O ZINC000008319527 395684441 /nfs/dbraw/zinc/68/44/41/395684441.db2.gz PQYBJCFKYUOTLU-YFKPBYRVSA-N 0 0 312.380 0.490 50 0 DCAARN NC(=O)C1CCN(C(=O)CCn2c3ccccc3oc2=O)CC1 ZINC000008390940 395684529 /nfs/dbraw/zinc/68/45/29/395684529.db2.gz OGWRBOBQNKAYKC-UHFFFAOYSA-N 0 0 317.345 0.709 50 0 DCAARN O=C(COC(=O)Cn1cc(C(F)(F)F)ccc1=O)NC1CC1 ZINC000009454895 395685365 /nfs/dbraw/zinc/68/53/65/395685365.db2.gz ZFLKJMKRZVXYHI-UHFFFAOYSA-N 0 0 318.251 0.689 50 0 DCAARN CCNC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O ZINC000009613627 395685387 /nfs/dbraw/zinc/68/53/87/395685387.db2.gz MWFNGYVREANZKL-CYBMUJFWSA-N 0 0 314.345 0.767 50 0 DCAARN O=C(Cn1cnc2cc(Cl)ccc2c1=O)N1CCNC1=O ZINC000009750420 395685512 /nfs/dbraw/zinc/68/55/12/395685512.db2.gz BLPUDMKUGKYRDF-UHFFFAOYSA-N 0 0 306.709 0.602 50 0 DCAARN Cc1c(Cl)cccc1NC(=O)C(=O)NN1CCN(C)CC1 ZINC000009994948 395685738 /nfs/dbraw/zinc/68/57/38/395685738.db2.gz QFIMXRGNHUGAFY-UHFFFAOYSA-N 0 0 310.785 0.866 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cn2cccn2)cc1 ZINC000010230771 395685903 /nfs/dbraw/zinc/68/59/03/395685903.db2.gz QIIKOLFGIOEMKS-CQSZACIVSA-N 0 0 319.386 0.848 50 0 DCAARN COc1cccc(OC)c1C(=O)NCCn1ncccc1=O ZINC000011856296 395686814 /nfs/dbraw/zinc/68/68/14/395686814.db2.gz FXTUUAAAUVJPKM-UHFFFAOYSA-N 0 0 303.318 0.691 50 0 DCAARN COCCNS(=O)(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2 ZINC000012187638 395687226 /nfs/dbraw/zinc/68/72/26/395687226.db2.gz LGMRPYZLQXHYGY-UHFFFAOYSA-N 0 0 314.363 0.721 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cn2cc(Cl)ccc2n1 ZINC000012324075 395687344 /nfs/dbraw/zinc/68/73/44/395687344.db2.gz CLDAJOSWOFCDIW-VIFPVBQESA-N 0 0 313.766 0.905 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)NCCNC(=O)c1ccco1 ZINC000012737600 395687966 /nfs/dbraw/zinc/68/79/66/395687966.db2.gz ZPSTVIFOZQXEFA-UHFFFAOYSA-N 0 0 313.335 0.593 50 0 DCAARN CN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)Cc1ccccc1 ZINC000012780336 395687993 /nfs/dbraw/zinc/68/79/93/395687993.db2.gz RUZKDSGDBBFTLE-HNNXBMFYSA-N 0 0 310.419 0.812 50 0 DCAARN O=C1CN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)CCN1 ZINC000012875849 395688153 /nfs/dbraw/zinc/68/81/53/395688153.db2.gz UNLZBCJIGFPMQN-GOEBONIOSA-N 0 0 304.390 0.873 50 0 DCAARN CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nnnn1C ZINC000012983030 395688244 /nfs/dbraw/zinc/68/82/44/395688244.db2.gz YRJNJHOKIUBJSR-SECBINFHSA-N 0 0 313.383 0.246 50 0 DCAARN CCCNC(=O)N[C@H]1[C@@H](NC(=O)NCCC)N(C)C(=O)N1C ZINC000013116356 395688398 /nfs/dbraw/zinc/68/83/98/395688398.db2.gz BJIJZMUZMSFHAB-AOOOYVTPSA-N 0 0 314.390 0.054 50 0 DCAARN CCn1nnc2c1ncn(CC(=O)N1CCc3ccccc31)c2=O ZINC000013531345 395688594 /nfs/dbraw/zinc/68/85/94/395688594.db2.gz SOHUFYSJDFLDCF-UHFFFAOYSA-N 0 0 324.344 0.597 50 0 DCAARN CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)COC)ccc1OC ZINC000013677729 395688764 /nfs/dbraw/zinc/68/87/64/395688764.db2.gz MAJPHZWXLDZWEU-VIFPVBQESA-N 0 0 316.379 0.368 50 0 DCAARN CC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2CCN(C)C ZINC000013655445 395688874 /nfs/dbraw/zinc/68/88/74/395688874.db2.gz ZBZQBSUIUYXVGC-UHFFFAOYSA-N 0 0 309.391 0.834 50 0 DCAARN Cc1cnc2n(c1=O)[C@H](CC(=O)N1CCN(C)CC1)CS2 ZINC000014031915 395689080 /nfs/dbraw/zinc/68/90/80/395689080.db2.gz ZLONOIDHOJSGKX-LLVKDONJSA-N 0 0 308.407 0.363 50 0 DCAARN C[C@@H]1CN(C(=O)C[C@H]2CSc3nccc(=O)n32)C[C@@H](C)O1 ZINC000014030939 395689118 /nfs/dbraw/zinc/68/91/18/395689118.db2.gz CEHKDKGCFYOZBU-MXWKQRLJSA-N 0 0 309.391 0.916 50 0 DCAARN C[C@@H]1CCCN(C(=O)Cn2nnn(-c3cccs3)c2=O)C1 ZINC000014075990 395689125 /nfs/dbraw/zinc/68/91/25/395689125.db2.gz QHJWQWZYRBICBL-SNVBAGLBSA-N 0 0 307.379 0.749 50 0 DCAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCC(=O)CC1 ZINC000014138970 395689174 /nfs/dbraw/zinc/68/91/74/395689174.db2.gz RKVJTAYUNBOJPQ-UHFFFAOYSA-N 0 0 321.377 0.823 50 0 DCAARN c1ccn2c(c1)nnc2C1CCN(c2ccc3nnnn3n2)CC1 ZINC000014250501 395689509 /nfs/dbraw/zinc/68/95/09/395689509.db2.gz KPVBSOCDFWWIKL-UHFFFAOYSA-N 0 0 321.348 0.946 50 0 DCAARN O=C(N[C@H]1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2C1)c1cccs1 ZINC000014744748 395689684 /nfs/dbraw/zinc/68/96/84/395689684.db2.gz OUVYSOBITYRCMK-DCAQKATOSA-N 0 0 319.386 0.452 50 0 DCAARN O=C(CN1CSCC1=O)NC[C@@H]1COc2ccccc2O1 ZINC000015325157 395689853 /nfs/dbraw/zinc/68/98/53/395689853.db2.gz PGMPFCTYWXRGOP-SNVBAGLBSA-N 0 0 308.359 0.476 50 0 DCAARN CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCOC ZINC000019925676 395691202 /nfs/dbraw/zinc/69/12/02/395691202.db2.gz AEGADAHDRKDLEL-CYBMUJFWSA-N 0 0 314.407 0.815 50 0 DCAARN CCOCCNS(=O)(=O)c1ccc([C@H]2CNC(=O)C2)cc1 ZINC000020169137 395691223 /nfs/dbraw/zinc/69/12/23/395691223.db2.gz ZORPPEHICDPRPL-GFCCVEGCSA-N 0 0 312.391 0.605 50 0 DCAARN COCCNC(=O)c1c(C)oc2ncnc(N3CCOCC3)c21 ZINC000020942205 395691543 /nfs/dbraw/zinc/69/15/43/395691543.db2.gz AFQKCDVDFFRDPK-UHFFFAOYSA-N 0 0 320.349 0.744 50 0 DCAARN Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCC1CC1 ZINC000022972104 395692201 /nfs/dbraw/zinc/69/22/01/395692201.db2.gz RGAJICPGQMOVNN-UHFFFAOYSA-N 0 0 320.393 0.374 50 0 DCAARN O=C(NC(=O)N1CCOCC1)c1nnc(-c2ccccc2)o1 ZINC000000107607 395679841 /nfs/dbraw/zinc/67/98/41/395679841.db2.gz DKYGCPRHNTXHGM-UHFFFAOYSA-N 0 0 302.290 0.919 50 0 DCAARN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(N)=O)CC1 ZINC000000384647 395680298 /nfs/dbraw/zinc/68/02/98/395680298.db2.gz BIJZEEWDNNKSMK-UHFFFAOYSA-N 0 0 316.354 0.720 50 0 DCAARN [NH3+][C@H](Cc1ccc(O)c(I)c1)C(=O)[O-] ZINC000000391106 395680314 /nfs/dbraw/zinc/68/03/14/395680314.db2.gz UQTZMGFTRHFAAM-SSDOTTSWSA-N 0 0 307.087 0.951 50 0 in-vitro DCAARN CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 ZINC000000368032 395680343 /nfs/dbraw/zinc/68/03/43/395680343.db2.gz LRIXBOOSBCCRSK-UHFFFAOYSA-N 0 0 313.361 0.548 50 0 DCAARN COc1ccccc1O[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000001144778 395680624 /nfs/dbraw/zinc/68/06/24/395680624.db2.gz JPTZUPQZBMEEBB-GHMZBOCLSA-N 0 0 313.375 0.766 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000001053600 395680702 /nfs/dbraw/zinc/68/07/02/395680702.db2.gz IOHZHCQOCBROFI-UHFFFAOYSA-N 0 0 304.318 0.682 50 0 DCAARN CCNC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000002093770 395681223 /nfs/dbraw/zinc/68/12/23/395681223.db2.gz UJSWBWXQCVHHCG-UHFFFAOYSA-N 0 0 302.352 0.118 50 0 DCAARN CC(=O)NCC(=O)O[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000002659661 395681828 /nfs/dbraw/zinc/68/18/28/395681828.db2.gz CANNLWZLGTXBBG-JTQLQIEISA-N 0 0 306.318 0.896 50 0 DCAARN COCCNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000002813983 395681869 /nfs/dbraw/zinc/68/18/69/395681869.db2.gz OBSUGUBVCNXAJT-UHFFFAOYSA-N 0 0 300.380 0.378 50 0 DCAARN COCCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000002838489 395681874 /nfs/dbraw/zinc/68/18/74/395681874.db2.gz BZMMNOHNPYQXGI-UHFFFAOYSA-N 0 0 300.380 0.849 50 0 DCAARN O=C(NC[C@@H]1COc2ccccc2O1)C(=O)N1CCCCC1 ZINC000002810367 395681883 /nfs/dbraw/zinc/68/18/83/395681883.db2.gz IEACMFRRDYPEAJ-GFCCVEGCSA-N 0 0 304.346 0.955 50 0 DCAARN Cc1cc(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)nn1C ZINC000002800669 395681905 /nfs/dbraw/zinc/68/19/05/395681905.db2.gz ZOHVLVHYKDBWKM-NSHDSACASA-N 0 0 314.411 0.016 50 0 DCAARN COCCCNC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000002961400 395682123 /nfs/dbraw/zinc/68/21/23/395682123.db2.gz KJPADDYAYDOYTJ-UHFFFAOYSA-N 0 0 314.407 0.914 50 0 DCAARN Cc1ccc(S(=O)(=O)NCC(=O)O[C@@H]2CCOC2=O)cc1 ZINC000003233073 395682408 /nfs/dbraw/zinc/68/24/08/395682408.db2.gz FXHQSACKEFQWDT-LLVKDONJSA-N 0 0 313.331 0.132 50 0 DCAARN COc1cccc(NC(=O)CN(C)CC(=O)N2CCNC2=O)c1 ZINC000008065903 395683845 /nfs/dbraw/zinc/68/38/45/395683845.db2.gz QGQVKEGWFOIQGW-UHFFFAOYSA-N 0 0 320.349 0.117 50 0 DCAARN CC(C)NC(=O)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000008152488 395684046 /nfs/dbraw/zinc/68/40/46/395684046.db2.gz RMWVAOLEHMSXLJ-UHFFFAOYSA-N 0 0 302.334 0.037 50 0 biogenic DCAARN CC(=O)Nc1nc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cs1 ZINC000030719622 395703853 /nfs/dbraw/zinc/70/38/53/395703853.db2.gz DYTJGIDORPEGET-LLVKDONJSA-N 0 0 317.392 0.409 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000031612078 395707342 /nfs/dbraw/zinc/70/73/42/395707342.db2.gz BBCQQEKHJFNFQL-ZYHUDNBSSA-N 0 0 315.778 0.947 50 0 DCAARN CC(C)[C@@H](C(=O)NC(N)=O)n1nnc(-c2cccc(F)c2)n1 ZINC000031734233 395707943 /nfs/dbraw/zinc/70/79/43/395707943.db2.gz ISUNNSAXVZCBNT-JTQLQIEISA-N 0 0 306.301 0.871 50 0 DCAARN Cn1c(=O)c2ccccc2nc1C(=O)NCCCn1ccnc1 ZINC000031806823 395708171 /nfs/dbraw/zinc/70/81/71/395708171.db2.gz MSBRYNUBTGNTIS-UHFFFAOYSA-N 0 0 311.345 0.950 50 0 DCAARN COCCCNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000032123763 395709332 /nfs/dbraw/zinc/70/93/32/395709332.db2.gz JQUNYMDCZQTAIL-LBPRGKRZSA-N 0 0 305.334 0.929 50 0 biogenic DCAARN O=C([C@H]1CCCN(c2ccc3nncn3n2)C1)N1CCOCC1 ZINC000032106556 395709546 /nfs/dbraw/zinc/70/95/46/395709546.db2.gz QHUWDEPYGWCDRS-LBPRGKRZSA-N 0 0 316.365 0.200 50 0 DCAARN CCc1nnc([C@H]2CN(CCCS(C)(=O)=O)CCO2)[nH]1 ZINC000089289837 395709967 /nfs/dbraw/zinc/70/99/67/395709967.db2.gz FXKMUOHBPVYRCZ-SNVBAGLBSA-N 0 0 302.400 0.175 50 0 DCAARN Cc1onc2c1c(C(=O)N1CCN(C)C[C@@H]1C)nn(C)c2=O ZINC000089567335 395713057 /nfs/dbraw/zinc/71/30/57/395713057.db2.gz HQICRKJXBMKORQ-QMMMGPOBSA-N 0 0 305.338 0.006 50 0 DCAARN COc1ccc(C(=O)N2CCC2)cc1S(=O)(=O)NC1CC1 ZINC000032780930 395713317 /nfs/dbraw/zinc/71/33/17/395713317.db2.gz QLRHYOKHQIIJMW-UHFFFAOYSA-N 0 0 310.375 0.982 50 0 DCAARN O=C(CN1CCC[C@H]1C(=O)NCc1ccco1)N1CCOCC1 ZINC000032804084 395713618 /nfs/dbraw/zinc/71/36/18/395713618.db2.gz YUWBQSXPBFBIJT-AWEZNQCLSA-N 0 0 321.377 0.219 50 0 DCAARN Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NC(C)C ZINC000032879043 395714120 /nfs/dbraw/zinc/71/41/20/395714120.db2.gz TVPFOLMUMOHKDC-UHFFFAOYSA-N 0 0 308.382 0.372 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCc2ccccc2C1 ZINC000032870348 395714266 /nfs/dbraw/zinc/71/42/66/395714266.db2.gz LUSNVEKEHLZWPL-UHFFFAOYSA-N 0 0 313.357 0.889 50 0 DCAARN Cc1ccccc1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000032935350 395714711 /nfs/dbraw/zinc/71/47/11/395714711.db2.gz PUWMWZNVJLJPFB-UHFFFAOYSA-N 0 0 315.373 0.558 50 0 DCAARN O=C1CCCN1CCN1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000089818767 395715437 /nfs/dbraw/zinc/71/54/37/395715437.db2.gz CHIDPUWZXUMZMQ-OLZOCXBDSA-N 0 0 300.424 0.650 50 0 DCAARN O=C(Cn1nnc2ccccc2c1=O)N1CCOC[C@@H]1C1CC1 ZINC000089866528 395715922 /nfs/dbraw/zinc/71/59/22/395715922.db2.gz LWEGLPIVHPQBTO-CQSZACIVSA-N 0 0 314.345 0.429 50 0 DCAARN C[C@@H](CNC(=O)c1ccc(-n2cncn2)cc1)N1CCOCC1 ZINC000033081744 395716204 /nfs/dbraw/zinc/71/62/04/395716204.db2.gz OEYAVYDKJUAMOE-ZDUSSCGKSA-N 0 0 315.377 0.718 50 0 DCAARN COC[C@@H](C)N(C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000089901578 395716403 /nfs/dbraw/zinc/71/64/03/395716403.db2.gz YHSDBBSIQQWNRC-SNVBAGLBSA-N 0 0 315.395 0.510 50 0 DCAARN C[C@@H](CNC(=O)NCc1ccnc(N(C)C)c1)N1CCOCC1 ZINC000089901124 395716618 /nfs/dbraw/zinc/71/66/18/395716618.db2.gz RKTZODDDYIOCOU-ZDUSSCGKSA-N 0 0 321.425 0.668 50 0 DCAARN C[C@H]1CN(C)CCN1C(=O)CCn1ncc(=O)c2ccccc21 ZINC000089938003 395717333 /nfs/dbraw/zinc/71/73/33/395717333.db2.gz FOTRSORWGFBTSA-ZDUSSCGKSA-N 0 0 314.389 0.949 50 0 DCAARN Cn1c(=O)/c(=C/c2ccccc2)[nH]c(=O)/c1=C/c1ccccc1 ZINC000033954355 395717740 /nfs/dbraw/zinc/71/77/40/395717740.db2.gz DILBTCUXPAXMSM-MCOFMCJXSA-N 0 0 304.349 0.731 50 0 biogenic,in-vitro DCAARN COC[C@H](C)NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O ZINC000035598205 395720799 /nfs/dbraw/zinc/72/07/99/395720799.db2.gz JLGIZOBHSWTTLM-GXFFZTMASA-N 0 0 319.361 0.668 50 0 DCAARN CCCC(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1 ZINC000035655462 395721291 /nfs/dbraw/zinc/72/12/91/395721291.db2.gz CPZSDJKRIAMCOV-UHFFFAOYSA-N 0 0 311.426 0.474 50 0 DCAARN NC(=O)Cn1c2ccccc2c(=O)n(-c2ccc(F)cc2)c1=O ZINC000036008617 395721881 /nfs/dbraw/zinc/72/18/81/395721881.db2.gz VCPPAXJXYCTAFD-UHFFFAOYSA-N 0 0 313.288 0.777 50 0 DCAARN NC(=O)c1cccnc1N1CCN(C(=O)c2ccoc2)CC1 ZINC000026715848 395694557 /nfs/dbraw/zinc/69/45/57/395694557.db2.gz GDJQHUZHPGNZBW-UHFFFAOYSA-N 0 0 300.318 0.736 50 0 DCAARN CC(=O)N1CCCN(S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000027965805 395695557 /nfs/dbraw/zinc/69/55/57/395695557.db2.gz FSOAAIBGAXETRN-UHFFFAOYSA-N 0 0 320.802 0.316 50 0 DCAARN Cc1nn(CC(=O)NCCN2CCOCC2)c(C)c1Cl ZINC000027981957 395695579 /nfs/dbraw/zinc/69/55/79/395695579.db2.gz NQAFVGFJODZJHU-UHFFFAOYSA-N 0 0 300.790 0.602 50 0 DCAARN C[C@@H]1CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC000028223364 395695853 /nfs/dbraw/zinc/69/58/53/395695853.db2.gz DLLCSBPBRHDOFU-UTUOFQBUSA-N 0 0 304.412 0.294 50 0 DCAARN CCCNC(=O)CN1CCN(C[C@H](O)c2cccs2)CC1 ZINC000028914631 395696442 /nfs/dbraw/zinc/69/64/42/395696442.db2.gz NFGPVBLABCHCNX-ZDUSSCGKSA-N 0 0 311.451 0.925 50 0 DCAARN CCNC(=O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000029529407 395698527 /nfs/dbraw/zinc/69/85/27/395698527.db2.gz GATHMPBIKRIBCF-UHFFFAOYSA-N 0 0 317.315 0.754 50 0 DCAARN Cc1cc2ccccc2n1CC(=O)NCCNS(C)(=O)=O ZINC000029682481 395699572 /nfs/dbraw/zinc/69/95/72/395699572.db2.gz RHSCREOBQCVOBB-UHFFFAOYSA-N 0 0 309.391 0.615 50 0 DCAARN COCCn1nc(C(=O)N2CCOc3ccccc32)ccc1=O ZINC000040516655 395734301 /nfs/dbraw/zinc/73/43/01/395734301.db2.gz LLWFKNUAZPSRAD-UHFFFAOYSA-N 0 0 315.329 0.929 50 0 DCAARN CN1CCN(C(=O)COCc2nc(-c3ccncc3)no2)CC1 ZINC000096182044 395747455 /nfs/dbraw/zinc/74/74/55/395747455.db2.gz RVZGEWKVYFFWAQ-UHFFFAOYSA-N 0 0 317.349 0.422 50 0 DCAARN CN1C[C@@H](C(=O)N2CCC(Oc3cccnn3)CC2)CC1=O ZINC000096119358 395745589 /nfs/dbraw/zinc/74/55/89/395745589.db2.gz SGYJZAHWBPOBBM-NSHDSACASA-N 0 0 304.350 0.325 50 0 DCAARN CO[C@@](C)(CNC(=O)CN1C(=O)CCC1=O)c1ccccc1F ZINC000096123460 395745657 /nfs/dbraw/zinc/74/56/57/395745657.db2.gz ZNQFLKMTVHZEJP-INIZCTEOSA-N 0 0 322.336 0.953 50 0 DCAARN COCc1ccc(C(=O)NCCNC(=O)c2cccnc2)o1 ZINC000096137668 395745734 /nfs/dbraw/zinc/74/57/34/395745734.db2.gz MONLUPCFVSIZTN-UHFFFAOYSA-N 0 0 303.318 0.981 50 0 DCAARN Cn1c(=O)c(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)cc2c1CCCC2 ZINC000096138154 395745976 /nfs/dbraw/zinc/74/59/76/395745976.db2.gz TXYAXAMUGIXVTR-WMLDXEAASA-N 0 0 320.389 0.222 50 0 DCAARN O=C(Cc1ccc(-n2cccn2)cc1)NC[C@]1(O)CCOC1 ZINC000096484669 395753742 /nfs/dbraw/zinc/75/37/42/395753742.db2.gz XOEHPQPOWNHMPX-MRXNPFEDSA-N 0 0 301.346 0.682 50 0 DCAARN CN(C)c1ncc(CNC(=O)N2CCOC[C@H]2C2CC2)n1C ZINC000096485528 395754006 /nfs/dbraw/zinc/75/40/06/395754006.db2.gz KSOFRGVNZRMYMT-ZDUSSCGKSA-N 0 0 307.398 0.807 50 0 DCAARN COc1cccc(CNC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000044441108 395756233 /nfs/dbraw/zinc/75/62/33/395756233.db2.gz UTMOOZCKKADZRV-UHFFFAOYSA-N 0 0 303.318 0.239 50 0 DCAARN CC/C=C(\C)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000097315684 395757005 /nfs/dbraw/zinc/75/70/05/395757005.db2.gz OHRGUEJYIHEMGF-JVDKPVQESA-N 0 0 323.437 0.734 50 0 DCAARN CCCN(CCOC)C(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000097301329 395757185 /nfs/dbraw/zinc/75/71/85/395757185.db2.gz XXEQEJVOYHMWAK-UHFFFAOYSA-N 0 0 318.370 0.972 50 0 DCAARN CN1CCO[C@@H](C(=O)NCCc2nc(-c3ccccc3)n[nH]2)C1 ZINC000097379623 395757674 /nfs/dbraw/zinc/75/76/74/395757674.db2.gz TYZPAGQFOIAURP-CYBMUJFWSA-N 0 0 315.377 0.461 50 0 DCAARN CC(C)=CCN1CCN(C(=O)c2ccc(CO)o2)C[C@H](O)C1 ZINC000097475102 395757980 /nfs/dbraw/zinc/75/79/80/395757980.db2.gz ALXKIOFNYDLNEY-CYBMUJFWSA-N 0 0 308.378 0.857 50 0 DCAARN Cc1ccc(C(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)n1C ZINC000299775762 292062982 /nfs/dbraw/zinc/06/29/82/292062982.db2.gz JYLWLXVVSPJTKA-KBPBESRZSA-N 0 0 301.350 0.911 50 0 DCAARN Cc1cccn2c(CC(=O)N[C@H]3C=CS(=O)(=O)C3)cnc12 ZINC000097505971 395758719 /nfs/dbraw/zinc/75/87/19/395758719.db2.gz TVOCHYQSXJZRCV-NSHDSACASA-N 0 0 305.359 0.612 50 0 DCAARN CCC(CC)C(=O)N1CCN(Cc2nnc(C)[nH]2)C[C@H](O)C1 ZINC000097694615 395759895 /nfs/dbraw/zinc/75/98/95/395759895.db2.gz HUYJFGMHXXEYBS-ZDUSSCGKSA-N 0 0 309.414 0.554 50 0 DCAARN O=C([O-])[C@@H]1C[NH2+]CCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000097773090 395760915 /nfs/dbraw/zinc/76/09/15/395760915.db2.gz HCJWNFNCTGCZAE-CQSZACIVSA-N 0 0 300.362 0.978 50 0 DCAARN CN(Cc1cc(-c2ccco2)on1)C(=O)C[C@H]1NC(=O)NC1=O ZINC000097915173 395761051 /nfs/dbraw/zinc/76/10/51/395761051.db2.gz TUJILYITSKDZIG-SECBINFHSA-N 0 0 318.289 0.491 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccc(-n2ccnc2)cc1 ZINC000097990088 395761283 /nfs/dbraw/zinc/76/12/83/395761283.db2.gz RGBDDWMVCYXGLK-LBPRGKRZSA-N 0 0 313.317 0.087 50 0 DCAARN O=C(/C=C\c1ccc(C(=O)NC2CC2)cc1)N1CCNC(=O)C1 ZINC000098005574 395761314 /nfs/dbraw/zinc/76/13/14/395761314.db2.gz DULCGWKFVKUACG-BAQGIRSFSA-N 0 0 313.357 0.550 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)OC[C@H]2C)c1 ZINC000045448780 395762973 /nfs/dbraw/zinc/76/29/73/395762973.db2.gz AAMZKXRLAHWSEP-MNOVXSKESA-N 0 0 312.391 0.844 50 0 DCAARN O=CN1CCN(c2c(=O)c(=O)c2NCc2ccccc2F)CC1 ZINC000101694965 395766567 /nfs/dbraw/zinc/76/65/67/395766567.db2.gz JBTCBWJGQJRJQF-UHFFFAOYSA-N 0 0 317.320 0.312 50 0 DCAARN O=CN1CCN(c2c(=O)c(=O)c2NCc2cccc(F)c2)CC1 ZINC000101704278 395767164 /nfs/dbraw/zinc/76/71/64/395767164.db2.gz MKLQGHOWEFOERB-UHFFFAOYSA-N 0 0 317.320 0.312 50 0 DCAARN OCCN1CCN(Cc2nc(Cc3ccccc3)no2)CC1 ZINC000046055633 395770267 /nfs/dbraw/zinc/77/02/67/395770267.db2.gz LUASXRBELJSVOT-UHFFFAOYSA-N 0 0 302.378 0.770 50 0 DCAARN OCc1cn(CC2CCN(c3ncnc4nc[nH]c43)CC2)nn1 ZINC000048063488 395807108 /nfs/dbraw/zinc/80/71/08/395807108.db2.gz FTURRUAGLLYUJP-UHFFFAOYSA-N 0 0 314.353 0.353 50 0 DCAARN CC[C@H](C)NC(=O)c1cccc(CNC(=O)Cn2cnnn2)c1 ZINC000048366095 395814084 /nfs/dbraw/zinc/81/40/84/395814084.db2.gz XHKSDJQJCJIRPP-NSHDSACASA-N 0 0 316.365 0.518 50 0 DCAARN COc1ccc(O[C@@H]2CCN(C(=O)c3cnc(C)cn3)C2)nn1 ZINC000225439921 395859664 /nfs/dbraw/zinc/85/96/64/395859664.db2.gz SMCRZQHOJFWWDD-LLVKDONJSA-N 0 0 315.333 0.877 50 0 DCAARN C[C@@H](C(N)=O)N1CCN(C(=O)c2c(F)ccc(F)c2F)CC1 ZINC000195567440 395831425 /nfs/dbraw/zinc/83/14/25/395831425.db2.gz FEXYFOLHKKQAEV-QMMMGPOBSA-N 0 0 315.295 0.736 50 0 DCAARN Cc1ccc(O[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C2)nn1 ZINC000225421239 395859797 /nfs/dbraw/zinc/85/97/97/395859797.db2.gz YOBOQVLRLISAEE-GFCCVEGCSA-N 0 0 314.345 0.777 50 0 DCAARN CNC(=O)c1cc(NC(=O)NC[C@@H]2COCCO2)ccc1F ZINC000050085031 395836007 /nfs/dbraw/zinc/83/60/07/395836007.db2.gz UTSDSLRRJYMDMH-SNVBAGLBSA-N 0 0 311.313 0.722 50 0 DCAARN COCCN1C[C@@H](NC(=O)Cc2cccc(F)c2F)CC1=O ZINC000218991508 395843398 /nfs/dbraw/zinc/84/33/98/395843398.db2.gz FJHIPUUDOCIPFH-NSHDSACASA-N 0 0 312.316 0.871 50 0 DCAARN Nc1nc(=O)cc(N2CCN(C(=O)CC3CCCC3)CC2)[nH]1 ZINC000218918986 395843528 /nfs/dbraw/zinc/84/35/28/395843528.db2.gz IWRLPWODMUBJDU-UHFFFAOYSA-N 0 0 305.382 0.581 50 0 DCAARN CS(=O)(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1Nc1nc2ccccc2o1 ZINC000219531284 395845516 /nfs/dbraw/zinc/84/55/16/395845516.db2.gz CSSCZJILYZZRRI-GHORINQJSA-N 0 0 323.374 0.945 50 0 DCAARN O=C(c1ccc2nccn2c1)N1CCN(Cc2nc[nH]n2)CC1 ZINC000220005494 395846995 /nfs/dbraw/zinc/84/69/95/395846995.db2.gz QFCFXMCEOZQSJR-UHFFFAOYSA-N 0 0 311.349 0.410 50 0 DCAARN CCO[C@H]1CN(C(=O)c2ccc(-c3nnn(C)n3)cc2)C[C@@H]1O ZINC000220348884 395847697 /nfs/dbraw/zinc/84/76/97/395847697.db2.gz GVIAETSGHPZMSF-STQMWFEESA-N 0 0 317.349 0.099 50 0 DCAARN Cc1cn(CC(=O)N(C)CCC[C@H]2CCCO2)c(=O)[nH]c1=O ZINC000220058706 395847843 /nfs/dbraw/zinc/84/78/43/395847843.db2.gz VTUSBKVPRLNVFB-LBPRGKRZSA-N 0 0 309.366 0.263 50 0 DCAARN NC(=O)C1CCN(CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000051186035 395848403 /nfs/dbraw/zinc/84/84/03/395848403.db2.gz CXLYYZBKPOUDKI-UHFFFAOYSA-N 0 0 323.368 0.518 50 0 DCAARN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC(C(N)=O)C(N)=O)c1 ZINC000051348740 395850000 /nfs/dbraw/zinc/85/00/00/395850000.db2.gz LVWYTCIFIMWMDJ-JTQLQIEISA-N 0 0 321.377 0.341 50 0 DCAARN CCOc1ncccc1C(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000221357828 395850113 /nfs/dbraw/zinc/85/01/13/395850113.db2.gz XXVPZWJKIOOWKR-UHFFFAOYSA-N 0 0 316.365 0.556 50 0 DCAARN O=C(Cc1c[nH]cn1)N[C@@H]1COCC[C@@H]1OCc1cscn1 ZINC000222239651 395851810 /nfs/dbraw/zinc/85/18/10/395851810.db2.gz XAZRXCXHGPBLCN-OLZOCXBDSA-N 0 0 322.390 0.899 50 0 DCAARN CCNC(=O)[C@@H]1CCN(C(=O)c2nc3ccccc3[nH]c2=O)C1 ZINC000223325750 395854905 /nfs/dbraw/zinc/85/49/05/395854905.db2.gz IGTWFASNWIJMEF-SNVBAGLBSA-N 0 0 314.345 0.521 50 0 DCAARN O=C(CCc1nc2cc(F)ccc2[nH]1)N[C@@H]1CCOC[C@H]1O ZINC000223618527 395855539 /nfs/dbraw/zinc/85/55/39/395855539.db2.gz CYPYRVJWBHHPBM-DGCLKSJQSA-N 0 0 307.325 0.901 50 0 DCAARN CC[C@@H](O)c1cc2n(n1)CCN(CC(=O)Nc1cnn(C)c1)C2 ZINC000223829221 395856572 /nfs/dbraw/zinc/85/65/72/395856572.db2.gz XGXXLSBBABMXPO-CQSZACIVSA-N 0 0 318.381 0.514 50 0 DCAARN CC(=O)NCC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 ZINC000223875899 395857008 /nfs/dbraw/zinc/85/70/08/395857008.db2.gz RGDFOECLUBLJDD-HUUCEWRRSA-N 0 0 306.362 0.613 50 0 DCAARN NC(=O)CN1CCC(NC(=O)CSc2ccncc2)CC1 ZINC000047471172 395793923 /nfs/dbraw/zinc/79/39/23/395793923.db2.gz OKXSRUAWAFKFMK-UHFFFAOYSA-N 0 0 308.407 0.240 50 0 DCAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CCC(=O)NC1 ZINC000047700561 395800472 /nfs/dbraw/zinc/80/04/72/395800472.db2.gz FWNDHLFVFIAAOK-VXGBXAGGSA-N 0 0 304.346 0.811 50 0 DCAARN C[C@H](CC(=O)N1C[C@H]2OCCN(C)[C@H]2C1)NC(=O)C1CCCC1 ZINC000124058500 395899666 /nfs/dbraw/zinc/89/96/66/395899666.db2.gz CBEVRCZGVPMDHQ-VHDGCEQUSA-N 0 0 323.437 0.613 50 0 DCAARN C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCN(c2nccs2)CC1 ZINC000054620890 395904119 /nfs/dbraw/zinc/90/41/19/395904119.db2.gz XOLMBBSQYNTWHH-QWHCGFSZSA-N 0 0 324.450 0.949 50 0 DCAARN CCN(CC)S(=O)(=O)N1CCN(C[C@@H]2CCCCO2)CC1 ZINC000054993069 395908905 /nfs/dbraw/zinc/90/89/05/395908905.db2.gz UGZPXOIGVCNMRT-AWEZNQCLSA-N 0 0 319.471 0.760 50 0 DCAARN COc1ccc(CCC(=O)NCC(=O)N(C)C)c(OC)c1OC ZINC000055015602 395909750 /nfs/dbraw/zinc/90/97/50/395909750.db2.gz AUMRESAVBDJFPI-UHFFFAOYSA-N 0 0 324.377 0.849 50 0 DCAARN CCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F ZINC000055255005 395914693 /nfs/dbraw/zinc/91/46/93/395914693.db2.gz RUEUZDJBOKMIMI-CQSZACIVSA-N 0 0 307.369 0.995 50 0 DCAARN COCCN(Cc1cnn(C)c1)C(=O)CSc1n[nH]c(C)n1 ZINC000055576278 395920200 /nfs/dbraw/zinc/92/02/00/395920200.db2.gz CEOLHNCREIBRMU-UHFFFAOYSA-N 0 0 324.410 0.614 50 0 DCAARN O=C(CN1CCCN(C(=O)c2ccco2)CC1)N1CCOCC1 ZINC000244796056 395925419 /nfs/dbraw/zinc/92/54/19/395925419.db2.gz RRYYSKZTBIPNQL-UHFFFAOYSA-N 0 0 321.377 0.286 50 0 DCAARN Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000244852599 395925428 /nfs/dbraw/zinc/92/54/28/395925428.db2.gz UVLSTTLWKKALNF-XWEPSHTISA-N 0 0 309.757 0.965 50 0 DCAARN CN(C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000244874733 395926052 /nfs/dbraw/zinc/92/60/52/395926052.db2.gz XGHIEWUOVSSUNG-KKUMJFAQSA-N 0 0 319.405 0.756 50 0 DCAARN CC[C@H](NS(=O)(=O)c1cccc2c1nnn2C)[C@H]1C[C@H](O)C1 ZINC000244874708 395926066 /nfs/dbraw/zinc/92/60/66/395926066.db2.gz XFYIPYDQDSPGJS-DCAQKATOSA-N 0 0 324.406 0.796 50 0 DCAARN CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cnc(C)nc2)C1 ZINC000244872868 395926229 /nfs/dbraw/zinc/92/62/29/395926229.db2.gz WFTFINFJUPWVRX-UMSPYCQHSA-N 0 0 316.365 0.565 50 0 DCAARN COc1cncc(O[C@@H]2CCCN(C(=O)[C@H]3CCOC3)C2)n1 ZINC000225499951 395861639 /nfs/dbraw/zinc/86/16/39/395861639.db2.gz RECMMEVHCMYMCI-NWDGAFQWSA-N 0 0 307.350 0.892 50 0 DCAARN NC(=O)[C@H](O)CNC(=O)Nc1nc(-c2ccccc2)ns1 ZINC000225552198 395861772 /nfs/dbraw/zinc/86/17/72/395861772.db2.gz FXIKYONFQYFHMI-MRVPVSSYSA-N 0 0 307.335 0.173 50 0 DCAARN Cn1cccc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000225764696 395863153 /nfs/dbraw/zinc/86/31/53/395863153.db2.gz IGBDXEYLVFFROH-AAEUAGOBSA-N 0 0 323.393 0.983 50 0 DCAARN Cc1noc(C)c1CC(=O)N[C@H]1CCc2nn(C)c(=O)cc2C1 ZINC000225789241 395863806 /nfs/dbraw/zinc/86/38/06/395863806.db2.gz MOHVRWOXHJSWIF-LBPRGKRZSA-N 0 0 316.361 0.601 50 0 DCAARN CCCNS(=O)(=O)c1ccc(OCC(=O)NC)c(F)c1 ZINC000226686610 395866519 /nfs/dbraw/zinc/86/65/19/395866519.db2.gz WJIMLUXVIPEANQ-UHFFFAOYSA-N 0 0 304.343 0.639 50 0 DCAARN O=C1N[C@]2(O)C(=O)c3ccccc3[C@@]2(O)N1c1cccc(O)c1 ZINC000226761176 395867326 /nfs/dbraw/zinc/86/73/26/395867326.db2.gz SOSVHHARGGATPT-HOTGVXAUSA-N 0 0 312.281 0.652 50 0 DCAARN CC(C)c1noc(CCC(=O)NCC2(C(N)=O)CCOCC2)n1 ZINC000052744776 395868756 /nfs/dbraw/zinc/86/87/56/395868756.db2.gz LZKGRDXANKWBBV-UHFFFAOYSA-N 0 0 324.381 0.524 50 0 DCAARN NC(=O)C1(CNC(=O)c2cnc3ccccc3n2)CCOCC1 ZINC000052743437 395868924 /nfs/dbraw/zinc/86/89/24/395868924.db2.gz BSZBQRKCHYHMSG-UHFFFAOYSA-N 0 0 314.345 0.642 50 0 DCAARN O=C(CN1CCNC(=O)C[C@H]1c1ccccc1)N1CCOCC1 ZINC000052834114 395871086 /nfs/dbraw/zinc/87/10/86/395871086.db2.gz SFIVDOYUMNWMLJ-HNNXBMFYSA-N 0 0 317.389 0.408 50 0 DCAARN O=C(CN1CCNC(=O)C[C@@H]1c1ccccc1)N1CCNC1=O ZINC000052834497 395871589 /nfs/dbraw/zinc/87/15/89/395871589.db2.gz RRXWILSGKRXUDY-CYBMUJFWSA-N 0 0 316.361 0.101 50 0 DCAARN COCCOc1ncccc1C(=O)N1CCC(CC(N)=O)CC1 ZINC000053062153 395875479 /nfs/dbraw/zinc/87/54/79/395875479.db2.gz WBWHPJLAHVZZQP-UHFFFAOYSA-N 0 0 321.377 0.834 50 0 DCAARN CCc1nnc([C@@H]2CN([C@@H](C(N)=O)c3ccccc3)CCO2)[nH]1 ZINC000229826157 395876264 /nfs/dbraw/zinc/87/62/64/395876264.db2.gz QKAMOTJNXWQWOD-GXTWGEPZSA-N 0 0 315.377 0.967 50 0 DCAARN C[C@H](NC(=O)CN1CCC[C@@H](CNS(C)(=O)=O)C1)C1CC1 ZINC000229778539 395876390 /nfs/dbraw/zinc/87/63/90/395876390.db2.gz GJWMHOGELKNHPO-RYUDHWBXSA-N 0 0 317.455 0.162 50 0 DCAARN CNC(=O)CN(C)CC(=O)NCCCSc1ccccc1 ZINC000053148861 395876882 /nfs/dbraw/zinc/87/68/82/395876882.db2.gz MEDOELOPVZUHFM-UHFFFAOYSA-N 0 0 309.435 0.963 50 0 DCAARN Cn1cc(S(=O)(=O)N2CCC[C@@](C)(O)CC2)cc1C(N)=O ZINC000230370832 395880600 /nfs/dbraw/zinc/88/06/00/395880600.db2.gz YJOJCIONWBWLSF-CYBMUJFWSA-N 0 0 315.395 0.050 50 0 DCAARN C[C@H]1C[C@H](C)N(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000134975410 395936373 /nfs/dbraw/zinc/93/63/73/395936373.db2.gz ZSWUCTOHXFRJKQ-UWVGGRQHSA-N 0 0 318.420 0.753 50 0 DCAARN COCC(=O)NC1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000057619031 395945653 /nfs/dbraw/zinc/94/56/53/395945653.db2.gz PJWRVCYYUGOFLU-UHFFFAOYSA-N 0 0 320.389 0.991 50 0 DCAARN CC(C)c1nc(CN2C(=O)N[C@@](C)(c3cnn(C)c3)C2=O)no1 ZINC000137581186 395951065 /nfs/dbraw/zinc/95/10/65/395951065.db2.gz UIOXMARNKQWWIK-AWEZNQCLSA-N 0 0 318.337 0.894 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000247526465 395975859 /nfs/dbraw/zinc/97/58/59/395975859.db2.gz NHIXIGQGVHYONP-CHWSQXEVSA-N 0 0 324.402 0.530 50 0 DCAARN Cn1cc([C@@H]2CCCN2CC(=O)N[C@H]2CCCCNC2=O)cn1 ZINC000248085575 395982640 /nfs/dbraw/zinc/98/26/40/395982640.db2.gz BEEAVARTTSRJEE-KBPBESRZSA-N 0 0 319.409 0.342 50 0 DCAARN Cc1ccnc(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)n1 ZINC000065001092 395990871 /nfs/dbraw/zinc/99/08/71/395990871.db2.gz PVAADFQOQPVXOK-CQSZACIVSA-N 0 0 303.410 0.775 50 0 DCAARN COCCNC(=O)Cn1ncc2c1ncnc2N1CCCCC1 ZINC000065295043 395992363 /nfs/dbraw/zinc/99/23/63/395992363.db2.gz UHZPZXLPDPHOLH-UHFFFAOYSA-N 0 0 318.381 0.579 50 0 DCAARN Nc1nc(NCCCn2ccnc2)cc(N2CCOCC2)n1 ZINC000065385811 395993005 /nfs/dbraw/zinc/99/30/05/395993005.db2.gz TWTGTKNAHAFLJV-UHFFFAOYSA-N 0 0 303.370 0.594 50 0 DCAARN CN(Cc1nncn1C)c1nccc(N2CCC(O)CC2)n1 ZINC000065384258 395993121 /nfs/dbraw/zinc/99/31/21/395993121.db2.gz BXGBQYJNGDCOKK-UHFFFAOYSA-N 0 0 303.370 0.203 50 0 DCAARN O=S(=O)(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)N1CCCC1 ZINC000252536842 396022618 /nfs/dbraw/zinc/02/26/18/396022618.db2.gz JQXXCALKPUIRJZ-YRGRVCCFSA-N 0 0 311.407 0.824 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N(C)c2cnccn2)cc1 ZINC000253415824 396027706 /nfs/dbraw/zinc/02/77/06/396027706.db2.gz JANXMWAGNPXKIA-UHFFFAOYSA-N 0 0 306.347 0.661 50 0 DCAARN COC(=O)c1cc(C(=O)NCC(=O)NC2CCCCC2)no1 ZINC000253417965 396028017 /nfs/dbraw/zinc/02/80/17/396028017.db2.gz JCTXMFRUADVKHZ-UHFFFAOYSA-N 0 0 309.322 0.640 50 0 DCAARN O=C(NC1CC1)[C@@H]1CC=CC[C@H]1C(=O)N1CCC2(C1)OCCO2 ZINC000253428990 396028494 /nfs/dbraw/zinc/02/84/94/396028494.db2.gz BSKXKTUGDNHFPX-ZIAGYGMSSA-N 0 0 320.389 0.823 50 0 DCAARN Cc1ccnn1CCC(=O)N[C@H]1C[C@@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000253535715 396029318 /nfs/dbraw/zinc/02/93/18/396029318.db2.gz NNQDQWCTDNTRBW-PHIMTYICSA-N 0 0 316.365 0.722 50 0 DCAARN CCC1=NO[C@@H](CN2CCN(c3cc(=O)nc(N)[nH]3)CC2)C1 ZINC000253536239 396029409 /nfs/dbraw/zinc/02/94/09/396029409.db2.gz LZRFCVAGLGHPJO-LLVKDONJSA-N 0 0 306.370 0.441 50 0 DCAARN CC(C)[C@H](NC(=O)CCn1ccc(=O)[nH]c1=O)c1nccn1C ZINC000253536551 396030723 /nfs/dbraw/zinc/03/07/23/396030723.db2.gz HYQSKDPYHFPHKO-ZDUSSCGKSA-N 0 0 319.365 0.586 50 0 DCAARN Cc1ccc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)c(=O)[nH]1 ZINC000154141333 396032296 /nfs/dbraw/zinc/03/22/96/396032296.db2.gz ILEITWAMRYVEAM-GFCCVEGCSA-N 0 0 315.377 0.816 50 0 DCAARN Cc1ccn(CC(=O)N2CCC3(CC[C@@H]3OCC(N)=O)CC2)n1 ZINC000257177871 396034108 /nfs/dbraw/zinc/03/41/08/396034108.db2.gz YENYNBDSTIKALM-ZDUSSCGKSA-N 0 0 320.393 0.465 50 0 DCAARN O=C(N[C@@H]1CN(c2ncccn2)C[C@H]1CO)c1ncccc1F ZINC000257187843 396035282 /nfs/dbraw/zinc/03/52/82/396035282.db2.gz CLLZXAZCYXMXRE-CMPLNLGQSA-N 0 0 317.324 0.238 50 0 DCAARN CC(=O)N1CC[C@H](c2nnc3n2CCN(C(=O)C(C)C)CC3)C1 ZINC000257191853 396035286 /nfs/dbraw/zinc/03/52/86/396035286.db2.gz ROGPLXIESLOAGX-ZDUSSCGKSA-N 0 0 319.409 0.655 50 0 DCAARN CN(C[C@H]1CCCO1)C(=O)c1cc(CN2CCOCC2)on1 ZINC000067843202 396036054 /nfs/dbraw/zinc/03/60/54/396036054.db2.gz JONGFRHMMKZGON-GFCCVEGCSA-N 0 0 309.366 0.758 50 0 DCAARN COc1ccc(C(=O)NCC[C@H]2CN(C)CCO2)c(OC)n1 ZINC000067856022 396037545 /nfs/dbraw/zinc/03/75/45/396037545.db2.gz SGCWOYSGIFBUHP-NSHDSACASA-N 0 0 309.366 0.549 50 0 DCAARN O=C(CCc1ccc(=O)[nH]n1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000067880776 396038239 /nfs/dbraw/zinc/03/82/39/396038239.db2.gz QZTSLIBZEZRYML-LLVKDONJSA-N 0 0 301.350 0.832 50 0 DCAARN O=C(NCc1cccnc1-n1ccnc1)C(=O)NC1CCCC1 ZINC000067974845 396041430 /nfs/dbraw/zinc/04/14/30/396041430.db2.gz AOHJFLGURFNDOT-UHFFFAOYSA-N 0 0 313.361 0.942 50 0 DCAARN CCc1nc(CN(C)[C@@H]2CCN([C@H]3C[C@H](C)OC3=O)C2)no1 ZINC000257365971 396046996 /nfs/dbraw/zinc/04/69/96/396046996.db2.gz DNVYURGPNXMUQJ-TUAOUCFPSA-N 0 0 308.382 0.842 50 0 DCAARN CCNC(=O)N1CCN(C(=O)c2cccc(C(=O)OC)c2)CC1 ZINC000069780252 396090109 /nfs/dbraw/zinc/09/01/09/396090109.db2.gz SOYLWOUPWOHICK-UHFFFAOYSA-N 0 0 319.361 0.961 50 0 DCAARN CN1CC[C@H](N2CCN(C(=O)CCc3ccccc3)CC2)C1=O ZINC000169752097 396090905 /nfs/dbraw/zinc/09/09/05/396090905.db2.gz JBJPTJMWZVJGLC-INIZCTEOSA-N 0 0 315.417 0.994 50 0 DCAARN COCCN1C(=O)c2cccn2C[C@H]1CNC(=O)C1CCC1 ZINC000169781150 396091942 /nfs/dbraw/zinc/09/19/42/396091942.db2.gz PYIFYJNCNIABRD-CYBMUJFWSA-N 0 0 305.378 0.875 50 0 DCAARN CC(C)=CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 ZINC000069841273 396092134 /nfs/dbraw/zinc/09/21/34/396092134.db2.gz KPZQPNVESYWXJW-CHWSQXEVSA-N 0 0 300.424 0.720 50 0 DCAARN Cn1c(CNC(=O)[C@@H]2Cn3cccc3C(=O)N2)nc2ccccc21 ZINC000169784965 396092834 /nfs/dbraw/zinc/09/28/34/396092834.db2.gz DEHFXQBJUGLARI-LBPRGKRZSA-N 0 0 323.356 0.803 50 0 DCAARN CC(C)NC(=O)CN(C)C(=O)c1ccc(-n2cncn2)cc1 ZINC000170078134 396094344 /nfs/dbraw/zinc/09/43/44/396094344.db2.gz OSPPIHQGESFTRU-UHFFFAOYSA-N 0 0 301.350 0.864 50 0 DCAARN O=C(Nc1cnn(-c2ccccn2)c1)N[C@@H]1CCc2ncnn2C1 ZINC000170603306 396095057 /nfs/dbraw/zinc/09/50/57/396095057.db2.gz XNWPWBQMJLUJGL-LLVKDONJSA-N 0 0 324.348 0.995 50 0 DCAARN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCc1cnn(C)c1C ZINC000170613385 396095949 /nfs/dbraw/zinc/09/59/49/396095949.db2.gz WBCUTVZJNKIQFZ-NEPJUHHUSA-N 0 0 315.395 0.490 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)Cn2nnc3ccccc32)CC1 ZINC000069950005 396096238 /nfs/dbraw/zinc/09/62/38/396096238.db2.gz OWGLSSKKCQTUAH-ZDUSSCGKSA-N 0 0 317.393 0.346 50 0 DCAARN CS(=O)(=O)NCCSc1nnnn1Cc1ccccc1 ZINC000069978574 396097251 /nfs/dbraw/zinc/09/72/51/396097251.db2.gz PCKXYOBFYPUZGB-UHFFFAOYSA-N 0 0 313.408 0.363 50 0 DCAARN Cc1nc2[nH]cnn2c(=O)c1CCC(=O)Nc1cnn(C)c1 ZINC000071285257 396111710 /nfs/dbraw/zinc/11/17/10/396111710.db2.gz NGTZGCRBDPZUDQ-UHFFFAOYSA-N 0 0 301.310 0.031 50 0 DCAARN O=C(NCc1ccccc1Cn1cncn1)c1ccc[nH]c1=O ZINC000071805659 396115278 /nfs/dbraw/zinc/11/52/78/396115278.db2.gz DNGPTOIOQLYPBK-UHFFFAOYSA-N 0 0 309.329 0.945 50 0 DCAARN O=C(C[C@@H]1NC(=O)N(c2ccc(F)cc2)C1=O)N1CCOCC1 ZINC000071800148 396115548 /nfs/dbraw/zinc/11/55/48/396115548.db2.gz SMJQOYRFCLFHLZ-LBPRGKRZSA-N 0 0 321.308 0.499 50 0 DCAARN NC(=O)[C@H](CNC(=O)[C@H]1COCCO1)Cc1ccc(F)cc1 ZINC000071826879 396116977 /nfs/dbraw/zinc/11/69/77/396116977.db2.gz WZMLTIQPOKUBPK-WCQYABFASA-N 0 0 310.325 0.001 50 0 DCAARN Cc1ccccc1[C@@H](CC(=O)NC(C)(C)C(N)=O)NC(N)=O ZINC000071824265 396117303 /nfs/dbraw/zinc/11/73/03/396117303.db2.gz MULCOKIDTSOLQN-LLVKDONJSA-N 0 0 306.366 0.475 50 0 DCAARN O=C([C@H]1COCCO1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000071833017 396117618 /nfs/dbraw/zinc/11/76/18/396117618.db2.gz MMISKNCJKKGXPY-GFCCVEGCSA-N 0 0 311.769 0.799 50 0 DCAARN CCn1cc(NC(=O)NCC2(C(N)=O)CCOCC2)ccc1=O ZINC000071831266 396117625 /nfs/dbraw/zinc/11/76/25/396117625.db2.gz QINRMOIWJLBRAB-UHFFFAOYSA-N 0 0 322.365 0.272 50 0 DCAARN COC(=O)c1ccc(NC(=O)NCCS(C)(=O)=O)c(C)c1 ZINC000071854909 396118435 /nfs/dbraw/zinc/11/84/35/396118435.db2.gz BVSFEIYHDICKSH-UHFFFAOYSA-N 0 0 314.363 0.948 50 0 DCAARN COC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC000071846964 396118668 /nfs/dbraw/zinc/11/86/68/396118668.db2.gz YMTGKXFVHVZFLW-PPGNKHEKSA-N 0 0 302.330 0.963 50 0 DCAARN Cc1cc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)n(C)n1 ZINC000071841504 396118775 /nfs/dbraw/zinc/11/87/75/396118775.db2.gz PBSOYLSTDXJTME-GFCCVEGCSA-N 0 0 318.352 0.942 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)Cc2noc3ccccc32)CC1 ZINC000071871063 396120327 /nfs/dbraw/zinc/12/03/27/396120327.db2.gz BNYLHOVMCYBCCA-GFCCVEGCSA-N 0 0 303.362 0.895 50 0 DCAARN CC(C)Cc1nc(CN2CCO[C@@H](Cn3cncn3)C2)no1 ZINC000071876573 396121379 /nfs/dbraw/zinc/12/13/79/396121379.db2.gz WCYDUPRRNRGJHE-GFCCVEGCSA-N 0 0 306.370 0.761 50 0 DCAARN CCN(CC)S(=O)(=O)CCNC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000071883620 396123299 /nfs/dbraw/zinc/12/32/99/396123299.db2.gz UUDXKIXUVMYNDX-RYUDHWBXSA-N 0 0 321.443 0.477 50 0 DCAARN Cc1ccoc1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000071884374 396123332 /nfs/dbraw/zinc/12/33/32/396123332.db2.gz JGIAYEROZFDKOC-UHFFFAOYSA-N 0 0 318.420 0.696 50 0 DCAARN CCNC(=O)N[C@@H]1CN(C(=O)c2ccccc2O)C[C@@H]1OC ZINC000071898214 396124441 /nfs/dbraw/zinc/12/44/41/396124441.db2.gz FASBFPFRRRJCDZ-YPMHNXCESA-N 0 0 307.350 0.551 50 0 DCAARN CN(C)c1ncccc1C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000072269158 396127917 /nfs/dbraw/zinc/12/79/17/396127917.db2.gz WLWSVVMSARVGGI-HUUCEWRRSA-N 0 0 318.421 0.819 50 0 DCAARN CC(C)(O)CN1CCN(C(=O)c2cn3cccnc3n2)CC1 ZINC000072269657 396129182 /nfs/dbraw/zinc/12/91/82/396129182.db2.gz DOFSNLIVECSQAR-UHFFFAOYSA-N 0 0 303.366 0.258 50 0 DCAARN Cc1ccc(CC(=O)N2CC[C@]3(C2)NC(=O)NC3=O)cc1C ZINC000072290699 396129936 /nfs/dbraw/zinc/12/99/36/396129936.db2.gz LHYVXYQKAUVZBH-MRXNPFEDSA-N 0 0 301.346 0.656 50 0 DCAARN O=C(N1CC[C@@]2(C1)NC(=O)NC2=O)C1(c2cccc(F)c2)CC1 ZINC000072290638 396130047 /nfs/dbraw/zinc/13/00/47/396130047.db2.gz IZVDUWONKWYAHF-INIZCTEOSA-N 0 0 317.320 0.668 50 0 DCAARN CON(C)C[C@@H](O)Cn1cc(NC(=O)Nc2cc(C)on2)cn1 ZINC000072291876 396130103 /nfs/dbraw/zinc/13/01/03/396130103.db2.gz VTKOBORAXLGWIA-LLVKDONJSA-N 0 0 324.341 0.678 50 0 DCAARN CC(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccnc2)C1 ZINC000069329571 396074780 /nfs/dbraw/zinc/07/47/80/396074780.db2.gz RTSCLPAQPSDLFL-CYBMUJFWSA-N 0 0 318.377 0.783 50 0 DCAARN Cc1cc(C)n(C[C@H]2CN(CCS(C)(=O)=O)CCO2)n1 ZINC000069370318 396075708 /nfs/dbraw/zinc/07/57/08/396075708.db2.gz XVUABYKIBMKNLD-CYBMUJFWSA-N 0 0 301.412 0.245 50 0 DCAARN O=C(CNC(=O)CSCC(=O)c1ccccc1)NC1CC1 ZINC000069349251 396075760 /nfs/dbraw/zinc/07/57/60/396075760.db2.gz VZYRGEANDDBGOD-UHFFFAOYSA-N 0 0 306.387 0.997 50 0 DCAARN C[C@@H]1CCCN(C(=O)CN2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000069414238 396077291 /nfs/dbraw/zinc/07/72/91/396077291.db2.gz PFGIVHBZOWIHRB-OLZOCXBDSA-N 0 0 317.455 0.259 50 0 DCAARN O=C(CN1CCO[C@@H](Cn2cccn2)C1)Nc1nccs1 ZINC000069417291 396077835 /nfs/dbraw/zinc/07/78/35/396077835.db2.gz RMZQZNLLNSJLDT-LLVKDONJSA-N 0 0 307.379 0.679 50 0 DCAARN C[C@@H]1CN(Cc2cnn(C)c2)CCN1c1ccc2nncn2n1 ZINC000069458482 396079663 /nfs/dbraw/zinc/07/96/63/396079663.db2.gz OFYVQDPKSFRDRO-GFCCVEGCSA-N 0 0 312.381 0.569 50 0 DCAARN CCN(C(=O)Cc1cn2ccccc2n1)[C@H]1CC(=O)NC1=O ZINC000069511917 396081518 /nfs/dbraw/zinc/08/15/18/396081518.db2.gz QDOFJVGYTMWTJJ-NSHDSACASA-N 0 0 300.318 0.140 50 0 DCAARN COCCN1CCN(C(=O)Cc2ccc3n[nH]cc3c2)CC1 ZINC000280503280 396205318 /nfs/dbraw/zinc/20/53/18/396205318.db2.gz LDKHDZMJQFXOOT-UHFFFAOYSA-N 0 0 302.378 0.896 50 0 DCAARN CCCn1nccc1NC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000075109200 396175664 /nfs/dbraw/zinc/17/56/64/396175664.db2.gz LHYZUVOILRDUAP-LBPRGKRZSA-N 0 0 300.384 0.992 50 0 DCAARN NC(=O)[C@H]1CC(C(=O)Nn2cccc2)=NN1c1ccc(F)cc1 ZINC000075107545 396176105 /nfs/dbraw/zinc/17/61/05/396176105.db2.gz OZRYWBITLWQNHN-CYBMUJFWSA-N 0 0 315.308 0.818 50 0 DCAARN CC(C)C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1Cn1cccn1 ZINC000075604370 396182430 /nfs/dbraw/zinc/18/24/30/396182430.db2.gz NBNMXSHKOPZORY-OLZOCXBDSA-N 0 0 307.398 0.957 50 0 DCAARN Cc1ncc2c(n1)CN(C[C@H](O)COC[C@@H]1CCCO1)CC2 ZINC000075605440 396182650 /nfs/dbraw/zinc/18/26/50/396182650.db2.gz AJZVUEOBQRNEEN-GJZGRUSLSA-N 0 0 307.394 0.700 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)[nH]1 ZINC000076045734 396192644 /nfs/dbraw/zinc/19/26/44/396192644.db2.gz DWRWDMZKUBNOOS-LBPRGKRZSA-N 0 0 305.338 0.861 50 0 DCAARN Cc1cc(OCC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)no1 ZINC000076045142 396192721 /nfs/dbraw/zinc/19/27/21/396192721.db2.gz KREUVNAFUQNCSG-JTQLQIEISA-N 0 0 307.310 0.388 50 0 DCAARN CC(=O)N[C@](C)(C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1)C1CC1 ZINC000076045282 396192849 /nfs/dbraw/zinc/19/28/49/396192849.db2.gz GZKVTVKRDSOZRH-WFASDCNBSA-N 0 0 321.381 0.318 50 0 DCAARN Cc1nnc([C@H]2CN(C(=O)c3ccc(=O)n(C)c3)CCO2)[nH]1 ZINC000076044700 396192887 /nfs/dbraw/zinc/19/28/87/396192887.db2.gz INWRUWJIXJAWNA-LLVKDONJSA-N 0 0 303.322 0.026 50 0 DCAARN CCCc1nnc([C@H]2CN(C(=O)c3csnn3)CCO2)[nH]1 ZINC000076046020 396192960 /nfs/dbraw/zinc/19/29/60/396192960.db2.gz TVMQTJZVOBIIOB-SECBINFHSA-N 0 0 308.367 0.822 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)c3ccc(N(C)C)nn3)CCO2)[nH]1 ZINC000076045017 396193200 /nfs/dbraw/zinc/19/32/00/396193200.db2.gz ACUJINHPQYQEIK-NSHDSACASA-N 0 0 317.353 0.183 50 0 DCAARN COCCO[C@H](C)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000076053620 396194511 /nfs/dbraw/zinc/19/45/11/396194511.db2.gz SNGMNZRTTCQJLC-BFHYXJOUSA-N 0 0 300.399 0.217 50 0 DCAARN CC(=O)N1CCN([C@@H]2CN(Cc3cc(C)on3)C[C@H]2C)CC1 ZINC000076055509 396194575 /nfs/dbraw/zinc/19/45/75/396194575.db2.gz JTOQIOOWTUCVEZ-MLGOLLRUSA-N 0 0 306.410 0.967 50 0 DCAARN C[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1N1CCOCC1 ZINC000076053096 396195016 /nfs/dbraw/zinc/19/50/16/396195016.db2.gz LKPCJJVMSOISCX-CHWSQXEVSA-N 0 0 312.414 0.004 50 0 DCAARN Cn1c(=O)cc(CSCCOCC(F)(F)F)n(C)c1=O ZINC000076068440 396195895 /nfs/dbraw/zinc/19/58/95/396195895.db2.gz YKAFUVIPKVMNCV-UHFFFAOYSA-N 0 0 312.313 0.896 50 0 DCAARN CN(C)c1ccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC000078788798 396254808 /nfs/dbraw/zinc/25/48/08/396254808.db2.gz RYRFODAAEWEMCI-CABCVRRESA-N 0 0 318.421 0.819 50 0 DCAARN CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)n1 ZINC000078890066 396255807 /nfs/dbraw/zinc/25/58/07/396255807.db2.gz NZJUZBWGVDNBQR-NXEZZACHSA-N 0 0 321.381 0.281 50 0 DCAARN CCCn1nnnc1CN1CCO[C@H](CNc2cccnn2)C1 ZINC000078893811 396256843 /nfs/dbraw/zinc/25/68/43/396256843.db2.gz SRTVZPWRFXXRAM-GFCCVEGCSA-N 0 0 318.385 0.186 50 0 DCAARN CC(C)c1nnc([C@@H]2CN(CCS(C)(=O)=O)CCO2)[nH]1 ZINC000078892786 396257336 /nfs/dbraw/zinc/25/73/36/396257336.db2.gz HAXICPLAGDQQEF-JTQLQIEISA-N 0 0 302.400 0.346 50 0 DCAARN CC(=O)c1ccc(OCC(=O)N2CCOC[C@@H](CO)C2)cc1 ZINC000077284866 396217362 /nfs/dbraw/zinc/21/73/62/396217362.db2.gz AOTTYAWFPATSOI-CYBMUJFWSA-N 0 0 307.346 0.735 50 0 DCAARN Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC000077301109 396218023 /nfs/dbraw/zinc/21/80/23/396218023.db2.gz AWQAIOHAQQRRSE-CYBMUJFWSA-N 0 0 320.393 0.174 50 0 DCAARN CCn1c(N)nc2cc(C(=O)NCCn3cnnc3)cnc21 ZINC000077321151 396218767 /nfs/dbraw/zinc/21/87/67/396218767.db2.gz JLXGVSJNTGVXPN-UHFFFAOYSA-N 0 0 300.326 0.055 50 0 DCAARN O=C(CCn1cnnn1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000077408387 396221430 /nfs/dbraw/zinc/22/14/30/396221430.db2.gz OFJROMXGEFVWRP-UHFFFAOYSA-N 0 0 320.397 0.314 50 0 DCAARN COCc1noc(CCNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)n1 ZINC000077423642 396222147 /nfs/dbraw/zinc/22/21/47/396222147.db2.gz MSPTUOZSQYFDIG-SNVBAGLBSA-N 0 0 310.354 0.132 50 0 DCAARN Cc1n[nH]c(C)c1CCC(=O)N1CC[C@]2(CC(=O)NC2=O)C1 ZINC000077425279 396222538 /nfs/dbraw/zinc/22/25/38/396222538.db2.gz SYSFDLULBZHKGU-HNNXBMFYSA-N 0 0 304.350 0.224 50 0 DCAARN CN(Cc1cccc(-n2cccn2)c1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000077455948 396223398 /nfs/dbraw/zinc/22/33/98/396223398.db2.gz QKKVCXSOCVHWOK-AWEZNQCLSA-N 0 0 313.361 0.854 50 0 DCAARN CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccn3)s2)CCO1 ZINC000185719353 396333934 /nfs/dbraw/zinc/33/39/34/396333934.db2.gz SYUIEKYRAVDPDS-LLVKDONJSA-N 0 0 319.390 0.941 50 0 DCAARN CC(C)(C)SCC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000186678824 396355308 /nfs/dbraw/zinc/35/53/08/396355308.db2.gz JEOOWOIFVNLUQO-LBPRGKRZSA-N 0 0 313.467 0.941 50 0 DCAARN Cc1cc(C)n2c(nnc2C(=O)N2CCN3C(=O)OC[C@H]3C2)n1 ZINC000584885289 396632457 /nfs/dbraw/zinc/63/24/57/396632457.db2.gz JWIFKZLODZSOPD-SNVBAGLBSA-N 0 0 316.321 0.018 50 0 DCAARN O=C(CN1CCOCC1)N1CCCN(C(=O)C2CCC2)CC1 ZINC000584889414 396633496 /nfs/dbraw/zinc/63/34/96/396633496.db2.gz KSKCGVRTQSAWNB-UHFFFAOYSA-N 0 0 309.410 0.180 50 0 DCAARN COc1cccc2ncn([C@@H]3CS(=O)(=O)C[C@H]3OC)c(=O)c21 ZINC000584894082 396634739 /nfs/dbraw/zinc/63/47/39/396634739.db2.gz ZPZMNAXYWDPBEG-ZYHUDNBSSA-N 0 0 324.358 0.390 50 0 DCAARN CCc1ncc(C(=O)NC[C@@H]2CC(=O)N(CCOC)C2)cn1 ZINC000584895122 396634970 /nfs/dbraw/zinc/63/49/70/396634970.db2.gz RWBUWHQBOZPGIN-NSHDSACASA-N 0 0 306.366 0.264 50 0 DCAARN CCCN1C(=O)N[C@@H](CC(=O)N2CCC(COC)CC2)C1=O ZINC000584897305 396635387 /nfs/dbraw/zinc/63/53/87/396635387.db2.gz YSAZQRNZGUWUBH-LBPRGKRZSA-N 0 0 311.382 0.592 50 0 DCAARN C[C@@H](Cn1cnc2ccccc2c1=O)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC000584898573 396635407 /nfs/dbraw/zinc/63/54/07/396635407.db2.gz XDYXZJYWNZAQNJ-VIFPVBQESA-N 0 0 300.322 0.399 50 0 DCAARN CCc1nn(C)c2c1ncn(CC(C)(C)N1CCOCC1)c2=O ZINC000584901042 396636526 /nfs/dbraw/zinc/63/65/26/396636526.db2.gz WWHJKUFLTSKFQW-UHFFFAOYSA-N 0 0 319.409 0.803 50 0 DCAARN CNC(=O)C[C@@H]1CCN(C(=O)c2cnc(N(C)C)nc2C)C1 ZINC000584903923 396637779 /nfs/dbraw/zinc/63/77/79/396637779.db2.gz PORDCUNSQHSIFF-NSHDSACASA-N 0 0 305.382 0.449 50 0 DCAARN CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)NCCCn1ncccc1=O ZINC000585149618 396642227 /nfs/dbraw/zinc/64/22/27/396642227.db2.gz JWRJVLCNTRSVGW-WCQYABFASA-N 0 0 320.393 0.158 50 0 DCAARN COCCN1C[C@]2(CCCN(C(=O)c3cn[nH]c3)C2)CCC1=O ZINC000299764805 396713998 /nfs/dbraw/zinc/71/39/98/396713998.db2.gz LWVCLJNBVDEQEG-INIZCTEOSA-N 0 0 320.393 0.901 50 0 DCAARN CCN(C[C@H]1CN([C@H]2CCOC2=O)CCO1)c1cccnn1 ZINC000299754231 396714331 /nfs/dbraw/zinc/71/43/31/396714331.db2.gz ZAQRKRRRCJYRIO-STQMWFEESA-N 0 0 306.366 0.319 50 0 DCAARN Cc1cc(=O)n(CC(=O)N2CC(OCC(F)(F)F)C2)cn1 ZINC000390826258 397302199 /nfs/dbraw/zinc/30/21/99/397302199.db2.gz GONSZOWIDMDWAH-UHFFFAOYSA-N 0 0 305.256 0.341 50 0 DCAARN CN1c2ccc(NC(=O)[C@H]3CCOC3)cc2N(C)S1(=O)=O ZINC000390827604 397303009 /nfs/dbraw/zinc/30/30/09/397303009.db2.gz ZQODAOQUYBVXFT-VIFPVBQESA-N 0 0 311.363 0.792 50 0 DCAARN O=C(CN1C(=O)CCC1=O)Nc1cnn(C[C@@H]2CCCCO2)c1 ZINC000390828462 397303308 /nfs/dbraw/zinc/30/33/08/397303308.db2.gz QZSNCIKNJIFRBA-LBPRGKRZSA-N 0 0 320.349 0.540 50 0 DCAARN CO[C@@H](C)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000407968053 397340494 /nfs/dbraw/zinc/34/04/94/397340494.db2.gz FCUAAJPPQBBXRE-NSHDSACASA-N 0 0 304.412 0.438 50 0 DCAARN O=S1CCN(Cc2cn(CCCc3ccncc3)nn2)CC1 ZINC000603247161 397588371 /nfs/dbraw/zinc/58/83/71/397588371.db2.gz ROQFMEYDBMEZRQ-UHFFFAOYSA-N 0 0 319.434 0.870 50 0 DCAARN Cn1cc(C=c2sc(=CC(=O)c3ccncc3)[nH]c2=O)cn1 ZINC000606348367 397679280 /nfs/dbraw/zinc/67/92/80/397679280.db2.gz JGWGACKOZNHWDG-UHFFFAOYSA-N 0 0 312.354 0.469 50 0 DCAARN O=C(NC[C@@]1(O)C=CCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000606440384 397681369 /nfs/dbraw/zinc/68/13/69/397681369.db2.gz JIPCSGHFJZKHCH-MRXNPFEDSA-N 0 0 318.329 0.941 50 0 DCAARN CCOC(=O)[C@H](Cc1ccccc1)N(C)S(=O)(=O)N(C)C ZINC000069976964 285927421 /nfs/dbraw/zinc/92/74/21/285927421.db2.gz RDMFBGTXUCQQJV-ZDUSSCGKSA-N 0 0 314.407 0.899 50 0 DCAARN C[C@@H]1CNCCN1S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000237460291 297104412 /nfs/dbraw/zinc/10/44/12/297104412.db2.gz OKDYETHOJOFCTO-SNVBAGLBSA-N 0 0 318.420 0.073 50 0 DCAARN CCO[C@@H]1C[C@H](NC(=O)C2(S(N)(=O)=O)CC2)C1(CC)CC ZINC000408522456 286342404 /nfs/dbraw/zinc/34/24/04/286342404.db2.gz JLEYWQAJHQFSCJ-WDEREUQCSA-N 0 0 318.439 0.908 50 0 DCAARN Cc1ccc([C@H]2NC(=O)Nc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000038671250 292278162 /nfs/dbraw/zinc/27/81/62/292278162.db2.gz IPBRMNWRTKQFRF-SECBINFHSA-N 0 0 306.347 0.678 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC(=O)Nc2ccccc21 ZINC000016847997 286608493 /nfs/dbraw/zinc/60/84/93/286608493.db2.gz IGNBKVFCCALVGE-GFCCVEGCSA-N 0 0 323.374 0.396 50 0 DCAARN CCOCCS(=O)(=O)NCC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000136103900 158341549 /nfs/dbraw/zinc/34/15/49/158341549.db2.gz CSGWVYPBSJHQMW-NWDGAFQWSA-N 0 0 306.428 0.589 50 0 DCAARN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)N2CCOCC2)C1 ZINC000263481310 158882090 /nfs/dbraw/zinc/88/20/90/158882090.db2.gz KWPHMXUEAPSNBT-UHFFFAOYSA-N 0 0 311.382 0.356 50 0 DCAARN CCOC[C@@H]1CCCN(C(=O)CCS(=O)(=O)N(C)C)C1 ZINC000330562119 159193896 /nfs/dbraw/zinc/19/38/96/159193896.db2.gz TUNPXDFYMUDMDD-GFCCVEGCSA-N 0 0 306.428 0.543 50 0 DCAARN CC(=O)c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc1 ZINC000408012110 160010713 /nfs/dbraw/zinc/01/07/13/160010713.db2.gz ZYJFRHPNDHOWTO-AWEZNQCLSA-N 0 0 323.418 0.593 50 0 DCAARN COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OC ZINC000057946337 292520888 /nfs/dbraw/zinc/52/08/88/292520888.db2.gz CFJKRCVORXNNCE-MRXNPFEDSA-N 0 0 318.329 0.785 50 0 DCAARN COC[C@H](C)NC(=O)Cn1cc(Br)ccc1=O ZINC000014124124 415149633 /nfs/dbraw/zinc/14/96/33/415149633.db2.gz SLWVMKOFXOWXQT-QMMMGPOBSA-N 0 0 303.156 0.762 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000025205438 415158318 /nfs/dbraw/zinc/15/83/18/415158318.db2.gz JCAMGHSRBHHCLU-LBPRGKRZSA-N 0 0 301.412 0.293 50 0 DCAARN COc1ccc(OC)c(NC(=O)CSc2nnnn2C)c1 ZINC000000471316 415124902 /nfs/dbraw/zinc/12/49/02/415124902.db2.gz REDDRDGSQHMJSI-UHFFFAOYSA-N 0 0 309.351 0.958 50 0 DCAARN CCNS(=O)(=O)c1cccnc1N1CCN(C(C)C)CC1 ZINC000000481383 415125846 /nfs/dbraw/zinc/12/58/46/415125846.db2.gz KAKYWWYSCSBZEI-UHFFFAOYSA-N 0 0 312.439 0.910 50 0 DCAARN Cn1c(=O)[nH]c(=O)c2c1NC1=C(C(=O)OC1)[C@@H]2c1ccccc1 ZINC000004495910 415130296 /nfs/dbraw/zinc/13/02/96/415130296.db2.gz LDRPHFMYAJCBFM-JTQLQIEISA-N 0 0 311.297 0.442 50 0 DCAARN CN(C(=O)COC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000007141457 415137562 /nfs/dbraw/zinc/13/75/62/415137562.db2.gz KWDGESBPNIJEFI-VIFPVBQESA-N 0 0 317.388 0.550 50 0 DCAARN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C)cc1 ZINC000007309334 415138663 /nfs/dbraw/zinc/13/86/63/415138663.db2.gz XBWSZVGOQPBHBK-UHFFFAOYSA-N 0 0 300.380 0.794 50 0 DCAARN CCOC(=O)N1CN(N=O)CN(C(=O)OCC)CN(N=O)C1 ZINC000009057641 415144090 /nfs/dbraw/zinc/14/40/90/415144090.db2.gz MMKNXBPYOODKIP-UHFFFAOYSA-N 0 0 318.290 0.714 50 0 DCAARN CNC(=O)NC(=O)CSc1nc2ccsc2c(=O)n1C ZINC000026103292 415166428 /nfs/dbraw/zinc/16/64/28/415166428.db2.gz STONGYLKTFZNMM-UHFFFAOYSA-N 0 0 312.376 0.543 50 0 DCAARN CNS(=O)(=O)c1cccc(CNC(=O)c2cccnc2)c1 ZINC000027347141 415167878 /nfs/dbraw/zinc/16/78/78/415167878.db2.gz YIOIKPAMTREGOE-UHFFFAOYSA-N 0 0 305.359 0.920 50 0 DCAARN O=C(CNC(=O)CSc1nnnn1C1CCCC1)NC1CC1 ZINC000044339007 415219065 /nfs/dbraw/zinc/21/90/65/415219065.db2.gz HZQYLZHTXHAMKN-UHFFFAOYSA-N 0 0 324.410 0.275 50 0 DCAARN Cc1ccccc1CS(=O)(=O)Cc1cc(=O)n(C)c(=O)n1C ZINC000044909093 415232348 /nfs/dbraw/zinc/23/23/48/415232348.db2.gz SWOVUGHLIIKHDI-UHFFFAOYSA-N 0 0 322.386 0.507 50 0 DCAARN C[C@H](OCC(F)(F)F)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000044939356 415235454 /nfs/dbraw/zinc/23/54/54/415235454.db2.gz QKYROPOHLVRHEA-QMMMGPOBSA-N 0 0 318.317 0.058 50 0 DCAARN C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1noc(C(C)(C)C)n1 ZINC000044938706 415236114 /nfs/dbraw/zinc/23/61/14/415236114.db2.gz YVUQYWRVVQHTMZ-MRVPVSSYSA-N 0 0 315.395 0.949 50 0 DCAARN C[C@H](CNC(=O)NC[C@H](c1ccco1)N(C)C)N1CCOCC1 ZINC000044949274 415237477 /nfs/dbraw/zinc/23/74/77/415237477.db2.gz PIBVQLIEQPUJRY-ZIAGYGMSSA-N 0 0 324.425 0.902 50 0 DCAARN C[C@H]1CN(C(=O)Cn2nnn(-c3cccs3)c2=O)[C@@H](C)CO1 ZINC000045525254 415247332 /nfs/dbraw/zinc/24/73/32/415247332.db2.gz OIKGQVBBEHXMTR-UWVGGRQHSA-N 0 0 323.378 0.126 50 0 DCAARN Cc1cc(CN(C)C(=O)NC[C@H]2CCS(=O)(=O)C2)no1 ZINC000045674367 415252113 /nfs/dbraw/zinc/25/21/13/415252113.db2.gz WVPQWLMNRCSELG-SNVBAGLBSA-N 0 0 301.368 0.559 50 0 DCAARN O=C(c1nnc2ccccc2n1)N1CCN(c2ncccn2)CC1 ZINC000046088135 415255062 /nfs/dbraw/zinc/25/50/62/415255062.db2.gz OPGAGBMCLHWZJD-UHFFFAOYSA-N 0 0 321.344 0.777 50 0 DCAARN Cc1ccc2nnc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)nc2c1 ZINC000046088946 415255587 /nfs/dbraw/zinc/25/55/87/415255587.db2.gz PLMXITWKNRMMEG-JTQLQIEISA-N 0 0 320.374 0.592 50 0 DCAARN COCCNS(=O)(=O)c1ccc2c(c1)OC(C)(C)C(=O)N2 ZINC000046088697 415256955 /nfs/dbraw/zinc/25/69/55/415256955.db2.gz HICRWCZOTBBKSW-UHFFFAOYSA-N 0 0 314.363 0.721 50 0 DCAARN C[C@@H](NC(=O)NC[C@H](O)COc1ccccc1)c1nncn1C ZINC000046963169 415262523 /nfs/dbraw/zinc/26/25/23/415262523.db2.gz VAZFPDPJCRIFGM-NEPJUHHUSA-N 0 0 319.365 0.615 50 0 DCAARN CN(Cc1ccc2c(c1)OCO2)C(=O)CCNS(C)(=O)=O ZINC000047615368 415273682 /nfs/dbraw/zinc/27/36/82/415273682.db2.gz KDENQGQEDLGNFI-UHFFFAOYSA-N 0 0 314.363 0.313 50 0 DCAARN CC[C@H](CO)NC(=O)NCc1ccc(S(=O)(=O)NC)cc1 ZINC000047601968 415274790 /nfs/dbraw/zinc/27/47/90/415274790.db2.gz CZGAKDRTYRUBGS-LLVKDONJSA-N 0 0 315.395 0.165 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC000332179567 415282765 /nfs/dbraw/zinc/28/27/65/415282765.db2.gz WEUDTYVRLOTQCM-KXUCPTDWSA-N 0 0 310.366 0.866 50 0 DCAARN Cc1nc(C)c(CC(=O)NC[C@@H]2CCS(=O)(=O)C2)s1 ZINC000044457251 415222060 /nfs/dbraw/zinc/22/20/60/415222060.db2.gz UISBSBPLOUOLAY-JTQLQIEISA-N 0 0 302.421 0.853 50 0 DCAARN CN(C(=O)COc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000044869155 415228204 /nfs/dbraw/zinc/22/82/04/415228204.db2.gz XWFWPWWFLJNIJO-SNVBAGLBSA-N 0 0 319.329 0.989 50 0 DCAARN COCCn1nc(C(=O)N[C@@H](C)c2cccnc2)ccc1=O ZINC000044873544 415228568 /nfs/dbraw/zinc/22/85/68/415228568.db2.gz ZOAAZJIJHVQQIZ-NSHDSACASA-N 0 0 302.334 0.776 50 0 DCAARN CCn1nnc2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)ccc21 ZINC000044873722 415228749 /nfs/dbraw/zinc/22/87/49/415228749.db2.gz XUEDZKVEIBTBIY-JTQLQIEISA-N 0 0 308.363 0.368 50 0 DCAARN COc1cccc([C@@H](CNC(=O)COCC(=O)[O-])[NH+](C)C)c1 ZINC000044869562 415228934 /nfs/dbraw/zinc/22/89/34/415228934.db2.gz BKYMORKEZSDUHL-CYBMUJFWSA-N 0 0 310.350 0.515 50 0 DCAARN CC(C)CC[N@@H+]1C[C@@H]2CN(S(C)(=O)=O)C[C@]2(C(=O)[O-])C1 ZINC000065424211 415355176 /nfs/dbraw/zinc/35/51/76/415355176.db2.gz KTQUOGUOBFJULO-DGCLKSJQSA-N 0 0 304.412 0.311 50 0 DCAARN Cc1cc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)n(C)n1 ZINC000048235930 415286698 /nfs/dbraw/zinc/28/66/98/415286698.db2.gz FLOXJMHCXHWLMD-UHFFFAOYSA-N 0 0 321.362 0.165 50 0 DCAARN Cc1nccn1-c1cc(CNC(=O)[C@@H]2CCC(=O)NC2)ccn1 ZINC000048238917 415287425 /nfs/dbraw/zinc/28/74/25/415287425.db2.gz LOMQXXXDFDUFQU-CYBMUJFWSA-N 0 0 313.361 0.718 50 0 DCAARN O=C(c1ccc2c(c1)NC(=O)CS2)N1CCCS1(=O)=O ZINC000048762693 415295844 /nfs/dbraw/zinc/29/58/44/415295844.db2.gz HNJGVKZMZVUAFY-UHFFFAOYSA-N 0 0 312.372 0.907 50 0 DCAARN C[C@@H](SCc1ccccc1)C(=O)NCCNS(C)(=O)=O ZINC000048544911 415297301 /nfs/dbraw/zinc/29/73/01/415297301.db2.gz IQKVRPINQKVUCJ-LLVKDONJSA-N 0 0 316.448 0.974 50 0 DCAARN Cc1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)s1 ZINC000049336793 415304721 /nfs/dbraw/zinc/30/47/21/415304721.db2.gz VSBKVZSMFFDVOU-UHFFFAOYSA-N 0 0 316.448 0.859 50 0 DCAARN Cc1noc(C)c1CNC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000065521757 415356920 /nfs/dbraw/zinc/35/69/20/415356920.db2.gz OMAAIZHOVPKDFO-GFCCVEGCSA-N 0 0 315.395 0.722 50 0 DCAARN NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccnc1 ZINC000051137724 415311381 /nfs/dbraw/zinc/31/13/81/415311381.db2.gz GXIQIXWNQZARAC-ZDUSSCGKSA-N 0 0 305.359 0.457 50 0 DCAARN Cc1nonc1CN1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000058157666 415343014 /nfs/dbraw/zinc/34/30/14/415343014.db2.gz OVXBSCIUEPEYTM-HNNXBMFYSA-N 0 0 315.377 0.722 50 0 DCAARN CC(C)(CNS(=O)(=O)c1ccccc1)NS(C)(=O)=O ZINC000068940803 415399714 /nfs/dbraw/zinc/39/97/14/415399714.db2.gz SXEDDCVSQHWJSK-UHFFFAOYSA-N 0 0 306.409 0.293 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)c3c[nH]cc(C)c3=O)CCO2)o1 ZINC000332379629 415371122 /nfs/dbraw/zinc/37/11/22/415371122.db2.gz YLFHRGIOHKDYBH-LLVKDONJSA-N 0 0 318.333 0.842 50 0 DCAARN C[C@H]1CCCN(c2nc3ncn(CC(N)=O)c(=O)c3s2)C1 ZINC000067239637 415374426 /nfs/dbraw/zinc/37/44/26/415374426.db2.gz MXUMLIDVMCOISM-QMMMGPOBSA-N 0 0 307.379 0.575 50 0 DCAARN Cc1ccc2cc(CN3CCO[C@H](C(N)=O)C3)c(=O)[nH]c2c1 ZINC000067562287 415378841 /nfs/dbraw/zinc/37/88/41/415378841.db2.gz SAFTZYPSNFLOCL-AWEZNQCLSA-N 0 0 301.346 0.523 50 0 DCAARN CNC(=O)C1(C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000084638286 415496064 /nfs/dbraw/zinc/49/60/64/415496064.db2.gz ZUJWJCYZRIIMOW-JTQLQIEISA-N 0 0 313.398 0.790 50 0 DCAARN CCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](O)COCC(C)C ZINC000084718674 415499325 /nfs/dbraw/zinc/49/93/25/415499325.db2.gz VMXZCDOQETVCBE-NEPJUHHUSA-N 0 0 318.439 0.448 50 0 DCAARN C[C@](O)(CNC(=O)C(=O)NCCc1ccccc1)c1ccco1 ZINC000075156264 415437490 /nfs/dbraw/zinc/43/74/90/415437490.db2.gz PENNVAMMNRVUTO-KRWDZBQOSA-N 0 0 316.357 0.962 50 0 DCAARN CCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCOCC2)c1=O ZINC000075530987 415444794 /nfs/dbraw/zinc/44/47/94/415444794.db2.gz WKENDSQWOFHZHU-UHFFFAOYSA-N 0 0 324.362 0.029 50 0 DCAARN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)CO)cc1 ZINC000095349456 415549778 /nfs/dbraw/zinc/54/97/78/415549778.db2.gz WPZVNAPXARJXAS-GHMZBOCLSA-N 0 0 314.407 0.874 50 0 DCAARN CCn1cnnc1CN1CC[C@]2(C1)CCCN(CCOC)C2=O ZINC000095375687 415557067 /nfs/dbraw/zinc/55/70/67/415557067.db2.gz JJSSEFCWHQQMOH-INIZCTEOSA-N 0 0 321.425 0.759 50 0 DCAARN CC(=O)N1CCC[C@H](C(=O)NCc2ncc3c(n2)CCC3)C1 ZINC000095375589 415557487 /nfs/dbraw/zinc/55/74/87/415557487.db2.gz MLUQWZAOLMRFGX-ZDUSSCGKSA-N 0 0 302.378 0.840 50 0 DCAARN COc1ccccc1OC1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000095387581 415557619 /nfs/dbraw/zinc/55/76/19/415557619.db2.gz GSMZGCDRSDMSCI-LLVKDONJSA-N 0 0 305.334 0.308 50 0 DCAARN Cn1cc(C[NH+]2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)cn1 ZINC000095385496 415559448 /nfs/dbraw/zinc/55/94/48/415559448.db2.gz FCYFGTYIVOMOFZ-GFCCVEGCSA-N 0 0 306.366 0.318 50 0 DCAARN CCO[C@@H]1C[C@@H](NC(=O)NCc2nnc3n2CCC3)[C@@H]1OC ZINC000095942777 415565029 /nfs/dbraw/zinc/56/50/29/415565029.db2.gz ZJQVNNCSHSUDNH-BREBYQMCSA-N 0 0 309.370 0.216 50 0 DCAARN CCOC(=O)CN[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000095532289 415565823 /nfs/dbraw/zinc/56/58/23/415565823.db2.gz OQXRQAUZGCNWMV-GFCCVEGCSA-N 0 0 306.318 0.480 50 0 DCAARN Cc1cc(C(=O)NCC(=O)N2CCOCC2)nn1C(C)(C)C ZINC000095989250 415567664 /nfs/dbraw/zinc/56/76/64/415567664.db2.gz HEQNJJABDLEJOH-UHFFFAOYSA-N 0 0 308.382 0.535 50 0 DCAARN COC(=O)c1ccc([C@H](C)N2CCn3c(nn(C)c3=O)C2)o1 ZINC000095984116 415567730 /nfs/dbraw/zinc/56/77/30/415567730.db2.gz BFTWIYBKODPDGU-VIFPVBQESA-N 0 0 306.322 0.538 50 0 DCAARN CCn1cc(CN2CCN(C(=O)N3CCOCC3)CC2)cn1 ZINC000095982391 415568604 /nfs/dbraw/zinc/56/86/04/415568604.db2.gz COMHRAMMZOFIFO-UHFFFAOYSA-N 0 0 307.398 0.473 50 0 DCAARN C[C@H](NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C(C)(C)C ZINC000095958611 415569006 /nfs/dbraw/zinc/56/90/06/415569006.db2.gz LVZQEVUBHMEAEO-QMMMGPOBSA-N 0 0 321.381 0.433 50 0 DCAARN COC(=O)N1CCC(CNS(=O)(=O)c2cn(C)cn2)CC1 ZINC000096025865 415571900 /nfs/dbraw/zinc/57/19/00/415571900.db2.gz WNUDERFXWYIMEM-UHFFFAOYSA-N 0 0 316.383 0.177 50 0 DCAARN C[C@@H]1CN(C[C@@H](O)Cn2nc(-c3ccco3)oc2=O)C[C@@H](C)O1 ZINC000106830555 415647063 /nfs/dbraw/zinc/64/70/63/415647063.db2.gz BZICFCPHWAXTFG-IJLUTSLNSA-N 0 0 323.349 0.566 50 0 DCAARN CC(C)(CO)NC(=O)c1cnn2cc(Br)cnc12 ZINC000097047431 415580394 /nfs/dbraw/zinc/58/03/94/415580394.db2.gz GAOASPKZOFDOJP-UHFFFAOYSA-N 0 0 313.155 0.993 50 0 DCAARN CN(CC(=O)NC1C2CC3CC(C2)CC1C3)S(C)(=O)=O ZINC000097213539 415586748 /nfs/dbraw/zinc/58/67/48/415586748.db2.gz CKNMXKZGXQKKLR-UHFFFAOYSA-N 0 0 300.424 0.819 50 0 DCAARN Cn1nc(C(=O)N[C@@H]2CCc3nccn3C2)c2ccccc2c1=O ZINC000097197702 415587759 /nfs/dbraw/zinc/58/77/59/415587759.db2.gz GUPQSGYCLOZDTB-LLVKDONJSA-N 0 0 323.356 0.875 50 0 DCAARN Cc1ccc(N2C(=O)C[C@H](N3CCC[C@H](C(N)=O)C3)C2=O)cc1 ZINC000102701008 415598193 /nfs/dbraw/zinc/59/81/93/415598193.db2.gz RDWXBOXVQALVDI-JSGCOSHPSA-N 0 0 315.373 0.824 50 0 DCAARN Cc1ccncc1CCCN1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000289557008 415708302 /nfs/dbraw/zinc/70/83/02/415708302.db2.gz GPPPJBAOUNKWAH-MRXNPFEDSA-N 0 0 320.437 0.441 50 0 DCAARN CCn1c2ccccc2nc1NC(=O)CN1CCNCC1=O ZINC000150698224 415962533 /nfs/dbraw/zinc/96/25/33/415962533.db2.gz WDIDNHJBIMHIHQ-UHFFFAOYSA-N 0 0 301.350 0.427 50 0 DCAARN CNc1cc(C)[nH+]c(N2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)n1 ZINC000299758115 416064401 /nfs/dbraw/zinc/06/44/01/416064401.db2.gz CIQGYQMCWOCYCS-VHSXEESVSA-N 0 0 317.353 0.640 50 0 DCAARN COc1ccc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)cn1 ZINC000299763874 416065344 /nfs/dbraw/zinc/06/53/44/416065344.db2.gz GFAWGWRPGWHYPG-QWHCGFSZSA-N 0 0 315.333 0.668 50 0 DCAARN Cn1cc(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)c2ccccc21 ZINC000299770614 416065716 /nfs/dbraw/zinc/06/57/16/416065716.db2.gz XALCBBFRZQMQMC-LLVKDONJSA-N 0 0 321.402 0.929 50 0 DCAARN COCC1(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)CCC1 ZINC000299763826 416066304 /nfs/dbraw/zinc/06/63/04/416066304.db2.gz DYKVJWAZQZVCRA-QWHCGFSZSA-N 0 0 306.366 0.767 50 0 DCAARN O=C(CCc1ccncc1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299769542 416066471 /nfs/dbraw/zinc/06/64/71/416066471.db2.gz SILFOSAEGZDWKM-LSDHHAIUSA-N 0 0 313.361 0.978 50 0 DCAARN CCCn1cc(C(=O)NCc2nc(C(=O)NC)no2)c(C)n1 ZINC000299783445 416066890 /nfs/dbraw/zinc/06/68/90/416066890.db2.gz ZKMPWAHHDSXCMA-UHFFFAOYSA-N 0 0 306.326 0.274 50 0 DCAARN Cc1nn(CCNC(=O)[C@@H](C)N2CCN(C)CC2)c(C)c1C ZINC000299777405 416067265 /nfs/dbraw/zinc/06/72/65/416067265.db2.gz NHLDKQAHCAGAOY-OAHLLOKOSA-N 0 0 307.442 0.560 50 0 DCAARN O=C(c1cc(CO)ccn1)N1CCN(C2CCCC2)C(=O)C1 ZINC000299785098 416068989 /nfs/dbraw/zinc/06/89/89/416068989.db2.gz JCSHPYMAKTYVBE-UHFFFAOYSA-N 0 0 303.362 0.801 50 0 DCAARN OCc1[nH]nc2c1CN(c1cc([C@H]3CCOC3)ncn1)CC2 ZINC000299791314 416070042 /nfs/dbraw/zinc/07/00/42/416070042.db2.gz CVFHVQQVUGLWQE-JTQLQIEISA-N 0 0 301.350 0.759 50 0 DCAARN O=C(N[C@@H]1CCOC1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000179049784 416180635 /nfs/dbraw/zinc/18/06/35/416180635.db2.gz CDESOFPUZQBBAG-GFCCVEGCSA-N 0 0 310.375 0.646 50 0 DCAARN CCc1cc(=O)[nH]c(S[C@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC000189438508 416266188 /nfs/dbraw/zinc/26/61/88/416266188.db2.gz UAXHHKCPZBZYEV-NSHDSACASA-N 0 0 319.390 0.963 50 0 DCAARN Cc1nn(C)cc1NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000189690762 416268278 /nfs/dbraw/zinc/26/82/78/416268278.db2.gz WWUGUXPLMAFPLC-UHFFFAOYSA-N 0 0 317.353 0.343 50 0 DCAARN CC1(C)OCC[C@H]1NC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000331429026 416312128 /nfs/dbraw/zinc/31/21/28/416312128.db2.gz IUBDSHJIZWTTHA-LLVKDONJSA-N 0 0 319.427 0.231 50 0 DCAARN COCCn1cnnc1CCNC(=O)c1n[nH]c2c1CCC2 ZINC000215267352 416326917 /nfs/dbraw/zinc/32/69/17/416326917.db2.gz NFGYVYKBNIAWQD-UHFFFAOYSA-N 0 0 304.354 0.109 50 0 DCAARN Cc1ccc(CCNC(=O)CCn2ccc(=O)[nH]c2=O)s1 ZINC000215268436 416326955 /nfs/dbraw/zinc/32/69/55/416326955.db2.gz FOCWCHVHELIVRW-UHFFFAOYSA-N 0 0 307.375 0.656 50 0 DCAARN Cn1cc(C(=O)N2CCC3(CC2)OCCC[C@H]3O)ccc1=O ZINC000216163220 416327432 /nfs/dbraw/zinc/32/74/32/416327432.db2.gz HVJSLMDACVGWGK-CYBMUJFWSA-N 0 0 306.362 0.531 50 0 DCAARN C[C@@H]1O[C@H](Nc2ccc(OC(F)(F)F)cc2)[C@H](O)[C@H](O)[C@H]1O ZINC000239309883 416329961 /nfs/dbraw/zinc/32/99/61/416329961.db2.gz HWRAWYGCOWASEC-UOAXWKJLSA-N 0 0 323.267 0.825 50 0 DCAARN O=C(c1cccc(F)c1)N1CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000241446956 416329992 /nfs/dbraw/zinc/32/99/92/416329992.db2.gz NPZHGNDTGQQWBJ-AWEZNQCLSA-N 0 0 305.353 0.862 50 0 DCAARN NC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000239347224 416330045 /nfs/dbraw/zinc/33/00/45/416330045.db2.gz MLZJDHFHGJFLBQ-YPMHNXCESA-N 0 0 301.346 0.516 50 0 DCAARN CN(C)c1noc(CN2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)n1 ZINC000241693893 416330453 /nfs/dbraw/zinc/33/04/53/416330453.db2.gz QIPZPWIZSBIKNV-CHWSQXEVSA-N 0 0 320.397 0.957 50 0 DCAARN Cc1nc(CC(=O)N2CCc3[nH][nH]c(=O)c3CC2)c(C)s1 ZINC000244647135 416330796 /nfs/dbraw/zinc/33/07/96/416330796.db2.gz GVPXHJZISKBWEK-UHFFFAOYSA-N 0 0 306.391 0.946 50 0 DCAARN Cc1cnc(C(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244659679 416330954 /nfs/dbraw/zinc/33/09/54/416330954.db2.gz HHBQVAONDSYKFS-SCDSUCTJSA-N 0 0 301.350 0.761 50 0 DCAARN Nc1nc2c(c(C(=O)NC3CCS(=O)(=O)CC3)n1)CCCC2 ZINC000584890898 416516228 /nfs/dbraw/zinc/51/62/28/416516228.db2.gz JBEDXDIFOOCVRZ-UHFFFAOYSA-N 0 0 324.406 0.245 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)C2(CO)CC2)C1 ZINC000585113624 416519002 /nfs/dbraw/zinc/51/90/02/416519002.db2.gz ZJHMZPDINHYADF-VXGBXAGGSA-N 0 0 318.439 0.325 50 0 DCAARN CCOC(=O)c1cnc(NCCNc2ncccn2)nc1C ZINC000585139825 416520145 /nfs/dbraw/zinc/52/01/45/416520145.db2.gz SCDNCUPEJMYNKK-UHFFFAOYSA-N 0 0 302.338 1.276 50 0 DCAARN Cc1nc(C)c(F)c(NCC2(O)CCS(=O)(=O)CC2)n1 ZINC000607356102 416646213 /nfs/dbraw/zinc/64/62/13/416646213.db2.gz IIRZQBOMKNHWHN-UHFFFAOYSA-N 0 0 303.359 0.584 50 0 DCAARN CCCCC[C@H](C)NC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000408517508 417166945 /nfs/dbraw/zinc/16/69/45/417166945.db2.gz JUYVSVQBJVVNOK-NSHDSACASA-N 0 0 322.413 0.989 50 0 DCAARN CCOC(=O)[C@@H](C)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC000570970148 417409006 /nfs/dbraw/zinc/40/90/06/417409006.db2.gz PRIVDYMJMLHKJX-GFCCVEGCSA-N 0 0 313.398 0.444 50 0 DCAARN CC(=O)N(C)c1ccc(NC(=O)N[C@@H]2CCCN(C)C2=O)cn1 ZINC000529125139 417422202 /nfs/dbraw/zinc/42/22/02/417422202.db2.gz YZCXSXYXBWXFQJ-GFCCVEGCSA-N 0 0 319.365 0.807 50 0 DCAARN COc1ccc(COCC(=O)N2CCO[C@H]3CCOC[C@H]32)cn1 ZINC000627486319 417437343 /nfs/dbraw/zinc/43/73/43/417437343.db2.gz XMRNETXNWIOJEH-KGLIPLIRSA-N 0 0 322.361 0.623 50 0 DCAARN Cc1conc1NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 ZINC000571691847 417452105 /nfs/dbraw/zinc/45/21/05/417452105.db2.gz PTBZMMYOSNABRV-UONOGXRCSA-N 0 0 315.329 1.520 50 0 DCAARN Cc1cc(C)n(CCC(=O)N[C@H]2CCC3N=NC(=O)N3CC2)n1 ZINC000575543625 417538727 /nfs/dbraw/zinc/53/87/27/417538727.db2.gz AXVKUDKLBXTZEC-LBPRGKRZSA-N 0 0 318.381 0.708 50 0 DCAARN COCc1cn(C2CN(C(=O)c3ccc(OC)nc3)C2)nn1 ZINC000575552854 417540206 /nfs/dbraw/zinc/54/02/06/417540206.db2.gz IZKMUSITINNRGQ-UHFFFAOYSA-N 0 0 303.322 0.525 50 0 DCAARN COCCOCC(=O)N1CCC(F)(C(=O)N2CCCC2)CC1 ZINC000575554406 417540267 /nfs/dbraw/zinc/54/02/67/417540267.db2.gz JBQFJGZNZYOKMM-UHFFFAOYSA-N 0 0 316.373 0.603 50 0 DCAARN COc1nc(CNC(=O)c2ccccn2)nc(N2CCCC2)n1 ZINC000575605460 417540275 /nfs/dbraw/zinc/54/02/75/417540275.db2.gz ARPCWODIYPNIAG-UHFFFAOYSA-N 0 0 314.349 0.805 50 0 DCAARN Cn1nccc1-c1cncc(CNC(=O)N2CCNC2=O)c1 ZINC000575614878 417540547 /nfs/dbraw/zinc/54/05/47/417540547.db2.gz ACVHBWDASMQRCI-UHFFFAOYSA-N 0 0 300.322 0.717 50 0 DCAARN CC(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000644571205 417621442 /nfs/dbraw/zinc/62/14/42/417621442.db2.gz HDILTQHCWHGUKH-ILXRZTDVSA-N 0 0 314.426 0.247 50 0 DCAARN C[C@H]1CC[C@H](NC(=O)NCC2=CCOCC2)CS1(=O)=O ZINC000664988046 418166276 /nfs/dbraw/zinc/16/62/76/418166276.db2.gz MFCFJJRIWLWGBS-JQWIXIFHSA-N 0 0 302.396 0.598 50 0 DCAARN Nc1nnc(CCCNC(=O)CCc2nc(Cl)n[nH]2)s1 ZINC000299782800 229435480 /nfs/dbraw/zinc/43/54/80/229435480.db2.gz NLUNSISHUFWDKZ-UHFFFAOYSA-N 0 0 315.790 0.573 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000361810536 261963810 /nfs/dbraw/zinc/96/38/10/261963810.db2.gz DJWSYZZTOYKODC-VIFPVBQESA-N 0 0 301.324 0.117 50 0 DCAARN CCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(CC)c(=O)n1C ZINC000005148175 273683065 /nfs/dbraw/zinc/68/30/65/273683065.db2.gz LSLXOJYLGXOXJO-SECBINFHSA-N 0 0 304.354 0.693 50 0 DCAARN CC[C@@H](C)n1c2c(nc1N1CCN(C)CC1)n(C)c(=O)[nH]c2=O ZINC000000237783 276421654 /nfs/dbraw/zinc/42/16/54/276421654.db2.gz ISBCDRWCQCZASP-SNVBAGLBSA-N 0 0 320.397 0.146 50 0 biogenic DCAARN CN1CCN(C(=O)c2nnn3c2[nH]c(=O)c2ccccc23)CC1 ZINC000033435950 277100905 /nfs/dbraw/zinc/10/09/05/277100905.db2.gz RHAYFCQIIAWRPO-UHFFFAOYSA-N 0 0 312.333 0.371 50 0 DCAARN CN1N=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000005148120 277214035 /nfs/dbraw/zinc/21/40/35/277214035.db2.gz ZTIOYAYJXVAYBN-UHFFFAOYSA-N 0 0 304.354 0.286 50 0 DCAARN CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)CCn1ccnn1 ZINC000347172274 277288361 /nfs/dbraw/zinc/28/83/61/277288361.db2.gz SLXLPZNGUZPSTC-BFHYXJOUSA-N 0 0 308.382 0.711 50 0 DCAARN CC1(C)CN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1C1CC1 ZINC000329539649 278298418 /nfs/dbraw/zinc/29/84/18/278298418.db2.gz CNCIFUOYTGKFOR-ZDUSSCGKSA-N 0 0 300.424 0.364 50 0 DCAARN Cc1cc(C(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)n(C)n1 ZINC000299782711 278639220 /nfs/dbraw/zinc/63/92/20/278639220.db2.gz WCWNAOCDZHDWAA-STQMWFEESA-N 0 0 302.338 0.306 50 0 DCAARN C[C@@H]1CN([C@H]2CCN(c3ccccc3F)C2=O)C[C@@H](C(N)=O)O1 ZINC000229881977 288254190 /nfs/dbraw/zinc/25/41/90/288254190.db2.gz JOZMFILUDJVIFV-SWHYSGLUSA-N 0 0 321.352 0.506 50 0 DCAARN Cc1nc(C(=O)N2CCOCCN2)nn1-c1ccc(F)cc1 ZINC000562964707 288609694 /nfs/dbraw/zinc/60/96/94/288609694.db2.gz MQLAWQKRWAGMRP-UHFFFAOYSA-N 0 0 305.313 0.692 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@]2(C1)c1ccccc1NC2=O ZINC000072121553 289256292 /nfs/dbraw/zinc/25/62/92/289256292.db2.gz GUAQIWDPFHPKKW-AWEZNQCLSA-N 0 0 309.391 0.779 50 0 DCAARN CN(C)[C@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@H]1c1ccccc1 ZINC000091747114 289395669 /nfs/dbraw/zinc/39/56/69/289395669.db2.gz JQOAYQUFXKFWAD-CABCVRRESA-N 0 0 324.446 0.977 50 0 DCAARN CN1CC[NH+](C[C@@H](CC(=O)Nc2ccc(O)cc2)C(=O)[O-])CC1 ZINC000072405993 290044683 /nfs/dbraw/zinc/04/46/83/290044683.db2.gz RGPIUKVLQCAGKR-GFCCVEGCSA-N 0 0 321.377 0.669 50 0 DCAARN Cn1c2cc(Br)c(S(N)(=O)=O)cc2n(C)c1=O ZINC000071372424 294176949 /nfs/dbraw/zinc/17/69/49/294176949.db2.gz JRKBXMIMUAONKY-UHFFFAOYSA-N 0 0 320.168 0.287 50 0 DCAARN COc1cc(OC)c([C@H]2CC3(C)NC(=O)C2C(=O)N3)cc1OC ZINC000062001836 295008121 /nfs/dbraw/zinc/00/81/21/295008121.db2.gz VOFIFANKLPJDHG-VRJDLGRMSA-N 0 0 320.345 0.778 50 0 biogenic DCAARN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCN1CCCCO1 ZINC000055132871 295131508 /nfs/dbraw/zinc/13/15/08/295131508.db2.gz JBNMYJPKXJCSFY-HNNXBMFYSA-N 0 0 317.389 0.843 50 0 DCAARN CS(=O)(=O)CCN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000053140011 295501700 /nfs/dbraw/zinc/50/17/00/295501700.db2.gz WQHYTMVTRZKZEX-CQSZACIVSA-N 0 0 308.359 0.425 50 0 DCAARN O=C(CN1CCOCC1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000331956534 295507725 /nfs/dbraw/zinc/50/77/25/295507725.db2.gz RWFICPJLYPZVRJ-HUUCEWRRSA-N 0 0 308.353 0.792 50 0 DCAARN CS(=O)(=O)NCCNC(=O)N1CCC[C@@H]1C1CCCC1 ZINC000056833472 295528385 /nfs/dbraw/zinc/52/83/85/295528385.db2.gz CJDLTIKBVOMFPE-GFCCVEGCSA-N 0 0 303.428 0.900 50 0 DCAARN Cc1n[nH]c(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)cn21 ZINC000096102019 302476149 /nfs/dbraw/zinc/47/61/49/302476149.db2.gz HSHLJNVAAGOZNY-VIFPVBQESA-N 0 0 310.379 0.894 50 0 DCAARN CNC(=O)NC(=O)CN1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000030588540 331621088 /nfs/dbraw/zinc/62/10/88/331621088.db2.gz DQAUZNKTSNCQFQ-SNVBAGLBSA-N 0 0 323.349 0.008 50 0 DCAARN CN(C)c1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCOCC2)cc1 ZINC000534576730 334287812 /nfs/dbraw/zinc/28/78/12/334287812.db2.gz NOLGDDMPLKFFEL-HOTGVXAUSA-N 0 0 319.405 0.582 50 0 DCAARN CCOc1ccc(S(=O)(=O)N[C@H]2CCCNC2=O)cc1C ZINC000534588234 334292966 /nfs/dbraw/zinc/29/29/66/334292966.db2.gz YUVUSEISICYREO-LBPRGKRZSA-N 0 0 312.391 0.951 50 0 DCAARN COCCn1cncc1CNC(=O)N1CCc2[nH]c(C)nc2C1 ZINC000534590809 334294471 /nfs/dbraw/zinc/29/44/71/334294471.db2.gz DAGZEQOJPVNSAO-UHFFFAOYSA-N 0 0 318.381 0.829 50 0 DCAARN CCS(=O)(=O)NCc1noc(-c2ccc3c(c2)OCO3)n1 ZINC000534634827 334308834 /nfs/dbraw/zinc/30/88/34/334308834.db2.gz LEZZGGJLXSQEFR-UHFFFAOYSA-N 0 0 311.319 0.905 50 0 DCAARN CCCn1ccnc1CNS(=O)(=O)N1CCC[C@H]1COC ZINC000534636759 334309366 /nfs/dbraw/zinc/30/93/66/334309366.db2.gz VCIKOFXQHBQHES-LBPRGKRZSA-N 0 0 316.427 0.738 50 0 DCAARN C[C@@H]1Cc2ccccc2N1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000243670430 534076270 /nfs/dbraw/zinc/07/62/70/534076270.db2.gz PDQUWKHJGGEGEP-YPMHNXCESA-N 0 0 308.403 0.741 50 0 DCAARN Cc1ccccc1CCC(=O)N1CC(N2C(=O)CNC2=O)C1 ZINC000244950854 518190902 /nfs/dbraw/zinc/19/09/02/518190902.db2.gz FORITGGPRIPONA-UHFFFAOYSA-N 0 0 301.346 0.690 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(C)ns1 ZINC000266620472 520523064 /nfs/dbraw/zinc/52/30/64/520523064.db2.gz FTYSSKLETCCXGU-SECBINFHSA-N 0 0 318.424 0.989 50 0 DCAARN CN(C(=O)[C@@H]1COCCN1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000237281374 523899887 /nfs/dbraw/zinc/89/98/87/523899887.db2.gz LXDUBAUSOCNYRD-GXTWGEPZSA-N 0 0 321.352 0.378 50 0 DCAARN COc1ccc(S(=O)(=O)NC[C@@]2(O)CCOC2)cc1Cl ZINC000229633434 525062183 /nfs/dbraw/zinc/06/21/83/525062183.db2.gz JKVAXBPPUYLEIE-LBPRGKRZSA-N 0 0 321.782 0.778 50 0 DCAARN CC1(C)SC[C@@H](C(=O)NCCc2noc(C3CC3)n2)NC1=O ZINC000299787502 527818030 /nfs/dbraw/zinc/81/80/30/527818030.db2.gz MOFGONHBQNTKNQ-VIFPVBQESA-N 0 0 324.406 0.616 50 0 DCAARN CCNC(=O)[C@@H](C)NS(=O)(=O)CCOCc1ccccc1 ZINC000295721505 528193998 /nfs/dbraw/zinc/19/39/98/528193998.db2.gz HAWHUPRFRUYGBD-GFCCVEGCSA-N 0 0 314.407 0.647 50 0 DCAARN CC(C)n1ncc2c1C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)CC2 ZINC000330835342 528654390 /nfs/dbraw/zinc/65/43/90/528654390.db2.gz WLTIZDAYUARVBY-JQWIXIFHSA-N 0 0 313.423 0.871 50 0 DCAARN Cc1cc(N2CCCC2)n2nc(CN3CCN(C)CC3)nc2n1 ZINC000065311528 545659187 /nfs/dbraw/zinc/65/91/87/545659187.db2.gz OSWMSDKREVCQAU-UHFFFAOYSA-N 0 0 315.425 0.780 50 0 DCAARN O=C(NCCNc1ncccn1)N[C@H]1c2ccccc2C[C@H]1O ZINC000084579417 545702503 /nfs/dbraw/zinc/70/25/03/545702503.db2.gz GICJFOVGVPMUKG-KGLIPLIRSA-N 0 0 313.361 0.846 50 0 DCAARN C[C@@H](CC(=O)OCC(=O)N1CCNC(=O)C1)c1ccncc1 ZINC000084636930 545703081 /nfs/dbraw/zinc/70/30/81/545703081.db2.gz ZDWPEPKPFMSCRT-NSHDSACASA-N 0 0 305.334 0.077 50 0 DCAARN CCN(C(=O)CN1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O)C1CC1 ZINC000084761090 545703991 /nfs/dbraw/zinc/70/39/91/545703991.db2.gz HNHBELBCHHJCPF-INIZCTEOSA-N 0 0 322.409 0.402 50 0 DCAARN O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCc2[nH]cnc2C1 ZINC000096150082 545728849 /nfs/dbraw/zinc/72/88/49/545728849.db2.gz LFMULHJIVKTUAY-HNNXBMFYSA-N 0 0 323.360 0.765 50 0 DCAARN Cc1nnc(CNC(=O)[C@@H](C)c2n[nH]c(=O)c3ccccc32)[nH]1 ZINC000215953193 545938965 /nfs/dbraw/zinc/93/89/65/545938965.db2.gz JRRFGWNYWLPSGC-QMMMGPOBSA-N 0 0 312.333 0.770 50 0 DCAARN Cc1nonc1CC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000215982381 545939103 /nfs/dbraw/zinc/93/91/03/545939103.db2.gz OOXKJXBVQVWPPX-UHFFFAOYSA-N 0 0 313.317 0.816 50 0 DCAARN O=C(CN1CCOC1=O)NCCc1nc(-c2ccccn2)no1 ZINC000222717304 545942218 /nfs/dbraw/zinc/94/22/18/545942218.db2.gz KPVFWCOGPUQIJY-UHFFFAOYSA-N 0 0 317.305 0.243 50 0 DCAARN CC(C)O[C@]1(CS(=O)(=O)N(C)c2ccn(C)n2)CCOC1 ZINC000585094246 546303471 /nfs/dbraw/zinc/30/34/71/546303471.db2.gz WBWBYXVHWHNGCC-CYBMUJFWSA-N 0 0 317.411 0.770 50 0 DCAARN CN(Cc1nncn1C)Cc1cc(=O)n2cccc(O)c2n1 ZINC000670430019 547086059 /nfs/dbraw/zinc/08/60/59/547086059.db2.gz VWTYTRUUKUJVKV-UHFFFAOYSA-N 0 0 300.322 0.161 50 0 DCAARN CO[C@H]1CN(CC(=O)NCCc2ccc(Cl)cc2)C[C@@H]1O ZINC000670436805 547089548 /nfs/dbraw/zinc/08/95/48/547089548.db2.gz RGNAGNFUXUGNDL-KBPBESRZSA-N 0 0 312.797 0.690 50 0 DCAARN Cc1nn2c([n-]1)nc(C[N@H+](C)CCCn1cccn1)cc2=O ZINC000670439680 547091270 /nfs/dbraw/zinc/09/12/70/547091270.db2.gz DTJKLHULCSYNIF-UHFFFAOYSA-N 0 0 301.354 0.857 50 0 DCAARN CCCc1nc(N2CCC3(CC2)C(=O)N(C)C(=O)N3C)no1 ZINC000670454583 547098106 /nfs/dbraw/zinc/09/81/06/547098106.db2.gz MVEPKBKVXRQDOY-UHFFFAOYSA-N 0 0 307.354 0.885 50 0 DCAARN Cc1ccc(NCCCNC(=O)CN2CCC[C@@H](O)C2)nc1 ZINC000670461039 547098743 /nfs/dbraw/zinc/09/87/43/547098743.db2.gz OFMRZRYFLRDOCL-CQSZACIVSA-N 0 0 306.410 0.765 50 0 DCAARN CCCN1C[C@@H](NS(=O)(=O)c2cnn(CC)c2)CC1=O ZINC000670462907 547099243 /nfs/dbraw/zinc/09/92/43/547099243.db2.gz UJNOSLFRRCLQFT-JTQLQIEISA-N 0 0 300.384 0.192 50 0 DCAARN CCNS(=O)(=O)[C@@H]1CCN(c2nc(C)nc(C)c2F)C1 ZINC000678408199 547973201 /nfs/dbraw/zinc/97/32/01/547973201.db2.gz DUWMJNOWDHMULK-SNVBAGLBSA-N 0 0 302.375 0.751 50 0 DCAARN CCc1cncc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)c1 ZINC000685942473 548747767 /nfs/dbraw/zinc/74/77/67/548747767.db2.gz RGSYWGBJJPJTOX-UONOGXRCSA-N 0 0 302.334 0.943 50 0 DCAARN CCn1cc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)c(C)n1 ZINC000685942214 548748197 /nfs/dbraw/zinc/74/81/97/548748197.db2.gz MEZQDTWXKZRXCG-QWHCGFSZSA-N 0 0 305.338 0.511 50 0 DCAARN COCCNC(=O)N[C@@H]1COCC[C@H]1OCc1ccccn1 ZINC000222303275 563724430 /nfs/dbraw/zinc/72/44/30/563724430.db2.gz OZCCDFULFWWKSD-ZIAGYGMSSA-N 0 0 309.366 0.701 50 0 DCAARN CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1nc(N)nc(N(C)C)n1 ZINC000328600284 563960445 /nfs/dbraw/zinc/96/04/45/563960445.db2.gz WOURVIBIAFBURU-SECBINFHSA-N 0 0 321.385 0.347 50 0 DCAARN CN1C(=O)C[C@H](CNC(=O)CN2CCOC2=O)c2ccccc21 ZINC000217109930 568416198 /nfs/dbraw/zinc/41/61/98/568416198.db2.gz WTAHKCJNQSHTPW-LLVKDONJSA-N 0 0 317.345 0.705 50 0 DCAARN O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1c[nH]c(=O)[nH]1 ZINC000238849135 665490603 /nfs/dbraw/zinc/49/06/03/665490603.db2.gz JAYIZHLQIBJCND-MGCOHNPYSA-N 0 0 303.322 0.613 50 0 DCAARN Cc1ncn(CC(=O)N[C@@H](Cn2nccn2)C(C)C)c(=O)c1C ZINC000238877503 665494179 /nfs/dbraw/zinc/49/41/79/665494179.db2.gz OKRHOGHBJKVIAW-ZDUSSCGKSA-N 0 0 318.381 0.293 50 0 DCAARN O=C(Cn1ccnc1)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O ZINC000299788450 659645572 /nfs/dbraw/zinc/64/55/72/659645572.db2.gz SPJDSXDEWGAHCR-HUUCEWRRSA-N 0 0 315.377 0.030 50 0 DCAARN CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2c[nH]c(CC)n2)C1 ZINC000952966498 665829382 /nfs/dbraw/zinc/82/93/82/665829382.db2.gz HZZFELUCDYPLAJ-SECBINFHSA-N 0 0 300.384 0.119 50 0 DCAARN CCOC(=O)c1nc[nH]c1CNc1ncncc1C(=O)OC ZINC000952995790 665879378 /nfs/dbraw/zinc/87/93/78/665879378.db2.gz YVMCHJRSVDLIME-UHFFFAOYSA-N 0 0 305.294 0.775 50 0 DCAARN CCS(=O)(=O)NCCNC(=O)c1ccccc1-c1cn[nH]c1 ZINC000585089277 662947739 /nfs/dbraw/zinc/94/77/39/662947739.db2.gz APJNUEIFYJOKDM-UHFFFAOYSA-N 0 0 322.390 0.746 50 0 DCAARN Cc1nc2c(c(=O)[nH]1)CN(S(=O)(=O)N(C)[C@H](C)C1CC1)C2 ZINC000874434880 665175203 /nfs/dbraw/zinc/17/52/03/665175203.db2.gz GSYYUSGOWYGJJW-MRVPVSSYSA-N 0 0 312.395 0.781 50 0 DCAARN CN1C(=O)CN(C2CCN(C(=O)NC3CCOCC3)CC2)C1=O ZINC000827911132 668139160 /nfs/dbraw/zinc/13/91/60/668139160.db2.gz HNGKJVLFLOGNEO-UHFFFAOYSA-N 0 0 324.381 0.233 50 0 DCAARN Cc1cc(Cc2noc(CN3CCCC[C@@H](O)C3=O)n2)no1 ZINC000818384602 671012683 /nfs/dbraw/zinc/01/26/83/671012683.db2.gz LQJVHPVZBJKNRM-LLVKDONJSA-N 0 0 306.322 0.830 50 0 DCAARN CCC(=O)NCC(=O)Nc1ccc(NC(=O)COC)c(OC)c1 ZINC000952964998 685598401 /nfs/dbraw/zinc/59/84/01/685598401.db2.gz CHPOWUCKZLPFDX-UHFFFAOYSA-N 0 0 323.349 0.745 50 0 DCAARN CN(CCCCN1CCOCC1)C(=O)/C=C/c1cnc(N)nc1 ZINC000952967583 685598880 /nfs/dbraw/zinc/59/88/80/685598880.db2.gz LFVFCVRVRZTWOX-SNAWJCMRSA-N 0 0 319.409 0.643 50 0 DCAARN Nc1nnnn1CC(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000952969761 685598938 /nfs/dbraw/zinc/59/89/38/685598938.db2.gz JQSRBNGYSPZWAK-CHWSQXEVSA-N 0 0 316.365 0.340 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H](CNC(=O)C2CCOCC2)C1 ZINC000952967923 685599005 /nfs/dbraw/zinc/59/90/05/685599005.db2.gz DNKGDCICFCBIFT-NSHDSACASA-N 0 0 304.412 0.201 50 0 DCAARN O=C(CCN1CCCCCC1=O)N1CCC2(CNC(=O)O2)CC1 ZINC000952989665 685602640 /nfs/dbraw/zinc/60/26/40/685602640.db2.gz SHZGTOLJUIBKMZ-UHFFFAOYSA-N 0 0 323.393 0.880 50 0 DCAARN Cc1cc(N)n(CC(=O)NCCSCc2[nH]cnc2C)n1 ZINC000952975097 685600241 /nfs/dbraw/zinc/60/02/41/685600241.db2.gz LWZKPWBZDOCQCG-UHFFFAOYSA-N 0 0 308.411 0.855 50 0 DCAARN CC(C)c1nnsc1CNC(=O)CN1C(=O)CN(C)C1=O ZINC000952991039 685602664 /nfs/dbraw/zinc/60/26/64/685602664.db2.gz OHYCAHKEUXGOIM-UHFFFAOYSA-N 0 0 311.367 0.172 50 0 DCAARN O=C(NCC1CCN(c2cc(=O)[nH]cn2)CC1)c1cnccn1 ZINC000952982819 685601793 /nfs/dbraw/zinc/60/17/93/685601793.db2.gz MSJGADAOFHFUMJ-UHFFFAOYSA-N 0 0 314.349 0.619 50 0 DCAARN Cc1cc(C)nc(CNC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)n1 ZINC000952984424 685601887 /nfs/dbraw/zinc/60/18/87/685601887.db2.gz TUZPKLUZFRZNMM-UHFFFAOYSA-N 0 0 303.322 0.462 50 0 DCAARN COc1ncc(C)cc1NC(=O)N[C@@H](CO)CC1OCCO1 ZINC000952994433 685603547 /nfs/dbraw/zinc/60/35/47/685603547.db2.gz UZYFORRHLYYZOV-SNVBAGLBSA-N 0 0 311.338 0.644 50 0 DCAARN COc1ccccc1CN1CCN2C(=O)CN(C)C(=O)[C@H]2C1 ZINC000014748387 685049202 /nfs/dbraw/zinc/04/92/02/685049202.db2.gz BHLKHNRRMYAXPH-CYBMUJFWSA-N 0 0 303.362 0.180 50 0 DCAARN Nc1nnc(CCCNc2nccc(N3CC[C@H](O)C3)n2)s1 ZINC000065395609 685062801 /nfs/dbraw/zinc/06/28/01/685062801.db2.gz QIPKEMUKDNCYRG-VIFPVBQESA-N 0 0 321.410 0.526 50 0 DCAARN CCN1C(=O)NC(=O)C12CCN(c1nnc(C3CC3)o1)CC2 ZINC000095381957 685111833 /nfs/dbraw/zinc/11/18/33/685111833.db2.gz HVSDPNZQHCXFBV-UHFFFAOYSA-N 0 0 305.338 0.858 50 0 DCAARN O=C(c1ccccc1-n1cncn1)N1CCC([C@H](O)CO)CC1 ZINC001772700835 1157840598 /nfs/dbraw/zinc/84/05/98/1157840598.db2.gz IZRRBMVCROOFCG-OAHLLOKOSA-N 0 0 316.361 0.473 50 0 DCAARN NC(=O)Cc1nc(-c2cc(C3CC3)no2)n([C@H]2CCOC2)n1 ZINC001772702264 1157841370 /nfs/dbraw/zinc/84/13/70/1157841370.db2.gz CIZJDWKJMPKRTF-VIFPVBQESA-N 0 0 303.322 0.800 50 0 DCAARN COc1cccc(OC[C@@H](O)CNc2nnc(CN(C)C)o2)c1 ZINC001772702491 1157841466 /nfs/dbraw/zinc/84/14/66/1157841466.db2.gz WIIQHILUFXYFPI-NSHDSACASA-N 0 0 322.365 0.992 50 0 DCAARN O=C(CCc1cc(Cl)no1)N1CCC([C@@H](O)CO)CC1 ZINC001772711119 1157848233 /nfs/dbraw/zinc/84/82/33/1157848233.db2.gz WLSLUAMXTIKOHE-NSHDSACASA-N 0 0 302.758 0.852 50 0 DCAARN O=C(c1n[nH]c2c1CCC2)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704299194 1179964231 /nfs/dbraw/zinc/96/42/31/1179964231.db2.gz OGUQUNDRLVKLOC-QMTHXVAHSA-N 0 0 313.361 0.364 50 0 DCAARN O=C(Cc1ccccc1O)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704302069 1179965755 /nfs/dbraw/zinc/96/57/55/1179965755.db2.gz APNKCVKJIMHQDH-CZUORRHYSA-N 0 0 313.357 0.787 50 0 DCAARN COc1cc(OC)nc(N2C[C@H](O)[C@H](Cc3cc(C)no3)C2)n1 ZINC001704325294 1179973479 /nfs/dbraw/zinc/97/34/79/1179973479.db2.gz HJPGQJNYRKRSKA-PWSUYJOCSA-N 0 0 320.349 0.830 50 0 DCAARN Cc1ccc2[nH]c(CN(C)Cc3noc(C(N)=O)n3)nc2c1 ZINC001704349104 1179982137 /nfs/dbraw/zinc/98/21/37/1179982137.db2.gz ZMLLDJMBRUXXGC-UHFFFAOYSA-N 0 0 300.322 0.985 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)CCc3ccnn3C)C[C@H]2O)[nH]n1 ZINC001704352849 1179983080 /nfs/dbraw/zinc/98/30/80/1179983080.db2.gz KCUOZXBTCLTWPE-IUODEOHRSA-N 0 0 317.393 0.446 50 0 DCAARN COCC(=O)N1CCC[C@](F)(C(=O)NCc2ccncc2)C1 ZINC000675020201 748027437 /nfs/dbraw/zinc/02/74/37/748027437.db2.gz CQQMBRGVPGRCRL-OAHLLOKOSA-N 0 0 309.341 0.675 50 0 DCAARN Cc1ncoc1C(=O)N(CCN1CCOCC1)C1CCOCC1 ZINC000675022473 748028396 /nfs/dbraw/zinc/02/83/96/748028396.db2.gz PLDKPQRHOYDCQL-UHFFFAOYSA-N 0 0 323.393 0.936 50 0 DCAARN Cc1nc(CCNC(=O)[C@@H](C)Cn2cncn2)nc2c1CCC2 ZINC000820632067 758149537 /nfs/dbraw/zinc/14/95/37/758149537.db2.gz WUXIHOQAYKAKRH-NSHDSACASA-N 0 0 314.393 0.860 50 0 DCAARN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](O)C2 ZINC000821508389 758174555 /nfs/dbraw/zinc/17/45/55/758174555.db2.gz PTSWUPJCDCPXLI-GFCCVEGCSA-N 0 0 307.394 0.861 50 0 DCAARN CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2cn(CC)nc2C)C1 ZINC000823123374 758227062 /nfs/dbraw/zinc/22/70/62/758227062.db2.gz RMAHDVDICWRUSI-LLVKDONJSA-N 0 0 314.411 0.358 50 0 DCAARN Cc1ccc(S(=O)(=O)NC[C@@H]2CN(C)C(=O)CO2)c(F)c1 ZINC000825159718 758798585 /nfs/dbraw/zinc/79/85/85/758798585.db2.gz OVSULQFKKZLLSN-SNVBAGLBSA-N 0 0 316.354 0.270 50 0 DCAARN C[C@@H](Cn1cncn1)C(=O)NCc1nc2ccccc2c(=O)[nH]1 ZINC000827628044 758872071 /nfs/dbraw/zinc/87/20/71/758872071.db2.gz MNSJNEDITFTYHM-JTQLQIEISA-N 0 0 312.333 0.879 50 0 DCAARN Cc1nc(N)sc1CC(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000828710824 759072351 /nfs/dbraw/zinc/07/23/51/759072351.db2.gz KCBLYXQBYQPVAL-NSHDSACASA-N 0 0 312.439 0.539 50 0 DCAARN Cc1nc(N)sc1CC(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000828710823 759072711 /nfs/dbraw/zinc/07/27/11/759072711.db2.gz KCBLYXQBYQPVAL-LLVKDONJSA-N 0 0 312.439 0.539 50 0 DCAARN CS(=O)(=O)N(Cc1ccncc1)C1CN(C(=O)C2CCC2)C1 ZINC000581776400 760248014 /nfs/dbraw/zinc/24/80/14/760248014.db2.gz OOYSTKIKJQCKAX-UHFFFAOYSA-N 0 0 323.418 0.854 50 0 DCAARN COCCN1C[C@@H]2CN(C(=O)Cc3ccccc3)C[C@H](C1)O2 ZINC000581782229 760249925 /nfs/dbraw/zinc/24/99/25/760249925.db2.gz CZBDURQDOMIQPU-IYBDPMFKSA-N 0 0 304.390 0.787 50 0 DCAARN Cc1cc(C)nc(O[C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 ZINC000585340014 768080786 /nfs/dbraw/zinc/08/07/86/768080786.db2.gz MDHOTAXOPNFJKI-LBPRGKRZSA-N 0 0 314.411 0.743 50 0 DCAARN COCC(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn21 ZINC000584908880 766237712 /nfs/dbraw/zinc/23/77/12/766237712.db2.gz PJFGXWFUEYZRLF-CQSZACIVSA-N 0 0 302.334 0.289 50 0 DCAARN CCCC[C@@](C)(CO)NC(=O)[C@@H](CC(=O)OC)NC(C)=O ZINC000585112900 766283060 /nfs/dbraw/zinc/28/30/60/766283060.db2.gz HHCYWLCKANJIAA-RISCZKNCSA-N 0 0 302.371 0.112 50 0 DCAARN O=S(=O)(c1cnc2ccsc2c1)N1CCOC[C@H]1CO ZINC000585115263 766283969 /nfs/dbraw/zinc/28/39/69/766283969.db2.gz TTWUJCUASSJCKM-SECBINFHSA-N 0 0 314.388 0.678 50 0 DCAARN COC(=O)c1c(C)nn(C)c1NC(=O)COC[C@H]1CCCO1 ZINC000585126164 766289170 /nfs/dbraw/zinc/28/91/70/766289170.db2.gz QRHCVTXHPITCBP-SNVBAGLBSA-N 0 0 311.338 0.649 50 0 DCAARN Nc1nc2c(c(C(=O)NCc3nnc4n3CCC4)n1)CCCC2 ZINC000952868977 768925439 /nfs/dbraw/zinc/92/54/39/768925439.db2.gz CQZAVSCUHAHOIC-UHFFFAOYSA-N 0 0 313.365 0.405 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](CNC(=O)C2CCOCC2)C1 ZINC000952871681 768933454 /nfs/dbraw/zinc/93/34/54/768933454.db2.gz AXWXIMYMAVPQBN-LBPRGKRZSA-N 0 0 318.439 0.591 50 0 DCAARN C[C@@]1(CO)C[C@@H](O)CN1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000864096490 775753925 /nfs/dbraw/zinc/75/39/25/775753925.db2.gz AWVODLIYGPVBKH-ABAIWWIYSA-N 0 0 308.334 0.807 50 0 DCAARN Cc1nc(CN2C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C2)cs1 ZINC001529104349 1014496232 /nfs/dbraw/zinc/49/62/32/1014496232.db2.gz OCFUBRLAJSHZMI-CMPLNLGQSA-N 0 0 319.452 0.136 50 0 DCAARN O=C(CN1CCOC1=O)N[C@@H]1COC[C@H]1Cc1ccncc1 ZINC001529144011 1014504497 /nfs/dbraw/zinc/50/44/97/1014504497.db2.gz BKHARDIJRCXAGI-CHWSQXEVSA-N 0 0 305.334 0.208 50 0 DCAARN Cc1nc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)cs1 ZINC001529180449 1014513871 /nfs/dbraw/zinc/51/38/71/1014513871.db2.gz JAAIFYDMEMYVCD-ZWNOBZJWSA-N 0 0 304.375 0.917 50 0 DCAARN CN(CC1(C)COC1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC001529192630 1014517766 /nfs/dbraw/zinc/51/77/66/1014517766.db2.gz YUYKLIULTARBJX-CABCVRRESA-N 0 0 318.373 0.738 50 0 DCAARN CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ccsc2)C[C@@H]1O ZINC001529196813 1014519873 /nfs/dbraw/zinc/51/98/73/1014519873.db2.gz HVQCBOAQSBSBIU-QWRGUYRKSA-N 0 0 318.420 0.072 50 0 DCAARN O=C([C@@H]1CC(=O)OC12CCCC2)N1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC001506405545 1017255510 /nfs/dbraw/zinc/25/55/10/1017255510.db2.gz BGYXTUQWBRZHDR-VJTDZRGJSA-N 0 0 323.389 0.453 50 0 DCAARN CN1C[C@@H](CNC(=O)/C=C/c2cc(CO)cs2)OCC1=O ZINC001506408036 1017259030 /nfs/dbraw/zinc/25/90/30/1017259030.db2.gz UZRGCRNGHIPZMQ-KXMPLOMGSA-N 0 0 310.375 0.227 50 0 DCAARN COCCn1cnnc1[C@@H](C)Nc1nnnn1-c1ccccc1 ZINC001506421052 1017266993 /nfs/dbraw/zinc/26/69/93/1017266993.db2.gz DSJCCUXPMDYSIJ-LLVKDONJSA-N 0 0 314.353 0.495 50 0 DCAARN COC[C@H]1CCCN(S(=O)(=O)NCc2cc(C)no2)C1 ZINC001506421461 1017267140 /nfs/dbraw/zinc/26/71/40/1017267140.db2.gz GLWKNDKZYUPJHQ-NSHDSACASA-N 0 0 303.384 0.676 50 0 DCAARN O=C(CCNc1ncccn1)Nc1n[nH]c([C@H]2CCCO2)n1 ZINC000095478127 185373394 /nfs/dbraw/zinc/37/33/94/185373394.db2.gz YWXJAODYWWCRBX-SECBINFHSA-N 0 0 303.326 0.887 50 0 DCAARN COCC(=O)N1CCC[C@H](C(=O)N2CC(c3cccnc3)C2)C1 ZINC000095499939 185374777 /nfs/dbraw/zinc/37/47/77/185374777.db2.gz VRKHVFNZKMGHIE-AWEZNQCLSA-N 0 0 317.389 0.892 50 0 DCAARN CCC[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1NC(C)=O ZINC000095506025 185375667 /nfs/dbraw/zinc/37/56/67/185375667.db2.gz CBMODACQYSNGFZ-VXGBXAGGSA-N 0 0 316.365 0.501 50 0 DCAARN NC(=O)CCC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000095508783 185375850 /nfs/dbraw/zinc/37/58/50/185375850.db2.gz PWBQZZTVXSEGKX-MLGOLLRUSA-N 0 0 304.346 0.249 50 0 DCAARN COc1cccc2c1OC[C@@H](CNC(=O)CN1CCOC1=O)C2 ZINC000095511442 185376334 /nfs/dbraw/zinc/37/63/34/185376334.db2.gz FHTQQSQOFJBFNC-LLVKDONJSA-N 0 0 320.345 0.815 50 0 DCAARN Cc1csc(S(=O)(=O)CC(=O)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000076926149 185056029 /nfs/dbraw/zinc/05/60/29/185056029.db2.gz RFSGEZLJRXRRPV-AOOOYVTPSA-N 0 0 318.420 0.861 50 0 DCAARN CO[C@H]1CCCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000095524049 185377725 /nfs/dbraw/zinc/37/77/25/185377725.db2.gz KUQHDKJTILDHOB-NSHDSACASA-N 0 0 313.379 0.977 50 0 DCAARN Cc1cnn(CCC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000079001320 185144553 /nfs/dbraw/zinc/14/45/53/185144553.db2.gz BCWKWDJNUSEGNP-AWEZNQCLSA-N 0 0 320.393 0.431 50 0 DCAARN O=C(CSCC(=O)N1CCOCC1)N1C[C@H]2CCC[C@@H]2C1 ZINC000079093769 185156990 /nfs/dbraw/zinc/15/69/90/185156990.db2.gz RSBZWSIVZNBFMP-CHWSQXEVSA-N 0 0 312.435 0.837 50 0 DCAARN COCCNC(=O)Cn1nc(N2CCC(C)CC2)ccc1=O ZINC000079483847 185173641 /nfs/dbraw/zinc/17/36/41/185173641.db2.gz BNPZTUHHCJUEKB-UHFFFAOYSA-N 0 0 308.382 0.242 50 0 DCAARN Cc1nc([C@@H]2CCCN(C(=O)CN3CCOC3=O)C2)cc(=O)[nH]1 ZINC000082157385 185174028 /nfs/dbraw/zinc/17/40/28/185174028.db2.gz PKHUGRFKYLQWJQ-LLVKDONJSA-N 0 0 320.349 0.237 50 0 DCAARN NS(=O)(=O)c1ccc(F)c(C(=O)NCC(F)(F)F)c1 ZINC000087954890 185237689 /nfs/dbraw/zinc/23/76/89/185237689.db2.gz CIQQQBSCAJWILZ-UHFFFAOYSA-N 0 0 300.233 0.765 50 0 DCAARN CCC1(CC)NC(=O)N(CC(=O)O[C@@H]2C[C@@H](C)OC2=O)C1=O ZINC000089948075 185270916 /nfs/dbraw/zinc/27/09/16/185270916.db2.gz RIMUZEBPNCMIFA-RKDXNWHRSA-N 0 0 312.322 0.344 50 0 DCAARN CCCC[C@H]1C(=O)N(C)CCN1C(=O)CCc1nnc(C)[nH]1 ZINC000082098226 192355726 /nfs/dbraw/zinc/35/57/26/192355726.db2.gz YHJIYSNWLAYEMV-LBPRGKRZSA-N 0 0 307.398 0.905 50 0 DCAARN O=C(CCc1ccccn1)N1CCN(CCn2cncn2)CC1 ZINC000082106665 192356524 /nfs/dbraw/zinc/35/65/24/192356524.db2.gz FIGHTOPCLYTOCE-UHFFFAOYSA-N 0 0 314.393 0.450 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)NCCSc1c[nH]nn1 ZINC000082109394 192357939 /nfs/dbraw/zinc/35/79/39/192357939.db2.gz DRBZWZWCKXEZEA-UHFFFAOYSA-N 0 0 308.411 0.996 50 0 DCAARN Nc1ccnc(N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)n1 ZINC000082125739 192359957 /nfs/dbraw/zinc/35/99/57/192359957.db2.gz ICIIIJXFGFSQFM-HNNXBMFYSA-N 0 0 305.382 0.260 50 0 DCAARN COc1cccc(N2CCN(C(=O)c3nc[nH]n3)CC2=O)c1 ZINC000082134937 192360832 /nfs/dbraw/zinc/36/08/32/192360832.db2.gz XAEYUICBOLIFME-UHFFFAOYSA-N 0 0 301.306 0.302 50 0 DCAARN CCOC(=O)c1c(C)oc2nc(CN(C)CCO)[nH]c(=O)c21 ZINC000095409589 185357023 /nfs/dbraw/zinc/35/70/23/185357023.db2.gz HTNWRTYLMRMBLV-UHFFFAOYSA-N 0 0 309.322 0.838 50 0 DCAARN Cc1nn(C)c2c1ncnc2N1CCN(C(=O)C(C)C)CC1 ZINC000028557375 282278283 /nfs/dbraw/zinc/27/82/83/282278283.db2.gz UIYUWOFXBSEVMT-UHFFFAOYSA-N 0 0 302.382 0.976 50 0 DCAARN Cn1ccnc1C[C@@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C)C2)C1 ZINC000095424943 185361434 /nfs/dbraw/zinc/36/14/34/185361434.db2.gz LXMKEDLGRWSKNS-STQMWFEESA-N 0 0 319.409 0.615 50 0 DCAARN C[C@@H](C(=O)NCc1ccn(C)n1)N1C(=O)NC2(CCCC2)C1=O ZINC000095451831 185369293 /nfs/dbraw/zinc/36/92/93/185369293.db2.gz UGCQJLFQUORLSN-JTQLQIEISA-N 0 0 319.365 0.289 50 0 DCAARN CCN1CCN(C(=O)[C@H](C)N(C)CCNC(=O)C(C)C)CC1 ZINC000095453479 185369528 /nfs/dbraw/zinc/36/95/28/185369528.db2.gz GEZOYTNKIZYGAB-AWEZNQCLSA-N 0 0 312.458 0.243 50 0 DCAARN Cc1nnc(CN2CCN(C(=O)C3=C(C)OCCC3)CC2)[nH]1 ZINC000095439545 185366067 /nfs/dbraw/zinc/36/60/67/185366067.db2.gz NBWXLIBTCUHMJT-UHFFFAOYSA-N 0 0 305.382 0.842 50 0 DCAARN Cn1cnn(CC(=O)NC[C@@H](O)c2ccc(Cl)s2)c1=O ZINC000095457387 185370473 /nfs/dbraw/zinc/37/04/73/185370473.db2.gz GYGXFAGPRHOZTG-SSDOTTSWSA-N 0 0 316.770 0.147 50 0 DCAARN CN1C[C@H](COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)CC1=O ZINC000095459251 185370536 /nfs/dbraw/zinc/37/05/36/185370536.db2.gz PJOOWHIGGACNQQ-RULNRJAQSA-N 0 0 312.391 0.462 50 0 DCAARN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCCO ZINC000097024397 185398801 /nfs/dbraw/zinc/39/88/01/185398801.db2.gz INENRWSNMFAPFY-ZDUSSCGKSA-N 0 0 311.357 0.902 50 0 DCAARN CCCOC(=O)CCCCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000095469494 185372458 /nfs/dbraw/zinc/37/24/58/185372458.db2.gz NUPYTKXITDSLEC-UHFFFAOYSA-N 0 0 308.338 0.616 50 0 DCAARN CNC(=O)c1ccc(OCc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000048311394 190676634 /nfs/dbraw/zinc/67/66/34/190676634.db2.gz 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/nfs/dbraw/zinc/02/21/57/191022157.db2.gz JFWCMXLIWJGUSB-SECBINFHSA-N 0 0 320.374 0.497 50 0 DCAARN CCc1nc(C)c(C(=O)N2CCc3c(nc(N)[nH]c3=O)C2)o1 ZINC000072140054 191048005 /nfs/dbraw/zinc/04/80/05/191048005.db2.gz GXGANSUVCUXMII-UHFFFAOYSA-N 0 0 303.322 0.409 50 0 DCAARN Cn1ccc(NC(=O)CN2CCC[C@@]3(CNC(=O)O3)CC2)n1 ZINC000072125468 191041737 /nfs/dbraw/zinc/04/17/37/191041737.db2.gz POHVJFTXPYCWBM-AWEZNQCLSA-N 0 0 307.354 0.323 50 0 DCAARN Cc1ccc(C(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)c(=O)[nH]1 ZINC000072132140 191044319 /nfs/dbraw/zinc/04/43/19/191044319.db2.gz BPSDOFZSNKIPFB-HNNXBMFYSA-N 0 0 305.334 0.740 50 0 DCAARN CN1C[C@]2(CCN(CC(=O)NCc3ccccc3)C2)OC1=O ZINC000072143943 191050622 /nfs/dbraw/zinc/05/06/22/191050622.db2.gz KMKJNSCUUJJRRE-INIZCTEOSA-N 0 0 303.362 0.829 50 0 DCAARN O=C(CO)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000072148258 191053943 /nfs/dbraw/zinc/05/39/43/191053943.db2.gz SHCCTVZOVPWVIC-CQSZACIVSA-N 0 0 321.396 0.931 50 0 DCAARN O=C(c1ccc(Cn2cccn2)o1)N1CCC[C@@](O)(CO)CC1 ZINC000072153617 191058281 /nfs/dbraw/zinc/05/82/81/191058281.db2.gz ZOTAMQGFAIONDH-INIZCTEOSA-N 0 0 319.361 0.874 50 0 DCAARN Cc1ccn(-c2ccc(NCCNC(=O)c3cnccn3)nn2)n1 ZINC000072140637 191048553 /nfs/dbraw/zinc/04/85/53/191048553.db2.gz HXAKLASNWZWGPR-UHFFFAOYSA-N 0 0 324.348 0.603 50 0 DCAARN O=S(=O)(NCc1ccccc1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000072163167 191063491 /nfs/dbraw/zinc/06/34/91/191063491.db2.gz PNKYIVHVVNYFHQ-CYBMUJFWSA-N 0 0 306.391 0.891 50 0 DCAARN CC(C)N1C[C@@H](C(=O)N2CCC[C@H](n3cncn3)C2)CC1=O ZINC000072234836 191079531 /nfs/dbraw/zinc/07/95/31/191079531.db2.gz JNVUMQDKJFXUMJ-STQMWFEESA-N 0 0 305.382 0.699 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[C@@H](c2nccs2)C1 ZINC000072273462 191096144 /nfs/dbraw/zinc/09/61/44/191096144.db2.gz ILTQQNPZSCIRSI-ZJUUUORDSA-N 0 0 322.390 0.837 50 0 DCAARN CCc1nc([C@H]2CCCN2CC(=O)NC[C@@H]2CCOC2)no1 ZINC000072279378 191099843 /nfs/dbraw/zinc/09/98/43/191099843.db2.gz IMGKBNONUKOWBC-NWDGAFQWSA-N 0 0 308.382 0.922 50 0 DCAARN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1cnn(C)c1 ZINC000072300223 191114268 /nfs/dbraw/zinc/11/42/68/191114268.db2.gz XGYFFVXXTYJAGG-LBPRGKRZSA-N 0 0 309.395 0.778 50 0 DCAARN CC(C)OC(=O)[C@@H](C)CNC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC000253404758 186307487 /nfs/dbraw/zinc/30/74/87/186307487.db2.gz RCYRPXABTPLPID-UWVGGRQHSA-N 0 0 301.387 0.773 50 0 DCAARN C[C@H](CNC(=O)C(=O)N[C@H](C)c1cccnc1)N1CCOCC1 ZINC000253408135 186308277 /nfs/dbraw/zinc/30/82/77/186308277.db2.gz XDRWIEDJVYBYGC-CHWSQXEVSA-N 0 0 320.393 0.096 50 0 DCAARN COc1ccc(C(=O)NC[C@@](C)(O)CN2CCOCC2)c(O)c1 ZINC000072311731 191119670 /nfs/dbraw/zinc/11/96/70/191119670.db2.gz NRYADVQNWMLLOH-MRXNPFEDSA-N 0 0 324.377 0.214 50 0 DCAARN CCN(Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccccc1 ZINC000072314403 191120769 /nfs/dbraw/zinc/12/07/69/191120769.db2.gz SODZGSVHXLCZQD-UHFFFAOYSA-N 0 0 313.361 0.987 50 0 DCAARN CN(C)C(=O)Cc1ccc(NC(=O)N2CCN(C)C(=O)C2)cc1 ZINC000072313579 191120848 /nfs/dbraw/zinc/12/08/48/191120848.db2.gz BBRXAVHCYNSETJ-UHFFFAOYSA-N 0 0 318.377 0.623 50 0 DCAARN Cc1ccc(NCCCNC(=O)[C@@H]2NCCc3nc[nH]c32)nc1 ZINC000072411204 191153334 /nfs/dbraw/zinc/15/33/34/191153334.db2.gz OXBJYMDYYRDAAB-OAHLLOKOSA-N 0 0 314.393 0.918 50 0 DCAARN COC(=O)[C@@H](C)NC(=O)CCc1nc2ccccc2n(C)c1=O ZINC000072403035 191151110 /nfs/dbraw/zinc/15/11/10/191151110.db2.gz ZKJFVQYOKCQNIK-SNVBAGLBSA-N 0 0 317.345 0.544 50 0 DCAARN CC[C@@]1(O)CCN(C(=O)c2ccc(-n3cnnc3)cc2)C[C@H]1O ZINC000072440810 191168122 /nfs/dbraw/zinc/16/81/22/191168122.db2.gz HGCGNUGBLRLLSG-GDBMZVCRSA-N 0 0 316.361 0.615 50 0 DCAARN CSCC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCCO)C1 ZINC000072458627 191172271 /nfs/dbraw/zinc/17/22/71/191172271.db2.gz GDHCBTUCQBXKRJ-QWHCGFSZSA-N 0 0 314.451 0.961 50 0 DCAARN Cc1ccccc1CN1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000072462870 191172767 /nfs/dbraw/zinc/17/27/67/191172767.db2.gz KCXUHAXDFYCKGE-OAHLLOKOSA-N 0 0 316.405 0.663 50 0 DCAARN O=C(Cn1nnc(-c2ccc(F)cc2)n1)NC[C@@H]1CCCO1 ZINC000000413474 180781416 /nfs/dbraw/zinc/78/14/16/180781416.db2.gz JIALPZVWFQOFOR-LBPRGKRZSA-N 0 0 305.313 0.774 50 0 DCAARN Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1Br ZINC000000614511 180829485 /nfs/dbraw/zinc/82/94/85/180829485.db2.gz FCXSMVYJLATLKF-UHFFFAOYSA-N 0 0 324.200 0.688 50 0 DCAARN Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1C[C@H]1CCCO1 ZINC000002364110 180921240 /nfs/dbraw/zinc/92/12/40/180921240.db2.gz NBGNUBRVDRUSEG-SNVBAGLBSA-N 0 0 317.349 0.472 50 0 DCAARN CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1cccc(F)c1 ZINC000002499427 180928020 /nfs/dbraw/zinc/92/80/20/180928020.db2.gz RUAZMOQGFMUULG-LBPRGKRZSA-N 0 0 316.354 0.704 50 0 DCAARN Cc1nnc(SCc2nc3ccccc3c(=O)[nH]2)n(N)c1=O ZINC000002644933 180943687 /nfs/dbraw/zinc/94/36/87/180943687.db2.gz IDFXOFLYPLMYLO-UHFFFAOYSA-N 0 0 316.346 0.189 50 0 DCAARN CCOC(=O)C(C(=O)OCC)N(C#N)c1nc(C)cc(C)n1 ZINC000002861723 180963785 /nfs/dbraw/zinc/96/37/85/180963785.db2.gz MVTLLJNVWBPCEY-UHFFFAOYSA-N 0 0 306.322 0.876 50 0 DCAARN Cc1ccc(N2C(=O)N(CC(=O)NC(N)=O)C(=O)[C@@H]2C)cc1 ZINC000003316691 181004332 /nfs/dbraw/zinc/00/43/32/181004332.db2.gz FPKRCCIOWNVAFA-VIFPVBQESA-N 0 0 304.306 0.347 50 0 DCAARN CC(=O)c1sc2c(c1N)c(=O)[nH]c(=O)n2C[C@H]1CCCO1 ZINC000003329028 181006092 /nfs/dbraw/zinc/00/60/92/181006092.db2.gz BQKXKPGYARMNRU-SSDOTTSWSA-N 0 0 309.347 0.715 50 0 DCAARN COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1CCCO1 ZINC000003357819 181011112 /nfs/dbraw/zinc/01/11/12/181011112.db2.gz YSKUYXVYFPRVTG-VIFPVBQESA-N 0 0 314.363 0.251 50 0 DCAARN NC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1N ZINC000003438793 181019426 /nfs/dbraw/zinc/01/94/26/181019426.db2.gz JJKFVOFFYPVNCP-UHFFFAOYSA-N 0 0 310.314 0.085 50 0 DCAARN COc1ccccc1C(=O)NC(=O)CSc1nncn1C ZINC000003511176 181028396 /nfs/dbraw/zinc/02/83/96/181028396.db2.gz NLPOPQLJLVHTEH-UHFFFAOYSA-N 0 0 306.347 0.872 50 0 DCAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC(N)=O)C1=O ZINC000003572797 181036503 /nfs/dbraw/zinc/03/65/03/181036503.db2.gz XFCHAVSXYSTRSF-CYBMUJFWSA-N 0 0 324.724 0.302 50 0 DCAARN O=S(=O)(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000003904421 181054859 /nfs/dbraw/zinc/05/48/59/181054859.db2.gz DYXFKTYWGFDGBO-SECBINFHSA-N 0 0 309.796 0.805 50 0 DCAARN CC[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c(=O)n(CCOC)c2=O ZINC000003906603 181055654 /nfs/dbraw/zinc/05/56/54/181055654.db2.gz GYYDKHQZBGCWNH-SNVBAGLBSA-N 0 0 319.361 0.865 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccccc3OC)C(=O)[C@@]2(C)NN1 ZINC000004104482 181073472 /nfs/dbraw/zinc/07/34/72/181073472.db2.gz KTUDKOHEPGQTPA-BONVTDFDSA-N 0 0 317.301 0.076 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccccc3C)C(=O)[C@]2(C)NN1 ZINC000004104481 181073739 /nfs/dbraw/zinc/07/37/39/181073739.db2.gz HHUDOYVDEPXEQL-ZUZCIYMTSA-N 0 0 301.302 0.375 50 0 DCAARN OC[C@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000004201163 181084456 /nfs/dbraw/zinc/08/44/56/181084456.db2.gz MWHKPYATGMFFPI-IBEHDNSVSA-N 0 0 306.314 0.019 50 0 biogenic,in-vitro DCAARN Cc1cc(=O)[nH]c2nnc(SCC(=O)NC[C@@H]3CCCO3)n21 ZINC000004249931 181087951 /nfs/dbraw/zinc/08/79/51/181087951.db2.gz APZQLNWSHZVEAR-VIFPVBQESA-N 0 0 323.378 0.526 50 0 DCAARN CCN1CCN(CC(=O)Nc2ccccc2OC)C(=O)C1=O ZINC000004326308 181097790 /nfs/dbraw/zinc/09/77/90/181097790.db2.gz AUHONZVSSZRQGW-UHFFFAOYSA-N 0 0 305.334 0.324 50 0 DCAARN O=C(OCCN1C(=O)c2ccccc2C1=O)C1=NNC(=O)CC1 ZINC000004364328 181102326 /nfs/dbraw/zinc/10/23/26/181102326.db2.gz ZYTQGCHQQNNRRP-UHFFFAOYSA-N 0 0 315.285 0.092 50 0 DCAARN Cn1c(Oc2cccc(O)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004386729 181106259 /nfs/dbraw/zinc/10/62/59/181106259.db2.gz DNECZNRQYXUICE-UHFFFAOYSA-N 0 0 302.290 0.469 50 0 DCAARN O=c1[nH]cc(S(=O)(=O)NCc2ccc(Cl)cc2)c(=O)[nH]1 ZINC000004480006 181112807 /nfs/dbraw/zinc/11/28/07/181112807.db2.gz ZIXAWAKGUCTHEY-UHFFFAOYSA-N 0 0 315.738 0.195 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccccc3F)C(=O)[C@@]2(C)NN1 ZINC000004844462 181161950 /nfs/dbraw/zinc/16/19/50/181161950.db2.gz WFVRFFIRAMABOE-OTYXRUKQSA-N 0 0 305.265 0.206 50 0 DCAARN COCCNC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O ZINC000004915710 181172220 /nfs/dbraw/zinc/17/22/20/181172220.db2.gz NMEUOCABHGRUJK-UHFFFAOYSA-N 0 0 314.345 0.651 50 0 DCAARN Cn1c2ccc(S(=O)(=O)N3CCCC3)cc2n(C)c(=O)c1=O ZINC000005026182 181192481 /nfs/dbraw/zinc/19/24/81/181192481.db2.gz MAMFQCHOGHAWQT-UHFFFAOYSA-N 0 0 323.374 0.022 50 0 DCAARN CCOC(=O)C[C@@H]1CCCCN1C(=O)Cn1nc(C)ccc1=O ZINC000077377026 191702737 /nfs/dbraw/zinc/70/27/37/191702737.db2.gz ZMANEVHCDLIEGL-ZDUSSCGKSA-N 0 0 321.377 0.886 50 0 DCAARN Cc1ccc(N2C[C@H](NC(=O)NCCOCCO)CC2=O)cc1 ZINC000005123407 181206409 /nfs/dbraw/zinc/20/64/09/181206409.db2.gz AHJKIQJDFXJBJW-CYBMUJFWSA-N 0 0 321.377 0.408 50 0 DCAARN CC(=O)NCCNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000005123236 181206526 /nfs/dbraw/zinc/20/65/26/181206526.db2.gz DUQNRIGPOUADRA-LBPRGKRZSA-N 0 0 304.350 0.227 50 0 DCAARN CCCc1cc(=O)n(CC(=O)NC)c(-n2nc(C)cc2C)n1 ZINC000005254796 181222517 /nfs/dbraw/zinc/22/25/17/181222517.db2.gz XXMOYJKEQSEOIM-UHFFFAOYSA-N 0 0 303.366 0.744 50 0 DCAARN CO[C@H]1O[C@@H](CF)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005495628 181250029 /nfs/dbraw/zinc/25/00/29/181250029.db2.gz CMWVMIMZFZXIIK-WJTVCTBASA-N 0 0 322.285 0.122 50 0 DCAARN C[C@H](OC(=O)c1cnccn1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000005469786 181247658 /nfs/dbraw/zinc/24/76/58/181247658.db2.gz YMGVUIFAXOVXEY-VIFPVBQESA-N 0 0 314.301 0.760 50 0 DCAARN COC(=O)c1sccc1NC(=O)CSc1nnnn1C ZINC000005748909 181280039 /nfs/dbraw/zinc/28/00/39/181280039.db2.gz OURVZNILQSDJAD-UHFFFAOYSA-N 0 0 313.364 0.789 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(N)=O)ccc1Cl ZINC000005878095 181292595 /nfs/dbraw/zinc/29/25/95/181292595.db2.gz ZNIAKGPEICZJQA-LURJTMIESA-N 0 0 320.754 0.279 50 0 DCAARN C[C@@H](C(=O)[O-])[NH+]1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000237353088 202242339 /nfs/dbraw/zinc/24/23/39/202242339.db2.gz HUZUPFURXAVDFW-RDBSUJKOSA-N 0 0 311.426 0.772 50 0 DCAARN Cc1nc(C)c([C@@H](C)N(C)C(=O)CN2CCNCC2=O)s1 ZINC000237403918 202256631 /nfs/dbraw/zinc/25/66/31/202256631.db2.gz CFXBGGPHURMMNU-SNVBAGLBSA-N 0 0 310.423 0.711 50 0 DCAARN Cc1ccc(CCNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cn1 ZINC000089652221 192834757 /nfs/dbraw/zinc/83/47/57/192834757.db2.gz QBMITJGCNCNWGV-CYBMUJFWSA-N 0 0 302.378 0.995 50 0 DCAARN C[C@H]1Cc2cc(C(=O)NCCS(=O)(=O)N(C)C)ccc2O1 ZINC000426648150 240353308 /nfs/dbraw/zinc/35/33/08/240353308.db2.gz PUUOTBLCOFTKMI-JTQLQIEISA-N 0 0 312.391 0.631 50 0 DCAARN C[C@H]1NC(=O)[C@H]2CN(C(=O)NC3CCCCC3)CCN2C1=O ZINC000014740786 291187784 /nfs/dbraw/zinc/18/77/84/291187784.db2.gz FWEYHZMCEBGGBE-ZYHUDNBSSA-N 0 0 308.382 0.060 50 0 DCAARN O=C(Nc1nc[nH]n1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000089834831 192881803 /nfs/dbraw/zinc/88/18/03/192881803.db2.gz CJYOBBVOEWSWNU-LLVKDONJSA-N 0 0 301.306 0.171 50 0 DCAARN C[C@@H](C(=O)[O-])[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000237543809 202277839 /nfs/dbraw/zinc/27/78/39/202277839.db2.gz PMTWYNFIQLTFLP-MCIONIFRSA-N 0 0 311.426 0.582 50 0 DCAARN Cn1nc(-c2cnccn2)cc1CNC(=O)c1ccc(=O)oc1 ZINC000239611967 202454946 /nfs/dbraw/zinc/45/49/46/202454946.db2.gz FGJCQDLAJSTQOB-UHFFFAOYSA-N 0 0 311.301 0.760 50 0 DCAARN C[C@H]1CN(Cc2nc3ccccc3c(=O)n2C)CCS1(=O)=O ZINC000155383482 291219148 /nfs/dbraw/zinc/21/91/48/291219148.db2.gz RYFHHYPQMZEQRM-NSHDSACASA-N 0 0 321.402 0.552 50 0 DCAARN C[C@@H](CNc1ccccc1)NC(=O)C(=O)Nc1cnn(C)c1 ZINC000189628810 200430484 /nfs/dbraw/zinc/43/04/84/200430484.db2.gz FWHGRGVYRNIAKP-NSHDSACASA-N 0 0 301.350 0.975 50 0 DCAARN O=C(O[C@@H]1CCOC1=O)c1cccnc1S[C@@H]1CCOC1=O ZINC000006012548 181306056 /nfs/dbraw/zinc/30/60/56/181306056.db2.gz CUZYBWCXMIFJOX-NXEZZACHSA-N 0 0 323.326 0.962 50 0 DCAARN Cc1nnsc1C(=O)NCCn1ccc(-c2cnccn2)n1 ZINC000244983763 202510959 /nfs/dbraw/zinc/51/09/59/202510959.db2.gz IQDSJJOXFUGZEF-UHFFFAOYSA-N 0 0 315.362 0.930 50 0 DCAARN O=C(NCc1nnc2ccc(N3CCCC3)nn21)c1cnc[nH]1 ZINC000245093428 202511233 /nfs/dbraw/zinc/51/12/33/202511233.db2.gz RNBHRZBGGHBDFX-UHFFFAOYSA-N 0 0 312.337 0.378 50 0 DCAARN CCOc1cc(-c2nnn(Cc3nn[nH]n3)n2)ccc1OC ZINC000006661214 181367138 /nfs/dbraw/zinc/36/71/38/181367138.db2.gz VPVTVZMYMVSNLR-UHFFFAOYSA-N 0 0 302.298 0.309 50 0 DCAARN COc1ccc(NC(=O)c2ccccn2)cc1S(N)(=O)=O ZINC000006754343 181383999 /nfs/dbraw/zinc/38/39/99/181383999.db2.gz ZVLIXTBQXFTZLF-UHFFFAOYSA-N 0 0 307.331 0.990 50 0 DCAARN Cc1scnc1C(=O)N1CCN(C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091350511 193045414 /nfs/dbraw/zinc/04/54/14/193045414.db2.gz IPCKKSLTZAARQY-OAHLLOKOSA-N 0 0 322.434 0.878 50 0 DCAARN CN(CCCc1nccn1C)C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000091617035 193079885 /nfs/dbraw/zinc/07/98/85/193079885.db2.gz KOSDLXWJVSUMIG-LBPRGKRZSA-N 0 0 304.394 0.822 50 0 DCAARN COc1ccc2c(c1)OC[C@@H](CNS(=O)(=O)N(C)C)C2 ZINC000091563149 193073355 /nfs/dbraw/zinc/07/33/55/193073355.db2.gz KTAMJZXJZCEFMY-SNVBAGLBSA-N 0 0 300.380 0.642 50 0 DCAARN Cc1nonc1CN1CCC2(CCC(=O)N(CCCO)C2)CC1 ZINC000091586411 193075844 /nfs/dbraw/zinc/07/58/44/193075844.db2.gz CXRRHZPEJHMZMF-UHFFFAOYSA-N 0 0 322.409 0.965 50 0 DCAARN Nc1cc(N2CCC3(CC2)[C@H](O)C[C@@H]3O)nc(N2CCCC2)n1 ZINC000091593664 193076589 /nfs/dbraw/zinc/07/65/89/193076589.db2.gz WXQCQALAFHWPPU-TXEJJXNPSA-N 0 0 319.409 0.371 50 0 DCAARN COc1ccc(OCc2nc(C(=O)NC[C@H](O)CO)co2)cc1 ZINC000091645920 193084814 /nfs/dbraw/zinc/08/48/14/193084814.db2.gz TURABAHWHIODPX-JTQLQIEISA-N 0 0 322.317 0.345 50 0 DCAARN O=C(CN1CCC2(CC1)OCCC[C@@H]2O)NCc1ccccn1 ZINC000091690250 193092173 /nfs/dbraw/zinc/09/21/73/193092173.db2.gz JBNWOSFQRNCTBF-HNNXBMFYSA-N 0 0 319.405 0.704 50 0 DCAARN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1c[nH]c(=O)cn1)CC2 ZINC000091693913 193092565 /nfs/dbraw/zinc/09/25/65/193092565.db2.gz XWYMJLYKYMUEEH-NEPJUHHUSA-N 0 0 307.350 0.162 50 0 DCAARN CN1CCN(C(=O)c2ccon2)C[C@@]12CCC(=O)N(C)CC2 ZINC000091694232 193093125 /nfs/dbraw/zinc/09/31/25/193093125.db2.gz ULVGPYXSFXVEKZ-HNNXBMFYSA-N 0 0 306.366 0.443 50 0 DCAARN CCc1ccc(CN(C)C(=O)CC[C@H]2NC(=O)NC2=O)nc1 ZINC000091725972 193098300 /nfs/dbraw/zinc/09/83/00/193098300.db2.gz FNILMYVWRUVAQX-GFCCVEGCSA-N 0 0 304.350 0.591 50 0 DCAARN Cc1n[nH]c(C)c1CCCNC(=O)C[C@@H]1C(=O)N(C)C(=O)N1C ZINC000091894112 193123092 /nfs/dbraw/zinc/12/30/92/193123092.db2.gz BDGUGPDYDBDOQW-GFCCVEGCSA-N 0 0 321.381 0.358 50 0 DCAARN O=C(NCc1ncc2c(n1)CCC2)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000091987167 193137395 /nfs/dbraw/zinc/13/73/95/193137395.db2.gz HJGLWVJMASBFOO-LLVKDONJSA-N 0 0 300.362 0.592 50 0 DCAARN COCCC[C@@]1(CO)CCCN(C(=O)N2CCOCC2)C1 ZINC000092065521 193150673 /nfs/dbraw/zinc/15/06/73/193150673.db2.gz PMDCBEXEDRPWMQ-HNNXBMFYSA-N 0 0 300.399 0.940 50 0 DCAARN O=C(NCCc1cscn1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000216309109 201488383 /nfs/dbraw/zinc/48/83/83/201488383.db2.gz VINBVOGBVKNJFG-UHFFFAOYSA-N 0 0 316.342 0.645 50 0 DCAARN COCc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NC(C)=O)s1 ZINC000222675661 201619998 /nfs/dbraw/zinc/61/99/98/201619998.db2.gz KZBOIKGQWNREEX-YXCITZCRSA-N 0 0 324.402 0.916 50 0 DCAARN COC[C@@H]1[C@H](NC(=O)c2cccn3cnnc23)[C@@H]2CCO[C@H]12 ZINC000223410735 201645110 /nfs/dbraw/zinc/64/51/10/201645110.db2.gz NZGLMAIXYADWAV-SQNXGDPESA-N 0 0 302.334 0.509 50 0 DCAARN CNC(=O)c1ccc(CNC(=O)COC[C@H]2CCCCO2)o1 ZINC000223600709 201650375 /nfs/dbraw/zinc/65/03/75/201650375.db2.gz JWNCUIIAGJTLJU-GFCCVEGCSA-N 0 0 310.350 0.841 50 0 DCAARN CCN(Cc1cnn(CC)c1)C(=O)CCNS(C)(=O)=O ZINC000252490573 202845611 /nfs/dbraw/zinc/84/56/11/202845611.db2.gz KXCBFDIXLAYRSP-UHFFFAOYSA-N 0 0 302.400 0.191 50 0 DCAARN O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCSCC1 ZINC000252548580 202866129 /nfs/dbraw/zinc/86/61/29/202866129.db2.gz QDRCSOHRWYNHAR-LLVKDONJSA-N 0 0 323.374 0.870 50 0 DCAARN Cn1ncc2c1ncnc2N1CCN(Cc2cnns2)CC1 ZINC000253431903 202888154 /nfs/dbraw/zinc/88/81/54/202888154.db2.gz YGSFSQMIIUCCTD-UHFFFAOYSA-N 0 0 316.394 0.537 50 0 DCAARN C[C@]12C[C@H](c3ccccc3O1)[C@@H](C(=O)N1CCOCC1)C(=O)N2 ZINC000004029591 291446337 /nfs/dbraw/zinc/44/63/37/291446337.db2.gz DZOGEVYEXFQKMC-SUYBPPKGSA-N 0 0 316.357 0.874 50 0 biogenic DCAARN CCO[C@@H]1C[C@H](NC(=O)NCc2nnc3n2CCC3)[C@@H]1OC ZINC000095942775 193453423 /nfs/dbraw/zinc/45/34/23/193453423.db2.gz ZJQVNNCSHSUDNH-CWSCBRNRSA-N 0 0 309.370 0.216 50 0 DCAARN Cc1noc([C@H]2CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C2)n1 ZINC000095955367 193457630 /nfs/dbraw/zinc/45/76/30/193457630.db2.gz DSCZCODDMATLSJ-WPRPVWTQSA-N 0 0 316.383 0.022 50 0 DCAARN Cc1noc(C)c1CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000095955234 193457707 /nfs/dbraw/zinc/45/77/07/193457707.db2.gz APMRKZASKVJDKA-NSHDSACASA-N 0 0 315.395 0.579 50 0 DCAARN Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@@](C)(O)[C@@H](O)C1 ZINC000096151067 193553003 /nfs/dbraw/zinc/55/30/03/193553003.db2.gz JWFRMJDORNDUBK-GXSJLCMTSA-N 0 0 307.272 0.397 50 0 DCAARN Cn1cc(NC(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)nn1 ZINC000096151658 193553376 /nfs/dbraw/zinc/55/33/76/193553376.db2.gz GGGXCYBXIXSYKO-NSHDSACASA-N 0 0 314.349 0.990 50 0 DCAARN COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H]1CCCC1=O ZINC000007983554 181515317 /nfs/dbraw/zinc/51/53/17/181515317.db2.gz ADFAFYBUALKAPK-LBPRGKRZSA-N 0 0 313.331 0.621 50 0 DCAARN CCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C ZINC000008315569 181546593 /nfs/dbraw/zinc/54/65/93/181546593.db2.gz HIBCEBWSCBTADI-UHFFFAOYSA-N 0 0 300.380 0.669 50 0 DCAARN CC(=O)N[C@@H](C(=O)Nc1ccc(-n2cnnn2)cc1)C(C)C ZINC000008344936 181550917 /nfs/dbraw/zinc/55/09/17/181550917.db2.gz CCSUATSHXDMULI-CYBMUJFWSA-N 0 0 302.338 0.762 50 0 DCAARN CCCNC(=O)COC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000008393703 181554133 /nfs/dbraw/zinc/55/41/33/181554133.db2.gz PWVAZZGFCFKNLE-UHFFFAOYSA-N 0 0 317.345 0.545 50 0 DCAARN CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccncc1 ZINC000009423438 181620219 /nfs/dbraw/zinc/62/02/19/181620219.db2.gz RRBJMNMIWKNOSR-UHFFFAOYSA-N 0 0 312.329 0.696 50 0 DCAARN Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1ccccn1 ZINC000009117830 181602437 /nfs/dbraw/zinc/60/24/37/181602437.db2.gz FMWPDDSKKJBIKT-UHFFFAOYSA-N 0 0 311.349 0.577 50 0 DCAARN CC[C@@H](C)NC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 ZINC000009117846 181603198 /nfs/dbraw/zinc/60/31/98/181603198.db2.gz MUCQQIKGIZCYJV-SNVBAGLBSA-N 0 0 311.407 0.611 50 0 DCAARN CC(=O)NCCOC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000010109521 181656779 /nfs/dbraw/zinc/65/67/79/181656779.db2.gz JGIJDCFJLHMVGR-UHFFFAOYSA-N 0 0 314.363 0.230 50 0 DCAARN O=S1(=O)N=C(NCc2nnc3n2CCC3)c2ccccc21 ZINC000010464437 181671698 /nfs/dbraw/zinc/67/16/98/181671698.db2.gz CZIARLUBWWEXBT-UHFFFAOYSA-N 0 0 303.347 0.463 50 0 DCAARN CCc1cc(CC)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C)n1 ZINC000012518772 181769658 /nfs/dbraw/zinc/76/96/58/181769658.db2.gz QADQVXWEWYXFDD-UHFFFAOYSA-N 0 0 302.338 0.271 50 0 DCAARN CCN(CC)C(=O)Cn1cc(C(=O)NC[C@H]2CCCO2)nn1 ZINC000012753745 181792751 /nfs/dbraw/zinc/79/27/51/181792751.db2.gz ZEILXMPXEIPSGW-LLVKDONJSA-N 0 0 309.370 0.055 50 0 DCAARN CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000012763742 181794627 /nfs/dbraw/zinc/79/46/27/181794627.db2.gz JOWJEOIAVLFGML-UHFFFAOYSA-N 0 0 304.318 0.818 50 0 DCAARN CC(=O)N[C@@H](C)C(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC000012925619 181812586 /nfs/dbraw/zinc/81/25/86/181812586.db2.gz DYVHDXVGQSCRJU-VIFPVBQESA-N 0 0 311.769 0.711 50 0 DCAARN CC(=O)Nn1ccc2c(cnc3nc(-c4cccnc4)nn32)c1=O ZINC000013727475 181885313 /nfs/dbraw/zinc/88/53/13/181885313.db2.gz SEFQJWUXFXUWNS-UHFFFAOYSA-N 0 0 321.300 0.591 50 0 DCAARN Cc1ccc(S(=O)(=O)CCC(=O)N2CCN(C)CC2)cc1 ZINC000013985887 181916154 /nfs/dbraw/zinc/91/61/54/181916154.db2.gz DCIUPYCYNZBSIK-UHFFFAOYSA-N 0 0 310.419 0.933 50 0 DCAARN Cc1cc(NC(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)no1 ZINC000014137727 181928388 /nfs/dbraw/zinc/92/83/88/181928388.db2.gz ATNOPXRXYUGHTR-ZDUSSCGKSA-N 0 0 314.345 0.834 50 0 DCAARN C[C@H]1NC(=O)[C@H]2CN(C(=O)Nc3cccc(F)c3)CCN2C1=O ZINC000014740971 181969013 /nfs/dbraw/zinc/96/90/13/181969013.db2.gz KNBRUAUXUFGOFR-BXKDBHETSA-N 0 0 320.324 0.389 50 0 DCAARN Cc1ccc(S(=O)(=O)N(C)Cc2nc(N)nc(N)n2)cc1 ZINC000015551458 182006893 /nfs/dbraw/zinc/00/68/93/182006893.db2.gz ZRXPBTHRGQSOEA-UHFFFAOYSA-N 0 0 308.367 0.165 50 0 DCAARN COc1ccc(OC)c([C@H]2CCN(c3c(O)c(=O)c3=O)C2)c1 ZINC000015768478 182014655 /nfs/dbraw/zinc/01/46/55/182014655.db2.gz KEWNKBXIXPOFCR-VIFPVBQESA-N 0 0 303.314 0.999 50 0 DCAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NC2CC2)cc1 ZINC000016647662 182055325 /nfs/dbraw/zinc/05/53/25/182055325.db2.gz ATJZGPNRWZNKAZ-ZDUSSCGKSA-N 0 0 322.386 0.953 50 0 DCAARN CC(=O)Nc1nnc(SCC(=O)N2CCOCC2)s1 ZINC000017043731 182070391 /nfs/dbraw/zinc/07/03/91/182070391.db2.gz HGBDZVJDLTWSND-UHFFFAOYSA-N 0 0 302.381 0.447 50 0 DCAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN(C)C ZINC000017052434 182070554 /nfs/dbraw/zinc/07/05/54/182070554.db2.gz KITBQUPEKSOGRZ-UHFFFAOYSA-N 0 0 313.379 0.832 50 0 DCAARN O=C(NCCN1CCOCC1)Nc1ccc2c(c1)OCCO2 ZINC000017031523 182069485 /nfs/dbraw/zinc/06/94/85/182069485.db2.gz SYRXXWTYDKTHBP-UHFFFAOYSA-N 0 0 307.350 0.912 50 0 DCAARN CCCCCN1CCCn2c3c(nc21)n(C)c(=O)n(C)c3=O ZINC000017193834 182079459 /nfs/dbraw/zinc/07/94/59/182079459.db2.gz GULREXMAIJNIBN-UHFFFAOYSA-N 0 0 305.382 0.834 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cncc(Br)c1 ZINC000017636129 182085005 /nfs/dbraw/zinc/08/50/05/182085005.db2.gz MILWDQCSQAXNKA-VIFPVBQESA-N 0 0 319.180 0.761 50 0 DCAARN CCCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCOCC1 ZINC000017286203 182080843 /nfs/dbraw/zinc/08/08/43/182080843.db2.gz OMCDBWXLVWHTMY-UHFFFAOYSA-N 0 0 323.393 0.215 50 0 DCAARN CCOc1ncccc1CNC(=O)C[C@@H]1C(=O)N(C)C(=O)N1C ZINC000097475535 193725130 /nfs/dbraw/zinc/72/51/30/193725130.db2.gz URJANSPOZIMMEO-LLVKDONJSA-N 0 0 320.349 0.379 50 0 DCAARN O=C(c1cc[n+]([O-])cc1)N1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000032573398 296199344 /nfs/dbraw/zinc/19/93/44/296199344.db2.gz IXARHCYWMFYCFR-HNNXBMFYSA-N 0 0 311.341 0.503 50 0 DCAARN CCOC(=O)C1=C(CC)N[C@]2(O)c3ccccc3C(=O)[C@@]12O ZINC000019300826 182114550 /nfs/dbraw/zinc/11/45/50/182114550.db2.gz RIUUQYALSGAKLQ-HOTGVXAUSA-N 0 0 303.314 0.590 50 0 DCAARN CCCOc1ccc(N2C(=O)C[C@H](NCC(=O)OC)C2=O)cc1 ZINC000019503884 182126517 /nfs/dbraw/zinc/12/65/17/182126517.db2.gz HRJRNNXQTOYKSZ-ZDUSSCGKSA-N 0 0 320.345 0.870 50 0 DCAARN COc1cccc(OC[C@@H](O)CNC(=O)c2cnc(C)nc2)c1 ZINC000097528047 193731289 /nfs/dbraw/zinc/73/12/89/193731289.db2.gz FKVAPXKEZHEJCJ-ZDUSSCGKSA-N 0 0 317.345 0.963 50 0 DCAARN CC(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1 ZINC000019792597 182149817 /nfs/dbraw/zinc/14/98/17/182149817.db2.gz OQLMLSHMUJPDOF-UHFFFAOYSA-N 0 0 304.302 0.175 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(F)c(F)c1 ZINC000020030498 182181639 /nfs/dbraw/zinc/18/16/39/182181639.db2.gz GPJOGVMWBNAANB-UHFFFAOYSA-N 0 0 317.273 0.451 50 0 DCAARN NC(=O)Cc1ccc(OCc2noc(C(=O)NC3CC3)n2)cc1 ZINC000020717445 182243572 /nfs/dbraw/zinc/24/35/72/182243572.db2.gz MZMDZCBBHGQJPL-UHFFFAOYSA-N 0 0 316.317 0.569 50 0 DCAARN O=C(NCCc1ccco1)c1cn(CCN2CCOCC2)nn1 ZINC000020911234 182253737 /nfs/dbraw/zinc/25/37/37/182253737.db2.gz NAKNWJSUXQFFQT-UHFFFAOYSA-N 0 0 319.365 0.176 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1c[nH]c2ccccc21 ZINC000020914599 182253914 /nfs/dbraw/zinc/25/39/14/182253914.db2.gz JIRKHDRSDOHDPM-CYBMUJFWSA-N 0 0 315.329 0.672 50 0 DCAARN Cc1cc2n(n1)CCC(=O)N2CCCC(=O)N1CCOCC1 ZINC000020944166 182255933 /nfs/dbraw/zinc/25/59/33/182255933.db2.gz FPLIFCNPEGEZKH-UHFFFAOYSA-N 0 0 306.366 0.567 50 0 DCAARN Cc1ccc(OC[C@H](O)CN2CCN(CCO)CC2)cc1C ZINC000021487183 182274994 /nfs/dbraw/zinc/27/49/94/182274994.db2.gz CPEUMMZDNSCLSL-MRXNPFEDSA-N 0 0 308.422 0.653 50 0 DCAARN CCCNC(=O)NC(=O)CN1CCN(Cc2ccccn2)CC1 ZINC000022011927 182303453 /nfs/dbraw/zinc/30/34/53/182303453.db2.gz SETKOKZYTSNLLJ-UHFFFAOYSA-N 0 0 319.409 0.435 50 0 DCAARN COC(=O)c1c(C)[nH]c(C(=O)NCc2nnc3n2CCC3)c1C ZINC000022190766 182312964 /nfs/dbraw/zinc/31/29/64/182312964.db2.gz UNBBFJZMGCFRFO-UHFFFAOYSA-N 0 0 317.349 0.886 50 0 DCAARN CC(=O)OCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000022438716 182321597 /nfs/dbraw/zinc/32/15/97/182321597.db2.gz OEWBCLDDFIFCAS-UHFFFAOYSA-N 0 0 320.345 0.338 50 0 DCAARN Cc1ccc(C)c(NC(=O)C[C@@H](C(=O)[O-])N2CC[NH2+]CC2)c1 ZINC000022466408 182322765 /nfs/dbraw/zinc/32/27/65/182322765.db2.gz WIWOGTHNLWVFSY-AWEZNQCLSA-N 0 0 305.378 0.990 50 0 DCAARN COC(=O)COC(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC000022886827 182339103 /nfs/dbraw/zinc/33/91/03/182339103.db2.gz UJIXDECXYWJURK-UHFFFAOYSA-N 0 0 315.347 0.108 50 0 DCAARN Cc1ccc(C(=O)N[C@H](C(=O)Nc2ncn[nH]2)C(C)C)cc1 ZINC000023142740 182351361 /nfs/dbraw/zinc/35/13/61/182351361.db2.gz HSSUYLNRPHDJOQ-LBPRGKRZSA-N 0 0 301.350 0.928 50 0 DCAARN COCCNC(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000023256532 182354762 /nfs/dbraw/zinc/35/47/62/182354762.db2.gz QESPBLOBDNVIMU-INIZCTEOSA-N 0 0 321.421 0.100 50 0 DCAARN CC(=O)N[C@@H](C(=O)OCc1cc(=O)n2ccsc2n1)C(C)C ZINC000023970643 182370684 /nfs/dbraw/zinc/37/06/84/182370684.db2.gz ZXANDGFJSPVANX-GFCCVEGCSA-N 0 0 323.374 0.960 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000024778130 182391033 /nfs/dbraw/zinc/39/10/33/182391033.db2.gz JTLJFXPXWMCPTP-UHFFFAOYSA-N 0 0 315.395 0.328 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(F)cc(F)c1 ZINC000025021001 182399416 /nfs/dbraw/zinc/39/94/16/182399416.db2.gz FDTYHWCGAUDHLP-NSHDSACASA-N 0 0 312.272 0.469 50 0 DCAARN C[C@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)[C@@H]1CCCO1 ZINC000027891897 182495817 /nfs/dbraw/zinc/49/58/17/182495817.db2.gz DSLKDYUAQQDANK-JQWIXIFHSA-N 0 0 319.365 0.204 50 0 DCAARN COC(=O)Cn1c2ccc(S(=O)(=O)N(C)C)cc2oc1=O ZINC000027915124 182497127 /nfs/dbraw/zinc/49/71/27/182497127.db2.gz JNVJAYOGYJQYIO-UHFFFAOYSA-N 0 0 314.319 0.018 50 0 DCAARN C/C=C/CN1CCn2c1nc1c2c(=O)n(C/C=C/C)c(=O)n1C ZINC000036369802 182819715 /nfs/dbraw/zinc/81/97/15/182819715.db2.gz PQCLUXROBSBPIN-YDFGWWAZSA-N 0 0 315.377 0.869 50 0 biogenic DCAARN CCOC(=O)N1CCC(NC(=O)C(=O)Nc2cc(C)on2)CC1 ZINC000038717166 183007450 /nfs/dbraw/zinc/00/74/50/183007450.db2.gz OUSNUCJLRYSDSO-UHFFFAOYSA-N 0 0 324.337 0.659 50 0 DCAARN COC(=O)CN(C)Cc1cnc(S(C)(=O)=O)n1CC(C)C ZINC000039364134 183017292 /nfs/dbraw/zinc/01/72/92/183017292.db2.gz BAURZIHWMKPVGD-UHFFFAOYSA-N 0 0 317.411 0.547 50 0 DCAARN CC(C)COCCCNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000040485867 183077577 /nfs/dbraw/zinc/07/75/77/183077577.db2.gz AKLXPOJZHQRNHY-UHFFFAOYSA-N 0 0 320.455 0.837 50 0 DCAARN COc1ccc(OC)c(CNS(=O)(=O)N2CCOCC2)c1 ZINC000040493335 183080461 /nfs/dbraw/zinc/08/04/61/183080461.db2.gz STSRSZODVIVXEF-UHFFFAOYSA-N 0 0 316.379 0.370 50 0 DCAARN O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N1CCNC(=O)C1 ZINC000040498536 183082950 /nfs/dbraw/zinc/08/29/50/183082950.db2.gz DULCGWKFVKUACG-FPYGCLRLSA-N 0 0 313.357 0.550 50 0 DCAARN C[C@H]1CN(C(=O)CCn2nnc3ccccc3c2=O)[C@@H](C)CO1 ZINC000040499032 183083002 /nfs/dbraw/zinc/08/30/02/183083002.db2.gz ICRYXBUTYZVFFI-RYUDHWBXSA-N 0 0 316.361 0.817 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)c2cn3ccccc3n2)CC1 ZINC000040512903 183088420 /nfs/dbraw/zinc/08/84/20/183088420.db2.gz DUQUZYKGJHWQGZ-UHFFFAOYSA-N 0 0 322.390 0.488 50 0 DCAARN CS(=O)(=O)N1CCC[C@H](C(=O)NCCc2cccnc2)C1 ZINC000040522361 183091399 /nfs/dbraw/zinc/09/13/99/183091399.db2.gz NQYJLTBUWBNGQD-ZDUSSCGKSA-N 0 0 311.407 0.412 50 0 DCAARN CC(C)c1noc(C2CCN(C(=O)Cn3cnnn3)CC2)n1 ZINC000040714703 183123078 /nfs/dbraw/zinc/12/30/78/183123078.db2.gz SJWRUHQADGVHBT-UHFFFAOYSA-N 0 0 305.342 0.586 50 0 DCAARN O=C(CCn1ncc2ccccc21)N[C@H]1CCS(=O)(=O)C1 ZINC000040757965 183129745 /nfs/dbraw/zinc/12/97/45/183129745.db2.gz MAPOUIOUPHJBSH-LBPRGKRZSA-N 0 0 307.375 0.730 50 0 DCAARN O=C(CCn1cnc2ccccc2c1=O)NC[C@@H]1CCOC1 ZINC000041370618 183187624 /nfs/dbraw/zinc/18/76/24/183187624.db2.gz PSAMDNFFSYWTRV-LBPRGKRZSA-N 0 0 301.346 0.939 50 0 DCAARN Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@H](C)C(N)=O)c1 ZINC000041842036 183222293 /nfs/dbraw/zinc/22/22/93/183222293.db2.gz SHUIJLPMTOBQMM-SECBINFHSA-N 0 0 319.390 0.532 50 0 DCAARN O=C(Cn1ccccc1=O)N1CCN(CC(F)(F)F)CC1 ZINC000042004167 183228724 /nfs/dbraw/zinc/22/87/24/183228724.db2.gz QSABTOCLNJRZTQ-UHFFFAOYSA-N 0 0 303.284 0.555 50 0 DCAARN O=C(NCCNC(=O)C1CCN(C(=O)C2CC2)CC1)C1CC1 ZINC000041597455 183207900 /nfs/dbraw/zinc/20/79/00/183207900.db2.gz XRKFZNHMTJTWLW-UHFFFAOYSA-N 0 0 307.394 0.277 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000042502575 183277740 /nfs/dbraw/zinc/27/77/40/183277740.db2.gz IDHXWDRUBMIVLQ-RYUDHWBXSA-N 0 0 314.411 0.059 50 0 DCAARN CC(=O)N1CCC(NC(=O)Cn2nnc3ccccc32)CC1 ZINC000042761648 183305903 /nfs/dbraw/zinc/30/59/03/183305903.db2.gz DLRWPAUKCISTNQ-UHFFFAOYSA-N 0 0 301.350 0.558 50 0 DCAARN COC(=O)c1cc(S(N)(=O)=O)ccc1NC[C@H]1CCCO1 ZINC000042623049 183292273 /nfs/dbraw/zinc/29/22/73/183292273.db2.gz WJBQCOYIARAUQI-SECBINFHSA-N 0 0 314.363 0.712 50 0 DCAARN CCOC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000042702241 183298714 /nfs/dbraw/zinc/29/87/14/183298714.db2.gz UCXWXIHFLMWPND-UHFFFAOYSA-N 0 0 312.347 0.365 50 0 DCAARN NC(=O)C1(CNC(=O)NCCc2ccccn2)CCOCC1 ZINC000042964002 183324561 /nfs/dbraw/zinc/32/45/61/183324561.db2.gz YBBGGTBWTPGPKE-UHFFFAOYSA-N 0 0 306.366 0.205 50 0 DCAARN Cc1ccc(OCCN(C)C(=O)C[C@H]2NC(=O)NC2=O)cc1 ZINC000042815703 183312217 /nfs/dbraw/zinc/31/22/17/183312217.db2.gz LWRJTKFXSFSVJK-GFCCVEGCSA-N 0 0 305.334 0.430 50 0 DCAARN COc1ccccc1S(=O)(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000044457615 183411182 /nfs/dbraw/zinc/41/11/82/183411182.db2.gz HEEYUZVDQAPLOJ-JTQLQIEISA-N 0 0 319.404 0.408 50 0 DCAARN CS(=O)(=O)NCCNC(=O)/C=C/c1nc2ccccc2o1 ZINC000044045136 183393885 /nfs/dbraw/zinc/39/38/85/183393885.db2.gz LPKLWGDPOGVMLD-VOTSOKGWSA-N 0 0 309.347 0.506 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccco2)n[nH]1 ZINC000044227292 183399259 /nfs/dbraw/zinc/39/92/59/183399259.db2.gz XZKVBIHDPHKSNE-VIFPVBQESA-N 0 0 309.347 0.834 50 0 DCAARN COC(=O)c1ccc(S(=O)(=O)NCc2nc(C)no2)cc1 ZINC000044226999 183399721 /nfs/dbraw/zinc/39/97/21/183399721.db2.gz HLCNQLNQTCSVGP-UHFFFAOYSA-N 0 0 311.319 0.643 50 0 DCAARN Cc1cc(CN2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)no1 ZINC000044604918 183426976 /nfs/dbraw/zinc/42/69/76/183426976.db2.gz CQTPCZXQMQRNCZ-UHFFFAOYSA-N 0 0 316.361 0.640 50 0 DCAARN NS(=O)(=O)c1ccc(CCNC(=O)NCc2ccco2)cc1 ZINC000044889780 183447590 /nfs/dbraw/zinc/44/75/90/183447590.db2.gz QFNNEUMAVRFVIE-UHFFFAOYSA-N 0 0 323.374 0.969 50 0 DCAARN Cc1cc(CS(=O)(=O)CC(=O)NC[C@@H]2CCCO2)on1 ZINC000046109658 183551856 /nfs/dbraw/zinc/55/18/56/183551856.db2.gz XKXQWZJZRNXFPT-JTQLQIEISA-N 0 0 302.352 0.193 50 0 DCAARN CC(C)(O)CN1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC000106401030 194207321 /nfs/dbraw/zinc/20/73/21/194207321.db2.gz IQDBNXQZXQUQNF-UHFFFAOYSA-N 0 0 303.366 0.487 50 0 DCAARN COC(=O)c1cc(NC(=O)C(=O)NC[C@H](C)O)c(F)cc1F ZINC000048664055 183675404 /nfs/dbraw/zinc/67/54/04/183675404.db2.gz LBJTZMIKCMFCNK-LURJTMIESA-N 0 0 316.260 0.187 50 0 DCAARN COC(=O)c1ccc(C)c(NC(=O)N2CCO[C@@H](C(N)=O)C2)c1 ZINC000051236821 183820713 /nfs/dbraw/zinc/82/07/13/183820713.db2.gz LFMZXGIRRPRDEF-GFCCVEGCSA-N 0 0 321.333 0.500 50 0 DCAARN O=C(Cn1cnnn1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000052917912 183879913 /nfs/dbraw/zinc/87/99/13/183879913.db2.gz XQKFFYWZERCXLB-LBPRGKRZSA-N 0 0 315.333 0.808 50 0 DCAARN Cc1noc([C@H](C)N2CCN(C(=O)CCn3cccn3)CC2)n1 ZINC000110890481 194367207 /nfs/dbraw/zinc/36/72/07/194367207.db2.gz PJGDZIWFNJILRW-LBPRGKRZSA-N 0 0 318.381 0.870 50 0 DCAARN CCCNC(=O)CNC(=O)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000057192193 184029415 /nfs/dbraw/zinc/02/94/15/184029415.db2.gz PSFJVKNSPWCZIR-UHFFFAOYSA-N 0 0 316.361 0.730 50 0 DCAARN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)N1CCNC(=O)C1 ZINC000057024627 184024801 /nfs/dbraw/zinc/02/48/01/184024801.db2.gz PHRYDPRHEMMGEE-KGLIPLIRSA-N 0 0 303.406 0.944 50 0 DCAARN CCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)o2)C1=O ZINC000058283290 184099953 /nfs/dbraw/zinc/09/99/53/184099953.db2.gz ISGVZKPXNLBPDR-CQSZACIVSA-N 0 0 322.321 0.201 50 0 DCAARN CN(CCOc1ccccc1)CC(=O)N[C@@H]1CCCCNC1=O ZINC000058331144 184106562 /nfs/dbraw/zinc/10/65/62/184106562.db2.gz ULCARJMRAJLSHZ-OAHLLOKOSA-N 0 0 319.405 0.782 50 0 DCAARN O=C(Cc1csc(N2CCNC2=O)n1)OC[C@@H]1CCCO1 ZINC000061307761 184168509 /nfs/dbraw/zinc/16/85/09/184168509.db2.gz UDIOLPSFMWOTCQ-JTQLQIEISA-N 0 0 311.363 0.937 50 0 DCAARN CN(CC(N)=O)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000060564090 184152480 /nfs/dbraw/zinc/15/24/80/184152480.db2.gz NAPDCANSWZHBDM-UHFFFAOYSA-N 0 0 312.753 0.988 50 0 DCAARN O=C(NCCNS(=O)(=O)c1cccc2nonc21)C1CCC1 ZINC000061720809 184185285 /nfs/dbraw/zinc/18/52/85/184185285.db2.gz WFWXEBYBKDBEPO-UHFFFAOYSA-N 0 0 324.362 0.417 50 0 DCAARN O=C(CN1C(=O)CCC1=O)N1CCC(Cn2ccnc2)CC1 ZINC000062017608 184201769 /nfs/dbraw/zinc/20/17/69/184201769.db2.gz MORDWPQANFWTFR-UHFFFAOYSA-N 0 0 304.350 0.271 50 0 DCAARN CCCNC(=O)CN1CCN(Cc2ccccc2)C(=O)C1=O ZINC000064888464 184305681 /nfs/dbraw/zinc/30/56/81/184305681.db2.gz DBGMSYUYIIBLSF-UHFFFAOYSA-N 0 0 303.362 0.384 50 0 DCAARN CC(C)NC(=O)NCCn1nnc2cc(C(=O)N(C)C)ccc21 ZINC000065075575 184309732 /nfs/dbraw/zinc/30/97/32/184309732.db2.gz IHCHUSYYALGJQY-UHFFFAOYSA-N 0 0 318.381 0.841 50 0 DCAARN Cc1nnc2c(=O)n(CC(=O)NCC(C)C)c3cccnc3n12 ZINC000065172994 184313634 /nfs/dbraw/zinc/31/36/34/184313634.db2.gz QPTJIOKPOHUEKU-UHFFFAOYSA-N 0 0 314.349 0.520 50 0 DCAARN CCCn1c(=O)c2nscc2n(CC(=O)N[C@@H](C)CC)c1=O ZINC000065184987 184314041 /nfs/dbraw/zinc/31/40/41/184314041.db2.gz KTXJSEUMCPWNQU-VIFPVBQESA-N 0 0 324.406 0.944 50 0 DCAARN Cc1noc(C)c1COC(=O)C1=CN(C)S(=O)(=O)N=C1C ZINC000065314334 184324295 /nfs/dbraw/zinc/32/42/95/184324295.db2.gz VSEJSKCBBVYJCQ-UHFFFAOYSA-N 0 0 313.335 0.870 50 0 DCAARN COc1cc(N(CC(N)=O)S(C)(=O)=O)c(OC)cc1Cl ZINC000065365486 184329165 /nfs/dbraw/zinc/32/91/65/184329165.db2.gz LUVAZXMAZDXVPG-UHFFFAOYSA-N 0 0 322.770 0.609 50 0 DCAARN CCOC(=O)c1ccc(N2C[C@@H]3C[NH2+]C[C@]3(C(=O)[O-])C2)nc1 ZINC000065373365 184330541 /nfs/dbraw/zinc/33/05/41/184330541.db2.gz OXMRLFCNAXOLSG-NHYWBVRUSA-N 0 0 305.334 0.369 50 0 DCAARN Cc1noc2ncc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)cc12 ZINC000065380219 184331817 /nfs/dbraw/zinc/33/18/17/184331817.db2.gz YEHGKKPLTYMMIM-VIFPVBQESA-N 0 0 309.347 0.696 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](NC(=O)NCCc2ccc(F)cc2)CN1C ZINC000065384197 184332462 /nfs/dbraw/zinc/33/24/62/184332462.db2.gz HEDKWSSPAFJSQE-KGLIPLIRSA-N 0 0 323.368 0.913 50 0 DCAARN COC[C@H](C)N(C)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000065433573 184344217 /nfs/dbraw/zinc/34/42/17/184344217.db2.gz SMSMRTUCARTXIQ-NSHDSACASA-N 0 0 319.361 0.573 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)Cc1cn2ccsc2n1 ZINC000065440427 184345773 /nfs/dbraw/zinc/34/57/73/184345773.db2.gz PIDMBFSEXQKCQU-NSHDSACASA-N 0 0 308.407 0.775 50 0 DCAARN CNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000065447470 184346045 /nfs/dbraw/zinc/34/60/45/184346045.db2.gz OXDCAPMOBLGKFE-UHFFFAOYSA-N 0 0 308.363 0.093 50 0 DCAARN O=C(Cn1cnnn1)N1CCC(OCc2ccccc2)CC1 ZINC000065446330 184346174 /nfs/dbraw/zinc/34/61/74/184346174.db2.gz RDPWMRVIBAMNTR-UHFFFAOYSA-N 0 0 301.350 0.881 50 0 DCAARN CCn1cc(NC(=O)NCCN2CCN(C(C)=O)CC2)cn1 ZINC000065452696 184346819 /nfs/dbraw/zinc/34/68/19/184346819.db2.gz JAFFTAXJIVHJMR-UHFFFAOYSA-N 0 0 308.386 0.189 50 0 DCAARN CO[C@H]1COC[C@@H]1NC(=O)c1ccc(CSc2nc[nH]n2)o1 ZINC000065470670 184350934 /nfs/dbraw/zinc/35/09/34/184350934.db2.gz QAQBYAODVFQFPU-ONGXEEELSA-N 0 0 324.362 0.834 50 0 DCAARN O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)NC(=O)NC2=O ZINC000065488009 184353124 /nfs/dbraw/zinc/35/31/24/184353124.db2.gz VAMKNKSOHYFQME-OLZOCXBDSA-N 0 0 313.357 0.991 50 0 DCAARN NC(=O)[C@H](NC(=O)Cn1c2ccccc2[nH]c1=O)c1ccccc1 ZINC000065490213 184353418 /nfs/dbraw/zinc/35/34/18/184353418.db2.gz CPLSPABECMUKBM-OAHLLOKOSA-N 0 0 324.340 0.672 50 0 DCAARN CCOCC1(CN2CC(=O)N3CC[C@@H](O)C[C@H]3C2=O)CCC1 ZINC000065526379 184359658 /nfs/dbraw/zinc/35/96/58/184359658.db2.gz KRVWTKZHTFUJEM-OLZOCXBDSA-N 0 0 310.394 0.387 50 0 DCAARN CCOCCO[C@@H](C)C(=O)NCCC(=O)NCc1ccncc1 ZINC000065539514 184363413 /nfs/dbraw/zinc/36/34/13/184363413.db2.gz VPWJBDNYEQGFKW-ZDUSSCGKSA-N 0 0 323.393 0.646 50 0 DCAARN O=C1[C@@H]2CCCN2C(=O)N1C[C@@H](O)COCc1ccccc1 ZINC000065552823 184365063 /nfs/dbraw/zinc/36/50/63/184365063.db2.gz XGUGTMWPAWUBFT-KGLIPLIRSA-N 0 0 304.346 0.991 50 0 DCAARN O=C(Cc1ccc(F)cc1)NCCNC(=O)NC[C@H]1CCCO1 ZINC000065609450 184372711 /nfs/dbraw/zinc/37/27/11/184372711.db2.gz JPJRMCGADALIHE-CQSZACIVSA-N 0 0 323.368 0.963 50 0 DCAARN CS(=O)(=O)c1nc(C(=O)Nc2cc[nH]n2)c2ccccn21 ZINC000066051841 184385590 /nfs/dbraw/zinc/38/55/90/184385590.db2.gz OYFLFMQZPHLZCN-UHFFFAOYSA-N 0 0 305.319 0.713 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Cc1cc(F)ccc1C ZINC000067884742 184489974 /nfs/dbraw/zinc/48/99/74/184489974.db2.gz BOAWMROHJNKAOG-CYBMUJFWSA-N 0 0 322.336 0.567 50 0 DCAARN O=C1CN(Cc2cc3ccccc3[nH]2)C(=O)[C@@H]2C[C@H](O)CCN12 ZINC000067965819 296334787 /nfs/dbraw/zinc/33/47/87/296334787.db2.gz VXKOYUXYWAWFMO-HIFRSBDPSA-N 0 0 313.357 0.862 50 0 DCAARN C[C@@H](O)[C@@H]1NC(=O)N(c2ccc3c(c2)NC(=O)[C@H](C)O3)C1=O ZINC000333300223 252703580 /nfs/dbraw/zinc/70/35/80/252703580.db2.gz BSKHHZFGVRIINQ-BUYFANAVSA-N 0 0 305.290 0.212 50 0 DCAARN O=C(CCCN1C(=O)CNC1=O)Nc1ccc2n[nH]cc2c1 ZINC000340541772 253271547 /nfs/dbraw/zinc/27/15/47/253271547.db2.gz GDOVVYYBLJNKNT-UHFFFAOYSA-N 0 0 301.306 0.833 50 0 DCAARN Cn1cnc(S(=O)(=O)NC[C@]2(O)CCc3ccccc3C2)c1 ZINC000096026044 256552931 /nfs/dbraw/zinc/55/29/31/256552931.db2.gz PXQPNFOEFYAHNX-HNNXBMFYSA-N 0 0 321.402 0.618 50 0 DCAARN CCO[C@H]1CN(C(=O)CCn2nc(C)c(C(C)=O)c2C)C[C@@H]1O ZINC000222539439 256594136 /nfs/dbraw/zinc/59/41/36/256594136.db2.gz WVWVSQAQCWHRKC-KBPBESRZSA-N 0 0 323.393 0.701 50 0 DCAARN CCOC(=O)[C@]1(F)CN(C(=O)[C@H]2CCCOC2)CC12COC2 ZINC000521394388 257241452 /nfs/dbraw/zinc/24/14/52/257241452.db2.gz YAYQRFWNHIUDPT-XHDPSFHLSA-N 0 0 315.341 0.543 50 0 DCAARN O=C(NCCCc1nnc2ccccn21)[C@@H]1CCS(=O)(=O)C1 ZINC000426684524 257244608 /nfs/dbraw/zinc/24/46/08/257244608.db2.gz PNCRDDQJKISEPN-LLVKDONJSA-N 0 0 322.390 0.213 50 0 DCAARN CCCN(C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O)C1CCCC1 ZINC000426615458 257244901 /nfs/dbraw/zinc/24/49/01/257244901.db2.gz KVGHCYHHBMFPJQ-LBPRGKRZSA-N 0 0 320.393 0.782 50 0 DCAARN C[C@@H](Cn1cncn1)NC(=O)NCC(=O)Nc1nccs1 ZINC000426593702 257245737 /nfs/dbraw/zinc/24/57/37/257245737.db2.gz KSANUEMIOPWZKM-QMMMGPOBSA-N 0 0 309.355 0.061 50 0 DCAARN CC(C)n1cnnc1CN(C)C(=O)NCCN1CCCOC1=O ZINC000426535273 257247194 /nfs/dbraw/zinc/24/71/94/257247194.db2.gz WRRIAFIZOQOZJU-UHFFFAOYSA-N 0 0 324.385 0.843 50 0 DCAARN CCc1noc([C@@H]2CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)n1 ZINC000426487826 257249053 /nfs/dbraw/zinc/24/90/53/257249053.db2.gz CQTFQJOFKUMBQD-VIFPVBQESA-N 0 0 319.321 0.409 50 0 DCAARN COCCc1noc(CNC(=O)c2ccc(C)n(C)c2=O)n1 ZINC000426477782 257249070 /nfs/dbraw/zinc/24/90/70/257249070.db2.gz UVPVOBOBXLPQNV-UHFFFAOYSA-N 0 0 306.322 0.196 50 0 DCAARN CCc1nnc(CNC(=O)c2cnc3c(O)cccn3c2=O)o1 ZINC000426411262 257250944 /nfs/dbraw/zinc/25/09/44/257250944.db2.gz HLWVSKPOJCYKGC-UHFFFAOYSA-N 0 0 315.289 0.276 50 0 DCAARN COCC(=O)N1CC[C@@H](NC(=O)c2ccc(C)s2)[C@H](O)C1 ZINC000426409293 257251151 /nfs/dbraw/zinc/25/11/51/257251151.db2.gz JLVMYUYHKAFFQR-GHMZBOCLSA-N 0 0 312.391 0.395 50 0 DCAARN Cc1nnc(CNC(=O)N2CCN(Cc3noc(C)n3)CC2)o1 ZINC000426393062 257252248 /nfs/dbraw/zinc/25/22/48/257252248.db2.gz QMXAFOBDXQZIBG-UHFFFAOYSA-N 0 0 321.341 0.097 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCN(C(=O)NCc2ccc(F)cc2)C1 ZINC000426382859 257252793 /nfs/dbraw/zinc/25/27/93/257252793.db2.gz CHASBVQEKYSWJZ-LLVKDONJSA-N 0 0 315.370 0.646 50 0 DCAARN COc1ccc(CNC(=O)COC(=O)c2ccc[nH]c2=O)cc1 ZINC000003228169 257267125 /nfs/dbraw/zinc/26/71/25/257267125.db2.gz XOMQBJHLGHJJPF-UHFFFAOYSA-N 0 0 316.313 0.857 50 0 DCAARN O=C(CCNc1ncccn1)N1CCC(N2CCNC2=O)CC1 ZINC000071819984 184852780 /nfs/dbraw/zinc/85/27/80/184852780.db2.gz PFFUAUQJTALKAD-UHFFFAOYSA-N 0 0 318.381 0.295 50 0 DCAARN Cc1cc(NC(=O)CN2CCn3c(nnc3C(C)C)C2)n(C)n1 ZINC000071871969 184879824 /nfs/dbraw/zinc/87/98/24/184879824.db2.gz AWTBYPULJZWPMP-UHFFFAOYSA-N 0 0 317.397 0.898 50 0 DCAARN Cc1cc(CN2C[C@H](F)C[C@H]2C(N)=O)ccc1-n1cncn1 ZINC000299746708 533637403 /nfs/dbraw/zinc/63/74/03/533637403.db2.gz ZHPBFBZDVLWJDX-OCCSQVGLSA-N 0 0 303.341 0.973 50 0 DCAARN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1nnc(C(C)(C)C)s1 ZINC000293653404 131755244 /nfs/dbraw/zinc/75/52/44/131755244.db2.gz LLOFKQCSGXVROL-JGVFFNPUSA-N 0 0 317.436 0.999 50 0 DCAARN CCOC(=O)N1CCN(c2ccc(S(N)(=O)=O)cn2)CC1 ZINC000021972133 134653437 /nfs/dbraw/zinc/65/34/37/134653437.db2.gz YUPWKIZKHWLVIW-UHFFFAOYSA-N 0 0 314.367 0.008 50 0 DCAARN Cc1csc(N2CCN(c3ccc4nnnn4n3)CC2)n1 ZINC000024659318 134661157 /nfs/dbraw/zinc/66/11/57/134661157.db2.gz QVXQDGHPCSDRHO-UHFFFAOYSA-N 0 0 302.367 0.611 50 0 DCAARN CCS(=O)(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000038589178 134706698 /nfs/dbraw/zinc/70/66/98/134706698.db2.gz HNEVVAICNHHAEE-UHFFFAOYSA-N 0 0 315.414 0.887 50 0 DCAARN CCOC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NC)cc1 ZINC000008225351 395684227 /nfs/dbraw/zinc/68/42/27/395684227.db2.gz UPIGJJVXMGSGQW-UHFFFAOYSA-N 0 0 314.363 0.230 50 0 DCAARN CCCn1nnnc1COC(=O)[C@H]1COc2ccccc2O1 ZINC000008516110 395684651 /nfs/dbraw/zinc/68/46/51/395684651.db2.gz ORJKRXRCBAAWMQ-GFCCVEGCSA-N 0 0 304.306 0.966 50 0 DCAARN COCCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000008765343 395684854 /nfs/dbraw/zinc/68/48/54/395684854.db2.gz COHUCKDVDPJHJT-UHFFFAOYSA-N 0 0 317.345 0.484 50 0 biogenic DCAARN CC(C)OCCCNC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000008723637 395684865 /nfs/dbraw/zinc/68/48/65/395684865.db2.gz HKCDOHFWQUPIMT-UHFFFAOYSA-N 0 0 300.380 0.879 50 0 DCAARN CN1CC2(Cc3cc(N)ccc31)C(=O)N(C)C(=O)N(C)C2=O ZINC000008791970 395684969 /nfs/dbraw/zinc/68/49/69/395684969.db2.gz SGINMHZMCCVAGP-UHFFFAOYSA-N 0 0 302.334 0.298 50 0 biogenic DCAARN NC(=O)CSc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N ZINC000009015431 395684999 /nfs/dbraw/zinc/68/49/99/395684999.db2.gz SLONICYKXMNHQL-UHFFFAOYSA-N 0 0 315.362 0.626 50 0 DCAARN CONC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000008919889 395685063 /nfs/dbraw/zinc/68/50/63/395685063.db2.gz XPJGMCOKVYPHQS-UHFFFAOYSA-N 0 0 304.393 0.826 50 0 DCAARN Cc1cc(=O)[nH]c(Nn2ccc3c(cnc4ncnn43)c2=O)n1 ZINC000009290508 395685213 /nfs/dbraw/zinc/68/52/13/395685213.db2.gz QGISNPXINILZHH-UHFFFAOYSA-N 0 0 310.277 0.118 50 0 DCAARN NC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccccc1 ZINC000009827627 395685678 /nfs/dbraw/zinc/68/56/78/395685678.db2.gz AZIAUQZDDXYESN-UHFFFAOYSA-N 0 0 320.374 0.592 50 0 DCAARN CC(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000009950591 395685859 /nfs/dbraw/zinc/68/58/59/395685859.db2.gz PVUVTWMIUMVHRZ-UHFFFAOYSA-N 0 0 301.368 0.174 50 0 DCAARN CC(=O)N1CCC[C@@H](C(=O)OCC(=O)Nc2cc(C)on2)C1 ZINC000010745091 395686173 /nfs/dbraw/zinc/68/61/73/395686173.db2.gz PYNCTUYBIVKCPS-LLVKDONJSA-N 0 0 309.322 0.723 50 0 DCAARN CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(N)=O)c1 ZINC000010601400 395686189 /nfs/dbraw/zinc/68/61/89/395686189.db2.gz ZEBUGGDWLQZOLL-MRVPVSSYSA-N 0 0 300.336 0.015 50 0 DCAARN O=C(NCCS(=O)(=O)N1CCc2ccccc21)[C@@H]1CCCO1 ZINC000010875317 395686289 /nfs/dbraw/zinc/68/62/89/395686289.db2.gz PHURFMOVRFPTCZ-AWEZNQCLSA-N 0 0 324.402 0.674 50 0 DCAARN CN(C)c1ncc2c(n1)CCC[C@H]2NC(=O)CCn1cncn1 ZINC000012223833 395687239 /nfs/dbraw/zinc/68/72/39/395687239.db2.gz NPWXALLRUYATTQ-GFCCVEGCSA-N 0 0 315.381 0.718 50 0 DCAARN CCCNC(=O)CN1CCN(c2ncnc3c2cnn3C)CC1 ZINC000012486343 395687700 /nfs/dbraw/zinc/68/77/00/395687700.db2.gz AODLAHWWORKJLG-UHFFFAOYSA-N 0 0 317.397 0.012 50 0 DCAARN C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000012658272 395687841 /nfs/dbraw/zinc/68/78/41/395687841.db2.gz RVGBQAQXYZIECJ-DTORHVGOSA-N 0 0 309.322 0.137 50 0 DCAARN NC(=O)c1ccc(CN(c2ccc3nnnn3n2)C2CC2)cc1 ZINC000012920903 395688136 /nfs/dbraw/zinc/68/81/36/395688136.db2.gz UHOYFPFDGJZNKF-UHFFFAOYSA-N 0 0 309.333 0.787 50 0 DCAARN C[C@H]1NC(=S)N(C[C@H]2CN(Cc3ccccc3)CCO2)C1=O ZINC000012924540 395688170 /nfs/dbraw/zinc/68/81/70/395688170.db2.gz VLAOUUISLNZGAM-TZMCWYRMSA-N 0 0 319.430 0.993 50 0 DCAARN COc1ccccc1[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000012999941 395688289 /nfs/dbraw/zinc/68/82/89/395688289.db2.gz DBEPGDMHGJIUBF-JTQLQIEISA-N 0 0 303.318 0.423 50 0 DCAARN Cn1nnc2c1ncnc2SCC(=O)NC[C@@H]1CCCO1 ZINC000013531874 395688715 /nfs/dbraw/zinc/68/87/15/395688715.db2.gz DRFFGOOCQASVIY-QMMMGPOBSA-N 0 0 308.367 0.146 50 0 DCAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C(=O)NCCO ZINC000013691559 395688850 /nfs/dbraw/zinc/68/88/50/395688850.db2.gz DQZJQXDRZZYHLA-UHFFFAOYSA-N 0 0 316.361 0.595 50 0 DCAARN COC(=O)[C@H](NC(=O)CSc1nc(N)n[nH]1)c1ccccc1 ZINC000013945156 395689028 /nfs/dbraw/zinc/68/90/28/395689028.db2.gz BNPMBDFHGNGRGR-SNVBAGLBSA-N 0 0 321.362 0.510 50 0 DCAARN O=C(/C=C/c1ccco1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000014118255 395689106 /nfs/dbraw/zinc/68/91/06/395689106.db2.gz QUXRWPNIMLQUAT-AATRIKPKSA-N 0 0 303.362 0.716 50 0 DCAARN COCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000014166436 395689348 /nfs/dbraw/zinc/68/93/48/395689348.db2.gz ULLLOCIKFCIFGC-UHFFFAOYSA-N 0 0 312.391 0.216 50 0 DCAARN C[C@@H]1NC(=O)[C@H]2CN(C(=O)Nc3cccc(F)c3)CCN2C1=O ZINC000014751744 395689697 /nfs/dbraw/zinc/68/96/97/395689697.db2.gz KNBRUAUXUFGOFR-JOYOIKCWSA-N 0 0 320.324 0.389 50 0 DCAARN COCCNC(=O)c1nc(Cn2nc(C)c(Cl)c2C)no1 ZINC000015082709 395689719 /nfs/dbraw/zinc/68/97/19/395689719.db2.gz MPSFQMVEBGMHKN-UHFFFAOYSA-N 0 0 313.745 0.961 50 0 DCAARN Cc1nc(N2CCOCC2)ncc1C(=O)N1CCN(C)CC1 ZINC000021638671 395691629 /nfs/dbraw/zinc/69/16/29/395691629.db2.gz JGEICZWOCNFTCX-UHFFFAOYSA-N 0 0 305.382 0.009 50 0 DCAARN CC(C)OC(=O)c1nnn(-c2nonc2N)c1CN1CCCC1 ZINC000000052360 395679721 /nfs/dbraw/zinc/67/97/21/395679721.db2.gz XNCXTZBIMKUYBH-UHFFFAOYSA-N 0 0 321.341 0.394 50 0 DCAARN CCN(CC)CC(=O)Nc1nn(-c2ccccc2)nc1C(N)=O ZINC000000112882 395679778 /nfs/dbraw/zinc/67/97/78/395679778.db2.gz RYGQDARFFXKVKW-UHFFFAOYSA-N 0 0 316.365 0.647 50 0 DCAARN CCOc1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)nn1 ZINC000000117780 395679787 /nfs/dbraw/zinc/67/97/87/395679787.db2.gz WOVQZMMYDDRUCV-UHFFFAOYSA-N 0 0 305.342 0.985 50 0 DCAARN CNC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(O)c(OC)c1 ZINC000000083276 395679817 /nfs/dbraw/zinc/67/98/17/395679817.db2.gz NMZRLXPTHGSFHW-LBPRGKRZSA-N 0 0 307.375 0.940 50 0 DCAARN Cc1cccc(Cn2c(N(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000000282243 395680231 /nfs/dbraw/zinc/68/02/31/395680231.db2.gz QGZFFVJZUONRJR-UHFFFAOYSA-N 0 0 313.361 0.846 50 0 DCAARN Cn1c2nc3n(c2c(=O)[nH]c1=O)CCC(=O)N3C1CCCCC1 ZINC000000492368 395680377 /nfs/dbraw/zinc/68/03/77/395680377.db2.gz JNJMCGGTZMPNHD-UHFFFAOYSA-N 0 0 317.349 0.493 50 0 DCAARN COC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000001053764 395680675 /nfs/dbraw/zinc/68/06/75/395680675.db2.gz NKSRXZBNFAUATJ-UHFFFAOYSA-N 0 0 302.327 0.898 50 0 DCAARN NC(=O)[C@]1(CCC(=O)NCc2ccccc2)CCC(=O)NC1 ZINC000001424729 395680810 /nfs/dbraw/zinc/68/08/10/395680810.db2.gz ZBUIRBMLSAQOHA-MRXNPFEDSA-N 0 0 303.362 0.465 50 0 DCAARN COC(=O)c1ccc(CSC2=NCN(CCO)CN2)cc1 ZINC000001473441 395681016 /nfs/dbraw/zinc/68/10/16/395681016.db2.gz HJBSZNVHUQAEMO-UHFFFAOYSA-N 0 0 309.391 0.875 50 0 DCAARN CCOC(=O)[C@@H]1C(=O)NC(N2CCOCC2)=N[C@H]1c1ccco1 ZINC000002436914 395681507 /nfs/dbraw/zinc/68/15/07/395681507.db2.gz UUNXEQBSBBXKBH-RYUDHWBXSA-N 0 0 321.333 0.318 50 0 DCAARN COc1ccc(C(=O)NCCNC(=O)[C@@H]2CCCNC2=O)cc1 ZINC000002447183 395681612 /nfs/dbraw/zinc/68/16/12/395681612.db2.gz HSVMUCZNYCWCSU-CYBMUJFWSA-N 0 0 319.361 0.067 50 0 DCAARN Cc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)n(C)n1 ZINC000002778083 395681783 /nfs/dbraw/zinc/68/17/83/395681783.db2.gz JXXUEKAZTQALAI-UHFFFAOYSA-N 0 0 302.334 0.920 50 0 DCAARN COCCNC(=O)CCCCn1c(=O)[nH]c2ccccc2c1=O ZINC000002952324 395682174 /nfs/dbraw/zinc/68/21/74/395682174.db2.gz BOFUEORBEUILLP-UHFFFAOYSA-N 0 0 319.361 0.623 50 0 DCAARN CCc1c(C)n(CN2CCCC2=O)n(CN2CCCC2=O)c1=O ZINC000005318234 395682643 /nfs/dbraw/zinc/68/26/43/395682643.db2.gz PSUOZMAVAQZBRD-UHFFFAOYSA-N 0 0 320.393 0.680 50 0 DCAARN Cc1csc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)n1 ZINC000007195767 395683291 /nfs/dbraw/zinc/68/32/91/395683291.db2.gz APUCLSXAPPVDPT-QMMMGPOBSA-N 0 0 306.434 0.847 50 0 DCAARN O=C(COc1ccccc1)NCCCNC(=O)c1cnccn1 ZINC000007871483 395683752 /nfs/dbraw/zinc/68/37/52/395683752.db2.gz YGHRNHCKJOBLDK-UHFFFAOYSA-N 0 0 314.345 0.792 50 0 DCAARN CN(C(=O)Cc1cn2ccccc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000029959177 395701198 /nfs/dbraw/zinc/70/11/98/395701198.db2.gz LCACKKFSXBQGCY-LBPRGKRZSA-N 0 0 307.375 0.522 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2nnn(-c3cccs3)c2=O)C[C@H](C)O1 ZINC000029974274 395701568 /nfs/dbraw/zinc/70/15/68/395701568.db2.gz VNRXHPZWXAQTJB-AOOOYVTPSA-N 0 0 323.378 0.126 50 0 DCAARN C[C@H]1CN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CCO1 ZINC000029986669 395701603 /nfs/dbraw/zinc/70/16/03/395701603.db2.gz HDTUFJONUYRVPL-NSHDSACASA-N 0 0 317.345 0.740 50 0 DCAARN O=C(c1ccco1)N1CCN(Cc2nnnn2C2CC2)CC1 ZINC000030148201 395701880 /nfs/dbraw/zinc/70/18/80/395701880.db2.gz KSWRWWOHJQJCMR-UHFFFAOYSA-N 0 0 302.338 0.559 50 0 DCAARN CCC[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C(=O)[O-] ZINC000091321373 395724779 /nfs/dbraw/zinc/72/47/79/395724779.db2.gz AIINCKBEYYJMIY-VXGBXAGGSA-N 0 0 306.428 0.701 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)NCc1nc2ccccc2s1 ZINC000030971529 395705140 /nfs/dbraw/zinc/70/51/40/395705140.db2.gz BWUGLTDBGIAXIQ-UHFFFAOYSA-N 0 0 316.342 0.463 50 0 DCAARN O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1cnccn1 ZINC000031941442 395708426 /nfs/dbraw/zinc/70/84/26/395708426.db2.gz RWACFCRPWNHXTH-AWEZNQCLSA-N 0 0 308.407 0.414 50 0 DCAARN COc1ccc(OCCCC(=O)N2CCN(CCO)CC2)cc1 ZINC000031946028 395709105 /nfs/dbraw/zinc/70/91/05/395709105.db2.gz PELOTAULGXYOTE-UHFFFAOYSA-N 0 0 322.405 0.991 50 0 DCAARN CCn1nc(C(=O)N[C@H]2CCCC[C@@H]2C(=O)NC)ccc1=O ZINC000089300113 395710084 /nfs/dbraw/zinc/71/00/84/395710084.db2.gz SQRZSPGITVJNDE-QWRGUYRKSA-N 0 0 306.366 0.298 50 0 DCAARN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCN(C)C[C@H]1C ZINC000089505517 395712565 /nfs/dbraw/zinc/71/25/65/395712565.db2.gz XKNVUSFZLXCTRP-MRVPVSSYSA-N 0 0 315.395 0.320 50 0 DCAARN O=S(=O)(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000032771424 395713131 /nfs/dbraw/zinc/71/31/31/395713131.db2.gz QCZFMNRKRVFMPW-VIFPVBQESA-N 0 0 307.368 0.539 50 0 DCAARN Cc1cc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc(C)n1 ZINC000032782343 395713210 /nfs/dbraw/zinc/71/32/10/395713210.db2.gz PKXLTINUVQXVMY-SNVBAGLBSA-N 0 0 315.420 0.489 50 0 DCAARN CCN(CC)S(=O)(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000032825846 395713656 /nfs/dbraw/zinc/71/36/56/395713656.db2.gz FKIRWSAFQQKQKX-ZDUSSCGKSA-N 0 0 307.460 0.519 50 0 DCAARN CC(C)CCC1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)CC1 ZINC000089821144 395715381 /nfs/dbraw/zinc/71/53/81/395715381.db2.gz HXVWOQVBVGPDRI-UHFFFAOYSA-N 0 0 308.382 0.934 50 0 DCAARN CC1(C)Cc2cccc(OCCNC(=O)[C@H]3CNC(=O)N3)c2O1 ZINC000089919709 395716602 /nfs/dbraw/zinc/71/66/02/395716602.db2.gz JKDYCAZQYABOIY-LLVKDONJSA-N 0 0 319.361 0.577 50 0 DCAARN C[C@@H]1CN(C)CCN1C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000089938198 395717048 /nfs/dbraw/zinc/71/70/48/395717048.db2.gz INAVXDMRLCAHTD-SNVBAGLBSA-N 0 0 312.395 0.653 50 0 DCAARN CCN(C[C@@H]1CN([C@@H]2C[C@H](C)OC2=O)CCO1)c1cccnn1 ZINC000089969162 395717790 /nfs/dbraw/zinc/71/77/90/395717790.db2.gz WOZQZUNNSSUTHW-BFHYXJOUSA-N 0 0 320.393 0.708 50 0 DCAARN O=C(c1ccc[nH]c1=O)N1CCC(Oc2cnccn2)CC1 ZINC000090677854 395719571 /nfs/dbraw/zinc/71/95/71/395719571.db2.gz XMDMABAXVBRQPD-UHFFFAOYSA-N 0 0 300.318 0.849 50 0 DCAARN O=c1[nH]c2cc(Cl)c(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000035463246 395720786 /nfs/dbraw/zinc/72/07/86/395720786.db2.gz VGWGCCQRFRDTHD-UHFFFAOYSA-N 0 0 317.754 0.531 50 0 DCAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000036073959 395721992 /nfs/dbraw/zinc/72/19/92/395721992.db2.gz MFHABSHMJVJUQD-UHFFFAOYSA-N 0 0 313.379 0.801 50 0 DCAARN CCOC(=O)CN1c2ccccc2C(=O)N2C[C@H](O)C[C@H]2C1=O ZINC000036575579 395723450 /nfs/dbraw/zinc/72/34/50/395723450.db2.gz PCXIUDUAIJGXIX-MFKMUULPSA-N 0 0 318.329 0.172 50 0 DCAARN C[C@@H](Nc1cccc(OCC(N)=O)c1)C(=O)NC(=O)NC1CC1 ZINC000028356256 395695964 /nfs/dbraw/zinc/69/59/64/395695964.db2.gz JWWHMNDCDPEOTE-SECBINFHSA-N 0 0 320.349 0.339 50 0 DCAARN CCCc1noc(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)n1 ZINC000084759054 395698984 /nfs/dbraw/zinc/69/89/84/395698984.db2.gz FNRBQEFHKRKTOD-HNNXBMFYSA-N 0 0 321.381 0.927 50 0 DCAARN COCCCn1ccc2nc(N3CCOCC3)ncc2c1=O ZINC000039383851 395732209 /nfs/dbraw/zinc/73/22/09/395732209.db2.gz YFTOLEIJXGTHMA-UHFFFAOYSA-N 0 0 304.350 0.665 50 0 DCAARN O=S(=O)(NCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000038587841 395732479 /nfs/dbraw/zinc/73/24/79/395732479.db2.gz XPBIJYKCWCKRMP-UHFFFAOYSA-N 0 0 309.435 0.890 50 0 DCAARN CN(Cc1nc2ccccc2c(=O)[nH]1)c1nc(N)nc2nc[nH]c21 ZINC000096153802 395746656 /nfs/dbraw/zinc/74/66/56/395746656.db2.gz AOKNEDMCRKMYJV-UHFFFAOYSA-N 0 0 322.332 0.808 50 0 DCAARN O=C(COCc1nc(-c2cccnc2)no1)N1CCOCC1 ZINC000096182080 395747121 /nfs/dbraw/zinc/74/71/21/395747121.db2.gz KFECSCXCOSVVBC-UHFFFAOYSA-N 0 0 304.306 0.507 50 0 DCAARN CCC(=O)NCC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000095997976 395740923 /nfs/dbraw/zinc/74/09/23/395740923.db2.gz CWLDOSGAAKFNIS-UHFFFAOYSA-N 0 0 313.361 0.855 50 0 DCAARN Cn1nnnc1COc1ccc(C(=O)Nc2nncs2)cc1 ZINC000096101285 395744523 /nfs/dbraw/zinc/74/45/23/395744523.db2.gz RQPZEGXCIGTNCA-UHFFFAOYSA-N 0 0 317.334 0.893 50 0 DCAARN CO[C@](C)(CNC(=O)CN1C(=O)CCC1=O)c1ccccc1F ZINC000096123459 395745560 /nfs/dbraw/zinc/74/55/60/395745560.db2.gz ZNQFLKMTVHZEJP-MRXNPFEDSA-N 0 0 322.336 0.953 50 0 DCAARN CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2cccnc2)C1 ZINC000096122019 395745580 /nfs/dbraw/zinc/74/55/80/395745580.db2.gz YMCZPQALUACCDB-UHFFFAOYSA-N 0 0 318.420 0.525 50 0 DCAARN C[C@@]1(O)CCN(CC(=O)N2CCOc3ccccc32)C[C@@H]1O ZINC000096130880 395745711 /nfs/dbraw/zinc/74/57/11/395745711.db2.gz XBCDDMYWOSUKSV-GOEBONIOSA-N 0 0 306.362 0.230 50 0 DCAARN Cc1nn(C)c2nc(NCCN(C)S(C)(=O)=O)sc12 ZINC000096139575 395745936 /nfs/dbraw/zinc/74/59/36/395745936.db2.gz HSVDRQWMBVQMGT-UHFFFAOYSA-N 0 0 303.413 0.642 50 0 DCAARN CCCCn1nc(Cn2cncn2)nc1CN1CCCC1=O ZINC000096151002 395746239 /nfs/dbraw/zinc/74/62/39/395746239.db2.gz KWTJQKVFHOORIZ-UHFFFAOYSA-N 0 0 303.370 0.840 50 0 DCAARN Cc1ccc(C(=O)NCCC(=O)N2CC[C@@](C)(O)[C@@H](O)C2)cc1 ZINC000096148211 395746300 /nfs/dbraw/zinc/74/63/00/395746300.db2.gz RZECXKMEHBPMCD-WMLDXEAASA-N 0 0 320.389 0.459 50 0 DCAARN COc1ccccc1[C@@H](CNC(=O)CN1C(=O)CCC1=O)OC ZINC000096384487 395752822 /nfs/dbraw/zinc/75/28/22/395752822.db2.gz UICQFKCMRCKNKP-CYBMUJFWSA-N 0 0 320.345 0.648 50 0 DCAARN Cc1cc(CNC(=O)CN2CCN(c3ccccn3)CC2)no1 ZINC000096436219 395753252 /nfs/dbraw/zinc/75/32/52/395753252.db2.gz LPGXIMQQQGYNHT-UHFFFAOYSA-N 0 0 315.377 0.816 50 0 DCAARN O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CC(=O)N(CC2CC2)C1 ZINC000097197931 395755695 /nfs/dbraw/zinc/75/56/95/395755695.db2.gz ULQNLFMYSNGFJK-QWHCGFSZSA-N 0 0 302.378 0.573 50 0 DCAARN CCOc1ncnc2c1CN(Cc1nnnn1C1CC1)CC2 ZINC000097202020 395756173 /nfs/dbraw/zinc/75/61/73/395756173.db2.gz PKGHDCJSCGTJAK-UHFFFAOYSA-N 0 0 301.354 0.755 50 0 DCAARN OCc1csc(N2CCN(Cc3ncc[nH]3)C[C@@H](O)C2)n1 ZINC000097272537 395756375 /nfs/dbraw/zinc/75/63/75/395756375.db2.gz UIYVKAZLUBGSIE-LLVKDONJSA-N 0 0 309.395 0.042 50 0 DCAARN CN(C)[C@@H](CNC(=O)Nc1nccn(C)c1=O)c1ccco1 ZINC000097234877 395756426 /nfs/dbraw/zinc/75/64/26/395756426.db2.gz LVGRMKHTIQBVJI-JTQLQIEISA-N 0 0 305.338 0.798 50 0 DCAARN O=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000097272470 395756632 /nfs/dbraw/zinc/75/66/32/395756632.db2.gz SFNPKXTZTNZURD-SNVBAGLBSA-N 0 0 301.339 0.752 50 0 DCAARN COc1cccc(N2CCN(C(=O)c3cn(C)nn3)CC2)c1 ZINC000044443169 395756781 /nfs/dbraw/zinc/75/67/81/395756781.db2.gz IDQYEMGVWMMNFM-UHFFFAOYSA-N 0 0 301.350 0.786 50 0 DCAARN O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCc1c[nH]cn1 ZINC000096232434 395750926 /nfs/dbraw/zinc/75/09/26/395750926.db2.gz FPKJOKYFJWQIDG-ZDUSSCGKSA-N 0 0 300.318 0.858 50 0 DCAARN CCOc1cccc2c1OCC(C(=O)N1CCNC(=O)C1)=C2 ZINC000046738849 395779442 /nfs/dbraw/zinc/77/94/42/395779442.db2.gz ISTXAPPQBYZCRM-UHFFFAOYSA-N 0 0 302.330 0.820 50 0 DCAARN CSCCN1CCN(C(=O)c2cc3ncccn3n2)CC1 ZINC000097528073 395758559 /nfs/dbraw/zinc/75/85/59/395758559.db2.gz HBTWFRFJYWQDSB-UHFFFAOYSA-N 0 0 305.407 0.850 50 0 DCAARN O=C(N[C@H]1C=CS(=O)(=O)C1)c1ccc(CN2CCCC2)o1 ZINC000097514458 395758606 /nfs/dbraw/zinc/75/86/06/395758606.db2.gz LXDJZFMSZJTNFA-NSHDSACASA-N 0 0 310.375 0.916 50 0 DCAARN O=C(NCCN1CCOCC1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000097506099 395758646 /nfs/dbraw/zinc/75/86/46/395758646.db2.gz JFGXXEMAVDORIR-UHFFFAOYSA-N 0 0 319.336 0.729 50 0 DCAARN CNc1cc(C(=O)NCCS(=O)(=O)N2CCCC2)ccn1 ZINC000097610040 395759391 /nfs/dbraw/zinc/75/93/91/395759391.db2.gz DFBZMWUPRRUBMC-UHFFFAOYSA-N 0 0 312.395 0.279 50 0 DCAARN Cc1nc2cc(C(=O)NCCCN3CCNC(=O)C3)ccc2[nH]1 ZINC000097698709 395760534 /nfs/dbraw/zinc/76/05/34/395760534.db2.gz CVPIWNXYHCJQSB-UHFFFAOYSA-N 0 0 315.377 0.423 50 0 DCAARN COc1cccc(-c2nc3c([nH]2)CN(C[C@@H](O)CO)CC3)c1 ZINC000097743447 395760564 /nfs/dbraw/zinc/76/05/64/395760564.db2.gz RABIEHCQJSDPGU-GFCCVEGCSA-N 0 0 303.362 0.797 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)N[C@H]1CCOc2ccccc21 ZINC000097922866 395760889 /nfs/dbraw/zinc/76/08/89/395760889.db2.gz CBXPBIIOUKOUCP-WDEREUQCSA-N 0 0 303.318 0.615 50 0 DCAARN C[C@H](COc1ccc(F)cc1)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000097915170 395760900 /nfs/dbraw/zinc/76/09/00/395760900.db2.gz WDDQZGAZRPGRMP-SKDRFNHKSA-N 0 0 323.324 0.697 50 0 DCAARN O=C(CCc1[nH]nc2c1CCCC2)N[C@@H]1C=CS(=O)(=O)C1 ZINC000097775447 395760912 /nfs/dbraw/zinc/76/09/12/395760912.db2.gz DCERDTUEYVQBPD-SNVBAGLBSA-N 0 0 309.391 0.648 50 0 DCAARN O=[N+]([O-])C(C(=C(Cl)Cl)N1CCOCC1)=C1NCCN1 ZINC000100636319 395763595 /nfs/dbraw/zinc/76/35/95/395763595.db2.gz KAFDHEYDRJRCSO-UHFFFAOYSA-N 0 0 309.153 0.604 50 0 DCAARN CC1(C)O[C@@H]2[C@H](CO)O[C@H](n3ccc(=O)[nH]c3=S)[C@H]2O1 ZINC000101365215 395764140 /nfs/dbraw/zinc/76/41/40/395764140.db2.gz YZPAYNHRIOAAHF-NORCUCSASA-N 0 0 300.336 0.316 50 0 DCAARN CCN1C[C@H](C(=O)NCCc2cn3ccccc3n2)CC1=O ZINC000046195638 395772576 /nfs/dbraw/zinc/77/25/76/395772576.db2.gz QZRHRAFLLPZBGQ-GFCCVEGCSA-N 0 0 300.362 0.861 50 0 DCAARN NC(=O)CN1CCC(Nc2ncc(C(N)=O)cc2Cl)CC1 ZINC000047255499 395789601 /nfs/dbraw/zinc/78/96/01/395789601.db2.gz XTPOQRLMVMRJPB-UHFFFAOYSA-N 0 0 311.773 0.196 50 0 DCAARN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCCc1cn2ccccc2n1 ZINC000193750069 395777935 /nfs/dbraw/zinc/77/79/35/395777935.db2.gz UFQVSLHBXXBUJF-BXUZGUMPSA-N 0 0 315.377 0.701 50 0 DCAARN NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CC=C(C(F)(F)F)CC2)O1 ZINC000270522695 395779302 /nfs/dbraw/zinc/77/93/02/395779302.db2.gz UCSJEXULLDMGNX-UWVGGRQHSA-N 0 0 321.299 0.923 50 0 DCAARN O=C(NC1CC1)C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000048005890 395805537 /nfs/dbraw/zinc/80/55/37/395805537.db2.gz AZHDVTYSZPOUBR-UHFFFAOYSA-N 0 0 305.353 0.749 50 0 DCAARN CC(=O)N1CCC(NC(=O)NCc2cccnc2N(C)C)CC1 ZINC000048154688 395809428 /nfs/dbraw/zinc/80/94/28/395809428.db2.gz HYBYRYNYPVKKII-UHFFFAOYSA-N 0 0 319.409 0.958 50 0 DCAARN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)N[C@H]1CCS(=O)(=O)C1 ZINC000048234647 395811618 /nfs/dbraw/zinc/81/16/18/395811618.db2.gz WYYYKLPCFOSTRP-WCFLWFBJSA-N 0 0 310.375 0.131 50 0 DCAARN O=C(NC[C@H]1Cc2ccccc2O1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000048313583 395813298 /nfs/dbraw/zinc/81/32/98/395813298.db2.gz GVOKITPAHBEVKO-WCQYABFASA-N 0 0 324.402 0.724 50 0 DCAARN O=C(CN1CCN(CCO)CC1)NCc1cccc(Cl)c1 ZINC000048615878 395820434 /nfs/dbraw/zinc/82/04/34/395820434.db2.gz RTECABWSVUHTPQ-UHFFFAOYSA-N 0 0 311.813 0.566 50 0 DCAARN COc1nccnc1O[C@@H]1CCN(C(=O)N2CCN(C)CC2)C1 ZINC000225389963 395859339 /nfs/dbraw/zinc/85/93/39/395859339.db2.gz YLMWIEQTODYORL-GFCCVEGCSA-N 0 0 321.381 0.306 50 0 DCAARN CCOC(=O)CCS(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000049064429 395827785 /nfs/dbraw/zinc/82/77/85/395827785.db2.gz LXFLYBQBUZCYNF-UHFFFAOYSA-N 0 0 307.368 0.154 50 0 DCAARN Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)nn1 ZINC000225430110 395859769 /nfs/dbraw/zinc/85/97/69/395859769.db2.gz LPWGGPBATOJLHK-RYUDHWBXSA-N 0 0 304.350 0.243 50 0 DCAARN O=C(Cc1ccccn1)N1CCCO[C@@H](CN2CCOCC2)C1 ZINC000215397938 395836822 /nfs/dbraw/zinc/83/68/22/395836822.db2.gz MZTHHVBWUANVMV-INIZCTEOSA-N 0 0 319.405 0.574 50 0 DCAARN NC(=O)C1(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)CC1 ZINC000219238171 395844908 /nfs/dbraw/zinc/84/49/08/395844908.db2.gz BQZVNWWKIOJCMU-ZIAGYGMSSA-N 0 0 318.373 0.742 50 0 DCAARN Cc1n[nH]cc1CN(C)C(=O)[C@H](c1ccccc1)n1cnnn1 ZINC000219611753 395846041 /nfs/dbraw/zinc/84/60/41/395846041.db2.gz PTWUTMPZINOJCH-AWEZNQCLSA-N 0 0 311.349 0.953 50 0 DCAARN Cc1nc(CN2CCN(C(=O)C(=O)c3cccnc3)CC2)no1 ZINC000219818492 395846460 /nfs/dbraw/zinc/84/64/60/395846460.db2.gz HXONBEZGPKGSQO-UHFFFAOYSA-N 0 0 315.333 0.300 50 0 DCAARN O=S(=O)(N[C@@H]1CCOC[C@H]1O)c1ccc(F)c(Cl)c1 ZINC000220028709 395846949 /nfs/dbraw/zinc/84/69/49/395846949.db2.gz QQUOAFGYKJIAGD-GHMZBOCLSA-N 0 0 309.746 0.907 50 0 DCAARN COc1ccc(CC(=O)NCCN2CCNC2=O)c(OC)c1 ZINC000219910834 395847042 /nfs/dbraw/zinc/84/70/42/395847042.db2.gz KEUDWUZYGXPRFW-UHFFFAOYSA-N 0 0 307.350 0.388 50 0 DCAARN Cc1nonc1CC(=O)N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 ZINC000219891366 395847090 /nfs/dbraw/zinc/84/70/90/395847090.db2.gz QDRHOIJYIOEKED-LNSITVRQSA-N 0 0 316.361 0.814 50 0 DCAARN COC[C@@H]1[C@H](NC(=O)c2cnn3ccn(C)c23)[C@@H]2CCO[C@H]12 ZINC000220032451 395847152 /nfs/dbraw/zinc/84/71/52/395847152.db2.gz OJGSBNHFFSWYAE-SQNXGDPESA-N 0 0 304.350 0.453 50 0 DCAARN CCS(=O)(=O)NCCCNS(=O)(=O)c1ccc(C)cc1 ZINC000051162556 395847599 /nfs/dbraw/zinc/84/75/99/395847599.db2.gz ZHMHLZZRRMPCBQ-UHFFFAOYSA-N 0 0 320.436 0.603 50 0 DCAARN CC(C)(C)C[C@H](NC(=O)Cn1nnnc1N)c1cccnc1 ZINC000220438089 395848420 /nfs/dbraw/zinc/84/84/20/395848420.db2.gz CULPZODBHBHAAZ-NSHDSACASA-N 0 0 303.370 0.944 50 0 DCAARN COc1ccc2oc(CNC(=O)CCn3nnnc3C)nc2c1 ZINC000220499168 395848887 /nfs/dbraw/zinc/84/88/87/395848887.db2.gz PNPLIWKATWQEEZ-UHFFFAOYSA-N 0 0 316.321 0.838 50 0 DCAARN Nc1nc(CCCNC(=O)C[C@@H]2C=CS(=O)(=O)C2)cs1 ZINC000220377721 395849022 /nfs/dbraw/zinc/84/90/22/395849022.db2.gz GQUFUYWHHVBCKA-VIFPVBQESA-N 0 0 315.420 0.723 50 0 DCAARN Cc1ccc(OCC(=O)N[C@H]2C[C@@H](C(=O)[O-])[N@H+](C)C2)cc1C ZINC000223651171 395855895 /nfs/dbraw/zinc/85/58/95/395855895.db2.gz NRPQBGWVKHMWCG-JSGCOSHPSA-N 0 0 306.362 0.956 50 0 DCAARN C[NH+](C)[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000223860321 395856850 /nfs/dbraw/zinc/85/68/50/395856850.db2.gz OXPNAXAZKBNGPQ-NEPJUHHUSA-N 0 0 320.345 0.574 50 0 DCAARN C[C@@H]1CO[C@@H](C)CN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000047447347 395793160 /nfs/dbraw/zinc/79/31/60/395793160.db2.gz CIGCNGKSPUBYSA-NEPJUHHUSA-N 0 0 301.350 0.841 50 0 DCAARN CCNC(=O)CN(CC)C(=O)c1cnn(C)c1-n1cccc1 ZINC000047665789 395799398 /nfs/dbraw/zinc/79/93/98/395799398.db2.gz QCKAXMRJXLDGSV-UHFFFAOYSA-N 0 0 303.366 0.809 50 0 DCAARN Cc1nccn1-c1ncccc1CNC(=O)c1nccnc1N ZINC000054164624 395894776 /nfs/dbraw/zinc/89/47/76/395894776.db2.gz MPRIFQZLDDZJSI-UHFFFAOYSA-N 0 0 309.333 0.878 50 0 DCAARN CC(C)NC(=O)C(=O)N1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000054481405 395900416 /nfs/dbraw/zinc/90/04/16/395900416.db2.gz KJBQRXOZINHIJV-CYBMUJFWSA-N 0 0 307.394 0.538 50 0 DCAARN Cc1noc(C2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000054665099 395904011 /nfs/dbraw/zinc/90/40/11/395904011.db2.gz ULUQBJOVJWCGDC-NSHDSACASA-N 0 0 313.379 0.519 50 0 DCAARN Cc1cnn(CC(=O)N2CCN(Cc3cc(C)no3)CC2)c1 ZINC000055078664 395910705 /nfs/dbraw/zinc/91/07/05/395910705.db2.gz HPTRAHKMTLAVEM-UHFFFAOYSA-N 0 0 303.366 0.832 50 0 DCAARN Cc1nnc(SCC(=O)NCCOc2nonc2C)s1 ZINC000055393008 395918805 /nfs/dbraw/zinc/91/88/05/395918805.db2.gz DBPNTRQFKCEOLC-UHFFFAOYSA-N 0 0 315.380 0.825 50 0 DCAARN Cc1cc(C)n(CCC(=O)NCCSc2c[nH]nn2)c(=O)n1 ZINC000055402479 395918868 /nfs/dbraw/zinc/91/88/68/395918868.db2.gz NFWDDAZIFZTWIV-UHFFFAOYSA-N 0 0 322.394 0.277 50 0 DCAARN O=C(c1sccc1-n1cnnn1)N1CCN(CC2CC2)CC1 ZINC000055669560 395920953 /nfs/dbraw/zinc/92/09/53/395920953.db2.gz NKOVMGOUDJCBLQ-UHFFFAOYSA-N 0 0 318.406 0.892 50 0 DCAARN CC(=O)NCC(=O)N1CCC[C@H](Oc2nccnc2N(C)C)C1 ZINC000225505367 395861826 /nfs/dbraw/zinc/86/18/26/395861826.db2.gz HYDKWAIGSJBBEK-LBPRGKRZSA-N 0 0 321.381 0.049 50 0 DCAARN CC[S@@](=O)CC(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000225702548 395862434 /nfs/dbraw/zinc/86/24/34/395862434.db2.gz HDWKICNGCMSZFT-JOCHJYFZSA-N 0 0 324.446 0.978 50 0 DCAARN CC(C)Oc1ccc(F)cc1NC(=O)C(=O)NC1(C(N)=O)CC1 ZINC000225687579 395862479 /nfs/dbraw/zinc/86/24/79/395862479.db2.gz XILCYNWFMAXEQC-UHFFFAOYSA-N 0 0 323.324 0.686 50 0 DCAARN C[C@H]1CN(C(=O)CCNc2ncnc3c2cnn3C)C[C@H](C)O1 ZINC000052445202 395863237 /nfs/dbraw/zinc/86/32/37/395863237.db2.gz ZZRXCECZQRXLSN-QWRGUYRKSA-N 0 0 318.381 0.801 50 0 DCAARN Cc1ccc([C@H](C)NC(=O)CN2CCS(=O)(=O)CC2)cc1 ZINC000052473501 395863939 /nfs/dbraw/zinc/86/39/39/395863939.db2.gz WLNKLMJLEYRDPF-ZDUSSCGKSA-N 0 0 310.419 0.903 50 0 DCAARN CN(C)c1noc(CNC(=O)N(C)CCCn2ccnc2)n1 ZINC000225853470 395864502 /nfs/dbraw/zinc/86/45/02/395864502.db2.gz QGSHQTCULJFELM-UHFFFAOYSA-N 0 0 307.358 0.564 50 0 DCAARN CNC(=O)COc1cccc(NC(=O)c2cccc[n+]2[O-])c1 ZINC000052733589 395869073 /nfs/dbraw/zinc/86/90/73/395869073.db2.gz FKMMUVPVJQUHJQ-UHFFFAOYSA-N 0 0 301.302 0.697 50 0 DCAARN CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000229756019 395875471 /nfs/dbraw/zinc/87/54/71/395875471.db2.gz OJRJKYVMFKNYFP-VXGBXAGGSA-N 0 0 324.468 0.472 50 0 DCAARN CN(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(Cl)cn1 ZINC000053080513 395876405 /nfs/dbraw/zinc/87/64/05/395876405.db2.gz UYOREJMLILUCMI-UHFFFAOYSA-N 0 0 310.785 0.895 50 0 DCAARN CSCC[C@H](CO)NC(=O)C1CCN(c2ncccn2)CC1 ZINC000230210496 395879447 /nfs/dbraw/zinc/87/94/47/395879447.db2.gz ZMUGGNLVIBHAGO-CYBMUJFWSA-N 0 0 324.450 0.923 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000057286395 395942341 /nfs/dbraw/zinc/94/23/41/395942341.db2.gz GGYCZUDRINBXJD-LLVKDONJSA-N 0 0 308.357 0.792 50 0 DCAARN CNC(=O)[C@H](C)Sc1nnnn1-c1cc(OC)ccc1OC ZINC000058342585 395953023 /nfs/dbraw/zinc/95/30/23/395953023.db2.gz NVNAVTMZRGVVKZ-QMMMGPOBSA-N 0 0 323.378 0.906 50 0 DCAARN Cn1nccc1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000063542102 395978682 /nfs/dbraw/zinc/97/86/82/395978682.db2.gz MUHXNBJTOOFXLH-AWEZNQCLSA-N 0 0 310.423 0.358 50 0 DCAARN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)[C@H]1CCNC(=O)C1 ZINC000153257892 396022925 /nfs/dbraw/zinc/02/29/25/396022925.db2.gz RQMVPPXLTLDCLN-UONOGXRCSA-N 0 0 321.421 0.810 50 0 DCAARN CN1CC[C@@H](NS(=O)(=O)N2CCC[C@H]2c2ccco2)C1=O ZINC000252671819 396024141 /nfs/dbraw/zinc/02/41/41/396024141.db2.gz OJEXERYTHMIPRI-MNOVXSKESA-N 0 0 313.379 0.482 50 0 DCAARN CCCN1C[C@@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)CC1=O ZINC000067446820 396026214 /nfs/dbraw/zinc/02/62/14/396026214.db2.gz DMVMWWRZWYJWAU-JTQLQIEISA-N 0 0 314.345 0.664 50 0 DCAARN CC[C@@H](C(=O)N1CCn2c(C(N)=O)cnc2C1)n1cccn1 ZINC000067446605 396026381 /nfs/dbraw/zinc/02/63/81/396026381.db2.gz IEDVDIQHEUJPTA-JTQLQIEISA-N 0 0 302.338 0.172 50 0 DCAARN CCOCC(=O)N1CC(F)(F)C[C@H]1c1nc(C(=O)NC)no1 ZINC000253406084 396026810 /nfs/dbraw/zinc/02/68/10/396026810.db2.gz ISNXNIFPUWKINJ-ZETCQYMHSA-N 0 0 318.280 0.374 50 0 DCAARN COc1ccc(CNC(=O)[C@H](O)c2cncn2C)c(OC)c1 ZINC000253405169 396027071 /nfs/dbraw/zinc/02/70/71/396027071.db2.gz HSQXTZRLYUCENN-CQSZACIVSA-N 0 0 305.334 0.787 50 0 DCAARN C[C@@H]1C[C@@H](C(=O)NCCOc2ccccc2F)NC(=S)N1 ZINC000067514015 396027742 /nfs/dbraw/zinc/02/77/42/396027742.db2.gz LJYUZYVVILBZCF-KOLCDFICSA-N 0 0 311.382 0.946 50 0 DCAARN COC[C@@H]1CN(c2ncccn2)C[C@H]1C(=O)N1CCOCC1 ZINC000253413414 396027729 /nfs/dbraw/zinc/02/77/29/396027729.db2.gz USTJTGHYHPKWRF-QWHCGFSZSA-N 0 0 306.366 0.034 50 0 DCAARN CCc1ncnc(NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c1F ZINC000253416842 396028126 /nfs/dbraw/zinc/02/81/26/396028126.db2.gz BSXXINTZHYKKBG-RMLUDKJBSA-N 0 0 307.329 0.968 50 0 DCAARN COc1cc(N[C@@H]2CCCN(S(N)(=O)=O)C2)cc(OC)c1 ZINC000253428128 396028485 /nfs/dbraw/zinc/02/84/85/396028485.db2.gz HIHLCHFCCSTQSB-SNVBAGLBSA-N 0 0 315.395 0.784 50 0 DCAARN NC(=O)c1cccnc1N[C@H]1C[C@@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000253535520 396029523 /nfs/dbraw/zinc/02/95/23/396029523.db2.gz ZAEJHXHONJNRDK-OCAPTIKFSA-N 0 0 300.322 0.616 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)N1CC[C@@H](c2ncon2)C1 ZINC000253472680 396029664 /nfs/dbraw/zinc/02/96/64/396029664.db2.gz OLMNSNHXNSBGEK-SNVBAGLBSA-N 0 0 314.301 0.994 50 0 DCAARN C[N@@H+]1CCN(C(=O)c2ccccc2-n2cncn2)C[C@H]1C(=O)[O-] ZINC000067654390 396030178 /nfs/dbraw/zinc/03/01/78/396030178.db2.gz GFNTXXMSQRYAFN-ZDUSSCGKSA-N 0 0 315.333 0.108 50 0 DCAARN Cc1nnsc1CN(C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000253537252 396030394 /nfs/dbraw/zinc/03/03/94/396030394.db2.gz HFRUWHBYGWKJLB-UHFFFAOYSA-N 0 0 305.367 0.861 50 0 DCAARN Cn1cc(C=c2sc(=CC(=O)c3ccco3)n(C)c2=O)cn1 ZINC000254893987 396032069 /nfs/dbraw/zinc/03/20/69/396032069.db2.gz GNILKRMGXNVZTO-UHFFFAOYSA-N 0 0 315.354 0.266 50 0 DCAARN Cn1c(=O)c2nc(N=NCc3ccccc3)cnc2n(C)c1=O ZINC000254590109 396032319 /nfs/dbraw/zinc/03/23/19/396032319.db2.gz KFMHTRPROCQHBH-UHFFFAOYSA-N 0 0 310.317 0.473 50 0 DCAARN C[C@@]1(C2CCN(c3ncnc4c3CCC4)CC2)NC(=O)NC1=O ZINC000067770990 396033320 /nfs/dbraw/zinc/03/33/20/396033320.db2.gz QZIVUGCKQYLMKG-INIZCTEOSA-N 0 0 315.377 0.780 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](NC(=O)c2n[nH]c3c2CCCC3)CN1C ZINC000067805482 396033995 /nfs/dbraw/zinc/03/39/95/396033995.db2.gz DOETZJOOCDEXDY-SKDRFNHKSA-N 0 0 306.366 0.264 50 0 DCAARN Cn1nc(CN2CCOCC2)c2c1CCN(C(=O)C1(C)CC1)C2 ZINC000257179620 396034342 /nfs/dbraw/zinc/03/43/42/396034342.db2.gz CVHNHUUGXGWJBQ-UHFFFAOYSA-N 0 0 318.421 0.937 50 0 DCAARN CC(=O)N[C@@H]1CN(C(=O)c2nn(C)c3ccccc32)C[C@H]1CO ZINC000257184398 396034351 /nfs/dbraw/zinc/03/43/51/396034351.db2.gz INNIDXGUOMBPQH-WCQYABFASA-N 0 0 316.361 0.142 50 0 DCAARN Cc1cc(CNC(=O)c2cc(CN3CCOCC3)on2)[nH]n1 ZINC000067784582 396034431 /nfs/dbraw/zinc/03/44/31/396034431.db2.gz AUKNBVROJXAHMF-UHFFFAOYSA-N 0 0 305.338 0.468 50 0 DCAARN CC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N1CCOCC1 ZINC000257186957 396035019 /nfs/dbraw/zinc/03/50/19/396035019.db2.gz LAUZQPWMBKGKHM-HOTGVXAUSA-N 0 0 318.373 0.914 50 0 DCAARN CC[C@@H]1CN(C(=O)c2cc(CN3CCOCC3)on2)CCN1C ZINC000067843038 396036115 /nfs/dbraw/zinc/03/61/15/396036115.db2.gz JNWVZICKBLELMY-CYBMUJFWSA-N 0 0 322.409 0.673 50 0 DCAARN Cc1cnc(C(=O)N2CCOCCNC(=O)[C@@H]3CCC[C@@H]32)cn1 ZINC000257196113 396036262 /nfs/dbraw/zinc/03/62/62/396036262.db2.gz XPRFDLGGPJXEBJ-OCCSQVGLSA-N 0 0 318.377 0.542 50 0 DCAARN Cc1cc(C)n(CCCC(=O)N2CC[N@@H+](C)[C@H](C(=O)[O-])C2)n1 ZINC000067894375 396037763 /nfs/dbraw/zinc/03/77/63/396037763.db2.gz MMDOLUJHMQKVAE-ZDUSSCGKSA-N 0 0 308.382 0.507 50 0 DCAARN CCNC(=O)N1CCN(C(=O)c2cccnc2N(C)C)CC1 ZINC000068239305 396051136 /nfs/dbraw/zinc/05/11/36/396051136.db2.gz FRVHCTSEKMUBAC-UHFFFAOYSA-N 0 0 305.382 0.635 50 0 DCAARN Cc1ccc(C(=O)NC2CCN(CC(=O)N(C)C)CC2)cn1 ZINC000068602885 396060999 /nfs/dbraw/zinc/06/09/99/396060999.db2.gz NISLUJZVEYCMQD-UHFFFAOYSA-N 0 0 304.394 0.672 50 0 DCAARN Cn1ccnc1[C@H]1CNCCN1C(=O)COc1ccccc1 ZINC000261820027 396069832 /nfs/dbraw/zinc/06/98/32/396069832.db2.gz XTXKWJXLZMOLQU-CQSZACIVSA-N 0 0 300.362 0.972 50 0 DCAARN Cc1nc(N(CCCCO)C2CC2)sc1S(N)(=O)=O ZINC000252479142 396020137 /nfs/dbraw/zinc/02/01/37/396020137.db2.gz AZYLRKBMCFAGCL-UHFFFAOYSA-N 0 0 305.425 0.840 50 0 DCAARN CCN1c2ccc(S(=O)(=O)NCCOC)cc2CCC1=O ZINC000252503717 396021722 /nfs/dbraw/zinc/02/17/22/396021722.db2.gz VGAAMYXGYBFFJT-UHFFFAOYSA-N 0 0 312.391 0.910 50 0 DCAARN Cc1cc(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)on1 ZINC000069662443 396086386 /nfs/dbraw/zinc/08/63/86/396086386.db2.gz ZNYBZUPIOQHMCY-GFCCVEGCSA-N 0 0 304.354 0.925 50 0 DCAARN O=C(NCc1nnc2n1CCCC2)c1nc2ccccc2c(=O)[nH]1 ZINC000069699129 396086885 /nfs/dbraw/zinc/08/68/85/396086885.db2.gz JSDJXXYTOQQIIB-UHFFFAOYSA-N 0 0 324.344 0.781 50 0 DCAARN COCCN1CCN(CCS(=O)(=O)C(F)(F)F)C[C@H]1C ZINC000069844736 396091703 /nfs/dbraw/zinc/09/17/03/396091703.db2.gz DLMFDZGRTAZNPL-SNVBAGLBSA-N 0 0 318.361 0.574 50 0 DCAARN Cc1noc(C)c1CC(=O)NC[C@@H]1Cn2cccc2C(=O)N1C ZINC000169778810 396091872 /nfs/dbraw/zinc/09/18/72/396091872.db2.gz YXRFETINZROERS-GFCCVEGCSA-N 0 0 316.361 0.906 50 0 DCAARN CCC(=O)N1CCC(N2C(=O)[C@@H](OC)C23CCOCC3)CC1 ZINC000169788199 396092689 /nfs/dbraw/zinc/09/26/89/396092689.db2.gz TUJAXGYKNFYSES-CQSZACIVSA-N 0 0 310.394 0.794 50 0 DCAARN C[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]2CCCC[C@H]12 ZINC000069926985 396095252 /nfs/dbraw/zinc/09/52/52/396095252.db2.gz AXWTVVDLZAPLKR-UTUOFQBUSA-N 0 0 321.377 0.834 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCC(n3cncn3)CC2)cn1 ZINC000170616489 396095848 /nfs/dbraw/zinc/09/58/48/396095848.db2.gz BYDRRPLXYNEEAE-UHFFFAOYSA-N 0 0 323.378 0.708 50 0 DCAARN CCN(C(=O)[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 ZINC000170646475 396095880 /nfs/dbraw/zinc/09/58/80/396095880.db2.gz ZMWGXDAFYOGNDE-NXEZZACHSA-N 0 0 309.478 0.871 50 0 DCAARN CC(C)c1nc(CCNC(=O)CCNS(C)(=O)=O)cs1 ZINC000171014988 396104251 /nfs/dbraw/zinc/10/42/51/396104251.db2.gz ZGCAJTXDAPZAAY-UHFFFAOYSA-N 0 0 319.452 0.865 50 0 DCAARN O=C(NCCc1cccs1)C1CN(C(=O)c2cnccn2)C1 ZINC000070809124 396105248 /nfs/dbraw/zinc/10/52/48/396105248.db2.gz XGNLFAONCYJMBO-UHFFFAOYSA-N 0 0 316.386 0.969 50 0 DCAARN O=C(CN1CCN(C(=O)C2CCOCC2)CC1)N1CCCCC1 ZINC000071062212 396109321 /nfs/dbraw/zinc/10/93/21/396109321.db2.gz BDQOVWOKIDLHOR-UHFFFAOYSA-N 0 0 323.437 0.570 50 0 DCAARN Cc1c(C(=O)N2CCNC(=O)C2)sc2[nH]c(C)nc(=O)c12 ZINC000071281674 396111983 /nfs/dbraw/zinc/11/19/83/396111983.db2.gz YLGZCGHZZPEBLP-UHFFFAOYSA-N 0 0 306.347 0.173 50 0 DCAARN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000071808787 396115554 /nfs/dbraw/zinc/11/55/54/396115554.db2.gz HVUYSYRFNCSINP-UWVGGRQHSA-N 0 0 314.345 0.649 50 0 DCAARN Cc1cc(CN2CCN(C(=O)c3cc(C)nn3C)CC2)on1 ZINC000071817196 396116064 /nfs/dbraw/zinc/11/60/64/396116064.db2.gz REVFYVBPCZFERS-UHFFFAOYSA-N 0 0 303.366 0.983 50 0 DCAARN CC(C)[C@@H](C(=O)N1CCN(c2cnccn2)CC1)n1cncn1 ZINC000071819731 396116319 /nfs/dbraw/zinc/11/63/19/396116319.db2.gz WVDGLYLHWALIQP-AWEZNQCLSA-N 0 0 315.381 0.614 50 0 DCAARN NC(=O)[C@@H](CNC(=O)c1ccc(=O)[nH]c1)Cc1ccc(F)cc1 ZINC000071841569 396118378 /nfs/dbraw/zinc/11/83/78/396118378.db2.gz YSVNCKKEQOPFAV-GFCCVEGCSA-N 0 0 317.320 0.588 50 0 DCAARN COCCS(=O)(=O)c1ccc(C(=O)NCc2cc[nH]n2)cc1 ZINC000071850959 396118448 /nfs/dbraw/zinc/11/84/48/396118448.db2.gz JADMZOFZVSHYHL-UHFFFAOYSA-N 0 0 323.374 0.760 50 0 DCAARN O=C(N[C@@H]1CC(=O)N(Cc2ccccc2)C1)N1CCOCC1 ZINC000071856571 396118689 /nfs/dbraw/zinc/11/86/89/396118689.db2.gz GOMRPTQFYYXTOG-CQSZACIVSA-N 0 0 303.362 0.829 50 0 DCAARN O=C(CCc1ccccn1)N1CCC2(CC1)NC(=O)NC2=O ZINC000071841940 396118916 /nfs/dbraw/zinc/11/89/16/396118916.db2.gz CUTRPBBXTKMJFV-UHFFFAOYSA-N 0 0 302.334 0.215 50 0 DCAARN CC(C)c1nccn1[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000071870855 396120229 /nfs/dbraw/zinc/12/02/29/396120229.db2.gz HOHLJASZISMTRG-GFCCVEGCSA-N 0 0 303.370 0.857 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)Cc2cn3ccccc3n2)CC1 ZINC000071881027 396122602 /nfs/dbraw/zinc/12/26/02/396122602.db2.gz MIPKSWQMQXGNJK-HNNXBMFYSA-N 0 0 316.405 0.792 50 0 DCAARN CC(C)[C@H](NC(=O)CNC(=O)/C=C/c1ccccc1)C(N)=O ZINC000071886032 396123894 /nfs/dbraw/zinc/12/38/94/396123894.db2.gz CHYXJCOJUMJVFA-HVHJFMEUSA-N 0 0 303.362 0.442 50 0 DCAARN O=C(CCn1ccccc1=O)N1CCC[C@@H](n2cncn2)C1 ZINC000072234848 396127302 /nfs/dbraw/zinc/12/73/02/396127302.db2.gz GLMOJQMIRABZOW-CYBMUJFWSA-N 0 0 301.350 0.694 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)c2c(C)noc2C)CC1 ZINC000072269660 396128761 /nfs/dbraw/zinc/12/87/61/396128761.db2.gz OMINJDOPLSSEPQ-ZDUSSCGKSA-N 0 0 311.382 0.447 50 0 DCAARN CN(C)c1ccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)nn1 ZINC000072269907 396129143 /nfs/dbraw/zinc/12/91/43/396129143.db2.gz IFNGWQLIRITOQJ-ZIAGYGMSSA-N 0 0 319.409 0.214 50 0 DCAARN Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000072290689 396129844 /nfs/dbraw/zinc/12/98/44/396129844.db2.gz HPGAQBSVIYYDTN-OGHNNQOOSA-N 0 0 313.357 0.909 50 0 DCAARN CC(C)S(=O)(=O)N1CC[C@@H](N[C@H]2C[C@@H](C)OC2=O)[C@@H](C)C1 ZINC000072300496 396130665 /nfs/dbraw/zinc/13/06/65/396130665.db2.gz DNRFLUSWJPMOCL-LOWDOPEQSA-N 0 0 318.439 0.729 50 0 DCAARN Cc1noc([C@@H](C)N2CCN(CCn3ccccc3=O)CC2)n1 ZINC000069348215 396076108 /nfs/dbraw/zinc/07/61/08/396076108.db2.gz TWFOBUZBPTYBJV-CYBMUJFWSA-N 0 0 317.393 0.919 50 0 DCAARN C[C@@H]1CN(CCCS(C)(=O)=O)CCN1Cc1nccn1C ZINC000069442865 396078561 /nfs/dbraw/zinc/07/85/61/396078561.db2.gz GRHBPVZMAWRCDE-CYBMUJFWSA-N 0 0 314.455 0.361 50 0 DCAARN C[C@H](c1cccnc1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000069463701 396079562 /nfs/dbraw/zinc/07/95/62/396079562.db2.gz LIDWOOGVJBPJOE-OAHLLOKOSA-N 0 0 318.421 0.619 50 0 DCAARN CCNC(=O)CNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C ZINC000069559861 396082956 /nfs/dbraw/zinc/08/29/56/396082956.db2.gz DSQMSRSHDXGSPL-SNVBAGLBSA-N 0 0 315.439 0.576 50 0 DCAARN CCc1c(=O)[nH]c(=O)[nH]c1N1CCN(c2ccccc2)CC1 ZINC000075260859 396178619 /nfs/dbraw/zinc/17/86/19/396178619.db2.gz DERDQZQXPLXWNO-UHFFFAOYSA-N 0 0 300.362 0.952 50 0 DCAARN COC(=O)C1=C(C(C)=O)NN(c2ccccc2)[C@@H]1C(=O)OC ZINC000075286105 396178887 /nfs/dbraw/zinc/17/88/87/396178887.db2.gz KTCOESHXEDWQTQ-AAEUAGOBSA-N 0 0 304.302 0.782 50 0 DCAARN CCc1cnc(CN(C)[C@@H]2CCN(CCS(C)(=O)=O)C2)o1 ZINC000076047785 396192996 /nfs/dbraw/zinc/19/29/96/396192996.db2.gz IIZQANAPPNVNKG-GFCCVEGCSA-N 0 0 315.439 0.788 50 0 DCAARN CCc1nc([C@H]2CCCN2C(=O)CN2CSCC2=O)no1 ZINC000076044066 396193196 /nfs/dbraw/zinc/19/31/96/396193196.db2.gz WUYLLFNPTNHLOF-SECBINFHSA-N 0 0 310.379 0.828 50 0 DCAARN CCn1nc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1=O ZINC000076053293 396194911 /nfs/dbraw/zinc/19/49/11/396194911.db2.gz PSLBLSKJYFUXOK-TZMCWYRMSA-N 0 0 320.393 0.056 50 0 DCAARN COCCN1CCN(Cc2cnc3ccc(C)cn23)CC1=O ZINC000181578117 396239535 /nfs/dbraw/zinc/23/95/35/396239535.db2.gz YCXIOJMWSLVESU-UHFFFAOYSA-N 0 0 302.378 0.933 50 0 DCAARN CCc1nc(CN(C)[C@@H]2CCN([C@@H]3C[C@H](C)OC3=O)C2)no1 ZINC000078891527 396255983 /nfs/dbraw/zinc/25/59/83/396255983.db2.gz DNVYURGPNXMUQJ-QJPTWQEYSA-N 0 0 308.382 0.842 50 0 DCAARN Cc1nnc([C@H]2CN(C(=O)COCC(F)(F)F)CCO2)[nH]1 ZINC000078888631 396256215 /nfs/dbraw/zinc/25/62/15/396256215.db2.gz CHYIZXMHXJJCSI-MRVPVSSYSA-N 0 0 308.260 0.592 50 0 DCAARN CCCc1nnc([C@H]2CN(C(=O)c3cnns3)CCO2)[nH]1 ZINC000078889873 396256273 /nfs/dbraw/zinc/25/62/73/396256273.db2.gz ULPHAULQMSSWFU-MRVPVSSYSA-N 0 0 308.367 0.822 50 0 DCAARN CC(C)N1C[C@@H](C(=O)NCc2cnn3cccnc23)CC1=O ZINC000077287778 396217561 /nfs/dbraw/zinc/21/75/61/396217561.db2.gz OHGVDURCKLZLQH-NSHDSACASA-N 0 0 301.350 0.602 50 0 DCAARN CCN(Cc1cc(=O)c(OC)co1)[C@H]1CCS(=O)(=O)C1 ZINC000077406805 396221160 /nfs/dbraw/zinc/22/11/60/396221160.db2.gz GQXDKUFRCMQRHW-JTQLQIEISA-N 0 0 301.364 0.657 50 0 DCAARN O=C(CCn1c(=O)[nH]c2ccccc21)N1CCOC[C@@H](CO)C1 ZINC000077506189 396224986 /nfs/dbraw/zinc/22/49/86/396224986.db2.gz ZRIAFQPFVUFKHJ-GFCCVEGCSA-N 0 0 319.361 0.187 50 0 DCAARN O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCOC[C@@H](CO)C1 ZINC000077565074 396226605 /nfs/dbraw/zinc/22/66/05/396226605.db2.gz ANKSWQHEJRPVOJ-LLVKDONJSA-N 0 0 302.334 0.553 50 0 DCAARN COCC(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000077666397 396227934 /nfs/dbraw/zinc/22/79/34/396227934.db2.gz TXTQXBRZNZQEMB-AWEZNQCLSA-N 0 0 308.378 0.217 50 0 DCAARN CCN1CCN(C(=O)CNc2ncnc3onc(C)c32)CC1 ZINC000192450192 396431379 /nfs/dbraw/zinc/43/13/79/396431379.db2.gz FBCHYIPCMMJFED-UHFFFAOYSA-N 0 0 304.354 0.502 50 0 DCAARN COc1cccc2ncn(C[C@H]3CN(C)CCN3C)c(=O)c21 ZINC000584891905 396634025 /nfs/dbraw/zinc/63/40/25/396634025.db2.gz JWVBENNNBDPYLF-GFCCVEGCSA-N 0 0 302.378 0.651 50 0 DCAARN O=C(CCCn1cnnn1)NCc1nc(-c2ccccn2)no1 ZINC000584892625 396634320 /nfs/dbraw/zinc/63/43/20/396634320.db2.gz QFAJFLZCWPQSQH-UHFFFAOYSA-N 0 0 314.309 0.215 50 0 DCAARN CCCCN1CCN(C(=O)c2cc(=O)c(OC)c[nH]2)CC1=O ZINC000584894581 396634683 /nfs/dbraw/zinc/63/46/83/396634683.db2.gz CLSZMRYXFYAALW-UHFFFAOYSA-N 0 0 307.350 0.468 50 0 DCAARN Cc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CSC(C)(C)C(=O)N2)n1 ZINC000584895686 396634960 /nfs/dbraw/zinc/63/49/60/396634960.db2.gz HFVVBFNEXJGVKK-VIFPVBQESA-N 0 0 324.406 0.160 50 0 DCAARN C[C@H](C(=O)N1CCN(CC(=O)N2CCCC2)CC1)n1cccc1 ZINC000584897061 396635313 /nfs/dbraw/zinc/63/53/13/396635313.db2.gz JXQKKZJBUYGAAE-OAHLLOKOSA-N 0 0 318.421 0.816 50 0 DCAARN O=C(CCn1cnnn1)NCc1nc(Cc2ccccc2)no1 ZINC000584900393 396636411 /nfs/dbraw/zinc/63/64/11/396636411.db2.gz UNMQZSDBKMITMW-UHFFFAOYSA-N 0 0 313.321 0.353 50 0 DCAARN Cc1ncn(CCNC(=O)[C@@H]2CCCCn3nnnc32)c1C ZINC000584900336 396636502 /nfs/dbraw/zinc/63/65/02/396636502.db2.gz BLHHFQLWXMWJGE-GFCCVEGCSA-N 0 0 303.370 0.570 50 0 DCAARN CC(C)NC(=O)Cn1cc(S(=O)(=O)N(C)C)nc1C(C)C ZINC000585137330 396641627 /nfs/dbraw/zinc/64/16/27/396641627.db2.gz SMJHNNKMMMGGAO-UHFFFAOYSA-N 0 0 316.427 0.781 50 0 DCAARN CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)NCCCn1ncccc1=O ZINC000585149617 396642084 /nfs/dbraw/zinc/64/20/84/396642084.db2.gz JWRJVLCNTRSVGW-DGCLKSJQSA-N 0 0 320.393 0.158 50 0 DCAARN CN1C[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)Cc2ccccc21 ZINC000585141744 396642194 /nfs/dbraw/zinc/64/21/94/396642194.db2.gz XLIBKZGPWVFLPR-CHWSQXEVSA-N 0 0 308.403 0.598 50 0 DCAARN Cc1ccc(O)c(C[N@@H+]2C[C@H](CC(=O)[O-])[C@H](c3c[nH]nn3)C2)n1 ZINC000299788678 396714101 /nfs/dbraw/zinc/71/41/01/396714101.db2.gz ZJCJQNLFSQCCQH-WDEREUQCSA-N 0 0 317.349 0.904 50 0 DCAARN CCOC1CC2(C1)CCN(C(=O)CN1CCCS1(=O)=O)C2 ZINC000375911459 396841711 /nfs/dbraw/zinc/84/17/11/396841711.db2.gz GPMOJEKFVNWOMW-UHFFFAOYSA-N 0 0 316.423 0.440 50 0 DCAARN Cc1nn(C)c2c1N(C(=O)c1cnc3c(c1)nnn3C)CCO2 ZINC000329651155 396847778 /nfs/dbraw/zinc/84/77/78/396847778.db2.gz CSGITBIIXYXEBN-UHFFFAOYSA-N 0 0 313.321 0.444 50 0 DCAARN O=C(Nc1cc(F)cc(F)c1)N[C@H](CO)CN1CCOCC1 ZINC000630093830 396940390 /nfs/dbraw/zinc/94/03/90/396940390.db2.gz RIBQICLMZLBSML-ZDUSSCGKSA-N 0 0 315.320 0.779 50 0 DCAARN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](N2CCOCC2)C1 ZINC000572234513 397036257 /nfs/dbraw/zinc/03/62/57/397036257.db2.gz BYIGXIKZCWABDS-LBPRGKRZSA-N 0 0 323.353 0.115 50 0 DCAARN Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000378029480 397182847 /nfs/dbraw/zinc/18/28/47/397182847.db2.gz UYJRJHJGLBNPIC-TZMCWYRMSA-N 0 0 306.410 0.972 50 0 DCAARN O=C(c1ccsc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000049428082 158010588 /nfs/dbraw/zinc/01/05/88/158010588.db2.gz HDVPEILHORPKNW-LBPRGKRZSA-N 0 0 314.432 0.693 50 0 DCAARN Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(C(N)=O)s1)CC2 ZINC000171459566 158383534 /nfs/dbraw/zinc/38/35/34/158383534.db2.gz RIKKJBZFYIHEPM-MRVPVSSYSA-N 0 0 305.363 0.492 50 0 DCAARN CO[C@H](C)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000407968047 159999179 /nfs/dbraw/zinc/99/91/79/159999179.db2.gz FCUAAJPPQBBXRE-LLVKDONJSA-N 0 0 304.412 0.438 50 0 DCAARN CCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)[nH]c(=O)n2C ZINC000012517953 415150611 /nfs/dbraw/zinc/15/06/11/415150611.db2.gz DOCVSJHQKSPMEE-UHFFFAOYSA-N 0 0 302.338 0.554 50 0 DCAARN CCCCn1nnnc1CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000025063401 415157445 /nfs/dbraw/zinc/15/74/45/415157445.db2.gz MLMNCCVUXBUJSQ-UHFFFAOYSA-N 0 0 308.342 0.420 50 0 DCAARN CCOC(=O)COc1cccc(NC(=O)[C@H]2COCCO2)c1 ZINC000025275393 415161053 /nfs/dbraw/zinc/16/10/53/415161053.db2.gz BLBDPVFCMZZMIA-CYBMUJFWSA-N 0 0 309.318 0.982 50 0 DCAARN COCCCNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000025376870 415163509 /nfs/dbraw/zinc/16/35/09/415163509.db2.gz VLVXQTJZDQVMJV-UHFFFAOYSA-N 0 0 305.334 0.505 50 0 DCAARN CCNC(=O)NC(=O)CSc1nnc(C(F)(F)F)n1C ZINC000006886622 415132576 /nfs/dbraw/zinc/13/25/76/415132576.db2.gz GGBCLBKOZGPMIA-UHFFFAOYSA-N 0 0 311.289 0.772 50 0 DCAARN O=C(Cn1nnc2ccccc2c1=O)NCCOc1ccccc1 ZINC000006879638 415135046 /nfs/dbraw/zinc/13/50/46/415135046.db2.gz LARHJPIRZKBTOD-UHFFFAOYSA-N 0 0 324.340 0.987 50 0 DCAARN CO[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000006299014 415135194 /nfs/dbraw/zinc/13/51/94/415135194.db2.gz RTVWBDNQHISFHI-SECZAETPSA-N 0 0 304.295 0.173 50 0 DCAARN COc1cc(CCC(=O)NCCNC(C)=O)cc(OC)c1OC ZINC000006945988 415137730 /nfs/dbraw/zinc/13/77/30/415137730.db2.gz ZBIMJYJQVZHUND-UHFFFAOYSA-N 0 0 324.377 0.897 50 0 biogenic DCAARN O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(Br)o1 ZINC000008906999 415143111 /nfs/dbraw/zinc/14/31/11/415143111.db2.gz NZLUSPZCIHXLDY-UHFFFAOYSA-N 0 0 300.068 0.671 50 0 DCAARN COc1ccc(OC)c2c1CN(CCC(=O)NC(N)=O)C[C@@H]2O ZINC000026159317 415166362 /nfs/dbraw/zinc/16/63/62/415166362.db2.gz HVLSGBJUTCNYHI-JTQLQIEISA-N 0 0 323.349 0.138 50 0 DCAARN CN(CC(N)=O)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027295603 415171031 /nfs/dbraw/zinc/17/10/31/415171031.db2.gz NXWNZXBTTIQPAN-UHFFFAOYSA-N 0 0 303.284 0.896 50 0 DCAARN C[C@@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[C@@H]1CCCO1 ZINC000027893842 415171624 /nfs/dbraw/zinc/17/16/24/415171624.db2.gz ZGYGEXLKSNNISN-PELKAZGASA-N 0 0 303.318 0.514 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccco2)n(C)c1 ZINC000027403610 415174692 /nfs/dbraw/zinc/17/46/92/415174692.db2.gz UQXWPDUQKKBNOD-UHFFFAOYSA-N 0 0 311.363 0.798 50 0 DCAARN CCn1cc([C@H]2CS(=O)(=O)CCN2Cc2ccn(C)n2)cn1 ZINC000331672182 415180876 /nfs/dbraw/zinc/18/08/76/415180876.db2.gz UTQQTCISMVRBPM-CQSZACIVSA-N 0 0 323.422 0.608 50 0 DCAARN COCCNC(=O)[C@H](C)S(=O)(=O)c1ccc(OC)cc1 ZINC000044947807 415233655 /nfs/dbraw/zinc/23/36/55/415233655.db2.gz PIEFKDMQVJIUMC-JTQLQIEISA-N 0 0 301.364 0.620 50 0 DCAARN COC[C@H](C)NC(=O)CS(=O)(=O)c1cccc(OC)c1 ZINC000044947710 415234500 /nfs/dbraw/zinc/23/45/00/415234500.db2.gz HFOFBDBIMAPBLU-JTQLQIEISA-N 0 0 301.364 0.620 50 0 DCAARN Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000044947279 415235472 /nfs/dbraw/zinc/23/54/72/415235472.db2.gz LNGUAYVFGFGTQQ-CYBMUJFWSA-N 0 0 324.402 0.554 50 0 DCAARN O=C(NCc1cccnc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000044918798 415236406 /nfs/dbraw/zinc/23/64/06/415236406.db2.gz YBAIUHOIJLNMLQ-GFCCVEGCSA-N 0 0 320.374 0.318 50 0 DCAARN c1nc2ncnc(NC[C@]3(N4CCOCC4)CCSC3)c2[nH]1 ZINC000044975864 415238542 /nfs/dbraw/zinc/23/85/42/415238542.db2.gz GOKVBFHSKUPHJA-CQSZACIVSA-N 0 0 320.422 0.973 50 0 DCAARN O=C(N[C@@H]1CCCCNC1=O)N1CCN(c2nccs2)CC1 ZINC000044967952 415239053 /nfs/dbraw/zinc/23/90/53/415239053.db2.gz WOOIXUFWKUWJQS-LLVKDONJSA-N 0 0 323.422 0.643 50 0 DCAARN Cc1cc(CN2CCN(C[C@@H](O)Cn3cccn3)CC2)on1 ZINC000044974292 415240490 /nfs/dbraw/zinc/24/04/90/415240490.db2.gz VBFABLKFRPXDNG-CQSZACIVSA-N 0 0 305.382 0.358 50 0 DCAARN O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NCC1CC1 ZINC000045130152 415241665 /nfs/dbraw/zinc/24/16/65/415241665.db2.gz IUMDOVXIDQFBQY-UHFFFAOYSA-N 0 0 308.382 0.950 50 0 DCAARN O=C1CCc2cc(S(=O)(=O)NC[C@H]3CCOC3)ccc2N1 ZINC000045743070 415251945 /nfs/dbraw/zinc/25/19/45/415251945.db2.gz OULZHIMWXPVKKA-SNVBAGLBSA-N 0 0 310.375 0.886 50 0 DCAARN C[C@H](C(=O)NCc1ccc(Cn2cccn2)cc1)S(C)(=O)=O ZINC000045882458 415256660 /nfs/dbraw/zinc/25/66/60/415256660.db2.gz TVFIHQRTMAOUOJ-GFCCVEGCSA-N 0 0 321.402 0.981 50 0 DCAARN NS(=O)(=O)c1ccc(CNC(=O)CC[C@H]2CCCO2)cc1 ZINC000046306402 415258085 /nfs/dbraw/zinc/25/80/85/415258085.db2.gz VZSRQULRSUHBQL-GFCCVEGCSA-N 0 0 312.391 0.909 50 0 DCAARN CCc1nnc(CN2CCN(CC(=O)N[C@@H](C)CC)CC2)o1 ZINC000044743610 415223959 /nfs/dbraw/zinc/22/39/59/415223959.db2.gz BUIDCJHGLDJMMV-LBPRGKRZSA-N 0 0 309.414 0.664 50 0 DCAARN CCC(=O)c1ccc(OC[C@H](O)CN2C(=O)CN(C)C2=O)cc1 ZINC000044871039 415229774 /nfs/dbraw/zinc/22/97/74/415229774.db2.gz KXIPDUZAQUOXMZ-GFCCVEGCSA-N 0 0 320.345 0.913 50 0 DCAARN CNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000044891334 415229965 /nfs/dbraw/zinc/22/99/65/415229965.db2.gz CYXLMFVYNHLHOY-JTQLQIEISA-N 0 0 301.368 0.438 50 0 DCAARN CN(C)C(=O)Cn1cc(NC(=O)[C@@H]2Cc3ccccc3O2)cn1 ZINC000066384515 415355780 /nfs/dbraw/zinc/35/57/80/415355780.db2.gz VQNXZNZUNAAOCU-AWEZNQCLSA-N 0 0 314.345 0.914 50 0 DCAARN Cc1ccc([C@H](CNC(=O)Cn2cccn2)N2CCOCC2)o1 ZINC000048278948 415285706 /nfs/dbraw/zinc/28/57/06/415285706.db2.gz BFQKZHODWBUFNT-AWEZNQCLSA-N 0 0 318.377 0.974 50 0 DCAARN CCN(C[C@H]1CCOC1)C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000048262808 415288237 /nfs/dbraw/zinc/28/82/37/415288237.db2.gz WUAIDQQOEFABMX-VXGBXAGGSA-N 0 0 304.412 0.295 50 0 DCAARN CC(=O)N1CCCN(C(=O)c2cnc3n(c2=O)CCS3)CC1 ZINC000048286900 415288320 /nfs/dbraw/zinc/28/83/20/415288320.db2.gz HRWZYHVUOWVCGH-UHFFFAOYSA-N 0 0 322.390 0.043 50 0 DCAARN CS(=O)(=O)NC1(C(=O)NC[C@H]2CCCO2)CCCCC1 ZINC000048963684 415301304 /nfs/dbraw/zinc/30/13/04/415301304.db2.gz PVSCKVCQPQHJTJ-LLVKDONJSA-N 0 0 304.412 0.534 50 0 DCAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCSCC1 ZINC000049214733 415306063 /nfs/dbraw/zinc/30/60/63/415306063.db2.gz LERAKOBKRGIGCX-UHFFFAOYSA-N 0 0 311.407 0.817 50 0 DCAARN C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCOCC1 ZINC000058305485 415341525 /nfs/dbraw/zinc/34/15/25/415341525.db2.gz AGJSWIOEVDIANI-LLVKDONJSA-N 0 0 320.345 0.435 50 0 DCAARN CN1C[C@]2(CCN(C(=O)c3[nH]nc4c3CN(C)CC4)C2)OC1=O ZINC000072145672 415409981 /nfs/dbraw/zinc/40/99/81/415409981.db2.gz CIXODAKJUQCTAR-HNNXBMFYSA-N 0 0 319.365 0.064 50 0 DCAARN CCn1cc(S(=O)(=O)NCC[C@H]2CN(CC)CCO2)cn1 ZINC000067677178 415379379 /nfs/dbraw/zinc/37/93/79/415379379.db2.gz VWONHVCLMNNPGR-LBPRGKRZSA-N 0 0 316.427 0.292 50 0 DCAARN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N[C@@H](C)CO ZINC000084638268 415495808 /nfs/dbraw/zinc/49/58/08/415495808.db2.gz YEEPZEQTQANXPP-CABCVRRESA-N 0 0 320.437 0.877 50 0 DCAARN O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N1CCN(C2CC2)CC1 ZINC000084432623 415496703 /nfs/dbraw/zinc/49/67/03/415496703.db2.gz JIALKYJHFIAWRV-CYBMUJFWSA-N 0 0 317.389 0.935 50 0 DCAARN Nc1noc(CCNC(=O)c2ccc(N3CCCC3)nc2)n1 ZINC000075093013 415433917 /nfs/dbraw/zinc/43/39/17/415433917.db2.gz IFQOAGZAXDEJJD-UHFFFAOYSA-N 0 0 302.338 0.620 50 0 DCAARN CO[C@H](C)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000075127516 415435843 /nfs/dbraw/zinc/43/58/43/415435843.db2.gz ACZKOELAEQMFCX-CHWSQXEVSA-N 0 0 311.426 0.613 50 0 DCAARN CSCC[C@](C)(O)CNC(=O)C(=O)NCC(F)(F)F ZINC000075157658 415436252 /nfs/dbraw/zinc/43/62/52/415436252.db2.gz KSPDOMSCJTULSH-VIFPVBQESA-N 0 0 302.318 0.285 50 0 DCAARN CSCC[C@](C)(O)CNC(=O)C(=O)NCCc1ccccc1 ZINC000075157616 415437444 /nfs/dbraw/zinc/43/74/44/415437444.db2.gz QPKQVAIGKQBFFC-INIZCTEOSA-N 0 0 324.446 0.966 50 0 DCAARN COc1cc(OC)c(NC(=O)CN2CC(=O)NC2=O)cc1F ZINC000075110330 415439089 /nfs/dbraw/zinc/43/90/89/415439089.db2.gz KGMWDNZAQZSJML-UHFFFAOYSA-N 0 0 311.269 0.333 50 0 DCAARN Cn1cccc1[C@H](O)CNC(=O)Cn1c(=O)oc2ccccc21 ZINC000075155066 415439270 /nfs/dbraw/zinc/43/92/70/415439270.db2.gz HBNMOLNAAVBELA-CYBMUJFWSA-N 0 0 315.329 0.783 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)c2ccc(-n3cnnc3)cc2)CC1 ZINC000075603008 415444764 /nfs/dbraw/zinc/44/47/64/415444764.db2.gz FGCXYBIKLFJUKP-CYBMUJFWSA-N 0 0 315.377 0.406 50 0 DCAARN COCCN(C)CC(=O)N1CCC2(CC1)[C@H](O)C[C@]2(C)OC ZINC000091997231 415538337 /nfs/dbraw/zinc/53/83/37/415538337.db2.gz INPLFXCBCTYAIK-HIFRSBDPSA-N 0 0 314.426 0.343 50 0 DCAARN C[C@H]1CN(CCCS(N)(=O)=O)CCN1c1nccs1 ZINC000095351871 415546885 /nfs/dbraw/zinc/54/68/85/415546885.db2.gz HOKRZWRDAKKYQG-JTQLQIEISA-N 0 0 304.441 0.332 50 0 DCAARN C[C@@H]1CN(CC(=O)NC2CCOCC2)CCN1c1nccs1 ZINC000095351874 415548366 /nfs/dbraw/zinc/54/83/66/415548366.db2.gz LGWVWUSGEMWVMD-GFCCVEGCSA-N 0 0 324.450 0.949 50 0 DCAARN C[C@@H](C(N)=O)N1CCN(c2ncc(Br)cn2)CC1 ZINC000095356519 415552455 /nfs/dbraw/zinc/55/24/55/415552455.db2.gz HBGKZBPDILDFKJ-QMMMGPOBSA-N 0 0 314.187 0.235 50 0 DCAARN CN(CC(N)=O)C(=O)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000095367684 415554463 /nfs/dbraw/zinc/55/44/63/415554463.db2.gz BXXGTKZGFSCQRS-UHFFFAOYSA-N 0 0 311.341 0.821 50 0 DCAARN O=C([C@@H]1CC(=O)N(Cc2ccccn2)C1)N1CCCOCC1 ZINC000095361208 415555201 /nfs/dbraw/zinc/55/52/01/415555201.db2.gz ODZSMHRUVQLNPN-CYBMUJFWSA-N 0 0 303.362 0.679 50 0 DCAARN CC(C)CN1CC2(CC1=O)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC000095383557 415556257 /nfs/dbraw/zinc/55/62/57/415556257.db2.gz GNPHWUQQAIBJDB-LBPRGKRZSA-N 0 0 322.409 0.165 50 0 DCAARN O=C(Cn1cnnn1)N1CC[C@@H](Cc2cccc(CO)c2)C1 ZINC000095376356 415559387 /nfs/dbraw/zinc/55/93/87/415559387.db2.gz JTPBMPDXYJOJAZ-ZDUSSCGKSA-N 0 0 301.350 0.257 50 0 DCAARN Cc1ncc(S(C)(=O)=O)c(N[C@H](C(N)=O)c2ccccc2)n1 ZINC000095380190 415559638 /nfs/dbraw/zinc/55/96/38/415559638.db2.gz HUOCBGXQBUIOLD-LBPRGKRZSA-N 0 0 320.374 0.827 50 0 DCAARN O=C(Cn1nnc2ccccc2c1=O)Nc1nnc(C2CC2)[nH]1 ZINC000095477531 415562785 /nfs/dbraw/zinc/56/27/85/415562785.db2.gz BLPDWCOVSFQSJL-UHFFFAOYSA-N 0 0 311.305 0.426 50 0 DCAARN Cc1cccc(CNC(=O)CN(C)c2ncnc3nc[nH]c32)n1 ZINC000095954325 415564654 /nfs/dbraw/zinc/56/46/54/415564654.db2.gz GCRMCDFQHWCNKL-UHFFFAOYSA-N 0 0 311.349 0.809 50 0 DCAARN Cn1ncc2c1ncc(C(=O)NCc1cn3ccccc3n1)c2O ZINC000096004524 415567088 /nfs/dbraw/zinc/56/70/88/415567088.db2.gz IXDYSDDSBPOSND-UHFFFAOYSA-N 0 0 322.328 0.839 50 0 DCAARN CC[C@H](CO)N1CCN(C(=O)c2ccn3ccnc3c2)CC1 ZINC000095976248 415568766 /nfs/dbraw/zinc/56/87/66/415568766.db2.gz HZUJTHPYFJQYAT-CQSZACIVSA-N 0 0 302.378 0.863 50 0 DCAARN CNC(=O)CN(C)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000102815179 415601282 /nfs/dbraw/zinc/60/12/82/415601282.db2.gz ZJYJDVWOPLSQFJ-GFCCVEGCSA-N 0 0 323.780 0.645 50 0 DCAARN Cc1noc(COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)n1 ZINC000102800579 415602200 /nfs/dbraw/zinc/60/22/00/415602200.db2.gz NFMAJBIHAKIJFK-NXEZZACHSA-N 0 0 307.306 0.596 50 0 DCAARN C[C@H]1OCCN(C(=O)Cc2noc3ccccc32)[C@@H]1C(N)=O ZINC000285194530 415611576 /nfs/dbraw/zinc/61/15/76/415611576.db2.gz DKPQBSATEOCRIL-OTYXRUKQSA-N 0 0 303.318 0.472 50 0 DCAARN C/C=C\Cn1c(=O)c2c(nc3n2[C@H](C)C(C)N=N3)n(C)c1=O ZINC000103406925 415616525 /nfs/dbraw/zinc/61/65/25/415616525.db2.gz JVIRTACXWPQCCW-SSJHQANKSA-N 0 0 302.338 0.835 50 0 DCAARN CC[C@@H]1CN(Cc2nnc(C3CC3)n2C)CC[N@@H+]1C[C@H](C)O ZINC000106841115 415648423 /nfs/dbraw/zinc/64/84/23/415648423.db2.gz MQHLPVFJGXJCBB-GXTWGEPZSA-N 0 0 307.442 0.970 50 0 DCAARN O=S(=O)(c1cccnc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000097048141 415579320 /nfs/dbraw/zinc/57/93/20/415579320.db2.gz SSZWMQLJUKYIGU-LBPRGKRZSA-N 0 0 307.379 0.774 50 0 DCAARN CO[C@@H]1CCCCC[C@@H]1Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000097011967 415582244 /nfs/dbraw/zinc/58/22/44/415582244.db2.gz GZCSBRRWFCTSEC-VHSXEESVSA-N 0 0 321.381 0.720 50 0 DCAARN CCNC(=O)CNc1ccc(-c2nc(C)c(C)c(=O)[nH]2)cn1 ZINC000097102971 415582828 /nfs/dbraw/zinc/58/28/28/415582828.db2.gz DYFOOHKTKWFRKH-UHFFFAOYSA-N 0 0 301.350 0.997 50 0 DCAARN Cn1cc(CNC(=O)N2CCNC(=O)C2)c(-c2ccccc2)n1 ZINC000097083298 415582847 /nfs/dbraw/zinc/58/28/47/415582847.db2.gz ANZLQANMXKUTEJ-UHFFFAOYSA-N 0 0 313.361 0.729 50 0 DCAARN C[C@@H](Nc1ccn(CC(F)(F)F)n1)C(=O)N1CCNC1=O ZINC000097148550 415586218 /nfs/dbraw/zinc/58/62/18/415586218.db2.gz INEBXHSUNIVWEF-SSDOTTSWSA-N 0 0 305.260 0.798 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)C[C@H]2C(=O)Nc3ccccc32)CC1 ZINC000100915644 415593774 /nfs/dbraw/zinc/59/37/74/415593774.db2.gz KLYSZPIUXVRPKJ-TZMCWYRMSA-N 0 0 317.389 0.637 50 0 DCAARN O=C(N[C@H]1C[C@H](CO)[C@@H](O)C1)c1cc(-c2ccccc2)n[nH]1 ZINC000107286284 415662564 /nfs/dbraw/zinc/66/25/64/415662564.db2.gz UZYPTTZDNVZLMP-XUJVJEKNSA-N 0 0 301.346 0.938 50 0 DCAARN Cc1ccc(-n2ccnc2)c(C(=O)NCCc2nnc(N)o2)c1 ZINC000355095501 415845187 /nfs/dbraw/zinc/84/51/87/415845187.db2.gz BMQVHVYKKUDIOL-UHFFFAOYSA-N 0 0 312.333 1.118 50 0 DCAARN CC[C@@H](NC(=O)c1sccc1S(=O)(=O)N(C)C)[C@H](C)O ZINC000334105243 415808059 /nfs/dbraw/zinc/80/80/59/415808059.db2.gz CSZKEWYJYRIBRN-DTWKUNHWSA-N 0 0 320.436 0.888 50 0 DCAARN Cn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CCOC3(C)C)cnc21 ZINC000296415437 415926236 /nfs/dbraw/zinc/92/62/36/415926236.db2.gz XKWUFPWXHGQWLX-JTQLQIEISA-N 0 0 318.333 0.331 50 0 DCAARN Cc1n[nH]c(CCC(=O)N2CCN(c3nc[nH]n3)CC2)c1C ZINC000299769616 416065481 /nfs/dbraw/zinc/06/54/81/416065481.db2.gz OQNFJRVNTSRVOB-UHFFFAOYSA-N 0 0 303.370 0.426 50 0 DCAARN CSCc1noc(CNC(=O)CN2CCCCCC2=O)n1 ZINC000299773447 416065988 /nfs/dbraw/zinc/06/59/88/416065988.db2.gz BJBZSICBSPUNLN-UHFFFAOYSA-N 0 0 312.395 0.951 50 0 DCAARN Cc1cc2c(cn1)CN(C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C2 ZINC000299779267 416067097 /nfs/dbraw/zinc/06/70/97/416067097.db2.gz QOFGRUXFOMTMJE-CQSZACIVSA-N 0 0 323.418 0.351 50 0 DCAARN O=C(CN1CCCCCC1=O)NC[C@@H](O)c1cccc(O)c1 ZINC000299784236 416067453 /nfs/dbraw/zinc/06/74/53/416067453.db2.gz LNBYPIQMECXKTE-CQSZACIVSA-N 0 0 306.362 0.944 50 0 DCAARN Cn1nc2c(c1C(=O)N1CCc3nc[nH]c(=O)c3C1)CCCC2 ZINC000299777246 416067525 /nfs/dbraw/zinc/06/75/25/416067525.db2.gz OCRBBBPCDBDSKI-UHFFFAOYSA-N 0 0 313.361 0.993 50 0 DCAARN CNC(=O)[C@H]1CC[C@@](C)(C(=O)NCCn2cncn2)C1(C)C ZINC000299775579 416068104 /nfs/dbraw/zinc/06/81/04/416068104.db2.gz DYXYHWOSUFEILK-ABAIWWIYSA-N 0 0 307.398 0.583 50 0 DCAARN O=C([C@@H]1COCCO1)N1CCCN(Cc2ccncc2)CC1 ZINC000299779167 416068301 /nfs/dbraw/zinc/06/83/01/416068301.db2.gz DHEJGNLGMCPAJN-HNNXBMFYSA-N 0 0 305.378 0.531 50 0 DCAARN COc1cc2c(cc1CNC(=O)c1[nH]nnc1C)OCCO2 ZINC000299787210 416069220 /nfs/dbraw/zinc/06/92/20/416069220.db2.gz PGSCEQSKUJYJCZ-UHFFFAOYSA-N 0 0 304.306 0.823 50 0 DCAARN Cc1nc(SCCNC(=O)CN2C[C@@H](C)O[C@@H](C)C2)n[nH]1 ZINC000299793133 416070030 /nfs/dbraw/zinc/07/00/30/416070030.db2.gz KKOUZCKGQMRRIE-AOOOYVTPSA-N 0 0 313.427 0.431 50 0 DCAARN COc1cc(CCNC(=O)CCn2nnnc2C)cc(OC)c1 ZINC000299792615 416070219 /nfs/dbraw/zinc/07/02/19/416070219.db2.gz HFJLNOLQHBEKBA-UHFFFAOYSA-N 0 0 319.365 0.748 50 0 DCAARN Cc1cc(CC(=O)NC2CCN(CC(=O)NC3CC3)CC2)on1 ZINC000299800313 416070614 /nfs/dbraw/zinc/07/06/14/416070614.db2.gz VLJOQTGUNMVQIB-UHFFFAOYSA-N 0 0 320.393 0.385 50 0 DCAARN CC(=O)Nc1cc(S(=O)(=O)N[C@@H]2CCOC2)ccc1F ZINC000178821450 416173812 /nfs/dbraw/zinc/17/38/12/416173812.db2.gz IPHRDQMKOYPDNB-SECBINFHSA-N 0 0 302.327 0.851 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)[C@@](C)(O)[C@@H](C)c2ccccc2)CCO1 ZINC000183986350 416249990 /nfs/dbraw/zinc/24/99/90/416249990.db2.gz ZIDNRAFQZWYCBC-JDFRZJQESA-N 0 0 320.389 0.515 50 0 DCAARN CCOCCN1CCN(CC(=O)NCc2ccco2)C[C@H]1C ZINC000247061872 416332606 /nfs/dbraw/zinc/33/26/06/416332606.db2.gz FYWDXHCWSVQGCG-CQSZACIVSA-N 0 0 309.410 0.938 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCN([C@H]2CCc3ccccc3NC2=O)C1 ZINC000248905800 416333860 /nfs/dbraw/zinc/33/38/60/416333860.db2.gz WNACEIQICXNXKR-OCCSQVGLSA-N 0 0 323.418 0.563 50 0 DCAARN O[C@@H]1CO[C@H](Oc2ccc(Br)cc2)[C@H](O)[C@H]1O ZINC000252427601 416334652 /nfs/dbraw/zinc/33/46/52/416334652.db2.gz RYMCGIWYPIFYRA-LMLFDSFASA-N 0 0 305.124 0.267 50 0 DCAARN Cc1nc(SCCNC(=O)c2c[nH]c(=O)c(Cl)c2)n[nH]1 ZINC000215166111 416327140 /nfs/dbraw/zinc/32/71/40/416327140.db2.gz MJKXTINQNHXNGL-UHFFFAOYSA-N 0 0 313.770 0.977 50 0 DCAARN Nc1cccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)n1 ZINC000215663074 416327270 /nfs/dbraw/zinc/32/72/70/416327270.db2.gz PUUJXOXGNIVLCN-UHFFFAOYSA-N 0 0 318.377 0.375 50 0 DCAARN C[C@@H](C(=O)N(CCCO)Cc1ccncc1)N1CCCC1=O ZINC000215659401 416327280 /nfs/dbraw/zinc/32/72/80/416327280.db2.gz BPWRSYCUAKPTLD-ZDUSSCGKSA-N 0 0 305.378 0.804 50 0 DCAARN O=C(N[C@@H]1CCc2n[nH]c(=O)cc2C1)c1ccc2[nH]cnc2c1 ZINC000225786916 416327740 /nfs/dbraw/zinc/32/77/40/416327740.db2.gz OEMATMONVGIGOK-LLVKDONJSA-N 0 0 309.329 0.934 50 0 DCAARN Cn1c(CO)nnc1[C@H]1C[C@H](Nc2ccc(C(N)=O)cn2)C1 ZINC000244734572 416330710 /nfs/dbraw/zinc/33/07/10/416330710.db2.gz NIBZOKGXALSDTN-MGCOHNPYSA-N 0 0 302.338 0.159 50 0 DCAARN O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ccn2nnnc2c1 ZINC000244718797 416330747 /nfs/dbraw/zinc/33/07/47/416330747.db2.gz LQYREXAYOFGQFR-ZOWXZIJZSA-N 0 0 324.344 0.761 50 0 DCAARN COCC(=O)N1CCCN(CCn2cc(Cl)cn2)CC1 ZINC000244646920 416330751 /nfs/dbraw/zinc/33/07/51/416330751.db2.gz GRRPERPGJCCLEO-UHFFFAOYSA-N 0 0 300.790 0.717 50 0 DCAARN CCc1cc(N2CCN(CCn3cc[nH]c3=O)CC2)ncn1 ZINC000244652084 416330813 /nfs/dbraw/zinc/33/08/13/416330813.db2.gz GZPFTMGGVVJCOP-UHFFFAOYSA-N 0 0 302.382 0.351 50 0 DCAARN Cc1c[nH]c(C(=O)N[C@@H]2CCN(Cc3cccnc3)C[C@H]2O)n1 ZINC000244678452 416330985 /nfs/dbraw/zinc/33/09/85/416330985.db2.gz IDFZEPHUVZMYOJ-ZIAGYGMSSA-N 0 0 315.377 0.478 50 0 DCAARN Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](c3nnc(CN(C)C)n3C)C2)n1 ZINC000244774107 416331118 /nfs/dbraw/zinc/33/11/18/416331118.db2.gz PODGLSDOYHGPRO-PHIMTYICSA-N 0 0 317.397 0.584 50 0 DCAARN CN(C)c1nc(NCCc2nc(N)n[nH]2)cc(C(F)(F)F)n1 ZINC000584901635 416516990 /nfs/dbraw/zinc/51/69/90/416516990.db2.gz MHBVLFVRLCBXET-UHFFFAOYSA-N 0 0 316.291 0.338 50 0 DCAARN CC(C)(C)OC(=O)[C@@]1(C)CCCN1CCN1C(=O)CNC1=O ZINC000585123439 416517226 /nfs/dbraw/zinc/51/72/26/416517226.db2.gz HOGJZKIMCQNMSW-OAHLLOKOSA-N 0 0 311.382 0.734 50 0 DCAARN O=C(Cc1ccc(F)c(F)c1)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000585124354 416517326 /nfs/dbraw/zinc/51/73/26/416517326.db2.gz JVRIGCGXWGZDHW-CHWSQXEVSA-N 0 0 308.288 0.543 50 0 DCAARN CCCNS(=O)(=O)N1CCC(n2cc(N(C)C)cn2)CC1 ZINC000585114869 416518776 /nfs/dbraw/zinc/51/87/76/416518776.db2.gz CYGLQLJWIYNEGX-UHFFFAOYSA-N 0 0 315.443 0.830 50 0 DCAARN CC[C@H]1C(=O)NCCN1c1ncc(F)c(NCC(F)F)n1 ZINC000585139197 416519464 /nfs/dbraw/zinc/51/94/64/416519464.db2.gz PTEYEYJDGCBPRL-QMMMGPOBSA-N 0 0 303.288 1.008 50 0 DCAARN CCC(CC)CN(CC)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC000585135598 416519942 /nfs/dbraw/zinc/51/99/42/416519942.db2.gz SAEIKABHCPJHAH-UHFFFAOYSA-N 0 0 302.400 0.955 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2conc2C)C1 ZINC000585129954 416520173 /nfs/dbraw/zinc/52/01/73/416520173.db2.gz CTAVWOQPOFZDQV-SNVBAGLBSA-N 0 0 301.368 0.983 50 0 DCAARN COCc1nc(NCc2nccn2C)cc([C@H]2CCOC2)n1 ZINC000426387339 416763767 /nfs/dbraw/zinc/76/37/67/416763767.db2.gz VSZXOGLCHJVVJL-NSHDSACASA-N 0 0 303.366 1.473 50 0 DCAARN CN1CCC[C@@H](NC(=O)NCc2nnc(C3CC3)s2)C1=O ZINC000528020532 417293192 /nfs/dbraw/zinc/29/31/92/417293192.db2.gz WPKLFDISQBZAJE-SECBINFHSA-N 0 0 309.395 0.836 50 0 DCAARN Cc1csc(S(=O)(=O)NC[C@H]2CN(C)CCN2C)c1 ZINC000451184572 417314618 /nfs/dbraw/zinc/31/46/18/417314618.db2.gz AFHYEVOVANRKRI-NSHDSACASA-N 0 0 303.453 0.581 50 0 DCAARN Cc1cc(C)nc(O[C@H]2CCN(C(=O)N3CCNC3=O)C2)n1 ZINC000575413850 417534875 /nfs/dbraw/zinc/53/48/75/417534875.db2.gz DVTWSAAHZSNEQC-NSHDSACASA-N 0 0 305.338 0.692 50 0 DCAARN Cn1nc(C(=O)N2CCC[C@@H](Oc3ccncc3)C2)ccc1=O ZINC000575606291 417540420 /nfs/dbraw/zinc/54/04/20/417540420.db2.gz NSFBQFRWZXPKID-CYBMUJFWSA-N 0 0 314.345 0.859 50 0 DCAARN O=C(NCCn1nc2c(cc1=O)CCCC2)c1ccc(=O)[nH]n1 ZINC000575608526 417541095 /nfs/dbraw/zinc/54/10/95/417541095.db2.gz NZACDSJGWYPWIY-UHFFFAOYSA-N 0 0 315.333 0.048 50 0 DCAARN O=C(CN1C(=O)CCC1=O)NCCn1cc(-c2ccco2)cn1 ZINC000575615242 417541393 /nfs/dbraw/zinc/54/13/93/417541393.db2.gz NDNOWJZCROIZKK-UHFFFAOYSA-N 0 0 316.317 0.408 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)Cn2nc(C)c(Cl)c2C)cn1 ZINC000194359433 261146102 /nfs/dbraw/zinc/14/61/02/261146102.db2.gz CDCBZHZHCXFCCZ-UHFFFAOYSA-N 0 0 324.772 0.735 50 0 DCAARN CCNC(=O)NC(=O)CSc1nc2nc(C)cc(C)n2n1 ZINC000003393088 262510598 /nfs/dbraw/zinc/51/05/98/262510598.db2.gz JRRWUACNWRASSQ-UHFFFAOYSA-N 0 0 308.367 0.679 50 0 DCAARN CCOC(=O)c1nn(C)c2c1CN(C(=O)c1cnsn1)CC2 ZINC000014531405 276447292 /nfs/dbraw/zinc/44/72/92/276447292.db2.gz GSLUPAOAVXNUSX-UHFFFAOYSA-N 0 0 321.362 0.647 50 0 DCAARN CC(=O)Nc1nc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cs1 ZINC000030719619 277090817 /nfs/dbraw/zinc/09/08/17/277090817.db2.gz DYTJGIDORPEGET-NSHDSACASA-N 0 0 317.392 0.409 50 0 DCAARN CO[C@@H]1C[C@H]2C(=O)N([C@@H]3CC(=O)N(C(C)(C)C)C3)C(=O)N2C1 ZINC000253432521 277313070 /nfs/dbraw/zinc/31/30/70/277313070.db2.gz KWADENYROKUUKK-MXWKQRLJSA-N 0 0 309.366 0.437 50 0 DCAARN CO[C@H]1CCCCC[C@H]1Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000097011959 277335046 /nfs/dbraw/zinc/33/50/46/277335046.db2.gz GZCSBRRWFCTSEC-ZJUUUORDSA-N 0 0 321.381 0.720 50 0 DCAARN CS(=O)(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1Nc1ncnc2[nH]ccc21 ZINC000220406779 278114901 /nfs/dbraw/zinc/11/49/01/278114901.db2.gz JOHWNXFIOWSFAS-APHKKCJPSA-N 0 0 323.378 0.075 50 0 DCAARN CC(=O)Nc1nc(C(=O)N(CC(N)=O)C2CCCC2)cs1 ZINC000095954267 278213049 /nfs/dbraw/zinc/21/30/49/278213049.db2.gz JEERSXUOBHUQCP-UHFFFAOYSA-N 0 0 310.379 0.972 50 0 DCAARN CC(=O)OC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 ZINC000101847579 278219182 /nfs/dbraw/zinc/21/91/82/278219182.db2.gz PHWOTSJWWWEKMS-RNWYCLNJSA-N 0 0 302.323 0.946 50 0 biogenic DCAARN O=C(CN1C(=O)CNC1=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000071837471 279762843 /nfs/dbraw/zinc/76/28/43/279762843.db2.gz VFUSBMNCRQPWIR-GFCCVEGCSA-N 0 0 321.308 0.277 50 0 DCAARN O=C([C@@H]1COCCO1)N1CCN(c2ncccc2Cl)CC1 ZINC000054100267 280104889 /nfs/dbraw/zinc/10/48/89/280104889.db2.gz JIXSTXFPJDNMIJ-LBPRGKRZSA-N 0 0 311.769 0.799 50 0 DCAARN CC(C)[C@H](NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(N)=O ZINC000069844419 280293348 /nfs/dbraw/zinc/29/33/48/280293348.db2.gz PUMQJBXNRUZVRU-LOWVWBTDSA-N 0 0 323.393 0.178 50 0 DCAARN O=C1CC[C@@H](NS(=O)(=O)c2cnc3n2CCC3)[C@H](C2CC2)N1 ZINC000551575812 288230235 /nfs/dbraw/zinc/23/02/35/288230235.db2.gz NYARVWYIFJFIDC-YGRLFVJLSA-N 0 0 324.406 0.165 50 0 DCAARN Cc1ccc(-n2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)nn2)cc1 ZINC000032149318 280743125 /nfs/dbraw/zinc/74/31/25/280743125.db2.gz UBVMQKCPPUUXIO-NSHDSACASA-N 0 0 320.374 0.493 50 0 DCAARN C[C@@H]1COCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000040511362 288348625 /nfs/dbraw/zinc/34/86/25/288348625.db2.gz AVIQUUNHXLQBJQ-SNVBAGLBSA-N 0 0 310.375 0.981 50 0 DCAARN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000095409802 289081869 /nfs/dbraw/zinc/08/18/69/289081869.db2.gz WYHIIXVIQALZBS-CDMKHQONSA-N 0 0 315.329 0.314 50 0 DCAARN Cc1nc2c(c(=O)n1C)CN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000216529090 293400860 /nfs/dbraw/zinc/40/08/60/293400860.db2.gz CUPUIRDJHDPQJM-UHFFFAOYSA-N 0 0 313.313 0.973 50 0 DCAARN NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccon1 ZINC000071793317 295133170 /nfs/dbraw/zinc/13/31/70/295133170.db2.gz XGHKIEFYTCYAIH-LBPRGKRZSA-N 0 0 300.318 0.525 50 0 DCAARN COc1ccc(NC(=O)[C@@H](CC(C)C)NS(C)(=O)=O)cn1 ZINC000055544675 295160524 /nfs/dbraw/zinc/16/05/24/295160524.db2.gz SSBMZHOHHRCLDI-LLVKDONJSA-N 0 0 315.395 0.993 50 0 DCAARN C[C@H](NC(=O)COCc1ccccc1)C(=O)N1CCOCC1 ZINC000058214137 299061639 /nfs/dbraw/zinc/06/16/39/299061639.db2.gz NIBGHLZVUKQZPX-ZDUSSCGKSA-N 0 0 306.362 0.567 50 0 DCAARN C[C@H]1CN(C(=O)C2(NS(C)(=O)=O)CCCCC2)CCO1 ZINC000057255430 300111948 /nfs/dbraw/zinc/11/19/48/300111948.db2.gz PARYQKPKTDMSKX-NSHDSACASA-N 0 0 304.412 0.486 50 0 DCAARN O=S(=O)(C[C@@H]1CCCO1)N[C@H]1CCCCC12OCCO2 ZINC000095443794 304747613 /nfs/dbraw/zinc/74/76/13/304747613.db2.gz QYPYZQBWOVVSMV-RYUDHWBXSA-N 0 0 305.396 0.771 50 0 DCAARN Cc1ccc(S(=O)(=O)NN2CC[S@@](=O)[C@@H](C)C2)cc1 ZINC000008575928 301689850 /nfs/dbraw/zinc/68/98/50/301689850.db2.gz HYEVSGUCCBFFMK-VOJFVSQTSA-N 0 0 302.421 0.641 50 0 DCAARN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000040527819 302871680 /nfs/dbraw/zinc/87/16/80/302871680.db2.gz IFEDXTDXMFFEKD-OCAPTIKFSA-N 0 0 316.379 0.793 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)CCO1 ZINC000095404178 303305397 /nfs/dbraw/zinc/30/53/97/303305397.db2.gz JKZUILKYAJJVTR-GRDNDAEWSA-N 0 0 300.358 0.603 50 0 DCAARN CCCNC(=O)COC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000003320141 331479483 /nfs/dbraw/zinc/47/94/83/331479483.db2.gz WFGOMJKQHPGIFP-UHFFFAOYSA-N 0 0 314.363 0.278 50 0 DCAARN COC(=O)c1ccc(NC(=O)CC[C@H]2NC(=O)NC2=O)cc1 ZINC000012728726 331534434 /nfs/dbraw/zinc/53/44/34/331534434.db2.gz AKFATPOJDQRWON-SNVBAGLBSA-N 0 0 305.290 0.400 50 0 DCAARN CCCc1nc(CNS(=O)(=O)N2CCOCC2)cs1 ZINC000534576184 334287808 /nfs/dbraw/zinc/28/78/08/334287808.db2.gz LGZLKPNSOOSEMF-UHFFFAOYSA-N 0 0 305.425 0.762 50 0 DCAARN CC[C@H](C(=O)NCc1[nH]cc(C)c(=O)c1C)N1CCOCC1 ZINC000534584091 334288153 /nfs/dbraw/zinc/28/81/53/334288153.db2.gz CXNYWXQCOMOQLG-CQSZACIVSA-N 0 0 307.394 0.719 50 0 DCAARN CC(=O)c1c(C)nn(CCC(=O)NCCn2ccnn2)c1C ZINC000534586699 334292214 /nfs/dbraw/zinc/29/22/14/334292214.db2.gz YFBFAAANUBKPEL-UHFFFAOYSA-N 0 0 304.354 0.501 50 0 DCAARN Cn1cccc1CCC(=O)N[C@H]1COC[C@@H]1N1CCN(C)CC1 ZINC000534641461 334311292 /nfs/dbraw/zinc/31/12/92/334311292.db2.gz LXGZZELSVWBEFJ-HOTGVXAUSA-N 0 0 320.437 0.089 50 0 DCAARN COc1ccccc1OCCCN(C)C(=O)N[C@H]1CCNC1=O ZINC000534653741 334312783 /nfs/dbraw/zinc/31/27/83/334312783.db2.gz HPCIRXZTIJTZFD-LBPRGKRZSA-N 0 0 321.377 0.994 50 0 DCAARN Cc1cccc2oc(CNS(=O)(=O)N3CCOCC3)nc21 ZINC000534673820 334321550 /nfs/dbraw/zinc/32/15/50/334321550.db2.gz CUEPMAVDMOQWTP-UHFFFAOYSA-N 0 0 311.363 0.803 50 0 DCAARN Cc1ccn(CC(=O)NC[C@@H](O)C(=O)OCc2ccccc2)n1 ZINC000408519576 534332761 /nfs/dbraw/zinc/33/27/61/534332761.db2.gz YDHXIVSAVSHOBC-CQSZACIVSA-N 0 0 317.345 0.412 50 0 DCAARN O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N1CCc2n[nH]cc2C1 ZINC000299333851 534577408 /nfs/dbraw/zinc/57/74/08/534577408.db2.gz ZOHIUZMJURDCSK-LLVKDONJSA-N 0 0 314.345 0.936 50 0 DCAARN Cc1cccc(S(=O)(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)c1 ZINC000176732502 524801494 /nfs/dbraw/zinc/80/14/94/524801494.db2.gz DRFLGMKGGKTJDW-GFCCVEGCSA-N 0 0 310.375 0.809 50 0 DCAARN CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCCCc1cc(=O)[nH][nH]1 ZINC000408523061 526417548 /nfs/dbraw/zinc/41/75/48/526417548.db2.gz ONKMOKDINVCXNT-LLVKDONJSA-N 0 0 324.381 0.768 50 0 DCAARN O=C(c1ccc(-n2ccnn2)cc1)N1CCOC[C@]12CCOC2 ZINC000194407596 526656997 /nfs/dbraw/zinc/65/69/97/526656997.db2.gz YPKVSUTUDMBRBM-MRXNPFEDSA-N 0 0 314.345 0.899 50 0 DCAARN CNC(=O)CCNC(=O)CCN1c2ccccc2O[C@H](C)C1=O ZINC000058407013 536490448 /nfs/dbraw/zinc/49/04/48/536490448.db2.gz MRPKFASOQXLOKS-LLVKDONJSA-N 0 0 319.361 0.443 50 0 DCAARN CC(C)c1cc(CN(C)C(=O)[C@@H]2CCC(=O)NC(=O)N2)on1 ZINC000299788964 528042405 /nfs/dbraw/zinc/04/24/05/528042405.db2.gz VRFLRUHAEMVQLB-JTQLQIEISA-N 0 0 308.338 0.745 50 0 DCAARN CC(C)N1C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)CC1=O ZINC000028432255 535253863 /nfs/dbraw/zinc/25/38/63/535253863.db2.gz XLFPCDZLFWOYSV-ZDUSSCGKSA-N 0 0 317.393 0.382 50 0 DCAARN COC(=O)[C@@H](C)OC(=O)CN1c2ccccc2OCCC1=O ZINC000084098780 545698287 /nfs/dbraw/zinc/69/82/87/545698287.db2.gz PBZRIJNOLSQVIS-SNVBAGLBSA-N 0 0 307.302 0.907 50 0 DCAARN CC(=O)N1CCN([C@@H]2CN([C@@H]3C[C@@H](C)OC3=O)C[C@@H]2C)CC1 ZINC000084685868 545703149 /nfs/dbraw/zinc/70/31/49/545703149.db2.gz 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/nfs/dbraw/zinc/09/76/77/547097677.db2.gz BVDSZEMCQJTCTG-UHFFFAOYSA-N 0 0 314.349 0.758 50 0 DCAARN C[C@H](CNS(=O)(=O)C1CC1)[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000670465869 547098629 /nfs/dbraw/zinc/09/86/29/547098629.db2.gz OLZKAHZZRNRZTK-SECBINFHSA-N 0 0 324.406 0.828 50 0 DCAARN CN(C)C(=O)c1cncc(N2CCC[C@H](c3nnc[nH]3)C2)n1 ZINC000670467075 547100145 /nfs/dbraw/zinc/10/01/45/547100145.db2.gz FNDLXZXCRBOZKC-JTQLQIEISA-N 0 0 301.354 0.681 50 0 DCAARN Cc1nc(CC(=O)N2CCC3(CC2)CN(C)C(=O)CO3)cs1 ZINC000670467176 547100588 /nfs/dbraw/zinc/10/05/88/547100588.db2.gz GPOYOUBZBYMIOQ-UHFFFAOYSA-N 0 0 323.418 0.844 50 0 DCAARN Cn1cc([C@H]2CN(c3ncc(Cl)cn3)C[C@@H]2C(N)=O)cn1 ZINC000671474187 547221084 /nfs/dbraw/zinc/22/10/84/547221084.db2.gz ASNXFIKTIWWTRH-MNOVXSKESA-N 0 0 306.757 0.569 50 0 DCAARN CN(C)c1ccc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)cn1 ZINC000685941705 548746496 /nfs/dbraw/zinc/74/64/96/548746496.db2.gz GTNYOMRUWLDGQN-QWHCGFSZSA-N 0 0 317.349 0.447 50 0 DCAARN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)C=C3CCCC3)C2)C1 ZINC000685942260 548747845 /nfs/dbraw/zinc/74/78/45/548747845.db2.gz MQJOQYQBAVFHKY-GFCCVEGCSA-N 0 0 305.378 0.292 50 0 DCAARN Cn1cnc(S(=O)(=O)NCCNC(=O)c2cccs2)c1 ZINC000206633506 563623522 /nfs/dbraw/zinc/62/35/22/563623522.db2.gz QQTPOSMIMZKEQY-UHFFFAOYSA-N 0 0 314.392 0.190 50 0 DCAARN O=S(=O)(Cc1ccco1)[C@@H]1CCN(S(=O)(=O)C2CC2)C1 ZINC000206694242 563634913 /nfs/dbraw/zinc/63/49/13/563634913.db2.gz XOCVYNITDAHUCZ-GFCCVEGCSA-N 0 0 319.404 0.761 50 0 DCAARN COc1ccccc1C1=NO[C@](C)(C(=O)NCC(=O)N(C)C)C1 ZINC000222283547 563781306 /nfs/dbraw/zinc/78/13/06/563781306.db2.gz FIOPETJKEWLIAE-INIZCTEOSA-N 0 0 319.361 0.783 50 0 DCAARN CN(CC(=O)Nc1cc(C(F)(F)F)no1)S(C)(=O)=O ZINC000081741978 661313624 /nfs/dbraw/zinc/31/36/24/661313624.db2.gz ZQWACPSSVBLZEH-UHFFFAOYSA-N 0 0 301.246 0.523 50 0 DCAARN Cn1ccnc1SCCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000426380708 661561031 /nfs/dbraw/zinc/56/10/31/661561031.db2.gz SUQHPJVUWXINNZ-VIFPVBQESA-N 0 0 303.409 0.063 50 0 DCAARN COCc1cc(CNC(=O)N2CCC3(CNC(=O)O3)CC2)[nH]n1 ZINC000426473602 661603261 /nfs/dbraw/zinc/60/32/61/661603261.db2.gz MTURZWDMNRAQMZ-UHFFFAOYSA-N 0 0 323.353 0.340 50 0 DCAARN CC1(C)COCCN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000067684809 662839843 /nfs/dbraw/zinc/83/98/43/662839843.db2.gz SCJRIXANBPBSQU-UHFFFAOYSA-N 0 0 301.350 0.978 50 0 DCAARN CC(C)CN1C(=O)c2cccn2C[C@@H]1C(=O)N1CCOCC1 ZINC000169749296 664558882 /nfs/dbraw/zinc/55/88/82/664558882.db2.gz VBSQBWQAUJVFTF-CQSZACIVSA-N 0 0 305.378 0.827 50 0 DCAARN O=C(NCCN1CCCS1(=O)=O)c1cc2ccccn2c1 ZINC000172722514 664624508 /nfs/dbraw/zinc/62/45/08/664624508.db2.gz NKRZSLPXLMFFJF-UHFFFAOYSA-N 0 0 307.375 0.705 50 0 DCAARN Cn1c(-c2ccc3c(c2)OCO3)nc2c1c(=O)[nH]c(=O)n2C ZINC000032565339 664684577 /nfs/dbraw/zinc/68/45/77/664684577.db2.gz ABABIYKVXRUVGR-UHFFFAOYSA-N 0 0 300.274 0.356 50 0 DCAARN O=C([C@@H]1CCN(c2ccccc2)C1=O)N1CCS(=O)(=O)CC1 ZINC000011818825 666332565 /nfs/dbraw/zinc/33/25/65/666332565.db2.gz NSDCZXFALJQYEH-ZDUSSCGKSA-N 0 0 322.386 0.297 50 0 DCAARN CCn1cnnc1CCNC(=O)c1cnc2ccccn2c1=O ZINC000952979538 685600844 /nfs/dbraw/zinc/60/08/44/685600844.db2.gz OFYUTNNZCTZTPW-UHFFFAOYSA-N 0 0 312.333 0.278 50 0 DCAARN CCOc1ncccc1NC(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC000952994368 685603780 /nfs/dbraw/zinc/60/37/80/685603780.db2.gz RRYXPSDFTQZYJB-UHFFFAOYSA-N 0 0 319.321 0.601 50 0 DCAARN Cc1ccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](C)C(=O)N3C2)cc1F ZINC000014536616 685048018 /nfs/dbraw/zinc/04/80/18/685048018.db2.gz GKSFVSINBWWDMF-GAFUQQFSSA-N 0 0 319.336 0.352 50 0 DCAARN CCCCS(=O)(=O)N1CCC[C@@H](Cn2cc(CO)nn2)C1 ZINC000023380477 685053104 /nfs/dbraw/zinc/05/31/04/685053104.db2.gz XTNCKSBTPUJTFI-LBPRGKRZSA-N 0 0 316.427 0.612 50 0 DCAARN O[C@H]1CCN(c2ccnc(N3CCCn4cncc4C3)n2)C1 ZINC000072148122 685073592 /nfs/dbraw/zinc/07/35/92/685073592.db2.gz JTNJZTWGNWUBFN-ZDUSSCGKSA-N 0 0 300.366 0.654 50 0 DCAARN Cn1c(=O)cc(C(=O)N2CCC[C@@H]2c2ccccn2)n(C)c1=O ZINC000095512799 685111098 /nfs/dbraw/zinc/11/10/98/685111098.db2.gz OMWZYNZGLAOHOB-GFCCVEGCSA-N 0 0 314.345 0.456 50 0 DCAARN Cc1nn2ncccc2c1C(=O)N1CCC([C@@H](O)CO)CC1 ZINC001772708205 1157844698 /nfs/dbraw/zinc/84/46/98/1157844698.db2.gz FOBINSOAPIENFB-ZDUSSCGKSA-N 0 0 304.350 0.243 50 0 DCAARN Cc1nn2ncccc2c1C(=O)N1C[C@H]2CCCN2C(=O)[C@@H]1C ZINC001772709577 1157847644 /nfs/dbraw/zinc/84/76/44/1157847644.db2.gz OKTIIVFZNDOBMM-NWDGAFQWSA-N 0 0 313.361 0.873 50 0 DCAARN O=C1N[C@@H]2COC[C@H]1CN(Cc1nc3c(s1)CCCC3)C2 ZINC001704311367 1179968755 /nfs/dbraw/zinc/96/87/55/1179968755.db2.gz GRDYGXIMJYOPJE-MNOVXSKESA-N 0 0 307.419 0.969 50 0 DCAARN CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1OCCO3)C2 ZINC001704311442 1179970128 /nfs/dbraw/zinc/97/01/28/1179970128.db2.gz JXPIWFMDZNOHBV-OLZOCXBDSA-N 0 0 318.373 0.860 50 0 DCAARN O=C([O-])C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)Cc1ccccc1)C2 ZINC001704315828 1179970890 /nfs/dbraw/zinc/97/08/90/1179970890.db2.gz OVIRTTLKJCEQII-GJZGRUSLSA-N 0 0 318.373 0.473 50 0 DCAARN CNC(=O)c1cccc(CNC(=O)[C@@H]2CC[C@H](O)[C@H](OC)C2)c1 ZINC001704327182 1179973821 /nfs/dbraw/zinc/97/38/21/1179973821.db2.gz AMUFQTZHZYAWRE-QLFBSQMISA-N 0 0 320.389 0.838 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3ccc[nH]c3=O)C[C@@H]2O)on1 ZINC001704337511 1179977601 /nfs/dbraw/zinc/97/76/01/1179977601.db2.gz UWBRQIAEOMKIQB-MFKMUULPSA-N 0 0 303.318 0.759 50 0 DCAARN CC(C)n1cnnc1CN1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704337849 1179977847 /nfs/dbraw/zinc/97/78/47/1179977847.db2.gz FRHXDUUYVYZRNW-TZMCWYRMSA-N 0 0 302.382 0.684 50 0 DCAARN CO[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1Cc1cc(C)no1 ZINC001704338639 1179978005 /nfs/dbraw/zinc/97/80/05/1179978005.db2.gz WHJXPTNZEVLELR-MFKMUULPSA-N 0 0 318.333 0.396 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)C[C@@H]2O)on1 ZINC001704337573 1179978202 /nfs/dbraw/zinc/97/82/02/1179978202.db2.gz AKQXQIIHCDJNPP-DOMZBBRYSA-N 0 0 318.377 0.927 50 0 DCAARN COCCN1C[C@H](CNC(=O)c2ccc(OC)nc2)CC1=O ZINC001704348357 1179981385 /nfs/dbraw/zinc/98/13/85/1179981385.db2.gz SPTFWVHBIAEWCQ-NSHDSACASA-N 0 0 307.350 0.315 50 0 DCAARN Nc1n[nH]c(CCNc2ncccc2C(=O)N2CCCC2)n1 ZINC001704347172 1179982053 /nfs/dbraw/zinc/98/20/53/1179982053.db2.gz ILFUQHATQZQQGF-UHFFFAOYSA-N 0 0 301.354 0.673 50 0 DCAARN O=C(NCCC1CCCC1)c1cc2n(n1)C[C@@H](O)CNC2=O ZINC001704352462 1179983593 /nfs/dbraw/zinc/98/35/93/1179983593.db2.gz ZFGFUMQICJKQHI-NSHDSACASA-N 0 0 306.366 0.298 50 0 DCAARN O=C(c1ccc(N2CCOCC2)cc1)N1CC(n2nccn2)C1 ZINC000888107070 747313640 /nfs/dbraw/zinc/31/36/40/747313640.db2.gz WSYYJTGGVWZQNR-UHFFFAOYSA-N 0 0 313.361 0.812 50 0 DCAARN CCCCNC(=O)CN1CCN(C(=O)c2ccn(C)n2)CC1 ZINC000584906662 747668218 /nfs/dbraw/zinc/66/82/18/747668218.db2.gz JHWXVSXXRMWOAZ-UHFFFAOYSA-N 0 0 307.398 0.094 50 0 DCAARN CN(C)S(=O)(=O)N1CCCC[C@H]1c1[nH]nc2c1COCC2 ZINC000675010713 748025612 /nfs/dbraw/zinc/02/56/12/748025612.db2.gz IWFDZGPQMQVQCQ-LBPRGKRZSA-N 0 0 314.411 0.816 50 0 DCAARN COCCn1nnnc1[C@]1(N(C)C)CCN(C(=O)C2(C)CC2)C1 ZINC000675025703 748029119 /nfs/dbraw/zinc/02/91/19/748029119.db2.gz DPGCDGZVCWSAJY-HNNXBMFYSA-N 0 0 322.413 0.109 50 0 DCAARN Cc1nc(CC[C@H]2CCN(C(=O)CN3CCOCC3)C2)no1 ZINC000675023464 754366159 /nfs/dbraw/zinc/36/61/59/754366159.db2.gz FYKKIWUUDUXRFV-ZDUSSCGKSA-N 0 0 308.382 0.491 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](CNC(=O)c2ccon2)C1 ZINC000823413098 758246462 /nfs/dbraw/zinc/24/64/62/758246462.db2.gz ZVSHCQPZVFPLAI-JTQLQIEISA-N 0 0 301.368 0.466 50 0 DCAARN CC(=O)NCCC(=O)Nc1cc(NC(=O)CN(C)C)ccc1C ZINC000823676241 758260633 /nfs/dbraw/zinc/26/06/33/758260633.db2.gz ZZWXHNZVIXTAFF-UHFFFAOYSA-N 0 0 320.393 0.960 50 0 DCAARN COc1ccccc1OCC(=O)N1CC(Cn2cncn2)C1 ZINC000824828070 758787950 /nfs/dbraw/zinc/78/79/50/758787950.db2.gz NWHFNUBSYFQEHF-UHFFFAOYSA-N 0 0 302.334 0.824 50 0 DCAARN Cn1nnc(-c2ccc(C(=O)NCc3csc(N)n3)cc2)n1 ZINC000825667797 758815346 /nfs/dbraw/zinc/81/53/46/758815346.db2.gz UZCFUGOMPCXPGT-UHFFFAOYSA-N 0 0 315.362 0.846 50 0 DCAARN CN1C(=O)N=NC1CCNS(=O)(=O)c1ccccc1F ZINC000826626566 758835034 /nfs/dbraw/zinc/83/50/34/758835034.db2.gz PPVKWDGWVMHGFF-UHFFFAOYSA-N 0 0 300.315 0.181 50 0 DCAARN Cc1cccc(-n2nc(CC(N)=O)nc2C[C@H]2CCCOC2)n1 ZINC000826841972 758845915 /nfs/dbraw/zinc/84/59/15/758845915.db2.gz FSGIIMUWIVVTJL-GFCCVEGCSA-N 0 0 315.377 0.968 50 0 DCAARN CN1CCN(S(=O)(=O)N2CCCCCC2)C[C@H]1CCO ZINC000828747363 759088844 /nfs/dbraw/zinc/08/88/44/759088844.db2.gz WTOIENSZBVORTL-CYBMUJFWSA-N 0 0 305.444 0.106 50 0 DCAARN CCS(=O)(=O)N1CCC(N(C(C)=O)C2CCOCC2)CC1 ZINC000581782733 760250018 /nfs/dbraw/zinc/25/00/18/760250018.db2.gz WGVSUMNRQJNCNY-UHFFFAOYSA-N 0 0 318.439 0.828 50 0 DCAARN CCOCC(=O)N1CCC2(C[C@H]3C(=O)N(CC)C(=O)N3C2)CC1 ZINC000581803043 760250957 /nfs/dbraw/zinc/25/09/57/760250957.db2.gz FGEFCRYSSGYSEJ-LBPRGKRZSA-N 0 0 323.393 0.688 50 0 DCAARN CN(C[C@H](O)C(F)(F)F)C1CN(c2ccc3nncn3n2)C1 ZINC000585592835 768081859 /nfs/dbraw/zinc/08/18/59/768081859.db2.gz UPODKCIHFANZEV-VIFPVBQESA-N 0 0 316.287 0.168 50 0 DCAARN CO[C@H]1COCC[C@@H]1N1CCN(C(=O)c2c[nH]cc2C)CC1 ZINC000585087951 766275596 /nfs/dbraw/zinc/27/55/96/766275596.db2.gz DCKZIBIBEKKBGO-GJZGRUSLSA-N 0 0 307.394 0.885 50 0 DCAARN Cc1noc(C)c1C[C@H](C)NS(=O)(=O)[C@@H]1CC(=O)N(C)C1 ZINC000585115124 766284189 /nfs/dbraw/zinc/28/41/89/766284189.db2.gz NKDJIGPENXMQPI-GZMMTYOYSA-N 0 0 315.395 0.373 50 0 DCAARN COc1ccc(CNC(=O)/C=C/C(=O)N[C@H](C)CCO)cc1 ZINC000585122100 766286681 /nfs/dbraw/zinc/28/66/81/766286681.db2.gz NOXQNYQJGKVEFG-ABZNLYFFSA-N 0 0 306.362 0.755 50 0 DCAARN CC(C)N(C)C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 ZINC000585135194 766291902 /nfs/dbraw/zinc/29/19/02/766291902.db2.gz LIDGMJUZIQFPOG-CYBMUJFWSA-N 0 0 317.455 0.641 50 0 DCAARN COC(=O)C1(CS(=O)(=O)N2CC[C@@H](N3CCC3)C2)CCC1 ZINC000952850553 768911343 /nfs/dbraw/zinc/91/13/43/768911343.db2.gz YMIJIZHSQRAJKT-GFCCVEGCSA-N 0 0 316.423 0.440 50 0 DCAARN CN(C)S(=O)(=O)N1CCC(CNC(=O)C2CCC2)CC1 ZINC000952866411 768956151 /nfs/dbraw/zinc/95/61/51/768956151.db2.gz ABIZWJJWDGJORQ-UHFFFAOYSA-N 0 0 303.428 0.421 50 0 DCAARN Cc1cnn([C@H](C)c2nc(CC(N)=O)nn2CC(F)(F)F)c1 ZINC000952866857 768957221 /nfs/dbraw/zinc/95/72/21/768957221.db2.gz GRAJEMRZIYAQPQ-MRVPVSSYSA-N 0 0 316.287 0.982 50 0 DCAARN Cc1n[nH]cc1CN(C)c1cncc(C(=O)N2CCOCC2)n1 ZINC001529125970 1014501006 /nfs/dbraw/zinc/50/10/06/1014501006.db2.gz GBMXLODVOFSRKA-UHFFFAOYSA-N 0 0 316.365 0.617 50 0 DCAARN CCC[C@]1(CO)CCN(c2ncccc2C(=O)NC)C[C@H]1O ZINC001529142007 1014504799 /nfs/dbraw/zinc/50/47/99/1014504799.db2.gz WVKAYJZGUUEHDQ-CZUORRHYSA-N 0 0 307.394 0.791 50 0 DCAARN Cc1nn(C)c(C)c1CN(C(=O)CCS(C)(=O)=O)C1CC1 ZINC001506399442 1017255041 /nfs/dbraw/zinc/25/50/41/1017255041.db2.gz NCIMIXWARFHPAT-UHFFFAOYSA-N 0 0 313.423 0.963 50 0 DCAARN CNC(=O)C[C@H]1CCN(C(=O)c2cc(C(C)C)nc(N)n2)C1 ZINC001506419100 1017266651 /nfs/dbraw/zinc/26/66/51/1017266651.db2.gz XHWVFMZAZXQOTP-SNVBAGLBSA-N 0 0 305.382 0.780 50 0 DCAARN COC[C@@H]1CCCN(S(=O)(=O)NCc2cc(C)no2)C1 ZINC001506421457 1017267340 /nfs/dbraw/zinc/26/73/40/1017267340.db2.gz GLWKNDKZYUPJHQ-LLVKDONJSA-N 0 0 303.384 0.676 50 0 DCAARN CNC(=O)C[C@H]1CCN(C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001506427134 1017267970 /nfs/dbraw/zinc/26/79/70/1017267970.db2.gz XCIIZJNIXPUBQC-SNVBAGLBSA-N 0 0 314.345 0.934 50 0 DCAARN CN(C)c1cnn(CC(=O)N(C)C[C@H]2CCCCO2)c(=O)c1 ZINC000095513269 185376353 /nfs/dbraw/zinc/37/63/53/185376353.db2.gz ZNCVXYINOWTLMP-CYBMUJFWSA-N 0 0 308.382 0.337 50 0 DCAARN Cc1ccccc1[C@@H](C(=O)NCc1noc(C(N)=O)n1)N(C)C ZINC000095518542 185376759 /nfs/dbraw/zinc/37/67/59/185376759.db2.gz ADUCDIMHQZLUGB-LBPRGKRZSA-N 0 0 317.349 0.396 50 0 DCAARN Cc1ccccc1[C@H](C(=O)NCc1noc(C(N)=O)n1)N(C)C ZINC000095518543 185376838 /nfs/dbraw/zinc/37/68/38/185376838.db2.gz ADUCDIMHQZLUGB-GFCCVEGCSA-N 0 0 317.349 0.396 50 0 DCAARN Cc1nc(CC2CCN(C(=O)CN3CCOC3=O)CC2)no1 ZINC000095520223 185377101 /nfs/dbraw/zinc/37/71/01/185377101.db2.gz NPFUAYGTDNFOCZ-UHFFFAOYSA-N 0 0 308.338 0.611 50 0 DCAARN CCS(=O)(=O)NCCNC(=O)[C@@H]1CCOc2ccccc21 ZINC000076806346 185043238 /nfs/dbraw/zinc/04/32/38/185043238.db2.gz IQHLVUWXYOOEJC-GFCCVEGCSA-N 0 0 312.391 0.608 50 0 DCAARN CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)CO)CN1Cc1ccoc1 ZINC000095524777 185377648 /nfs/dbraw/zinc/37/76/48/185377648.db2.gz RMDMPPXUTGXLLM-KGLIPLIRSA-N 0 0 323.393 0.199 50 0 DCAARN COc1ccccc1CNC(=O)C(=O)NCC[C@@H](O)C1CC1 ZINC000077108382 185109116 /nfs/dbraw/zinc/10/91/16/185109116.db2.gz ULQCCUJGYOTIJW-CYBMUJFWSA-N 0 0 306.362 0.589 50 0 DCAARN C[C@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1N1CCOCC1 ZINC000078896763 185124880 /nfs/dbraw/zinc/12/48/80/185124880.db2.gz XSEOCTJFYMTGHF-GXTWGEPZSA-N 0 0 315.377 0.522 50 0 DCAARN NC(=O)c1cc([C@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)n[nH]1 ZINC000078901595 185126066 /nfs/dbraw/zinc/12/60/66/185126066.db2.gz LLCISYMEXAOGHX-WDEREUQCSA-N 0 0 306.366 0.784 50 0 DCAARN CCOc1ccc(S(=O)(=O)NCCn2cc(C)cn2)cn1 ZINC000181296822 199278202 /nfs/dbraw/zinc/27/82/02/199278202.db2.gz DLIMRWDPOZECAH-UHFFFAOYSA-N 0 0 310.379 0.964 50 0 DCAARN CC(C)S(=O)(=O)N1CC[C@H](Oc2ccc(N(C)C)nn2)C1 ZINC000225450478 201711365 /nfs/dbraw/zinc/71/13/65/201711365.db2.gz FZTQDLLTHGKQBD-NSHDSACASA-N 0 0 314.411 0.734 50 0 DCAARN CCC1(CC)NC(=O)N(CC(=O)O[C@H]2C[C@H](C)OC2=O)C1=O ZINC000089948074 185270934 /nfs/dbraw/zinc/27/09/34/185270934.db2.gz RIMUZEBPNCMIFA-IUCAKERBSA-N 0 0 312.322 0.344 50 0 DCAARN Cc1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2=O)cc1 ZINC000082097018 192355543 /nfs/dbraw/zinc/35/55/43/192355543.db2.gz RFUBDFRCVYTEPF-ZDUSSCGKSA-N 0 0 301.346 0.449 50 0 DCAARN CSc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CCO)C3)cc1 ZINC000012347135 190635408 /nfs/dbraw/zinc/63/54/08/190635408.db2.gz OXWPLWFBOHWIFB-CYBMUJFWSA-N 0 0 319.386 0.851 50 0 DCAARN CO[C@H](C)CCNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000095395474 185352639 /nfs/dbraw/zinc/35/26/39/185352639.db2.gz BXHLDQPGYXWRPA-RKDXNWHRSA-N 0 0 311.304 0.874 50 0 DCAARN Cc1ccc(C)c(NC(=O)CN2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000095407436 185356147 /nfs/dbraw/zinc/35/61/47/185356147.db2.gz RWYBMOJVJPNZAH-ZDUSSCGKSA-N 0 0 316.361 0.478 50 0 DCAARN Cc1cccc2nc(CNC(=O)[C@@H]3CN(C)CCO3)n(C)c21 ZINC000095429878 185362655 /nfs/dbraw/zinc/36/26/55/185362655.db2.gz WVGGEZIDPQGUTH-ZDUSSCGKSA-N 0 0 302.378 0.829 50 0 DCAARN C[C@@H](C(=O)N1CCOCC1)N1CCN(c2ncccc2F)CC1 ZINC000095433671 185363987 /nfs/dbraw/zinc/36/39/87/185363987.db2.gz UMZRHPYFTJACMY-ZDUSSCGKSA-N 0 0 322.384 0.590 50 0 DCAARN CCc1ccnc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c1 ZINC000181480703 199304425 /nfs/dbraw/zinc/30/44/25/199304425.db2.gz NBWNCELFWZEBGM-ZBEGNZNMSA-N 0 0 316.361 0.752 50 0 DCAARN CCOC(=O)c1cn(C)nc1NC(=O)NCCCNC(C)=O ZINC000095466940 185371966 /nfs/dbraw/zinc/37/19/66/185371966.db2.gz ALEJQSWGUSRYOY-UHFFFAOYSA-N 0 0 311.342 0.245 50 0 DCAARN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCO1 ZINC000095455544 185370074 /nfs/dbraw/zinc/37/00/74/185370074.db2.gz YDNPKUFRUJJJMY-JQWIXIFHSA-N 0 0 324.402 0.818 50 0 DCAARN CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C)CC2)s1 ZINC000016623000 190642172 /nfs/dbraw/zinc/64/21/72/190642172.db2.gz WOBXPBHAXPMZEL-UHFFFAOYSA-N 0 0 318.424 0.346 50 0 DCAARN Cn1ccnc(NC(=O)N[C@H](CO)Cc2ccccc2)c1=O ZINC000095466902 185372142 /nfs/dbraw/zinc/37/21/42/185372142.db2.gz LWGVKFFBVZTBBO-LBPRGKRZSA-N 0 0 302.334 0.505 50 0 DCAARN CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)c1ncc[nH]1)C2 ZINC000071748435 282315115 /nfs/dbraw/zinc/31/51/15/282315115.db2.gz HJANPCLDKOCCLK-UHFFFAOYSA-N 0 0 315.381 0.530 50 0 DCAARN CN1CC[C@@H](C(=O)N2CCN(c3nccs3)CC2)CC1=O ZINC000044363935 190673312 /nfs/dbraw/zinc/67/33/12/190673312.db2.gz CLNVNMCAFUNXLX-LLVKDONJSA-N 0 0 308.407 0.660 50 0 DCAARN C[N@H+]1[C@@H](c2ccccc2F)[C@@H](C(=O)NCCCO)C[C@H]1C(=O)[O-] ZINC000067803270 190723180 /nfs/dbraw/zinc/72/31/80/190723180.db2.gz PUOVVHKXQITYKE-UBHSHLNASA-N 0 0 324.352 0.770 50 0 DCAARN CCOCCN1CCN(CC(=O)NCc2ccco2)C[C@@H]1C ZINC000070020687 190851613 /nfs/dbraw/zinc/85/16/13/190851613.db2.gz FYWDXHCWSVQGCG-AWEZNQCLSA-N 0 0 309.410 0.938 50 0 DCAARN COCCNC(=O)CN1CCN(c2ccncc2Cl)CC1 ZINC000083902900 192390704 /nfs/dbraw/zinc/39/07/04/192390704.db2.gz LDRKOWYCOQWMAP-UHFFFAOYSA-N 0 0 312.801 0.620 50 0 DCAARN C[C@@H](C(=O)N1CCO[C@H](CO)C1)n1nnc(-c2ccccc2)n1 ZINC000083927553 192391076 /nfs/dbraw/zinc/39/10/76/192391076.db2.gz YPKNYCKLOJWSBR-AAEUAGOBSA-N 0 0 317.349 0.121 50 0 DCAARN COc1ccnc(N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)n1 ZINC000133656136 186004113 /nfs/dbraw/zinc/00/41/13/186004113.db2.gz MAQWMGDKLDMCSQ-LLVKDONJSA-N 0 0 312.395 0.490 50 0 DCAARN COc1cc(OC)cc(C(=O)N2CCc3c(nc[nH]c3=O)C2)c1 ZINC000071751311 191021593 /nfs/dbraw/zinc/02/15/93/191021593.db2.gz AVYXVSOHAYVLMT-UHFFFAOYSA-N 0 0 315.329 0.986 50 0 DCAARN O=C([O-])[C@@H]1CN(C(=O)c2ccc3cccnc3c2O)CC[NH2+]1 ZINC000071753042 191023539 /nfs/dbraw/zinc/02/35/39/191023539.db2.gz NRSQTCPIANUKPP-NSHDSACASA-N 0 0 301.302 0.439 50 0 DCAARN O=C(CCCn1cnnn1)N1CCC[C@H](N2CCCC2=O)C1 ZINC000071759327 191025913 /nfs/dbraw/zinc/02/59/13/191025913.db2.gz GYXRXIRUEJNJNO-LBPRGKRZSA-N 0 0 306.370 0.067 50 0 DCAARN O=C(NCCNc1cc(N2CCCC2)ncn1)c1cnccn1 ZINC000072115725 191037502 /nfs/dbraw/zinc/03/75/02/191037502.db2.gz UORNTMIAOZJOMZ-UHFFFAOYSA-N 0 0 313.365 0.709 50 0 DCAARN Cc1cc(C)n(C)c(=O)c1C(=O)N1CCc2c(nc[nH]c2=O)C1 ZINC000072128965 191043538 /nfs/dbraw/zinc/04/35/38/191043538.db2.gz VRLYVFLVSZGWLS-UHFFFAOYSA-N 0 0 314.345 0.284 50 0 DCAARN CC(C)[C@H]1CN(C(=O)Cn2cncn2)CCC(=O)N1CC1CC1 ZINC000072148190 191054696 /nfs/dbraw/zinc/05/46/96/191054696.db2.gz CGGQXWFLPFTBJY-CQSZACIVSA-N 0 0 319.409 0.774 50 0 DCAARN NC(=O)c1noc(CN2CCCC[C@@H]2CCN2CCOCC2)n1 ZINC000072153612 191058355 /nfs/dbraw/zinc/05/83/55/191058355.db2.gz RDTGJQYSJYCHNR-GFCCVEGCSA-N 0 0 323.397 0.245 50 0 DCAARN CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1 ZINC000072156845 191060942 /nfs/dbraw/zinc/06/09/42/191060942.db2.gz DOGBGYQAHHWDLF-LBPRGKRZSA-N 0 0 321.377 0.140 50 0 DCAARN CCc1nc(C)ccc1OCC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC000072168232 191066831 /nfs/dbraw/zinc/06/68/31/191066831.db2.gz NAORNFKDMSKAFT-QGZVFWFLSA-N 0 0 321.421 0.856 50 0 DCAARN O=C(CCc1[nH]nc2c1CCCC2)N1CCC[C@@](O)(CO)CC1 ZINC000072169901 191068655 /nfs/dbraw/zinc/06/86/55/191068655.db2.gz VJWILBWKAWJTPS-KRWDZBQOSA-N 0 0 321.421 0.957 50 0 DCAARN Cc1nc([C@@H]2CCCN(C(=O)Cn3ccccc3=O)C2)no1 ZINC000072232327 191078806 /nfs/dbraw/zinc/07/88/06/191078806.db2.gz VNQXACRZQNMXOC-GFCCVEGCSA-N 0 0 302.334 0.946 50 0 DCAARN O=C(NCCN1CCOCC1)[C@@H]1CCC(=O)N1Cc1ccco1 ZINC000072239618 191082998 /nfs/dbraw/zinc/08/29/98/191082998.db2.gz LSDRXAUWFABLKP-AWEZNQCLSA-N 0 0 321.377 0.219 50 0 DCAARN CCN1CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccco2)CC1 ZINC000072239631 191083210 /nfs/dbraw/zinc/08/32/10/191083210.db2.gz YNIOEAJVCYHHII-CQSZACIVSA-N 0 0 305.378 0.935 50 0 DCAARN CC(C)n1nnnc1CNC(=O)[C@@H]1COc2ccccc2O1 ZINC000072239345 191083247 /nfs/dbraw/zinc/08/32/47/191083247.db2.gz MTJVOKYMOHRWOS-LBPRGKRZSA-N 0 0 303.322 0.710 50 0 DCAARN Cc1cc2ccccc2n1CC(=O)NCC(=O)N1CCOCC1 ZINC000072243200 191086481 /nfs/dbraw/zinc/08/64/81/191086481.db2.gz YFBAHWKRIDFUAN-UHFFFAOYSA-N 0 0 315.373 0.925 50 0 DCAARN CCc1ccccc1OCC(=O)N[C@@H](CC(=O)OC)C(=O)OC ZINC000072245335 191087739 /nfs/dbraw/zinc/08/77/39/191087739.db2.gz CKTKXYQQBHESQE-LBPRGKRZSA-N 0 0 323.345 0.849 50 0 DCAARN CC(=O)N1CCC(C(=O)N2CCC[C@@H](n3cncn3)C2)CC1 ZINC000072272251 191093530 /nfs/dbraw/zinc/09/35/30/191093530.db2.gz SKNUNSXQWIYGGV-CQSZACIVSA-N 0 0 305.382 0.700 50 0 DCAARN CN(CC(=O)N1CCC[C@H](c2cc[nH]n2)C1)S(C)(=O)=O ZINC000072283060 191104325 /nfs/dbraw/zinc/10/43/25/191104325.db2.gz IMWRJAOAQSFNKO-JTQLQIEISA-N 0 0 300.384 0.007 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000072294611 191110484 /nfs/dbraw/zinc/11/04/84/191110484.db2.gz JCMQSQHTNXXGOG-CQSZACIVSA-N 0 0 305.378 0.092 50 0 DCAARN COCCNC(=O)CN(C)CC(=O)Nc1cccnc1Cl ZINC000072296405 191111935 /nfs/dbraw/zinc/11/19/35/191111935.db2.gz WPKITVOCMWQWIQ-UHFFFAOYSA-N 0 0 314.773 0.368 50 0 DCAARN CCn1nc2c(cc1=O)CN(CC(=O)Nc1nccs1)CC2 ZINC000072302258 191114854 /nfs/dbraw/zinc/11/48/54/191114854.db2.gz FDMGEGANAXIXKE-UHFFFAOYSA-N 0 0 319.390 0.717 50 0 DCAARN C[C@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H]1N1CCOCC1 ZINC000072300436 191113684 /nfs/dbraw/zinc/11/36/84/191113684.db2.gz ZHDWCRNGKCMCQP-ZFWWWQNUSA-N 0 0 306.410 0.532 50 0 DCAARN CS(=O)(=O)NCC(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 ZINC000072299509 191114028 /nfs/dbraw/zinc/11/40/28/191114028.db2.gz PAJVVLCIBTZUSD-SECBINFHSA-N 0 0 314.367 0.160 50 0 DCAARN Cc1nnc([C@H]2CN(Cc3nnc(C4CC4)n3C)CCO2)[nH]1 ZINC000072300120 191114243 /nfs/dbraw/zinc/11/42/43/191114243.db2.gz ZUJLSPRPCXRDNL-LLVKDONJSA-N 0 0 303.370 0.693 50 0 DCAARN C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)CN1C(=O)CCC1=O ZINC000225597164 186281570 /nfs/dbraw/zinc/28/15/70/186281570.db2.gz PKVJBGMQGOGJAQ-NSHDSACASA-N 0 0 316.357 0.818 50 0 DCAARN O=C1CO[C@H]2CCN(Cc3ncnn3-c3ccccc3)C[C@H]2N1 ZINC000253396726 186305606 /nfs/dbraw/zinc/30/56/06/186305606.db2.gz AXYCLZXPBSSYGR-KGLIPLIRSA-N 0 0 313.361 0.357 50 0 DCAARN Cc1ccc(C(=O)NCCn2cccn2)c(-n2cnnn2)c1C ZINC000253411273 186309712 /nfs/dbraw/zinc/30/97/12/186309712.db2.gz OKOIFDWVTOKUSB-UHFFFAOYSA-N 0 0 311.349 0.906 50 0 DCAARN CN(CCn1cccn1)C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000171880456 198000235 /nfs/dbraw/zinc/00/02/35/198000235.db2.gz PDWNTUZIUJZQHD-UWVGGRQHSA-N 0 0 318.299 0.799 50 0 DCAARN CCC(CC)NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000072437229 191165576 /nfs/dbraw/zinc/16/55/76/191165576.db2.gz VWJHPFNPRDLLAV-NSHDSACASA-N 0 0 305.444 0.810 50 0 DCAARN Cc1ccn(-c2ccc(NCCNC(=O)[C@H]3CCCO3)nn2)n1 ZINC000072446701 191169042 /nfs/dbraw/zinc/16/90/42/191169042.db2.gz UCGPMKQUCVLBGR-GFCCVEGCSA-N 0 0 316.365 0.678 50 0 DCAARN CN(C(=O)C1CCN(S(C)(=O)=O)CC1)[C@H]1CCCC[C@@H]1O ZINC000072446849 191169099 /nfs/dbraw/zinc/16/90/99/191169099.db2.gz CNCQXJBFYDSQGM-STQMWFEESA-N 0 0 318.439 0.420 50 0 DCAARN Cn1c2c(ncn2CC(=O)c2ccc(F)cc2)c(=O)[nH]c1=O ZINC000000392239 180775796 /nfs/dbraw/zinc/77/57/96/180775796.db2.gz FLJBBQDSWMFDJT-UHFFFAOYSA-N 0 0 302.265 0.445 50 0 DCAARN COC(=O)CNC(=O)COC(=O)c1cnc(Cl)c(Cl)c1 ZINC000003297755 181001451 /nfs/dbraw/zinc/00/14/51/181001451.db2.gz KPTVVTYOVGQVDB-UHFFFAOYSA-N 0 0 321.116 0.834 50 0 DCAARN O=C(COC(=O)c1cc2ccccc2oc1=O)N1CCOCC1 ZINC000003335407 181007498 /nfs/dbraw/zinc/00/74/98/181007498.db2.gz ATSIPGGUDZTVQL-UHFFFAOYSA-N 0 0 317.297 0.809 50 0 DCAARN COCCn1c(=O)[nH]c2cc(C(=O)NC(C)C)ccc2c1=O ZINC000003906592 181055701 /nfs/dbraw/zinc/05/57/01/181055701.db2.gz AVQFMOYGSSVKAA-UHFFFAOYSA-N 0 0 305.334 0.474 50 0 DCAARN Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1Cc1cccnc1 ZINC000004248599 181087896 /nfs/dbraw/zinc/08/78/96/181087896.db2.gz IHHCFFHZPCNARV-UHFFFAOYSA-N 0 0 324.344 0.438 50 0 DCAARN CCN1CCN(CC(=O)NCCc2ccccc2)C(=O)C1=O ZINC000004326393 181098623 /nfs/dbraw/zinc/09/86/23/181098623.db2.gz FHWGKFRLVVJXEG-UHFFFAOYSA-N 0 0 303.362 0.036 50 0 DCAARN COC(=O)/C=c1/s/c(=C\C(=O)Nc2cccc(C)c2)[nH]c1=O ZINC000004477738 181112153 /nfs/dbraw/zinc/11/21/53/181112153.db2.gz FXJOTAKPOHWYID-NVGJIZNYSA-N 0 0 318.354 0.118 50 0 DCAARN O=c1[nH]cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(=O)[nH]1 ZINC000004495759 181115076 /nfs/dbraw/zinc/11/50/76/181115076.db2.gz FJRWHSIYWZMFRG-UHFFFAOYSA-N 0 0 319.701 0.657 50 0 DCAARN N=C1C(=O)OC[C@H]1c1ccccc1NC(=O)CN1CCOCC1 ZINC000004649577 181132113 /nfs/dbraw/zinc/13/21/13/181132113.db2.gz JGHCCFBSAPLVBE-LBPRGKRZSA-N 0 0 317.345 0.617 50 0 DCAARN COC(=O)[C@H](NC(=O)CSc1ncn(N)n1)c1ccccc1 ZINC000004698174 181138361 /nfs/dbraw/zinc/13/83/61/181138361.db2.gz RBVRTLGXTVCCCF-LLVKDONJSA-N 0 0 321.362 0.115 50 0 DCAARN CS(=O)(=O)N1CCC(C(=O)NCCCn2ccnc2)CC1 ZINC000004911497 181172142 /nfs/dbraw/zinc/17/21/42/181172142.db2.gz SOYPKFWCEFFYRD-UHFFFAOYSA-N 0 0 314.411 0.061 50 0 DCAARN Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C(N)=O)n1 ZINC000004922781 181173546 /nfs/dbraw/zinc/17/35/46/181173546.db2.gz VICOQYZSSKPZKZ-UHFFFAOYSA-N 0 0 318.358 0.908 50 0 DCAARN O=C([O-])[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCOCCO ZINC000004939570 181175586 /nfs/dbraw/zinc/17/55/86/181175586.db2.gz CQFUABGHLJLOQJ-LBPRGKRZSA-N 0 0 314.313 0.206 50 0 DCAARN Cc1c(C(=O)NCCCO)sc2nc3n(c(=O)c12)CCC3 ZINC000004942572 181176788 /nfs/dbraw/zinc/17/67/88/181176788.db2.gz DFPUOBFWRXXXEQ-UHFFFAOYSA-N 0 0 307.375 0.825 50 0 DCAARN C[C@]1(C2CCN(C(=O)NC[C@@H]3CCCO3)CC2)NC(=O)NC1=O ZINC000075106742 191418205 /nfs/dbraw/zinc/41/82/05/191418205.db2.gz CCVFDOWPMBYDBD-XHDPSFHLSA-N 0 0 324.381 0.185 50 0 DCAARN Cc1ccc(N2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)nn1 ZINC000077303667 191689272 /nfs/dbraw/zinc/68/92/72/191689272.db2.gz MVDXNGMUPKSDIE-TZMCWYRMSA-N 0 0 313.361 0.550 50 0 DCAARN O=C(COc1ncnc2ccccc21)N1CCOC[C@@H](O)C1 ZINC000077378374 191703772 /nfs/dbraw/zinc/70/37/72/191703772.db2.gz TVDABWYVUSUCDD-NSHDSACASA-N 0 0 303.318 0.228 50 0 DCAARN COCCNC(=O)Cn1nc(C)n2c3ccoc3cc2c1=O ZINC000005149259 181209538 /nfs/dbraw/zinc/20/95/38/181209538.db2.gz HMVJANVJQSQFJE-UHFFFAOYSA-N 0 0 304.306 0.313 50 0 DCAARN [NH3+]CCCC[C@@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-] ZINC000005273655 181224981 /nfs/dbraw/zinc/22/49/81/181224981.db2.gz VPCYMTNCRVUYFU-CYBMUJFWSA-N 0 0 321.377 0.044 50 0 DCAARN CCOc1ccc(NC(=O)C[C@@H]([NH2+]C[C@H](C)O)C(=O)[O-])cc1 ZINC000005257844 181223164 /nfs/dbraw/zinc/22/31/64/181223164.db2.gz FFFYTLUCYIJLLB-GXFFZTMASA-N 0 0 310.350 0.838 50 0 DCAARN Cn1nnc2c1ncnc2Nc1ccc(S(N)(=O)=O)cc1 ZINC000005381262 181237071 /nfs/dbraw/zinc/23/70/71/181237071.db2.gz NYADRCVNGQXVPJ-UHFFFAOYSA-N 0 0 305.323 0.149 50 0 DCAARN CC(=O)c1ccc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)cc1 ZINC000005481255 181248541 /nfs/dbraw/zinc/24/85/41/181248541.db2.gz HBLOCZOAQPENRO-CQSZACIVSA-N 0 0 302.330 0.853 50 0 DCAARN O=C([O-])CC[C@@H]1CN(c2cnccn2)CC[C@@H]1[NH+]1CCOCC1 ZINC000095387363 304060747 /nfs/dbraw/zinc/06/07/47/304060747.db2.gz LQJUREKELZNLPJ-KGLIPLIRSA-N 0 0 320.393 0.869 50 0 DCAARN CNC(=O)[C@@H](NC(=O)Nc1ccc(=O)n(C)c1)c1ccccc1 ZINC000095955732 290540914 /nfs/dbraw/zinc/54/09/14/290540914.db2.gz HHVHPWOWHNPUQP-AWEZNQCLSA-N 0 0 314.345 0.994 50 0 DCAARN C/C=C/C[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000185278717 199833872 /nfs/dbraw/zinc/83/38/72/199833872.db2.gz JDZQOTJNNSTDOK-JDGPPOGSSA-N 0 0 324.402 0.578 50 0 DCAARN O=C(c1cc(C2CC2)on1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000186648308 199985815 /nfs/dbraw/zinc/98/58/15/199985815.db2.gz ZPEHQXRIZNNVIU-LBPRGKRZSA-N 0 0 318.377 0.588 50 0 DCAARN O=C(CN1C(=O)N[C@@]2(CCOC2)C1=O)Nc1ccc(Cl)cc1 ZINC000089788290 192869942 /nfs/dbraw/zinc/86/99/42/192869942.db2.gz UVLYHJWUTQLPJN-CQSZACIVSA-N 0 0 323.736 0.989 50 0 DCAARN C[C@H](NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)[C@H]1CCCO1 ZINC000240551714 238158432 /nfs/dbraw/zinc/15/84/32/238158432.db2.gz GVNDOQOWEMSWHU-QJPTWQEYSA-N 0 0 319.427 0.277 50 0 DCAARN C[C@@H](c1nnnn1C1CC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000192060700 200811149 /nfs/dbraw/zinc/81/11/49/200811149.db2.gz PPWNGIYJCGQCSM-JTQLQIEISA-N 0 0 316.369 0.151 50 0 DCAARN COc1cncc([C@H](NC(=O)c2[nH]nnc2C)[C@H]2C[C@H](O)C2)c1 ZINC000244652073 202486372 /nfs/dbraw/zinc/48/63/72/202486372.db2.gz GZFPLYQCNAKBQN-GLXFQSAKSA-N 0 0 317.349 0.759 50 0 DCAARN Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)NC(N)=O)c(C)c1 ZINC000006281940 181325517 /nfs/dbraw/zinc/32/55/17/181325517.db2.gz FUFDPSACGYRZKV-VIFPVBQESA-N 0 0 320.378 0.955 50 0 DCAARN CC(C)CN1C(=O)/C(=C\c2cnn(C)c2)N=C1SCC(N)=O ZINC000006387741 181336326 /nfs/dbraw/zinc/33/63/26/181336326.db2.gz QDIKKUSZMMVTGM-NYYWCZLTSA-N 0 0 321.406 0.834 50 0 DCAARN C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccncc1 ZINC000006413105 181339273 /nfs/dbraw/zinc/33/92/73/181339273.db2.gz WZVHSAYMIIWDAK-AAEUAGOBSA-N 0 0 311.407 0.930 50 0 DCAARN CC(C)N1C(=O)C(=O)N(CC(=O)N2CCc3ccccc32)C1=O ZINC000006436059 181340865 /nfs/dbraw/zinc/34/08/65/181340865.db2.gz NVPKTPOFDFIIDT-UHFFFAOYSA-N 0 0 315.329 0.775 50 0 DCAARN COc1ccc([C@H](NC(=O)Cn2cccn2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244748477 202496059 /nfs/dbraw/zinc/49/60/59/202496059.db2.gz OIGDFEQTBCBWKE-ZENOOKHLSA-N 0 0 316.361 0.915 50 0 DCAARN O=C1NCC[C@@H]1Oc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000408525425 239272469 /nfs/dbraw/zinc/27/24/69/239272469.db2.gz VUTHVYSFZDNVBN-ZDUSSCGKSA-N 0 0 310.375 0.738 50 0 DCAARN O=C([C@@H]1COCCO1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000071821277 296058119 /nfs/dbraw/zinc/05/81/19/296058119.db2.gz 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/nfs/dbraw/zinc/07/00/65/193070065.db2.gz KOECBMFJPKRNDO-MRVPVSSYSA-N 0 0 309.326 0.140 50 0 DCAARN CCc1nnc(CN(CC)C(=O)[C@H]2CC(=O)N(C3CC3)C2)o1 ZINC000091656340 193086222 /nfs/dbraw/zinc/08/62/22/193086222.db2.gz WGLJYHBVPUNAGD-JTQLQIEISA-N 0 0 306.366 0.991 50 0 DCAARN CCN1C[C@@H](C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)CCC1=O ZINC000091726104 193098382 /nfs/dbraw/zinc/09/83/82/193098382.db2.gz BYGXFBXBOBDYNX-NSHDSACASA-N 0 0 318.377 0.189 50 0 DCAARN COc1ccc(OC)c(CC(=O)NCCc2noc(CO)n2)c1 ZINC000215303601 201458093 /nfs/dbraw/zinc/45/80/93/201458093.db2.gz ZUYYVAQXQPRXNK-UHFFFAOYSA-N 0 0 321.333 0.481 50 0 DCAARN CN(CC(=O)Nc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000007014690 181431938 /nfs/dbraw/zinc/43/19/38/181431938.db2.gz ZTGSFQAGMYCMGC-GFCCVEGCSA-N 0 0 300.355 0.883 50 0 DCAARN CC(C)c1nccc(C(=O)N[C@@H]2COCC[C@@H]2OCCO)n1 ZINC000219279039 201553345 /nfs/dbraw/zinc/55/33/45/201553345.db2.gz LGODAMMVLFOSTE-OLZOCXBDSA-N 0 0 309.366 0.496 50 0 DCAARN COCCCn1cnnc1CNC(=O)c1ccc2n[nH]nc2c1 ZINC000220579291 201576886 /nfs/dbraw/zinc/57/68/86/201576886.db2.gz BOPWUYPGEBTJFZ-UHFFFAOYSA-N 0 0 315.337 0.516 50 0 DCAARN O=C(COC[C@H]1CCCCO1)NCCSc1nc[nH]n1 ZINC000221357620 201586741 /nfs/dbraw/zinc/58/67/41/201586741.db2.gz DQODSMVFYIIIBI-SNVBAGLBSA-N 0 0 300.384 0.599 50 0 DCAARN COC(=O)c1ccc(/C=C\C(=O)N2CC[C@H](NC(N)=O)C2)cc1 ZINC000222025646 201598009 /nfs/dbraw/zinc/59/80/09/201598009.db2.gz UGULUEZBUGPMFU-IRBQFCFKSA-N 0 0 317.345 0.756 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cn[nH]c1 ZINC000222489126 201611136 /nfs/dbraw/zinc/61/11/36/201611136.db2.gz LYZJBGDGYWNWPC-VXGBXAGGSA-N 0 0 308.363 0.970 50 0 DCAARN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1C[C@@H]2OCC[C@H]12 ZINC000222514781 201613822 /nfs/dbraw/zinc/61/38/22/201613822.db2.gz XFRYNDPWANYFDH-WXHSDQCUSA-N 0 0 310.375 0.550 50 0 DCAARN CCc1nc(S(=O)(=O)N[C@H]2[C@@H](COC)[C@H]3OCC[C@@H]23)c[nH]1 ZINC000223633295 201652191 /nfs/dbraw/zinc/65/21/91/201652191.db2.gz DGFSOCJPBBJDGP-ZFWZSOMGSA-N 0 0 315.395 0.300 50 0 DCAARN O=C(NCCc1nc(Cc2ccccc2)no1)[C@@H]1CCC(=O)N1 ZINC000223735918 201655066 /nfs/dbraw/zinc/65/50/66/201655066.db2.gz LWKKRANLDAWRHM-LBPRGKRZSA-N 0 0 314.345 0.598 50 0 DCAARN Cc1nc2c(c(C)n1)C[C@@H](CN1Cc3cnn(CCO)c3C1)O2 ZINC000252479961 202839931 /nfs/dbraw/zinc/83/99/31/202839931.db2.gz BQVFMEPNOMFCQC-ZDUSSCGKSA-N 0 0 315.377 0.602 50 0 DCAARN CS(=O)(=O)N1CCC(C(=O)NCCCc2cnoc2)CC1 ZINC000252497344 202852828 /nfs/dbraw/zinc/85/28/28/202852828.db2.gz QEIBIVWCUGGZNM-UHFFFAOYSA-N 0 0 315.395 0.395 50 0 DCAARN O=C(COC(=O)c1cc[n+]([O-])cc1)NC(=O)NCc1ccco1 ZINC000007681724 181485466 /nfs/dbraw/zinc/48/54/66/181485466.db2.gz KRCMUMSRXIYEOJ-UHFFFAOYSA-N 0 0 319.273 0.096 50 0 DCAARN CC(=O)N1CCC[C@H]1C(=O)N1CCN(Cc2cc(C)on2)CC1 ZINC000095964474 193462498 /nfs/dbraw/zinc/46/24/98/193462498.db2.gz LIAJLEKHJBSRAV-HNNXBMFYSA-N 0 0 320.393 0.638 50 0 DCAARN CC(C)Cn1cc(N2C[C@H](C(=O)N3CCOCC3)CC2=O)cn1 ZINC000096192214 193570299 /nfs/dbraw/zinc/57/02/99/193570299.db2.gz FQVIKHGKYDPSNA-CYBMUJFWSA-N 0 0 320.393 0.751 50 0 DCAARN O=C(NCCCO)c1nn(-c2ccc(Cl)cc2)nc1CO ZINC000008613472 181569485 /nfs/dbraw/zinc/56/94/85/181569485.db2.gz RYNPWGFHLBEZOX-UHFFFAOYSA-N 0 0 310.741 0.525 50 0 DCAARN Cc1noc2nc(C)cc(C(=O)OCc3nc(N)nc(N)n3)c12 ZINC000009316103 181614243 /nfs/dbraw/zinc/61/42/43/181614243.db2.gz KOCHTWQKLQFVDR-UHFFFAOYSA-N 0 0 315.293 0.546 50 0 DCAARN O=C(CNC(=O)COc1ccccc1)NCCc1ccccn1 ZINC000012476212 181766074 /nfs/dbraw/zinc/76/60/74/181766074.db2.gz DXDYQRFTXSGXHO-UHFFFAOYSA-N 0 0 313.357 0.936 50 0 DCAARN CC(C)(C)CN1C[C@@H](NS(=O)(=O)N2CCCC2)CC1=O ZINC000012571450 181777814 /nfs/dbraw/zinc/77/78/14/181777814.db2.gz GRDZPFSCHYQXIJ-NSHDSACASA-N 0 0 303.428 0.564 50 0 DCAARN COC(=O)c1nn(CN2CCOCC2)c(=O)c2ccccc21 ZINC000014021267 181920747 /nfs/dbraw/zinc/92/07/47/181920747.db2.gz DUKJBHZOBBONJL-UHFFFAOYSA-N 0 0 303.318 0.473 50 0 DCAARN CNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000013996884 181918516 /nfs/dbraw/zinc/91/85/16/181918516.db2.gz XFOAJXYWXJFNNN-DTORHVGOSA-N 0 0 318.420 0.906 50 0 DCAARN CNS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C)CC2)c1 ZINC000014165019 181931676 /nfs/dbraw/zinc/93/16/76/181931676.db2.gz QZKBOKQZHPGVJU-UHFFFAOYSA-N 0 0 315.370 0.121 50 0 DCAARN CC(C)Nc1ncc(C(=O)N2CCN(C(=O)N(C)C)CC2)cn1 ZINC000097301268 193705888 /nfs/dbraw/zinc/70/58/88/193705888.db2.gz VLQSGRKZDYYINN-UHFFFAOYSA-N 0 0 320.397 0.736 50 0 DCAARN CCOC(=O)CN1CCN(Cc2cccc(C)c2)C(=O)C1=O ZINC000015864699 182022545 /nfs/dbraw/zinc/02/25/45/182022545.db2.gz NINDGNKEGHZNNV-UHFFFAOYSA-N 0 0 304.346 0.729 50 0 DCAARN CCn1nc(Oc2nc(N(C)C)nc(N(C)C)n2)ccc1=O ZINC000016623457 182054060 /nfs/dbraw/zinc/05/40/60/182054060.db2.gz ZPMJNYACMXNNAY-UHFFFAOYSA-N 0 0 305.342 0.373 50 0 DCAARN CCN(c1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O ZINC000016651291 182056037 /nfs/dbraw/zinc/05/60/37/182056037.db2.gz XRYKCDZRZONUKK-UHFFFAOYSA-N 0 0 312.391 0.945 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCOC3=O)CC2)cc1 ZINC000016978639 182066967 /nfs/dbraw/zinc/06/69/67/182066967.db2.gz WDFMCPCHQLKHFL-CQSZACIVSA-N 0 0 324.402 0.617 50 0 DCAARN CCN(CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)Cc1ccco1 ZINC000042148453 284381140 /nfs/dbraw/zinc/38/11/40/284381140.db2.gz WBFHBAFKLFIXKQ-LBPRGKRZSA-N 0 0 314.407 0.747 50 0 DCAARN NC(=O)C1CCN([C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)CC1 ZINC000018249702 182100889 /nfs/dbraw/zinc/10/08/89/182100889.db2.gz HDXHAEYBVYIETN-CYBMUJFWSA-N 0 0 319.336 0.655 50 0 DCAARN COc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H](O4)[C@@H]3C2=O)cc1 ZINC000018322777 182101278 /nfs/dbraw/zinc/10/12/78/182101278.db2.gz NVTXREHUIIOIME-RNJOBUHISA-N 0 0 314.297 0.278 50 0 DCAARN O=C(CN1C(=O)[C@H]2CCCN2C1=O)Nc1ccc2c(c1)OCO2 ZINC000018408190 182102035 /nfs/dbraw/zinc/10/20/35/182102035.db2.gz GSFOZAHVYVYEPN-SNVBAGLBSA-N 0 0 317.301 0.780 50 0 DCAARN COc1ccc(COC[C@@H](O)CN2CCOCC2)cc1OC ZINC000019338609 182116648 /nfs/dbraw/zinc/11/66/48/182116648.db2.gz MABSQKAHKUSDJJ-AWEZNQCLSA-N 0 0 311.378 0.914 50 0 DCAARN NC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000019720911 182138729 /nfs/dbraw/zinc/13/87/29/182138729.db2.gz UUTRTANIEOWWSJ-CYBMUJFWSA-N 0 0 319.336 0.655 50 0 DCAARN O=C(CCN1CCCO1)N1CCNC(=O)[C@H]1c1cccc(F)c1 ZINC000019635267 182134475 /nfs/dbraw/zinc/13/44/75/182134475.db2.gz ZUMBLEPOUPSCKP-OAHLLOKOSA-N 0 0 321.352 0.853 50 0 DCAARN C[C@H](C(=O)NCc1ccc(S(N)(=O)=O)cc1)n1cccn1 ZINC000019792647 182149688 /nfs/dbraw/zinc/14/96/88/182149688.db2.gz SKJNYWUCYVBVKS-SNVBAGLBSA-N 0 0 308.363 0.408 50 0 DCAARN COc1cccc(NC(=O)C(=O)NCCCN2CCOCC2)c1 ZINC000019799797 182151530 /nfs/dbraw/zinc/15/15/30/182151530.db2.gz PGNDLFDEEGSUPW-UHFFFAOYSA-N 0 0 321.377 0.472 50 0 DCAARN C[C@H](NC(=O)C(=O)NCCCN1CCOCC1)c1ccccc1 ZINC000019831220 182154334 /nfs/dbraw/zinc/15/43/34/182154334.db2.gz GYUVPHRWLLGPLU-AWEZNQCLSA-N 0 0 319.405 0.702 50 0 DCAARN O=C(NCCCN1CCOCC1)c1n[nH]c(=O)c2ccccc21 ZINC000020103966 182187033 /nfs/dbraw/zinc/18/70/33/182187033.db2.gz MYDPBRZVLJAZBV-UHFFFAOYSA-N 0 0 316.361 0.375 50 0 DCAARN CN(C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000020245008 182200036 /nfs/dbraw/zinc/20/00/36/182200036.db2.gz PDCRRSPCGJEDBA-UHFFFAOYSA-N 0 0 303.359 0.527 50 0 DCAARN Cc1ccccc1Cn1cc(C(=O)N(C)C[C@H](O)CO)nn1 ZINC000020406285 182215181 /nfs/dbraw/zinc/21/51/81/182215181.db2.gz JDIXUXUJMZETCC-ZDUSSCGKSA-N 0 0 304.350 0.060 50 0 DCAARN COC(=O)c1ccc(NC(=S)N2CCN(CCO)CC2)cc1 ZINC000020325957 182207992 /nfs/dbraw/zinc/20/79/92/182207992.db2.gz CJYUHGVORHXDDH-UHFFFAOYSA-N 0 0 323.418 0.780 50 0 DCAARN O=C(Cn1ncn2cccc2c1=O)NCc1ccc(F)cc1 ZINC000020467166 182221085 /nfs/dbraw/zinc/22/10/85/182221085.db2.gz KWTQCXJKVAWXCJ-UHFFFAOYSA-N 0 0 300.293 0.952 50 0 DCAARN Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1CCCO1 ZINC000020910682 182253618 /nfs/dbraw/zinc/25/36/18/182253618.db2.gz WYUIWFQIFZRPTC-OAHLLOKOSA-N 0 0 317.389 0.849 50 0 DCAARN CC[C@@H](C)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000020886863 182251390 /nfs/dbraw/zinc/25/13/90/182251390.db2.gz WQRFPEWZVWEUNO-CYBMUJFWSA-N 0 0 315.373 0.973 50 0 DCAARN NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000020898511 182252246 /nfs/dbraw/zinc/25/22/46/182252246.db2.gz VGDRKWFZIMSBRT-UHFFFAOYSA-N 0 0 300.355 0.853 50 0 DCAARN C[C@H](NC(=O)CN1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000020940005 182256062 /nfs/dbraw/zinc/25/60/62/182256062.db2.gz ZYWHALVOOCKZKW-LBPRGKRZSA-N 0 0 306.362 0.967 50 0 DCAARN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2cnc(C)cn2)CC1 ZINC000022741869 182332477 /nfs/dbraw/zinc/33/24/77/182332477.db2.gz KFMLGCSDDSBPGO-NSHDSACASA-N 0 0 320.349 0.021 50 0 DCAARN CCc1ccc(N2C[C@H](C(=O)NCCNC(C)=O)CC2=O)cc1 ZINC000022755769 182333416 /nfs/dbraw/zinc/33/34/16/182333416.db2.gz COODDBHBZSYODJ-CQSZACIVSA-N 0 0 317.389 0.854 50 0 DCAARN O=C(NCCN1CCOCC1)C(=O)Nc1ccc(F)cc1F ZINC000022852786 182337914 /nfs/dbraw/zinc/33/79/14/182337914.db2.gz IFKYTGRRUAQVNK-UHFFFAOYSA-N 0 0 313.304 0.352 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1ccc(F)cc1 ZINC000023141924 182350803 /nfs/dbraw/zinc/35/08/03/182350803.db2.gz SOSQZEQVEDZRKW-UHFFFAOYSA-N 0 0 305.309 0.760 50 0 DCAARN Cn1ccnc1[C@@H](O)CNc1nccc(-c2ncnn2C)n1 ZINC000023145343 182351494 /nfs/dbraw/zinc/35/14/94/182351494.db2.gz SGYJDQCONBXEET-JTQLQIEISA-N 0 0 300.326 0.151 50 0 DCAARN CC(C)(C)NC(=O)CNC(=O)c1ccccc1S(C)(=O)=O ZINC000023695908 182367106 /nfs/dbraw/zinc/36/71/06/182367106.db2.gz XXDPYKAYZUUGKE-UHFFFAOYSA-N 0 0 312.391 0.735 50 0 DCAARN O=C1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)CCN1 ZINC000023394749 182359960 /nfs/dbraw/zinc/35/99/60/182359960.db2.gz KKVSQIYKIQSOIP-UHFFFAOYSA-N 0 0 324.280 0.706 50 0 DCAARN CCn1nnnc1NC(=O)NCCc1[nH]nc2c1CCCC2 ZINC000023478782 182361615 /nfs/dbraw/zinc/36/16/15/182361615.db2.gz IUNPAQNYZJPSRF-UHFFFAOYSA-N 0 0 304.358 0.659 50 0 DCAARN O=C1N[C@]2(CCSC2)C(=O)N1C[C@H](O)COc1ccccc1 ZINC000024096843 182374785 /nfs/dbraw/zinc/37/47/85/182374785.db2.gz IXUYFPKIRPFBRI-NHYWBVRUSA-N 0 0 322.386 0.854 50 0 DCAARN C[C@H](NC(N)=O)C(=O)NCc1ccccc1Cn1cccn1 ZINC000025406483 182413455 /nfs/dbraw/zinc/41/34/55/182413455.db2.gz PQYGFEFNJIPQKP-NSHDSACASA-N 0 0 301.350 0.604 50 0 DCAARN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)n1cccn1 ZINC000028193802 182510462 /nfs/dbraw/zinc/51/04/62/182510462.db2.gz BYQMFNNQCRIAPR-LLVKDONJSA-N 0 0 322.390 0.450 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)NCCCn2cccn2)cc1 ZINC000030518636 182592150 /nfs/dbraw/zinc/59/21/50/182592150.db2.gz VFAYSNXZDUTFQT-UHFFFAOYSA-N 0 0 322.390 0.611 50 0 DCAARN CCCCn1c(N)c(N(C)C(=O)c2cc(C)no2)c(=O)[nH]c1=O ZINC000032740673 182658038 /nfs/dbraw/zinc/65/80/38/182658038.db2.gz CRGVEXSXSWAQTL-UHFFFAOYSA-N 0 0 321.337 0.492 50 0 DCAARN COC(=O)[C@H](C)NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O ZINC000036601587 182828075 /nfs/dbraw/zinc/82/80/75/182828075.db2.gz KWWCBFUMEADSTI-GZMMTYOYSA-N 0 0 319.317 0.454 50 0 DCAARN O=C(NCCn1ncccc1=O)c1cc(=O)c2ccccc2o1 ZINC000038510273 183001099 /nfs/dbraw/zinc/00/10/99/183001099.db2.gz MJSPNHLSRBKPTF-UHFFFAOYSA-N 0 0 311.297 0.780 50 0 DCAARN Cc1nccn1CCNC(=O)C(=O)Nc1ccc(Cl)cn1 ZINC000038720128 183007555 /nfs/dbraw/zinc/00/75/55/183007555.db2.gz DBFUODUHQGJIIN-UHFFFAOYSA-N 0 0 307.741 0.995 50 0 DCAARN Cc1nnc(CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)o1 ZINC000038718750 183007652 /nfs/dbraw/zinc/00/76/52/183007652.db2.gz SJTWDDSXCSKZSV-UHFFFAOYSA-N 0 0 318.289 0.404 50 0 DCAARN COc1ccccc1CNC(=O)C(=O)NCCn1ccnc1C ZINC000038718149 183007882 /nfs/dbraw/zinc/00/78/82/183007882.db2.gz MLDDBPBDCQYOQF-UHFFFAOYSA-N 0 0 316.361 0.633 50 0 DCAARN Cc1noc(C)c1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000040214622 183045658 /nfs/dbraw/zinc/04/56/58/183045658.db2.gz JGYOELMKUGRIRH-UHFFFAOYSA-N 0 0 315.376 0.930 50 0 DCAARN O=S(=O)(Cc1nc(C2CC2)no1)Cc1nnnn1C1CC1 ZINC000040106221 183035539 /nfs/dbraw/zinc/03/55/39/183035539.db2.gz YLSWEEAJTWYANC-UHFFFAOYSA-N 0 0 310.339 0.383 50 0 DCAARN O=C(CCC(=O)N1CCNC(=O)C1)Nc1nnc(C2CC2)s1 ZINC000040284367 183050817 /nfs/dbraw/zinc/05/08/17/183050817.db2.gz RTXVDRCOSLXACU-UHFFFAOYSA-N 0 0 323.378 0.093 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)Oc1ccc(S(C)(=O)=O)cc1 ZINC000040460863 183070005 /nfs/dbraw/zinc/07/00/05/183070005.db2.gz MBVZEPSHPHQUFX-MRVPVSSYSA-N 0 0 300.336 0.313 50 0 DCAARN COc1ccccc1CCNS(=O)(=O)N1CCOCC1 ZINC000040488221 183078551 /nfs/dbraw/zinc/07/85/51/183078551.db2.gz OEHIOCOUDSDMSK-UHFFFAOYSA-N 0 0 300.380 0.404 50 0 DCAARN CCN(CC(=O)NC)C(=O)CCn1c2ccccc2oc1=O ZINC000040539456 183096027 /nfs/dbraw/zinc/09/60/27/183096027.db2.gz BTYDDYNXQUYLSC-UHFFFAOYSA-N 0 0 305.334 0.579 50 0 DCAARN O=C(NCc1nnc2n1CCC2)c1cnc2sccn2c1=O ZINC000040489874 183080037 /nfs/dbraw/zinc/08/00/37/183080037.db2.gz OTHXUYVTBYWEFR-UHFFFAOYSA-N 0 0 316.346 0.224 50 0 DCAARN Cc1cc(=O)n2ncnc2n1C[C@H](O)COc1ccccc1 ZINC000040498014 183082537 /nfs/dbraw/zinc/08/25/37/183082537.db2.gz VWENJBNMBQLGMZ-LBPRGKRZSA-N 0 0 300.318 0.639 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)N(Cc1cccc(F)c1)C1CC1 ZINC000040498913 183082948 /nfs/dbraw/zinc/08/29/48/183082948.db2.gz ARENSHYGTIHCPS-UHFFFAOYSA-N 0 0 317.320 0.867 50 0 DCAARN CCN(CC(=O)NC)C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000040515496 183088838 /nfs/dbraw/zinc/08/88/38/183088838.db2.gz VCECSUYOCAJEMH-UHFFFAOYSA-N 0 0 317.345 0.267 50 0 DCAARN Cc1cnc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cn1 ZINC000040515941 183089341 /nfs/dbraw/zinc/08/93/41/183089341.db2.gz RBYMMVYVECUARJ-LLVKDONJSA-N 0 0 312.395 0.186 50 0 DCAARN CC(C)NC(=O)CN(C)Cn1nc(-c2ccccc2)oc1=O ZINC000040519993 183090379 /nfs/dbraw/zinc/09/03/79/183090379.db2.gz HKQDXFPSIWYJRN-UHFFFAOYSA-N 0 0 304.350 0.917 50 0 DCAARN CCNC(=O)CN(CC)C(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 ZINC000040521043 183090697 /nfs/dbraw/zinc/09/06/97/183090697.db2.gz XIBXBJKGRZMMAU-GFCCVEGCSA-N 0 0 312.414 0.365 50 0 DCAARN COc1cc(CNC(=O)Cc2c(C)nc(C)[nH]c2=O)ccc1O ZINC000040520820 183091008 /nfs/dbraw/zinc/09/10/08/183091008.db2.gz IPBMQPXVNUSDPD-UHFFFAOYSA-N 0 0 317.345 0.960 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H](C(=O)NCCc2cccnc2)C1 ZINC000040522364 183091728 /nfs/dbraw/zinc/09/17/28/183091728.db2.gz NQYJLTBUWBNGQD-CYBMUJFWSA-N 0 0 311.407 0.412 50 0 DCAARN C[C@@H](C(=O)NCc1ccc(Cn2cncn2)cc1)S(C)(=O)=O ZINC000040540289 183097033 /nfs/dbraw/zinc/09/70/33/183097033.db2.gz PMWKOJITHQOMOE-NSHDSACASA-N 0 0 322.390 0.376 50 0 DCAARN Cn1ccc(C(=O)NCCOc2ccc3c(c2)OCO3)cc1=O ZINC000040541367 183097902 /nfs/dbraw/zinc/09/79/02/183097902.db2.gz HSTHJAUKAOIWRK-UHFFFAOYSA-N 0 0 316.313 0.923 50 0 DCAARN CS(=O)(=O)c1ccc(C(=O)N2CCC(CC(N)=O)CC2)cc1 ZINC000040542668 183098455 /nfs/dbraw/zinc/09/84/55/183098455.db2.gz RQRRWFGFOLDSSH-UHFFFAOYSA-N 0 0 324.402 0.818 50 0 DCAARN CN(CC(N)=O)S(=O)(=O)c1ccc(Br)s1 ZINC000041564541 183202760 /nfs/dbraw/zinc/20/27/60/183202760.db2.gz JGHVVFJVGNMPCF-UHFFFAOYSA-N 0 0 313.198 0.616 50 0 DCAARN CC(C)(CNC(=O)Cn1nnc2ccccc21)N1CCOCC1 ZINC000041797129 183220904 /nfs/dbraw/zinc/22/09/04/183220904.db2.gz SMQUYVCEHFHOHB-UHFFFAOYSA-N 0 0 317.393 0.658 50 0 DCAARN CCCn1nc(C(=O)N2CCC[C@H]2C(=O)N(C)C)ccc1=O ZINC000042008983 183228810 /nfs/dbraw/zinc/22/88/10/183228810.db2.gz HULVFBQLQGNUAR-LBPRGKRZSA-N 0 0 306.366 0.346 50 0 DCAARN CCS(=O)(=O)N1CCC(NC(=O)[C@@H](C)OCC(C)C)CC1 ZINC000042467682 183273902 /nfs/dbraw/zinc/27/39/02/183273902.db2.gz PYXDTTCABUOVIZ-GFCCVEGCSA-N 0 0 320.455 0.978 50 0 DCAARN Cc1nn(C[C@@H](O)CN2CCOCC2)c(=O)c2ccccc12 ZINC000042755871 183305637 /nfs/dbraw/zinc/30/56/37/183305637.db2.gz ZFGTUUIAGSZCAR-ZDUSSCGKSA-N 0 0 303.362 0.398 50 0 DCAARN O=C(NCc1nnc2n1CCC2)[C@H]1Cc2ccccc2C(=O)O1 ZINC000042663645 183294795 /nfs/dbraw/zinc/29/47/95/183294795.db2.gz TZOJQSDATLJLOW-GFCCVEGCSA-N 0 0 312.329 0.622 50 0 DCAARN CCCn1c2ccccc2n(CC(=O)NCCCC(N)=O)c1=O ZINC000042925944 183318841 /nfs/dbraw/zinc/31/88/41/183318841.db2.gz KZOGROJILSBZDV-UHFFFAOYSA-N 0 0 318.377 0.595 50 0 DCAARN COC(=O)N1CCC(CNC(=O)C(=O)Nc2cc(C)on2)CC1 ZINC000043941796 183390529 /nfs/dbraw/zinc/39/05/29/183390529.db2.gz YPHWKNWQEFOGPL-UHFFFAOYSA-N 0 0 324.337 0.516 50 0 DCAARN Cn1ncc2c1CCC[C@H]2NC(=O)NCCNc1cnccn1 ZINC000044971228 183469052 /nfs/dbraw/zinc/46/90/52/183469052.db2.gz JTMJWAPUKJHCPI-GFCCVEGCSA-N 0 0 315.381 0.999 50 0 DCAARN O=C(NCCc1ccc2c(c1)OCCO2)[C@@H]1CCC(=O)NC1 ZINC000047707639 183603461 /nfs/dbraw/zinc/60/34/61/183603461.db2.gz XVPVCXFFEHMKII-GFCCVEGCSA-N 0 0 304.346 0.643 50 0 DCAARN O=C(NCc1nnc2n1CCC2)c1cnn(-c2ccccc2)n1 ZINC000048279598 183637652 /nfs/dbraw/zinc/63/76/52/183637652.db2.gz HMXMNTIPTAVBJQ-UHFFFAOYSA-N 0 0 309.333 0.735 50 0 DCAARN CC(=O)NCCNC(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000106728916 194246881 /nfs/dbraw/zinc/24/68/81/194246881.db2.gz ZUUMXRUJDJSIIZ-UHFFFAOYSA-N 0 0 309.341 0.528 50 0 DCAARN CC(C)c1cccc(O[C@H](C)C(=O)NC(C(N)=O)C(N)=O)c1 ZINC000051348743 183823873 /nfs/dbraw/zinc/82/38/73/183823873.db2.gz ZAIORBMKMPIPPF-SECBINFHSA-N 0 0 307.350 0.033 50 0 DCAARN CC(C)NC(=O)NC(=O)[C@H](C)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000052774038 183871423 /nfs/dbraw/zinc/87/14/23/183871423.db2.gz FQKUDENHALUURL-QMMMGPOBSA-N 0 0 305.338 0.891 50 0 DCAARN O=C(Cn1cnnn1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000052917913 183880058 /nfs/dbraw/zinc/88/00/58/183880058.db2.gz XQKFFYWZERCXLB-GFCCVEGCSA-N 0 0 315.333 0.808 50 0 DCAARN O=C(NCc1nc(C2CC2)no1)c1ccnc(-n2cncn2)c1 ZINC000054098927 183923660 /nfs/dbraw/zinc/92/36/60/183923660.db2.gz IHBPVYQWSZJNGU-UHFFFAOYSA-N 0 0 311.305 0.853 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 ZINC000053893298 183915351 /nfs/dbraw/zinc/91/53/51/183915351.db2.gz HOIBDMGSIYGWFT-BXKDBHETSA-N 0 0 319.386 0.823 50 0 DCAARN CN(C)S(=O)(=O)N[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000056635895 184016702 /nfs/dbraw/zinc/01/67/02/184016702.db2.gz HQYDCMLEZAMTLW-CYBMUJFWSA-N 0 0 311.407 0.746 50 0 DCAARN CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CCOC[C@@H]2C)cc1 ZINC000056650376 184017176 /nfs/dbraw/zinc/01/71/76/184017176.db2.gz UEHBNKWGGSRBHP-JECSTDCCSA-N 0 0 324.402 0.855 50 0 DCAARN O=C(COC1CCCC1)NCCn1nc2ccccn2c1=O ZINC000057240796 184030510 /nfs/dbraw/zinc/03/05/10/184030510.db2.gz ZQZYGSUMXPOPHY-UHFFFAOYSA-N 0 0 304.350 0.571 50 0 DCAARN CCN1C[C@@H](C(=O)NCCNC(=O)c2ccc(F)cc2)CC1=O ZINC000056989100 184023369 /nfs/dbraw/zinc/02/33/69/184023369.db2.gz QNSVMVLPYAZWTJ-LBPRGKRZSA-N 0 0 321.352 0.540 50 0 DCAARN C[C@@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1nncn1C ZINC000057004918 184024200 /nfs/dbraw/zinc/02/42/00/184024200.db2.gz PMNNVQSAFTVXML-JIMOISOXSA-N 0 0 301.350 0.834 50 0 DCAARN CNC(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000058162125 184082913 /nfs/dbraw/zinc/08/29/13/184082913.db2.gz CZCGLYNSBWGHSK-WCQYABFASA-N 0 0 305.378 0.903 50 0 DCAARN O=C(NCCCn1nc2ccccn2c1=O)NC[C@@H]1CCCO1 ZINC000058169142 184083650 /nfs/dbraw/zinc/08/36/50/184083650.db2.gz WDZIVVYEMVFXSB-LBPRGKRZSA-N 0 0 319.365 0.364 50 0 DCAARN CCc1ccc(S(=O)(=O)N(CCOC)CC(N)=O)cc1 ZINC000058191032 184085807 /nfs/dbraw/zinc/08/58/07/184085807.db2.gz PWXIEOKDGFZZGK-UHFFFAOYSA-N 0 0 300.380 0.371 50 0 DCAARN CCc1ccc(O)c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000058246191 184094189 /nfs/dbraw/zinc/09/41/89/184094189.db2.gz NEXSYRJEUCLLPN-UHFFFAOYSA-N 0 0 317.345 0.769 50 0 DCAARN O=C(Nc1ccc[nH]c1=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000058269098 184098108 /nfs/dbraw/zinc/09/81/08/184098108.db2.gz SHAFCVSADOPVJB-SNVBAGLBSA-N 0 0 301.302 0.955 50 0 DCAARN COc1ccc(CC(=O)N2CCN([C@H](C)C(N)=O)CC2)cc1 ZINC000058392335 184111583 /nfs/dbraw/zinc/11/15/83/184111583.db2.gz LSJYVNVEHPRFHD-GFCCVEGCSA-N 0 0 305.378 0.256 50 0 DCAARN CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1cc(C)cn1 ZINC000058332260 184106935 /nfs/dbraw/zinc/10/69/35/184106935.db2.gz MXGHWCRGZFEDPU-HNNXBMFYSA-N 0 0 312.373 0.891 50 0 DCAARN CNC(=O)NC(=O)CN1CCC(C(=O)NCc2ccco2)CC1 ZINC000058343746 184107020 /nfs/dbraw/zinc/10/70/20/184107020.db2.gz POHDOHQALNWTRD-UHFFFAOYSA-N 0 0 322.365 0.063 50 0 DCAARN CCNC(=O)CNC(=O)C(C)(C)c1ccc2c(c1)OCCO2 ZINC000058783728 184128611 /nfs/dbraw/zinc/12/86/11/184128611.db2.gz IANDOXCBQPRWKI-UHFFFAOYSA-N 0 0 306.362 0.988 50 0 DCAARN COC(=O)Nc1ccc(OCc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000059422710 184138340 /nfs/dbraw/zinc/13/83/40/184138340.db2.gz DZHBQZHFGMJKHH-UHFFFAOYSA-N 0 0 319.317 0.841 50 0 DCAARN Nc1nccnc1C(=O)NCCCNC(=O)c1ccccc1F ZINC000063327482 184280609 /nfs/dbraw/zinc/28/06/09/184280609.db2.gz SOGZSTJWDROCOZ-UHFFFAOYSA-N 0 0 317.324 0.748 50 0 DCAARN COCC(=O)N1CCc2c(c(-c3nc(C4CC4)no3)nn2C)C1 ZINC000064566302 184300200 /nfs/dbraw/zinc/30/02/00/184300200.db2.gz GBJFWYASEGNHEJ-UHFFFAOYSA-N 0 0 317.349 0.879 50 0 DCAARN O=C(NC1CC1)c1nc(CCS(=O)(=O)c2ccccc2)no1 ZINC000065117202 184310740 /nfs/dbraw/zinc/31/07/40/184310740.db2.gz HCCVEPZETNLZSO-UHFFFAOYSA-N 0 0 321.358 0.978 50 0 DCAARN CN(C)c1cc(O[C@@H]2CCN(S(=O)(=O)C3CC3)C2)ncn1 ZINC000065269367 184320413 /nfs/dbraw/zinc/32/04/13/184320413.db2.gz HIUHIBGXBPBBQU-SNVBAGLBSA-N 0 0 312.395 0.488 50 0 DCAARN COC(=O)[C@@H](CO)NCCC(=O)NC1CCCCCCC1 ZINC000065369839 184329207 /nfs/dbraw/zinc/32/92/07/184329207.db2.gz HUPITPNULAEPEO-CYBMUJFWSA-N 0 0 300.399 0.729 50 0 DCAARN CCCc1cc(N2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)nc(C)n1 ZINC000065370717 184329347 /nfs/dbraw/zinc/32/93/47/184329347.db2.gz HNTHQWKTCWFVAQ-HOTGVXAUSA-N 0 0 319.453 0.534 50 0 DCAARN Cn1ccnc1SCCNC(=O)c1cc2n(n1)CCN(C)C2 ZINC000065369942 184329466 /nfs/dbraw/zinc/32/94/66/184329466.db2.gz UWVAHVCXEXNFFD-UHFFFAOYSA-N 0 0 320.422 0.584 50 0 DCAARN CNC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O ZINC000065365436 184329535 /nfs/dbraw/zinc/32/95/35/184329535.db2.gz LVYRTVRXSMIVFL-UHFFFAOYSA-N 0 0 300.380 0.986 50 0 DCAARN COc1ccccc1CN1CC(=O)N2CC[C@@H](O)C[C@H]2C1=O ZINC000065370899 184329776 /nfs/dbraw/zinc/32/97/76/184329776.db2.gz BDUZWTFQMQPGHY-OLZOCXBDSA-N 0 0 304.346 0.389 50 0 DCAARN CCCN(CC(=O)N(C)C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000065430519 184343441 /nfs/dbraw/zinc/34/34/41/184343441.db2.gz ZNVZZCMPPNDMMM-UHFFFAOYSA-N 0 0 306.370 0.369 50 0 DCAARN Cc1ccc(-c2nnc(CN[C@H]3C=CS(=O)(=O)C3)o2)n1C ZINC000065434875 184344988 /nfs/dbraw/zinc/34/49/88/184344988.db2.gz YGPHKLJSGHQCGL-JTQLQIEISA-N 0 0 308.363 0.784 50 0 DCAARN CN(CC(=O)Nc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000065440051 184345271 /nfs/dbraw/zinc/34/52/71/184345271.db2.gz ZEDINILCFSDAHM-SNVBAGLBSA-N 0 0 317.798 0.792 50 0 DCAARN CN(C)c1ncnc2c1CN(Cc1nnnn1C1CC1)CC2 ZINC000065457380 184348090 /nfs/dbraw/zinc/34/80/90/184348090.db2.gz FZVLZTAMZSLLJK-UHFFFAOYSA-N 0 0 300.370 0.422 50 0 DCAARN O=C(NC[C@H]1COCCO1)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000065466926 184349932 /nfs/dbraw/zinc/34/99/32/184349932.db2.gz QTPOBFQECSGACL-QMMMGPOBSA-N 0 0 321.255 0.931 50 0 DCAARN C[C@@H]1CNC(=O)CCN1C(=O)CCNC(=O)c1ccc(F)cc1 ZINC000065493945 184354037 /nfs/dbraw/zinc/35/40/37/184354037.db2.gz BKOMNXQCAYXNAG-LLVKDONJSA-N 0 0 321.352 0.683 50 0 DCAARN Cc1csc([C@H]2CN(CCCN3C(=O)CNC3=O)CCO2)n1 ZINC000065531115 184360869 /nfs/dbraw/zinc/36/08/69/184360869.db2.gz ILIJWXLQEQQKFI-LLVKDONJSA-N 0 0 324.406 0.767 50 0 DCAARN CCOC1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000065552878 184364673 /nfs/dbraw/zinc/36/46/73/184364673.db2.gz QTAYTMXFFJIBHI-MRXNPFEDSA-N 0 0 323.393 0.734 50 0 DCAARN CCNC(=O)CNC(=O)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000065623053 184374980 /nfs/dbraw/zinc/37/49/80/184374980.db2.gz VSWYDKLRHWJYSB-SNVBAGLBSA-N 0 0 307.350 0.585 50 0 DCAARN NC(=O)[C@H](c1ccc(F)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000069418047 184513463 /nfs/dbraw/zinc/51/34/63/184513463.db2.gz QZKUPCCPCJJQFE-CABCVRRESA-N 0 0 318.352 0.950 50 0 DCAARN O=C1CNC(=O)N1CCN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000075609391 296338854 /nfs/dbraw/zinc/33/88/54/296338854.db2.gz UFCMTJMEKRPSRK-CYBMUJFWSA-N 0 0 307.325 0.751 50 0 DCAARN C[C@@H](NC(=O)CCn1cnnn1)c1nncn1C1CCCC1 ZINC000299786007 533068835 /nfs/dbraw/zinc/06/88/35/533068835.db2.gz PHHOXXLZAFSEJY-SNVBAGLBSA-N 0 0 304.358 0.647 50 0 DCAARN C[C@@H](O)CN(CC(=O)N[C@H]1CCCCNC1=O)c1ccccc1 ZINC000241121706 256603060 /nfs/dbraw/zinc/60/30/60/256603060.db2.gz JDIRGLYKHPZYDU-HIFRSBDPSA-N 0 0 319.405 0.659 50 0 DCAARN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(C)C[C@H]1C ZINC000089522516 257271644 /nfs/dbraw/zinc/27/16/44/257271644.db2.gz OUECFEWHLIYQSW-SECBINFHSA-N 0 0 317.397 0.028 50 0 DCAARN Cc1cnc(CNC(=O)N2CCN(c3ncccn3)CC2)cn1 ZINC000244384820 257242505 /nfs/dbraw/zinc/24/25/05/257242505.db2.gz YDFXEQJPWPPFHF-UHFFFAOYSA-N 0 0 313.365 0.607 50 0 DCAARN O=C(NCc1ccoc1)N1CCCO[C@H](CN2CCOCC2)C1 ZINC000426618336 257245345 /nfs/dbraw/zinc/24/53/45/257245345.db2.gz MVCLRFFQVFBRGR-OAHLLOKOSA-N 0 0 323.393 0.912 50 0 DCAARN COc1ncc(C(=O)NCc2nnnn2-c2ccccc2)cn1 ZINC000426535882 257246609 /nfs/dbraw/zinc/24/66/09/257246609.db2.gz NNPFKXISRVEJDF-UHFFFAOYSA-N 0 0 311.305 0.391 50 0 DCAARN CCC(=O)NCc1cc2n(n1)CCN(Cc1noc(C)n1)C2 ZINC000426538085 257246791 /nfs/dbraw/zinc/24/67/91/257246791.db2.gz LBVGJCVTDDFVBB-UHFFFAOYSA-N 0 0 304.354 0.617 50 0 DCAARN Cc1nc([C@@H]2CCCN(C(=O)CCc3nncn3C)C2)no1 ZINC000426526529 257247359 /nfs/dbraw/zinc/24/73/59/257247359.db2.gz WUQAFSZXGRZJKG-LLVKDONJSA-N 0 0 304.354 0.845 50 0 DCAARN CN1CC(=O)N(CC(=O)N2CC[C@H]2c2ccc(F)cc2)C1=O ZINC000426518467 257247752 /nfs/dbraw/zinc/24/77/52/257247752.db2.gz ZRDQDUSHRFZGFW-LBPRGKRZSA-N 0 0 305.309 0.993 50 0 DCAARN NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)NCC1CCOCC1 ZINC000426525902 257247975 /nfs/dbraw/zinc/24/79/75/257247975.db2.gz JYHAFBIDHWJZSY-AWEZNQCLSA-N 0 0 321.377 0.514 50 0 DCAARN COCc1nc(C)c(CNC(=O)CN2CCN(C)C2=O)s1 ZINC000426501919 257248149 /nfs/dbraw/zinc/24/81/49/257248149.db2.gz SVBNJEALDYEQLI-UHFFFAOYSA-N 0 0 312.395 0.582 50 0 DCAARN COc1c[nH]c(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)cc1=O ZINC000426471040 257249422 /nfs/dbraw/zinc/24/94/22/257249422.db2.gz ZQLJNCNKIDGMOX-STQMWFEESA-N 0 0 321.377 0.367 50 0 DCAARN COc1ncc(C(=O)NCCc2noc([C@H]3CCCO3)n2)cn1 ZINC000426472651 257249556 /nfs/dbraw/zinc/24/95/56/257249556.db2.gz FRWMAOISDAGAHK-SNVBAGLBSA-N 0 0 319.321 0.692 50 0 DCAARN Cc1cnn(CC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000426414217 257251780 /nfs/dbraw/zinc/25/17/80/257251780.db2.gz BYJJSESFXKHBCL-ZDUSSCGKSA-N 0 0 306.366 0.041 50 0 DCAARN CC(C)n1cnnc1CN(C)C(=O)[C@H](C)N1CCN(C)CC1 ZINC000426407698 257251885 /nfs/dbraw/zinc/25/18/85/257251885.db2.gz SXDYHUKUADZAPG-ZDUSSCGKSA-N 0 0 308.430 0.453 50 0 DCAARN Cc1ccc(C(=O)N2CCN(C3CCCC3)C(=O)C2)c(=O)n1C ZINC000426389496 257252088 /nfs/dbraw/zinc/25/20/88/257252088.db2.gz SIFYBNQIOBHZFZ-UHFFFAOYSA-N 0 0 317.389 0.921 50 0 DCAARN Cc1cc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c(=O)n(C)c1C ZINC000426377989 257252363 /nfs/dbraw/zinc/25/23/63/257252363.db2.gz MCGIKBKRLKVKIR-LLVKDONJSA-N 0 0 305.334 0.279 50 0 DCAARN O=C([O-])[C@@H]1C[C@H](NC(=O)c2cnc(-c3cccs3)nc2)C[NH2+]1 ZINC000426383116 257252368 /nfs/dbraw/zinc/25/23/68/257252368.db2.gz JTOQNPQWJYWYGN-UWVGGRQHSA-N 0 0 318.358 0.750 50 0 DCAARN CCS(=O)(=O)c1ccc(NCC(=O)N2CCOCC2)cc1 ZINC000011038513 257254005 /nfs/dbraw/zinc/25/40/05/257254005.db2.gz YOZWVVLQUMQVBP-UHFFFAOYSA-N 0 0 312.391 0.751 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@H]1N1CCOCC1 ZINC000257365936 257257177 /nfs/dbraw/zinc/25/71/77/257257177.db2.gz CPDDEVQMVJGBTP-SLBVQIDZSA-N 0 0 318.421 0.703 50 0 DCAARN CO[C@]12CCN(C(=O)c3cccn4cnnc34)[C@H]1C[C@H](O)CC2 ZINC000299767540 533383189 /nfs/dbraw/zinc/38/31/89/533383189.db2.gz HVWDMESNOKPTEB-PVXIVEMSSA-N 0 0 316.361 0.874 50 0 DCAARN Cc1cccc(OCCNC(=O)CN2C[C@H](F)C[C@H]2C(N)=O)c1 ZINC000285617713 131187443 /nfs/dbraw/zinc/18/74/43/131187443.db2.gz YUFRCYHOWJAWRC-OCCSQVGLSA-N 0 0 323.368 0.388 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)N2CCNC[C@H]2C)ccc1C ZINC000193355805 292003777 /nfs/dbraw/zinc/00/37/77/292003777.db2.gz PFKNTPXYIWPVSK-LLVKDONJSA-N 0 0 312.391 0.764 50 0 DCAARN O=C(CN1CCN(c2ccccn2)CC1)NCC(F)(F)F ZINC000005937246 134473807 /nfs/dbraw/zinc/47/38/07/134473807.db2.gz FMLAOXTWGMMFNC-UHFFFAOYSA-N 0 0 302.300 0.882 50 0 DCAARN O=C(Cn1ccccc1=O)Nc1ccc(N2CCOCC2)nc1 ZINC000025409032 134662546 /nfs/dbraw/zinc/66/25/46/134662546.db2.gz FDGUSRGOXSXAMT-UHFFFAOYSA-N 0 0 314.345 0.719 50 0 DCAARN CC(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccc(C)cc1 ZINC000008849817 395684977 /nfs/dbraw/zinc/68/49/77/395684977.db2.gz AMFSRASPJMRQIY-UHFFFAOYSA-N 0 0 300.318 0.454 50 0 DCAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NC1=NCCS1 ZINC000009315205 395685287 /nfs/dbraw/zinc/68/52/87/395685287.db2.gz NXESEPQUUASSNV-UHFFFAOYSA-N 0 0 324.406 0.850 50 0 DCAARN O=C(CCn1cnc2ccccc2c1=O)NN1CCOCC1 ZINC000009305529 395685314 /nfs/dbraw/zinc/68/53/14/395685314.db2.gz SHQSPNPBKCMQMW-UHFFFAOYSA-N 0 0 302.334 0.150 50 0 DCAARN CC[C@]1(C)NC(=O)N(NC(=O)c2ccc3c(c2)OCCO3)C1=O ZINC000009502338 395685443 /nfs/dbraw/zinc/68/54/43/395685443.db2.gz ZBKHPXSULGMUTN-HNNXBMFYSA-N 0 0 319.317 0.823 50 0 DCAARN C[C@H]1CCCN(C(=O)COC(=O)CNC(=O)c2ccco2)C1 ZINC000009514664 395685448 /nfs/dbraw/zinc/68/54/48/395685448.db2.gz CGKGHEILNTXVCF-NSHDSACASA-N 0 0 308.334 0.811 50 0 DCAARN COCCNC(=O)COC(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000009512594 395685453 /nfs/dbraw/zinc/68/54/53/395685453.db2.gz FCHDFMPRQQSXSK-UHFFFAOYSA-N 0 0 315.709 0.988 50 0 DCAARN CCNC(=O)COc1ccc(N(CC)S(C)(=O)=O)cc1 ZINC000010009945 395685795 /nfs/dbraw/zinc/68/57/95/395685795.db2.gz LHBJIZUNSVLTQM-UHFFFAOYSA-N 0 0 300.380 0.987 50 0 DCAARN C[C@@H]1CN(C(=O)COc2ccc(-n3cnnn3)cc2)CCO1 ZINC000010857838 395686295 /nfs/dbraw/zinc/68/62/95/395686295.db2.gz GMACRPZWZKSDNO-LLVKDONJSA-N 0 0 303.322 0.288 50 0 DCAARN C[C@H](NC(N)=O)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000011147590 395686336 /nfs/dbraw/zinc/68/63/36/395686336.db2.gz MQJNOKJJFSRWQE-NSHDSACASA-N 0 0 301.350 0.588 50 0 DCAARN CS(=O)(=O)Nc1ccc(NC(=O)c2ccc[nH]c2=O)cc1 ZINC000011363056 395686432 /nfs/dbraw/zinc/68/64/32/395686432.db2.gz FLJCVYIEMZKZMY-UHFFFAOYSA-N 0 0 307.331 0.999 50 0 DCAARN COc1cc(C(=O)N2CCNC(=O)[C@H]2C)cc(OC)c1OC ZINC000011694203 395686887 /nfs/dbraw/zinc/68/68/87/395686887.db2.gz HMKGVSKCSONNNG-SECBINFHSA-N 0 0 308.334 0.673 50 0 DCAARN COc1cn(CC(=O)NCc2ccc(F)cc2)c(CO)cc1=O ZINC000012230819 395687259 /nfs/dbraw/zinc/68/72/59/395687259.db2.gz CKHRRUPQQLGEHE-UHFFFAOYSA-N 0 0 320.320 0.805 50 0 DCAARN C[C@@H]1CN(CC(=O)NC(=O)NCCc2cccs2)CCO1 ZINC000012344040 395687323 /nfs/dbraw/zinc/68/73/23/395687323.db2.gz SNTVPYVIYUVZSI-LLVKDONJSA-N 0 0 311.407 0.837 50 0 DCAARN CNC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000012697134 395687840 /nfs/dbraw/zinc/68/78/40/395687840.db2.gz BVIRWLBIFAHQDL-UHFFFAOYSA-N 0 0 312.269 0.610 50 0 DCAARN COc1ccccc1[C@@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000012999939 395688329 /nfs/dbraw/zinc/68/83/29/395688329.db2.gz DBEPGDMHGJIUBF-SNVBAGLBSA-N 0 0 303.318 0.423 50 0 DCAARN CCn1c(CO)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000013136913 395688470 /nfs/dbraw/zinc/68/84/70/395688470.db2.gz PWQRNHVVLJDUNL-UHFFFAOYSA-N 0 0 300.318 0.447 50 0 DCAARN CN1CCN(C2=N[C@H](CC(=O)Nc3ccccc3)C(=O)N2)CC1 ZINC000013693026 395688775 /nfs/dbraw/zinc/68/87/75/395688775.db2.gz XRMWAEQEVILFBK-CYBMUJFWSA-N 0 0 315.377 0.117 50 0 DCAARN COC(=O)[C@@H](C)OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000014186228 395689313 /nfs/dbraw/zinc/68/93/13/395689313.db2.gz VNMNYQSBJZSUAO-RKDXNWHRSA-N 0 0 305.286 0.776 50 0 DCAARN Cc1ccc(CN2CCN3C(=O)[C@H](C)NC(=O)[C@H]3C2)cc1C ZINC000014743429 395689655 /nfs/dbraw/zinc/68/96/55/395689655.db2.gz ZVFMULGZCPAWJO-DZGCQCFKSA-N 0 0 301.390 0.835 50 0 DCAARN Cc1ccsc1CN(C)CCS(=O)(=O)CCC(N)=O ZINC000015311885 395689960 /nfs/dbraw/zinc/68/99/60/395689960.db2.gz AYKJXUWXPDEJHB-UHFFFAOYSA-N 0 0 304.437 0.779 50 0 DCAARN Cc1nnc(NC(=O)CN2CCN(c3ncccn3)CC2)s1 ZINC000020427264 395691256 /nfs/dbraw/zinc/69/12/56/395691256.db2.gz RUQNCZNPCCPTMN-UHFFFAOYSA-N 0 0 319.394 0.397 50 0 DCAARN Cc1nc(N2CCN(CCO)CC2)nc2c1C(=O)C[C@H](C)C2 ZINC000020591378 395691359 /nfs/dbraw/zinc/69/13/59/395691359.db2.gz RYBQITVLNRTVGL-LLVKDONJSA-N 0 0 304.394 0.664 50 0 DCAARN COc1ccc(C2CS(=O)(=O)CS(=O)(=O)C2)cc1OC ZINC000000053323 395679644 /nfs/dbraw/zinc/67/96/44/395679644.db2.gz XPDRSZOCPOWPBQ-UHFFFAOYSA-N 0 0 320.388 0.588 50 0 DCAARN CCN(CC)Cc1c(C(=O)OC(C)C)nnn1-c1nonc1N ZINC000000052358 395679745 /nfs/dbraw/zinc/67/97/45/395679745.db2.gz RNWZRRILQLWPJO-UHFFFAOYSA-N 0 0 323.357 0.640 50 0 DCAARN Cn1c(=O)c2ccccc2n(CC(=O)N2CCCCC2)c1=O ZINC000000107791 395679824 /nfs/dbraw/zinc/67/98/24/395679824.db2.gz MNBUBCRADXTMNI-UHFFFAOYSA-N 0 0 301.346 0.713 50 0 DCAARN COC(=O)c1nnn(CC(=O)Nc2cc(C)ccc2C)c1N ZINC000000248761 395680049 /nfs/dbraw/zinc/68/00/49/395680049.db2.gz YVSSKGQLKDBEBV-UHFFFAOYSA-N 0 0 303.322 0.902 50 0 DCAARN Cn1cc(S(=O)(=O)CC(=O)N2CCOCC2)c2ccccc21 ZINC000000201429 395680095 /nfs/dbraw/zinc/68/00/95/395680095.db2.gz OXAZXNUVNFBYOR-UHFFFAOYSA-N 0 0 322.386 0.811 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccn2)C1 ZINC000000220700 395680117 /nfs/dbraw/zinc/68/01/17/395680117.db2.gz BLOCOGRABFABBN-LBPRGKRZSA-N 0 0 311.407 0.760 50 0 DCAARN COc1ccccc1NC(=O)CSc1nnc(C)c(=O)n1N ZINC000000392205 395680366 /nfs/dbraw/zinc/68/03/66/395680366.db2.gz ZXEJLOGAYYZJEJ-UHFFFAOYSA-N 0 0 321.362 0.400 50 0 DCAARN NS(=O)(=O)c1ccc(NC(=S)N2CCOCC2)cc1 ZINC000000468064 395680461 /nfs/dbraw/zinc/68/04/61/395680461.db2.gz QQMHFJKFACNFDB-UHFFFAOYSA-N 0 0 301.393 0.363 50 0 DCAARN CCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOC ZINC000001814313 395681083 /nfs/dbraw/zinc/68/10/83/395681083.db2.gz WZMCIBKXDNWKBY-UHFFFAOYSA-N 0 0 312.395 0.962 50 0 biogenic DCAARN COc1cc2[nH]c(=O)n(C[C@H]3CCCO3)c(=O)c2cc1OC ZINC000002467887 395681531 /nfs/dbraw/zinc/68/15/31/395681531.db2.gz JFVALTCBEXDZPN-SECBINFHSA-N 0 0 306.318 0.886 50 0 biogenic DCAARN CCNS(=O)(=O)c1ccc(NC(=O)c2cnn(C)c2)cc1 ZINC000002763512 395681842 /nfs/dbraw/zinc/68/18/42/395681842.db2.gz ZCIZSNARXXPXHZ-UHFFFAOYSA-N 0 0 308.363 0.971 50 0 DCAARN CCn1cc(NC(=O)c2ccc3c(c2)OCO3)c(C(N)=O)n1 ZINC000002799886 395681933 /nfs/dbraw/zinc/68/19/33/395681933.db2.gz QVMKSMPIKITZRM-UHFFFAOYSA-N 0 0 302.290 0.983 50 0 DCAARN COCCCNC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O ZINC000002952186 395682077 /nfs/dbraw/zinc/68/20/77/395682077.db2.gz ONVHBCWKSQTKQR-UHFFFAOYSA-N 0 0 319.361 0.623 50 0 DCAARN COCCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000003036047 395682273 /nfs/dbraw/zinc/68/22/73/395682273.db2.gz FUOUOCAKHQQTLW-UHFFFAOYSA-N 0 0 314.407 0.816 50 0 DCAARN COC(=O)[C@H](NC=O)[C@@](O)(Cc1ccccc1)C(F)(F)F ZINC000003102124 395682328 /nfs/dbraw/zinc/68/23/28/395682328.db2.gz ABMFGIMJEWDYRN-JQWIXIFHSA-N 0 0 305.252 0.810 50 0 DCAARN COC[C@@H](C)NC(=O)CSc1nc2nc(C)cc(C)n2n1 ZINC000003397643 395682405 /nfs/dbraw/zinc/68/24/05/395682405.db2.gz GPRWVKJUMXJYAR-SECBINFHSA-N 0 0 309.395 0.984 50 0 DCAARN COc1ccccc1CNC(=O)COC(=O)C1=COCCO1 ZINC000003219324 395682428 /nfs/dbraw/zinc/68/24/28/395682428.db2.gz RGWODHGGWOGLNO-UHFFFAOYSA-N 0 0 307.302 0.743 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)NCCc2ccco2)cn1C ZINC000007007125 395683195 /nfs/dbraw/zinc/68/31/95/395683195.db2.gz UHHQJEAUDCXVME-UHFFFAOYSA-N 0 0 312.347 0.926 50 0 DCAARN C[C@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(N)=O ZINC000007977917 395683817 /nfs/dbraw/zinc/68/38/17/395683817.db2.gz IZTMDCRUUZRUTJ-YFKPBYRVSA-N 0 0 306.727 0.018 50 0 DCAARN C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C1CC1 ZINC000008155564 395684063 /nfs/dbraw/zinc/68/40/63/395684063.db2.gz RFHLQTSATKTCTF-VIFPVBQESA-N 0 0 308.359 0.746 50 0 DCAARN CCc1ccc(S(=O)(=O)N2CCN(C[C@H](C)O)CC2)s1 ZINC000085467179 395700802 /nfs/dbraw/zinc/70/08/02/395700802.db2.gz RTBYIBLUYITFJZ-NSHDSACASA-N 0 0 318.464 0.998 50 0 DCAARN CC[C@H]1CN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CCO1 ZINC000030855277 395704172 /nfs/dbraw/zinc/70/41/72/395704172.db2.gz PHUZYTJMLZGKJR-NSHDSACASA-N 0 0 311.382 0.734 50 0 DCAARN Cn1nc(C(=O)Nc2ccc(N3CCOCC3)cn2)ccc1=O ZINC000030976140 395705115 /nfs/dbraw/zinc/70/51/15/395705115.db2.gz IRCBSZVZMBVRRO-UHFFFAOYSA-N 0 0 315.333 0.264 50 0 DCAARN C[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@@H]1CCCO1 ZINC000031122525 395705373 /nfs/dbraw/zinc/70/53/73/395705373.db2.gz RTPOAHDGPXDURK-PWSUYJOCSA-N 0 0 319.427 0.277 50 0 DCAARN Cc1cc(C)n(CC(=O)N2CCN(c3ncccn3)CC2)n1 ZINC000031480979 395706744 /nfs/dbraw/zinc/70/67/44/395706744.db2.gz OQYCMHWTFXBJIT-UHFFFAOYSA-N 0 0 300.366 0.639 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc2ccccc2o1 ZINC000031649174 395707662 /nfs/dbraw/zinc/70/76/62/395707662.db2.gz MBIGDVMQIAJZKL-NSHDSACASA-N 0 0 316.313 0.937 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)c3cncnc3CC)CCO2)[nH]1 ZINC000089280399 395709374 /nfs/dbraw/zinc/70/93/74/395709374.db2.gz LDMDXDKUCREBEK-LBPRGKRZSA-N 0 0 316.365 0.933 50 0 DCAARN CC(=O)N1CCc2cc(C(=O)NCCNC(=O)C3CC3)ccc21 ZINC000032201894 395709624 /nfs/dbraw/zinc/70/96/24/395709624.db2.gz KRNFPJLZACJIDE-UHFFFAOYSA-N 0 0 315.373 0.852 50 0 DCAARN CN(C(=O)CN1CCCN(CC(=O)N(C)C2CC2)CC1)C1CC1 ZINC000089334649 395710153 /nfs/dbraw/zinc/71/01/53/395710153.db2.gz LXZHMZYNSMNWDD-UHFFFAOYSA-N 0 0 322.453 0.236 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)NCCc2cccnc2)c1 ZINC000032348214 395710287 /nfs/dbraw/zinc/71/02/87/395710287.db2.gz OJRJNCRJKBGPCN-UHFFFAOYSA-N 0 0 319.386 0.962 50 0 DCAARN C[C@H](C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)n1cccn1 ZINC000089420084 395711274 /nfs/dbraw/zinc/71/12/74/395711274.db2.gz COXKRJHUSVJLAN-VXGBXAGGSA-N 0 0 314.411 0.232 50 0 DCAARN Cc1nnc(SCc2nc(-c3ccoc3)no2)n(N)c1=O ZINC000089499464 395712356 /nfs/dbraw/zinc/71/23/56/395712356.db2.gz YIVFUWFTHUEWLE-UHFFFAOYSA-N 0 0 306.307 0.596 50 0 DCAARN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC(O)CC1 ZINC000032759376 395712634 /nfs/dbraw/zinc/71/26/34/395712634.db2.gz BOCVBMLAKOPDHI-LLVKDONJSA-N 0 0 303.362 0.817 50 0 DCAARN CC(=O)NCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000032771356 395713189 /nfs/dbraw/zinc/71/31/89/395713189.db2.gz DZJRSLCLMCYYMX-UHFFFAOYSA-N 0 0 313.379 0.450 50 0 DCAARN CCN(CCn1nc2ccccn2c1=O)CC(=O)NC(C)C ZINC000032803996 395713835 /nfs/dbraw/zinc/71/38/35/395713835.db2.gz GJVIHSQTDQFTOT-UHFFFAOYSA-N 0 0 305.382 0.343 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCO2)s1 ZINC000032865712 395714228 /nfs/dbraw/zinc/71/42/28/395714228.db2.gz MEKPNTOWVFIJGT-JTQLQIEISA-N 0 0 318.420 0.794 50 0 DCAARN Cc1ccnc2nc(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)nn21 ZINC000032909861 395714239 /nfs/dbraw/zinc/71/42/39/395714239.db2.gz HCHWFNZUZCPWGX-UHFFFAOYSA-N 0 0 322.284 0.569 50 0 DCAARN O=C(NC[C@@H]1CCCO1)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000089834802 395715710 /nfs/dbraw/zinc/71/57/10/395715710.db2.gz AINMJBHOHXMDNL-GJZGRUSLSA-N 0 0 318.373 0.709 50 0 DCAARN O=C(CNC(=O)NCC1CCCC1)NCCCn1ccnc1 ZINC000089884693 395715809 /nfs/dbraw/zinc/71/58/09/395715809.db2.gz ZWSRXLMHXIHZDW-UHFFFAOYSA-N 0 0 307.398 0.879 50 0 DCAARN O=C(NCCc1nnc2ccccn21)c1cc2c([nH]c1=O)CCC2 ZINC000089878861 395715834 /nfs/dbraw/zinc/71/58/34/395715834.db2.gz OYTDSMJURIWKID-UHFFFAOYSA-N 0 0 323.356 0.879 50 0 DCAARN O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCNC(=O)C1 ZINC000033019769 395716048 /nfs/dbraw/zinc/71/60/48/395716048.db2.gz NONFTVQQVATWGN-HWKANZROSA-N 0 0 302.330 0.820 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)N(C)Cc1nnc2n1CCC2 ZINC000089904342 395716394 /nfs/dbraw/zinc/71/63/94/395716394.db2.gz NLCCYRCPBKLTOR-LLVKDONJSA-N 0 0 303.370 0.651 50 0 DCAARN CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(C)C[C@@H]1C ZINC000089938906 395716903 /nfs/dbraw/zinc/71/69/03/395716903.db2.gz OPGKQUVANHPCDW-JSGCOSHPSA-N 0 0 304.394 0.819 50 0 DCAARN Cc1ccc(Cn2ccc(=O)n(CC(=O)NC(C)C)c2=O)cc1 ZINC000033330883 395717267 /nfs/dbraw/zinc/71/72/67/395717267.db2.gz JPWWYEJXNFYHEZ-UHFFFAOYSA-N 0 0 315.373 0.891 50 0 DCAARN C[C@@H]1CN(C)CCN1C(=O)c1csc(S(N)(=O)=O)c1 ZINC000089938414 395717279 /nfs/dbraw/zinc/71/72/79/395717279.db2.gz PQYLAJGDVCRIRM-MRVPVSSYSA-N 0 0 303.409 0.172 50 0 DCAARN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000035220079 395719848 /nfs/dbraw/zinc/71/98/48/395719848.db2.gz DWLYSGKIEPPDHN-GFCCVEGCSA-N 0 0 304.412 0.992 50 0 DCAARN Cc1cccc(N2CCN(CC(=O)N3CCNC3=O)CC2)c1C ZINC000035338831 395720150 /nfs/dbraw/zinc/72/01/50/395720150.db2.gz FTRRPEUYUDOPJO-UHFFFAOYSA-N 0 0 316.405 0.977 50 0 DCAARN CN1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1 ZINC000091028152 395720490 /nfs/dbraw/zinc/72/04/90/395720490.db2.gz OZHVCHIIICVRQR-UHFFFAOYSA-N 0 0 304.803 0.643 50 0 DCAARN CS(=O)(=O)N1CC[C@H](C(N)=O)Oc2ccc(Cl)cc21 ZINC000035511739 395720738 /nfs/dbraw/zinc/72/07/38/395720738.db2.gz OKZQEUAVWXYYKV-SNVBAGLBSA-N 0 0 304.755 0.742 50 0 DCAARN COC(=O)C1=C(N)C(=O)N(CCc2ccc(OC)c(OC)c2)C1 ZINC000035587942 395720849 /nfs/dbraw/zinc/72/08/49/395720849.db2.gz SHMSZXFZFGJMIP-UHFFFAOYSA-N 0 0 320.345 0.474 50 0 DCAARN O=C(CNC(=O)[C@@H]1Cc2ccccc2CN1)NC1CCCC1 ZINC000035485332 395720916 /nfs/dbraw/zinc/72/09/16/395720916.db2.gz BVCPVYIGHQGRRP-HNNXBMFYSA-N 0 0 301.390 0.876 50 0 DCAARN CCOC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000036079067 395721970 /nfs/dbraw/zinc/72/19/70/395721970.db2.gz AFWQQUHGKJVVDS-UHFFFAOYSA-N 0 0 312.347 0.728 50 0 DCAARN CCN(C)C(=O)c1nn(-c2cccc(C)c2)c(=O)n(CC)c1=O ZINC000036086941 395721988 /nfs/dbraw/zinc/72/19/88/395721988.db2.gz KRAGSADSAFWWEA-UHFFFAOYSA-N 0 0 316.361 0.814 50 0 DCAARN O=C(Cc1noc(C(=O)NCCCO)n1)NCc1ccccc1 ZINC000036353538 395723433 /nfs/dbraw/zinc/72/34/33/395723433.db2.gz SYTIHQRDHICXAQ-UHFFFAOYSA-N 0 0 318.333 0.041 50 0 DCAARN C[C@@H]1CN(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CCO1 ZINC000036424893 395723445 /nfs/dbraw/zinc/72/34/45/395723445.db2.gz MUVPEDJFAWOOPU-TZMCWYRMSA-N 0 0 303.362 0.828 50 0 DCAARN C[C@@H](NC(=O)N1CCN(c2cnccn2)CC1)[C@H]1CCCO1 ZINC000026397989 395694284 /nfs/dbraw/zinc/69/42/84/395694284.db2.gz AAGAWQJZNCNENB-CHWSQXEVSA-N 0 0 305.382 0.876 50 0 DCAARN Cc1nc2ccccc2c(=O)n1C[C@H](O)CN1CCOCC1 ZINC000028920520 395696338 /nfs/dbraw/zinc/69/63/38/395696338.db2.gz KBKRTEUREGNSIL-CYBMUJFWSA-N 0 0 303.362 0.398 50 0 DCAARN CN(C)c1ccc(C(=O)NCCNC(=O)c2ccco2)cn1 ZINC000028984648 395696653 /nfs/dbraw/zinc/69/66/53/395696653.db2.gz PZZMISMVXWYFOP-UHFFFAOYSA-N 0 0 302.334 0.900 50 0 DCAARN CS(=O)(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000029430270 395698138 /nfs/dbraw/zinc/69/81/38/395698138.db2.gz HCFPXLFRMVFPAX-UHFFFAOYSA-N 0 0 310.301 0.577 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCOc1ccc(F)cc1 ZINC000038488386 395731946 /nfs/dbraw/zinc/73/19/46/395731946.db2.gz WTZZSTQFACNFRH-UHFFFAOYSA-N 0 0 321.308 0.248 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCCc1ccccc1 ZINC000038488399 395732014 /nfs/dbraw/zinc/73/20/14/395732014.db2.gz UGLMSJIMXPEJJM-UHFFFAOYSA-N 0 0 301.346 0.663 50 0 DCAARN C[C@@]1(O)CCN(C(=O)CCc2cn3ccccc3n2)C[C@@H]1O ZINC000096162939 395746825 /nfs/dbraw/zinc/74/68/25/395746825.db2.gz COZALXJWGPJONN-XJKSGUPXSA-N 0 0 303.362 0.611 50 0 DCAARN CN1C(=O)CO[C@@H](C(=O)N2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000096181701 395747177 /nfs/dbraw/zinc/74/71/77/395747177.db2.gz HTBAQCSMBNAMKE-HUUCEWRRSA-N 0 0 322.336 0.583 50 0 DCAARN CNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C ZINC000096193167 395748408 /nfs/dbraw/zinc/74/84/08/395748408.db2.gz HWTDSJGPTKODKV-UHFFFAOYSA-N 0 0 300.380 0.807 50 0 DCAARN CS(=O)(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000096098219 395744430 /nfs/dbraw/zinc/74/44/30/395744430.db2.gz YVVGSQVRJAMRRB-UHFFFAOYSA-N 0 0 309.434 0.946 50 0 DCAARN Cc1cccc(CS(=O)(=O)NCCn2cncc(C)c2=O)c1 ZINC000096119211 395745571 /nfs/dbraw/zinc/74/55/71/395745571.db2.gz GZAZFYGLOHDJGK-UHFFFAOYSA-N 0 0 321.402 0.980 50 0 DCAARN COCC(=O)N1CCC(c2nc(CN3CCOCC3)no2)CC1 ZINC000096137825 395745638 /nfs/dbraw/zinc/74/56/38/395745638.db2.gz QRQCATJCVLNVPS-UHFFFAOYSA-N 0 0 324.381 0.254 50 0 DCAARN CS(=O)(=O)NCCNC(=O)c1ccc(-c2cc[nH]n2)cc1 ZINC000096131826 395745675 /nfs/dbraw/zinc/74/56/75/395745675.db2.gz JVXUHTKJMGGLQA-UHFFFAOYSA-N 0 0 308.363 0.356 50 0 DCAARN CN(C)C(=O)N1CCC(C(=O)N2CCc3[nH]cnc3C2)CC1 ZINC000096150783 395746215 /nfs/dbraw/zinc/74/62/15/395746215.db2.gz GCVHKGCWPPGKPA-UHFFFAOYSA-N 0 0 305.382 0.688 50 0 DCAARN CC(C)[C@@H](NC(=O)CNC(=O)/C=C\c1ccccc1)C(N)=O ZINC000096297407 395752315 /nfs/dbraw/zinc/75/23/15/395752315.db2.gz CHYXJCOJUMJVFA-WHLNPGIBSA-N 0 0 303.362 0.442 50 0 DCAARN CN(C)c1nccc(N2CCN(C(=O)c3ccccn3)CC2)n1 ZINC000096416565 395752838 /nfs/dbraw/zinc/75/28/38/395752838.db2.gz KRMUCCCBEPKWPR-UHFFFAOYSA-N 0 0 312.377 0.900 50 0 DCAARN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1ccn[nH]1 ZINC000096410223 395752846 /nfs/dbraw/zinc/75/28/46/395752846.db2.gz RPMVROJFYWMLMX-CYBMUJFWSA-N 0 0 314.393 0.745 50 0 DCAARN CC(C)N(CCS(C)(=O)=O)Cc1cc(=O)n2ccccc2n1 ZINC000096485418 395753732 /nfs/dbraw/zinc/75/37/32/395753732.db2.gz BSSMLYXLDRHDIW-UHFFFAOYSA-N 0 0 323.418 0.950 50 0 DCAARN NC(=O)c1cccnc1N1CCN(c2cncc(Cl)n2)CC1 ZINC000096453640 395753799 /nfs/dbraw/zinc/75/37/99/395753799.db2.gz GEPWYOYAYJBUOK-UHFFFAOYSA-N 0 0 318.768 0.951 50 0 DCAARN C[C@@H]1CN=C(N2CCN(c3ncnc4nc[nH]c43)CC2)S1 ZINC000096453748 395753819 /nfs/dbraw/zinc/75/38/19/395753819.db2.gz SEYAMANOUSYKEG-SECBINFHSA-N 0 0 303.395 0.966 50 0 DCAARN CCOc1cc(N2CCN(Cc3nnc(C)[nH]3)CC2)ncn1 ZINC000097163660 395755131 /nfs/dbraw/zinc/75/51/31/395755131.db2.gz WDNNJFDUFGWAOA-UHFFFAOYSA-N 0 0 303.370 0.624 50 0 DCAARN C[C@@H](Nc1ncnc2c1cnn2CCO)C(=O)N1CCCCC1 ZINC000097200346 395755471 /nfs/dbraw/zinc/75/54/71/395755471.db2.gz PVBXQKDZXDJVOU-LLVKDONJSA-N 0 0 318.381 0.632 50 0 DCAARN CN(CCCNC(=O)[C@H]1CCC(=O)NC(=O)N1)c1ccccc1 ZINC000097334229 395756926 /nfs/dbraw/zinc/75/69/26/395756926.db2.gz IXYYJPVECAADET-CYBMUJFWSA-N 0 0 318.377 0.617 50 0 DCAARN CC(C)=CC(=O)N1CCN(Cc2cnn(C)c2C)C[C@H](O)C1 ZINC000097394397 395757645 /nfs/dbraw/zinc/75/76/45/395757645.db2.gz YCMAUKNGPMIGMA-HNNXBMFYSA-N 0 0 306.410 0.700 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000042910391 395750307 /nfs/dbraw/zinc/75/03/07/395750307.db2.gz HBCJXRJZIZWSLD-CHWSQXEVSA-N 0 0 301.346 0.818 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000046889717 395781933 /nfs/dbraw/zinc/78/19/33/395781933.db2.gz JXDLAMNHFMUMKR-OCCSQVGLSA-N 0 0 317.389 0.949 50 0 DCAARN Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3C[N@@H+](C)C[C@H]3C)cc12 ZINC000107058921 395784616 /nfs/dbraw/zinc/78/46/16/395784616.db2.gz HFKPYLKSIKNOMF-NOZJJQNGSA-N 0 0 323.422 0.505 50 0 DCAARN Cn1cc(CCNC(=O)N2CCN(c3cnccn3)CC2)cn1 ZINC000046987951 395785248 /nfs/dbraw/zinc/78/52/48/395785248.db2.gz VMTICLIJYNGRBT-UHFFFAOYSA-N 0 0 315.381 0.284 50 0 DCAARN CCn1cnnc1CNC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000047020533 395786136 /nfs/dbraw/zinc/78/61/36/395786136.db2.gz OMBFQVAKQXUVEK-UHFFFAOYSA-N 0 0 308.363 0.632 50 0 DCAARN C[C@H](C(=O)NCCCn1nnc2ccccc21)N1CCCC1=O ZINC000097522083 395758830 /nfs/dbraw/zinc/75/88/30/395758830.db2.gz VRHCRAYEYHVBML-GFCCVEGCSA-N 0 0 315.377 0.949 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2)CC1 ZINC000044891054 395759338 /nfs/dbraw/zinc/75/93/38/395759338.db2.gz PCXKUGJQYGOLRX-CYBMUJFWSA-N 0 0 323.418 0.705 50 0 DCAARN O[C@@H](COCc1ccco1)CN1CCN(c2ncccn2)CC1 ZINC000044866862 395759406 /nfs/dbraw/zinc/75/94/06/395759406.db2.gz AIWYGMJQPQWPFT-CQSZACIVSA-N 0 0 318.377 0.769 50 0 DCAARN CNc1ccnc(N2CCN(C(=O)N3CCCC3)C[C@H](O)C2)n1 ZINC000097698700 395760287 /nfs/dbraw/zinc/76/02/87/395760287.db2.gz SHBSNJUYVIMGDD-GFCCVEGCSA-N 0 0 320.397 0.217 50 0 DCAARN O=C(C[C@@H]1NC(=O)c2ccccc21)NCC(=O)N1CCCC1 ZINC000097698939 395760367 /nfs/dbraw/zinc/76/03/67/395760367.db2.gz BAWWGTPHBMQHAX-ZDUSSCGKSA-N 0 0 301.346 0.600 50 0 DCAARN COc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)c1 ZINC000046142453 395771046 /nfs/dbraw/zinc/77/10/46/395771046.db2.gz IHEMAJIGJDSYBV-CYBMUJFWSA-N 0 0 317.389 0.822 50 0 DCAARN COC[C@H](C)NC(=O)NC(=O)CN1CCN(C)c2ccccc21 ZINC000111303094 395806645 /nfs/dbraw/zinc/80/66/45/395806645.db2.gz ZRSRUECZLQSUAY-LBPRGKRZSA-N 0 0 320.393 0.804 50 0 DCAARN CN(C)[C@@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccco1 ZINC000048261375 395811643 /nfs/dbraw/zinc/81/16/43/395811643.db2.gz HCRBONQYZXICIS-MNOVXSKESA-N 0 0 315.395 0.369 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)NC[C@H]1Cc2ccccc2O1 ZINC000048313589 395813468 /nfs/dbraw/zinc/81/34/68/395813468.db2.gz GVOKITPAHBEVKO-DGCLKSJQSA-N 0 0 324.402 0.724 50 0 DCAARN CN1CC2(CCN(C(=O)c3ncccc3O)CC2)OCC1=O ZINC000214957168 395836565 /nfs/dbraw/zinc/83/65/65/395836565.db2.gz YLKIJMBLGAMBCH-UHFFFAOYSA-N 0 0 305.334 0.251 50 0 DCAARN CS(=O)(=O)c1cccc(OCCN2CCOC[C@@H]2CO)c1 ZINC000225518378 395861471 /nfs/dbraw/zinc/86/14/71/395861471.db2.gz TYEWBFFYTPVPME-LBPRGKRZSA-N 0 0 315.391 0.162 50 0 DCAARN Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1nnc[nH]1 ZINC000219661180 395846153 /nfs/dbraw/zinc/84/61/53/395846153.db2.gz AEICNGQGIBIGOT-VXGBXAGGSA-N 0 0 321.337 0.514 50 0 DCAARN Cc1cc(=O)[nH]c(CCNC(=O)CN(C)Cc2cccnc2)n1 ZINC000219740717 395846246 /nfs/dbraw/zinc/84/62/46/395846246.db2.gz FQNRDGIESRBZCG-UHFFFAOYSA-N 0 0 315.377 0.264 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1cn[nH]n1 ZINC000219959731 395847180 /nfs/dbraw/zinc/84/71/80/395847180.db2.gz ONXXSPYWEXZXOE-TZMCWYRMSA-N 0 0 302.334 0.909 50 0 DCAARN CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCCn1ccnc1 ZINC000220336183 395847972 /nfs/dbraw/zinc/84/79/72/395847972.db2.gz QZBPGDVVRBSPCO-FAAHXZRKSA-N 0 0 306.366 0.072 50 0 DCAARN CC(C)CN1CCN(C(=O)c2[nH]nc(N)c2Cl)[C@H](C)C1=O ZINC000220067411 395848067 /nfs/dbraw/zinc/84/80/67/395848067.db2.gz QPQAYWXFGRZWEG-MRVPVSSYSA-N 0 0 313.789 0.974 50 0 DCAARN CCCOCCN1CCn2nc([C@@H](O)c3nccn3C)cc2C1 ZINC000220715835 395849417 /nfs/dbraw/zinc/84/94/17/395849417.db2.gz USRRUFZXOWMPTQ-OAHLLOKOSA-N 0 0 319.409 0.941 50 0 DCAARN COC(=O)N1CCCC[C@@H]1C(=O)NCc1cnn2cccnc12 ZINC000221309530 395850358 /nfs/dbraw/zinc/85/03/58/395850358.db2.gz OKQNMTQMWSKMKS-GFCCVEGCSA-N 0 0 317.349 0.966 50 0 DCAARN Cc1cc(=O)[nH]c(CCNC(=O)COC[C@@H]2CCCCO2)n1 ZINC000221320827 395850459 /nfs/dbraw/zinc/85/04/59/395850459.db2.gz NRIBCUHJGJTBJG-LBPRGKRZSA-N 0 0 309.366 0.323 50 0 DCAARN CN1C[C@H](C(=O)N2CCC[C@H](Oc3cnccn3)C2)CC1=O ZINC000225475408 395860987 /nfs/dbraw/zinc/86/09/87/395860987.db2.gz VEASELGWAUQJGP-NEPJUHHUSA-N 0 0 304.350 0.325 50 0 DCAARN CC[C@H](NS(=O)(=O)c1cccc2nn(C)nc21)C1CC(O)C1 ZINC000223294542 395854713 /nfs/dbraw/zinc/85/47/13/395854713.db2.gz OYHFHBCUGZHUPX-ILDUYXDCSA-N 0 0 324.406 0.796 50 0 DCAARN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCCC(=O)N(C)C ZINC000223291943 395855096 /nfs/dbraw/zinc/85/50/96/395855096.db2.gz QWFVCGGBTJCDPR-JTQLQIEISA-N 0 0 308.334 0.777 50 0 DCAARN COC(=O)CCCN(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000051768905 395855364 /nfs/dbraw/zinc/85/53/64/395855364.db2.gz WUYYZFJVQRQFKG-QWRGUYRKSA-N 0 0 308.400 0.225 50 0 DCAARN O=C1c2ccccc2S(=O)(=O)N1CCCN1CCOCC1 ZINC000047880081 395802264 /nfs/dbraw/zinc/80/22/64/395802264.db2.gz RSLJZINLNWGOCD-UHFFFAOYSA-N 0 0 310.375 0.553 50 0 DCAARN CCOC(=O)NCCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000054016636 395892099 /nfs/dbraw/zinc/89/20/99/395892099.db2.gz UQSMKUOVHWCCNA-GFCCVEGCSA-N 0 0 321.381 0.698 50 0 DCAARN CCOC(=O)N[C@@H]1CCCN(Cn2nc3ccccn3c2=O)C1 ZINC000054518283 395901982 /nfs/dbraw/zinc/90/19/82/395901982.db2.gz PKCFXUACNNHBJC-GFCCVEGCSA-N 0 0 319.365 0.664 50 0 DCAARN NC(=O)CN1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000054977830 395908440 /nfs/dbraw/zinc/90/84/40/395908440.db2.gz LIAVJYFKSOINMB-UHFFFAOYSA-N 0 0 307.379 0.401 50 0 DCAARN CCN(C(=O)CSc1nnc(C)s1)[C@H]1COC[C@@H]1O ZINC000055089806 395910436 /nfs/dbraw/zinc/91/04/36/395910436.db2.gz BVFJNUVLURRXLY-IUCAKERBSA-N 0 0 303.409 0.547 50 0 DCAARN O=C(NC[C@H]1COCCO1)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000055846879 395922524 /nfs/dbraw/zinc/92/25/24/395922524.db2.gz BLYUKWUYCWZASA-JSGCOSHPSA-N 0 0 308.309 0.850 50 0 DCAARN C[C@@H](NC(=O)CCn1cncn1)c1nc(-c2ccncc2)no1 ZINC000244872827 395926315 /nfs/dbraw/zinc/92/63/15/395926315.db2.gz WFCKQJQEWNTPKI-SNVBAGLBSA-N 0 0 313.321 0.991 50 0 DCAARN NC(=O)C1CCN(C(=O)c2ccc(O[C@@H]3CCOC3)nc2)CC1 ZINC000225707117 395862915 /nfs/dbraw/zinc/86/29/15/395862915.db2.gz DKBYWNFZGFPGPP-CYBMUJFWSA-N 0 0 319.361 0.587 50 0 DCAARN O=C(c1ccc[n+]([O-])c1)N1CCc2nc3ccccn3c(=O)c2C1 ZINC000225777494 395862955 /nfs/dbraw/zinc/86/29/55/395862955.db2.gz OOILNXVYHARYLF-UHFFFAOYSA-N 0 0 322.324 0.526 50 0 DCAARN CCc1cc(N2CCC(N3CCNC3=O)CC2)n2ncnc2n1 ZINC000052486967 395864267 /nfs/dbraw/zinc/86/42/67/395864267.db2.gz XMHDADGHWUVLAV-UHFFFAOYSA-N 0 0 315.381 0.681 50 0 DCAARN Cc1ccc(C(=O)N2CCN([C@@H]3COC[C@H]3O)CC2)cc1F ZINC000225846812 395864439 /nfs/dbraw/zinc/86/44/39/395864439.db2.gz ZGYZFDWFRHLCAP-HUUCEWRRSA-N 0 0 308.353 0.652 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000052602132 395866124 /nfs/dbraw/zinc/86/61/24/395866124.db2.gz VXJWIQYGBAOAPZ-NSHDSACASA-N 0 0 308.363 0.347 50 0 DCAARN O=C(N[C@H]1C[C@H](CO)[C@@H](O)C1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000227607432 395869311 /nfs/dbraw/zinc/86/93/11/395869311.db2.gz OOKPCJYMMATMRP-CXTNEJHOSA-N 0 0 318.373 0.288 50 0 DCAARN O[C@@H](CN1CCO[C@@H](Cn2cncn2)C1)c1ccccc1F ZINC000229498815 395874988 /nfs/dbraw/zinc/87/49/88/395874988.db2.gz IHULNDNOFACIOP-DOMZBBRYSA-N 0 0 306.341 0.852 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN([C@@H](C(N)=O)c2ccccc2)C1 ZINC000229620334 395875832 /nfs/dbraw/zinc/87/58/32/395875832.db2.gz ILDKEEVBDRSINW-CHWSQXEVSA-N 0 0 311.407 0.227 50 0 DCAARN CC[C@H](C)[C@H](CO)NC(=O)CCc1c(C)nc2[nH]cnn2c1=O ZINC000230275129 395879985 /nfs/dbraw/zinc/87/99/85/395879985.db2.gz JWTSTCHMGGLVRT-CABZTGNLSA-N 0 0 321.381 0.182 50 0 DCAARN C[C@@H](NC(=O)COc1ccc(N2CCCC2=O)cc1)C(N)=O ZINC000053331328 395881027 /nfs/dbraw/zinc/88/10/27/395881027.db2.gz SYIVLQINLWIDMV-SNVBAGLBSA-N 0 0 305.334 0.182 50 0 DCAARN Cc1cc(C(=O)NCCN2CCN(c3ncccn3)CC2)[nH]n1 ZINC000057063167 395938371 /nfs/dbraw/zinc/93/83/71/395938371.db2.gz MGOJYPMVFXHCEN-UHFFFAOYSA-N 0 0 315.381 0.060 50 0 DCAARN CN1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000058341856 395953132 /nfs/dbraw/zinc/95/31/32/395953132.db2.gz YVDKIVSJRIBDFL-HIFRSBDPSA-N 0 0 317.389 0.486 50 0 DCAARN Cc1cnn(CC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC000058877074 395956844 /nfs/dbraw/zinc/95/68/44/395956844.db2.gz KTZSTEHOVVFMND-UHFFFAOYSA-N 0 0 314.411 0.074 50 0 DCAARN Cn1nccc1C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000063502417 395978639 /nfs/dbraw/zinc/97/86/39/395978639.db2.gz SQWIFJUVAOXLAZ-UHFFFAOYSA-N 0 0 313.405 0.972 50 0 DCAARN CC(C)OCC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000063692089 395980380 /nfs/dbraw/zinc/98/03/80/395980380.db2.gz YFNWSJBBEFQDSS-UHFFFAOYSA-N 0 0 311.382 0.782 50 0 DCAARN COCCNC(=O)N[C@H]1CCN(Cc2ccc(OC)nc2)C1 ZINC000065267402 395991449 /nfs/dbraw/zinc/99/14/49/395991449.db2.gz USQBGZNGWMTUGQ-ZDUSSCGKSA-N 0 0 308.382 0.610 50 0 DCAARN COc1ccc(CN2CC[C@@H](NS(=O)(=O)N(C)C)C2)cn1 ZINC000065267422 395991460 /nfs/dbraw/zinc/99/14/60/395991460.db2.gz LCJPYCYJBJQDAL-GFCCVEGCSA-N 0 0 314.411 0.061 50 0 DCAARN COc1ccnc(N2CCN(C(=O)C[C@H]3CCCO3)CC2)n1 ZINC000065494418 395994505 /nfs/dbraw/zinc/99/45/05/395994505.db2.gz IAPXRHOUQNZXDG-GFCCVEGCSA-N 0 0 306.366 0.703 50 0 DCAARN O=C(Nc1cccnc1N1CCOCC1)c1ccc(=O)[nH]c1 ZINC000065825408 395997395 /nfs/dbraw/zinc/99/73/95/395997395.db2.gz BVZAQZIIKDTMLD-UHFFFAOYSA-N 0 0 300.318 0.859 50 0 DCAARN O=S(=O)(c1cnn([C@H]2CCOC2)c1)N1CCCC[C@H]1CO ZINC000252511686 396022207 /nfs/dbraw/zinc/02/22/07/396022207.db2.gz JRMQEMWOOWXSDX-RYUDHWBXSA-N 0 0 315.395 0.380 50 0 DCAARN CC[C@H](C)[C@@H](CO)NC(=O)CCc1c(C)nc2[nH]cnn2c1=O ZINC000252538771 396023341 /nfs/dbraw/zinc/02/33/41/396023341.db2.gz NHOTUDZRAPVMNX-JOYOIKCWSA-N 0 0 321.381 0.594 50 0 DCAARN CNC(=O)c1noc([C@@H]2CC(F)(F)CN2C(=O)CCOC)n1 ZINC000253396284 396027137 /nfs/dbraw/zinc/02/71/37/396027137.db2.gz AYMRKBSEDDQGNU-ZETCQYMHSA-N 0 0 318.280 0.374 50 0 DCAARN Cc1noc(-c2ccnc(N3CC[N@@H+](C)[C@H](C(=O)[O-])C3)c2)n1 ZINC000067491210 396027134 /nfs/dbraw/zinc/02/71/34/396027134.db2.gz VEDGVGFBVBKYMS-NSHDSACASA-N 0 0 303.322 0.645 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)CCc2c(C)noc2C)C[C@H]1COC ZINC000253414582 396028156 /nfs/dbraw/zinc/02/81/56/396028156.db2.gz XWSDLCHNVOIKJF-GXTWGEPZSA-N 0 0 323.393 0.691 50 0 DCAARN CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccsc1 ZINC000253471102 396028460 /nfs/dbraw/zinc/02/84/60/396028460.db2.gz LNXPRJNCQQCCOP-SECBINFHSA-N 0 0 323.374 0.877 50 0 DCAARN OCCn1ncc2c1CN(c1ncc(F)c(N3CCCC3)n1)C2 ZINC000067654749 396030197 /nfs/dbraw/zinc/03/01/97/396030197.db2.gz LBUCZCUWPPFXEG-UHFFFAOYSA-N 0 0 318.356 0.925 50 0 DCAARN Cc1cc(=O)n(CCN(C)Cc2nncn2C(C)C)c(=O)[nH]1 ZINC000253537196 396030201 /nfs/dbraw/zinc/03/02/01/396030201.db2.gz BDOSENUKDQDVMS-UHFFFAOYSA-N 0 0 306.370 0.562 50 0 DCAARN Nc1nc(=O)cc(N2CCN(Cc3nnc(C4CC4)o3)CC2)[nH]1 ZINC000253536778 396030530 /nfs/dbraw/zinc/03/05/30/396030530.db2.gz OIFHUORFJZDXKI-UHFFFAOYSA-N 0 0 317.353 0.347 50 0 DCAARN O=C1NC[C@@H]2CN(C/C=C\c3ccc(F)cc3)CCN2C1=O ZINC000255362226 396032978 /nfs/dbraw/zinc/03/29/78/396032978.db2.gz OGIVKALTSATZGT-DDGIKZQJSA-N 0 0 303.337 0.482 50 0 DCAARN CNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1cc[nH]n1 ZINC000257182893 396034459 /nfs/dbraw/zinc/03/44/59/396034459.db2.gz GYMDXGKXQGYGOQ-JSGCOSHPSA-N 0 0 314.345 0.818 50 0 DCAARN COc1ccc(C(=O)N2C[C@@H](CO)[C@H](NC(C)=O)C2)c(C)c1 ZINC000257190244 396034900 /nfs/dbraw/zinc/03/49/00/396034900.db2.gz LPUZULJQRLSNAM-SWLSCSKDSA-N 0 0 306.362 0.573 50 0 DCAARN [NH3+][C@@H]1CCN(c2ccc(=O)n(CCOc3ccccc3)n2)C1 ZINC000257195078 396035890 /nfs/dbraw/zinc/03/58/90/396035890.db2.gz VIIKXZYGQHOMHW-CYBMUJFWSA-N 0 0 300.362 0.860 50 0 DCAARN Cc1cc(C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)[nH]n1 ZINC000067845933 396036156 /nfs/dbraw/zinc/03/61/56/396036156.db2.gz ZBMJXFVAMGIGJU-JTQLQIEISA-N 0 0 319.317 0.617 50 0 DCAARN Cn1nc([C@@H]2CCCN(C(=O)CO)C2)n(-c2ccccc2)c1=O ZINC000067974146 396041237 /nfs/dbraw/zinc/04/12/37/396041237.db2.gz VFQSVIDGOMPJCA-GFCCVEGCSA-N 0 0 316.361 0.269 50 0 DCAARN COCCn1cnnc1S(=O)(=O)CCOCCC(C)C ZINC000068142668 396048155 /nfs/dbraw/zinc/04/81/55/396048155.db2.gz GYYPCAKPHDDCKL-UHFFFAOYSA-N 0 0 305.400 0.761 50 0 DCAARN CCC1=NO[C@H](CN2CCN(c3ccnc4nncn43)CC2)C1 ZINC000252483992 396020631 /nfs/dbraw/zinc/02/06/31/396020631.db2.gz FLSHNNJJYJCDFT-ZDUSSCGKSA-N 0 0 315.381 0.801 50 0 DCAARN Cc1n[nH]cc1CN(C)CC(=O)Nc1ccc(C(N)=O)cc1 ZINC000252493154 396020990 /nfs/dbraw/zinc/02/09/90/396020990.db2.gz NALUSSQVACTLRH-UHFFFAOYSA-N 0 0 301.350 0.888 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCN(C(=O)CC2Cc3ccccc3C2)C1 ZINC000252490586 396021165 /nfs/dbraw/zinc/02/11/65/396021165.db2.gz KXHHLZQKMFKIFI-GFCCVEGCSA-N 0 0 322.430 0.929 50 0 DCAARN O=C(NCCCNS(=O)(=O)N1CCCC1)c1ccccc1 ZINC000069705920 396087972 /nfs/dbraw/zinc/08/79/72/396087972.db2.gz BQQCVUQGDVEITG-UHFFFAOYSA-N 0 0 311.407 0.737 50 0 DCAARN COCC(=O)N1CCC(Oc2ncccc2C(=O)N(C)C)CC1 ZINC000169750063 396091145 /nfs/dbraw/zinc/09/11/45/396091145.db2.gz MZINDDKRJPLLAZ-UHFFFAOYSA-N 0 0 321.377 0.800 50 0 DCAARN O=C(Cn1nc2n(c1=O)CCCC2)Nc1ccc2c(c1)OCO2 ZINC000169754558 396091193 /nfs/dbraw/zinc/09/11/93/396091193.db2.gz PODATDXJTRVHES-UHFFFAOYSA-N 0 0 316.317 0.749 50 0 DCAARN CNC(=O)N1CCC([C@@H]2CCN(C(=O)c3cc[nH]n3)C2)CC1 ZINC000169752305 396091215 /nfs/dbraw/zinc/09/12/15/396091215.db2.gz XEFMYGGUYOCOOB-GFCCVEGCSA-N 0 0 305.382 0.923 50 0 DCAARN O=C(NC[C@@H]1CCCCC(=O)N1)c1n[nH]c(=O)c2ccccc21 ZINC000169785169 396092764 /nfs/dbraw/zinc/09/27/64/396092764.db2.gz JYMMWGHTVATFII-JTQLQIEISA-N 0 0 314.345 0.712 50 0 DCAARN CCN(CCNS(C)(=O)=O)Cc1cccc2c1OCO2 ZINC000069872468 396092953 /nfs/dbraw/zinc/09/29/53/396092953.db2.gz QKUOWXXIOXQRFY-UHFFFAOYSA-N 0 0 300.380 0.786 50 0 DCAARN CCc1ncc2c(n1)CN(C[C@H](O)CN1CCOCC1)CC2 ZINC000069878146 396093494 /nfs/dbraw/zinc/09/34/94/396093494.db2.gz JYRYWEQYSJCFTB-CQSZACIVSA-N 0 0 306.410 0.090 50 0 DCAARN CN(C)c1ccnc(C(=O)N[C@@H](CO)Cc2ccccn2)c1 ZINC000170614279 396095954 /nfs/dbraw/zinc/09/59/54/396095954.db2.gz OGXPQXRIDZGRPE-CYBMUJFWSA-N 0 0 300.362 0.876 50 0 DCAARN Cc1nc(S(=O)(=O)NC[C@@H](C)N2CCCCC2=O)cn1C ZINC000170619811 396096330 /nfs/dbraw/zinc/09/63/30/396096330.db2.gz VSAKEFNFRCSYHH-SNVBAGLBSA-N 0 0 314.411 0.408 50 0 DCAARN Cc1cn2nc(N3CCO[C@H](Cn4cncn4)C3)sc2n1 ZINC000069949297 396096650 /nfs/dbraw/zinc/09/66/50/396096650.db2.gz XNVYFYBQWMGRHR-JTQLQIEISA-N 0 0 305.367 0.596 50 0 DCAARN O=c1cccnn1CCNS(=O)(=O)CCOc1ccccc1 ZINC000070637776 396102841 /nfs/dbraw/zinc/10/28/41/396102841.db2.gz DDYACTOYYHEADI-UHFFFAOYSA-N 0 0 323.374 0.242 50 0 DCAARN Cc1cc(C)n(CCNC(=O)c2ccc(-n3cccn3)nn2)n1 ZINC000070641252 396102950 /nfs/dbraw/zinc/10/29/50/396102950.db2.gz CJDPLKXJUQAHBK-UHFFFAOYSA-N 0 0 311.349 0.906 50 0 DCAARN Cc1cc(C(=O)NCc2ccccn2)nc(N2CCOCC2)n1 ZINC000071195506 396110807 /nfs/dbraw/zinc/11/08/07/396110807.db2.gz OXUYCUWTLBKCAB-UHFFFAOYSA-N 0 0 313.361 0.947 50 0 DCAARN O=C([O-])[C@H]1CN(C(=O)c2ccccc2N2CCOCC2)CC[NH2+]1 ZINC000071388731 396113499 /nfs/dbraw/zinc/11/34/99/396113499.db2.gz TZDHZSJKJYJUDK-CYBMUJFWSA-N 0 0 319.361 0.022 50 0 DCAARN CCCc1nnc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)o1 ZINC000071589437 396114714 /nfs/dbraw/zinc/11/47/14/396114714.db2.gz BRCPTHKUBGAZLL-LBPRGKRZSA-N 0 0 308.382 0.959 50 0 DCAARN C[C@@H]1CN(C[C@H](O)Cn2nc(-c3ccco3)oc2=O)C[C@@H](C)O1 ZINC000071825103 396117241 /nfs/dbraw/zinc/11/72/41/396117241.db2.gz BZICFCPHWAXTFG-UTUOFQBUSA-N 0 0 323.349 0.566 50 0 DCAARN O=C([C@H]1CCCN(c2ncccn2)C1)N1CCN(C2CC2)CC1 ZINC000071836683 396117691 /nfs/dbraw/zinc/11/76/91/396117691.db2.gz ZLCDFOVRCFPJSI-AWEZNQCLSA-N 0 0 315.421 1.000 50 0 DCAARN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCNC(=O)CC1 ZINC000071839481 396117993 /nfs/dbraw/zinc/11/79/93/396117993.db2.gz RCWSLBAUGADEMM-UHFFFAOYSA-N 0 0 301.350 0.617 50 0 DCAARN C[C@@H](COCC(F)(F)F)NC(=O)N1CCC(C(N)=O)CC1 ZINC000071837294 396118086 /nfs/dbraw/zinc/11/80/86/396118086.db2.gz ILYUZAXLJJPXQP-QMMMGPOBSA-N 0 0 311.304 0.861 50 0 DCAARN CN(CC(=O)NCC1(C(N)=O)CCOCC1)Cc1ccccc1 ZINC000071841370 396118694 /nfs/dbraw/zinc/11/86/94/396118694.db2.gz FTKYKMVQKXTPAE-UHFFFAOYSA-N 0 0 319.405 0.517 50 0 DCAARN CCN1CCN(C(=O)[C@H](C)N2CCc3cncnc3C2)CC1 ZINC000071859661 396119530 /nfs/dbraw/zinc/11/95/30/396119530.db2.gz XXZMGKMFSADUFL-ZDUSSCGKSA-N 0 0 303.410 0.387 50 0 DCAARN CC(C)(C)CN(CCCO)C(=O)NCCN1CCOCC1 ZINC000071882510 396122431 /nfs/dbraw/zinc/12/24/31/396122431.db2.gz HCDIFIHDHBFNTI-UHFFFAOYSA-N 0 0 301.431 0.759 50 0 DCAARN CN(CC(F)(F)F)C(=O)CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000071915606 396125714 /nfs/dbraw/zinc/12/57/14/396125714.db2.gz NHCSVCSTBDADCI-LBPRGKRZSA-N 0 0 323.359 0.804 50 0 DCAARN CCN1N=C(C(=O)N[C@@H]2CCc3nc(C)cn3C2)CCC1=O ZINC000072271427 396129096 /nfs/dbraw/zinc/12/90/96/396129096.db2.gz IVTJFRKSJFMXDB-LLVKDONJSA-N 0 0 303.366 0.621 50 0 DCAARN Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](n3cncn3)C2)cn1 ZINC000072272132 396129171 /nfs/dbraw/zinc/12/91/71/396129171.db2.gz XOOVLCUJNVYJQS-IHRRRGAJSA-N 0 0 300.366 0.979 50 0 DCAARN CCOC(=O)[C@H](C)OC(=O)Cn1c(=O)cnc2ccccc21 ZINC000072305090 396130660 /nfs/dbraw/zinc/13/06/60/396130660.db2.gz JMTWKSWPMLZUOS-JTQLQIEISA-N 0 0 304.302 0.891 50 0 DCAARN Cc1cc(NC(=O)CN2CCN(Cc3nccn3C)CC2)no1 ZINC000069371446 396076341 /nfs/dbraw/zinc/07/63/41/396076341.db2.gz RFHNKZFPJULKRE-UHFFFAOYSA-N 0 0 318.381 0.473 50 0 DCAARN Nc1nc(Cn2c(=O)onc2-c2cnccn2)nc2ccccc12 ZINC000069385140 396076820 /nfs/dbraw/zinc/07/68/20/396076820.db2.gz SDPOMQNSOBPSIM-UHFFFAOYSA-N 0 0 321.300 0.867 50 0 DCAARN Cc1cc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)on1 ZINC000069392786 396077227 /nfs/dbraw/zinc/07/72/27/396077227.db2.gz WAZSSYFYJPONIO-GFCCVEGCSA-N 0 0 305.338 0.519 50 0 DCAARN Cc1cnn(C[C@@H]2CN(CC(=O)NC3CCOCC3)CCO2)c1 ZINC000069421271 396077922 /nfs/dbraw/zinc/07/79/22/396077922.db2.gz AESKISXIHZJALQ-HNNXBMFYSA-N 0 0 322.409 0.188 50 0 DCAARN Cc1cnn(C[C@@H]2CN(CC(=O)Nc3cc(C)no3)CCO2)c1 ZINC000069452077 396078760 /nfs/dbraw/zinc/07/87/60/396078760.db2.gz FJUNODMLTMKPDU-ZDUSSCGKSA-N 0 0 319.365 0.827 50 0 DCAARN Cc1nnc2n1CCN(Cc1csc(CC(=O)N(C)C)n1)C2 ZINC000069484914 396080406 /nfs/dbraw/zinc/08/04/06/396080406.db2.gz GBDNJMNYXRUWJE-UHFFFAOYSA-N 0 0 320.422 0.690 50 0 DCAARN CN(Cc1ccco1)C(=O)CN1CCC[C@@H]1Cn1cncn1 ZINC000069617579 396084327 /nfs/dbraw/zinc/08/43/27/396084327.db2.gz UQAYAOWHYOFNGG-CYBMUJFWSA-N 0 0 303.366 0.994 50 0 DCAARN Cn1cc([C@@H]2CCCN2CC(=O)N[C@@H]2CCCCNC2=O)cn1 ZINC000069631974 396085609 /nfs/dbraw/zinc/08/56/09/396085609.db2.gz BEEAVARTTSRJEE-KGLIPLIRSA-N 0 0 319.409 0.342 50 0 DCAARN NS(=O)(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000074054257 396156251 /nfs/dbraw/zinc/15/62/51/396156251.db2.gz AHGZHXUZNQUPHY-UHFFFAOYSA-N 0 0 309.391 0.747 50 0 DCAARN CC[C@H]1C(=O)NCCN1c1ncnc2c1nnn2-c1ccccc1 ZINC000075103526 396175609 /nfs/dbraw/zinc/17/56/09/396175609.db2.gz VZEWDULUYXKDJZ-LBPRGKRZSA-N 0 0 323.360 0.925 50 0 DCAARN CN1CC[C@@H](NC(=O)Nc2ccc(N3CCOCC3)nc2)C1=O ZINC000075143725 396176705 /nfs/dbraw/zinc/17/67/05/396176705.db2.gz HXTVESBKVPHRAQ-GFCCVEGCSA-N 0 0 319.365 0.270 50 0 DCAARN CS(=O)(=O)CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000075511259 396180793 /nfs/dbraw/zinc/18/07/93/396180793.db2.gz DWYAHLZYTNHFPK-CQSZACIVSA-N 0 0 310.419 0.812 50 0 DCAARN Cc1cccn2cc(CC(=O)N3CCN(C[C@@H](C)O)CC3)nc12 ZINC000075603001 396181733 /nfs/dbraw/zinc/18/17/33/396181733.db2.gz ZQASYDNYDVBOBZ-CQSZACIVSA-N 0 0 316.405 0.710 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCO[C@H](c3nnc(C)[nH]3)C2)no1 ZINC000076042580 396193136 /nfs/dbraw/zinc/19/31/36/396193136.db2.gz UQBWEHBEJOTCTL-ONGXEEELSA-N 0 0 320.353 0.810 50 0 DCAARN C[C@H]1CN(C(=O)CCCCNC(N)=O)C[C@@H]1N1CCOCC1 ZINC000076053091 396194799 /nfs/dbraw/zinc/19/47/99/396194799.db2.gz LKPCJJVMSOISCX-STQMWFEESA-N 0 0 312.414 0.004 50 0 DCAARN Cc1noc(CCCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000076052224 396194985 /nfs/dbraw/zinc/19/49/85/396194985.db2.gz UYBHZGUCXBRHMJ-GXTWGEPZSA-N 0 0 322.409 0.880 50 0 DCAARN NS(=O)(=O)CCNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000076082797 396195799 /nfs/dbraw/zinc/19/57/99/396195799.db2.gz VNRVETVBUQRRCA-IUCAKERBSA-N 0 0 304.318 0.473 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H](C(=O)OCCn2cccn2)C1 ZINC000078442274 396245224 /nfs/dbraw/zinc/24/52/24/396245224.db2.gz YRMDMGXZQFXCIQ-LLVKDONJSA-N 0 0 301.368 0.098 50 0 DCAARN CN1CC[C@H](NS(=O)(=O)N2CCC[C@@H]2c2ccco2)C1=O ZINC000078880992 396256410 /nfs/dbraw/zinc/25/64/10/396256410.db2.gz OJEXERYTHMIPRI-WDEREUQCSA-N 0 0 313.379 0.482 50 0 DCAARN O=C(NCCS(=O)(=O)N1CCSCC1)c1ccncc1 ZINC000264400088 396276361 /nfs/dbraw/zinc/27/63/61/396276361.db2.gz SINIIBHQTPFQBI-UHFFFAOYSA-N 0 0 315.420 0.190 50 0 DCAARN O=C(CCn1nnc2ccccc21)N1CCOC[C@H](CO)C1 ZINC000077300081 396218821 /nfs/dbraw/zinc/21/88/21/396218821.db2.gz KCIRIDZDWAVWQO-LBPRGKRZSA-N 0 0 304.350 0.289 50 0 DCAARN CCCOC(=O)NCC[C@@H]1CN(c2cnn(C)c(=O)c2)CCO1 ZINC000077376116 396220251 /nfs/dbraw/zinc/22/02/51/396220251.db2.gz PYWQMNNEQYXOKK-CYBMUJFWSA-N 0 0 324.381 0.512 50 0 DCAARN Cn1c(=O)c(C(=O)N2CCOC[C@@H](CO)C2)cc2c1CCCC2 ZINC000077438821 396222355 /nfs/dbraw/zinc/22/23/55/396222355.db2.gz QUYXBVIQWCCGQD-GFCCVEGCSA-N 0 0 320.389 0.345 50 0 DCAARN CC(C)C[C@H](O)C1CCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)CC1 ZINC000077453425 396222896 /nfs/dbraw/zinc/22/28/96/396222896.db2.gz UXXNLTWINIHAHR-ZDUSSCGKSA-N 0 0 323.393 0.251 50 0 DCAARN CC(C)NC(=O)NCC[C@@H]1CN(c2cnn(C)c(=O)c2)CCO1 ZINC000077564560 396226621 /nfs/dbraw/zinc/22/66/21/396226621.db2.gz BCEFBNWLTJQJDN-CYBMUJFWSA-N 0 0 323.397 0.083 50 0 DCAARN NC(=O)c1cncc(N2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000080763252 396285799 /nfs/dbraw/zinc/28/57/99/396285799.db2.gz HXVZEKDQVVVOPN-UHFFFAOYSA-N 0 0 311.345 0.538 50 0 DCAARN Cc1cc(-n2ccnc2)ccc1CN1CCN(C(=O)CO)CC1 ZINC000192131962 396430023 /nfs/dbraw/zinc/43/00/23/396430023.db2.gz RWTVDILOGPKMTP-UHFFFAOYSA-N 0 0 314.389 0.817 50 0 DCAARN CCS(=O)(=O)CCN(C)C(=O)N[C@H](C)Cn1cccn1 ZINC000270252851 396463544 /nfs/dbraw/zinc/46/35/44/396463544.db2.gz GLRXYCDKWZWKFB-LLVKDONJSA-N 0 0 302.400 0.348 50 0 DCAARN CN1CC(=O)N(CC(=O)N2CCN[C@H](c3ccccc3)C2)C1=O ZINC000581115865 396527489 /nfs/dbraw/zinc/52/74/89/396527489.db2.gz VTGSXIKTRULMDX-ZDUSSCGKSA-N 0 0 316.361 0.054 50 0 DCAARN CN1CCN(C(=O)c2cccc3c2CCC3=O)C[C@H]1CCO ZINC000584884041 396631295 /nfs/dbraw/zinc/63/12/95/396631295.db2.gz NDKDCFRPBQJTQT-GFCCVEGCSA-N 0 0 302.374 0.954 50 0 DCAARN COCCn1cnnc1[C@@H](C)NC(=O)CCn1cc(C)cn1 ZINC000584886229 396632183 /nfs/dbraw/zinc/63/21/83/396632183.db2.gz DOYJZMPJUKCFGF-GFCCVEGCSA-N 0 0 306.370 0.697 50 0 DCAARN Cc1ccccc1C1(NC(=O)N2CCNC(=O)[C@@H]2CCO)CC1 ZINC000584896755 396635359 /nfs/dbraw/zinc/63/53/59/396635359.db2.gz PMHJVXFNZGVPDH-AWEZNQCLSA-N 0 0 317.389 0.877 50 0 DCAARN CS(=O)(=O)CC(=O)NC1(CN2CCOCC2)CCCCC1 ZINC000584898088 396635522 /nfs/dbraw/zinc/63/55/22/396635522.db2.gz FTSONQPFJVVPPQ-UHFFFAOYSA-N 0 0 318.439 0.182 50 0 DCAARN O=C(NCCc1ccco1)c1cc(N2CCOCC2)ncn1 ZINC000585140901 396641255 /nfs/dbraw/zinc/64/12/55/396641255.db2.gz MHISXRZLEISATP-UHFFFAOYSA-N 0 0 302.334 0.879 50 0 DCAARN O=S(=O)(c1ccc(F)cc1F)N1CCN2CCOC[C@@H]2C1 ZINC000375214475 396718337 /nfs/dbraw/zinc/71/83/37/396718337.db2.gz HRRFVIMCXJEHJB-NSHDSACASA-N 0 0 318.345 0.670 50 0 DCAARN NC(=O)c1coc(CNC(=O)C[C@H]2COc3ccccc3O2)n1 ZINC000617487184 396735207 /nfs/dbraw/zinc/73/52/07/396735207.db2.gz QFYPABODDHVYEX-VIFPVBQESA-N 0 0 317.301 0.620 50 0 DCAARN CN1c2ccc(NC(=O)c3nc[nH]n3)cc2N(C)S1(=O)=O ZINC000390827448 397302641 /nfs/dbraw/zinc/30/26/41/397302641.db2.gz HCXZAMKAQIZINQ-UHFFFAOYSA-N 0 0 308.323 0.188 50 0 DCAARN O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)O[C@@H]1CCOC1 ZINC000390832477 397303077 /nfs/dbraw/zinc/30/30/77/397303077.db2.gz ZPMGRYURZZAXQP-WDEREUQCSA-N 0 0 318.337 0.218 50 0 DCAARN O=C(Cn1ncccc1=O)Nc1cnn(C[C@@H]2CCCCO2)c1 ZINC000390827431 397303526 /nfs/dbraw/zinc/30/35/26/397303526.db2.gz HCADQXOSHWBBMO-ZDUSSCGKSA-N 0 0 317.349 0.648 50 0 DCAARN CCO[C@@H]1C[C@@](O)(CNC(=O)[C@H](C)S(C)(=O)=O)C1(C)C ZINC000225356159 286311184 /nfs/dbraw/zinc/31/11/84/286311184.db2.gz WDZBEPJSBIBZCJ-OPQQBVKSSA-N 0 0 307.412 0.102 50 0 DCAARN O=C1C[C@H](NS(=O)(=O)C[C@@H]2CCCO2)[C@H]2CCCCN12 ZINC000328755143 159027061 /nfs/dbraw/zinc/02/70/61/159027061.db2.gz STLMXVQVMHHIKG-SDDRHHMPSA-N 0 0 302.396 0.238 50 0 DCAARN O=C(c1cn[nH]n1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000329145014 159067538 /nfs/dbraw/zinc/06/75/38/159067538.db2.gz WQSDAMMLRZPCLO-UHFFFAOYSA-N 0 0 311.296 0.354 50 0 DCAARN CSc1ncc(C(=O)N2CCC[C@@]3(CNC(=O)O3)C2)cn1 ZINC000221226042 286735321 /nfs/dbraw/zinc/73/53/21/286735321.db2.gz VYLHTPUILQDKBE-CYBMUJFWSA-N 0 0 308.363 0.913 50 0 DCAARN CCN(Cc1cn(C)nn1)C(=O)[C@@H]1COCCN1CC(F)F ZINC000329536186 159100879 /nfs/dbraw/zinc/10/08/79/159100879.db2.gz ZZCKTYJBYPMLSE-NSHDSACASA-N 0 0 317.340 0.130 50 0 DCAARN CC(=O)c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nc1 ZINC000408012111 160010422 /nfs/dbraw/zinc/01/04/22/160010422.db2.gz ZYJFRHPNDHOWTO-CQSZACIVSA-N 0 0 323.418 0.593 50 0 DCAARN C[C@@H]1C(=O)Nc2ccccc2N1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000225435834 287189961 /nfs/dbraw/zinc/18/99/61/287189961.db2.gz AMEDEWFFMDOWDH-NXEZZACHSA-N 0 0 308.359 0.795 50 0 DCAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000002465120 287278700 /nfs/dbraw/zinc/27/87/00/287278700.db2.gz FVAQCEWNGLGHIV-SECBINFHSA-N 0 0 323.374 0.780 50 0 DCAARN O=C(Cn1cccnc1=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000025302742 415161527 /nfs/dbraw/zinc/16/15/27/415161527.db2.gz SFHDRPKYLKTYNT-UHFFFAOYSA-N 0 0 316.292 0.906 50 0 DCAARN Cn1ncc(Cl)c1C(=O)N1CCN(c2ncccn2)CC1 ZINC000002778155 415125399 /nfs/dbraw/zinc/12/53/99/415125399.db2.gz NVUFZDWOYZEBIX-UHFFFAOYSA-N 0 0 306.757 0.826 50 0 DCAARN CC1=NN(CCC(C)C)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 ZINC000004316610 415129555 /nfs/dbraw/zinc/12/95/55/415129555.db2.gz ZTGNFXBHCATTGN-UHFFFAOYSA-N 0 0 318.381 0.676 50 0 DCAARN COC(=O)c1cc(-c2ccco2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000004751573 415130330 /nfs/dbraw/zinc/13/03/30/415130330.db2.gz DNBRAGQJPXLODL-UHFFFAOYSA-N 0 0 301.258 0.668 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000007304225 415137966 /nfs/dbraw/zinc/13/79/66/415137966.db2.gz DMOMOCROXQOSLE-GFCCVEGCSA-N 0 0 319.404 0.551 50 0 DCAARN CCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O ZINC000007527736 415140420 /nfs/dbraw/zinc/14/04/20/415140420.db2.gz UNMWTJPISFDYJQ-UHFFFAOYSA-N 0 0 307.281 0.965 50 0 DCAARN COc1ccc(C(=O)NCC(=O)OCc2nnc(C)o2)cc1 ZINC000007678242 415141365 /nfs/dbraw/zinc/14/13/65/415141365.db2.gz UXHLZOYJVODPTH-UHFFFAOYSA-N 0 0 305.290 0.860 50 0 DCAARN COc1cccc(N2CCN(c3ccc4nnnn4n3)CC2)c1 ZINC000009113968 415143750 /nfs/dbraw/zinc/14/37/50/415143750.db2.gz ZLVMWTBNBHSVHV-UHFFFAOYSA-N 0 0 311.349 0.855 50 0 DCAARN O=C(CCNS(=O)(=O)c1ccccc1)NC1=NCCS1 ZINC000008313740 415145934 /nfs/dbraw/zinc/14/59/34/415145934.db2.gz ZSAOQPZZKNATGH-UHFFFAOYSA-N 0 0 313.404 0.574 50 0 DCAARN C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)C(=O)N1CCNC1=O ZINC000025694736 415165668 /nfs/dbraw/zinc/16/56/68/415165668.db2.gz MZMRHVIRYNQXGL-MRVPVSSYSA-N 0 0 304.306 0.370 50 0 DCAARN COc1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)ccc1OCC(N)=O ZINC000027872973 415173675 /nfs/dbraw/zinc/17/36/75/415173675.db2.gz ILYPSAZMLPLLKQ-PWSUYJOCSA-N 0 0 322.361 0.857 50 0 DCAARN C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)[C@H]1CCCO1 ZINC000027881635 415174260 /nfs/dbraw/zinc/17/42/60/415174260.db2.gz ZTHIZTQIQYMDCV-ZWNOBZJWSA-N 0 0 302.334 0.475 50 0 DCAARN C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)n1cnc2ccccc21 ZINC000030604705 415181792 /nfs/dbraw/zinc/18/17/92/415181792.db2.gz LZWRNOSAYVCVIU-QWRGUYRKSA-N 0 0 307.375 0.901 50 0 DCAARN Cn1nc2c(c1CNC(=O)c1cccn(C)c1=O)CCCC2 ZINC000332025131 415209173 /nfs/dbraw/zinc/20/91/73/415209173.db2.gz GYRQADNWDNWBPP-UHFFFAOYSA-N 0 0 300.362 0.928 50 0 DCAARN NC(=O)CNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000040539782 415198360 /nfs/dbraw/zinc/19/83/60/415198360.db2.gz IPAJLXVBEXYCDA-UHFFFAOYSA-N 0 0 303.362 0.708 50 0 DCAARN O=C(NCCN1CCOCC1)NCc1ccc2c(c1)OCCO2 ZINC000044909784 415232519 /nfs/dbraw/zinc/23/25/19/415232519.db2.gz JBAMLHGAHLPGSP-UHFFFAOYSA-N 0 0 321.377 0.589 50 0 DCAARN COCCn1nc(C(=O)N[C@@H](C)Cc2ccco2)ccc1=O ZINC000044913605 415232968 /nfs/dbraw/zinc/23/29/68/415232968.db2.gz ZSDZVZDZEGLVGQ-NSHDSACASA-N 0 0 305.334 0.844 50 0 DCAARN CC(C)N(C)S(=O)(=O)NCc1cccnc1-n1cncn1 ZINC000044937447 415234120 /nfs/dbraw/zinc/23/41/20/415234120.db2.gz QVOGFWCTXPQGLL-UHFFFAOYSA-N 0 0 310.383 0.337 50 0 DCAARN CC1(C)NC(=O)N(CCCn2nnc(-c3ccco3)n2)C1=O ZINC000044944398 415234183 /nfs/dbraw/zinc/23/41/83/415234183.db2.gz MECNBCZMKGXACA-UHFFFAOYSA-N 0 0 304.310 0.654 50 0 DCAARN CCN(CC(=O)NC)C(=O)c1cc(C)nc2c1c(C)nn2C ZINC000044944720 415235861 /nfs/dbraw/zinc/23/58/61/415235861.db2.gz GLQQYNFXGTXPGS-UHFFFAOYSA-N 0 0 303.366 0.793 50 0 DCAARN C[C@H](Cc1ccc(Cl)cc1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000044939093 415236188 /nfs/dbraw/zinc/23/61/88/415236188.db2.gz ONXMPFKLSNODNM-SNVBAGLBSA-N 0 0 321.764 0.937 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000044934108 415236501 /nfs/dbraw/zinc/23/65/01/415236501.db2.gz NIXRNUJLQQUWJU-ZJUUUORDSA-N 0 0 318.299 0.799 50 0 DCAARN C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cn2[n-]c(=O)ccc2=O)C1 ZINC000044952619 415238144 /nfs/dbraw/zinc/23/81/44/415238144.db2.gz VFDBBCALHWJBOJ-BETUJISGSA-N 0 0 322.409 0.433 50 0 DCAARN CN(Cc1cnn(-c2ccccc2)n1)C[C@@H](O)Cn1cccn1 ZINC000044975343 415240647 /nfs/dbraw/zinc/24/06/47/415240647.db2.gz GQNDAFMKSJKNDX-MRXNPFEDSA-N 0 0 312.377 0.957 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)N[C@H]1CCc2ccccc21 ZINC000045138863 415242156 /nfs/dbraw/zinc/24/21/56/415242156.db2.gz FIIGDRQPWYONJU-ZDUSSCGKSA-N 0 0 311.407 0.912 50 0 DCAARN O=C(NCc1ccnc(N2CCOCC2)c1)Nc1cn[nH]c1 ZINC000045845316 415250678 /nfs/dbraw/zinc/25/06/78/415250678.db2.gz RARVKWQWEBWXGM-UHFFFAOYSA-N 0 0 302.338 0.963 50 0 DCAARN Cc1noc(C)c1CN1CCN(C(=O)CCn2cncn2)CC1 ZINC000047091554 415267537 /nfs/dbraw/zinc/26/75/37/415267537.db2.gz WIVWDDTVEXXZFT-UHFFFAOYSA-N 0 0 318.381 0.617 50 0 DCAARN CN1CC[C@@H](C(=O)N2CCN(Cc3ccncc3)CC2)CC1=O ZINC000044381947 415221942 /nfs/dbraw/zinc/22/19/42/415221942.db2.gz VBFVROUGCBVOBL-OAHLLOKOSA-N 0 0 316.405 0.594 50 0 DCAARN COc1ccccc1CCNC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000044892460 415228913 /nfs/dbraw/zinc/22/89/13/415228913.db2.gz SYOAFPVBYUSXSO-LBPRGKRZSA-N 0 0 312.391 0.724 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)NCCN1CCCCCC1=O ZINC000048251975 415288467 /nfs/dbraw/zinc/28/84/67/415288467.db2.gz UURVKDOWGYIBFK-ZDUSSCGKSA-N 0 0 307.398 0.973 50 0 DCAARN CCN(C[C@@H]1CCOC1)C(=O)c1cnc2n(c1=O)CCS2 ZINC000048311742 415292019 /nfs/dbraw/zinc/29/20/19/415292019.db2.gz HIOVAPYWFOYHTK-JTQLQIEISA-N 0 0 309.391 0.848 50 0 DCAARN C[C@H](NC(=O)NCCCN1CCCC1=O)C(=O)NC1CCCC1 ZINC000058158286 415340358 /nfs/dbraw/zinc/34/03/58/415340358.db2.gz LZPGIRHFAAMYGK-LBPRGKRZSA-N 0 0 324.425 0.745 50 0 DCAARN CNC(=O)NC(=O)CSc1nnc(N(C)C)n1C(C)C ZINC000069769040 415401333 /nfs/dbraw/zinc/40/13/33/415401333.db2.gz UHMUJGOJADQVLI-UHFFFAOYSA-N 0 0 300.388 0.473 50 0 DCAARN COCCCOC1CN(C(=O)NC2CCN(C(C)=O)CC2)C1 ZINC000332454462 415404359 /nfs/dbraw/zinc/40/43/59/415404359.db2.gz NXPGKNZCMCDHLY-UHFFFAOYSA-N 0 0 313.398 0.444 50 0 DCAARN Cc1csc(NC(=O)CN2CCO[C@@H](Cn3cncn3)C2)n1 ZINC000070004048 415405979 /nfs/dbraw/zinc/40/59/79/415405979.db2.gz DVUCHDPTIZBMKD-LLVKDONJSA-N 0 0 322.394 0.383 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)[C@H]2CCCN(C(C)=O)C2)CC1 ZINC000071881759 415408476 /nfs/dbraw/zinc/40/84/76/415408476.db2.gz LTKHMOKFSAXSAG-GJZGRUSLSA-N 0 0 311.426 0.160 50 0 DCAARN CN(CC(=O)Nc1nncs1)[C@@H](C(N)=O)c1cccc(F)c1 ZINC000071900531 415411134 /nfs/dbraw/zinc/41/11/34/415411134.db2.gz HMUZSDSJPBQHGB-LLVKDONJSA-N 0 0 323.353 0.774 50 0 DCAARN Cc1nc(C)n(CCCNC(=O)[C@H]2NCCc3nc[nH]c32)n1 ZINC000072454759 415415167 /nfs/dbraw/zinc/41/51/67/415415167.db2.gz VJUGDJAJRJFYLA-ZDUSSCGKSA-N 0 0 303.370 0.011 50 0 DCAARN COc1nc(C)cc(C)c1CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000066782021 415365405 /nfs/dbraw/zinc/36/54/05/415365405.db2.gz VZHRRLIDKVHJCU-NSHDSACASA-N 0 0 320.349 0.311 50 0 DCAARN COCc1cc(CNC(=O)c2ccc3c(c2)nnn3C)[nH]n1 ZINC000067820387 415385615 /nfs/dbraw/zinc/38/56/15/415385615.db2.gz SFRJRPFZSYJKJH-UHFFFAOYSA-N 0 0 300.322 0.768 50 0 DCAARN CCn1nc(C)c(C(=O)N2CCC3(CC2)NCCNC3=O)c1C ZINC000067789604 415385861 /nfs/dbraw/zinc/38/58/61/415385861.db2.gz KCXIEGIWFYFNKM-UHFFFAOYSA-N 0 0 319.409 0.214 50 0 DCAARN CCN(Cc1c(CO)cnc(C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000067820123 415386231 /nfs/dbraw/zinc/38/62/31/415386231.db2.gz KVJNZSKOYSLZEF-LBPRGKRZSA-N 0 0 314.407 0.597 50 0 DCAARN C[NH+](C)[C@@H]1CCN(C(=O)c2cc(CN3CCOCC3)on2)C1 ZINC000067895819 415389833 /nfs/dbraw/zinc/38/98/33/415389833.db2.gz UZBWIEYUVNXYES-GFCCVEGCSA-N 0 0 308.382 0.283 50 0 DCAARN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)COCC(C)C ZINC000084718671 415499214 /nfs/dbraw/zinc/49/92/14/415499214.db2.gz VMXZCDOQETVCBE-NWDGAFQWSA-N 0 0 318.439 0.448 50 0 DCAARN Cc1cc(C)c(CNC(=O)NC[C@@H](C)N2CCOCC2)c(=O)[nH]1 ZINC000075111120 415436331 /nfs/dbraw/zinc/43/63/31/415436331.db2.gz TXKGHYKISGAYIC-CYBMUJFWSA-N 0 0 322.409 0.512 50 0 DCAARN Cc1cc(C)c(CNC(=O)NCc2nnc3n2CCC3)c(=O)[nH]1 ZINC000075111154 415437478 /nfs/dbraw/zinc/43/74/78/415437478.db2.gz PANBOTOIBJUUGV-UHFFFAOYSA-N 0 0 316.365 0.529 50 0 DCAARN CN1CCN(C2CCN(CC(=O)Nc3cccnc3)CC2)C1=O ZINC000075131582 415439700 /nfs/dbraw/zinc/43/97/00/415439700.db2.gz MOAIBQNSNHEYGX-UHFFFAOYSA-N 0 0 317.393 0.852 50 0 DCAARN Cc1ccc(-c2cc(C(=O)N3CCN(CCO)CC3)[nH]n2)o1 ZINC000075572708 415447530 /nfs/dbraw/zinc/44/75/30/415447530.db2.gz CILFYIJSPDFMRF-UHFFFAOYSA-N 0 0 304.350 0.728 50 0 DCAARN CC[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H]1N1CCOCC1 ZINC000084735831 415502594 /nfs/dbraw/zinc/50/25/94/415502594.db2.gz ZKVVYIBXJFJQCP-CVEARBPZSA-N 0 0 320.437 0.922 50 0 DCAARN CS(=O)(=O)CCC(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000077210642 415459741 /nfs/dbraw/zinc/45/97/41/415459741.db2.gz HMYDUCZFWIBJMY-UHFFFAOYSA-N 0 0 321.402 0.982 50 0 DCAARN COC(=O)c1cccc2[nH]c(NC(=O)c3nccnc3N)nc21 ZINC000089406978 415520920 /nfs/dbraw/zinc/52/09/20/415520920.db2.gz FKYQNCINVPYHDQ-UHFFFAOYSA-N 0 0 312.289 0.396 50 0 DCAARN CN(Cc1cc[nH]n1)C(=O)[C@@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000095355302 415554280 /nfs/dbraw/zinc/55/42/80/415554280.db2.gz DSNHKXJJRYPRSC-CYBMUJFWSA-N 0 0 313.361 0.812 50 0 DCAARN O=C(NC1CCOCC1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 ZINC000095361966 415554560 /nfs/dbraw/zinc/55/45/60/415554560.db2.gz CHPRKHOLGHWOMC-CYBMUJFWSA-N 0 0 303.362 0.725 50 0 DCAARN NC(=O)[C@H](CO)NC(=O)c1ccc2nc(-c3ccccc3)cn2c1 ZINC000095376533 415556774 /nfs/dbraw/zinc/55/67/74/415556774.db2.gz XVXVOMFVHRSDAI-AWEZNQCLSA-N 0 0 324.340 0.577 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CC(Oc2ccccc2Cl)C1 ZINC000095383594 415557906 /nfs/dbraw/zinc/55/79/06/415557906.db2.gz YEXYOQWULQZACY-JTQLQIEISA-N 0 0 323.736 0.528 50 0 DCAARN CC(C)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000095951619 415563156 /nfs/dbraw/zinc/56/31/56/415563156.db2.gz DTPQITUNURTYBF-VXGBXAGGSA-N 0 0 304.412 0.773 50 0 DCAARN COC(=O)c1cn(C2CCN(C(=O)[C@@H](C)SC)CC2)nn1 ZINC000095940070 415563824 /nfs/dbraw/zinc/56/38/24/415563824.db2.gz QSFQFVFSNCFPKO-SECBINFHSA-N 0 0 312.395 0.980 50 0 DCAARN CCn1cnnc1CNC(=O)N1CCN(Cc2ccco2)CC1 ZINC000095950773 415565661 /nfs/dbraw/zinc/56/56/61/415565661.db2.gz PBUQDFOTXGCUEF-UHFFFAOYSA-N 0 0 318.381 0.918 50 0 DCAARN COC[C@@H](NC(=O)CCCNC(=O)c1ccccc1)C(=O)OC ZINC000095994591 415568292 /nfs/dbraw/zinc/56/82/92/415568292.db2.gz JOJQFFCCHVTUOG-CYBMUJFWSA-N 0 0 322.361 0.501 50 0 DCAARN Cn1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CC=CCC2)c1 ZINC000095973247 415568529 /nfs/dbraw/zinc/56/85/29/415568529.db2.gz CJOIFQAULJTAFM-LBPRGKRZSA-N 0 0 311.407 0.776 50 0 DCAARN C/C=C\CN1N=C(C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000102909373 415602395 /nfs/dbraw/zinc/60/23/95/415602395.db2.gz MBETWPPFFLYHBE-WAYWQWQTSA-N 0 0 302.338 0.206 50 0 DCAARN Cc1nc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)oc1C ZINC000096407660 415577566 /nfs/dbraw/zinc/57/75/66/415577566.db2.gz XPTCILJDRLOWOT-STQMWFEESA-N 0 0 313.423 0.642 50 0 DCAARN CC(=O)N1CCN(C(=O)c2nc3ccccc3o2)C[C@@H](O)C1 ZINC000097137841 415586365 /nfs/dbraw/zinc/58/63/65/415586365.db2.gz MLAOJYHAUJZTIK-NSHDSACASA-N 0 0 303.318 0.493 50 0 DCAARN COc1cncc(N2CCN(C[C@H](O)C(F)(F)F)CC2)n1 ZINC000097141803 415587115 /nfs/dbraw/zinc/58/71/15/415587115.db2.gz CHXMJEZIIXIPHG-VIFPVBQESA-N 0 0 306.288 0.530 50 0 DCAARN CC(C)N(Cc1nccn1C)C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C ZINC000097155681 415587189 /nfs/dbraw/zinc/58/71/89/415587189.db2.gz FCBKMNZICSFHKS-LLVKDONJSA-N 0 0 321.381 0.440 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCc2nccn2C1 ZINC000097197593 415587354 /nfs/dbraw/zinc/58/73/54/415587354.db2.gz VRZHPGPTAXTTBL-NSHDSACASA-N 0 0 312.329 0.922 50 0 DCAARN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000097985454 415591237 /nfs/dbraw/zinc/59/12/37/415591237.db2.gz VHUFPZXLYHSJNF-XCBNKYQSSA-N 0 0 307.354 0.202 50 0 DCAARN CN(CCN1CCOCC1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000121885148 415819966 /nfs/dbraw/zinc/81/99/66/415819966.db2.gz RQXHYOABMFAYLB-CYBMUJFWSA-N 0 0 307.398 0.241 50 0 DCAARN Cc1ccc(-n2[n-]c(C(=O)N3CC[NH2+]C[C@@H]3C)cc2=O)cc1 ZINC000126299458 415873245 /nfs/dbraw/zinc/87/32/45/415873245.db2.gz IWBBSNSCWXPBQI-LBPRGKRZSA-N 0 0 300.362 0.908 50 0 DCAARN C[C@@H](O)C(=O)N1CCN(CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000153044450 415974908 /nfs/dbraw/zinc/97/49/08/415974908.db2.gz ITDRHTOWVSNQAT-GFCCVEGCSA-N 0 0 323.368 0.679 50 0 DCAARN C[C@H](Cn1cncn1)NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000299138544 416055566 /nfs/dbraw/zinc/05/55/66/416055566.db2.gz XRNQKSNVQDAWQN-HRDYMLBCSA-N 0 0 319.287 0.240 50 0 DCAARN CCOCC(=O)N1CCC(C(=O)NCCc2cn[nH]c2)CC1 ZINC000299760918 416064079 /nfs/dbraw/zinc/06/40/79/416064079.db2.gz QAQHVBFQBNESSA-UHFFFAOYSA-N 0 0 308.382 0.344 50 0 DCAARN COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(OC)cc2OC)CN1 ZINC000299766334 416066421 /nfs/dbraw/zinc/06/64/21/416066421.db2.gz CLPJJHCLEQBULC-CABZTGNLSA-N 0 0 308.334 0.337 50 0 DCAARN Cn1nnnc1SCCNC(=O)Nc1cc(C2CC2)nn1C ZINC000299778292 416068389 /nfs/dbraw/zinc/06/83/89/416068389.db2.gz QFDJTGRPTNDONZ-UHFFFAOYSA-N 0 0 322.398 0.735 50 0 DCAARN Cc1cc(=O)[nH]c(CCNC(=O)CN2CCCCCC2=O)n1 ZINC000299794231 416070168 /nfs/dbraw/zinc/07/01/68/416070168.db2.gz JDMQRBSKYXQCIV-UHFFFAOYSA-N 0 0 306.366 0.552 50 0 DCAARN CCCn1cnnc1[C@H](C)NC(=O)c1ccc2nnnn2c1 ZINC000299787734 416070287 /nfs/dbraw/zinc/07/02/87/416070287.db2.gz XLZBYIGHZLSKGO-VIFPVBQESA-N 0 0 300.326 0.617 50 0 DCAARN Cc1ncnc(N2CCN(C(=O)Cn3ccnn3)CC2)c1C ZINC000299796883 416071098 /nfs/dbraw/zinc/07/10/98/416071098.db2.gz RGPZPIJHHLPHFL-UHFFFAOYSA-N 0 0 301.354 0.034 50 0 DCAARN Cc1ccc2[nH]c(CCNC(=O)CN3CCC[C@@H](O)C3)nc2c1 ZINC000299799580 416071373 /nfs/dbraw/zinc/07/13/73/416071373.db2.gz SLUJFDSMGVCNIN-CYBMUJFWSA-N 0 0 316.405 0.987 50 0 DCAARN CCCn1nc(C)c(NC(=O)NCCc2n[nH]c(=O)n2C)c1C ZINC000299802896 416071660 /nfs/dbraw/zinc/07/16/60/416071660.db2.gz RWDKYRFDCXAGFQ-UHFFFAOYSA-N 0 0 321.385 0.696 50 0 DCAARN COc1cccc([C@@H]2[C@@H](NS(N)(=O)=O)CCN2C2CC2)c1 ZINC000179902127 416194598 /nfs/dbraw/zinc/19/45/98/416194598.db2.gz LQFMNAMRHRCFDC-UONOGXRCSA-N 0 0 311.407 0.766 50 0 DCAARN C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)[C@H](c2ccccc2)CO1 ZINC000182243892 416216161 /nfs/dbraw/zinc/21/61/61/416216161.db2.gz RPNMUJOVQPBPNO-JSGCOSHPSA-N 0 0 316.361 0.570 50 0 DCAARN C[C@H]1CN(CCN2CCC(C)(C)S(=O)(=O)CC2)CCO1 ZINC000192850184 416311346 /nfs/dbraw/zinc/31/13/46/416311346.db2.gz GUFWLXNMIFJIGT-ZDUSSCGKSA-N 0 0 304.456 0.606 50 0 DCAARN O=C([C@@H]1CCCO1)N1CCN(C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000191921277 416291436 /nfs/dbraw/zinc/29/14/36/416291436.db2.gz OTIFYJNIRIRHOZ-KGLIPLIRSA-N 0 0 322.405 0.795 50 0 DCAARN COC(=O)c1cn([C@@H](CC(C)C)C(N)=O)cc2c(=O)[nH]nc1-2 ZINC000263588513 416338346 /nfs/dbraw/zinc/33/83/46/416338346.db2.gz VDDZMEUKHNBSBI-JTQLQIEISA-N 0 0 306.322 0.535 50 0 DCAARN COC(=O)c1cn(C2CCN(C(C)=O)CC2)cc2c(=O)[nH]nc1-2 ZINC000263587739 416338385 /nfs/dbraw/zinc/33/83/85/416338385.db2.gz KSDXUSVCSWOZGC-UHFFFAOYSA-N 0 0 318.333 0.646 50 0 DCAARN O=C(NCc1cn2c(n1)CCCC2)N[C@H]1CCc2ncnn2C1 ZINC000264913294 416339792 /nfs/dbraw/zinc/33/97/92/416339792.db2.gz QHSSJTQBYDXMIA-NSHDSACASA-N 0 0 315.381 0.625 50 0 DCAARN C[N@@H+]1C[C@@H](NC(=O)Cc2nc3ccccc3[nH]2)C[C@H]1C(=O)[O-] ZINC000215543116 416326950 /nfs/dbraw/zinc/32/69/50/416326950.db2.gz UZFLVRFCEQMHRU-CABZTGNLSA-N 0 0 302.334 0.379 50 0 DCAARN CC(C)(CN1CCN(C(=O)c2ccc[nH]2)CC1)N1CCOCC1 ZINC000216096766 416327475 /nfs/dbraw/zinc/32/74/75/416327475.db2.gz GUQWUISWLHABPY-UHFFFAOYSA-N 0 0 320.437 0.883 50 0 DCAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1c[nH]c(=O)[nH]c1=O ZINC000216222116 416327599 /nfs/dbraw/zinc/32/75/99/416327599.db2.gz FCPOPLMTUAEZQT-MRVPVSSYSA-N 0 0 323.736 0.800 50 0 DCAARN Cn1c(=O)[nH]cc(CC(=O)N[C@H]2COC3(C2)CCCCC3)c1=O ZINC000221384783 416327696 /nfs/dbraw/zinc/32/76/96/416327696.db2.gz CPEIQGUTVFCNGH-GFCCVEGCSA-N 0 0 321.377 0.224 50 0 DCAARN NC(=O)[C@H]1CN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CCO1 ZINC000241231049 416330016 /nfs/dbraw/zinc/33/00/16/416330016.db2.gz KRMSRAUSMRJEOF-KGLIPLIRSA-N 0 0 321.352 0.332 50 0 DCAARN Cc1nonc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000241588162 416330079 /nfs/dbraw/zinc/33/00/79/416330079.db2.gz PAHIMNVNVLLGDN-UHFFFAOYSA-N 0 0 300.326 0.138 50 0 DCAARN CCC(CC)(CC)NC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000241316992 416330106 /nfs/dbraw/zinc/33/01/06/416330106.db2.gz LWSHHUORBUOGCY-UHFFFAOYSA-N 0 0 302.400 0.616 50 0 DCAARN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(C)(C)CSC ZINC000240534511 416330120 /nfs/dbraw/zinc/33/01/20/416330120.db2.gz GOEOTLODZKNCRJ-JTQLQIEISA-N 0 0 315.439 0.229 50 0 DCAARN O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ccc2nnnn2c1 ZINC000244574744 416330326 /nfs/dbraw/zinc/33/03/26/416330326.db2.gz CQONEPCBADSBFK-ZOWXZIJZSA-N 0 0 324.344 0.761 50 0 DCAARN Cn1cc([C@H](NC(=O)C(=O)c2ccco2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244707895 416330613 /nfs/dbraw/zinc/33/06/13/416330613.db2.gz KJPHAILTLFISKJ-SUZMYJTESA-N 0 0 303.318 0.824 50 0 DCAARN Cn1nc2c(c1C(=O)NCc1nnc3n1CCC3)CCCC2 ZINC000244748470 416330622 /nfs/dbraw/zinc/33/06/22/416330622.db2.gz OICVZZIFJQAXCO-UHFFFAOYSA-N 0 0 300.366 0.767 50 0 DCAARN O=C(C[N@H+]1CCC[C@](O)(CO)CC1)NCCc1ccc(F)cc1 ZINC000244715972 416330810 /nfs/dbraw/zinc/33/08/10/416330810.db2.gz LFZVWRVGNZOJID-QGZVFWFLSA-N 0 0 324.396 0.694 50 0 DCAARN CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC(C)C)nc1 ZINC000585115079 416517319 /nfs/dbraw/zinc/51/73/19/416517319.db2.gz LJHJFFFFVDJFPI-SNVBAGLBSA-N 0 0 315.395 0.672 50 0 DCAARN CCCn1[nH]ccc1=NC(=O)CN1CCC[C@@H]1Cn1cncn1 ZINC000588080481 416520776 /nfs/dbraw/zinc/52/07/76/416520776.db2.gz JTSQZMZFSMNKBR-CYBMUJFWSA-N 0 0 317.397 0.410 50 0 DCAARN CN(CCNc1cc([C@@H]2CCOC2)ncn1)Cc1ncc[nH]1 ZINC000426405852 416767303 /nfs/dbraw/zinc/76/73/03/416767303.db2.gz YSROESKBDXVFOX-GFCCVEGCSA-N 0 0 302.382 1.248 50 0 DCAARN Cc1nc(N2CCCCC2)ncc1C(=O)NCc1nc(N)n[nH]1 ZINC000426477738 416769973 /nfs/dbraw/zinc/76/99/73/416769973.db2.gz MPNSFGAYYYUVAR-UHFFFAOYSA-N 0 0 316.369 0.406 50 0 DCAARN O=C1Nc2ccccc2C[C@H]1NS(=O)(=O)C[C@@H]1CCOC1 ZINC000528541688 417357436 /nfs/dbraw/zinc/35/74/36/417357436.db2.gz IOUAGRVYULYICG-ZWNOBZJWSA-N 0 0 310.375 0.506 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](OCC2CC2)C1 ZINC000575609622 417540626 /nfs/dbraw/zinc/54/06/26/417540626.db2.gz YEVONSGWLULAQE-NEPJUHHUSA-N 0 0 302.396 0.384 50 0 DCAARN O=C(NCc1ccnc(N2CCCC2=O)c1)N1CCNC1=O ZINC000575618056 417541078 /nfs/dbraw/zinc/54/10/78/417541078.db2.gz DITNQUDZGABBDG-UHFFFAOYSA-N 0 0 303.322 0.443 50 0 DCAARN Cn1cc(-c2noc(CNc3ncnc4c3cnn4C)n2)cn1 ZINC000575616987 417541124 /nfs/dbraw/zinc/54/11/24/417541124.db2.gz PEOPLWHKSJGJFD-UHFFFAOYSA-N 0 0 311.309 0.759 50 0 DCAARN Cc1nn(C)c(C)c1C(=O)N1CC(CN2C(=O)COC2=O)C1 ZINC000575616764 417541637 /nfs/dbraw/zinc/54/16/37/417541637.db2.gz PDKXRIPMMYSHNU-UHFFFAOYSA-N 0 0 306.322 0.088 50 0 DCAARN Cn1cccc(C(=O)NCCn2ccnc2-c2cnccn2)c1=O ZINC000575609503 417541821 /nfs/dbraw/zinc/54/18/21/417541821.db2.gz MENDXSBRFHNAGK-UHFFFAOYSA-N 0 0 324.344 0.469 50 0 DCAARN O=C(NCCN1C(=O)COC1=O)[C@@H]1CCc2ccccc2O1 ZINC000575617350 417541945 /nfs/dbraw/zinc/54/19/45/417541945.db2.gz VTJGASMSPPESSA-LBPRGKRZSA-N 0 0 304.302 0.475 50 0 DCAARN C[C@H](CC(=O)N1C[C@H](O)C[C@H]1C(N)=O)Cc1cccc(F)c1 ZINC000529779279 417506763 /nfs/dbraw/zinc/50/67/63/417506763.db2.gz KVRNMXAVAITQCE-GDLCADMTSA-N 0 0 308.353 0.842 50 0 DCAARN COCCN1C[C@H](CNC(=O)CCc2ccc(O)cc2)CC1=O ZINC000299798027 229458256 /nfs/dbraw/zinc/45/82/56/229458256.db2.gz QGZVFRXZDDXKHI-AWEZNQCLSA-N 0 0 320.389 0.936 50 0 DCAARN C[C@@H]1CN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C[C@]1(C)O ZINC000091326698 262545124 /nfs/dbraw/zinc/54/51/24/262545124.db2.gz XXXGRNHSASBYGJ-ABAIWWIYSA-N 0 0 311.403 0.862 50 0 DCAARN Cc1ccc(C(=O)NCCOCCS(N)(=O)=O)c(Cl)c1 ZINC000424059118 271396327 /nfs/dbraw/zinc/39/63/27/271396327.db2.gz MRBZGULTQLDJDH-UHFFFAOYSA-N 0 0 320.798 0.683 50 0 DCAARN CCCCN1N=C(C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000004316608 273604710 /nfs/dbraw/zinc/60/47/10/273604710.db2.gz YZXUXOOLYCBGKX-UHFFFAOYSA-N 0 0 304.354 0.430 50 0 DCAARN CCOc1ccnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000069518304 276500436 /nfs/dbraw/zinc/50/04/36/276500436.db2.gz GRZMAZJWQGGUTJ-GFCCVEGCSA-N 0 0 306.366 0.703 50 0 DCAARN CC(=O)N1CC(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)C1 ZINC000225575731 276954910 /nfs/dbraw/zinc/95/49/10/276954910.db2.gz LAWFJSNXAZTXTR-CABCVRRESA-N 0 0 306.337 0.938 50 0 DCAARN CC(=O)N1CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000053355947 276970080 /nfs/dbraw/zinc/97/00/80/276970080.db2.gz JFMJMCFRNPPJKT-UHFFFAOYSA-N 0 0 324.402 0.785 50 0 DCAARN CN1C(=O)CO[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1ccccc1 ZINC000226158980 277009899 /nfs/dbraw/zinc/00/98/99/277009899.db2.gz IKDIPZDDUGZAIS-KBMXLJTQSA-N 0 0 318.373 0.880 50 0 DCAARN CNc1nc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)ncc1F ZINC000299755372 277046407 /nfs/dbraw/zinc/04/64/07/277046407.db2.gz HZSSYVJBEBXWJX-QWRGUYRKSA-N 0 0 305.317 0.599 50 0 DCAARN COC(=O)C1=C[C@]2(CC(=O)N(c3ccc(C)c(C)c3)C2=O)NN1 ZINC000000507313 277051457 /nfs/dbraw/zinc/05/14/57/277051457.db2.gz HCQXWJUOUFUEDF-MRXNPFEDSA-N 0 0 315.329 0.828 50 0 DCAARN CN1CCN(C(=O)N2CCC[C@H](Oc3cnccn3)C2)CC1 ZINC000225476715 277091300 /nfs/dbraw/zinc/09/13/00/277091300.db2.gz DRHLUAKSZBOBDG-ZDUSSCGKSA-N 0 0 305.382 0.687 50 0 DCAARN CN1N=C(c2ccccc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000009060188 277213970 /nfs/dbraw/zinc/21/39/70/277213970.db2.gz XTCMNRSBGWOHDW-UHFFFAOYSA-N 0 0 324.344 0.288 50 0 DCAARN CNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 ZINC000000390399 277305697 /nfs/dbraw/zinc/30/56/97/277305697.db2.gz GEPVJRFODKTPGC-UHFFFAOYSA-N 0 0 313.361 0.718 50 0 DCAARN COC(=O)c1cc(-c2cccnc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000012527537 277418427 /nfs/dbraw/zinc/41/84/27/277418427.db2.gz XQUBFKBKNNDOKJ-UHFFFAOYSA-N 0 0 312.285 0.470 50 0 DCAARN Cc1cc(=O)[nH]c(NCCN2C[C@]3(CCOC3)CCC2=O)n1 ZINC000092061934 278623439 /nfs/dbraw/zinc/62/34/39/278623439.db2.gz ZUXZCPCAPGSMAD-OAHLLOKOSA-N 0 0 306.366 0.519 50 0 DCAARN CCC[C@H]1[C@H](C)CCCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000078933821 278963654 /nfs/dbraw/zinc/96/36/54/278963654.db2.gz DEJSUEMXYSTDSN-OLZOCXBDSA-N 0 0 307.394 0.974 50 0 DCAARN CC1(C)C[C@@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 ZINC000095972994 281326563 /nfs/dbraw/zinc/32/65/63/281326563.db2.gz GQHBUUUWDXBCOG-UTUOFQBUSA-N 0 0 300.424 0.410 50 0 DCAARN CN(CC[NH+](C)C)[C@H]1CCCN(C(=O)CCc2cc(=O)[n-]o2)C1 ZINC000072121598 289133838 /nfs/dbraw/zinc/13/38/38/289133838.db2.gz MZVSSWUTCFPGOX-ZDUSSCGKSA-N 0 0 324.425 0.797 50 0 DCAARN Cn1c2c(c(=O)n(C)c1=O)[C@@H]1c3cc(N)ccc3OC[C@@H]1CO2 ZINC000006623962 294175591 /nfs/dbraw/zinc/17/55/91/294175591.db2.gz KTIHGMHJGBNFNA-PELKAZGASA-N 0 0 315.329 0.199 50 0 biogenic DCAARN O=C(CCN1C(=O)c2nccnc2C1=O)Nc1nccs1 ZINC000072402222 295473369 /nfs/dbraw/zinc/47/33/69/295473369.db2.gz CNCSLYIMIIWTKW-UHFFFAOYSA-N 0 0 303.303 0.558 50 0 DCAARN O=C(Cn1ncccc1=O)Nc1nc2c(s1)C(=O)NCCC2 ZINC000096124404 295564349 /nfs/dbraw/zinc/56/43/49/295564349.db2.gz AXRNGOPPDAVSDF-UHFFFAOYSA-N 0 0 319.346 0.015 50 0 DCAARN O=C(c1cnc2n(c1=O)CCS2)N1CCO[C@H]2CCC[C@@H]21 ZINC000053379146 304593246 /nfs/dbraw/zinc/59/32/46/304593246.db2.gz GFLLEJBRMYQXGE-QWRGUYRKSA-N 0 0 307.375 0.743 50 0 DCAARN Cn1cc(C(=O)N2CCCC[C@H]2c2nccs2)c(=O)[nH]c1=O ZINC000215419331 302906165 /nfs/dbraw/zinc/90/61/65/302906165.db2.gz FFZVVWPECMYWOU-JTQLQIEISA-N 0 0 320.374 0.898 50 0 DCAARN Cc1cc2nc(C(=O)NC[C@@H]3CN(C)CCO3)cc(C)n2n1 ZINC000534578909 334288650 /nfs/dbraw/zinc/28/86/50/334288650.db2.gz PFJUMCDWOAHTFQ-GFCCVEGCSA-N 0 0 303.366 0.407 50 0 DCAARN CCCc1nc(CNS(=O)(=O)N2CCN(C)CC2)cs1 ZINC000534650528 334311621 /nfs/dbraw/zinc/31/16/21/334311621.db2.gz UZEVAKNGFPPMSF-UHFFFAOYSA-N 0 0 318.468 0.677 50 0 DCAARN CCCn1ncnc1[C@@H](C)NC(=O)Cn1nc(C)c(C)cc1=O ZINC000534651168 334311997 /nfs/dbraw/zinc/31/19/97/334311997.db2.gz CUQZHMVXDIYNFH-GFCCVEGCSA-N 0 0 318.381 0.739 50 0 DCAARN CCN(C(=O)NCc1noc(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000534653326 334312868 /nfs/dbraw/zinc/31/28/68/334312868.db2.gz ITCRCZLWEOGGNO-SECBINFHSA-N 0 0 302.356 0.097 50 0 DCAARN CCOCC(=O)N1CCC(C(=O)NCCc2ncc[nH]2)CC1 ZINC000534654324 334313243 /nfs/dbraw/zinc/31/32/43/334313243.db2.gz TZLLXAKOPPEFDI-UHFFFAOYSA-N 0 0 308.382 0.344 50 0 DCAARN COc1ccc(N(C)C(=O)CCN2CCCS2(=O)=O)cn1 ZINC000299434899 533974186 /nfs/dbraw/zinc/97/41/86/533974186.db2.gz RFPRVDPLWCNCSW-UHFFFAOYSA-N 0 0 313.379 0.479 50 0 DCAARN CC(C)(C)S(=O)(=O)c1ccc(N2CC[C@H](C(N)=O)C2)cn1 ZINC000267575948 518902995 /nfs/dbraw/zinc/90/29/95/518902995.db2.gz YBMWXJXZYGRBBO-JTQLQIEISA-N 0 0 311.407 0.965 50 0 DCAARN C=CC(=O)N1CCN([C@@H]2CCCN(C3CCOCC3)C2=O)CC1 ZINC000328596926 526916008 /nfs/dbraw/zinc/91/60/08/526916008.db2.gz BNUAEYRCFZGPNC-OAHLLOKOSA-N 0 0 321.421 0.487 50 0 DCAARN CCNC(=O)[C@H](C)NS(=O)(=O)CCOCc1ccccc1 ZINC000295721508 528220981 /nfs/dbraw/zinc/22/09/81/528220981.db2.gz HAWHUPRFRUYGBD-LBPRGKRZSA-N 0 0 314.407 0.647 50 0 DCAARN CN(CC(=O)N1C[C@@H](O)C[C@@H]1C1CCCCC1)S(C)(=O)=O ZINC000083857450 545697531 /nfs/dbraw/zinc/69/75/31/545697531.db2.gz LOCCZFJAGBPYDV-QWHCGFSZSA-N 0 0 318.439 0.420 50 0 DCAARN CC(C)c1nnc([C@@H]2CN(CCCS(C)(=O)=O)CCO2)[nH]1 ZINC000084630897 545701772 /nfs/dbraw/zinc/70/17/72/545701772.db2.gz SXVHRLGBADVWRP-NSHDSACASA-N 0 0 316.427 0.736 50 0 DCAARN CC[C@@H]1CN(C(=O)[C@@H](C)OCCOC)C[C@H]1N1CCOCC1 ZINC000084735621 545702976 /nfs/dbraw/zinc/70/29/76/545702976.db2.gz SOZVLGXDJCQNGJ-RBSFLKMASA-N 0 0 314.426 0.607 50 0 DCAARN Cc1cc(C(=O)NC2(C(N)=O)CCOCC2)nn1[C@@H](C)C1CC1 ZINC000584908418 546303117 /nfs/dbraw/zinc/30/31/17/546303117.db2.gz SLXWJDSMMNZMFV-NSHDSACASA-N 0 0 320.393 0.927 50 0 DCAARN O=C(NC1CCS(=O)(=O)CC1)c1cccc2nccnc21 ZINC000670454204 547097594 /nfs/dbraw/zinc/09/75/94/547097594.db2.gz URVVTUUHJPYQAL-UHFFFAOYSA-N 0 0 305.359 0.937 50 0 DCAARN CCC1=NO[C@@H](C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)C1 ZINC000670471870 547101860 /nfs/dbraw/zinc/10/18/60/547101860.db2.gz AJFJNNLVSMCYRL-GFCCVEGCSA-N 0 0 309.366 0.391 50 0 DCAARN CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1nnn(C)n1 ZINC000685939888 548746085 /nfs/dbraw/zinc/74/60/85/548746085.db2.gz YJWHKXQHYQGZBD-NSHDSACASA-N 0 0 318.385 0.362 50 0 DCAARN COc1cccc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)c1 ZINC000685942958 548748171 /nfs/dbraw/zinc/74/81/71/548748171.db2.gz YQUROLBMGMGHOO-UONOGXRCSA-N 0 0 303.318 0.995 50 0 DCAARN CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(Cn2cnnn2)cc1 ZINC000222295558 563724802 /nfs/dbraw/zinc/72/48/02/563724802.db2.gz RQPRLTYRUFMDBY-ZIAGYGMSSA-N 0 0 317.349 0.255 50 0 DCAARN Cn1ccnc1SCCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000426380707 661561129 /nfs/dbraw/zinc/56/11/29/661561129.db2.gz SUQHPJVUWXINNZ-SECBINFHSA-N 0 0 303.409 0.063 50 0 DCAARN Cc1nc(C)n(CCCNC(=O)[C@@H](C)N2CCN(C)CC2)n1 ZINC000426647857 661687334 /nfs/dbraw/zinc/68/73/34/661687334.db2.gz BROJFJZZJIGKIB-GFCCVEGCSA-N 0 0 308.430 0.037 50 0 DCAARN CCOc1cccc(CNC(=O)[C@H]2CCN(C)S2(=O)=O)c1 ZINC000585089614 662947589 /nfs/dbraw/zinc/94/75/89/662947589.db2.gz JIHACYMGBWNKNE-CYBMUJFWSA-N 0 0 312.391 0.735 50 0 DCAARN Cc1nc(S(=O)(=O)N2CCC=C(c3cnn(C)c3)C2)cn1C ZINC000874435023 665175264 /nfs/dbraw/zinc/17/52/64/665175264.db2.gz JRMPYEKDRLLCPS-UHFFFAOYSA-N 0 0 321.406 0.940 50 0 DCAARN CC(=O)NCC(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000011815884 666213971 /nfs/dbraw/zinc/21/39/71/666213971.db2.gz MZISWIMMSHFLKM-CYBMUJFWSA-N 0 0 307.325 0.179 50 0 DCAARN COC(OC)C(=O)N1CCN(C(=O)[C@H](C)CSC)CC1 ZINC000863947860 667196853 /nfs/dbraw/zinc/19/68/53/667196853.db2.gz LDHQOQXLSDFCCJ-SNVBAGLBSA-N 0 0 304.412 0.275 50 0 DCAARN Cn1cc(C(N)=O)cc1C(=O)NC[C@@H](O)c1c(F)cccc1F ZINC000133820492 667483742 /nfs/dbraw/zinc/48/37/42/667483742.db2.gz IQMCSBZDOAGEEH-GFCCVEGCSA-N 0 0 323.299 0.866 50 0 DCAARN CCOC(=O)[C@H]1CSCCN1C(=O)CCc1cnccn1 ZINC000792976008 669695141 /nfs/dbraw/zinc/69/51/41/669695141.db2.gz JULPCCUVDJEISG-GFCCVEGCSA-N 0 0 309.391 0.916 50 0 DCAARN C[C@H]1CC[C@H](NC(=O)NCCc2cnccn2)CS1(=O)=O ZINC000853958865 670508631 /nfs/dbraw/zinc/50/86/31/670508631.db2.gz AOOVFTCZYAGWLM-JQWIXIFHSA-N 0 0 312.395 0.284 50 0 DCAARN COC(=O)[C@](C)(CO)NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC000818027416 670962810 /nfs/dbraw/zinc/96/28/10/670962810.db2.gz PATBZIQWVUEHGF-OTYXRUKQSA-N 0 0 316.354 0.036 50 0 DCAARN Cc1cc(Cc2noc(CN3CCCC[C@H](O)C3=O)n2)no1 ZINC000818384603 671012436 /nfs/dbraw/zinc/01/24/36/671012436.db2.gz LQJVHPVZBJKNRM-NSHDSACASA-N 0 0 306.322 0.830 50 0 DCAARN CCO[C@H](CS(=O)(=O)N1CC[C@@H](c2nnc[nH]2)C1)C1CC1 ZINC000859199816 671081860 /nfs/dbraw/zinc/08/18/60/671081860.db2.gz SMEPGSNFZWFHGI-VXGBXAGGSA-N 0 0 314.411 0.739 50 0 DCAARN CCOc1cc(N2CCO[C@H](CN3CCOCC3)C2)ncn1 ZINC000952992267 685602516 /nfs/dbraw/zinc/60/25/16/685602516.db2.gz CHWYLEQERAUWTI-CYBMUJFWSA-N 0 0 308.382 0.413 50 0 DCAARN CCOc1cc(N2CCN(Cc3cnccn3)CC2)ncn1 ZINC000952963870 685598098 /nfs/dbraw/zinc/59/80/98/685598098.db2.gz MKIARNUSHWQTPO-UHFFFAOYSA-N 0 0 300.366 0.988 50 0 DCAARN CN(C(=O)[C@H]1CCCCCN1C)C1CCS(=O)(=O)CC1 ZINC000952967740 685598775 /nfs/dbraw/zinc/59/87/75/685598775.db2.gz LWNBDHOJKKDLAB-CYBMUJFWSA-N 0 0 302.440 0.896 50 0 DCAARN O=C(CCC(=O)Nc1cccc(F)c1)NCCn1ccnn1 ZINC000952987346 685602599 /nfs/dbraw/zinc/60/25/99/685602599.db2.gz LMOQGMYCLPLSPO-UHFFFAOYSA-N 0 0 305.313 0.952 50 0 DCAARN CCCn1cc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NC)cn1 ZINC000952983086 685601846 /nfs/dbraw/zinc/60/18/46/685601846.db2.gz NXPYQIAWVKBJGI-GFCCVEGCSA-N 0 0 314.411 0.582 50 0 DCAARN Cc1nc(CN2CCC(CNC(=O)c3cnccn3)CC2)no1 ZINC000952981950 685601926 /nfs/dbraw/zinc/60/19/26/685601926.db2.gz NDNAREQAONAJGI-UHFFFAOYSA-N 0 0 316.365 0.810 50 0 DCAARN CC[C@@H]1NC(=O)[C@H]2CN(Cc3cccc(C)n3)CCN2C1=O ZINC000014532227 685047796 /nfs/dbraw/zinc/04/77/96/685047796.db2.gz OHJXAIVOVNRJJY-UONOGXRCSA-N 0 0 302.378 0.311 50 0 DCAARN Nc1cc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)ccn1 ZINC000020706235 685052636 /nfs/dbraw/zinc/05/26/36/685052636.db2.gz PFDULOWUFUCOSF-ZDUSSCGKSA-N 0 0 318.377 0.375 50 0 DCAARN CC(C)n1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cn1 ZINC000077354990 685079771 /nfs/dbraw/zinc/07/97/71/685079771.db2.gz CCRXSCRTQOGNQY-AWEZNQCLSA-N 0 0 316.361 0.996 50 0 DCAARN CCc1nnc(N2CC[C@]3(C2)CCCN(CCO)C3=O)s1 ZINC000091915351 685106914 /nfs/dbraw/zinc/10/69/14/685106914.db2.gz ABQAEPHGWPOZGM-AWEZNQCLSA-N 0 0 310.423 0.912 50 0 DCAARN CCn1cc(CN2C[C@H]3COC[C@@H]2C[N@H+](CC(=O)[O-])C3)cn1 ZINC001772703500 1157842812 /nfs/dbraw/zinc/84/28/12/1157842812.db2.gz XQMWODMLZIBFHY-KBPBESRZSA-N 0 0 308.382 0.120 50 0 DCAARN Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1cnc(C(N)=O)cn1 ZINC001772704096 1157842914 /nfs/dbraw/zinc/84/29/14/1157842914.db2.gz LWUDRWPFVQSZFC-ZETCQYMHSA-N 0 0 302.338 0.417 50 0 DCAARN O=C(c1ccccc1-c1nc[nH]n1)N(CCO)Cc1ncc[nH]1 ZINC001772706089 1157843351 /nfs/dbraw/zinc/84/33/51/1157843351.db2.gz GWAAXISPTOLOMW-UHFFFAOYSA-N 0 0 312.333 0.830 50 0 DCAARN O=C([O-])[C@@]12C[N@H+](CCC(=O)Nc3cccnc3)C[C@@H]1COCC2 ZINC001772712723 1157850719 /nfs/dbraw/zinc/85/07/19/1157850719.db2.gz XFIJPBGHVGAJRA-WBMJQRKESA-N 0 0 319.361 0.833 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3c(O)cccc3O)C[C@H]2O)[nH]n1 ZINC001704299167 1179964695 /nfs/dbraw/zinc/96/46/95/1179964695.db2.gz NORINAXAPXIKFH-QMTHXVAHSA-N 0 0 317.345 0.805 50 0 DCAARN CCCNc1ncc(CN2C[C@@H]3COC[C@H](C2)N(C)C3=O)cn1 ZINC001704305698 1179967794 /nfs/dbraw/zinc/96/77/94/1179967794.db2.gz QTCOBYPVVWZVKW-KGLIPLIRSA-N 0 0 319.409 0.588 50 0 DCAARN O=C([O-])C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccsc1)C2 ZINC001704306617 1179968181 /nfs/dbraw/zinc/96/81/81/1179968181.db2.gz WCMNBBIZFJTROL-JQWIXIFHSA-N 0 0 310.375 0.606 50 0 DCAARN COCCN1C[C@@H](CNC(=O)c2ccc(OC)nc2)CC1=O ZINC001704348356 1179982108 /nfs/dbraw/zinc/98/21/08/1179982108.db2.gz SPTFWVHBIAEWCQ-LLVKDONJSA-N 0 0 307.350 0.315 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cnn(C)c3C)C[C@@H]2O)on1 ZINC001704351118 1179982815 /nfs/dbraw/zinc/98/28/15/1179982815.db2.gz TZFFGRPFOFHOTB-RISCZKNCSA-N 0 0 304.350 0.701 50 0 DCAARN CNC(=O)c1noc(CN(C)Cc2ccc3nonc3c2)n1 ZINC001704357411 1179983859 /nfs/dbraw/zinc/98/38/59/1179983859.db2.gz PAALJPMKBFDSEX-UHFFFAOYSA-N 0 0 302.294 0.597 50 0 DCAARN O=C([C@H]1CC[C@@H](O)CC1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704358591 1179984723 /nfs/dbraw/zinc/98/47/23/1179984723.db2.gz ORVDCQHVLKTBDN-RJZRQDKASA-N 0 0 305.378 0.390 50 0 DCAARN C[C@H]1C(=O)N(C)C[C@H](CO)N1Cc1ccc2c(c1)OCCO2 ZINC000675022095 748028460 /nfs/dbraw/zinc/02/84/60/748028460.db2.gz WJRDZVGAOMCYBK-WCQYABFASA-N 0 0 306.362 0.481 50 0 DCAARN CCc1nc(S(=O)(=O)N[C@H]2CC(=O)N(C(C)C)C2)c[nH]1 ZINC000823484498 758248847 /nfs/dbraw/zinc/24/88/47/758248847.db2.gz LZWZOFXYNORGMN-VIFPVBQESA-N 0 0 300.384 0.260 50 0 DCAARN CN1CCN(S(=O)(=O)NCCCC[C@H]2CCCO2)CC1 ZINC000823791267 758275107 /nfs/dbraw/zinc/27/51/07/758275107.db2.gz PZMIWNDGAAEEPZ-ZDUSSCGKSA-N 0 0 305.444 0.418 50 0 DCAARN Cc1csc([C@@H](C)NS(=O)(=O)N2CCN(C)CC2)n1 ZINC000823791195 758276094 /nfs/dbraw/zinc/27/60/94/758276094.db2.gz CCMTZJGWSPTDRR-SNVBAGLBSA-N 0 0 304.441 0.594 50 0 DCAARN COCCN1C(=O)CN(C2CCN(C(=O)CC3CC3)CC2)C1=O ZINC000824411983 758772672 /nfs/dbraw/zinc/77/26/72/758772672.db2.gz ZKUQIVGJMPXTDI-UHFFFAOYSA-N 0 0 323.393 0.688 50 0 DCAARN COc1cccc(C)c1C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000824792670 758785147 /nfs/dbraw/zinc/78/51/47/758785147.db2.gz RWZFRQGWHUVGIK-UHFFFAOYSA-N 0 0 319.405 0.850 50 0 DCAARN Cc1csc(CNS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000825258235 758800512 /nfs/dbraw/zinc/80/05/12/758800512.db2.gz FLZPMYVRJKLIBS-MRVPVSSYSA-N 0 0 310.422 0.058 50 0 DCAARN Cc1nn(CCNC(=O)CCC2=NNC(=O)CC2)c(C)c1C ZINC000827816248 758886144 /nfs/dbraw/zinc/88/61/44/758886144.db2.gz HEAIIKMFHZYOAJ-UHFFFAOYSA-N 0 0 305.382 0.971 50 0 DCAARN O=S(=O)(NCc1c[nH]nc1-c1ccccc1)N1CCOCC1 ZINC000828388864 759002343 /nfs/dbraw/zinc/00/23/43/759002343.db2.gz SXWLXYHHXFMPBL-UHFFFAOYSA-N 0 0 322.390 0.743 50 0 DCAARN COCCC1(NS(C)(=O)=O)CCN(C(=O)C2CC2)CC1 ZINC000581805335 760253556 /nfs/dbraw/zinc/25/35/56/760253556.db2.gz XYERWGOJHVXKNM-UHFFFAOYSA-N 0 0 304.412 0.343 50 0 DCAARN COCCNC(=O)C1(F)CCN(C(=O)c2cnc(C)cn2)CC1 ZINC000581818683 760256516 /nfs/dbraw/zinc/25/65/16/760256516.db2.gz MXDKIOFGYVVKKN-UHFFFAOYSA-N 0 0 324.356 0.492 50 0 DCAARN CS(=O)(=O)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1 ZINC000585501436 768082806 /nfs/dbraw/zinc/08/28/06/768082806.db2.gz FATSXLVUZAIOEC-UHFFFAOYSA-N 0 0 311.407 0.404 50 0 DCAARN O=C(N[C@@H](CO)C(=O)NC1CCCCC1)c1cccc(F)n1 ZINC000585090303 766278822 /nfs/dbraw/zinc/27/88/22/766278822.db2.gz QPJUNKRNCWELPD-LBPRGKRZSA-N 0 0 309.341 0.760 50 0 DCAARN CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1CCCF ZINC000585116277 766285066 /nfs/dbraw/zinc/28/50/66/766285066.db2.gz ORVNITKKILSTCT-AWEZNQCLSA-N 0 0 306.378 0.934 50 0 DCAARN CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCCCO ZINC000585122170 766287377 /nfs/dbraw/zinc/28/73/77/766287377.db2.gz PHGIHSUDBSFXBG-LBPRGKRZSA-N 0 0 315.414 0.426 50 0 DCAARN O=C(NCCCCO)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC000585122230 766287746 /nfs/dbraw/zinc/28/77/46/766287746.db2.gz RYAUCIJMMXPAKH-WCQYABFASA-N 0 0 321.295 0.686 50 0 DCAARN NS(=O)(=O)N1CCC(NC(=O)c2cccc(Cl)c2)CC1 ZINC000585131216 766292928 /nfs/dbraw/zinc/29/29/28/766292928.db2.gz OXLHXRKBHKGAHD-UHFFFAOYSA-N 0 0 317.798 0.738 50 0 DCAARN Cc1cc(NC(=O)NC(C)(C)CC(N)=O)ccc1-n1cnnn1 ZINC000585138128 766293765 /nfs/dbraw/zinc/29/37/65/766293765.db2.gz PPGBYRIHROYLST-UHFFFAOYSA-N 0 0 317.353 0.746 50 0 DCAARN NS(=O)(=O)N1CCC(CNC(=O)CC2CCCC2)CC1 ZINC000952862685 768922921 /nfs/dbraw/zinc/92/29/21/768922921.db2.gz PKINOHYBEURVPO-UHFFFAOYSA-N 0 0 303.428 0.598 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)NCc1nnc2n1CCC2 ZINC000952868297 768923792 /nfs/dbraw/zinc/92/37/92/768923792.db2.gz IYKPIWODBKODDG-UHFFFAOYSA-N 0 0 313.317 0.449 50 0 DCAARN COC(=O)c1cc(NC(=O)NC[C@H](O)C(F)(F)F)n(C)n1 ZINC000952878853 768941866 /nfs/dbraw/zinc/94/18/66/768941866.db2.gz DISGDDHHBJTYJM-LURJTMIESA-N 0 0 310.232 0.251 50 0 DCAARN CCOc1cc(NCc2nnc3ccc(N(C)C)nn32)ncn1 ZINC000952877751 768942142 /nfs/dbraw/zinc/94/21/42/768942142.db2.gz UXPARHIJSOOVOP-UHFFFAOYSA-N 0 0 314.353 0.991 50 0 DCAARN CO[C@H](CS(=O)(=O)Nc1ccc(OCCO)nc1)C(C)C ZINC000952878555 768942261 /nfs/dbraw/zinc/94/22/61/768942261.db2.gz ARFPIRFZPMPTBJ-GFCCVEGCSA-N 0 0 318.395 0.865 50 0 DCAARN C[C@@H](C(=O)N1CCCC1)N1CCN(c2cc[nH]c(=O)c2)CC1 ZINC000952880757 768947053 /nfs/dbraw/zinc/94/70/53/768947053.db2.gz LLOJHUBBXJPKDP-ZDUSSCGKSA-N 0 0 304.394 0.920 50 0 DCAARN C[C@@H]1CC(C(=O)NCCc2nnc3n2CCNC3=O)C[C@@H](C)C1 ZINC000952882155 768948858 /nfs/dbraw/zinc/94/88/58/768948858.db2.gz JAOXSWPHDNFYDD-QWRGUYRKSA-N 0 0 319.409 0.753 50 0 DCAARN CCn1ncnc1CN1CC[C@@]2(C(=O)[O-])CCC[N@H+](C)[C@@H]2C1 ZINC001529098438 1014493544 /nfs/dbraw/zinc/49/35/44/1014493544.db2.gz FYUDLSJOBUJPDS-DOMZBBRYSA-N 0 0 307.398 0.669 50 0 DCAARN CCNC(=O)c1ccc(NC[C@@H]2CC(=O)N(CCOC)C2)nc1 ZINC001529113726 1014498575 /nfs/dbraw/zinc/49/85/75/1014498575.db2.gz IHVQEUNLMISGGU-LBPRGKRZSA-N 0 0 320.393 0.738 50 0 DCAARN CN(C)S(=O)(=O)C[C@@H]1CN(c2ncccc2Cl)C[C@H]1O ZINC001529134126 1014502865 /nfs/dbraw/zinc/50/28/65/1014502865.db2.gz WUTRPLCYPYMVJG-GXSJLCMTSA-N 0 0 319.814 0.424 50 0 DCAARN Cc1cc(C)n(CC(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)n1 ZINC001529196773 1014518434 /nfs/dbraw/zinc/51/84/34/1014518434.db2.gz HGXDZFKBSNWMNJ-UKRRQHHQSA-N 0 0 315.377 0.352 50 0 DCAARN COCC1CCN(S(=O)(=O)N2CCC[C@H](COC)C2)CC1 ZINC001529196683 1014519865 /nfs/dbraw/zinc/51/98/65/1014519865.db2.gz DIFLRIOVEJOOMC-AWEZNQCLSA-N 0 0 320.455 0.948 50 0 DCAARN CC(=O)N1CCN(c2nnc(C)c3ccccc32)C[C@@H](O)C1 ZINC001506414638 1017264083 /nfs/dbraw/zinc/26/40/83/1017264083.db2.gz RMQQZLBQAJCBLC-ZDUSSCGKSA-N 0 0 300.362 0.968 50 0 DCAARN Cc1cc(N)n(CC(=O)N2CCN(Cc3ccco3)CC2)n1 ZINC001506420434 1017266892 /nfs/dbraw/zinc/26/68/92/1017266892.db2.gz GJMLDSWZHCQSTP-UHFFFAOYSA-N 0 0 303.366 0.711 50 0 DCAARN CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1c[nH]c(=O)cn1 ZINC001506431434 1017272281 /nfs/dbraw/zinc/27/22/81/1017272281.db2.gz KAMJYWZFXRDOBJ-SNVBAGLBSA-N 0 0 306.366 0.489 50 0 DCAARN Cn1ccnc1CCN1CCN(CC(=O)NC(C)(C)C)CC1 ZINC001506405587 1017255624 /nfs/dbraw/zinc/25/56/24/1017255624.db2.gz AMSLJKSPMMADKJ-UHFFFAOYSA-N 0 0 307.442 0.495 50 0 DCAARN CCN1CC2(CC1=O)CCN(C(=O)CCc1nnc(C)[nH]1)CC2 ZINC000095501496 185375222 /nfs/dbraw/zinc/37/52/22/185375222.db2.gz CFAWFPHPRZOEQU-UHFFFAOYSA-N 0 0 319.409 0.907 50 0 DCAARN COc1cccn(CC(=O)N(C)CCCn2cccn2)c1=O ZINC000095520987 185377603 /nfs/dbraw/zinc/37/76/03/185377603.db2.gz KBYGRDRAWMDZRN-UHFFFAOYSA-N 0 0 304.350 0.602 50 0 DCAARN CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCCc2nonc2C(=O)[O-])C1 ZINC000095528616 185378476 /nfs/dbraw/zinc/37/84/76/185378476.db2.gz IECVLHSDEGBJGC-LLVKDONJSA-N 0 0 324.381 0.937 50 0 DCAARN COc1cccn(CC(=O)N(C)CCN2CCCCC2=O)c1=O ZINC000095527206 185378634 /nfs/dbraw/zinc/37/86/34/185378634.db2.gz HPSCSVULZQBDDB-UHFFFAOYSA-N 0 0 321.377 0.328 50 0 DCAARN COc1cc(/C=C\C(=O)N2CCNC(=O)C2)cc(OC)c1OC ZINC000096639880 185384751 /nfs/dbraw/zinc/38/47/51/185384751.db2.gz UEGPFBAXEXOTQV-PLNGDYQASA-N 0 0 320.345 0.684 50 0 DCAARN Cc1nsc(N2CCN(CC(=O)NCc3ccco3)CC2)n1 ZINC000078970436 185137401 /nfs/dbraw/zinc/13/74/01/185137401.db2.gz MOPOJFXIDZHYTA-UHFFFAOYSA-N 0 0 321.406 0.878 50 0 DCAARN NC(=O)c1cc(CNS(=O)(=O)c2ccc(F)c(F)c2)on1 ZINC000079099717 185158285 /nfs/dbraw/zinc/15/82/85/185158285.db2.gz QFGDZGYNZLXQDV-UHFFFAOYSA-N 0 0 317.273 0.530 50 0 DCAARN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CC(=O)N(C)Cc1ccco1 ZINC000079100392 185158295 /nfs/dbraw/zinc/15/82/95/185158295.db2.gz LTRRBBIPDHUVDD-RYUDHWBXSA-N 0 0 316.423 0.991 50 0 DCAARN C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(CCO)CC1 ZINC000096806836 185388885 /nfs/dbraw/zinc/38/88/85/185388885.db2.gz DOUWVGZLCPQUFT-AWEZNQCLSA-N 0 0 303.406 0.574 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCN(c3cnccn3)CC2)on1 ZINC000096839889 185389129 /nfs/dbraw/zinc/38/91/29/185389129.db2.gz QWOGZCPBNMRUHR-GFCCVEGCSA-N 0 0 316.365 0.922 50 0 DCAARN CN(C)[C@H](CNC(=O)[C@H]1CCC(=O)N1)c1c(F)cccc1F ZINC000079363159 185167216 /nfs/dbraw/zinc/16/72/16/185167216.db2.gz OTBPEGPDEOGYOF-VXGBXAGGSA-N 0 0 311.332 0.962 50 0 DCAARN O=C1N=NC(CSc2nnnn2C[C@@H]2CCCO2)S1 ZINC000328593177 231234104 /nfs/dbraw/zinc/23/41/04/231234104.db2.gz QLEQWVQTIXKUND-LURJTMIESA-N 0 0 300.369 0.702 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)N(C)[C@@H](CO)C(C)(C)C)[C@@H](C)CO1 ZINC000225444097 201710111 /nfs/dbraw/zinc/71/01/11/201710111.db2.gz JUUIDQXZIVHUNP-TUAOUCFPSA-N 0 0 308.444 0.679 50 0 DCAARN Cn1ncc2c1nccc2NCC1(OCCO)CCOCC1 ZINC000286583858 219066157 /nfs/dbraw/zinc/06/61/57/219066157.db2.gz WKUQRKBHUBRTRC-UHFFFAOYSA-N 0 0 306.366 0.938 50 0 DCAARN CCOC(=O)[C@H](C)CNS(=O)(=O)c1cc(C)cnc1N ZINC000089978093 185273236 /nfs/dbraw/zinc/27/32/36/185273236.db2.gz WTEFFUKQSBAWTE-SECBINFHSA-N 0 0 301.368 0.450 50 0 DCAARN CN(C)[C@@H]1C[C@@H](C(=O)[O-])[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000097679819 282227745 /nfs/dbraw/zinc/22/77/45/282227745.db2.gz INVNXHUZPAAYSC-OLZOCXBDSA-N 0 0 316.365 0.456 50 0 DCAARN CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)CO)CC1 ZINC000082096759 192354735 /nfs/dbraw/zinc/35/47/35/192354735.db2.gz KWJSCIAAHBEESB-UHFFFAOYSA-N 0 0 321.425 0.592 50 0 DCAARN CCCCS(=O)(=O)C(=C1NCCN1)S(=O)(=O)CCCC ZINC000003191172 545641146 /nfs/dbraw/zinc/64/11/46/545641146.db2.gz JFWYGEPOIVXZMN-UHFFFAOYSA-N 0 0 324.468 0.736 50 0 DCAARN COC(=O)N[C@H](C)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000082120122 192357801 /nfs/dbraw/zinc/35/78/01/192357801.db2.gz GGJZIBZHMIJNRV-LLVKDONJSA-N 0 0 305.334 0.606 50 0 DCAARN CC[C@@H](C)[C@H](NC(=O)CSc1nnc(N)s1)C(=O)OC ZINC000008066754 190630209 /nfs/dbraw/zinc/63/02/09/190630209.db2.gz USOHNYXZPMRDRX-SVRRBLITSA-N 0 0 318.424 0.916 50 0 DCAARN O=C(NC(=S)N[C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000012343493 190635441 /nfs/dbraw/zinc/63/54/41/190635441.db2.gz FFQAHLPBLNHMKN-JTQLQIEISA-N 0 0 304.437 0.745 50 0 DCAARN COc1ccc(OCC(=O)N2CC[C@@]3(CC(=O)NC3=O)C2)cc1 ZINC000082145650 192362406 /nfs/dbraw/zinc/36/24/06/192362406.db2.gz UKVOCZLXTRDXQZ-MRXNPFEDSA-N 0 0 318.329 0.339 50 0 DCAARN CCOc1cncc(N2CCN(Cc3nc(C)no3)CC2)n1 ZINC000095425648 185361654 /nfs/dbraw/zinc/36/16/54/185361654.db2.gz HPVLDXRSDWOGNG-UHFFFAOYSA-N 0 0 304.354 0.889 50 0 DCAARN CCCN(C(=O)NC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000095444203 185367015 /nfs/dbraw/zinc/36/70/15/185367015.db2.gz SMBQWWMNYZGBIP-NWDGAFQWSA-N 0 0 304.412 0.774 50 0 DCAARN CCn1cnnc1CNC(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000095459414 185370635 /nfs/dbraw/zinc/37/06/35/185370635.db2.gz QBIXMSDEXBBUFA-LLVKDONJSA-N 0 0 309.370 0.783 50 0 DCAARN CCOC(=O)c1cc(S(=O)(=O)NC2(CO)CC2)ccc1F ZINC000095461900 185370942 /nfs/dbraw/zinc/37/09/42/185370942.db2.gz TWWUKNHRPGONRB-UHFFFAOYSA-N 0 0 317.338 0.806 50 0 DCAARN C[C@H]1C[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CC(=O)N1 ZINC000095468810 185372447 /nfs/dbraw/zinc/37/24/47/185372447.db2.gz LXFNSLNOLZLHKA-RYUDHWBXSA-N 0 0 319.361 0.479 50 0 DCAARN COC(=O)CN(C)C(=O)c1ccc(Cn2ccccc2=O)o1 ZINC000225500294 201722528 /nfs/dbraw/zinc/72/25/28/201722528.db2.gz RWEUEPBWDAPLDN-UHFFFAOYSA-N 0 0 304.302 0.735 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)NC(C)(C)CCO)C1 ZINC000330729347 232024745 /nfs/dbraw/zinc/02/47/45/232024745.db2.gz HJDPDNZRZOURIQ-NSHDSACASA-N 0 0 306.428 0.325 50 0 DCAARN CCNC(=O)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000058342625 190692216 /nfs/dbraw/zinc/69/22/16/190692216.db2.gz DYIQEMLVQCWNKZ-UHFFFAOYSA-N 0 0 318.782 0.366 50 0 DCAARN NC(=O)[C@@H](c1ccccc1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000229803184 201849429 /nfs/dbraw/zinc/84/94/29/201849429.db2.gz NNDSEDFROSCVEB-ZIAGYGMSSA-N 0 0 301.350 0.206 50 0 DCAARN C[C@@H](C(=O)N1CCCN(c2cccnn2)CC1)n1cccn1 ZINC000069877310 190832500 /nfs/dbraw/zinc/83/25/00/190832500.db2.gz VFOXUAYFMPDYFN-ZDUSSCGKSA-N 0 0 300.366 0.973 50 0 DCAARN Cn1c(Oc2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000097445 282585544 /nfs/dbraw/zinc/58/55/44/282585544.db2.gz PWVWOSNJQCSDQE-UHFFFAOYSA-N 0 0 304.281 0.902 50 0 biogenic DCAARN CCS(=O)(=O)CCSc1nnc(-c2ccco2)n1N ZINC000070013189 190849224 /nfs/dbraw/zinc/84/92/24/190849224.db2.gz BBTGUVXMPCWXFZ-UHFFFAOYSA-N 0 0 302.381 0.779 50 0 DCAARN Cn1c2nc3n(c2c(=O)[nH]c1=O)CCCN3Cc1ccccc1 ZINC000005248873 282608689 /nfs/dbraw/zinc/60/86/89/282608689.db2.gz XAVUIVRAQYFZAV-UHFFFAOYSA-N 0 0 311.345 0.834 50 0 DCAARN COc1ccc(Cl)cc1NC(=O)c1c[nH]c(=O)n(C)c1=O ZINC000070634684 190908611 /nfs/dbraw/zinc/90/86/11/190908611.db2.gz KOKOXOHPIWVDQI-UHFFFAOYSA-N 0 0 309.709 0.988 50 0 DCAARN O=C(NCC1(O)CCOCC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000070639005 190908826 /nfs/dbraw/zinc/90/88/26/190908826.db2.gz IGKOFXGFFRQOPS-UHFFFAOYSA-N 0 0 314.288 0.561 50 0 DCAARN CNS(=O)(=O)c1ccc(CN(C)[C@@H](C)C(=O)N(C)C)cc1 ZINC000071760824 191025986 /nfs/dbraw/zinc/02/59/86/191025986.db2.gz VMHZGIWTKYPVAE-NSHDSACASA-N 0 0 313.423 0.503 50 0 DCAARN CNC(=O)[C@@H](C)N(C)C(=O)c1cc2c(n(C)c1=O)CCCC2 ZINC000071770940 191030264 /nfs/dbraw/zinc/03/02/64/191030264.db2.gz CUCNDXDOEQZYAP-SNVBAGLBSA-N 0 0 305.378 0.471 50 0 DCAARN CNc1nc(C(=O)N2CCNC[C@@H]2C(=O)N2CCCC2)cs1 ZINC000072138820 191047604 /nfs/dbraw/zinc/04/76/04/191047604.db2.gz FUEVFNFNSPLHQT-LLVKDONJSA-N 0 0 323.422 0.221 50 0 DCAARN Cc1cc2c(cc1C(=O)N1CCC[C@](O)(CO)C1)OCCO2 ZINC000072139020 191048393 /nfs/dbraw/zinc/04/83/93/191048393.db2.gz BMUYUJBDAFFOOK-MRXNPFEDSA-N 0 0 307.346 0.726 50 0 DCAARN Cc1c(C(=O)N2CCC[C@@](O)(CO)CC2)cnc2ccnn21 ZINC000072128397 191042459 /nfs/dbraw/zinc/04/24/59/191042459.db2.gz JESHYWKFKDNPPQ-HNNXBMFYSA-N 0 0 304.350 0.387 50 0 DCAARN CCc1c(C)cc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c(=O)n1C ZINC000072133643 191044478 /nfs/dbraw/zinc/04/44/78/191044478.db2.gz NTEPRRICDCNBCP-RISCZKNCSA-N 0 0 308.378 0.071 50 0 DCAARN Cc1ccc(-c2nnc(CN3CC[C@H](CO)[C@@H](O)C3)o2)n1C ZINC000072144905 191050567 /nfs/dbraw/zinc/05/05/67/191050567.db2.gz GKQORPNMYVZRIL-YPMHNXCESA-N 0 0 306.366 0.559 50 0 DCAARN COc1cc(C)sc1C(=O)N1CCNC[C@@H]1C(=O)NC1CC1 ZINC000072153900 191057317 /nfs/dbraw/zinc/05/73/17/191057317.db2.gz AUZRDLFFVWIEIA-LLVKDONJSA-N 0 0 323.418 0.758 50 0 DCAARN Cc1nc(C)n([C@H]2CCCN(C(=O)CCn3cncn3)C2)n1 ZINC000072235359 191080774 /nfs/dbraw/zinc/08/07/74/191080774.db2.gz QTOTURSJWFVQSE-ZDUSSCGKSA-N 0 0 303.370 0.740 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC000072268874 191091663 /nfs/dbraw/zinc/09/16/63/191091663.db2.gz DBDDHCLMEKKIRT-AWEZNQCLSA-N 0 0 305.378 0.314 50 0 DCAARN Cn1ccnc1CN1CCCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000072279607 191099384 /nfs/dbraw/zinc/09/93/84/191099384.db2.gz RWATUCYJAQJRBY-UHFFFAOYSA-N 0 0 315.377 0.457 50 0 DCAARN CCCS(=O)(=O)[C@H](C)C(=O)N[C@@H]1CCc2nc(C)cn2C1 ZINC000072279108 191099560 /nfs/dbraw/zinc/09/95/60/191099560.db2.gz IWGXCURBXBIFGP-VXGBXAGGSA-N 0 0 313.423 0.836 50 0 DCAARN CN(C)c1cc(C(F)(F)F)nc(-n2cnnc2[S@](C)=O)n1 ZINC000072284937 191103501 /nfs/dbraw/zinc/10/35/01/191103501.db2.gz CMGVOAQHNXJJSV-OAQYLSRUSA-N 0 0 320.300 0.880 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000072294610 191110979 /nfs/dbraw/zinc/11/09/79/191110979.db2.gz JCMQSQHTNXXGOG-AWEZNQCLSA-N 0 0 305.378 0.092 50 0 DCAARN Cc1ccccc1CNC(=O)CN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000072293999 191110207 /nfs/dbraw/zinc/11/02/07/191110207.db2.gz PBLBXQKQFMNNKD-AWEZNQCLSA-N 0 0 324.446 0.978 50 0 DCAARN CC[C@H](C(=O)NCc1ccc(S(N)(=O)=O)s1)C(=O)OC ZINC000225619830 186283843 /nfs/dbraw/zinc/28/38/43/186283843.db2.gz UUKHKKSXAPGASY-MRVPVSSYSA-N 0 0 320.392 0.211 50 0 DCAARN COc1cc(=O)n(C)cc1C(=O)NCc1csc2ncnn12 ZINC000225651600 186286562 /nfs/dbraw/zinc/28/65/62/186286562.db2.gz XFBYAXWYYIHILZ-UHFFFAOYSA-N 0 0 319.346 0.428 50 0 DCAARN COc1cc(=O)n(C)cc1C(=O)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 ZINC000253397733 186305332 /nfs/dbraw/zinc/30/53/32/186305332.db2.gz FYIRRHNZUPQERG-QKCSRTOESA-N 0 0 322.361 0.460 50 0 DCAARN O=C(NCCn1nnc2ccc(F)cc2c1=O)c1ccncc1 ZINC000253403905 186307504 /nfs/dbraw/zinc/30/75/04/186307504.db2.gz QQQKAROFDMGTQM-UHFFFAOYSA-N 0 0 313.292 0.756 50 0 DCAARN Cc1nccn1-c1ccc(CNC(=O)C(=O)N2CCCC2)cn1 ZINC000253408007 186308431 /nfs/dbraw/zinc/30/84/31/186308431.db2.gz RWBVFHVNQKAXQJ-UHFFFAOYSA-N 0 0 313.361 0.814 50 0 DCAARN COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccncc1 ZINC000008581643 290926048 /nfs/dbraw/zinc/92/60/48/290926048.db2.gz DKEZNBUOSFVVEK-LLVKDONJSA-N 0 0 313.313 0.946 50 0 DCAARN Cc1nnc(SCCNC(=O)[C@@H]2NCCc3nc[nH]c32)s1 ZINC000072429579 191163062 /nfs/dbraw/zinc/16/30/62/191163062.db2.gz VNLYRUSVBOPQNK-SNVBAGLBSA-N 0 0 324.435 0.665 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000000116667 180698155 /nfs/dbraw/zinc/69/81/55/180698155.db2.gz QNZLATVJYWFPRS-UHFFFAOYSA-N 0 0 310.379 0.756 50 0 DCAARN CCOc1ccc(-n2cnnn2)cc1S(=O)(=O)NC1CC1 ZINC000000116928 180698194 /nfs/dbraw/zinc/69/81/94/180698194.db2.gz ZWXODUONYXSUBY-UHFFFAOYSA-N 0 0 309.351 0.502 50 0 DCAARN O=C1CN(S(=O)(=O)c2ccc3ccccc3c2)CC(=O)N1 ZINC000000296886 180750852 /nfs/dbraw/zinc/75/08/52/180750852.db2.gz WNVKTANLYUJGHX-UHFFFAOYSA-N 0 0 304.327 0.487 50 0 DCAARN Cn1ncc2c1nc(N1CCOCC1)nc2N1CCOCC1 ZINC000004375046 282843758 /nfs/dbraw/zinc/84/37/58/282843758.db2.gz XWEVIHCGDOCMTA-UHFFFAOYSA-N 0 0 304.354 0.037 50 0 DCAARN CCC1(C(=O)NCC(=O)NCc2ccc(OC)cc2)COC1 ZINC000084735406 545702988 /nfs/dbraw/zinc/70/29/88/545702988.db2.gz QJDLFPNUHOXMOT-UHFFFAOYSA-N 0 0 306.362 0.854 50 0 DCAARN CCN1CCO[C@H](CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000000541692 180817778 /nfs/dbraw/zinc/81/77/78/180817778.db2.gz YQTMGAMMIKDXOD-CYBMUJFWSA-N 0 0 306.318 0.991 50 0 DCAARN CC(C)OCCCNC(=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000001794352 180896574 /nfs/dbraw/zinc/89/65/74/180896574.db2.gz DSCQEUMHZZNDAG-UHFFFAOYSA-N 0 0 322.361 0.963 50 0 DCAARN CCOc1ccc([C@H]2NC(=O)N(CC(=O)N(C)C)C2=O)cc1 ZINC000002645082 180943462 /nfs/dbraw/zinc/94/34/62/180943462.db2.gz RKIWEWOOGUJFBG-CYBMUJFWSA-N 0 0 305.334 0.766 50 0 DCAARN Cc1nn(C)c(C(=O)NN2CCOCC2)c1Br ZINC000002775120 180954998 /nfs/dbraw/zinc/95/49/98/180954998.db2.gz RWYFMCJXAVUJIE-UHFFFAOYSA-N 0 0 303.160 0.468 50 0 DCAARN CCn1cc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cn1 ZINC000002804502 180960079 /nfs/dbraw/zinc/96/00/79/180960079.db2.gz XEEMFKBWDXOVDG-UHFFFAOYSA-N 0 0 314.411 0.191 50 0 DCAARN C[C@H]1CN=C(N2CCN(C(=O)CNCC(F)(F)F)CC2)S1 ZINC000073118463 191279817 /nfs/dbraw/zinc/27/98/17/191279817.db2.gz LOEDXWKEIQTIKC-VIFPVBQESA-N 0 0 324.372 0.774 50 0 DCAARN COC(=O)[C@@H]1SC[C@H]2C(=O)N(Cc3ccccc3)CC(=O)N21 ZINC000003048332 180978874 /nfs/dbraw/zinc/97/88/74/180978874.db2.gz VCXUJZJMURAMLH-FZMZJTMJSA-N 0 0 320.370 0.472 50 0 DCAARN NC(=O)C1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000003288711 181000982 /nfs/dbraw/zinc/00/09/82/181000982.db2.gz GBXVVBDNHIULJN-UHFFFAOYSA-N 0 0 319.361 0.594 50 0 DCAARN C[C@@H](OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(N)=O ZINC000003384621 181014051 /nfs/dbraw/zinc/01/40/51/181014051.db2.gz JIOGZEOVYLXYPQ-ZCFIWIBFSA-N 0 0 305.739 0.774 50 0 DCAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000003421132 181017531 /nfs/dbraw/zinc/01/75/31/181017531.db2.gz QMDKKHGUBRFSRF-UHFFFAOYSA-N 0 0 310.375 0.742 50 0 DCAARN NC(=O)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1 ZINC000003618060 181041271 /nfs/dbraw/zinc/04/12/71/181041271.db2.gz NDEZLCREBKNQIP-UHFFFAOYSA-N 0 0 323.312 0.529 50 0 DCAARN NC(=O)c1ccccc1OCC(=O)NC(=O)NCc1ccco1 ZINC000004341282 181100152 /nfs/dbraw/zinc/10/01/52/181100152.db2.gz KQZAFNFTNWTYQG-UHFFFAOYSA-N 0 0 317.301 0.783 50 0 DCAARN CCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000004821484 181156505 /nfs/dbraw/zinc/15/65/05/181156505.db2.gz RKEDSJXDPXDTFL-UHFFFAOYSA-N 0 0 312.391 0.766 50 0 DCAARN C[C@@H](CO)NC(=O)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000075110624 191421036 /nfs/dbraw/zinc/42/10/36/191421036.db2.gz IJIMNPFTARPTHH-NSHDSACASA-N 0 0 302.334 0.367 50 0 DCAARN O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CSCCC(=O)N1 ZINC000075171035 191437825 /nfs/dbraw/zinc/43/78/25/191437825.db2.gz HEZUDXGYRFYOPJ-LLVKDONJSA-N 0 0 318.362 0.223 50 0 DCAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C=O)CC1 ZINC000005427618 181242098 /nfs/dbraw/zinc/24/20/98/181242098.db2.gz WTYDKTSLGJMHDY-AWEZNQCLSA-N 0 0 319.361 0.254 50 0 DCAARN Cc1ccc(-c2nnn(CC(=O)NC[C@@H]3CCCO3)n2)cc1 ZINC000005491881 181249373 /nfs/dbraw/zinc/24/93/73/181249373.db2.gz JIYUEEVLLJCOBY-ZDUSSCGKSA-N 0 0 301.350 0.944 50 0 DCAARN COC(=O)C1CCN(C(=O)CSc2nnc(N)s2)CC1 ZINC000005636470 181266735 /nfs/dbraw/zinc/26/67/35/181266735.db2.gz FOMIDOINGSVUTP-UHFFFAOYSA-N 0 0 316.408 0.624 50 0 DCAARN CN1C[C@@]2(CCN(C(=O)c3cnc4cccnn43)C2)OC1=O ZINC000072153396 283223804 /nfs/dbraw/zinc/22/38/04/283223804.db2.gz NZVOQDWXPDMVLY-CQSZACIVSA-N 0 0 301.306 0.396 50 0 DCAARN CN1C[C@H](COC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CC1=O ZINC000095459249 283233546 /nfs/dbraw/zinc/23/35/46/283233546.db2.gz PJOOWHIGGACNQQ-BFVZDQMLSA-N 0 0 312.391 0.462 50 0 DCAARN COCCCS(=O)(=O)N1CCN(Cc2csnn2)CC1 ZINC000180751970 199204525 /nfs/dbraw/zinc/20/45/25/199204525.db2.gz HSVPJYUXKQVINI-UHFFFAOYSA-N 0 0 320.440 0.022 50 0 DCAARN CC(=O)NCc1ccc(S(=O)(=O)N2CCN[C@H](C)C2)s1 ZINC000237525362 202271602 /nfs/dbraw/zinc/27/16/02/202271602.db2.gz VJZSNWGFKXOOFY-SECBINFHSA-N 0 0 317.436 0.367 50 0 DCAARN Cc1cnn(-c2ccc(S(=O)(=O)N3CCNCC3)cc2F)c1 ZINC000237921514 202391137 /nfs/dbraw/zinc/39/11/37/202391137.db2.gz ZIDLBHOWYYWLDT-UHFFFAOYSA-N 0 0 324.381 0.914 50 0 DCAARN O=C1NC[C@@H]2CN(Cc3cc(F)ccc3Cl)CCN2C1=O ZINC000189114241 200351362 /nfs/dbraw/zinc/35/13/62/200351362.db2.gz FLIHZRMMWOYLDS-LLVKDONJSA-N 0 0 311.744 0.622 50 0 DCAARN CSc1nc2n(n1)[C@@H](c1cnn(C)c1)C(C(N)=O)=C(C)N2 ZINC000006263517 181324384 /nfs/dbraw/zinc/32/43/84/181324384.db2.gz HPSTVVGYNLUITN-VIFPVBQESA-N 0 0 305.367 0.508 50 0 DCAARN O=c1[nH]c2ccccc2c(=O)n1NC(=S)NCc1ccco1 ZINC000006315954 181329311 /nfs/dbraw/zinc/32/93/11/181329311.db2.gz ARLPOLMPYUJXNW-UHFFFAOYSA-N 0 0 316.342 0.901 50 0 DCAARN CCn1ncnc1[C@@H](NC(=O)Cn1nc(C)cc1N)C1CC1 ZINC000244734957 202494013 /nfs/dbraw/zinc/49/40/13/202494013.db2.gz NQNWOTGKLPZVAS-ZDUSSCGKSA-N 0 0 303.370 0.653 50 0 DCAARN O=C(CCn1cnnn1)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000244811786 202500589 /nfs/dbraw/zinc/50/05/89/202500589.db2.gz SLEXWGRCJZYAOC-KKUMJFAQSA-N 0 0 315.377 0.562 50 0 DCAARN CCNC(=O)NC(=O)[C@@H](Sc1nnnn1C)c1ccccc1 ZINC000006589954 181358538 /nfs/dbraw/zinc/35/85/38/181358538.db2.gz USBJJAWZEVXXAU-JTQLQIEISA-N 0 0 320.378 0.889 50 0 DCAARN O=C(Nc1ccnc(=O)[nH]1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000006661983 181367334 /nfs/dbraw/zinc/36/73/34/181367334.db2.gz DNBTTXJPROHPAD-UHFFFAOYSA-N 0 0 311.301 0.891 50 0 DCAARN CC(=O)c1ccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000006670141 181368797 /nfs/dbraw/zinc/36/87/97/181368797.db2.gz IZZYPRKFRXGQRS-NWDGAFQWSA-N 0 0 310.400 0.749 50 0 DCAARN O=C1SCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000006667865 181367890 /nfs/dbraw/zinc/36/78/90/181367890.db2.gz NQZTUBNGXAWHEJ-VIFPVBQESA-N 0 0 315.372 0.768 50 0 DCAARN Cn1nc(C2CCN(S(C)(=O)=O)CC2)n(C2CC2)c1=O ZINC000207957176 201433630 /nfs/dbraw/zinc/43/36/30/201433630.db2.gz QQLAKTOGNUABMV-UHFFFAOYSA-N 0 0 300.384 0.056 50 0 DCAARN C[C@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C[C@H](C)O1 ZINC000006746861 181381777 /nfs/dbraw/zinc/38/17/77/181381777.db2.gz HWBZRVAMLBYFMJ-QWRGUYRKSA-N 0 0 323.378 0.460 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)NCc2cccnc2)cn1C ZINC000006781071 181387402 /nfs/dbraw/zinc/38/74/02/181387402.db2.gz KTHLNGPWIGFXCU-UHFFFAOYSA-N 0 0 309.347 0.685 50 0 DCAARN Cc1ccnn1CC(=O)N1NC(C(F)F)=C[C@]1(O)C(F)F ZINC000006789992 181388824 /nfs/dbraw/zinc/38/88/24/181388824.db2.gz DNEVYNDWTKTTJM-NSHDSACASA-N 0 0 308.235 0.999 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)cc1C ZINC000006826023 181395617 /nfs/dbraw/zinc/39/56/17/181395617.db2.gz HNSSEIUUHCVWDR-LLVKDONJSA-N 0 0 312.391 0.890 50 0 DCAARN Cc1cn(CCNC(=O)[C@H]2CC(=O)Nc3ccc(F)cc32)nn1 ZINC000091595483 193077829 /nfs/dbraw/zinc/07/78/29/193077829.db2.gz FRISRXXAPJKIAA-LBPRGKRZSA-N 0 0 317.324 0.968 50 0 DCAARN CCn1nc(C)c(CCNC(=O)CC[C@H]2NC(=O)NC2=O)c1C ZINC000091643704 193084030 /nfs/dbraw/zinc/08/40/30/193084030.db2.gz ANBFHSDRZPHXKH-GFCCVEGCSA-N 0 0 321.381 0.167 50 0 DCAARN COCCc1nc(CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)no1 ZINC000091656366 193085591 /nfs/dbraw/zinc/08/55/91/193085591.db2.gz DLPBPHZAWIMZTR-JTQLQIEISA-N 0 0 324.381 0.522 50 0 DCAARN COCC[C@]1(O)CCN(C(=O)Cn2ccccc2=O)C[C@H]1C ZINC000091665368 193088282 /nfs/dbraw/zinc/08/82/82/193088282.db2.gz MUPQEIGTYJKEHK-CZUORRHYSA-N 0 0 308.378 0.484 50 0 DCAARN CN1CCN(C(=O)c2ccc(CO)o2)C[C@@]12CCNC(=O)CC2 ZINC000091693920 193093134 /nfs/dbraw/zinc/09/31/34/193093134.db2.gz CGJJRHKDKMUBHQ-MRXNPFEDSA-N 0 0 321.377 0.198 50 0 DCAARN COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccn(C)n1)C2 ZINC000091707401 193094773 /nfs/dbraw/zinc/09/47/73/193094773.db2.gz MYYBQIRDBBLZAR-NWDGAFQWSA-N 0 0 306.366 0.130 50 0 DCAARN O=C1CC[C@@H](c2nc(CN3CCOCC3)no2)CN1C1CC1 ZINC000091848948 193116652 /nfs/dbraw/zinc/11/66/52/193116652.db2.gz QIGZYXVMRBYQGD-LLVKDONJSA-N 0 0 306.366 0.770 50 0 DCAARN NC(=O)c1cccc(C[C@H]2CCN(C(=O)C3(CO)CC3)C2)c1 ZINC000091845661 193117212 /nfs/dbraw/zinc/11/72/12/193117212.db2.gz MBSJEKBYXBVYGQ-CYBMUJFWSA-N 0 0 302.374 0.949 50 0 DCAARN CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)CO)CC1 ZINC000091876532 193122287 /nfs/dbraw/zinc/12/22/87/193122287.db2.gz ZYYQVLMIZXGATI-UHFFFAOYSA-N 0 0 318.381 0.241 50 0 DCAARN Cc1nonc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 ZINC000219403293 201556432 /nfs/dbraw/zinc/55/64/32/201556432.db2.gz FYBKJGOYQLEKEJ-CHWSQXEVSA-N 0 0 318.333 0.877 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1c[nH]c(=O)[nH]1 ZINC000222787823 201622314 /nfs/dbraw/zinc/62/23/14/201622314.db2.gz RZJQLTBNHBSYKH-TZMCWYRMSA-N 0 0 317.345 0.807 50 0 DCAARN O=C(CCCn1cncn1)NCc1ccccc1-n1cncn1 ZINC000222253757 201606525 /nfs/dbraw/zinc/60/65/25/201606525.db2.gz BCXAPPIFZPMSGN-UHFFFAOYSA-N 0 0 311.349 0.955 50 0 DCAARN C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nncn1C ZINC000222931175 201627837 /nfs/dbraw/zinc/62/78/37/201627837.db2.gz DRPFGVWPJYRROD-JTQLQIEISA-N 0 0 312.333 0.402 50 0 DCAARN COCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2C ZINC000252482035 202838303 /nfs/dbraw/zinc/83/83/03/202838303.db2.gz CWZUGBAQUZKYHU-UHFFFAOYSA-N 0 0 312.391 0.910 50 0 DCAARN O=C(NC1CCCCCCC1)c1cc2n(n1)C[C@@H](O)CNC2=O ZINC000252486659 202844677 /nfs/dbraw/zinc/84/46/77/202844677.db2.gz HOBKKZLALSIQGK-LBPRGKRZSA-N 0 0 320.393 0.830 50 0 DCAARN CCO[C@H](C)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 ZINC000252487984 202845169 /nfs/dbraw/zinc/84/51/69/202845169.db2.gz IGHCOXIQSDQKNC-SNVBAGLBSA-N 0 0 307.350 0.526 50 0 DCAARN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2C(=O)c2ccnn2C)O1 ZINC000252508616 202860577 /nfs/dbraw/zinc/86/05/77/202860577.db2.gz XPWQFYDZPXZYHD-XEZLXBQYSA-N 0 0 307.350 0.744 50 0 DCAARN CCCNC(=O)[C@H](C)NC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000007627943 181480470 /nfs/dbraw/zinc/48/04/70/181480470.db2.gz FNRRKVKDXDHWIT-JTQLQIEISA-N 0 0 312.391 0.735 50 0 DCAARN Cc1ncc(S(C)(=O)=O)c(NC[C@@H]2COCCN(C)C2)n1 ZINC000095363215 193431944 /nfs/dbraw/zinc/43/19/44/193431944.db2.gz GHPOIEGPCSCCRP-NSHDSACASA-N 0 0 314.411 0.179 50 0 DCAARN CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3cnn(C)c3)[C@H]2C1 ZINC000095974275 193469872 /nfs/dbraw/zinc/46/98/72/193469872.db2.gz VPYKDQVNVUDRTC-KGYLQXTDSA-N 0 0 315.395 0.377 50 0 DCAARN CCc1c(C(=O)N2CCN3C(=O)NC[C@H]3C2)cnn1CC(C)C ZINC000096484888 193665548 /nfs/dbraw/zinc/66/55/48/193665548.db2.gz VXDOZDREEWTPME-LBPRGKRZSA-N 0 0 319.409 0.951 50 0 DCAARN CCCNC(=O)CNC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000008032368 181520258 /nfs/dbraw/zinc/52/02/58/181520258.db2.gz ZIHDXVROLAFMDA-UHFFFAOYSA-N 0 0 302.334 0.190 50 0 DCAARN COCCNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O ZINC000009151543 181603884 /nfs/dbraw/zinc/60/38/84/181603884.db2.gz NDTYQDRSXBMLGZ-JTQLQIEISA-N 0 0 312.391 0.909 50 0 DCAARN COc1ccc(Cl)cc1C(=O)NCCN1C(=O)CNC1=O ZINC000264981781 204320852 /nfs/dbraw/zinc/32/08/52/204320852.db2.gz PPEGXNZQMRZYNV-UHFFFAOYSA-N 0 0 311.725 0.630 50 0 DCAARN NC(=O)COC(=O)c1cc(I)ccc1O ZINC000010591282 181674893 /nfs/dbraw/zinc/67/48/93/181674893.db2.gz UDUUXSLYRJDVKN-UHFFFAOYSA-N 0 0 321.070 0.639 50 0 DCAARN COC(=O)CSc1nnc(-c2cccs2)n1CC(N)=O ZINC000012813468 181800536 /nfs/dbraw/zinc/80/05/36/181800536.db2.gz XNBYBMAPZGSWDX-UHFFFAOYSA-N 0 0 312.376 0.757 50 0 DCAARN NC(=O)C1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 ZINC000013624337 181869516 /nfs/dbraw/zinc/86/95/16/181869516.db2.gz HOSKRQQJMDKBHH-UHFFFAOYSA-N 0 0 314.345 0.120 50 0 DCAARN COc1cc([C@@H]2CC(=O)Nc3n[nH]cc32)ccc1OCC(N)=O ZINC000015085256 181988555 /nfs/dbraw/zinc/98/85/55/181988555.db2.gz JIIIEWFGOQXPAI-VIFPVBQESA-N 0 0 316.317 0.757 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)Nc2cc(C3CC3)[nH]n2)cn1 ZINC000274681576 211825937 /nfs/dbraw/zinc/82/59/37/211825937.db2.gz XCTMLAIDFXEHMR-UHFFFAOYSA-N 0 0 321.362 0.843 50 0 DCAARN CCc1nnc(NC(=O)CSc2nc(N)cc(=O)[nH]2)s1 ZINC000018324303 182101412 /nfs/dbraw/zinc/10/14/12/182101412.db2.gz GULBZHIYZYJVSI-UHFFFAOYSA-N 0 0 312.380 0.497 50 0 DCAARN COc1ccc(COC[C@H](O)CN2CCOCC2)cc1OC ZINC000019338615 182116774 /nfs/dbraw/zinc/11/67/74/182116774.db2.gz MABSQKAHKUSDJJ-CQSZACIVSA-N 0 0 311.378 0.914 50 0 DCAARN NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000019862214 182158366 /nfs/dbraw/zinc/15/83/66/182158366.db2.gz IEBNWJPMRZPIHQ-NSHDSACASA-N 0 0 300.355 0.853 50 0 DCAARN O=C(CCNc1c(=O)c(=O)c1N1CCCC1)NC1CCCC1 ZINC000020484044 182223188 /nfs/dbraw/zinc/22/31/88/182223188.db2.gz VYCVQASVQIJWOB-UHFFFAOYSA-N 0 0 305.378 0.744 50 0 DCAARN O=C(NCCN1CCOCC1)c1nc(-c2ccc(F)cc2)no1 ZINC000020713813 182242689 /nfs/dbraw/zinc/24/26/89/182242689.db2.gz FCWAGQXZYVTJHR-UHFFFAOYSA-N 0 0 320.324 0.938 50 0 DCAARN Cn1nnc(-c2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc2)n1 ZINC000097745101 193753232 /nfs/dbraw/zinc/75/32/32/193753232.db2.gz MQFLXMZYAUBSEJ-GFCCVEGCSA-N 0 0 314.349 0.276 50 0 DCAARN CCNC(=O)[C@@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000021164895 182267782 /nfs/dbraw/zinc/26/77/82/182267782.db2.gz VDZJMPXWIWSLSV-SNVBAGLBSA-N 0 0 321.406 0.812 50 0 DCAARN O=C(NCCN1CCOCC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000021642502 182281993 /nfs/dbraw/zinc/28/19/93/182281993.db2.gz YUDBXMDZSRTHCG-OAHLLOKOSA-N 0 0 317.389 0.488 50 0 DCAARN Cc1c(Cl)c(C(=O)N[C@H](C)CN2CCOCC2)nn1C ZINC000022238449 182314057 /nfs/dbraw/zinc/31/40/57/182314057.db2.gz PEHYFXPAFXLCIM-SECBINFHSA-N 0 0 300.790 0.832 50 0 DCAARN CCOc1ccc(N2C(=O)C[C@@H](N3CCN(C)CC3)C2=O)cc1 ZINC000022972212 182343968 /nfs/dbraw/zinc/34/39/68/182343968.db2.gz BFDVTZAKPDALSG-OAHLLOKOSA-N 0 0 317.389 0.965 50 0 DCAARN Cc1ccc([C@@H](C)NC(=O)Cn2cnc3c(cnn3C)c2=O)o1 ZINC000023307049 182356179 /nfs/dbraw/zinc/35/61/79/182356179.db2.gz ADQOMUMFSZRMNL-SNVBAGLBSA-N 0 0 315.333 0.909 50 0 DCAARN NC(=O)Cn1ncc(Br)c(Br)c1=O ZINC000023557131 182362966 /nfs/dbraw/zinc/36/29/66/182362966.db2.gz SKNLMFMJKMRDBB-UHFFFAOYSA-N 0 0 310.933 0.254 50 0 DCAARN CN1CCN(C(=O)CSc2nnc(NC3CC3)s2)CC1 ZINC000023989887 182370447 /nfs/dbraw/zinc/37/04/47/182370447.db2.gz IWHCJPKYQQLOII-UHFFFAOYSA-N 0 0 313.452 0.979 50 0 DCAARN CNS(=O)(=O)c1cccc(CNC(=O)CCn2cccn2)c1 ZINC000027307862 182468145 /nfs/dbraw/zinc/46/81/45/182468145.db2.gz FRXDDIVYLGHTCV-UHFFFAOYSA-N 0 0 322.390 0.498 50 0 DCAARN C[C@@H](NC(=O)Cn1nnn(-c2cccs2)c1=O)[C@H]1CCCO1 ZINC000027893232 182496703 /nfs/dbraw/zinc/49/67/03/182496703.db2.gz INTJBTCCCDTTRD-NXEZZACHSA-N 0 0 323.378 0.174 50 0 DCAARN CCNC(=O)c1nn(-c2cccc(C)c2)c(=O)n(CC)c1=O ZINC000036086923 182797161 /nfs/dbraw/zinc/79/71/61/182797161.db2.gz RVABCQBWZPJBDH-UHFFFAOYSA-N 0 0 302.334 0.472 50 0 DCAARN CCOC(=O)N1CCC(NC(=O)C(=O)Nc2cccnc2)CC1 ZINC000038719850 183007899 /nfs/dbraw/zinc/00/78/99/183007899.db2.gz KAQIJGMWELAUQD-UHFFFAOYSA-N 0 0 320.349 0.757 50 0 DCAARN COc1ccc2c(ccn2CC(=O)N2CCN(CCO)CC2)c1 ZINC000040286886 183051079 /nfs/dbraw/zinc/05/10/79/183051079.db2.gz FCGJUTYIOAUSMS-UHFFFAOYSA-N 0 0 317.389 0.786 50 0 DCAARN O=C(Nn1ccc2c(nnc3ccnn32)c1=O)c1cccnc1 ZINC000040388127 183060205 /nfs/dbraw/zinc/06/02/05/183060205.db2.gz BEDCEPZABKKLSD-UHFFFAOYSA-N 0 0 307.273 0.218 50 0 DCAARN CCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000040458976 183070109 /nfs/dbraw/zinc/07/01/09/183070109.db2.gz NJAOMEAGBAAWGH-UHFFFAOYSA-N 0 0 316.361 0.375 50 0 DCAARN O=C(Cn1cnnn1)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000040464828 183071885 /nfs/dbraw/zinc/07/18/85/183071885.db2.gz UHWCMQIOCIEEFN-UHFFFAOYSA-N 0 0 323.740 0.804 50 0 DCAARN CN1N=C(C(=O)NCc2ccnc(N3CCCC3)c2)CCC1=O ZINC000040488980 183079158 /nfs/dbraw/zinc/07/91/58/183079158.db2.gz VJODKUYPQVYEFW-UHFFFAOYSA-N 0 0 315.377 0.906 50 0 DCAARN O=C(NCCCN1CCCC1=O)c1ccccc1-n1cnnn1 ZINC000040488817 183079303 /nfs/dbraw/zinc/07/93/03/183079303.db2.gz GKWKVLDAQHGRMQ-UHFFFAOYSA-N 0 0 314.349 0.405 50 0 DCAARN C[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)C[C@H](C)O1 ZINC000040489984 183080071 /nfs/dbraw/zinc/08/00/71/183080071.db2.gz VVASZPPLXPTWMY-TXEJJXNPSA-N 0 0 303.362 0.799 50 0 DCAARN CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)N1CCOCC1 ZINC000040501637 183083431 /nfs/dbraw/zinc/08/34/31/183083431.db2.gz CIAZLPHGGIDVKS-UHFFFAOYSA-N 0 0 310.379 0.572 50 0 DCAARN CCOc1ccc([C@H](C)NC(=O)Cn2cnnn2)cc1OC ZINC000040512695 183087967 /nfs/dbraw/zinc/08/79/67/183087967.db2.gz RYACSSJSGYOGNR-JTQLQIEISA-N 0 0 305.338 0.958 50 0 DCAARN COC(=O)COc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1 ZINC000040535898 183095799 /nfs/dbraw/zinc/09/57/99/183095799.db2.gz HXICYOURZFKKJE-UHFFFAOYSA-N 0 0 303.274 0.574 50 0 DCAARN Cc1cc(C)n(-c2ccc(NC(=O)N3CCNC(=O)C3)cn2)n1 ZINC000040540929 183097677 /nfs/dbraw/zinc/09/76/77/183097677.db2.gz KMFLARQJFVURIU-UHFFFAOYSA-N 0 0 314.349 0.848 50 0 DCAARN C[C@@H](C(=O)NCc1ccnc(-n2cccn2)c1)S(C)(=O)=O ZINC000040540836 183097839 /nfs/dbraw/zinc/09/78/39/183097839.db2.gz CGEBRGFZUQKYTF-JTQLQIEISA-N 0 0 308.363 0.317 50 0 DCAARN CC(=O)c1c[nH]c(C(=O)NCCCN(C)S(C)(=O)=O)c1 ZINC000041422314 183189945 /nfs/dbraw/zinc/18/99/45/183189945.db2.gz YMRHJDMXHSLSFP-UHFFFAOYSA-N 0 0 301.368 0.229 50 0 DCAARN Cc1nc(CN2CCN(C(=O)CCn3cncn3)CC2)cs1 ZINC000042360413 183258289 /nfs/dbraw/zinc/25/82/89/183258289.db2.gz QMXUBDHJBLOKPJ-UHFFFAOYSA-N 0 0 320.422 0.778 50 0 DCAARN O=C(NCCn1ccnc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000042720673 183301951 /nfs/dbraw/zinc/30/19/51/183301951.db2.gz PBXBVOUWVQCZKT-ZDUSSCGKSA-N 0 0 313.361 0.443 50 0 DCAARN COc1ccc(CCNC(=O)N2CC[C@H](C(N)=O)C2)cc1OC ZINC000043000771 183326778 /nfs/dbraw/zinc/32/67/78/183326778.db2.gz YYSSLVWPTJIEQI-LBPRGKRZSA-N 0 0 321.377 0.763 50 0 DCAARN C[C@H](C(=O)NC[C@H]1CCCO1)n1nnc2ccccc2c1=O ZINC000044450448 183410500 /nfs/dbraw/zinc/41/05/00/183410500.db2.gz REKHINOJSRCMOE-GHMZBOCLSA-N 0 0 302.334 0.648 50 0 DCAARN C[C@@H]1COCCN1C(=O)Cn1cc(Br)ccc1=O ZINC000044915707 183456803 /nfs/dbraw/zinc/45/68/03/183456803.db2.gz BNWHSUFNGPWTEV-SECBINFHSA-N 0 0 315.167 0.858 50 0 DCAARN CC(C)c1noc(CCCC(=O)N[C@H]2CCS(=O)(=O)C2)n1 ZINC000044939320 183462101 /nfs/dbraw/zinc/46/21/01/183462101.db2.gz DTDKLWLYUWAJBD-JTQLQIEISA-N 0 0 315.395 0.819 50 0 DCAARN Cc1cc(CN2CCN(C(=O)c3nccnc3N)CC2)on1 ZINC000044942677 183463091 /nfs/dbraw/zinc/46/30/91/183463091.db2.gz ZAZGURJLGYNFKV-UHFFFAOYSA-N 0 0 302.338 0.313 50 0 DCAARN Cn1cc(/C=C/C(=O)NCCc2cccs2)c(=O)n(C)c1=O ZINC000044892961 183450001 /nfs/dbraw/zinc/45/00/01/183450001.db2.gz WZMQWGLVHNGPGF-AATRIKPKSA-N 0 0 319.386 0.518 50 0 DCAARN COc1ncccc1NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000044953561 183466215 /nfs/dbraw/zinc/46/62/15/183466215.db2.gz KKLRHTIQHYLNNQ-UHFFFAOYSA-N 0 0 314.367 0.199 50 0 DCAARN COCCN1C[C@@H](C(=O)NCc2cccnc2OC)CC1=O ZINC000045348237 183500281 /nfs/dbraw/zinc/50/02/81/183500281.db2.gz JIPOUQKQAMVTSJ-LBPRGKRZSA-N 0 0 307.350 0.201 50 0 DCAARN O=C(c1cnn(-c2ccccc2)n1)N1CC[C@H](n2ccnn2)C1 ZINC000206929842 284753743 /nfs/dbraw/zinc/75/37/43/284753743.db2.gz PCHRCOVRRTYEDJ-ZDUSSCGKSA-N 0 0 309.333 0.946 50 0 DCAARN Cc1noc(C)c1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000049035611 183703883 /nfs/dbraw/zinc/70/38/83/183703883.db2.gz DADQQWUJFNMYRF-JTQLQIEISA-N 0 0 301.368 0.445 50 0 DCAARN COCC(=O)NCc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000053128370 183889649 /nfs/dbraw/zinc/88/96/49/183889649.db2.gz NNSZHHBIRRTMIR-UHFFFAOYSA-N 0 0 319.361 0.780 50 0 DCAARN CCOC(=O)c1c(C)n(C)nc1S(=O)(=O)N1CCCC1 ZINC000057478201 184040169 /nfs/dbraw/zinc/04/01/69/184040169.db2.gz JJIJATBUQXYDAC-UHFFFAOYSA-N 0 0 301.368 0.690 50 0 DCAARN Cc1cc(-c2nnn(CC(=O)N3CCNC3=O)n2)ccc1F ZINC000058193421 184086375 /nfs/dbraw/zinc/08/63/75/184086375.db2.gz DIISLHIJNCMZCL-UHFFFAOYSA-N 0 0 304.285 0.339 50 0 DCAARN CN(CC(=O)Nc1ccc2c(c1)CCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000058197968 184087103 /nfs/dbraw/zinc/08/71/03/184087103.db2.gz KCNMJLUPFRFENG-CYBMUJFWSA-N 0 0 324.402 0.679 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1cc(F)ccc1C ZINC000058202200 184087536 /nfs/dbraw/zinc/08/75/36/184087536.db2.gz JIGJEGXMADLBLM-UHFFFAOYSA-N 0 0 304.343 0.257 50 0 DCAARN Cc1noc(Cn2cnc3c(nnn3-c3ccccc3)c2=O)n1 ZINC000058225305 184090330 /nfs/dbraw/zinc/09/03/30/184090330.db2.gz GTRWDCLGVBEGIA-UHFFFAOYSA-N 0 0 309.289 0.717 50 0 DCAARN C[C@@H]1CCC[C@@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)C1 ZINC000058344306 184107278 /nfs/dbraw/zinc/10/72/78/184107278.db2.gz QBBIVCOBDOIPGK-GHMZBOCLSA-N 0 0 314.411 0.616 50 0 DCAARN CC[C@@H](C)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000058356177 184108402 /nfs/dbraw/zinc/10/84/02/184108402.db2.gz RNQQIHQHRGEDPF-MRVPVSSYSA-N 0 0 311.363 0.635 50 0 DCAARN CS(=O)(=O)N1CCC(C(=O)n2nc(N)c3ccccc32)CC1 ZINC000058357659 184108772 /nfs/dbraw/zinc/10/87/72/184108772.db2.gz WBRKJSJNSANLOZ-UHFFFAOYSA-N 0 0 322.390 0.930 50 0 DCAARN CS(=O)(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000058265448 184096011 /nfs/dbraw/zinc/09/60/11/184096011.db2.gz IZTGMWHFSRHLDH-MRVPVSSYSA-N 0 0 307.169 0.525 50 0 DCAARN Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCCNC3=O)CC2=O)cc1 ZINC000058280200 184098982 /nfs/dbraw/zinc/09/89/82/184098982.db2.gz KTIUTCYNRIXJQZ-OCCSQVGLSA-N 0 0 315.373 0.743 50 0 DCAARN C[C@@H](NC(=O)CCc1ccccc1O)C(=O)N1CCOCC1 ZINC000058283841 184100438 /nfs/dbraw/zinc/10/04/38/184100438.db2.gz WWYCKYWZFFWLGI-GFCCVEGCSA-N 0 0 306.362 0.688 50 0 DCAARN Cc1cc(C)n(CCCNC(=O)CCN2C(=O)CCC2=O)n1 ZINC000058293647 184101829 /nfs/dbraw/zinc/10/18/29/184101829.db2.gz WWTWBEFBXWPPAP-UHFFFAOYSA-N 0 0 306.366 0.545 50 0 DCAARN CC(=O)NCC(=O)N(CCN1CCOCC1)Cc1ccco1 ZINC000063857787 184289602 /nfs/dbraw/zinc/28/96/02/184289602.db2.gz SOSQRLMBCVNFRL-UHFFFAOYSA-N 0 0 309.366 0.077 50 0 DCAARN Cc1ccccc1CN1CCN(CC(=O)NC(C)C)C(=O)C1=O ZINC000064888723 184305703 /nfs/dbraw/zinc/30/57/03/184305703.db2.gz ALOCSEVLZSDTRE-UHFFFAOYSA-N 0 0 317.389 0.690 50 0 DCAARN CNC(=O)c1noc(CN2CC=C([C@@H](C)N(C)C(C)=O)CC2)n1 ZINC000065384723 184333378 /nfs/dbraw/zinc/33/33/78/184333378.db2.gz VSZAUKQZBNEZOA-SNVBAGLBSA-N 0 0 321.381 0.428 50 0 DCAARN Cc1csc(=O)n1CCC(=O)N(C)Cc1nnc2n1CCC2 ZINC000065390735 184333970 /nfs/dbraw/zinc/33/39/70/184333970.db2.gz HBFMFJUKXNMKJI-UHFFFAOYSA-N 0 0 321.406 0.805 50 0 DCAARN COC(=O)c1cc2n(n1)CCN(C(=O)c1ccnc(N)c1)C2 ZINC000065394671 184334885 /nfs/dbraw/zinc/33/48/85/184334885.db2.gz ZXRPHFPUDNCOLS-UHFFFAOYSA-N 0 0 301.306 0.303 50 0 DCAARN Cc1c(C(=O)N2CCOCC2)cccc1N(C)S(C)(=O)=O ZINC000065365793 184329236 /nfs/dbraw/zinc/32/92/36/184329236.db2.gz WQPPYLHQOFEHTO-UHFFFAOYSA-N 0 0 312.391 0.863 50 0 DCAARN CCOc1ccc(CN2CCN3CCN(C)C(=O)[C@@H]3C2)cn1 ZINC000065370231 184329461 /nfs/dbraw/zinc/32/94/61/184329461.db2.gz ULVWFAGXIFIVFN-AWEZNQCLSA-N 0 0 304.394 0.439 50 0 DCAARN Cc1nc2c(c(=O)n1C)CCN(C(=O)[C@H](C)n1cccn1)CC2 ZINC000065371427 184329995 /nfs/dbraw/zinc/32/99/95/184329995.db2.gz AFGXOBLFCCUYQG-NSHDSACASA-N 0 0 315.377 0.474 50 0 DCAARN COC(=O)[C@]1(C)N[C@H](c2c(C)noc2C)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000065373680 184330456 /nfs/dbraw/zinc/33/04/56/184330456.db2.gz HTOCAWSWUAYNEY-UYUMYWFVSA-N 0 0 321.333 0.098 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CCO1 ZINC000065383026 184332574 /nfs/dbraw/zinc/33/25/74/184332574.db2.gz KNTKULZCYLOMSX-XQQFMLRXSA-N 0 0 307.325 0.577 50 0 DCAARN COc1ncccc1CNC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000065411669 184340475 /nfs/dbraw/zinc/34/04/75/184340475.db2.gz LPMYJILPPNJQER-ZDUSSCGKSA-N 0 0 306.366 0.900 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(O)cc2)o1 ZINC000065457031 184347563 /nfs/dbraw/zinc/34/75/63/184347563.db2.gz HUJSUWMLUUREIY-UHFFFAOYSA-N 0 0 310.331 0.823 50 0 DCAARN CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1CCc2nccn2C1 ZINC000065474093 184351371 /nfs/dbraw/zinc/35/13/71/184351371.db2.gz KXDYCQJAQXRKPR-GFCCVEGCSA-N 0 0 313.423 0.775 50 0 DCAARN O=C(NCc1ccc(F)c(Cn2ccnc2)c1)[C@@H]1CCC(=O)N1 ZINC000065401433 184336618 /nfs/dbraw/zinc/33/66/18/184336618.db2.gz FYVHDAMZCUVJSK-AWEZNQCLSA-N 0 0 316.336 0.965 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)NCc2ccnc(-n3cccn3)c2)C1 ZINC000065530654 184360666 /nfs/dbraw/zinc/36/06/66/184360666.db2.gz XILKFIPPIVABQG-LBPRGKRZSA-N 0 0 314.349 0.284 50 0 DCAARN Cn1ccnc1SCCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000065529821 184360913 /nfs/dbraw/zinc/36/09/13/184360913.db2.gz KRWWGMVGXYZPEP-SNVBAGLBSA-N 0 0 308.407 0.639 50 0 DCAARN CN(C)C(=O)COC(=O)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000065538213 184363021 /nfs/dbraw/zinc/36/30/21/184363021.db2.gz GLFJGGYCKHIQAB-MRXNPFEDSA-N 0 0 320.389 0.816 50 0 DCAARN Cc1ccc2oc(C(=O)N3CCN(CC(N)=O)CC3)cc2c1 ZINC000065542901 184363765 /nfs/dbraw/zinc/36/37/65/184363765.db2.gz TXMGLSQEIWJDLS-UHFFFAOYSA-N 0 0 301.346 0.984 50 0 DCAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC(N)=O ZINC000065552589 184365001 /nfs/dbraw/zinc/36/50/01/184365001.db2.gz PXEIPVWJVCLZJI-LBPRGKRZSA-N 0 0 311.769 0.696 50 0 DCAARN O=C(CN1CCC[C@H]1Cc1cccc(F)c1)N1CCNC(=O)C1 ZINC000065553485 184365281 /nfs/dbraw/zinc/36/52/81/184365281.db2.gz WYBHHLQKBNCDCT-HNNXBMFYSA-N 0 0 319.380 0.791 50 0 DCAARN CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000065591366 184369764 /nfs/dbraw/zinc/36/97/64/184369764.db2.gz YVIPTFHZWFNFNS-GFCCVEGCSA-N 0 0 317.393 0.441 50 0 DCAARN CS(=O)(=O)NCCC(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000065591095 184369766 /nfs/dbraw/zinc/36/97/66/184369766.db2.gz NCXUYEFGVAPNKN-UHFFFAOYSA-N 0 0 322.390 0.809 50 0 DCAARN O=C(NCCN1CCOCC1)N[C@H]1CCN(c2ccccc2)C1 ZINC000065610077 184373425 /nfs/dbraw/zinc/37/34/25/184373425.db2.gz GJUGIBLASQSLNA-HNNXBMFYSA-N 0 0 318.421 0.897 50 0 DCAARN Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3C(=O)NCC(=O)N3C2)cc1C ZINC000065502618 184355820 /nfs/dbraw/zinc/35/58/20/184355820.db2.gz DOFJGKLUEMJOCW-OCCSQVGLSA-N 0 0 315.373 0.441 50 0 DCAARN CC[C@@H](C)S(=O)(=O)N1CCn2nc(C(=O)OC)cc2C1 ZINC000065505058 184356311 /nfs/dbraw/zinc/35/63/11/184356311.db2.gz QDZYASVJGDGWHT-SECBINFHSA-N 0 0 301.368 0.614 50 0 DCAARN C[C@@H]1CCCN(S(=O)(=O)N(CC(N)=O)C2CCCC2)C1 ZINC000047281706 296393735 /nfs/dbraw/zinc/39/37/35/296393735.db2.gz CJUFPUDSPJAGGP-LLVKDONJSA-N 0 0 303.428 0.693 50 0 DCAARN COC(=O)c1cc(C(=O)N2CCNC(=O)[C@@H]2CC(C)C)cn1C ZINC000349011921 254269480 /nfs/dbraw/zinc/26/94/80/254269480.db2.gz WAUCNBHHYYQTNA-LBPRGKRZSA-N 0 0 321.377 0.798 50 0 DCAARN CNC(=O)[C@H]1CN(Cc2ccc3c(c2)OC(F)(F)O3)CCO1 ZINC000351717410 254361613 /nfs/dbraw/zinc/36/16/13/254361613.db2.gz DTLXTGCMANYPPF-GFCCVEGCSA-N 0 0 314.288 0.955 50 0 DCAARN CN(C[C@H]1Cc2ccccc2CO1)C(=O)c1ccc(=O)n(C)n1 ZINC000225787913 256597216 /nfs/dbraw/zinc/59/72/16/256597216.db2.gz UYSKDVGCMKXMKJ-CQSZACIVSA-N 0 0 313.357 0.994 50 0 DCAARN O=C(CCn1cnnn1)N1CCN(c2ccc(F)cc2)CC1 ZINC000524733902 257213608 /nfs/dbraw/zinc/21/36/08/257213608.db2.gz BBMILAZOJNAFJS-UHFFFAOYSA-N 0 0 304.329 0.551 50 0 DCAARN CS(=O)(=O)N1CCCc2ccc(NC3=CC(=O)NC3)cc21 ZINC000524733996 257213649 /nfs/dbraw/zinc/21/36/49/257213649.db2.gz LFDCTUVSNQIRHU-UHFFFAOYSA-N 0 0 307.375 0.824 50 0 DCAARN COc1cc2c(cc1OC)[C@@H](NC(=O)CCn1cnnn1)CC2 ZINC000524733238 257213808 /nfs/dbraw/zinc/21/38/08/257213808.db2.gz BBNNRBNGMAZFTF-LBPRGKRZSA-N 0 0 317.349 0.884 50 0 DCAARN CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000358881050 257235782 /nfs/dbraw/zinc/23/57/82/257235782.db2.gz CYPMIDMPRFRQNA-ZDUSSCGKSA-N 0 0 301.364 0.587 50 0 DCAARN CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](C(=O)c2nccn2C)C1 ZINC000426690344 257244155 /nfs/dbraw/zinc/24/41/55/257244155.db2.gz UCMAIAYEKCHOJC-GFCCVEGCSA-N 0 0 320.393 0.756 50 0 DCAARN CCn1c(C)ccc(C(=O)NCCN2CCCOC2=O)c1=O ZINC000426606729 257245388 /nfs/dbraw/zinc/24/53/88/257245388.db2.gz JGDBXAMFHAFWRU-UHFFFAOYSA-N 0 0 307.350 0.749 50 0 DCAARN O=C(NCC[C@H]1COc2ccccc2O1)NCc1n[nH]c(=O)[n-]1 ZINC000426563157 257245726 /nfs/dbraw/zinc/24/57/26/257245726.db2.gz SUYIRNPMHASIMD-VIFPVBQESA-N 0 0 319.321 0.540 50 0 DCAARN Cc1cccn2cc(C(=O)N3CC[C@H](CS(N)(=O)=O)C3)nc12 ZINC000426544915 257247245 /nfs/dbraw/zinc/24/72/45/257247245.db2.gz CYXLLNWQZBMOIA-NSHDSACASA-N 0 0 322.390 0.393 50 0 DCAARN COCC(=O)NCc1cc2n(n1)CCN(Cc1ccoc1)C2 ZINC000426425523 257250137 /nfs/dbraw/zinc/25/01/37/257250137.db2.gz XOYIXWQRMVJQKV-UHFFFAOYSA-N 0 0 304.350 0.755 50 0 DCAARN O=C(NCCc1cn[nH]n1)[C@@H]1CCC(=O)N(C2CCCC2)C1 ZINC000426395911 257252342 /nfs/dbraw/zinc/25/23/42/257252342.db2.gz FYVUZMDYGGHRIG-LLVKDONJSA-N 0 0 305.382 0.645 50 0 DCAARN CCCC[C@@H](NC(N)=O)C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000071831117 184859917 /nfs/dbraw/zinc/85/99/17/184859917.db2.gz XUFXYPLYVDEWRF-NEPJUHHUSA-N 0 0 306.366 0.556 50 0 DCAARN [O-][n+]1onc2c1CCc1c-2nn(-c2ccccc2Cl)[n+]1[O-] ZINC000003901801 285411441 /nfs/dbraw/zinc/41/14/41/285411441.db2.gz ZKMJZXOMSGVIQP-UHFFFAOYSA-N 0 0 305.681 0.546 50 0 DCAARN Cc1cc2c(cc1C(=O)N1CC[NH2+][C@H](C(=O)[O-])C1)OCCO2 ZINC000071419253 292001438 /nfs/dbraw/zinc/00/14/38/292001438.db2.gz MUYKDHATUJUFPC-NSHDSACASA-N 0 0 306.318 0.265 50 0 DCAARN CCN(CC(=O)NC)C(=O)[C@H]1CCCN(c2ccccn2)C1 ZINC000058341829 134794948 /nfs/dbraw/zinc/79/49/48/134794948.db2.gz GEQHHVOVKKTZMG-ZDUSSCGKSA-N 0 0 304.394 0.893 50 0 DCAARN O=c1cc2c(nn1CN1CCN(c3ccccn3)CC1)CCC2 ZINC000058402896 134795735 /nfs/dbraw/zinc/79/57/35/134795735.db2.gz IPBSTSPTJBZHRI-UHFFFAOYSA-N 0 0 311.389 0.907 50 0 DCAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCSC2=O)cc1 ZINC000008716877 395684869 /nfs/dbraw/zinc/68/48/69/395684869.db2.gz GMFDUHKZZUUUTA-NSHDSACASA-N 0 0 314.388 0.955 50 0 DCAARN Cc1cccc(N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 ZINC000008728422 395684872 /nfs/dbraw/zinc/68/48/72/395684872.db2.gz QSRRHGKGBARSQO-SNVBAGLBSA-N 0 0 316.361 0.658 50 0 DCAARN Cc1c(CC(=O)NCCCO)c(=O)oc2cc(O)cc(O)c12 ZINC000008791752 395684885 /nfs/dbraw/zinc/68/48/85/395684885.db2.gz LHOXDCUNPLBMNW-UHFFFAOYSA-N 0 0 307.302 0.554 50 0 biogenic DCAARN COCCCN1CC2=C(C1=O)[C@@H](c1ccc(O)cc1)NC(=O)N2 ZINC000008718095 395684974 /nfs/dbraw/zinc/68/49/74/395684974.db2.gz UINMUNZKGRVQDN-CQSZACIVSA-N 0 0 317.345 0.879 50 0 DCAARN COCCNC(=O)[C@@H](NS(=O)(=O)c1cccs1)C(C)C ZINC000009528401 395685374 /nfs/dbraw/zinc/68/53/74/395685374.db2.gz ZQGBNMWPNDDJDN-NSHDSACASA-N 0 0 320.436 0.814 50 0 DCAARN Cc1cc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)no1 ZINC000009576506 395685402 /nfs/dbraw/zinc/68/54/02/395685402.db2.gz QEKHFTHAXCXSEQ-UHFFFAOYSA-N 0 0 324.362 0.995 50 0 DCAARN CCCNC(=O)CSc1nnc2[nH]c(=O)c3c(n21)CCCC3 ZINC000009520615 395685461 /nfs/dbraw/zinc/68/54/61/395685461.db2.gz NZJKAAKLIOEYTJ-UHFFFAOYSA-N 0 0 321.406 0.915 50 0 DCAARN COc1cccc([C@H]2CCCN2CC(=O)N2CCNC(=O)C2)c1 ZINC000009903266 395685536 /nfs/dbraw/zinc/68/55/36/395685536.db2.gz LFLYTVKBZFNPSU-OAHLLOKOSA-N 0 0 317.389 0.791 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCn2ncccc2=O)c(C)c1 ZINC000011856341 395686937 /nfs/dbraw/zinc/68/69/37/395686937.db2.gz WZYIENXUHKHESJ-UHFFFAOYSA-N 0 0 307.375 0.839 50 0 DCAARN CSc1nnc(NC(=O)CSc2nnnn2C)s1 ZINC000012323070 395687503 /nfs/dbraw/zinc/68/75/03/395687503.db2.gz OCMHMFYNJCCDKK-UHFFFAOYSA-N 0 0 303.398 0.514 50 0 DCAARN CCOc1nn(CC)cc1-c1nnc(SCC(=O)NC)n1C ZINC000012422693 395687591 /nfs/dbraw/zinc/68/75/91/395687591.db2.gz DIAXFAFZLKEFDJ-UHFFFAOYSA-N 0 0 324.410 0.935 50 0 DCAARN CC(=O)N1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000012389156 395687627 /nfs/dbraw/zinc/68/76/27/395687627.db2.gz PNMOSBMDWXBWQP-UHFFFAOYSA-N 0 0 310.335 0.076 50 0 DCAARN O=C(Cn1c2ccccc2nc1NCCO)N1CCOCC1 ZINC000012546479 395687820 /nfs/dbraw/zinc/68/78/20/395687820.db2.gz OBFHFJUILTYKHO-UHFFFAOYSA-N 0 0 304.350 0.299 50 0 DCAARN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccccc1 ZINC000012935184 395688347 /nfs/dbraw/zinc/68/83/47/395688347.db2.gz BAFKSKVFLCVLNC-AWEZNQCLSA-N 0 0 310.419 0.812 50 0 DCAARN c1ccc(-n2nnnc2N2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000014014667 395688997 /nfs/dbraw/zinc/68/89/97/395688997.db2.gz DVSFYIBCKWFLJW-OAHLLOKOSA-N 0 0 314.393 0.963 50 0 DCAARN C[C@H](Sc1nnnn1C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000014245626 395689541 /nfs/dbraw/zinc/68/95/41/395689541.db2.gz RUMDEFRWPFYLPN-LURJTMIESA-N 0 0 319.350 0.499 50 0 DCAARN NC(=O)C1CCN(C(=O)c2cccnc2N2CCOCC2)CC1 ZINC000022017507 395691791 /nfs/dbraw/zinc/69/17/91/395691791.db2.gz WUEKNTYNGBYENU-UHFFFAOYSA-N 0 0 318.377 0.256 50 0 DCAARN Cn1c(=O)c2c(O)c(-c3ccccc3)c(=O)n(C)c2n(C)c1=O ZINC000000086198 395679797 /nfs/dbraw/zinc/67/97/97/395679797.db2.gz YGJHZFPEJOKJOH-UHFFFAOYSA-N 0 0 313.313 0.309 50 0 DCAARN CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1 ZINC000000119498 395679838 /nfs/dbraw/zinc/67/98/38/395679838.db2.gz JOBMRCLCHLUQNQ-UHFFFAOYSA-N 0 0 313.361 0.832 50 0 biogenic DCAARN O=C1C[C@@H](c2ccc(S(=O)(=O)N3CCOCC3)cc2)CN1 ZINC000000116813 395679873 /nfs/dbraw/zinc/67/98/73/395679873.db2.gz RDWNAZQBZJZQKK-GFCCVEGCSA-N 0 0 310.375 0.311 50 0 DCAARN CCOC(=O)C1=C(C)NC(=O)[C@H](C(N)=O)[C@H]1c1ccccc1 ZINC000000185559 395679904 /nfs/dbraw/zinc/67/99/04/395679904.db2.gz RHLQQSZYRRFVJE-STQMWFEESA-N 0 0 302.330 0.839 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCOCC2)cc1 ZINC000000216075 395680044 /nfs/dbraw/zinc/68/00/44/395680044.db2.gz KFNCMFQFZHDBMW-UHFFFAOYSA-N 0 0 312.391 0.522 50 0 DCAARN Cn1c2nc(NN)n(Cc3ccccc3Cl)c2c(=O)[nH]c1=O ZINC000000290812 395680203 /nfs/dbraw/zinc/68/02/03/395680203.db2.gz PIYTTXJEUJZVNC-UHFFFAOYSA-N 0 0 320.740 0.411 50 0 DCAARN O=c1[nH]c2ccc(S(=O)(=O)NC3CCCCC3)cc2[nH]c1=O ZINC000000423429 395680394 /nfs/dbraw/zinc/68/03/94/395680394.db2.gz QQMZGKPYMPYSOQ-UHFFFAOYSA-N 0 0 323.374 0.827 50 0 DCAARN C[NH+](C)CCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000000425335 395680431 /nfs/dbraw/zinc/68/04/31/395680431.db2.gz MMCZSCQRFSTAAT-UHFFFAOYSA-N 0 0 306.391 0.737 50 0 DCAARN CS(=O)(=O)N1CCN(C(=S)NCc2ccco2)CC1 ZINC000000609883 395680552 /nfs/dbraw/zinc/68/05/52/395680552.db2.gz QJDOWCNQTGOAEC-UHFFFAOYSA-N 0 0 303.409 0.231 50 0 DCAARN COc1ccc(-c2nnn(CC(=O)NC(C)C)n2)cc1OC ZINC000001360629 395680778 /nfs/dbraw/zinc/68/07/78/395680778.db2.gz BBMYECTYNXWVPR-UHFFFAOYSA-N 0 0 305.338 0.882 50 0 DCAARN Cc1ccnc2nc(C(=O)Nc3sccc3C(N)=O)nn21 ZINC000002652040 395681624 /nfs/dbraw/zinc/68/16/24/395681624.db2.gz UMWDYTZQUGAYNS-UHFFFAOYSA-N 0 0 302.319 0.845 50 0 DCAARN O=C(NCCCCNC(=O)c1cnccn1)c1cnccn1 ZINC000002747329 395681796 /nfs/dbraw/zinc/68/17/96/395681796.db2.gz JBPXSHXMKUFAQD-UHFFFAOYSA-N 0 0 300.322 0.207 50 0 DCAARN CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000002868509 395681995 /nfs/dbraw/zinc/68/19/95/395681995.db2.gz WETGAAGHIZGJRO-GFCCVEGCSA-N 0 0 312.391 0.846 50 0 DCAARN CCOC(=O)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000002936663 395682038 /nfs/dbraw/zinc/68/20/38/395682038.db2.gz GQJORCXWHBYRDQ-UHFFFAOYSA-N 0 0 309.274 0.761 50 0 DCAARN O=C(CCNC(=O)c1ccc2c(c1)OCO2)NC[C@H]1CCCO1 ZINC000003017985 395682093 /nfs/dbraw/zinc/68/20/93/395682093.db2.gz JUWYGCIAILFBSK-GFCCVEGCSA-N 0 0 320.345 0.830 50 0 DCAARN O=C(COC(=O)Cn1nnc2ccccc21)NCc1ccco1 ZINC000003267288 395682354 /nfs/dbraw/zinc/68/23/54/395682354.db2.gz YGSOMIXJYRPQMO-UHFFFAOYSA-N 0 0 314.301 0.884 50 0 DCAARN C[C@H]1Nc2[nH]c(N)nc(=O)c2N(C(=O)c2cccnc2)[C@@H]1C ZINC000005130904 395682592 /nfs/dbraw/zinc/68/25/92/395682592.db2.gz BTWHZQREJHEVAN-HTQZYQBOSA-N 0 0 300.322 0.596 50 0 DCAARN C[C@H](C1CC1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000025510487 395693654 /nfs/dbraw/zinc/69/36/54/395693654.db2.gz QMMDBWBCZITNIZ-MRVPVSSYSA-N 0 0 323.374 0.635 50 0 DCAARN CSc1nc2n(n1)[C@H](c1cnn(C)c1)C(C(N)=O)=C(C)N2 ZINC000006263541 395683005 /nfs/dbraw/zinc/68/30/05/395683005.db2.gz HPSTVVGYNLUITN-SECBINFHSA-N 0 0 305.367 0.508 50 0 DCAARN CCOC(=O)CSCC1=C(C(=O)OCC)CNC(=O)N1 ZINC000006934400 395683067 /nfs/dbraw/zinc/68/30/67/395683067.db2.gz LCFHKSZQNRZJSS-UHFFFAOYSA-N 0 0 302.352 0.413 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)N(C)CC(=O)Nc1cccc(F)c1 ZINC000008093637 395683968 /nfs/dbraw/zinc/68/39/68/395683968.db2.gz ZMJZKWWJKOSCLH-VIFPVBQESA-N 0 0 310.329 0.540 50 0 DCAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCCC1 ZINC000008133709 395684058 /nfs/dbraw/zinc/68/40/58/395684058.db2.gz IQQUBFXOYATCIT-UHFFFAOYSA-N 0 0 307.375 0.738 50 0 DCAARN C[C@@H](C(=O)NCc1cccnc1N1CCOCC1)n1cncn1 ZINC000029957727 395700835 /nfs/dbraw/zinc/70/08/35/395700835.db2.gz UCUGNTDYZYOBSH-LBPRGKRZSA-N 0 0 316.365 0.387 50 0 DCAARN CC(C)Cn1nnnc1S[C@H](C(=O)NC(N)=O)C(C)C ZINC000030397025 395702355 /nfs/dbraw/zinc/70/23/55/395702355.db2.gz NEHOGDAHRMIVLO-QMMMGPOBSA-N 0 0 300.388 0.641 50 0 DCAARN Cn1c(=O)ccn(CC(=O)Nc2nc(C(C)(C)C)cs2)c1=O ZINC000030721603 395703952 /nfs/dbraw/zinc/70/39/52/395703952.db2.gz ZBNDQTXCCVJBQW-UHFFFAOYSA-N 0 0 322.390 0.940 50 0 DCAARN CC1(C)NC(=O)N(CCn2nnc3ccccc3c2=O)C1=O ZINC000031444589 395706728 /nfs/dbraw/zinc/70/67/28/395706728.db2.gz PHRJPGIKRWAABE-UHFFFAOYSA-N 0 0 301.306 0.122 50 0 DCAARN CC[C@](C)(CNC(=O)[C@@H](NC(C)=O)C(C)C)N1CCOCC1 ZINC000031930652 395708638 /nfs/dbraw/zinc/70/86/38/395708638.db2.gz LDXKMBRTAGNHLZ-GOEBONIOSA-N 0 0 313.442 0.764 50 0 DCAARN C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)NC1CC1 ZINC000032090841 395708728 /nfs/dbraw/zinc/70/87/28/395708728.db2.gz JKMHLJZEWPQVCP-RYUDHWBXSA-N 0 0 315.373 0.823 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)NCCCOc1ccccc1 ZINC000031971217 395709063 /nfs/dbraw/zinc/70/90/63/395709063.db2.gz JUQAHQIQQKZHBY-GFCCVEGCSA-N 0 0 305.334 0.560 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)[C@@H]3CCN(C)C(=O)C3)CCO2)[nH]1 ZINC000089289711 395709301 /nfs/dbraw/zinc/70/93/01/395709301.db2.gz FTKHPXJUPDRHAI-GHMZBOCLSA-N 0 0 321.381 0.135 50 0 DCAARN O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)NC1CC1 ZINC000032103318 395709430 /nfs/dbraw/zinc/70/94/30/395709430.db2.gz HVDAZAHRMZVUEK-SNVBAGLBSA-N 0 0 319.336 0.573 50 0 DCAARN C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)N(C)C ZINC000032741893 395712710 /nfs/dbraw/zinc/71/27/10/395712710.db2.gz AJFTZKAFCLLQNK-VIFPVBQESA-N 0 0 317.436 0.901 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(C2CC2)s1 ZINC000032784214 395713151 /nfs/dbraw/zinc/71/31/51/395713151.db2.gz YXAFWBKVKAYRNA-MRVPVSSYSA-N 0 0 316.408 0.778 50 0 DCAARN COCCNC(=O)CNS(=O)(=O)c1cc(F)ccc1F ZINC000032814204 395713568 /nfs/dbraw/zinc/71/35/68/395713568.db2.gz XJAZGTYVDDBQBS-UHFFFAOYSA-N 0 0 308.306 0.006 50 0 DCAARN COC(=O)C(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000032816738 395713680 /nfs/dbraw/zinc/71/36/80/395713680.db2.gz YVGONECIBQKRIT-UHFFFAOYSA-N 0 0 304.302 0.594 50 0 DCAARN NC(=O)CN1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000032804123 395713904 /nfs/dbraw/zinc/71/39/04/395713904.db2.gz FBFAUIIAZBVLSF-UHFFFAOYSA-N 0 0 301.390 0.769 50 0 DCAARN C[C@@H](NS(=O)(=O)N1CCOCC1)c1ccc2c(c1)OCO2 ZINC000032900098 395714081 /nfs/dbraw/zinc/71/40/81/395714081.db2.gz IUIWEBMBYSXLIY-SNVBAGLBSA-N 0 0 314.363 0.643 50 0 DCAARN CNC(=O)CN1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1 ZINC000032913588 395714185 /nfs/dbraw/zinc/71/41/85/395714185.db2.gz SDALQJNCRGVWSS-UHFFFAOYSA-N 0 0 314.389 0.980 50 0 DCAARN Cn1c(=O)cc(COC(=O)c2ccc3c[nH]nc3c2)n(C)c1=O ZINC000032901751 395714342 /nfs/dbraw/zinc/71/43/42/395714342.db2.gz BZNXJLAFMMJVOT-UHFFFAOYSA-N 0 0 314.301 0.317 50 0 DCAARN Cc1nc2ccccc2c(=O)n1CC(=O)N1CCN(C)C[C@H]1C ZINC000089729924 395714371 /nfs/dbraw/zinc/71/43/71/395714371.db2.gz GEIJAJMXCJLUBO-GFCCVEGCSA-N 0 0 314.389 0.867 50 0 DCAARN COC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000089802329 395715338 /nfs/dbraw/zinc/71/53/38/395715338.db2.gz JDXDLKLECSNUOY-LLVKDONJSA-N 0 0 308.338 0.890 50 0 DCAARN C[C@@H]1CN(CCN2C(=O)CNC2=O)CCN1c1nccs1 ZINC000089939426 395717079 /nfs/dbraw/zinc/71/70/79/395717079.db2.gz YYRVSEPITRZPCJ-SNVBAGLBSA-N 0 0 309.395 0.205 50 0 DCAARN O=S(=O)(c1c(F)cccc1F)N1CCN(CCO)CC1 ZINC000035102149 395718552 /nfs/dbraw/zinc/71/85/52/395718552.db2.gz PVYNZNUKRCPYQD-UHFFFAOYSA-N 0 0 306.334 0.263 50 0 DCAARN CC(C)NS(=O)(=O)c1cc(C(=O)N2CCOCC2)cs1 ZINC000035405396 395720833 /nfs/dbraw/zinc/72/08/33/395720833.db2.gz ULWRVCMIQRTGRH-UHFFFAOYSA-N 0 0 318.420 0.907 50 0 DCAARN COC(=O)Cn1c(=O)nc2n1C(=O)N(c1cccc(OC)c1)C2 ZINC000036365182 395723245 /nfs/dbraw/zinc/72/32/45/395723245.db2.gz QQHAYWWHFFIIHR-UHFFFAOYSA-N 0 0 318.289 0.215 50 0 DCAARN O=C(CN1CCN(C(=O)c2ccncc2)CC1)N1CCCC1 ZINC000036383654 395723326 /nfs/dbraw/zinc/72/33/26/395723326.db2.gz ZBAMFWFWFXSRFW-UHFFFAOYSA-N 0 0 302.378 0.462 50 0 DCAARN COCCNC(=O)CN1CCN(C(=O)c2cccs2)CC1 ZINC000036383674 395723366 /nfs/dbraw/zinc/72/33/66/395723366.db2.gz LRVVPAFLUMCYML-UHFFFAOYSA-N 0 0 311.407 0.269 50 0 DCAARN CC(C)C(=O)NCCNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000028212455 395695804 /nfs/dbraw/zinc/69/58/04/395695804.db2.gz JBNRWHIGAPHRHZ-VXGBXAGGSA-N 0 0 323.393 0.050 50 0 DCAARN Cc1ccc(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)o1 ZINC000028223439 395695945 /nfs/dbraw/zinc/69/59/45/395695945.db2.gz GFJJZHASINIWLY-NSHDSACASA-N 0 0 300.380 0.876 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)[C@H](C)n2cccn2)c2ccccc2O1 ZINC000028488917 395696062 /nfs/dbraw/zinc/69/60/62/395696062.db2.gz VKBQEXNAAWCKLA-FZMZJTMJSA-N 0 0 314.345 0.984 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)C2CCC2)C[C@H](C)O1 ZINC000029188678 395697094 /nfs/dbraw/zinc/69/70/94/395697094.db2.gz OWKYPKZEPFPEQD-PHIMTYICSA-N 0 0 304.412 0.342 50 0 DCAARN COCCCNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000029107933 395697123 /nfs/dbraw/zinc/69/71/23/395697123.db2.gz FFUIVIBBXPQEAQ-CYBMUJFWSA-N 0 0 322.340 0.398 50 0 DCAARN COc1ccc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000029207808 395697585 /nfs/dbraw/zinc/69/75/85/395697585.db2.gz AMYZVPXQRLPKBM-LBPRGKRZSA-N 0 0 312.391 0.849 50 0 DCAARN O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCN(c2nccs2)CC1 ZINC000029600637 395698578 /nfs/dbraw/zinc/69/85/78/395698578.db2.gz XJMBWFFGTZDTIE-LLVKDONJSA-N 0 0 320.418 0.803 50 0 DCAARN O=C(NCCn1ncccc1=O)c1cc(-c2ccco2)on1 ZINC000038488152 395731942 /nfs/dbraw/zinc/73/19/42/395731942.db2.gz MHLZPVBXPNWJJH-UHFFFAOYSA-N 0 0 300.274 0.921 50 0 DCAARN CNC(=O)Cn1nc(-c2ccc(OC)cc2)c(OC)cc1=O ZINC000096183166 395747162 /nfs/dbraw/zinc/74/71/62/395747162.db2.gz SIPMWYOLUGIOHJ-UHFFFAOYSA-N 0 0 303.318 0.674 50 0 DCAARN CC(=O)c1cccc(NC(=O)CNC(=O)c2ccn(C)n2)c1 ZINC000096193043 395748528 /nfs/dbraw/zinc/74/85/28/395748528.db2.gz OTKBJFDGTNQYOD-UHFFFAOYSA-N 0 0 300.318 0.991 50 0 DCAARN O=C(NCc1ccc(N2CCOCC2)nc1)NC[C@H]1CCOC1 ZINC000042309536 395744054 /nfs/dbraw/zinc/74/40/54/395744054.db2.gz DNOIVSQKPLARAT-CQSZACIVSA-N 0 0 320.393 0.754 50 0 DCAARN COCC(=O)N1CCC(c2nnc(CN3CCCC3)n2C)CC1 ZINC000096148496 395746135 /nfs/dbraw/zinc/74/61/35/395746135.db2.gz QSINXOICBKOYCF-UHFFFAOYSA-N 0 0 321.425 0.763 50 0 DCAARN CC(C)[C@H](NC(=O)CNC(=O)/C=C\c1ccccc1)C(N)=O ZINC000096297406 395752238 /nfs/dbraw/zinc/75/22/38/395752238.db2.gz CHYXJCOJUMJVFA-CDNLZTBQSA-N 0 0 303.362 0.442 50 0 DCAARN COc1cccc([C@H](CNC(=O)CN2C(=O)CCC2=O)OC)c1 ZINC000096389809 395752828 /nfs/dbraw/zinc/75/28/28/395752828.db2.gz OWLVBKKTWYGLAL-ZDUSSCGKSA-N 0 0 320.345 0.648 50 0 DCAARN CN(C)C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 ZINC000096402724 395752854 /nfs/dbraw/zinc/75/28/54/395752854.db2.gz PXRUNAAASAFGBE-LBPRGKRZSA-N 0 0 307.350 0.635 50 0 DCAARN Cc1n[nH]c(C)c1NC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000096441464 395753185 /nfs/dbraw/zinc/75/31/85/395753185.db2.gz SEMLPPBECDWGQT-GXFFZTMASA-N 0 0 319.409 0.765 50 0 DCAARN Cn1nccc1CNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000096420653 395753278 /nfs/dbraw/zinc/75/32/78/395753278.db2.gz LNVNBCKGHYCAHX-MRXNPFEDSA-N 0 0 314.389 0.937 50 0 DCAARN CC(=O)c1cn(Cc2cn3c(cccc3C)n2)c(=O)n(C)c1=O ZINC000096472038 395753994 /nfs/dbraw/zinc/75/39/94/395753994.db2.gz AEBPSXLLEHKYSV-UHFFFAOYSA-N 0 0 312.329 0.754 50 0 DCAARN COCCS(=O)(=O)CC(=O)NCCc1c(F)cccc1F ZINC000097437630 395757637 /nfs/dbraw/zinc/75/76/37/395757637.db2.gz RVMCGWYSFKQFGW-UHFFFAOYSA-N 0 0 321.345 0.685 50 0 DCAARN COC(=O)CC1CCN(C(=O)c2ccc3nnnn3c2)CC1 ZINC000096223049 395750445 /nfs/dbraw/zinc/75/04/45/395750445.db2.gz SQCDDSFKIKCCRW-UHFFFAOYSA-N 0 0 303.322 0.540 50 0 DCAARN O=C(NCCCc1nnc2ccccn21)c1ccn2nnnc2c1 ZINC000096231106 395751036 /nfs/dbraw/zinc/75/10/36/395751036.db2.gz UMMHCNBWBCQZLT-UHFFFAOYSA-N 0 0 322.332 0.530 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)c1cnc2sccn2c1=O ZINC000046887934 395781863 /nfs/dbraw/zinc/78/18/63/395781863.db2.gz CMNGOYZPCYJWQO-SNVBAGLBSA-N 0 0 322.390 0.207 50 0 DCAARN CC(C)c1nc2c(n1C)CCN([C@@H]1CS(=O)(=O)C[C@H]1O)C2 ZINC000106869497 395784915 /nfs/dbraw/zinc/78/49/15/395784915.db2.gz YQCBHCDFIQSWJP-CHWSQXEVSA-N 0 0 313.423 0.060 50 0 DCAARN O=C(NC[C@@H]1CCOC1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000047067726 395786772 /nfs/dbraw/zinc/78/67/72/395786772.db2.gz QJKQLOCKBRRYSA-STQMWFEESA-N 0 0 305.382 0.781 50 0 DCAARN Cc1noc(C)c1CN1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC000047091861 395787315 /nfs/dbraw/zinc/78/73/15/395787315.db2.gz YFKCQKOJXAHCBC-CQSZACIVSA-N 0 0 309.366 0.351 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)c1cnc2ccccn2c1=O ZINC000047151270 395788112 /nfs/dbraw/zinc/78/81/12/395788112.db2.gz ZBDCXTOWNQISRQ-LBPRGKRZSA-N 0 0 316.361 0.145 50 0 DCAARN CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Cn1cccnc1=O ZINC000097572297 395759149 /nfs/dbraw/zinc/75/91/49/395759149.db2.gz CBVYNVSROISTOR-LBPRGKRZSA-N 0 0 303.366 0.671 50 0 DCAARN COCCc1noc(COC2CCN(S(C)(=O)=O)CC2)n1 ZINC000097942500 395761351 /nfs/dbraw/zinc/76/13/51/395761351.db2.gz XJGPADXPUHHZST-UHFFFAOYSA-N 0 0 319.383 0.199 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)NCCc1ccc2c(c1)OCO2 ZINC000097996545 395761473 /nfs/dbraw/zinc/76/14/73/395761473.db2.gz AUXTUHVBTQBLGL-JTQLQIEISA-N 0 0 319.317 0.062 50 0 DCAARN CCOC(=O)c1nnn(C[C@@H](O)c2ccc(OC)cc2)c1CO ZINC000098211142 395762369 /nfs/dbraw/zinc/76/23/69/395762369.db2.gz UDIKNJLRDDXUDW-CYBMUJFWSA-N 0 0 321.333 0.689 50 0 DCAARN CCN1CCn2c(=O)n(CCc3c(C)noc3C)nc2C1=O ZINC000098213026 395762415 /nfs/dbraw/zinc/76/24/15/395762415.db2.gz RMPZCMRMTOYLJM-UHFFFAOYSA-N 0 0 305.338 0.368 50 0 DCAARN NC(=O)NC(=O)CCN1C(=O)C[C@H](Cc2ccc(F)cc2)C1=O ZINC000101189643 395764171 /nfs/dbraw/zinc/76/41/71/395764171.db2.gz JGHOSKYUCXKLMT-JTQLQIEISA-N 0 0 321.308 0.328 50 0 DCAARN NC(=O)c1cc(NC(=O)NCC(=O)N2CCCC2)ccc1F ZINC000045692687 395765203 /nfs/dbraw/zinc/76/52/03/395765203.db2.gz SRRHJGMYBMJGCB-UHFFFAOYSA-N 0 0 308.313 0.669 50 0 DCAARN O=C1C[C@@H](N[C@@H]2CCS(=O)(=O)C2)C(=O)N1c1ccccc1 ZINC000102439421 395770233 /nfs/dbraw/zinc/77/02/33/395770233.db2.gz WBHBBEUMIDCPBF-ZYHUDNBSSA-N 0 0 308.359 0.095 50 0 DCAARN C[C@H](C(=O)NCc1cccnc1-n1cccn1)S(C)(=O)=O ZINC000048115157 395808763 /nfs/dbraw/zinc/80/87/63/395808763.db2.gz KVSKKINFBCJZIJ-SNVBAGLBSA-N 0 0 308.363 0.317 50 0 DCAARN COc1cc(OC)cc(C(=O)NCC(=O)Nc2ccn(C)n2)c1 ZINC000048252658 395811386 /nfs/dbraw/zinc/81/13/86/395811386.db2.gz ZQWICGYVERGFIU-UHFFFAOYSA-N 0 0 318.333 0.806 50 0 DCAARN Cn1ncc(NC(=O)Cn2cc(-c3ccc(F)cn3)cn2)n1 ZINC000048337835 395813869 /nfs/dbraw/zinc/81/38/69/395813869.db2.gz RADUCHJQHJDLCT-UHFFFAOYSA-N 0 0 301.285 0.851 50 0 DCAARN CCCOC(=O)[C@@H]1[C@H]2C(=O)N(C[C@H]3CCCO3)C[C@@]23C=C[C@@H]1O3 ZINC000225333119 395859215 /nfs/dbraw/zinc/85/92/15/395859215.db2.gz CWKHMXLOOBRICA-RVFOSREFSA-N 0 0 321.373 0.901 50 0 biogenic DCAARN C[C@H]1CCCN(S(=O)(=O)N2CCC(CC(N)=O)CC2)C1 ZINC000048670952 395822466 /nfs/dbraw/zinc/82/24/66/395822466.db2.gz BXTVMKDDWZSMMO-NSHDSACASA-N 0 0 303.428 0.551 50 0 DCAARN CC1CCN(CCNC(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000048754816 395823005 /nfs/dbraw/zinc/82/30/05/395823005.db2.gz HETPNKIENBJJFD-CYBMUJFWSA-N 0 0 317.455 0.452 50 0 DCAARN CNS(=O)(=O)[C@@H]1CCN(C(=O)c2c(F)ccc(F)c2F)C1 ZINC000195567231 395831818 /nfs/dbraw/zinc/83/18/18/395831818.db2.gz ROPSYMDIOBGRFA-SSDOTTSWSA-N 0 0 322.308 0.868 50 0 DCAARN COC(=O)CCNC(=O)Cn1nc(-c2cccs2)ccc1=O ZINC000049548619 395832463 /nfs/dbraw/zinc/83/24/63/395832463.db2.gz FAJWIABGJYCFBI-UHFFFAOYSA-N 0 0 321.358 0.651 50 0 DCAARN CC(=O)NCCC(=O)N1CCN(CCc2ccccc2)C(=O)C1 ZINC000219509233 395845580 /nfs/dbraw/zinc/84/55/80/395845580.db2.gz ILEMYJBNSLMKNJ-UHFFFAOYSA-N 0 0 317.389 0.426 50 0 DCAARN Cc1ccc(CC(=O)N[C@@H]2COCC[C@@H]2OCC(N)=O)cc1C ZINC000219999350 395847226 /nfs/dbraw/zinc/84/72/26/395847226.db2.gz NSSWNXXBZSGFNI-CABCVRRESA-N 0 0 320.389 0.622 50 0 DCAARN CCS(=O)(=O)NCCCNS(=O)(=O)c1cccc(C)c1 ZINC000051162575 395847622 /nfs/dbraw/zinc/84/76/22/395847622.db2.gz DNJKOIVHDYKOAT-UHFFFAOYSA-N 0 0 320.436 0.603 50 0 DCAARN COC[C@@H]1[C@H](NS(=O)(=O)c2c(C)cnn2C)[C@@H]2CCO[C@H]12 ZINC000220347997 395847715 /nfs/dbraw/zinc/84/77/15/395847715.db2.gz GBDMVAOBVLILHB-QCNOEVLYSA-N 0 0 315.395 0.057 50 0 DCAARN O=C(COc1ccc(-n2cnnn2)cc1)N[C@H]1C[C@@H]2OCC[C@H]12 ZINC000220120040 395847956 /nfs/dbraw/zinc/84/79/56/395847956.db2.gz JZQYXYNSQWFPJV-RDBSUJKOSA-N 0 0 315.333 0.335 50 0 DCAARN Cn1cnnc1CCC(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000220575487 395849020 /nfs/dbraw/zinc/84/90/20/395849020.db2.gz XCPWJAAKBCCKOF-OZVIIMIRSA-N 0 0 315.377 0.771 50 0 DCAARN Cc1nn(C)cc1[C@@H](C)NC(=O)Cn1nc(C)c(C)cc1=O ZINC000221353970 395850306 /nfs/dbraw/zinc/85/03/06/395850306.db2.gz YQVRDEPILCXEMD-LLVKDONJSA-N 0 0 303.366 0.779 50 0 DCAARN COCCn1cnnc1CNC(=O)[C@H](O)c1ccc(OC)cc1 ZINC000221315441 395850562 /nfs/dbraw/zinc/85/05/62/395850562.db2.gz DJZGHVXTAZLVMW-CQSZACIVSA-N 0 0 320.349 0.283 50 0 DCAARN CCNC(=O)[C@H]1CCN(C(=O)CN(C)Cc2cccnc2)C1 ZINC000222252484 395851926 /nfs/dbraw/zinc/85/19/26/395851926.db2.gz HDCIVPGYYYEGAV-AWEZNQCLSA-N 0 0 304.394 0.498 50 0 DCAARN COCCN(C)CC(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1 ZINC000222435281 395852665 /nfs/dbraw/zinc/85/26/65/395852665.db2.gz IKHLIULARTWQGF-ZIAGYGMSSA-N 0 0 323.393 0.312 50 0 DCAARN Cc1ccc2[nH]c(SCC(=O)NCc3nc(N)n[nH]3)nc2c1 ZINC000223011093 395853410 /nfs/dbraw/zinc/85/34/10/395853410.db2.gz DCBVDDLHUSXQJS-UHFFFAOYSA-N 0 0 317.378 0.980 50 0 DCAARN COc1cc(OC)c(OC)cc1CN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000271276037 395853671 /nfs/dbraw/zinc/85/36/71/395853671.db2.gz KXBWTRLYIPBXKL-BMIGLBTASA-N 0 0 324.377 0.787 50 0 DCAARN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(Cn2ccnc2)CC1 ZINC000223160928 395854567 /nfs/dbraw/zinc/85/45/67/395854567.db2.gz QYEZTKFAQYKHOT-LLVKDONJSA-N 0 0 314.411 0.059 50 0 DCAARN NC(=O)C1(C(=O)N[C@@H](c2nnc(N)s2)c2ccccc2)CC1 ZINC000223321430 395854915 /nfs/dbraw/zinc/85/49/15/395854915.db2.gz CVYHZGUUECXNGU-SECBINFHSA-N 0 0 317.374 0.591 50 0 DCAARN Cc1nc(CN2CCN(C(=O)c3cc(=O)cc(C)o3)CC2)no1 ZINC000223608552 395855924 /nfs/dbraw/zinc/85/59/24/395855924.db2.gz PXVGGSIQKRXXFM-UHFFFAOYSA-N 0 0 318.333 0.598 50 0 DCAARN CCN1C[C@@H](C(=O)N2CCN(Cc3cccnc3)CC2)CC1=O ZINC000047431713 395792298 /nfs/dbraw/zinc/79/22/98/395792298.db2.gz XFVANGVBBYXBNQ-HNNXBMFYSA-N 0 0 316.405 0.594 50 0 DCAARN C[C@@H]1CN(C(=O)Cc2ccc(-n3cnnn3)cc2)[C@@H](C)CO1 ZINC000047447348 395793095 /nfs/dbraw/zinc/79/30/95/395793095.db2.gz CIGCNGKSPUBYSA-NWDGAFQWSA-N 0 0 301.350 0.841 50 0 DCAARN CN(C[C@H]1COc2ccccc2O1)C(=O)[C@H]1CCC(=O)NC1 ZINC000047700564 395800570 /nfs/dbraw/zinc/80/05/70/395800570.db2.gz FWNDHLFVFIAAOK-RYUDHWBXSA-N 0 0 304.346 0.811 50 0 DCAARN COc1ncccc1CNC(=O)c1ccnc(-n2cncn2)c1 ZINC000053798528 395889139 /nfs/dbraw/zinc/88/91/39/395889139.db2.gz RLHRQCGMJLEXJK-UHFFFAOYSA-N 0 0 310.317 0.996 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)c2nc(N3CCCC3)ncc2Cl)C1 ZINC000053895038 395891010 /nfs/dbraw/zinc/89/10/10/395891010.db2.gz VYEFYHGCGYNHPU-SECBINFHSA-N 0 0 323.784 0.678 50 0 DCAARN COC(=O)NCC(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000054084610 395893163 /nfs/dbraw/zinc/89/31/63/395893163.db2.gz DZKJDMSBNSBXKX-UHFFFAOYSA-N 0 0 307.306 0.615 50 0 DCAARN Cc1nc(SCC(=O)NC[C@H](O)Cc2ccccc2)n[nH]1 ZINC000055133441 395912351 /nfs/dbraw/zinc/91/23/51/395912351.db2.gz GDFBUWCSZPMHSN-GFCCVEGCSA-N 0 0 306.391 0.925 50 0 DCAARN NC(=O)N1CCC[C@H](C(=O)NCCc2cn3ccccc3n2)C1 ZINC000055234203 395913951 /nfs/dbraw/zinc/91/39/51/395913951.db2.gz GSCMSYXMQBPEJG-LBPRGKRZSA-N 0 0 315.377 0.784 50 0 DCAARN CNC(=O)COc1cccc(CNC(=O)c2ccc(=O)[nH]c2)c1 ZINC000055782336 395921415 /nfs/dbraw/zinc/92/14/15/395921415.db2.gz BRGRCBUGBQPONV-UHFFFAOYSA-N 0 0 315.329 0.430 50 0 DCAARN CN(C)C(=O)C1(C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 ZINC000225703010 395862138 /nfs/dbraw/zinc/86/21/38/395862138.db2.gz AUCZVMVMRRZZBT-UHFFFAOYSA-N 0 0 318.377 0.725 50 0 DCAARN c1cc(N(C[C@H]2CCCO2)C[C@H]2CCCO2)nn2nnnc12 ZINC000052314533 395862607 /nfs/dbraw/zinc/86/26/07/395862607.db2.gz YSXFBORGAOYMEV-VXGBXAGGSA-N 0 0 304.354 0.684 50 0 DCAARN COc1nccnc1O[C@H]1CCN(C(=O)c2snnc2C)C1 ZINC000225807877 395863672 /nfs/dbraw/zinc/86/36/72/395863672.db2.gz PFLKNTADIUFQGJ-VIFPVBQESA-N 0 0 321.362 0.939 50 0 DCAARN CN(C)S(=O)(=O)NCc1nnc2c(C(F)(F)F)cccn12 ZINC000225809666 395863674 /nfs/dbraw/zinc/86/36/74/395863674.db2.gz QZUFGHAYLUHUSP-UHFFFAOYSA-N 0 0 323.300 0.644 50 0 DCAARN Cc1cc(C(=O)NCc2nc(-c3cc[nH]c(=O)c3)no2)no1 ZINC000225801713 395863843 /nfs/dbraw/zinc/86/38/43/395863843.db2.gz MGYGGFBFGGEAPZ-UHFFFAOYSA-N 0 0 301.262 0.651 50 0 DCAARN COCCNC(=O)Cn1cc(COc2ccccc2OC)nn1 ZINC000227160848 395867690 /nfs/dbraw/zinc/86/76/90/395867690.db2.gz SGSYXADPJFNOGD-UHFFFAOYSA-N 0 0 320.349 0.628 50 0 DCAARN CNC(=O)CCNC(=O)COc1cccc2c1NC(=O)CC2 ZINC000227158811 395868148 /nfs/dbraw/zinc/86/81/48/395868148.db2.gz JUOUOEZVXGYCML-UHFFFAOYSA-N 0 0 305.334 0.202 50 0 DCAARN COCCN(Cc1ccco1)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000052827661 395870538 /nfs/dbraw/zinc/87/05/38/395870538.db2.gz OEZWSYPXRVVDIW-UHFFFAOYSA-N 0 0 317.349 0.898 50 0 DCAARN Cc1cc(NC(=O)CN(C)CC(N)=O)n(-c2ccccc2F)n1 ZINC000052832328 395871562 /nfs/dbraw/zinc/87/15/62/395871562.db2.gz XQPQMWWZKHICEE-UHFFFAOYSA-N 0 0 319.340 0.675 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCO[C@@H](c3nnc(C)[nH]3)C2)no1 ZINC000229284578 395873908 /nfs/dbraw/zinc/87/39/08/395873908.db2.gz UQBWEHBEJOTCTL-GXSJLCMTSA-N 0 0 320.353 0.810 50 0 DCAARN O=[S@@](CCN1CCO[C@@H](Cn2cncn2)C1)c1ccccc1 ZINC000229499126 395874862 /nfs/dbraw/zinc/87/48/62/395874862.db2.gz LHCXILIVVDTNIW-PEBXRYMYSA-N 0 0 320.418 0.787 50 0 DCAARN Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1ccoc1 ZINC000053020805 395875619 /nfs/dbraw/zinc/87/56/19/395875619.db2.gz MRPFMWFKCDLNPP-UHFFFAOYSA-N 0 0 300.322 0.775 50 0 DCAARN C[C@@H]1CCCN(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)C1 ZINC000229756989 395875787 /nfs/dbraw/zinc/87/57/87/395875787.db2.gz OIXLPRNPUNOANN-DGCLKSJQSA-N 0 0 311.407 0.779 50 0 DCAARN CC(=O)N1CCCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 ZINC000053356187 395880753 /nfs/dbraw/zinc/88/07/53/395880753.db2.gz UUQDWNMFKAMUBS-UHFFFAOYSA-N 0 0 313.361 0.962 50 0 DCAARN Cn1nc(C(=O)N(CCC(N)=O)Cc2ccccc2)ccc1=O ZINC000053336596 395881099 /nfs/dbraw/zinc/88/10/99/395881099.db2.gz SSCJNYUKXJXXLM-UHFFFAOYSA-N 0 0 314.345 0.298 50 0 DCAARN O=C(NC[C@@H](O)COc1cccc(F)c1)c1ccc[n+]([O-])c1 ZINC000056671286 395932546 /nfs/dbraw/zinc/93/25/46/395932546.db2.gz QFHUDYBAJPYNLP-CYBMUJFWSA-N 0 0 306.293 0.629 50 0 DCAARN c1ccc(-c2nnn(CN3CCN(c4ncccn4)CC3)n2)cc1 ZINC000057522375 395945722 /nfs/dbraw/zinc/94/57/22/395945722.db2.gz VRZGADZCKSRQME-UHFFFAOYSA-N 0 0 322.376 0.910 50 0 DCAARN CCOC(=O)CCNC(=O)c1ccc2c(c1)NC(=O)CN2C ZINC000058297024 395952678 /nfs/dbraw/zinc/95/26/78/395952678.db2.gz QXWFJTZIJSTHHT-UHFFFAOYSA-N 0 0 305.334 0.758 50 0 DCAARN CC(C)CCNC(=O)Cn1nc(N2CCOCC2)ccc1=O ZINC000061721838 395970568 /nfs/dbraw/zinc/97/05/68/395970568.db2.gz BBNJRRKMSZNGLW-UHFFFAOYSA-N 0 0 308.382 0.242 50 0 DCAARN Cc1ccc2nc(CNC(=O)[C@@H](C)NS(C)(=O)=O)cn2c1 ZINC000063096996 395974259 /nfs/dbraw/zinc/97/42/59/395974259.db2.gz KYIJOOUALIUASZ-SNVBAGLBSA-N 0 0 310.379 0.197 50 0 DCAARN CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)OC ZINC000064818737 395989486 /nfs/dbraw/zinc/98/94/86/395989486.db2.gz BKIMCSXWVCJTLQ-UHFFFAOYSA-N 0 0 314.319 0.066 50 0 DCAARN C[C@@H](C(=O)NC(N)=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000248580133 395990028 /nfs/dbraw/zinc/99/00/28/395990028.db2.gz IHPQWICKQDCEBF-JSGCOSHPSA-N 0 0 305.378 0.903 50 0 DCAARN Cn1ncc2c1nc(C(=O)N1CCCC1)nc2N1CCOCC1 ZINC000065257103 395991642 /nfs/dbraw/zinc/99/16/42/395991642.db2.gz QNYGZVPAFPFNFD-UHFFFAOYSA-N 0 0 316.365 0.436 50 0 DCAARN COc1nccnc1N1CC[C@@H](N(C)C(=O)c2ccnn2C)C1 ZINC000065269011 395991941 /nfs/dbraw/zinc/99/19/41/395991941.db2.gz GHHLGLKDDLKAJS-LLVKDONJSA-N 0 0 316.365 0.570 50 0 DCAARN CCc1cc(=O)n(CC(=O)NCc2ccc(F)cc2F)c(N)n1 ZINC000065310919 395992124 /nfs/dbraw/zinc/99/21/24/395992124.db2.gz ZEUXQCPMEMWKMQ-UHFFFAOYSA-N 0 0 322.315 0.983 50 0 DCAARN CCCN1C[C@@H](Nc2nccc(N3CCC(O)CC3)n2)CC1=O ZINC000065398289 395993360 /nfs/dbraw/zinc/99/33/60/395993360.db2.gz OVINNGADSHAULV-LBPRGKRZSA-N 0 0 319.409 0.861 50 0 DCAARN COC(=O)[C@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)C(C)C ZINC000252510115 396022317 /nfs/dbraw/zinc/02/23/17/396022317.db2.gz ZBUTWVJMMGHRFR-OAHLLOKOSA-N 0 0 321.377 0.436 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)N2CC[C@]3(CCOC3)C2)c1 ZINC000153237548 396022770 /nfs/dbraw/zinc/02/27/70/396022770.db2.gz BUFOZRCZWMIUIJ-HNNXBMFYSA-N 0 0 324.402 0.847 50 0 DCAARN Cc1ncncc1C(=O)N[C@H]1C[C@@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000253534825 396029388 /nfs/dbraw/zinc/02/93/88/396029388.db2.gz HVFICTKULYZNRP-DTORHVGOSA-N 0 0 300.322 0.539 50 0 DCAARN Nc1nc([C@H]2C[C@@H](NC(=O)c3ccc(CO)cc3)C2)cc(=O)[nH]1 ZINC000253535803 396029774 /nfs/dbraw/zinc/02/97/74/396029774.db2.gz QZEGGOYKFRNXMU-TXEJJXNPSA-N 0 0 314.345 0.933 50 0 DCAARN O=C(NCc1nc(-c2cc[nH]c(=O)c2)no1)NC[C@@H]1CCCO1 ZINC000253537719 396030253 /nfs/dbraw/zinc/03/02/53/396030253.db2.gz QFQYEDPXAGGIOS-JTQLQIEISA-N 0 0 319.321 0.815 50 0 DCAARN C[C@@]1(O)CCN(C(=O)CNC(N)=O)C[C@@H]1Cc1ccccc1 ZINC000067713517 396031801 /nfs/dbraw/zinc/03/18/01/396031801.db2.gz XDJBAYZPQONQSO-XJKSGUPXSA-N 0 0 305.378 0.497 50 0 DCAARN COC(=O)CN1CCC(NC(=O)c2ccc(C)[nH]c2=O)CC1 ZINC000067742854 396032602 /nfs/dbraw/zinc/03/26/02/396032602.db2.gz FAWMIJQWWQGJBI-UHFFFAOYSA-N 0 0 307.350 0.051 50 0 DCAARN COc1ccc(CCC(=O)N2C[C@@H](CO)[C@H](NC(C)=O)C2)cc1 ZINC000257193541 396035202 /nfs/dbraw/zinc/03/52/02/396035202.db2.gz YRQVGONYUICWSI-GOEBONIOSA-N 0 0 320.389 0.583 50 0 DCAARN CC(=O)N[C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@H]1CO ZINC000257197156 396035989 /nfs/dbraw/zinc/03/59/89/396035989.db2.gz ZNZAOUAVQXDAPW-DZGCQCFKSA-N 0 0 306.362 0.329 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)c2c[nH]c3ccccc23)C[C@H]1CO ZINC000257194338 396035997 /nfs/dbraw/zinc/03/59/97/396035997.db2.gz TWLZXIJITJXDPL-GXFFZTMASA-N 0 0 301.346 0.594 50 0 DCAARN Cc1ccc2nc(CNC(=O)[C@H](C)NS(C)(=O)=O)cn2c1 ZINC000067844476 396036417 /nfs/dbraw/zinc/03/64/17/396036417.db2.gz KYIJOOUALIUASZ-JTQLQIEISA-N 0 0 310.379 0.197 50 0 DCAARN Cc1nc2cccc(C(=O)N3CC[N@@H+](C)[C@H](C(=O)[O-])C3)c2[nH]1 ZINC000067881588 396038262 /nfs/dbraw/zinc/03/82/62/396038262.db2.gz DSMQLVRCEGRPLQ-LBPRGKRZSA-N 0 0 302.334 0.712 50 0 DCAARN CCc1nccn1CCCNC(=O)C1=C(C)NC(=O)N[C@@H]1C ZINC000067908910 396038609 /nfs/dbraw/zinc/03/86/09/396038609.db2.gz SIKIHRBRDCNAFS-SNVBAGLBSA-N 0 0 305.382 0.927 50 0 DCAARN C[C@@H]1c2cccn2CCN1C(=O)COc1ccc2nncn2n1 ZINC000067908031 396038931 /nfs/dbraw/zinc/03/89/31/396038931.db2.gz ITSRHOINUDDICQ-LLVKDONJSA-N 0 0 312.333 0.908 50 0 DCAARN CS(=O)(=O)NCCC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000067920172 396039135 /nfs/dbraw/zinc/03/91/35/396039135.db2.gz JTLIDBHYXNDSRX-JTQLQIEISA-N 0 0 300.384 0.055 50 0 DCAARN O=C(NCCO)c1cc2n(n1)CCN(Cc1ccccc1)C2 ZINC000067955075 396040626 /nfs/dbraw/zinc/04/06/26/396040626.db2.gz YKOYLSLZMUSZRU-UHFFFAOYSA-N 0 0 300.362 0.621 50 0 DCAARN COc1ccc2[nH]c(=O)c(CN3CC[C@]([NH3+])(C(=O)[O-])C3)cc2c1 ZINC000067967308 396040667 /nfs/dbraw/zinc/04/06/67/396040667.db2.gz SSKUXISGAJCTRK-MRXNPFEDSA-N 0 0 317.345 0.525 50 0 DCAARN CC(C)(C)n1ncc2c1nc(N1CCC[C@H](C(N)=O)C1)[nH]c2=O ZINC000068880917 396065455 /nfs/dbraw/zinc/06/54/55/396065455.db2.gz FNWJATGRYHCWRP-VIFPVBQESA-N 0 0 318.381 0.576 50 0 DCAARN O=C(c1cccs1)N1CCN(CCCn2cnnn2)CC1 ZINC000252478832 396020011 /nfs/dbraw/zinc/02/00/11/396020011.db2.gz AVQBDMUYSOHRQO-UHFFFAOYSA-N 0 0 306.395 0.583 50 0 DCAARN Cn1ccc2cc([C@H](O)CNC(=O)N3CCNC3=O)ccc21 ZINC000252492548 396020978 /nfs/dbraw/zinc/02/09/78/396020978.db2.gz MPAGDYYIDKILKY-CYBMUJFWSA-N 0 0 302.334 0.947 50 0 DCAARN C[C@H](O)CN1CCN(CC(=O)NCCCc2ccccc2)CC1 ZINC000069652515 396086410 /nfs/dbraw/zinc/08/64/10/396086410.db2.gz LZAWBBCBCJLGCZ-INIZCTEOSA-N 0 0 319.449 0.734 50 0 DCAARN Cc1noc(C)c1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000069708108 396087922 /nfs/dbraw/zinc/08/79/22/396087922.db2.gz FLTOTODDTPHVLC-NSHDSACASA-N 0 0 315.395 0.835 50 0 DCAARN Cc1nn2cccnc2c1C(=O)NCCNc1ccc(C)nn1 ZINC000069807706 396090744 /nfs/dbraw/zinc/09/07/44/396090744.db2.gz PCBLGMVDZQTLPX-UHFFFAOYSA-N 0 0 311.349 0.978 50 0 DCAARN COc1cccc(CNC(=O)c2nnn3cc(C)[nH]c(=O)c23)c1 ZINC000169768976 396090915 /nfs/dbraw/zinc/09/09/15/396090915.db2.gz KJZUBMWTTUXCKI-UHFFFAOYSA-N 0 0 313.317 0.665 50 0 DCAARN CN(C)c1nccnc1O[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000169756439 396090978 /nfs/dbraw/zinc/09/09/78/396090978.db2.gz CDGXQAYDALFHDR-SNVBAGLBSA-N 0 0 302.338 0.559 50 0 DCAARN Cc1cccc(C(=O)N2CCN([C@@H]3CCN(C)C3=O)CC2)c1 ZINC000169757030 396091095 /nfs/dbraw/zinc/09/10/95/396091095.db2.gz PQGBLDMATMXRAX-OAHLLOKOSA-N 0 0 301.390 0.984 50 0 DCAARN CCS(=O)(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000069815012 396091293 /nfs/dbraw/zinc/09/12/93/396091293.db2.gz FHAGXKSVEGBXBP-UHFFFAOYSA-N 0 0 306.409 0.522 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000069842526 396091824 /nfs/dbraw/zinc/09/18/24/396091824.db2.gz HWOOLXRSFWNCPR-CYBMUJFWSA-N 0 0 306.362 0.944 50 0 DCAARN CNC(=O)N1CCC([C@@H]2CCN(C(=O)c3cncn3C)C2)CC1 ZINC000169781821 396091789 /nfs/dbraw/zinc/09/17/89/396091789.db2.gz FVALKBWDIQYNHY-CYBMUJFWSA-N 0 0 319.409 0.934 50 0 DCAARN CN([C@@H]1CCc2nn(CC3CC3)c(=O)n2CC1)S(C)(=O)=O ZINC000169783442 396091821 /nfs/dbraw/zinc/09/18/21/396091821.db2.gz BGJULSDZXQWVMJ-LLVKDONJSA-N 0 0 314.411 0.051 50 0 DCAARN CCS(=O)(=O)N1CCC2(CN(C(C)=O)C[C@@H]2COC)CC1 ZINC000169782527 396091876 /nfs/dbraw/zinc/09/18/76/396091876.db2.gz WEWNNRBLYQWHKI-CYBMUJFWSA-N 0 0 318.439 0.543 50 0 DCAARN CNC(=O)N1CCC([C@H]2CCN(C(=O)NCCOC)C2)CC1 ZINC000169781646 396092074 /nfs/dbraw/zinc/09/20/74/396092074.db2.gz HHTYIZXAGCYGHD-ZDUSSCGKSA-N 0 0 312.414 0.716 50 0 DCAARN CC(C)=CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 ZINC000069841274 396092301 /nfs/dbraw/zinc/09/23/01/396092301.db2.gz KPZQPNVESYWXJW-QWHCGFSZSA-N 0 0 300.424 0.720 50 0 DCAARN O=C(NCCc1ccccc1)[C@@H]1CCN(c2cn[nH]c(=O)c2)C1 ZINC000169785394 396092611 /nfs/dbraw/zinc/09/26/11/396092611.db2.gz JEAQXTFVEOQBCL-CQSZACIVSA-N 0 0 312.373 0.955 50 0 DCAARN COCc1nnc2n1CC[C@@H](NC(=O)c1cnn(C)c1)CC2 ZINC000169790352 396093403 /nfs/dbraw/zinc/09/34/03/396093403.db2.gz QNBQKJSMTSWGDJ-NSHDSACASA-N 0 0 304.354 0.293 50 0 DCAARN CC(C)NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000170075941 396094265 /nfs/dbraw/zinc/09/42/65/396094265.db2.gz RYRZKGHJDMZSRW-UHFFFAOYSA-N 0 0 312.391 0.767 50 0 DCAARN COc1cccc(OCC(=O)NCC2N=NC(=S)N2C)c1 ZINC000170623275 396095939 /nfs/dbraw/zinc/09/59/39/396095939.db2.gz OZYLAIVSPCDOLF-UHFFFAOYSA-N 0 0 308.363 0.808 50 0 DCAARN CN(C)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)cc1O ZINC000170616583 396095966 /nfs/dbraw/zinc/09/59/66/396095966.db2.gz YRRDEXFSLSWOAH-UHFFFAOYSA-N 0 0 307.281 0.962 50 0 DCAARN Cc1n[nH]nc1C(=O)OCCNS(=O)(=O)c1ccccc1 ZINC000170618466 396095988 /nfs/dbraw/zinc/09/59/88/396095988.db2.gz GGYKATHUWWCNES-UHFFFAOYSA-N 0 0 310.335 0.248 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000170619445 396096437 /nfs/dbraw/zinc/09/64/37/396096437.db2.gz IQXZVTBEMKICTR-GXTWGEPZSA-N 0 0 315.377 0.667 50 0 DCAARN NC(=O)NC(=O)CCN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O ZINC000070014666 396097556 /nfs/dbraw/zinc/09/75/56/396097556.db2.gz JGHOSKYUCXKLMT-SNVBAGLBSA-N 0 0 321.308 0.328 50 0 DCAARN CCOCCCNc1nc2nn[nH]c2c(N2CCOCC2)n1 ZINC000070637484 396102614 /nfs/dbraw/zinc/10/26/14/396102614.db2.gz BOVBZWLHWCQLPC-UHFFFAOYSA-N 0 0 307.358 0.423 50 0 DCAARN Cc1cc(C(=O)NC[C@H]2CCCO2)nc(N2CCOCC2)n1 ZINC000071195512 396110751 /nfs/dbraw/zinc/11/07/51/396110751.db2.gz MNEMPBLSRHGIPX-GFCCVEGCSA-N 0 0 306.366 0.530 50 0 DCAARN Nc1n[nH]c(C(=O)NC2CCN(c3ccc(Cl)nn3)CC2)n1 ZINC000071639572 396114584 /nfs/dbraw/zinc/11/45/84/396114584.db2.gz RTADSAGIOSHCPJ-UHFFFAOYSA-N 0 0 322.760 0.229 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)C2CCN(c3ncccn3)CC2)C1 ZINC000071821060 396116078 /nfs/dbraw/zinc/11/60/78/396116078.db2.gz PWSMASPXYNTCLS-LBPRGKRZSA-N 0 0 303.366 0.027 50 0 DCAARN O=C(CN1C(=O)CNC1=O)N1CCC(Oc2ccccc2)CC1 ZINC000071823536 396116947 /nfs/dbraw/zinc/11/69/47/396116947.db2.gz VZVVFSLLUNVJKG-UHFFFAOYSA-N 0 0 317.345 0.608 50 0 DCAARN CNC(=O)[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc(F)c(F)c1 ZINC000071832183 396117975 /nfs/dbraw/zinc/11/79/75/396117975.db2.gz QWKSXBMWQIXDGC-LBPRGKRZSA-N 0 0 322.271 0.678 50 0 DCAARN CC(=O)N[C@@H](C)C(=O)N1CCC(Nc2ccc(C)nn2)CC1 ZINC000071863518 396119740 /nfs/dbraw/zinc/11/97/40/396119740.db2.gz ZMKZDYHJHMKPAX-NSHDSACASA-N 0 0 305.382 0.713 50 0 DCAARN O=C(COC(=O)[C@H]1C[C@@H]1c1ccccc1F)N1CCNC(=O)C1 ZINC000071881749 396122449 /nfs/dbraw/zinc/12/24/49/396122449.db2.gz JKSVVUXSAVAPIM-NEPJUHHUSA-N 0 0 320.320 0.431 50 0 DCAARN CC[C@@H](C)C(=O)NCC(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000071911392 396124530 /nfs/dbraw/zinc/12/45/30/396124530.db2.gz DBXQSJZXYJYYSQ-SNVBAGLBSA-N 0 0 313.398 0.884 50 0 DCAARN Cc1cc(C)n([C@@H]2CCN(C(=O)c3cn4c(n3)CNCC4)C2)n1 ZINC000072167319 396127132 /nfs/dbraw/zinc/12/71/32/396127132.db2.gz BDRNVKRBTNAIOW-CYBMUJFWSA-N 0 0 314.393 0.887 50 0 DCAARN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000072254949 396127909 /nfs/dbraw/zinc/12/79/09/396127909.db2.gz JOEVSTOFWPLYLG-QWHCGFSZSA-N 0 0 308.407 0.968 50 0 DCAARN CNS(=O)(=O)Cc1cccc(CNC(=O)[C@@H]2CCCO2)c1 ZINC000069326092 396074623 /nfs/dbraw/zinc/07/46/23/396074623.db2.gz XZXIQTLYHTVIKL-ZDUSSCGKSA-N 0 0 312.391 0.531 50 0 DCAARN O=C(CN1c2ccccc2OCCC1=O)NCCn1ccnc1 ZINC000069381969 396076528 /nfs/dbraw/zinc/07/65/28/396076528.db2.gz SZQAKUCOCSPNPN-UHFFFAOYSA-N 0 0 314.345 0.815 50 0 DCAARN CN(CC(=O)N1CCCC1)C(=O)CN(C)C(=O)OC(C)(C)C ZINC000069438498 396078733 /nfs/dbraw/zinc/07/87/33/396078733.db2.gz QLTVOJIGLFVVHE-UHFFFAOYSA-N 0 0 313.398 0.934 50 0 DCAARN CCN(C(=O)CCc1ccc2c(c1)OCO2)[C@H]1CC(=O)NC1=O ZINC000069457675 396079651 /nfs/dbraw/zinc/07/96/51/396079651.db2.gz VLUOBEDZPPVQLY-NSHDSACASA-N 0 0 318.329 0.612 50 0 DCAARN O=C(CN1CCO[C@H](Cn2cccn2)C1)Nc1nncs1 ZINC000069491929 396080527 /nfs/dbraw/zinc/08/05/27/396080527.db2.gz WLVIPJUWIUMRNU-JTQLQIEISA-N 0 0 308.367 0.074 50 0 DCAARN O=C(CN1CCC[C@@H]1Cn1cncn1)NCc1ccccn1 ZINC000069620997 396084385 /nfs/dbraw/zinc/08/43/85/396084385.db2.gz DFZLROHBNJSYOT-CQSZACIVSA-N 0 0 300.366 0.454 50 0 DCAARN C[C@@H]1CN(c2cc(N3CCC[C@@H]3C(N)=O)ncn2)C[C@H](C)O1 ZINC000069632099 396085257 /nfs/dbraw/zinc/08/52/57/396085257.db2.gz NZGBWCATMWNPEU-GRYCIOLGSA-N 0 0 305.382 0.544 50 0 DCAARN COCCCNC(=O)[C@@H](C)N1CCN(c2cccc(F)n2)CC1 ZINC000069633189 396085448 /nfs/dbraw/zinc/08/54/48/396085448.db2.gz ZZWDDCKYIPIHTB-CYBMUJFWSA-N 0 0 324.400 0.884 50 0 DCAARN CC(C)[C@H](NC(N)=O)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000075131346 396176495 /nfs/dbraw/zinc/17/64/95/396176495.db2.gz WQZFCOAEZHNCDO-ZDUSSCGKSA-N 0 0 320.397 0.572 50 0 DCAARN CC(=O)N[C@](C)(C(=O)N1CCC[C@@H](n2cncn2)C1)C1CC1 ZINC000075602639 396181745 /nfs/dbraw/zinc/18/17/45/396181745.db2.gz IOIZXWCOVOPRKS-HIFRSBDPSA-N 0 0 305.382 0.746 50 0 DCAARN COc1ccccc1[C@H]1C[C@H]1C(=O)N1CCN(CCO)CC1 ZINC000075604826 396182344 /nfs/dbraw/zinc/18/23/44/396182344.db2.gz GDMAUJYSURMVPL-HUUCEWRRSA-N 0 0 304.390 0.935 50 0 DCAARN CS(=O)(=O)NCCN1CCC[C@@H]1c1noc(C2CC2)n1 ZINC000076047446 396192660 /nfs/dbraw/zinc/19/26/60/396192660.db2.gz CNNIRMCAIXVFRR-SNVBAGLBSA-N 0 0 300.384 0.633 50 0 DCAARN CCCc1nnc([C@@H]2CN(CCS(=O)(=O)CC)CCO2)[nH]1 ZINC000076049180 396193614 /nfs/dbraw/zinc/19/36/14/396193614.db2.gz HNBPEBWRHUYGIF-NSHDSACASA-N 0 0 316.427 0.565 50 0 DCAARN Cn1cc([C@H]2[C@@H](C(=O)OCC(=O)C3CC3)CCC(=O)N2C)cn1 ZINC000078813956 396254559 /nfs/dbraw/zinc/25/45/59/396254559.db2.gz HNRGEOIFTNXETC-WFASDCNBSA-N 0 0 319.361 0.852 50 0 DCAARN Cn1cccc1-c1cc(C(=O)N2CCOC[C@@H](CO)C2)[nH]n1 ZINC000077458958 396223215 /nfs/dbraw/zinc/22/32/15/396223215.db2.gz ZUBVEHBFERPFSB-LLVKDONJSA-N 0 0 304.350 0.496 50 0 DCAARN Cc1ccc(C(=O)c2c(CN3CC3)n(C)c(=O)n(C)c2=O)cc1 ZINC000036366514 292080546 /nfs/dbraw/zinc/08/05/46/292080546.db2.gz BGBYWAIXYDBIBL-UHFFFAOYSA-N 0 0 313.357 0.439 50 0 DCAARN COCCOCCS(=O)(=O)N1C[C@H](CO)c2ccccc21 ZINC000292816495 396570670 /nfs/dbraw/zinc/57/06/70/396570670.db2.gz TZUVWPSELVRJHU-GFCCVEGCSA-N 0 0 315.391 0.575 50 0 DCAARN Cc1nonc1CNC(=O)[C@H](c1cccnc1)N1CCOCC1 ZINC000584889812 396632904 /nfs/dbraw/zinc/63/29/04/396632904.db2.gz BBNNCJOAXQCCIB-AWEZNQCLSA-N 0 0 317.349 0.463 50 0 DCAARN O=C1CN(CCCn2cnc3c(F)cccc3c2=O)CCN1 ZINC000584889986 396633251 /nfs/dbraw/zinc/63/32/51/396633251.db2.gz KGXYWXSXYUBMAT-UHFFFAOYSA-N 0 0 304.325 0.358 50 0 DCAARN O=C(N[C@H]1CCCN(c2cnccn2)C1)c1ccc2nnnn2c1 ZINC000584890318 396633336 /nfs/dbraw/zinc/63/33/36/396633336.db2.gz ZJHJWBXFNGBAAS-LBPRGKRZSA-N 0 0 324.348 0.313 50 0 DCAARN Cc1n[nH]nc1C(=O)N(C)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000584888187 396633529 /nfs/dbraw/zinc/63/35/29/396633529.db2.gz NCSGHJZIXUWREX-LLVKDONJSA-N 0 0 305.382 0.976 50 0 DCAARN O=C(c1cncc(=O)[nH]1)N1CCCN(C(=O)C2CCC2)CC1 ZINC000584890255 396633546 /nfs/dbraw/zinc/63/35/46/396633546.db2.gz AARISGFARFAJAP-UHFFFAOYSA-N 0 0 304.350 0.245 50 0 DCAARN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1nc2ccccc2[nH]1 ZINC000584894284 396635020 /nfs/dbraw/zinc/63/50/20/396635020.db2.gz KLFCFMSRTPNYPD-GHMZBOCLSA-N 0 0 309.347 0.105 50 0 DCAARN CN(C)C(=O)NCC(=O)N1CCC[C@@H](CN2CCCC2=O)C1 ZINC000584896933 396635794 /nfs/dbraw/zinc/63/57/94/396635794.db2.gz BIXXTTANGSDNBL-LBPRGKRZSA-N 0 0 310.398 0.119 50 0 DCAARN O=C(NCCC(=O)N1CCCC1)NC[C@@H](O)Cc1ccccc1 ZINC000584901832 396636935 /nfs/dbraw/zinc/63/69/35/396636935.db2.gz HVUFHBMTCVDIBH-HNNXBMFYSA-N 0 0 319.405 0.902 50 0 DCAARN CCO[C@H](CS(=O)(=O)N1CC(=O)N(C)[C@@H](C)C1)C1CC1 ZINC000625189366 396798162 /nfs/dbraw/zinc/79/81/62/396798162.db2.gz QUDMOYWZBCCCHS-CMPLNLGQSA-N 0 0 304.412 0.294 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)c2ccc3nccn3c2)CC1 ZINC000590659739 396820623 /nfs/dbraw/zinc/82/06/23/396820623.db2.gz NCRMKXLKCNKVTA-UHFFFAOYSA-N 0 0 322.390 0.488 50 0 DCAARN COCCNC(=O)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 ZINC000618256814 396942390 /nfs/dbraw/zinc/94/23/90/396942390.db2.gz XOFMTCKIEKRZMV-UHFFFAOYSA-N 0 0 324.381 0.233 50 0 DCAARN O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)O[C@@H]1CCOC1 ZINC000390832474 397303147 /nfs/dbraw/zinc/30/31/47/397303147.db2.gz ZPMGRYURZZAXQP-GHMZBOCLSA-N 0 0 318.337 0.218 50 0 DCAARN Cc1cc(C(=O)NCCN2C(=O)c3cccnc3C2=O)no1 ZINC000390832009 397303580 /nfs/dbraw/zinc/30/35/80/397303580.db2.gz WPBXWHGJEISBGB-UHFFFAOYSA-N 0 0 300.274 0.404 50 0 DCAARN Cc1ccc(/C=C\C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)o1 ZINC000492225696 397518930 /nfs/dbraw/zinc/51/89/30/397518930.db2.gz KHBVSVMZYSQFIF-FOQNGQEVSA-N 0 0 312.391 0.999 50 0 DCAARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C(=O)N2C)cc1 ZINC000004005776 286325100 /nfs/dbraw/zinc/32/51/00/286325100.db2.gz HDQPYEDQLSQDIF-XJFOESAGSA-N 0 0 312.325 0.827 50 0 DCAARN O=C(c1ccsc1)N1CCCN(C(=O)c2cn[nH]n2)CC1 ZINC000328905490 159039596 /nfs/dbraw/zinc/03/95/96/159039596.db2.gz KBWADPMHCPRRFS-UHFFFAOYSA-N 0 0 305.363 0.855 50 0 DCAARN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@H](F)C[C@H]1CO ZINC000330180897 159148108 /nfs/dbraw/zinc/14/81/08/159148108.db2.gz NPZRTDIIFNJSKG-YVECIDJPSA-N 0 0 311.357 0.912 50 0 DCAARN C[C@H](Oc1cccnc1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000330534494 159187777 /nfs/dbraw/zinc/18/77/77/159187777.db2.gz USBPOOXEHOGYCE-CMPLNLGQSA-N 0 0 313.379 0.128 50 0 DCAARN Cc1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)n1 ZINC000069482351 292426688 /nfs/dbraw/zinc/42/66/88/292426688.db2.gz YFLKOUZCNLLQBL-KGLIPLIRSA-N 0 0 323.418 0.381 50 0 DCAARN CC[C@@H]1CN(C(=O)[C@H](CC(C)C)NS(C)(=O)=O)CCO1 ZINC000040512933 287164947 /nfs/dbraw/zinc/16/49/47/287164947.db2.gz XBVZUGOCFSLXMD-NEPJUHHUSA-N 0 0 306.428 0.588 50 0 DCAARN C[C@@H](CN(C)c1ccc2nnc(C(F)F)n2n1)c1nn[nH]n1 ZINC000132891568 196293649 /nfs/dbraw/zinc/29/36/49/196293649.db2.gz GRFSVMSTNGEAGO-LURJTMIESA-N 0 0 309.284 0.815 50 0 DCAARN Cc1cc(CN(C)C(=O)[C@@H]2CCCCN2S(C)(=O)=O)no1 ZINC000025137754 415156605 /nfs/dbraw/zinc/15/66/05/415156605.db2.gz XMXLLKGHAQISJO-LBPRGKRZSA-N 0 0 315.395 0.756 50 0 DCAARN Cc1cc(OCC(=O)N2CCN(C(=O)c3ccoc3)CC2)no1 ZINC000025236472 415160929 /nfs/dbraw/zinc/16/09/29/415160929.db2.gz RVPRUVNHCMOAEL-UHFFFAOYSA-N 0 0 319.317 0.939 50 0 DCAARN CN(C)C(=O)c1cccc(NC(=O)CN2CSCC2=O)c1 ZINC000025326232 415161923 /nfs/dbraw/zinc/16/19/23/415161923.db2.gz LDYOQFRJIOWBEQ-UHFFFAOYSA-N 0 0 307.375 0.860 50 0 DCAARN CC(C)[NH+]1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)CC1 ZINC000003882701 415127980 /nfs/dbraw/zinc/12/79/80/415127980.db2.gz WPMPUQODTSAUIV-XJIUQZFPSA-N 0 0 320.389 0.726 50 0 DCAARN CC(C)[C@@H](OC(=O)CN1CCCCCC1=O)C(=O)NC(N)=O ZINC000005539809 415134027 /nfs/dbraw/zinc/13/40/27/415134027.db2.gz OJQVXGKIWIMQDG-GFCCVEGCSA-N 0 0 313.354 0.152 50 0 DCAARN O=C(COC(=O)[C@@H]1CCCO1)NCc1ccc2c(c1)OCO2 ZINC000007034385 415137820 /nfs/dbraw/zinc/13/78/20/415137820.db2.gz SMCNAGMQVKRATQ-LBPRGKRZSA-N 0 0 307.302 0.754 50 0 DCAARN CCOC(=O)CSCC(=O)NC(=O)NCc1ccco1 ZINC000007506430 415139970 /nfs/dbraw/zinc/13/99/70/415139970.db2.gz LEWNDYFFQYDGQL-UHFFFAOYSA-N 0 0 300.336 0.902 50 0 DCAARN COCCn1ccc2nc(N3CCN(C)CC3)ncc2c1=O ZINC000009290357 415144965 /nfs/dbraw/zinc/14/49/65/415144965.db2.gz PMXABMMDRDRBGB-UHFFFAOYSA-N 0 0 303.366 0.190 50 0 DCAARN CN1CC(=O)N(CC(=O)NCCc2cccc(Cl)c2)C1=O ZINC000008068321 415145093 /nfs/dbraw/zinc/14/50/93/415145093.db2.gz VUKCOEMBRKDOLZ-UHFFFAOYSA-N 0 0 309.753 0.893 50 0 DCAARN Cc1ccsc1CNC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC000025720519 415166385 /nfs/dbraw/zinc/16/63/85/415166385.db2.gz NKHATNRUROBWAQ-UHFFFAOYSA-N 0 0 307.375 0.991 50 0 DCAARN C[C@@H](CNC1=NS(=O)(=O)c2ccccc21)N1CCOCC1 ZINC000027349097 415166772 /nfs/dbraw/zinc/16/67/72/415166772.db2.gz BYVZAQXCNVDWII-NSHDSACASA-N 0 0 309.391 0.446 50 0 DCAARN COC(=O)C1CCN(CCn2nc3ccccn3c2=O)CC1 ZINC000026898435 415166826 /nfs/dbraw/zinc/16/68/26/415166826.db2.gz XNGGDNKCGBNQAV-UHFFFAOYSA-N 0 0 304.350 0.381 50 0 DCAARN CC(=O)N1CCCN(CCn2nc3ccccn3c2=O)CC1 ZINC000026910580 415168455 /nfs/dbraw/zinc/16/84/55/415168455.db2.gz ZYYVQWSWRCUKBS-UHFFFAOYSA-N 0 0 303.366 0.050 50 0 DCAARN CNS(=O)(=O)c1cccc(CNC(=O)c2cnccn2)c1 ZINC000027346917 415168571 /nfs/dbraw/zinc/16/85/71/415168571.db2.gz XVBSCFACEQXTSD-UHFFFAOYSA-N 0 0 306.347 0.315 50 0 DCAARN CC[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1OC ZINC000027130764 415168843 /nfs/dbraw/zinc/16/88/43/415168843.db2.gz BFZDLHWTBPZEED-LBPRGKRZSA-N 0 0 317.345 0.813 50 0 DCAARN COc1cc(F)c(S(=O)(=O)N2CCN(C)CC2)cc1OC ZINC000027931159 415173840 /nfs/dbraw/zinc/17/38/40/415173840.db2.gz TUFKVLGJFKAKLE-UHFFFAOYSA-N 0 0 318.370 0.779 50 0 DCAARN Cc1nnc(NC(=O)Cn2cnc3onc(C)c3c2=O)s1 ZINC000035507454 415188149 /nfs/dbraw/zinc/18/81/49/415188149.db2.gz QAAXXNKZFXKUIM-UHFFFAOYSA-N 0 0 306.307 0.492 50 0 DCAARN CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@@H]1CCOC1=O)C2=O ZINC000041295015 415197459 /nfs/dbraw/zinc/19/74/59/415197459.db2.gz PRLWLEWOXSYDJU-KGXJWFGYSA-N 0 0 324.333 0.346 50 0 DCAARN O=C(CNC(=O)c1ccco1)Nc1ccc(-n2cncn2)nc1 ZINC000044909221 415232489 /nfs/dbraw/zinc/23/24/89/415232489.db2.gz REEDDIMNWNNKFY-UHFFFAOYSA-N 0 0 312.289 0.624 50 0 DCAARN Cc1cc(=O)n2nc(N3CCC[C@H]3C(=O)NC3CC3)sc2n1 ZINC000044913953 415232790 /nfs/dbraw/zinc/23/27/90/415232790.db2.gz UMTSCBCWGJOMKA-JTQLQIEISA-N 0 0 319.390 0.707 50 0 DCAARN C[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(F)c(F)c2)CCO1 ZINC000044948321 415235008 /nfs/dbraw/zinc/23/50/08/415235008.db2.gz OGIONFORUPFBGG-VIFPVBQESA-N 0 0 319.329 0.986 50 0 DCAARN Cc1noc(CCCC(=O)NCCN2C[C@H](C)O[C@@H](C)C2)n1 ZINC000044939689 415235304 /nfs/dbraw/zinc/23/53/04/415235304.db2.gz KYTQMWWWCPAKOL-RYUDHWBXSA-N 0 0 310.398 0.926 50 0 DCAARN CC(=O)N[C@H](C(=O)N(C)Cc1nnc2n1CCC2)C1CCCC1 ZINC000044934936 415235355 /nfs/dbraw/zinc/23/53/55/415235355.db2.gz YLZRBFOPTSLQAO-HNNXBMFYSA-N 0 0 319.409 0.878 50 0 DCAARN C[C@H](C(=O)NCCc1ccc(-n2cccn2)cc1)S(C)(=O)=O ZINC000044936757 415235503 /nfs/dbraw/zinc/23/55/03/415235503.db2.gz UBAXDQCYOCBOFI-GFCCVEGCSA-N 0 0 321.402 0.964 50 0 DCAARN CC(C)N(CCCNC(=O)N1CCOC[C@H]1C)S(C)(=O)=O ZINC000044971456 415238099 /nfs/dbraw/zinc/23/80/99/415238099.db2.gz WLHKJFCPKXZIRL-GFCCVEGCSA-N 0 0 321.443 0.477 50 0 DCAARN C[C@@H](OCc1ccccc1)C(=O)NC1CCN(CC(N)=O)CC1 ZINC000046737140 415258775 /nfs/dbraw/zinc/25/87/75/415258775.db2.gz JGMMZCSLMHJXDH-CYBMUJFWSA-N 0 0 319.405 0.658 50 0 DCAARN CC(C)N1C[C@@H](C(=O)NCCNC(=O)c2cccs2)CC1=O ZINC000046202675 415259687 /nfs/dbraw/zinc/25/96/87/415259687.db2.gz DWQNBUFUAUKKSZ-NSHDSACASA-N 0 0 323.418 0.851 50 0 DCAARN CC[C@@H]1CN(C(=O)Cc2csc(N3CCNC3=O)n2)CCO1 ZINC000046764569 415262887 /nfs/dbraw/zinc/26/28/87/415262887.db2.gz FJCJGQRWMBSHPM-LLVKDONJSA-N 0 0 324.406 0.853 50 0 DCAARN O=C(NCCCn1ccnc1)NC[C@H]1CCS(=O)(=O)C1 ZINC000047597469 415274335 /nfs/dbraw/zinc/27/43/35/415274335.db2.gz IOUQMPJANYFVDB-LLVKDONJSA-N 0 0 300.384 0.007 50 0 DCAARN COCCOCCCNC(=O)c1cccc(OCC(N)=O)c1 ZINC000047631513 415274436 /nfs/dbraw/zinc/27/44/36/415274436.db2.gz SXSKXXLXNBBLRN-UHFFFAOYSA-N 0 0 310.350 0.334 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccncc2)n(C)c1 ZINC000047632321 415275059 /nfs/dbraw/zinc/27/50/59/415275059.db2.gz LETZZGBMBVNUBA-UHFFFAOYSA-N 0 0 322.390 0.600 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cnn(-c2ccccc2)n1 ZINC000044457075 415221088 /nfs/dbraw/zinc/22/10/88/415221088.db2.gz MHJMPZWIAXJXKY-NSHDSACASA-N 0 0 320.374 0.432 50 0 DCAARN Cc1cc([C@H]2CCCN2C(=O)CC[C@H]2NC(=O)NC2=O)no1 ZINC000044710407 415223701 /nfs/dbraw/zinc/22/37/01/415223701.db2.gz WJVUKYXUBQDVOY-MWLCHTKSSA-N 0 0 306.322 0.635 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cnc2ccc(F)cc2c1O ZINC000044891633 415229281 /nfs/dbraw/zinc/22/92/81/415229281.db2.gz BXTSXVWJKHJNAT-VIFPVBQESA-N 0 0 324.333 0.584 50 0 DCAARN NC(=O)N1CCC[C@H](C(=O)NCc2ccc3c(c2)OCCO3)C1 ZINC000044872386 415229880 /nfs/dbraw/zinc/22/98/80/415229880.db2.gz CBCVMTLBUCDQFY-LBPRGKRZSA-N 0 0 319.361 0.865 50 0 DCAARN COC(=O)c1nn(CC(=O)Nc2cn(C)nn2)c2ccccc21 ZINC000048194354 415287966 /nfs/dbraw/zinc/28/79/66/415287966.db2.gz NMOPSEZHZBFTCX-UHFFFAOYSA-N 0 0 314.305 0.590 50 0 DCAARN CCCn1nc(C(=O)N2CCC(CNC(C)=O)CC2)ccc1=O ZINC000048278298 415287991 /nfs/dbraw/zinc/28/79/91/415287991.db2.gz VYZCMPPFOOEBAK-UHFFFAOYSA-N 0 0 320.393 0.642 50 0 DCAARN COc1ccc(OC)c([C@H](C)NC(=O)CN2CCNC(=O)C2)c1 ZINC000057435058 415337162 /nfs/dbraw/zinc/33/71/62/415337162.db2.gz OITCYYPFTRKYMH-NSHDSACASA-N 0 0 321.377 0.313 50 0 DCAARN CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000058306801 415343426 /nfs/dbraw/zinc/34/34/26/415343426.db2.gz YRPKIBNTURVGKY-UHFFFAOYSA-N 0 0 303.409 0.502 50 0 DCAARN COc1ccc(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)nn1 ZINC000332334407 415349026 /nfs/dbraw/zinc/34/90/26/415349026.db2.gz PSUVDRKNESXWMX-MRVPVSSYSA-N 0 0 305.294 0.594 50 0 DCAARN CCNC(=O)N1CCN(C(=O)c2cccc3c2OCCO3)CC1 ZINC000068250279 415395973 /nfs/dbraw/zinc/39/59/73/415395973.db2.gz KDROXFCKMQSQOH-UHFFFAOYSA-N 0 0 319.361 0.945 50 0 DCAARN CN(C)S(=O)(=O)/C=C/c1ccc(S(=O)(=O)N(C)C)s1 ZINC000068675329 415396315 /nfs/dbraw/zinc/39/63/15/415396315.db2.gz CVSLCKSGTLUKIQ-BQYQJAHWSA-N 0 0 324.449 0.861 50 0 DCAARN Cc1cc(NC(=O)N2CC(=O)NC(=O)C23CCCCC3)n(C)n1 ZINC000069844888 415398892 /nfs/dbraw/zinc/39/88/92/415398892.db2.gz ANNJUOPXQAXTEL-UHFFFAOYSA-N 0 0 319.365 0.922 50 0 DCAARN O=C(COC[C@@H]1CCCCO1)N1CCc2c(=O)[nH]cnc2C1 ZINC000072149629 415407705 /nfs/dbraw/zinc/40/77/05/415407705.db2.gz FMWVDJHXIHSBMV-NSHDSACASA-N 0 0 307.350 0.240 50 0 DCAARN Cc1cccc(CN2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)c1 ZINC000072408721 415415232 /nfs/dbraw/zinc/41/52/32/415415232.db2.gz OAXAYNVAMYNBNB-AWEZNQCLSA-N 0 0 302.378 0.321 50 0 DCAARN CCNC(=O)c1cc(Cl)ccc1NC(=O)Cn1cnnn1 ZINC000067170958 415375700 /nfs/dbraw/zinc/37/57/00/415375700.db2.gz WLIPZHDCEGPBTR-UHFFFAOYSA-N 0 0 308.729 0.715 50 0 DCAARN CCc1[nH]nc(C(=O)N2CCC3(CC2)C(=O)NCCN3C)c1C ZINC000067868113 415389562 /nfs/dbraw/zinc/38/95/62/415389562.db2.gz CNNYXCOJUKWMAW-UHFFFAOYSA-N 0 0 319.409 0.317 50 0 DCAARN Cc1nn2c(nnc2SCC(=O)Nc2ccncc2)[nH]c1=O ZINC000075094311 415433876 /nfs/dbraw/zinc/43/38/76/415433876.db2.gz USWIQCCTESYGSR-UHFFFAOYSA-N 0 0 317.334 0.659 50 0 DCAARN CC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)COc1ccccc1 ZINC000075145627 415437354 /nfs/dbraw/zinc/43/73/54/415437354.db2.gz WUDOCHJACHQKPS-JSGCOSHPSA-N 0 0 321.329 0.159 50 0 DCAARN COc1ccc(NC(=O)NCCCN2C(=O)CCC2=O)cn1 ZINC000075133434 415438622 /nfs/dbraw/zinc/43/86/22/415438622.db2.gz UNHCKLDOHICCAH-UHFFFAOYSA-N 0 0 306.322 0.751 50 0 DCAARN COc1cccc(-c2cc(C(=O)N[C@@H]3CNC(=O)C3)[nH]n2)c1 ZINC000075158222 415441613 /nfs/dbraw/zinc/44/16/13/415441613.db2.gz JVSCMZXJZDIAPJ-JTQLQIEISA-N 0 0 300.318 0.704 50 0 DCAARN Cc1cc(C)n(CCN2CCCN(S(C)(=O)=O)CC2)n1 ZINC000075162644 415442427 /nfs/dbraw/zinc/44/24/27/415442427.db2.gz DRGYRTKIZLMEKS-UHFFFAOYSA-N 0 0 300.428 0.467 50 0 DCAARN C[C@@H]1C[C@@H](C)CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000095098728 415547569 /nfs/dbraw/zinc/54/75/69/415547569.db2.gz IACWJRHJSMKDEU-NXEZZACHSA-N 0 0 305.382 0.438 50 0 DCAARN COc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(C(N)=O)CC2)c(OC)n1 ZINC000095354457 415551944 /nfs/dbraw/zinc/55/19/44/415551944.db2.gz ZPXXYDRENXCGQG-LBPRGKRZSA-N 0 0 323.349 0.422 50 0 DCAARN Cc1nc(C)n(CCNc2nc(C)ncc2S(C)(=O)=O)n1 ZINC000095356812 415553138 /nfs/dbraw/zinc/55/31/38/415553138.db2.gz GNYZPWPMXVYIOC-UHFFFAOYSA-N 0 0 310.383 0.509 50 0 DCAARN O=C(N[C@H]1CCCCNC1=O)c1cnc(-c2ccncc2)nc1 ZINC000095371540 415555193 /nfs/dbraw/zinc/55/51/93/415555193.db2.gz VJIMSBXWDMMTHD-ZDUSSCGKSA-N 0 0 311.345 0.937 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)c2ccn(C(F)F)n2)CC1 ZINC000095372722 415558300 /nfs/dbraw/zinc/55/83/00/415558300.db2.gz CFRBHNIQIUJFMK-UHFFFAOYSA-N 0 0 322.337 0.432 50 0 DCAARN Cc1[nH]cc(C(=O)NC[C@@H](O)C2CC2)c(=O)c1Br ZINC000096004817 415567765 /nfs/dbraw/zinc/56/77/65/415567765.db2.gz HUKBSXQNKURBJF-SECBINFHSA-N 0 0 315.167 0.947 50 0 DCAARN CC(C)Cn1cnc(S(=O)(=O)NC[C@@H]2CCC[C@H]2O)c1 ZINC000095975519 415567997 /nfs/dbraw/zinc/56/79/97/415567997.db2.gz CZNYOEYZLMFFEF-NWDGAFQWSA-N 0 0 301.412 0.978 50 0 DCAARN NS(=O)(=O)N1CCN(c2nc(C(F)(F)F)cs2)CC1 ZINC000095966332 415568721 /nfs/dbraw/zinc/56/87/21/415568721.db2.gz AEJBATVEMMBVCW-UHFFFAOYSA-N 0 0 316.330 0.487 50 0 DCAARN O=C(Cn1cnnn1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000095978288 415569679 /nfs/dbraw/zinc/56/96/79/415569679.db2.gz DVIVDHGWVGHRBC-VIFPVBQESA-N 0 0 324.747 0.861 50 0 DCAARN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCO3)C[C@H](C(N)=O)O1 ZINC000095965829 415569723 /nfs/dbraw/zinc/56/97/23/415569723.db2.gz RDUWMFKEYVUARV-PRHODGIISA-N 0 0 307.306 0.522 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H](O)c1cccn1C ZINC000096025749 415571550 /nfs/dbraw/zinc/57/15/50/415571550.db2.gz OBQAEFWCEKZBDQ-LBPRGKRZSA-N 0 0 312.395 0.387 50 0 DCAARN CCN1C(=O)C[C@@H](N2CCN(c3ccc(O)cc3)CC2)C1=O ZINC000102845738 415602719 /nfs/dbraw/zinc/60/27/19/415602719.db2.gz CISBHSPZJXVBSQ-CQSZACIVSA-N 0 0 303.362 0.662 50 0 DCAARN CCN(C(=O)c1ccc(OC)c(OC)c1)[C@@H]1CC(=O)NC1=O ZINC000103387800 415617534 /nfs/dbraw/zinc/61/75/34/415617534.db2.gz GNHSTRHTDGYVPK-SNVBAGLBSA-N 0 0 306.318 0.581 50 0 DCAARN CCNC(=O)COc1cccc(N[C@@H]2CC(=O)N(CC)C2=O)c1 ZINC000103514848 415619835 /nfs/dbraw/zinc/61/98/35/415619835.db2.gz HMXRVONRSXNMLV-CYBMUJFWSA-N 0 0 319.361 0.761 50 0 DCAARN O=C(N1CCCC1)N1CCN(c2noc(C3CC3)n2)C[C@H](O)C1 ZINC000097172913 415586493 /nfs/dbraw/zinc/58/64/93/415586493.db2.gz WOKTVOVJCSNAOJ-LBPRGKRZSA-N 0 0 321.381 0.646 50 0 DCAARN Cn1cc(S(=O)(=O)N(CC(F)F)C2CC2)cc1C(N)=O ZINC000106896348 415650134 /nfs/dbraw/zinc/65/01/34/415650134.db2.gz NZLDUCFDXYQPHI-UHFFFAOYSA-N 0 0 307.322 0.542 50 0 DCAARN NC(=O)[C@]1(O)CCCN(c2ncccc2Br)C1 ZINC000284733163 415600035 /nfs/dbraw/zinc/60/00/35/415600035.db2.gz VWOHKXBGLSCIGG-NSHDSACASA-N 0 0 300.156 0.661 50 0 DCAARN CCN1CCCC[C@@H]1C(=O)O[C@H](C)c1cn(CC(=O)OC)nn1 ZINC000108397293 415680261 /nfs/dbraw/zinc/68/02/61/415680261.db2.gz MWVVTGBHYBCCMR-DGCLKSJQSA-N 0 0 324.381 0.930 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCN(C(=O)Cc2[nH]nc3ccccc32)C1 ZINC000299755580 416064063 /nfs/dbraw/zinc/06/40/63/416064063.db2.gz FVFZDKKUQGVRCU-SNVBAGLBSA-N 0 0 322.390 0.242 50 0 DCAARN Cc1nnc(CN2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)o1 ZINC000299757583 416064215 /nfs/dbraw/zinc/06/42/15/416064215.db2.gz HHSCOKKUBTVYOT-XFMPKHEZSA-N 0 0 309.366 0.366 50 0 DCAARN CC(C)n1cnnc1[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000299778433 416066797 /nfs/dbraw/zinc/06/67/97/416066797.db2.gz MYQFZIHVWCHCTP-MRVPVSSYSA-N 0 0 306.326 0.149 50 0 DCAARN O=C(CN1CCCCCC1=O)NC[C@H](O)c1cccc(O)c1 ZINC000299784228 416067882 /nfs/dbraw/zinc/06/78/82/416067882.db2.gz LNBYPIQMECXKTE-AWEZNQCLSA-N 0 0 306.362 0.944 50 0 DCAARN O=C(c1ncccc1O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299776735 416068201 /nfs/dbraw/zinc/06/82/01/416068201.db2.gz LDDLMIJXZDQMCV-CMPLNLGQSA-N 0 0 301.306 0.365 50 0 DCAARN O=C(NCCN1CCCOC1=O)Nc1cccc2n[nH]nc21 ZINC000299794075 416069719 /nfs/dbraw/zinc/06/97/19/416069719.db2.gz ICMRJHIBELVYHT-UHFFFAOYSA-N 0 0 304.310 0.922 50 0 DCAARN Cn1cncc1C(=O)NC1CCN(C(=O)N2CCCC2)CC1 ZINC000299793810 416070215 /nfs/dbraw/zinc/07/02/15/416070215.db2.gz IMIUXQBYGDALDO-UHFFFAOYSA-N 0 0 305.382 0.830 50 0 DCAARN CCS(=O)(=O)[C@@H](C)C(=O)N1CCc2c(nc(C)[nH]c2=O)C1 ZINC000299795841 416070802 /nfs/dbraw/zinc/07/08/02/416070802.db2.gz PBDAUZNHUBFOBJ-QMMMGPOBSA-N 0 0 313.379 0.199 50 0 DCAARN CC(=O)N1CCC[C@H](CNC(=O)c2cccn3cnnc23)C1 ZINC000299796232 416071610 /nfs/dbraw/zinc/07/16/10/416071610.db2.gz MMFRXUUGEMVNIL-GFCCVEGCSA-N 0 0 301.350 0.718 50 0 DCAARN CO[C@H]1C[C@H](C(=O)N2C[C@H]3CCC[C@@H]3C2)N(S(C)(=O)=O)C1 ZINC000253431596 416334757 /nfs/dbraw/zinc/33/47/57/416334757.db2.gz SNWFQNQIBQVXBN-FVCCEPFGSA-N 0 0 316.423 0.294 50 0 DCAARN O=c1cc2c(n[nH]1)CCN(S(=O)(=O)Cc1ccccc1)C2 ZINC000263619019 416338307 /nfs/dbraw/zinc/33/83/07/416338307.db2.gz WNBFKXZOTXJCSF-UHFFFAOYSA-N 0 0 305.359 0.658 50 0 DCAARN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Cc1[nH]c(O)nc1O ZINC000215348389 416327014 /nfs/dbraw/zinc/32/70/14/416327014.db2.gz HDEABHXXXPPKHS-SECBINFHSA-N 0 0 307.354 0.264 50 0 DCAARN Cc1nnc(CCNC(=O)Cn2nc3ccccc3n2)s1 ZINC000215677942 416327287 /nfs/dbraw/zinc/32/72/87/416327287.db2.gz QEJNWQBYPANKEX-UHFFFAOYSA-N 0 0 302.363 0.950 50 0 DCAARN CCn1ccnc1CN1CCN([C@H]2CCN(C)C2=O)C[C@@H]1C ZINC000241465967 416330215 /nfs/dbraw/zinc/33/02/15/416330215.db2.gz NTOAFTNPEHEJRW-KBPBESRZSA-N 0 0 305.426 0.640 50 0 DCAARN O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)C1=NNC(=O)CC1 ZINC000244633516 416330316 /nfs/dbraw/zinc/33/03/16/416330316.db2.gz GEHUKQOXVDSMNH-SUHUHFCYSA-N 0 0 316.361 0.146 50 0 DCAARN O=C(CN1CCOC1=O)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000243892633 416330579 /nfs/dbraw/zinc/33/05/79/416330579.db2.gz AJTHXUUOVTZHDG-RBSFLKMASA-N 0 0 318.373 0.937 50 0 DCAARN O=C(CN1CCc2ccccc2C1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000244764011 416330830 /nfs/dbraw/zinc/33/08/30/416330830.db2.gz OZRVYKIJDGELBZ-HNNXBMFYSA-N 0 0 315.373 0.708 50 0 DCAARN CC(CO)(CO)CNS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000583651335 416479724 /nfs/dbraw/zinc/47/97/24/416479724.db2.gz KBWOXKGGCQJKBQ-UHFFFAOYSA-N 0 0 311.762 0.748 50 0 DCAARN O=C(NCC1N=NC(=O)N1C1CC1)Nc1ccc(C2CC2)nn1 ZINC000583651972 416482182 /nfs/dbraw/zinc/48/21/82/416482182.db2.gz XGDQHNKMZKMSLN-UHFFFAOYSA-N 0 0 315.337 1.308 50 0 DCAARN Nc1nc(CCNC(=O)[C@@H]2Cc3ccccc3C(=O)N2)cs1 ZINC000584887920 416516512 /nfs/dbraw/zinc/51/65/12/416516512.db2.gz NDDXTZVKHRQHPY-LBPRGKRZSA-N 0 0 316.386 0.739 50 0 DCAARN CC1(C)C[C@H](S(=O)(=O)NCC[C@@]2(O)CCCOC2)CO1 ZINC000585123413 416518132 /nfs/dbraw/zinc/51/81/32/416518132.db2.gz PSYYSOLLUAIHFO-AAEUAGOBSA-N 0 0 307.412 0.405 50 0 DCAARN COCCN1C[C@@H](C(=O)NCc2ccc3c(c2)CCO3)CC1=O ZINC000522255545 417056985 /nfs/dbraw/zinc/05/69/85/417056985.db2.gz DIDXRTBTJGLDIG-AWEZNQCLSA-N 0 0 318.373 0.733 50 0 DCAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@H]1CC(=O)N(C)C1 ZINC000523759150 417092360 /nfs/dbraw/zinc/09/23/60/417092360.db2.gz FUHRSMAFKABWEA-NSHDSACASA-N 0 0 314.411 0.590 50 0 DCAARN O=C(N[C@H]1CCCOc2ccccc21)c1nc2n(n1)CCCN2 ZINC000408513074 417166955 /nfs/dbraw/zinc/16/69/55/417166955.db2.gz MGZJLSAZYNRXMK-LBPRGKRZSA-N 0 0 313.361 0.995 50 0 DCAARN CCO[C@H]1C[C@@H](NC(=O)C2(S(N)(=O)=O)CC2)C1(CC)CC ZINC000408522454 417168163 /nfs/dbraw/zinc/16/81/63/417168163.db2.gz JLEYWQAJHQFSCJ-MNOVXSKESA-N 0 0 318.439 0.908 50 0 DCAARN O=C(NC[C@@H](c1ccco1)n1cccn1)C(=O)Nc1ccon1 ZINC000575613344 417540657 /nfs/dbraw/zinc/54/06/57/417540657.db2.gz GARWXMWERBMQSI-JTQLQIEISA-N 0 0 315.289 0.808 50 0 DCAARN O=C(Cc1ccc2c(c1)OCO2)NCCOCCn1ccnc1 ZINC000575619110 417541501 /nfs/dbraw/zinc/54/15/01/417541501.db2.gz GOUZDRNMAJERGL-UHFFFAOYSA-N 0 0 317.345 0.987 50 0 DCAARN CCOc1cc(NC(=O)Cn2nc(C3CC3)ccc2=O)ncn1 ZINC000575621090 417541561 /nfs/dbraw/zinc/54/15/61/417541561.db2.gz VDEUOGHBBLRFQU-UHFFFAOYSA-N 0 0 315.333 0.948 50 0 DCAARN Cn1nc(NC(=O)c2cc3n(n2)CCCO3)cc1OC(F)F ZINC000578828984 417687242 /nfs/dbraw/zinc/68/72/42/417687242.db2.gz DDZXQWIGACPDIS-UHFFFAOYSA-N 0 0 313.264 1.253 50 0 DCAARN O=C1[C@@H](n2cnc3c(c2=O)COCC3)CCN1CC(F)(F)F ZINC000647166037 417994795 /nfs/dbraw/zinc/99/47/95/417994795.db2.gz VAXWCXRREKTMFM-JTQLQIEISA-N 0 0 317.267 0.652 50 0 DCAARN O=C(c1ccncc1Cl)N1CCN(Cc2nc[nH]n2)CC1 ZINC000652901649 417995527 /nfs/dbraw/zinc/99/55/27/417995527.db2.gz KFMFUGJUGJRCNS-UHFFFAOYSA-N 0 0 306.757 0.811 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)N1CCN(c2nc[nH]n2)CC1 ZINC000299772225 229422089 /nfs/dbraw/zinc/42/20/89/229422089.db2.gz SNAXQRLITSZMEZ-UHFFFAOYSA-N 0 0 317.397 0.436 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCN(C(=O)c2cccc3c2NCCC3)C1 ZINC000299800042 229460020 /nfs/dbraw/zinc/46/00/20/229460020.db2.gz ZDMPKLTZSHFDRA-LLVKDONJSA-N 0 0 323.418 0.795 50 0 DCAARN CN1CCN(C(=O)CCS(C)(=O)=O)[C@H](c2ccccc2)C1 ZINC000363093928 262098403 /nfs/dbraw/zinc/09/84/03/262098403.db2.gz NNBWSKOFYXTIFH-AWEZNQCLSA-N 0 0 310.419 0.936 50 0 DCAARN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@H]1CSCN1)CC2 ZINC000236850965 276475887 /nfs/dbraw/zinc/47/58/87/276475887.db2.gz BVOAQLUUGHRSJE-IJLUTSLNSA-N 0 0 300.424 0.427 50 0 DCAARN CC(=O)N1CCC2(CC1)CCN(c1ncccn1)C[C@H]2CO ZINC000097402557 276959645 /nfs/dbraw/zinc/95/96/45/276959645.db2.gz AMGDHAIDASIXSF-AWEZNQCLSA-N 0 0 304.394 0.924 50 0 DCAARN O=C(N1CCCC1)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1 ZINC000091305714 279805102 /nfs/dbraw/zinc/80/51/02/279805102.db2.gz CSARSXJXNUNNSU-HUUCEWRRSA-N 0 0 311.426 0.465 50 0 DCAARN O=C(Nc1ccc2c(c1)NC(=O)CO2)[C@@H]1CCS(=O)(=O)C1 ZINC000012886142 280027476 /nfs/dbraw/zinc/02/74/76/280027476.db2.gz BQGIVPSXHDDIDO-MRVPVSSYSA-N 0 0 310.331 0.391 50 0 DCAARN Cc1n[nH]c(C)c1[C@@H](N)C(=O)N1CCN(c2ncccn2)CC1 ZINC000091494133 281775590 /nfs/dbraw/zinc/77/55/90/281775590.db2.gz IGVNIZQTAXATAX-CYBMUJFWSA-N 0 0 315.381 0.165 50 0 DCAARN Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cn3ccsc3n1)C2 ZINC000072159163 282007385 /nfs/dbraw/zinc/00/73/85/282007385.db2.gz NDOXVRCRRGBABH-UHFFFAOYSA-N 0 0 315.358 0.986 50 0 DCAARN CN1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000072237998 290028210 /nfs/dbraw/zinc/02/82/10/290028210.db2.gz FBZJHPOYFFZLAQ-HOTGVXAUSA-N 0 0 317.389 0.359 50 0 DCAARN CN1CC[NH+](C[C@H](CC(=O)Nc2ccc(O)cc2)C(=O)[O-])CC1 ZINC000072405994 290045972 /nfs/dbraw/zinc/04/59/72/290045972.db2.gz RGPIUKVLQCAGKR-LBPRGKRZSA-N 0 0 321.377 0.669 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)N(C)[C@H](CO)C(C)(C)C)[C@H](C)CO1 ZINC000246090568 297043707 /nfs/dbraw/zinc/04/37/07/297043707.db2.gz JUUIDQXZIVHUNP-IJLUTSLNSA-N 0 0 308.444 0.679 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)NCN(Cc1ccc(F)cc1)C2 ZINC000054104316 294137174 /nfs/dbraw/zinc/13/71/74/294137174.db2.gz PVMKFXMDGGVESK-UHFFFAOYSA-N 0 0 304.325 0.608 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)NC(=O)N[C@H]2c1ccc(Cl)cc1 ZINC000020723470 294137567 /nfs/dbraw/zinc/13/75/67/294137567.db2.gz SVCPZHZCMKNVIF-JTQLQIEISA-N 0 0 320.736 0.962 50 0 DCAARN Cc1cnc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 ZINC000071826895 302334509 /nfs/dbraw/zinc/33/45/09/302334509.db2.gz FPJCOIWPXPXUIL-GFCCVEGCSA-N 0 0 316.336 0.998 50 0 DCAARN CC(C)c1nnc(NC(=O)Cn2ccc(=O)n(C)c2=O)s1 ZINC000030601148 331621225 /nfs/dbraw/zinc/62/12/25/331621225.db2.gz SKWDMEWWOJEBNE-UHFFFAOYSA-N 0 0 309.351 0.161 50 0 DCAARN NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccnc1 ZINC000051137726 331755550 /nfs/dbraw/zinc/75/55/50/331755550.db2.gz GXIQIXWNQZARAC-CYBMUJFWSA-N 0 0 305.359 0.457 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)NCc2ccccc2-n2ccnc2)C1 ZINC000056895499 331786297 /nfs/dbraw/zinc/78/62/97/331786297.db2.gz UQEDWCBPOCCNGW-CYBMUJFWSA-N 0 0 313.361 0.889 50 0 DCAARN O=C([O-])[C@H]1CN(C(=O)CCc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000071757264 331922429 /nfs/dbraw/zinc/92/24/29/331922429.db2.gz XEGXXMWBLOWYCM-LLVKDONJSA-N 0 0 306.318 0.233 50 0 DCAARN O=C(Cn1nccn1)NC[C@@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000534647198 334315871 /nfs/dbraw/zinc/31/58/71/334315871.db2.gz CASLEVZCMJTVQE-MHCOZEDOSA-N 0 0 304.394 0.972 50 0 DCAARN COC(=O)c1cc(O)cc(C(=O)N[C@@H](C)CN2CCOCC2)c1 ZINC000534648719 334316649 /nfs/dbraw/zinc/31/66/49/334316649.db2.gz ZAFJNISOEHFKKB-NSHDSACASA-N 0 0 322.361 0.629 50 0 DCAARN Cc1cc(NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2)n(C)n1 ZINC000190759449 336818129 /nfs/dbraw/zinc/81/81/29/336818129.db2.gz CDNJIAQPUIPRNO-LBPRGKRZSA-N 0 0 316.365 0.555 50 0 DCAARN NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCc3ccccc3CC2)O1 ZINC000154293859 534435744 /nfs/dbraw/zinc/43/57/44/534435744.db2.gz IFMJRJRQBGDVOH-GJZGRUSLSA-N 0 0 317.389 0.830 50 0 DCAARN CCN(CCc1nccs1)CC(=O)N1CCN(C(C)=O)CC1 ZINC000159272727 521180930 /nfs/dbraw/zinc/18/09/30/521180930.db2.gz DUDCVLITYZZHIZ-UHFFFAOYSA-N 0 0 324.450 0.698 50 0 DCAARN CN1CC[C@@H](NC(=O)N2CCN(c3ccccn3)CC2)C1=O ZINC000130027988 523965791 /nfs/dbraw/zinc/96/57/91/523965791.db2.gz SADRBYKPFUTPNT-GFCCVEGCSA-N 0 0 303.366 0.144 50 0 DCAARN Cc1cccn2cc(CNC(=O)[C@H](C)NS(C)(=O)=O)nc12 ZINC000126705863 525471326 /nfs/dbraw/zinc/47/13/26/525471326.db2.gz GZPHDIAECFKMQP-JTQLQIEISA-N 0 0 310.379 0.197 50 0 DCAARN Cc1ccc(S(=O)(=O)NCC2(CO)COC2)cc1Cl ZINC000129061565 525566460 /nfs/dbraw/zinc/56/64/60/525566460.db2.gz RQBZGROAEKYREF-UHFFFAOYSA-N 0 0 305.783 0.936 50 0 DCAARN Cn1cc(N2CCN(Cc3c(Cl)cnn3C)CC2=O)cn1 ZINC000187333034 527250975 /nfs/dbraw/zinc/25/09/75/527250975.db2.gz NTPUDWHKDSGCFX-UHFFFAOYSA-N 0 0 308.773 0.656 50 0 DCAARN Cn1cccc1[C@@H]1CCCN1C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000245785493 527403513 /nfs/dbraw/zinc/40/35/13/527403513.db2.gz SXGXWYLDUNNEPT-XBFCOCLRSA-N 0 0 320.393 0.905 50 0 DCAARN CC(C)C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCc2cncn2C1 ZINC000408523085 528579891 /nfs/dbraw/zinc/57/98/91/528579891.db2.gz ORUGOLSWZHUIDQ-JSGCOSHPSA-N 0 0 304.394 0.819 50 0 DCAARN CC(C)NC(=O)NC(=O)[C@H](C)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000240444242 529136165 /nfs/dbraw/zinc/13/61/65/529136165.db2.gz FWVLEPXUGZGQRQ-CMPLNLGQSA-N 0 0 311.382 0.289 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000057286393 536325634 /nfs/dbraw/zinc/32/56/34/536325634.db2.gz GGYCZUDRINBXJD-NSHDSACASA-N 0 0 308.357 0.792 50 0 DCAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000074665563 545671532 /nfs/dbraw/zinc/67/15/32/545671532.db2.gz HZJXDCNRJGEXDC-CYBMUJFWSA-N 0 0 317.389 0.870 50 0 DCAARN Cn1nc(CO)c2c1CCN(C(=O)c1n[nH]c3c1CCCC3)C2 ZINC000075874395 545676822 /nfs/dbraw/zinc/67/68/22/545676822.db2.gz AXZPQTHVMSTPJE-UHFFFAOYSA-N 0 0 315.377 0.713 50 0 DCAARN Cc1cc(NC(=O)c2ccnn2C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000084102058 545700766 /nfs/dbraw/zinc/70/07/66/545700766.db2.gz YVEKSBXIZQPYPV-JTQLQIEISA-N 0 0 323.378 0.537 50 0 DCAARN CCO[C@@H]1COCC[C@H]1NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000222631903 545942004 /nfs/dbraw/zinc/94/20/04/545942004.db2.gz QZSLDXIMYMUIDT-CHWSQXEVSA-N 0 0 317.345 0.847 50 0 DCAARN O=C(CN1CCN2C(=O)OC[C@H]2C1)N1CCOc2ccccc21 ZINC000670435789 547088406 /nfs/dbraw/zinc/08/84/06/547088406.db2.gz XKRSQVVXYIFSAE-GFCCVEGCSA-N 0 0 317.345 0.548 50 0 DCAARN Cc1ncsc1CCc1nc(CC(N)=O)nn1CC(C)(C)O ZINC000670435450 547088660 /nfs/dbraw/zinc/08/86/60/547088660.db2.gz VBEJVQZAXSRQSO-UHFFFAOYSA-N 0 0 323.422 0.627 50 0 DCAARN C[C@H](CS(C)(=O)=O)N1CCCN(C(=O)C2CCC2)CC1 ZINC000670447672 547094362 /nfs/dbraw/zinc/09/43/62/547094362.db2.gz DCKVRLZKCOSUQW-GFCCVEGCSA-N 0 0 302.440 0.754 50 0 DCAARN CCCN1C[C@H](NS(=O)(=O)c2cn(C)c(C)n2)CC1=O ZINC000670447694 547095153 /nfs/dbraw/zinc/09/51/53/547095153.db2.gz WYQUCNKXKPHRMR-SNVBAGLBSA-N 0 0 300.384 0.018 50 0 DCAARN COc1cccc2c1OC[C@H](NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C2 ZINC000670450465 547096183 /nfs/dbraw/zinc/09/61/83/547096183.db2.gz NECAVSXSGMLVHJ-SECBINFHSA-N 0 0 317.301 0.630 50 0 DCAARN Cc1cc(CN(C)c2cncc(C(=O)N3CCOCC3)n2)no1 ZINC000670455240 547097981 /nfs/dbraw/zinc/09/79/81/547097981.db2.gz ATSFETGEHDJXAM-UHFFFAOYSA-N 0 0 317.349 0.882 50 0 DCAARN CCNC(=O)N1CCC(NC(=O)[C@@H](C)NC(=O)OC)CC1 ZINC000670455651 547098145 /nfs/dbraw/zinc/09/81/45/547098145.db2.gz BHSFDUZEAVQTMD-SECBINFHSA-N 0 0 300.359 0.041 50 0 DCAARN O=C(CCCn1cnnn1)N1CCC[C@@H](c2ccncn2)C1 ZINC000670466129 547098400 /nfs/dbraw/zinc/09/84/00/547098400.db2.gz DWNSYCXUKXYLKB-GFCCVEGCSA-N 0 0 301.354 0.650 50 0 DCAARN N=C1NC(=O)C2(CCN(C(=O)COCc3ccccc3)CC2)N1 ZINC000670465083 547099138 /nfs/dbraw/zinc/09/91/38/547099138.db2.gz DOKJUHNCRSEEAD-UHFFFAOYSA-N 0 0 316.361 0.219 50 0 DCAARN Nc1cc(C(=O)NCc2nncn2CCc2ccccc2)[nH]n1 ZINC000670461031 547099144 /nfs/dbraw/zinc/09/91/44/547099144.db2.gz IMLBEENZVISUPJ-UHFFFAOYSA-N 0 0 311.349 0.756 50 0 DCAARN COc1ccc(CCc2nc(CC(N)=O)nn2CCO)cc1 ZINC000670466609 547100257 /nfs/dbraw/zinc/10/02/57/547100257.db2.gz RJNPGCWHBFWZTK-UHFFFAOYSA-N 0 0 304.350 0.092 50 0 DCAARN Cn1cnnc1SCCNC(=O)C1(Cn2ccnc2)CC1 ZINC000670470299 547100350 /nfs/dbraw/zinc/10/03/50/547100350.db2.gz LHNAAPRQYFHAFM-UHFFFAOYSA-N 0 0 306.395 0.700 50 0 DCAARN Cc1ncn(CCNC(=O)[C@@H]2CSC(C)(C)C(=O)N2)c1C ZINC000670473104 547101308 /nfs/dbraw/zinc/10/13/08/547101308.db2.gz RPULPFCZNBKSSX-NSHDSACASA-N 0 0 310.423 0.626 50 0 DCAARN CCO[C@@H]1COC[C@H]1n1cc(C(=O)NCc2cccn2C)nn1 ZINC000685940101 548745884 /nfs/dbraw/zinc/74/58/84/548745884.db2.gz QHHGFTGBZWSIFO-ZIAGYGMSSA-N 0 0 319.365 0.523 50 0 DCAARN Cc1cc(CNC(=O)c2coc(CN3CC[C@H](O)C3)n2)ccn1 ZINC000685941320 548746715 /nfs/dbraw/zinc/74/67/15/548746715.db2.gz AFBMZPPPMXQJPS-ZDUSSCGKSA-N 0 0 316.361 0.875 50 0 DCAARN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)C(C)=C3CCCC3)C2)C1 ZINC000685941284 548746860 /nfs/dbraw/zinc/74/68/60/548746860.db2.gz BYEJFIDXCNEWPK-CYBMUJFWSA-N 0 0 319.405 0.682 50 0 DCAARN COCCC(C)(C)C(=O)NC[C@H]1C[C@H](c2nncn2C)C[C@H]1O ZINC000685943136 548747653 /nfs/dbraw/zinc/74/76/53/548747653.db2.gz RWJDKMVHMQTMLE-YNEHKIRRSA-N 0 0 324.425 0.849 50 0 DCAARN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)/C=C(\C)C3CC3)C2)C1 ZINC000685943352 548748168 /nfs/dbraw/zinc/74/81/68/548748168.db2.gz ZVTMJQQDUANGGO-DJTWPOEFSA-N 0 0 305.378 0.148 50 0 DCAARN O=C(CN1CCNCC1=O)NCc1c(F)c(F)cc(F)c1F ZINC000170049048 563903366 /nfs/dbraw/zinc/90/33/66/563903366.db2.gz DFBAPYCKSQCSES-UHFFFAOYSA-N 0 0 319.258 0.291 50 0 DCAARN COCCCNC(=O)[C@@H](C)N1CCN(Cc2cnccn2)CC1 ZINC000888095410 661166645 /nfs/dbraw/zinc/16/66/45/661166645.db2.gz BPLWJIPFTSAJMF-CQSZACIVSA-N 0 0 321.425 0.135 50 0 DCAARN Cc1ccc(NC(=O)CO[C@H](C)CNS(C)(=O)=O)cc1 ZINC000888096406 661173636 /nfs/dbraw/zinc/17/36/36/661173636.db2.gz FUCCRBLEJSPDHA-LLVKDONJSA-N 0 0 300.380 0.888 50 0 DCAARN NC(=O)c1ccc(S(=O)(=O)c2ccc(C(N)=O)s2)s1 ZINC000002904780 658595508 /nfs/dbraw/zinc/59/55/08/658595508.db2.gz LAPJHYGHTIUKKU-UHFFFAOYSA-N 0 0 316.385 0.840 50 0 DCAARN Cn1nccc1S(=O)(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000874434770 665175250 /nfs/dbraw/zinc/17/52/50/665175250.db2.gz DJTCPODWIXFNHC-LLVKDONJSA-N 0 0 300.428 0.771 50 0 DCAARN CNC(=O)[C@H]1CN(C(=O)COc2ccc3c(c2)CCC3)CCO1 ZINC000183536913 666062291 /nfs/dbraw/zinc/06/22/91/666062291.db2.gz MOLCPIONLZKSBS-OAHLLOKOSA-N 0 0 318.373 0.528 50 0 DCAARN CCOc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2O)cc1F ZINC000864087272 667213512 /nfs/dbraw/zinc/21/35/12/667213512.db2.gz QUERATBKVVJBIE-VXGBXAGGSA-N 0 0 303.355 0.472 50 0 DCAARN O=S(=O)(NCc1ccc(F)c(Cl)c1)[C@@H]1COC[C@H]1O ZINC000864094162 667214527 /nfs/dbraw/zinc/21/45/27/667214527.db2.gz IHQVBIFHMXZLLV-GHMZBOCLSA-N 0 0 309.746 0.658 50 0 DCAARN Cc1ccc(-n2cc(C(=O)N3CCS(=O)(=O)CC3)nn2)cc1 ZINC000103279126 667949488 /nfs/dbraw/zinc/94/94/88/667949488.db2.gz HIYVUTINDCHUCH-UHFFFAOYSA-N 0 0 320.374 0.446 50 0 DCAARN CC(=CC(=O)NCCN1C(=O)CNC1=O)c1ccc(F)cc1 ZINC000078693700 670112679 /nfs/dbraw/zinc/11/26/79/670112679.db2.gz IBJSGTAJBUNZFX-NTMALXAHSA-N 0 0 305.309 0.897 50 0 DCAARN CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000818027185 670962598 /nfs/dbraw/zinc/96/25/98/670962598.db2.gz UGYPNJCSYPVOKF-MDZLAQPJSA-N 0 0 324.381 0.588 50 0 DCAARN C[C@]1(NC(=O)CCN2CCCCCC2=O)CCS(=O)(=O)C1 ZINC000952975229 685600021 /nfs/dbraw/zinc/60/00/21/685600021.db2.gz SKFDMBXKOIJGOK-AWEZNQCLSA-N 0 0 316.423 0.473 50 0 DCAARN O=C(CCS(=O)(=O)c1ccccc1)N1C[C@@H](O)[C@H](F)C1 ZINC000952984204 685601974 /nfs/dbraw/zinc/60/19/74/685601974.db2.gz YUGOECDLHNZWJZ-VXGBXAGGSA-N 0 0 301.339 0.392 50 0 DCAARN CCC[C@H](C)NS(=O)(=O)c1c(C2OCCO2)cnn1C ZINC000952992807 685603715 /nfs/dbraw/zinc/60/37/15/685603715.db2.gz CFCLTHVAQGIPTK-VIFPVBQESA-N 0 0 303.384 0.932 50 0 DCAARN Cc1cccc(C(=O)N2CCN3C(=O)[C@@H](C)NC(=O)[C@H]3C2)c1 ZINC000014743009 685048503 /nfs/dbraw/zinc/04/85/03/685048503.db2.gz WMCKRJZVCVBEFP-DGCLKSJQSA-N 0 0 301.346 0.166 50 0 DCAARN O[C@H]1CN(Cc2ccc3nsnc3c2)C[C@@H]1N1CCOCC1 ZINC000020449633 685052171 /nfs/dbraw/zinc/05/21/71/685052171.db2.gz QDFLJWLEPDBUBC-GJZGRUSLSA-N 0 0 320.418 0.569 50 0 DCAARN CC(=O)N[C@@H](C1=CCCN(CCNC(N)=O)C1)C(F)(F)F ZINC000065381070 685062820 /nfs/dbraw/zinc/06/28/20/685062820.db2.gz UDPBQANENPVKHG-JTQLQIEISA-N 0 0 308.304 0.354 50 0 DCAARN CC(C)CN1C[C@H](C(=O)N2CCC[C@H](C(=O)N(C)C)C2)CC1=O ZINC000069022728 685071530 /nfs/dbraw/zinc/07/15/30/685071530.db2.gz VCBSUQYHSOOADX-UONOGXRCSA-N 0 0 323.437 0.818 50 0 DCAARN O=C(NCc1nnc2n1CCCCC2)[C@@H]1NCCc2nc[nH]c21 ZINC000072433365 685075733 /nfs/dbraw/zinc/07/57/33/685075733.db2.gz ZYXZPGMNALDJIF-CQSZACIVSA-N 0 0 315.381 0.231 50 0 DCAARN O=C(Cc1cn2ccsc2n1)N1CCC([C@@H](O)CO)CC1 ZINC001772712522 1157849589 /nfs/dbraw/zinc/84/95/89/1157849589.db2.gz QXSMVRXGRMYIOG-LBPRGKRZSA-N 0 0 309.391 0.530 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)NCCc2c[nH]cn2)cc1 ZINC000087545285 1174215990 /nfs/dbraw/zinc/21/59/90/1174215990.db2.gz ZSBZFBANXDBIFW-UHFFFAOYSA-N 0 0 308.363 0.290 50 0 DCAARN Cc1cnc(N[C@H]2COC[C@@H]2N2CCN(C)CC2)nc1N(C)C ZINC001704297589 1179964460 /nfs/dbraw/zinc/96/44/60/1179964460.db2.gz UEYODWCZBQUTEI-KBPBESRZSA-N 0 0 320.441 0.278 50 0 DCAARN Cc1cncc(C(=O)N2CCC3(CC2)C[C@](C)(O)[C@@H](O)CO3)c1 ZINC001704300825 1179965827 /nfs/dbraw/zinc/96/58/27/1179965827.db2.gz XEDXIEUSDLYKJG-HOCLYGCPSA-N 0 0 320.389 0.897 50 0 DCAARN COc1cc(F)c(CN2C[C@@H]3COC[C@H](C2)NC3=O)c(F)c1 ZINC001704324709 1179973853 /nfs/dbraw/zinc/97/38/53/1179973853.db2.gz DGYURQFXELZSJA-ZJUUUORDSA-N 0 0 312.316 0.920 50 0 DCAARN CN1C[C@H]2COC[C@@H]1CN(S(=O)(=O)c1ccccc1F)C2 ZINC001704329031 1179973894 /nfs/dbraw/zinc/97/38/94/1179973894.db2.gz RNFSTHUSPKBTKU-NEPJUHHUSA-N 0 0 314.382 0.777 50 0 DCAARN CCCn1ncc(CN2C[C@@H]3COC[C@H](C2)N(C)C3=O)c1C ZINC001704331099 1179975616 /nfs/dbraw/zinc/97/56/16/1179975616.db2.gz NWIZDNAHBLGYNG-CABCVRRESA-N 0 0 306.410 0.891 50 0 DCAARN CC1=CC2(CCN(C(=O)CN3CC(=O)NC3=O)CC2)OCC1 ZINC001704337977 1179977259 /nfs/dbraw/zinc/97/72/59/1179977259.db2.gz IWXPGTZAICCHLF-UHFFFAOYSA-N 0 0 307.350 0.266 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3ccc(N)nc3)C[C@H]2O)on1 ZINC001704339102 1179977286 /nfs/dbraw/zinc/97/72/86/1179977286.db2.gz NZUPEWWQDSUIFP-DGCLKSJQSA-N 0 0 302.334 0.636 50 0 DCAARN CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C[C@@H]21 ZINC001704338407 1179977368 /nfs/dbraw/zinc/97/73/68/1179977368.db2.gz UEEQGSJIZUKCQO-HFBDOXOYSA-N 0 0 307.350 0.901 50 0 DCAARN CC(=O)N1CCO[C@H](CNc2nc(C)c(C)cc2C(N)=O)C1 ZINC001704336297 1179977480 /nfs/dbraw/zinc/97/74/80/1179977480.db2.gz FQCKWLSBGPFGBA-GFCCVEGCSA-N 0 0 306.366 0.457 50 0 DCAARN O=C(CCn1cnnc1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 ZINC001704346859 1179980095 /nfs/dbraw/zinc/98/00/95/1179980095.db2.gz ALTAINWIEYAHNT-KGLIPLIRSA-N 0 0 301.350 0.125 50 0 DCAARN Cc1ccc(C(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)cn1 ZINC001704344427 1179980522 /nfs/dbraw/zinc/98/05/22/1179980522.db2.gz PYQCGCRGMJWGJV-JKSUJKDBSA-N 0 0 320.389 0.897 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)[C@H]3CC[C@@H](O)CC3)C[C@H]2O)[nH]n1 ZINC001704345496 1179980803 /nfs/dbraw/zinc/98/08/03/1179980803.db2.gz ZTFVBYPRWKQMLA-RJZRQDKASA-N 0 0 307.394 0.631 50 0 DCAARN Cc1c(F)cccc1NC(=O)CN1CCNC(=O)[C@H]1CCO ZINC001704349438 1179981381 /nfs/dbraw/zinc/98/13/81/1179981381.db2.gz HHFXFLMFBMJZPM-CYBMUJFWSA-N 0 0 309.341 0.255 50 0 DCAARN Cc1cc(C[C@@H]2CN(c3nc(C(N)=O)cs3)C[C@@H]2O)on1 ZINC001704357113 1179984296 /nfs/dbraw/zinc/98/42/96/1179984296.db2.gz CAIDUJZFSDJYTD-KCJUWKMLSA-N 0 0 308.363 0.578 50 0 DCAARN Cn1cnnc1-c1nn(C)c2c1CN(C(=O)[C@@H]1CCOC1)CC2 ZINC000581791214 747689196 /nfs/dbraw/zinc/68/91/96/747689196.db2.gz WNUKFTAIAHSACF-SNVBAGLBSA-N 0 0 316.365 0.137 50 0 DCAARN CS(=O)(=O)N(CCNC(=O)C1CCCC1)C1CCOCC1 ZINC000675020465 748027354 /nfs/dbraw/zinc/02/73/54/748027354.db2.gz QTCMZLDXMFDPKF-UHFFFAOYSA-N 0 0 318.439 0.733 50 0 DCAARN CCn1cc(S(=O)(=O)N[C@@H](C)c2nnc(N)s2)c(C)n1 ZINC000823592569 758253114 /nfs/dbraw/zinc/25/31/14/758253114.db2.gz PTHGFFBITAYWAS-ZETCQYMHSA-N 0 0 316.412 0.685 50 0 DCAARN CN(CC(=O)[O-])c1ncc(CN2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000823689902 758260487 /nfs/dbraw/zinc/26/04/87/758260487.db2.gz CVZRVVNSPFLAOE-LBPRGKRZSA-N 0 0 307.398 0.381 50 0 DCAARN COc1cccc(OC[C@H](O)CNC(=O)c2cncnc2N)c1 ZINC000824785255 758784775 /nfs/dbraw/zinc/78/47/75/758784775.db2.gz RSCJSCBFANPJLO-SNVBAGLBSA-N 0 0 318.333 0.237 50 0 DCAARN CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCCCO ZINC000585122169 766287388 /nfs/dbraw/zinc/28/73/88/766287388.db2.gz PHGIHSUDBSFXBG-GFCCVEGCSA-N 0 0 315.414 0.426 50 0 DCAARN CO[C@@H](C)CS(=O)(=O)N1CCn2ncc(Br)c21 ZINC000585122511 766287657 /nfs/dbraw/zinc/28/76/57/766287657.db2.gz SCNPIUDYXQGLFH-ZETCQYMHSA-N 0 0 324.200 0.830 50 0 DCAARN COCCC1(CNC(=O)Nc2cc(C(=O)OC)n(C)n2)CC1 ZINC000585135353 766292850 /nfs/dbraw/zinc/29/28/50/766292850.db2.gz DAPXFGLHXWUWSV-UHFFFAOYSA-N 0 0 310.354 1.145 50 0 DCAARN Cc1onc(N)c1S(=O)(=O)N1CCC[C@H]1c1nccn1C ZINC000952878631 768942217 /nfs/dbraw/zinc/94/22/17/768942217.db2.gz CNKZDQOZGBMUQH-VIFPVBQESA-N 0 0 311.367 0.825 50 0 DCAARN COCc1cc(=O)[nH]c(N2CC[C@H](NC(=O)OCCF)C2)n1 ZINC000952880574 768947155 /nfs/dbraw/zinc/94/71/55/768947155.db2.gz OSOTYGVWUNIWBK-VIFPVBQESA-N 0 0 314.317 0.603 50 0 DCAARN Cc1csc2ncnc(N3CC(O)(c4cnnn4C)C3)c12 ZINC000952882651 768950323 /nfs/dbraw/zinc/95/03/23/768950323.db2.gz HHFDSYLXJNEZOY-UHFFFAOYSA-N 0 0 302.363 0.836 50 0 DCAARN Cc1nc(C)n(CCCNS(=O)(=O)N2CCCCC2)n1 ZINC001506408509 941807173 /nfs/dbraw/zinc/80/71/73/941807173.db2.gz SVWOOIRYGXBKNR-UHFFFAOYSA-N 0 0 301.416 0.605 50 0 DCAARN Cc1noc(C)c1C(=O)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001529094009 1014494529 /nfs/dbraw/zinc/49/45/29/1014494529.db2.gz GBDGIVASQZYOIL-DGCLKSJQSA-N 0 0 302.334 0.757 50 0 DCAARN O=C(CCn1cnnc1)N1CCCN(Cc2ccoc2)CC1 ZINC001529142174 1014504873 /nfs/dbraw/zinc/50/48/73/1014504873.db2.gz GWOBPVXBAYKPIX-UHFFFAOYSA-N 0 0 303.366 0.996 50 0 DCAARN COCCn1cnnc1CCNc1ncc(C)c(N(C)C)n1 ZINC001529174447 1014512970 /nfs/dbraw/zinc/51/29/70/1014512970.db2.gz SOLUESPTPGRBOV-UHFFFAOYSA-N 0 0 305.386 0.744 50 0 DCAARN O=C([C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl)N1CCOCC1 ZINC001529191907 1014517863 /nfs/dbraw/zinc/51/78/63/1014517863.db2.gz IVWHBABREQICIB-KGLIPLIRSA-N 0 0 324.764 0.755 50 0 DCAARN O=C(CCCn1cncn1)N[C@@H]1COC[C@H]1Cc1ccncc1 ZINC001529195722 1014519851 /nfs/dbraw/zinc/51/98/51/1014519851.db2.gz OFVBFOMEZGZFGO-HUUCEWRRSA-N 0 0 315.377 0.827 50 0 DCAARN CCn1cncc1CNS(=O)(=O)N1CCC[C@H](COC)C1 ZINC001506403081 1017255537 /nfs/dbraw/zinc/25/55/37/1017255537.db2.gz VIZQOPGLNFKAFA-LBPRGKRZSA-N 0 0 316.427 0.596 50 0 DCAARN COC[C@H](c1ccccn1)N(C)C(=O)c1nc2ncccn2n1 ZINC001506408773 1017259142 /nfs/dbraw/zinc/25/91/42/1017259142.db2.gz XAFBNBAIGDKCQH-GFCCVEGCSA-N 0 0 312.333 0.979 50 0 DCAARN O=C(CN1C[C@H](Cc2ccccc2)CC1=O)N1CCOCC1 ZINC000095530601 185378777 /nfs/dbraw/zinc/37/87/77/185378777.db2.gz WURMKVUVJSDAPC-OAHLLOKOSA-N 0 0 302.374 0.936 50 0 DCAARN CCC[C@H]1CN(CC(=O)NC2CC2)CCN1CC(=O)NC1CC1 ZINC000079058956 185151190 /nfs/dbraw/zinc/15/11/90/185151190.db2.gz UXTWKYYAZYMXID-HNNXBMFYSA-N 0 0 322.453 0.330 50 0 DCAARN COC(=O)[C@H](C)CNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000079112602 185159067 /nfs/dbraw/zinc/15/90/67/185159067.db2.gz YBJJTPXZTBXTDR-SECBINFHSA-N 0 0 317.363 0.791 50 0 DCAARN O=C1N=NC(CSc2nnnn2C[C@H]2CCCO2)S1 ZINC000328593178 231233735 /nfs/dbraw/zinc/23/37/35/231233735.db2.gz QLEQWVQTIXKUND-ZCFIWIBFSA-N 0 0 300.369 0.702 50 0 DCAARN CCC1(CC)NC(=O)N(CC(=O)O[C@@H]2C[C@H](C)OC2=O)C1=O ZINC000089948073 185270807 /nfs/dbraw/zinc/27/08/07/185270807.db2.gz RIMUZEBPNCMIFA-DTWKUNHWSA-N 0 0 312.322 0.344 50 0 DCAARN COC(=O)[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000090608637 185306483 /nfs/dbraw/zinc/30/64/83/185306483.db2.gz DWRPOCQSRLDXIZ-RNCFNFMXSA-N 0 0 322.386 0.825 50 0 DCAARN CN(C)c1ccc([C@H](O)CNC(=O)CN2C(=O)CCC2=O)cc1 ZINC000090611683 185306638 /nfs/dbraw/zinc/30/66/38/185306638.db2.gz ZIARHXSAJSDYJR-CYBMUJFWSA-N 0 0 319.361 0.051 50 0 DCAARN CN(C)c1ccc([C@@H](O)CNC(=O)CN2C(=O)CCC2=O)cc1 ZINC000090611684 185306739 /nfs/dbraw/zinc/30/67/39/185306739.db2.gz ZIARHXSAJSDYJR-ZDUSSCGKSA-N 0 0 319.361 0.051 50 0 DCAARN Cc1ccc(N2C[C@@H](C)N(C(=O)CNC(N)=O)CC2=O)cc1 ZINC000082109270 192357871 /nfs/dbraw/zinc/35/78/71/192357871.db2.gz OJNVJIQGCDKGST-LLVKDONJSA-N 0 0 304.350 0.227 50 0 DCAARN CCn1cnnc1CCNC(=O)c1cnc(C(C)(C)C)[nH]c1=O ZINC000082138478 192360578 /nfs/dbraw/zinc/36/05/78/192360578.db2.gz JKMDKAHBOUVVHE-UHFFFAOYSA-N 0 0 318.381 0.651 50 0 DCAARN O=C(NCCCn1ccnn1)c1cnc(-c2cccnc2)nc1 ZINC000095390526 185351421 /nfs/dbraw/zinc/35/14/21/185351421.db2.gz FCKYVZDRBXMBBL-UHFFFAOYSA-N 0 0 309.333 0.950 50 0 DCAARN Cc1nc(N(C)C)sc1CCNC(=O)c1nccnc1N ZINC000095394501 185352333 /nfs/dbraw/zinc/35/23/33/185352333.db2.gz LNGCJRGXEZKPAQ-UHFFFAOYSA-N 0 0 306.395 0.862 50 0 DCAARN Cc1ccc(O[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)nn1 ZINC000225465310 201714227 /nfs/dbraw/zinc/71/42/27/201714227.db2.gz UMEMUEZKOPDATC-CHWSQXEVSA-N 0 0 318.377 0.633 50 0 DCAARN C[C@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1cnn(C)c1 ZINC000095433095 185363808 /nfs/dbraw/zinc/36/38/08/185363808.db2.gz FBCHZEAAHZEUES-BXUZGUMPSA-N 0 0 309.391 0.863 50 0 DCAARN O=C(NC[C@H](O)CN1CCOCC1)[C@@H]1CCCc2sccc21 ZINC000095442302 185366734 /nfs/dbraw/zinc/36/67/34/185366734.db2.gz ZGCWALOTDZFAIU-GXTWGEPZSA-N 0 0 324.446 0.977 50 0 DCAARN O=C(Nc1cccnc1N1CCCC1)N1C[C@@H](O)C[C@@H]1CO ZINC000095445355 185367371 /nfs/dbraw/zinc/36/73/71/185367371.db2.gz GNQOIFNJFKRQKC-NEPJUHHUSA-N 0 0 306.366 0.641 50 0 DCAARN Cc1ccc(C)c(CS(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000095450349 185368713 /nfs/dbraw/zinc/36/87/13/185368713.db2.gz FTDQCUACUOIMHX-OLZOCXBDSA-N 0 0 318.416 0.376 50 0 DCAARN CCN(CC(=O)NCc1ccc(F)cc1)[C@H]1CCN(C)C1=O ZINC000097031837 185399106 /nfs/dbraw/zinc/39/91/06/185399106.db2.gz YWPQIWNYIUQJPJ-AWEZNQCLSA-N 0 0 307.369 0.995 50 0 DCAARN CN(C)C(=O)[C@@H]1CCCN1C(=O)COCC(F)(F)C(F)F ZINC000067447125 190708804 /nfs/dbraw/zinc/70/88/04/190708804.db2.gz OKMJBQMYUFKFOL-QMMMGPOBSA-N 0 0 314.279 0.983 50 0 DCAARN CC1N=NC(=S)N1CCNC(=O)[C@H]1Cc2ccccc2O1 ZINC000170641422 197797428 /nfs/dbraw/zinc/79/74/28/197797428.db2.gz DAIZSCFQHUGWNK-GFCCVEGCSA-N 0 0 304.375 0.995 50 0 DCAARN Cn1c(=O)oc2cc(NC(=O)C(=O)NCc3ccoc3)ccc21 ZINC000069841251 190826573 /nfs/dbraw/zinc/82/65/73/190826573.db2.gz PTBACLYADQHEHL-UHFFFAOYSA-N 0 0 315.285 0.979 50 0 DCAARN CN(CCO)c1ncnc2c1CCN(C(=O)c1cccnc1)C2 ZINC000071662168 191000341 /nfs/dbraw/zinc/00/03/41/191000341.db2.gz NZZOBRUFNYIPAO-UHFFFAOYSA-N 0 0 313.361 0.499 50 0 DCAARN CCS(=O)(=O)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 ZINC000071751363 191022237 /nfs/dbraw/zinc/02/22/37/191022237.db2.gz VTVFKDYIMRZKNJ-UHFFFAOYSA-N 0 0 320.374 0.540 50 0 DCAARN COc1c(F)cccc1C(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1 ZINC000071755354 191024572 /nfs/dbraw/zinc/02/45/72/191024572.db2.gz ZGNUCUIUMMMCQK-KBPBESRZSA-N 0 0 324.352 0.352 50 0 DCAARN CCCc1nc2c(cnn2C)c(N2CC[NH+](CC(=O)[O-])CC2)n1 ZINC000072145358 191051535 /nfs/dbraw/zinc/05/15/35/191051535.db2.gz IZSHUNKHNQVNDT-UHFFFAOYSA-N 0 0 318.381 0.522 50 0 DCAARN CN1C[C@]2(CCCN(C(=O)c3cnc4cccnn43)C2)OC1=O ZINC000072161826 191062520 /nfs/dbraw/zinc/06/25/20/191062520.db2.gz URBRHIQRLGAZQE-HNNXBMFYSA-N 0 0 315.333 0.786 50 0 DCAARN NC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 ZINC000072162050 191062606 /nfs/dbraw/zinc/06/26/06/191062606.db2.gz ORPZATXRSAXBDG-NSHDSACASA-N 0 0 315.295 0.881 50 0 DCAARN NC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 ZINC000072162051 191062631 /nfs/dbraw/zinc/06/26/31/191062631.db2.gz ORPZATXRSAXBDG-LLVKDONJSA-N 0 0 315.295 0.881 50 0 DCAARN O=C(CO)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000072167942 191066806 /nfs/dbraw/zinc/06/68/06/191066806.db2.gz WTHZQVUGZMVPQL-JTQLQIEISA-N 0 0 316.279 0.915 50 0 DCAARN CN1C[C@@]2(CCN(C(=O)c3c4c(nn3C)CCCC4)C2)OC1=O ZINC000072170398 191068207 /nfs/dbraw/zinc/06/82/07/191068207.db2.gz CJHSGBDUMWQANH-MRXNPFEDSA-N 0 0 318.377 0.966 50 0 DCAARN CC(=O)N1CCC(C(=O)N2CCC[C@H](n3cncn3)C2)CC1 ZINC000072272250 191094150 /nfs/dbraw/zinc/09/41/50/191094150.db2.gz SKNUNSXQWIYGGV-AWEZNQCLSA-N 0 0 305.382 0.700 50 0 DCAARN CN(CC(=O)NC(C)(C)C)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000072276013 191096248 /nfs/dbraw/zinc/09/62/48/191096248.db2.gz NCKGNHZVOTWDQV-GFCCVEGCSA-N 0 0 321.425 0.789 50 0 DCAARN CN(CC(=O)N1CCC[C@@H]1Cn1cccn1)c1cnccn1 ZINC000072280003 191101634 /nfs/dbraw/zinc/10/16/34/191101634.db2.gz CZBCRPLHMIRFBV-CYBMUJFWSA-N 0 0 300.366 0.801 50 0 DCAARN Cn1cc([C@@H]2CCN(C(=O)Nc3ccc(C(N)=O)nc3)C2)cn1 ZINC000164304007 186155318 /nfs/dbraw/zinc/15/53/18/186155318.db2.gz PGWMTEIWWJJTMS-SNVBAGLBSA-N 0 0 314.349 0.935 50 0 DCAARN Cc1nc(CCNC(=O)CCNS(C)(=O)=O)sc1C ZINC000177875201 186197796 /nfs/dbraw/zinc/19/77/96/186197796.db2.gz LZWFQADNTDKORP-UHFFFAOYSA-N 0 0 305.425 0.358 50 0 DCAARN C[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1N1CCOCC1 ZINC000072300437 191114619 /nfs/dbraw/zinc/11/46/19/191114619.db2.gz ZHDWCRNGKCMCQP-UKRRQHHQSA-N 0 0 306.410 0.532 50 0 DCAARN CCOC(=O)C1CCN(C(=O)c2cn(C)c(=O)cc2OC)CC1 ZINC000225651773 186287117 /nfs/dbraw/zinc/28/71/17/186287117.db2.gz ZRZWCOUGSCOSLC-UHFFFAOYSA-N 0 0 322.361 0.809 50 0 DCAARN Cn1ccnc1S(=O)(=O)C1CN(C(=O)[C@H]2CC=CCC2)C1 ZINC000225678094 186288693 /nfs/dbraw/zinc/28/86/93/186288693.db2.gz PCAYRTMYEWWJHJ-NSHDSACASA-N 0 0 309.391 0.761 50 0 DCAARN C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)c1nnc(N)s1 ZINC000225683788 186288863 /nfs/dbraw/zinc/28/88/63/186288863.db2.gz QYQJGJWRTWJDRF-LURJTMIESA-N 0 0 304.397 0.341 50 0 DCAARN CC[C@@H](C)[C@@H](CO)NC(=O)[C@H](c1ccccc1)n1cnnn1 ZINC000253401811 186306741 /nfs/dbraw/zinc/30/67/41/186306741.db2.gz FWCSRZFMNNWAEL-BNOWGMLFSA-N 0 0 303.366 0.786 50 0 DCAARN NC(=O)[C@@H]1CCCN(C(=O)CNc2cccc3c2OCCO3)C1 ZINC000072313914 191120576 /nfs/dbraw/zinc/12/05/76/191120576.db2.gz SCMHVSDSGWPZSL-LLVKDONJSA-N 0 0 319.361 0.594 50 0 DCAARN COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1ccncc1 ZINC000008581642 290926277 /nfs/dbraw/zinc/92/62/77/290926277.db2.gz DKEZNBUOSFVVEK-NSHDSACASA-N 0 0 313.313 0.946 50 0 DCAARN COC(=O)CC1CCN(C(=O)CNC(=O)c2cnccn2)CC1 ZINC000072404958 191151623 /nfs/dbraw/zinc/15/16/23/191151623.db2.gz WIDVGGZRPTXYPT-UHFFFAOYSA-N 0 0 320.349 0.008 50 0 DCAARN COc1ccc(OC)c(CC(=O)N2CCOC[C@@H]2CC(N)=O)c1 ZINC000072421299 191158492 /nfs/dbraw/zinc/15/84/92/191158492.db2.gz DTUXCOZSOZUFDJ-LBPRGKRZSA-N 0 0 322.361 0.349 50 0 DCAARN CN(C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCCC[C@H]1O ZINC000072437812 191165845 /nfs/dbraw/zinc/16/58/45/191165845.db2.gz LIHHDSJUWNYDCN-JHJVBQTASA-N 0 0 318.439 0.420 50 0 DCAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000001423892 180864330 /nfs/dbraw/zinc/86/43/30/180864330.db2.gz IBNPMJUQQQOAPD-UHFFFAOYSA-N 0 0 311.367 0.701 50 0 DCAARN CCOC(=O)C1CCN(S(=O)(=O)c2cn(C)nc2C)CC1 ZINC000001429165 180865804 /nfs/dbraw/zinc/86/58/04/180865804.db2.gz CAJGMEMFKPLHTD-UHFFFAOYSA-N 0 0 315.395 0.692 50 0 DCAARN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000002537681 180933267 /nfs/dbraw/zinc/93/32/67/180933267.db2.gz RHTYVJYAVHFCDW-JTQLQIEISA-N 0 0 301.368 0.384 50 0 DCAARN Nc1c(NC[C@H]2CCCO2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000003272855 180998754 /nfs/dbraw/zinc/99/87/54/180998754.db2.gz NWLKCGNIXRBJHY-GFCCVEGCSA-N 0 0 316.361 0.758 50 0 DCAARN Cc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)n1N ZINC000003486504 181025714 /nfs/dbraw/zinc/02/57/14/181025714.db2.gz MHJOSYZQWOAULN-UHFFFAOYSA-N 0 0 321.362 0.438 50 0 DCAARN COc1ccccc1CNC(=O)COC(=O)c1nccnc1N ZINC000003508541 181028205 /nfs/dbraw/zinc/02/82/05/181028205.db2.gz MOXZNBFAXPKBBS-UHFFFAOYSA-N 0 0 316.317 0.541 50 0 DCAARN O=c1cc(Cn2nnc3ccccc3c2=O)nc2sccn21 ZINC000003617787 181041249 /nfs/dbraw/zinc/04/12/49/181041249.db2.gz AQFJLPIPBKTCTG-UHFFFAOYSA-N 0 0 311.326 0.909 50 0 DCAARN O=C(CSc1[nH]c(=O)nc2c1CCC2)NC[C@H]1CCCO1 ZINC000004316895 181096755 /nfs/dbraw/zinc/09/67/55/181096755.db2.gz NQGZCCFZJFWNQB-SECBINFHSA-N 0 0 309.391 0.646 50 0 DCAARN CN1CCN(C(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)CC1 ZINC000004373770 181103021 /nfs/dbraw/zinc/10/30/21/181103021.db2.gz GYDIMRVZEILFNH-CYBMUJFWSA-N 0 0 320.368 0.888 50 0 DCAARN CCNC(=O)NC(=O)CSc1nnc(-c2ccco2)n1N ZINC000004538077 181120734 /nfs/dbraw/zinc/12/07/34/181120734.db2.gz PRIDWTYIXRUDAS-UHFFFAOYSA-N 0 0 310.339 0.190 50 0 DCAARN CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000004778308 181150850 /nfs/dbraw/zinc/15/08/50/181150850.db2.gz TWYKZNUNBGDQQB-SSDOTTSWSA-N 0 0 306.771 0.761 50 0 DCAARN CCOc1ccc(S(=O)(=O)NCCOC)cc1NC(C)=O ZINC000004813826 181155402 /nfs/dbraw/zinc/15/54/02/181155402.db2.gz JDKMLKGCJHLILB-UHFFFAOYSA-N 0 0 316.379 0.968 50 0 DCAARN O=C1C2=C(CN1CCO)NC(=O)N[C@H]2c1ccc(Cl)cc1 ZINC000004854649 181163959 /nfs/dbraw/zinc/16/39/59/181163959.db2.gz GVKHMGUBSQBHKD-LBPRGKRZSA-N 0 0 307.737 0.783 50 0 DCAARN Cc1cccc(N([C@@H]2CCS(=O)(=O)C2)S(C)(=O)=O)c1 ZINC000004852315 181163404 /nfs/dbraw/zinc/16/34/04/181163404.db2.gz JWLZXMFQMKJPDF-GFCCVEGCSA-N 0 0 303.405 0.948 50 0 DCAARN CO[C@@H](C)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000075127517 191425311 /nfs/dbraw/zinc/42/53/11/191425311.db2.gz ACZKOELAEQMFCX-STQMWFEESA-N 0 0 311.426 0.613 50 0 DCAARN CCN1CCN(CC(=O)O[C@H]2CCC[C@@H](OC)C2)C(=O)C1=O ZINC000078442309 191863748 /nfs/dbraw/zinc/86/37/48/191863748.db2.gz FUSAQYBSUVPNIX-NEPJUHHUSA-N 0 0 312.366 0.178 50 0 DCAARN O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCOCC1 ZINC000005194463 181215848 /nfs/dbraw/zinc/21/58/48/181215848.db2.gz ANYUNHQFDWFKCV-GFCCVEGCSA-N 0 0 307.325 0.973 50 0 DCAARN Cc1ccc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)c(O)c1 ZINC000005227027 181219001 /nfs/dbraw/zinc/21/90/01/181219001.db2.gz ZRBPCFBANWEXCU-UHFFFAOYSA-N 0 0 320.345 0.581 50 0 DCAARN CCCCn1c(C)nc2c1c(=O)n(CCC(C)=O)c(=O)n2C ZINC000005397928 181239196 /nfs/dbraw/zinc/23/91/96/181239196.db2.gz UNUXBLVHNDERGT-UHFFFAOYSA-N 0 0 306.366 0.984 50 0 DCAARN CCOC(=O)C1=C(COC(=O)c2cc(C)no2)NC(=O)N[C@@H]1C ZINC000005565937 181257873 /nfs/dbraw/zinc/25/78/73/181257873.db2.gz GAMZYHSXIOOLAW-MRVPVSSYSA-N 0 0 323.305 0.658 50 0 DCAARN Cc1ccc([C@](C)(O)CNC(=O)c2nc3nccc(C)n3n2)o1 ZINC000080901467 192199439 /nfs/dbraw/zinc/19/94/39/192199439.db2.gz TZHPBLIUTAFIMS-OAHLLOKOSA-N 0 0 315.333 0.972 50 0 DCAARN CN(C[C@@H]1COCCO1)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000085472998 192512735 /nfs/dbraw/zinc/51/27/35/192512735.db2.gz JNMPITCBYZYDMN-LLVKDONJSA-N 0 0 318.329 0.156 50 0 DCAARN CCCN1CNC(=S)N(N2CN(CCC)CNC2=S)C1 ZINC000019899449 283353297 /nfs/dbraw/zinc/35/32/97/283353297.db2.gz SQGQLVYFPILBTQ-UHFFFAOYSA-N 0 0 316.500 0.536 50 0 DCAARN C[C@@H]1CN(C(=O)CNC(=O)COc2ccccc2)C[C@@H](C)O1 ZINC000005937267 181298668 /nfs/dbraw/zinc/29/86/68/181298668.db2.gz NNCQESXTVYIYMK-CHWSQXEVSA-N 0 0 306.362 0.817 50 0 DCAARN Cc1nn(C)c(C)c1OC(=O)CCn1nc2ccccn2c1=O ZINC000096424027 236882623 /nfs/dbraw/zinc/88/26/23/236882623.db2.gz XJJQZGOKHNZYAN-UHFFFAOYSA-N 0 0 315.333 0.842 50 0 DCAARN CS(=O)(=O)Cc1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000089484383 192800575 /nfs/dbraw/zinc/80/05/75/192800575.db2.gz ODSZCZBWNKLDRH-UHFFFAOYSA-N 0 0 303.405 0.920 50 0 DCAARN C[C@@H]1Cc2cc(C(=O)NCCS(=O)(=O)N(C)C)ccc2O1 ZINC000426648151 240352085 /nfs/dbraw/zinc/35/20/85/240352085.db2.gz PUUOTBLCOFTKMI-SNVBAGLBSA-N 0 0 312.391 0.631 50 0 DCAARN O=C(CN1C(=O)N[C@]2(CCOC2)C1=O)Nc1ccc(Cl)cc1 ZINC000089788289 192869967 /nfs/dbraw/zinc/86/99/67/192869967.db2.gz UVLYHJWUTQLPJN-AWEZNQCLSA-N 0 0 323.736 0.989 50 0 DCAARN CC[C@@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2cccnc2)C1=O ZINC000281119060 216091103 /nfs/dbraw/zinc/09/11/03/216091103.db2.gz HZSAXKPRVVUCQQ-LKFCYVNXSA-N 0 0 306.322 0.601 50 0 DCAARN O=C(NCc1cccnc1OCC(F)(F)F)[C@H]1COCCN1 ZINC000237906092 202386752 /nfs/dbraw/zinc/38/67/52/202386752.db2.gz RASJRDQRDYNSKE-SNVBAGLBSA-N 0 0 319.283 0.627 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000042502318 296008035 /nfs/dbraw/zinc/00/80/35/296008035.db2.gz PNGGJRLKWUQPMF-RYUDHWBXSA-N 0 0 314.411 0.202 50 0 DCAARN O=C(CN1CCOC1=O)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000243892631 202477575 /nfs/dbraw/zinc/47/75/75/202477575.db2.gz AJTHXUUOVTZHDG-KKUMJFAQSA-N 0 0 318.373 0.937 50 0 DCAARN Cn1ccnc1[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)CCN1C ZINC000276507888 238322068 /nfs/dbraw/zinc/32/20/68/238322068.db2.gz CFVAVZOABMZVGE-LBPRGKRZSA-N 0 0 301.350 0.650 50 0 DCAARN O=C1CN(S(=O)(=O)c2ccccc2Br)CCN1 ZINC000006314188 181328261 /nfs/dbraw/zinc/32/82/61/181328261.db2.gz HBRGMSUFIXEOAB-UHFFFAOYSA-N 0 0 319.180 0.570 50 0 DCAARN Cc1ccn(CC(=O)N2CCC[C@H](Cn3cncn3)C2)c(=O)c1 ZINC000194738465 201280078 /nfs/dbraw/zinc/28/00/78/201280078.db2.gz WJLANVHBTVFLPV-AWEZNQCLSA-N 0 0 315.377 0.687 50 0 DCAARN CN(CCCC(=O)Nc1nc[nH]n1)S(=O)(=O)c1ccccc1 ZINC000006574672 181356184 /nfs/dbraw/zinc/35/61/84/181356184.db2.gz SZDRXLHIDBBBPY-UHFFFAOYSA-N 0 0 323.378 0.844 50 0 DCAARN COCCN1CC2=C(C1=O)[C@@H](c1ccc(O)cc1)NC(=O)N2C ZINC000006668399 181368188 /nfs/dbraw/zinc/36/81/88/181368188.db2.gz UTCYXFWTPXHWPV-CQSZACIVSA-N 0 0 317.345 0.831 50 0 DCAARN CN(C)S(=O)(=O)c1csc(C(=O)NC(C)(C)CO)c1 ZINC000006680321 181369734 /nfs/dbraw/zinc/36/97/34/181369734.db2.gz USVICPCNNBXTJI-UHFFFAOYSA-N 0 0 306.409 0.499 50 0 DCAARN Cc1ccc(-c2cc(C(=O)NCCN3CCNC3=O)[nH]n2)o1 ZINC000091526193 193069552 /nfs/dbraw/zinc/06/95/52/193069552.db2.gz ZESCKAGXDLLSRC-UHFFFAOYSA-N 0 0 303.322 0.733 50 0 DCAARN CC(=O)N[C@@H](CCC(N)=O)c1nc(-c2ccc(C)nn2)no1 ZINC000091595600 193077731 /nfs/dbraw/zinc/07/77/31/193077731.db2.gz GLWMUQGSTPWIIK-JTQLQIEISA-N 0 0 304.310 0.278 50 0 DCAARN O=C(CN1CCC2(CC1)[C@H](O)C[C@@H]2O)NCCc1ccccc1 ZINC000091602775 193078623 /nfs/dbraw/zinc/07/86/23/193078623.db2.gz ABSHBJAKKVGDEN-IYBDPMFKSA-N 0 0 318.417 0.553 50 0 DCAARN Cc1nc(CCNC(=O)CC[C@H]2NC(=O)NC2=O)sc1C ZINC000091616840 193079515 /nfs/dbraw/zinc/07/95/15/193079515.db2.gz JSYZOOSRZDGUMZ-SECBINFHSA-N 0 0 310.379 0.407 50 0 DCAARN CN(Cc1cccnc1Cl)C(=O)C1CCN(CC(N)=O)CC1 ZINC000091474507 193061309 /nfs/dbraw/zinc/06/13/09/193061309.db2.gz KBGJURNAVGVARK-UHFFFAOYSA-N 0 0 324.812 0.891 50 0 DCAARN CCN1CCC[C@@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1=O ZINC000091644396 193084177 /nfs/dbraw/zinc/08/41/77/193084177.db2.gz SAXWAJIWWZIDQG-KRWDZBQOSA-N 0 0 317.389 0.709 50 0 DCAARN Cc1nc(C)n(C[C@H](C)C(=O)N(C)CC2(CO)CCOCC2)n1 ZINC000091664800 193086744 /nfs/dbraw/zinc/08/67/44/193086744.db2.gz NHHDZMSNSYPFKW-LBPRGKRZSA-N 0 0 324.425 0.779 50 0 DCAARN CCN1C[C@@H](C(=O)N2CCN(CCn3cccc3)CC2)CC1=O ZINC000091663758 193086960 /nfs/dbraw/zinc/08/69/60/193086960.db2.gz UWZJPFDICHMERL-HNNXBMFYSA-N 0 0 318.421 0.501 50 0 DCAARN COc1cccc(OC)c1OCCN1CCOCS1(=O)=O ZINC000091665143 193088377 /nfs/dbraw/zinc/08/83/77/193088377.db2.gz UDUFRXQTILFUSN-UHFFFAOYSA-N 0 0 317.363 0.702 50 0 DCAARN Cn1cccc1-c1cc(C(=O)NCCc2nnc(N)s2)[nH]n1 ZINC000091988121 193137038 /nfs/dbraw/zinc/13/70/38/193137038.db2.gz XIWNSFSLPACCIA-UHFFFAOYSA-N 0 0 317.378 0.821 50 0 DCAARN CCN1C[C@@H](C(=O)NCCc2nc(COC)no2)CCC1=O ZINC000092047089 193147178 /nfs/dbraw/zinc/14/71/78/193147178.db2.gz IHXYCVHQIALIBT-JTQLQIEISA-N 0 0 310.354 0.133 50 0 DCAARN COCC[C@@]1(CO)CCCN(C(=O)c2ccn(C)c(=O)c2)C1 ZINC000092065934 193150929 /nfs/dbraw/zinc/15/09/29/193150929.db2.gz IBYKEWIYEGYBML-INIZCTEOSA-N 0 0 308.378 0.637 50 0 DCAARN Cc1c[nH]c([C@H](C)NC(=O)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000215418573 201460765 /nfs/dbraw/zinc/46/07/65/201460765.db2.gz MATGTWNPMOIGER-VIFPVBQESA-N 0 0 308.363 0.857 50 0 DCAARN Cc1cc(C)c(C(=O)NCCS(=O)(=O)CC(C)C)c(=O)[nH]1 ZINC000092076936 193154040 /nfs/dbraw/zinc/15/40/40/193154040.db2.gz BGNJCHNQEJSWNA-UHFFFAOYSA-N 0 0 314.407 0.792 50 0 DCAARN Cn1ccnc1SCCNC(=O)CSc1nncn1C ZINC000215693393 201468000 /nfs/dbraw/zinc/46/80/00/201468000.db2.gz OIYMBZXSSWKDSY-UHFFFAOYSA-N 0 0 312.424 0.549 50 0 DCAARN Cn1ccnc1C(=O)NC[C@@H](c1ccccn1)N1CCOCC1 ZINC000215305089 201457348 /nfs/dbraw/zinc/45/73/48/201457348.db2.gz KDKQVQYGVFCGTO-AWEZNQCLSA-N 0 0 315.377 0.618 50 0 DCAARN Cn1c(Cn2cccn2)nnc1C1CC[NH+](CCC(=O)[O-])CC1 ZINC000092107378 193160550 /nfs/dbraw/zinc/16/05/50/193160550.db2.gz MTHQYPWUSCBULJ-UHFFFAOYSA-N 0 0 318.381 0.714 50 0 DCAARN O=C(NC1CCCCCCC1)c1cc2n(n1)C[C@H](O)CNC2=O ZINC000252486658 202845000 /nfs/dbraw/zinc/84/50/00/202845000.db2.gz HOBKKZLALSIQGK-GFCCVEGCSA-N 0 0 320.393 0.830 50 0 DCAARN NS(=O)(=O)C[C@H]1CCCN(C(=O)CCCn2cccc2)C1 ZINC000252494731 202850425 /nfs/dbraw/zinc/85/04/25/202850425.db2.gz OCWZJFPAMGTJPI-ZDUSSCGKSA-N 0 0 313.423 0.795 50 0 DCAARN CSCC[C@@H](CO)NC(=O)[C@@H](c1ccccc1)n1cnnn1 ZINC000252497984 202852440 /nfs/dbraw/zinc/85/24/40/202852440.db2.gz QSZZLTWGIIRHBS-QWHCGFSZSA-N 0 0 321.406 0.493 50 0 DCAARN COCCn1cnnc1[C@@H](C)NC(=O)Cc1c(C)noc1C ZINC000252479819 202840168 /nfs/dbraw/zinc/84/01/68/202840168.db2.gz BNGDXOFMYDBTII-SNVBAGLBSA-N 0 0 307.354 0.949 50 0 DCAARN CN1C[C@H](C(=O)N2CCC(Oc3cccnn3)CC2)CC1=O ZINC000096119357 193544850 /nfs/dbraw/zinc/54/48/50/193544850.db2.gz SGYJZAHWBPOBBM-LLVKDONJSA-N 0 0 304.350 0.325 50 0 DCAARN CCc1nnc(NC(=O)CCNC(=O)c2cc(C)nn2C)s1 ZINC000096192430 193570914 /nfs/dbraw/zinc/57/09/14/193570914.db2.gz ZWKKPSMJRKSBMF-UHFFFAOYSA-N 0 0 322.394 0.901 50 0 DCAARN CN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000008316453 181546441 /nfs/dbraw/zinc/54/64/41/181546441.db2.gz GOSRAFKVLPALHA-UHFFFAOYSA-N 0 0 316.354 0.548 50 0 DCAARN CNS(=O)(=O)c1cc(NC(=O)CCNC(C)=O)ccc1C ZINC000009155801 181604480 /nfs/dbraw/zinc/60/44/80/181604480.db2.gz UASKHAIJEBUGSY-UHFFFAOYSA-N 0 0 313.379 0.368 50 0 DCAARN CS(=O)(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000010044494 181655417 /nfs/dbraw/zinc/65/54/17/181655417.db2.gz JRWQZKBJTJLIDO-UHFFFAOYSA-N 0 0 322.394 0.180 50 0 DCAARN COc1cccc(C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)c1 ZINC000012707838 181789156 /nfs/dbraw/zinc/78/91/56/181789156.db2.gz GUVDQXMXVNSEDK-CQSZACIVSA-N 0 0 318.373 0.731 50 0 DCAARN CCNC(=O)NC(=O)CSc1nncn1Cc1ccco1 ZINC000014085182 181924340 /nfs/dbraw/zinc/92/43/40/181924340.db2.gz RBWHWYUCIHTJCE-UHFFFAOYSA-N 0 0 309.351 0.857 50 0 DCAARN O=C(NCCNS(=O)(=O)c1ccccc1)c1ccncc1 ZINC000017172981 182078755 /nfs/dbraw/zinc/07/87/55/182078755.db2.gz NABWTJHCKHZKBE-UHFFFAOYSA-N 0 0 305.359 0.790 50 0 DCAARN COc1cc(CC(=O)NCC(=O)N(C)C)cc(OC)c1OC ZINC000018231703 182100110 /nfs/dbraw/zinc/10/01/10/182100110.db2.gz OUAFDFOGIZITBN-UHFFFAOYSA-N 0 0 310.350 0.459 50 0 DCAARN CC(=O)c1cccc(S(=O)(=O)NCCN2CCOCC2)c1 ZINC000019232314 182110508 /nfs/dbraw/zinc/11/05/08/182110508.db2.gz HOIPHOSRLMVZKO-UHFFFAOYSA-N 0 0 312.391 0.500 50 0 DCAARN Cc1ccc(C(=O)NCCNC(=O)CN2CCOCC2)cc1 ZINC000019812371 182152617 /nfs/dbraw/zinc/15/26/17/182152617.db2.gz GSLMBINZCVHYOL-UHFFFAOYSA-N 0 0 305.378 0.173 50 0 DCAARN OC[C@@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000019911868 182163640 /nfs/dbraw/zinc/16/36/40/182163640.db2.gz MWHKPYATGMFFPI-ZVDSWSACSA-N 0 0 306.314 0.019 50 0 in-vitro DCAARN C[C@@H](C(=O)[O-])[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000020180725 182194624 /nfs/dbraw/zinc/19/46/24/182194624.db2.gz AZLXDAABDDZPBH-JTQLQIEISA-N 0 0 306.318 0.646 50 0 DCAARN Cc1cccc2nc(CN3CCN(CCOCCO)CC3)cn21 ZINC000020149240 182192254 /nfs/dbraw/zinc/19/22/54/182192254.db2.gz ZRGHQPNVVYOJSH-UHFFFAOYSA-N 0 0 318.421 0.769 50 0 DCAARN CC[C@@H](CO)NC(=O)c1nn(-c2ccc(C)cc2)nc1CO ZINC000021172712 182268414 /nfs/dbraw/zinc/26/84/14/182268414.db2.gz DGRRCFJIRWPQAV-NSHDSACASA-N 0 0 304.350 0.569 50 0 DCAARN O=C(CCn1nnc2ccccc2c1=O)NCCc1ccccn1 ZINC000021774987 182287983 /nfs/dbraw/zinc/28/79/83/182287983.db2.gz VXMMYEDDNMZQOK-UHFFFAOYSA-N 0 0 323.356 0.936 50 0 DCAARN NC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000022728486 182331560 /nfs/dbraw/zinc/33/15/60/182331560.db2.gz YYJYBDALELZVOA-GWCFXTLKSA-N 0 0 319.336 0.655 50 0 DCAARN COc1ccc(NC(=O)C[C@H](C(=O)[O-])[NH+]2CCN(C)CC2)cc1 ZINC000022466392 182322898 /nfs/dbraw/zinc/32/28/98/182322898.db2.gz QSFZBPFTSIHQAT-CQSZACIVSA-N 0 0 321.377 0.724 50 0 DCAARN COCCN1CCN(CC(=O)NCc2ccccc2F)CC1 ZINC000022912465 182339789 /nfs/dbraw/zinc/33/97/89/182339789.db2.gz YAJLQTJZGLPIHS-UHFFFAOYSA-N 0 0 309.385 0.706 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000023019406 182344605 /nfs/dbraw/zinc/34/46/05/182344605.db2.gz GOSWDHBQCHFRPQ-NSHDSACASA-N 0 0 323.418 0.805 50 0 DCAARN CCN(CCc1ccccn1)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000097931247 193767214 /nfs/dbraw/zinc/76/72/14/193767214.db2.gz DFQCQVIAHDZKNC-LBPRGKRZSA-N 0 0 304.350 0.461 50 0 DCAARN Nc1nccnc1C(=O)N1CCN(C(=O)CC2CCCC2)CC1 ZINC000023100614 182346887 /nfs/dbraw/zinc/34/68/87/182346887.db2.gz ORYWJZRIQWFYQZ-UHFFFAOYSA-N 0 0 317.393 0.924 50 0 DCAARN CC[C@@]1(C)NC(=O)N(NC(=O)CN(C)Cc2ccccc2)C1=O ZINC000023694759 182367138 /nfs/dbraw/zinc/36/71/38/182367138.db2.gz GFQWZOIUZASQBI-MRXNPFEDSA-N 0 0 318.377 0.870 50 0 DCAARN O=C(CN1CCN(Cc2ccco2)CC1)NC[C@H]1CCCO1 ZINC000023467622 182361240 /nfs/dbraw/zinc/36/12/40/182361240.db2.gz XOTFZYZNTMAONG-CQSZACIVSA-N 0 0 307.394 0.692 50 0 DCAARN NC(=O)C1CCN(C(=O)COC(=O)CCc2ccsc2)CC1 ZINC000024422045 182380030 /nfs/dbraw/zinc/38/00/30/182380030.db2.gz DCDAZAGBPWZVDK-UHFFFAOYSA-N 0 0 324.402 0.948 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)Cn1c2ccccc2n(C)c1=O ZINC000024479788 182381465 /nfs/dbraw/zinc/38/14/65/182381465.db2.gz TXEDENTUYGHHLH-UHFFFAOYSA-N 0 0 313.361 0.732 50 0 DCAARN CCNC(=O)NC(=O)[C@@H](C)Sc1nnnn1CC(C)C ZINC000024838214 182393240 /nfs/dbraw/zinc/39/32/40/182393240.db2.gz LIQLWRLVOXPJGZ-MRVPVSSYSA-N 0 0 300.388 0.655 50 0 DCAARN O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCC[C@H](O)C1 ZINC000026240264 182433865 /nfs/dbraw/zinc/43/38/65/182433865.db2.gz IJMGMOWQNSFXGY-AWEZNQCLSA-N 0 0 324.402 0.823 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 ZINC000029202377 182555371 /nfs/dbraw/zinc/55/53/71/182555371.db2.gz RMXQKGNYVKDNHY-NWDGAFQWSA-N 0 0 304.412 0.486 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC000029193769 182555445 /nfs/dbraw/zinc/55/54/45/182555445.db2.gz YDJXUVMAYNBHSS-LLVKDONJSA-N 0 0 300.380 0.752 50 0 DCAARN Cc1cc(C)n2nc(C(=O)NCCC(=O)N3CCCC3)nc2n1 ZINC000032721352 182656516 /nfs/dbraw/zinc/65/65/16/182656516.db2.gz ZGXWXAUDCJBDSJ-UHFFFAOYSA-N 0 0 316.365 0.483 50 0 DCAARN NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000032850786 182671790 /nfs/dbraw/zinc/67/17/90/182671790.db2.gz QZINHENBAHDDIO-LBPRGKRZSA-N 0 0 314.345 0.332 50 0 DCAARN CCOC(=O)C(NC(=O)c1ccc2c[nH]nc2c1)C(=O)OCC ZINC000032901438 182676119 /nfs/dbraw/zinc/67/61/19/182676119.db2.gz DTPXNUWHDHOCBG-UHFFFAOYSA-N 0 0 319.317 0.788 50 0 DCAARN Cc1ccccc1Cn1ccc(=O)n(CC(=O)NC(C)C)c1=O ZINC000033330925 182705407 /nfs/dbraw/zinc/70/54/07/182705407.db2.gz XZBZUJKLEAZKJC-UHFFFAOYSA-N 0 0 315.373 0.891 50 0 DCAARN C[C@@H](O)CNC(=O)c1nc(CC(=O)NCc2ccccc2)no1 ZINC000036366662 182819774 /nfs/dbraw/zinc/81/97/74/182819774.db2.gz URDKHIHHGJFFPP-SNVBAGLBSA-N 0 0 318.333 0.039 50 0 DCAARN O=C(NCCn1ncccc1=O)c1csc(-n2cccc2)n1 ZINC000038679133 183006331 /nfs/dbraw/zinc/00/63/31/183006331.db2.gz QKIUVDGOWGYBGN-UHFFFAOYSA-N 0 0 315.358 0.921 50 0 DCAARN COc1ccc(NC(=O)C[C@H]2Cn3ncnc3NC2=O)cc1 ZINC000040386473 183059390 /nfs/dbraw/zinc/05/93/90/183059390.db2.gz RAZBQSMHMCKEHX-VIFPVBQESA-N 0 0 301.306 0.884 50 0 DCAARN COc1ccc(COC[C@@H](O)CN2C(=O)CN(C)C2=O)cc1 ZINC000040465541 183072952 /nfs/dbraw/zinc/07/29/52/183072952.db2.gz XHERWGKMMWPUJA-LBPRGKRZSA-N 0 0 308.334 0.467 50 0 DCAARN CNC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000040476265 183075415 /nfs/dbraw/zinc/07/54/15/183075415.db2.gz SKPSZTWNUDOVIZ-UHFFFAOYSA-N 0 0 311.407 0.949 50 0 DCAARN COC(CNC(=O)c1ccn(-c2cc(Cl)ncn2)n1)OC ZINC000040478746 183075809 /nfs/dbraw/zinc/07/58/09/183075809.db2.gz WLJZMLCUXUJVQJ-UHFFFAOYSA-N 0 0 311.729 0.664 50 0 DCAARN C[C@H](c1nc(-c2ccccc2)no1)N1CCN(CC(N)=O)CC1 ZINC000040487660 183078626 /nfs/dbraw/zinc/07/86/26/183078626.db2.gz HXLYEJAPBAIATJ-GFCCVEGCSA-N 0 0 315.377 0.901 50 0 DCAARN CCNC(=O)CN(CC)C(=O)C1CCN(C(=O)OCC)CC1 ZINC000040489201 183079123 /nfs/dbraw/zinc/07/91/23/183079123.db2.gz YAWPKBSIQJOKKE-UHFFFAOYSA-N 0 0 313.398 0.840 50 0 DCAARN Cc1noc(C)c1C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000040497303 183081685 /nfs/dbraw/zinc/08/16/85/183081685.db2.gz ZUHIQDQXKSRDCP-UHFFFAOYSA-N 0 0 301.368 0.445 50 0 DCAARN CC(C)CCCNC(=O)c1ccc2c(=O)[nH]c(=O)n(C)c2n1 ZINC000040508901 183086221 /nfs/dbraw/zinc/08/62/21/183086221.db2.gz GEXFCTNQCPQPNN-UHFFFAOYSA-N 0 0 304.350 0.788 50 0 DCAARN C[C@@H](CNC(=O)CN1CCSC1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000040512351 183087496 /nfs/dbraw/zinc/08/74/96/183087496.db2.gz XESXOAPBEKMULF-SDDRHHMPSA-N 0 0 315.439 0.769 50 0 DCAARN CNC(=O)c1ccccc1OCc1cc(=O)n(C)c(=O)n1C ZINC000040520332 183090490 /nfs/dbraw/zinc/09/04/90/183090490.db2.gz LRTWIIMLEFCRFC-UHFFFAOYSA-N 0 0 303.318 0.023 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 ZINC000040542830 183098470 /nfs/dbraw/zinc/09/84/70/183098470.db2.gz OUQYKMLKGFUOBF-CHWSQXEVSA-N 0 0 318.439 0.733 50 0 DCAARN CCCc1noc([C@@H]2CCCCN2C(=O)Cn2cnnn2)n1 ZINC000040714890 183122454 /nfs/dbraw/zinc/12/24/54/183122454.db2.gz RFCUKNDYJZXVAK-JTQLQIEISA-N 0 0 305.342 0.762 50 0 DCAARN Cn1cc(CNC(=O)[C@@]2(C)Oc3ccccc3NC2=O)cn1 ZINC000041545640 183201736 /nfs/dbraw/zinc/20/17/36/183201736.db2.gz BHSXRMUKKVDLQJ-OAHLLOKOSA-N 0 0 300.318 0.826 50 0 DCAARN O=C(CCn1cnc2ccccc2c1=O)NC[C@H]1CCOC1 ZINC000041370621 183187247 /nfs/dbraw/zinc/18/72/47/183187247.db2.gz PSAMDNFFSYWTRV-GFCCVEGCSA-N 0 0 301.346 0.939 50 0 DCAARN Cc1ccc2ncn(CC(=O)NC(=O)NC3CC3)c(=O)c2c1 ZINC000042171563 183238192 /nfs/dbraw/zinc/23/81/92/183238192.db2.gz MIRZPVHMBQQMIG-UHFFFAOYSA-N 0 0 300.318 0.693 50 0 DCAARN CO[C@@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)c1ccccc1 ZINC000042750969 183305703 /nfs/dbraw/zinc/30/57/03/183305703.db2.gz RFOZSVONHOPHQI-RYUDHWBXSA-N 0 0 305.334 0.479 50 0 DCAARN O=C(Cn1nc(-c2cccs2)oc1=O)NC[C@@H]1CCOC1 ZINC000042725531 183301899 /nfs/dbraw/zinc/30/18/99/183301899.db2.gz GLHBRLLBMDJPJG-VIFPVBQESA-N 0 0 309.347 0.718 50 0 DCAARN CS(=O)(=O)N1CCCN(C(=O)c2cn3ccccc3n2)CC1 ZINC000042751955 183305110 /nfs/dbraw/zinc/30/51/10/183305110.db2.gz RLZSIPIYKPENCI-UHFFFAOYSA-N 0 0 322.390 0.442 50 0 DCAARN O=C(NCCNc1ncccn1)NC[C@H](O)c1ccccc1 ZINC000043049700 183333010 /nfs/dbraw/zinc/33/30/10/183333010.db2.gz CVIIBNDDYRRNQW-ZDUSSCGKSA-N 0 0 301.350 0.921 50 0 DCAARN C[C@@H](NC(=O)Nc1cn[nH]c1)c1ccc(S(N)(=O)=O)cc1 ZINC000043160373 183342029 /nfs/dbraw/zinc/34/20/29/183342029.db2.gz BNRPZFRDNZAFBL-MRVPVSSYSA-N 0 0 309.351 0.940 50 0 DCAARN Cc1cc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)no1 ZINC000043979429 183391065 /nfs/dbraw/zinc/39/10/65/183391065.db2.gz PCQLBUNFQYZEQG-UHFFFAOYSA-N 0 0 301.368 0.384 50 0 DCAARN COCCOCC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000044916408 183456696 /nfs/dbraw/zinc/45/66/96/183456696.db2.gz MLOQPYYDHIWSOO-SNVBAGLBSA-N 0 0 308.334 0.858 50 0 DCAARN CC(=O)N1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1 ZINC000044866954 183443585 /nfs/dbraw/zinc/44/35/85/183443585.db2.gz XOWAMZBOUPKLLP-UHFFFAOYSA-N 0 0 304.272 0.593 50 0 DCAARN C[C@H](C(=O)N1CCN(Cc2cccnc2)CC1)S(C)(=O)=O ZINC000044949422 183465243 /nfs/dbraw/zinc/46/52/43/183465243.db2.gz IUSUDQMDYXKCHH-GFCCVEGCSA-N 0 0 311.407 0.159 50 0 DCAARN Cc1ccc(CNC(=O)CN2CCS(=O)(=O)CC2)cc1F ZINC000045876666 183534277 /nfs/dbraw/zinc/53/42/77/183534277.db2.gz MRKXBTXDUDPNEL-UHFFFAOYSA-N 0 0 314.382 0.481 50 0 DCAARN C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1nnc2n1CCCCC2 ZINC000046353656 183560114 /nfs/dbraw/zinc/56/01/14/183560114.db2.gz PQGUIDQAGVEKBY-SNVBAGLBSA-N 0 0 318.381 0.790 50 0 DCAARN CC[C@H](C)NC(=O)c1ccc(CNC(=O)Cn2cnnn2)cc1 ZINC000048911662 183695400 /nfs/dbraw/zinc/69/54/00/183695400.db2.gz MAOFFJHDAWTGQU-NSHDSACASA-N 0 0 316.365 0.518 50 0 DCAARN Cc1cc(C)c(CCNC(=O)CN2CCNC(=O)C2)c(C)c1 ZINC000051380012 183825501 /nfs/dbraw/zinc/82/55/01/183825501.db2.gz IZEOXVHDIZMVIF-UHFFFAOYSA-N 0 0 303.406 0.702 50 0 DCAARN CCOC(=O)NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000053757290 183912088 /nfs/dbraw/zinc/91/20/88/183912088.db2.gz CPMZDXDYGSZBOB-UHFFFAOYSA-N 0 0 315.276 0.766 50 0 DCAARN CS(=O)(=O)c1ccc(NC(=O)NC[C@H]2COCCO2)cc1 ZINC000056557905 184015784 /nfs/dbraw/zinc/01/57/84/184015784.db2.gz ICUUOFHHXSTAAX-NSHDSACASA-N 0 0 314.363 0.627 50 0 DCAARN Cc1ccc(N2C[C@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1F ZINC000057050671 184025902 /nfs/dbraw/zinc/02/59/02/184025902.db2.gz DSAFIZMFZVVMKV-SNVBAGLBSA-N 0 0 321.352 0.867 50 0 DCAARN Cc1cc(C(=O)NCCCn2ncc3c2c(C)nn3C)n(C)n1 ZINC000057279052 184031313 /nfs/dbraw/zinc/03/13/13/184031313.db2.gz PJPDILWVUIZFCJ-UHFFFAOYSA-N 0 0 315.381 0.940 50 0 DCAARN CN(C)C(=O)COc1cc(C(=O)NCc2ccncc2)nn1C ZINC000057312675 184033086 /nfs/dbraw/zinc/03/30/86/184033086.db2.gz QMVFATLGWUWVCR-UHFFFAOYSA-N 0 0 317.349 0.212 50 0 DCAARN CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCc3ccccc32)nn1 ZINC000056970912 184023240 /nfs/dbraw/zinc/02/32/40/184023240.db2.gz SJPLBDKZAPKOFH-ZDUSSCGKSA-N 0 0 313.361 0.784 50 0 DCAARN CN(C)S(=O)(=O)CCCN1CCN(c2nccs2)CC1 ZINC000057872057 184059710 /nfs/dbraw/zinc/05/97/10/184059710.db2.gz OWNGYKKLAHAFGY-UHFFFAOYSA-N 0 0 318.468 0.547 50 0 DCAARN C[C@@H](OC[C@H]1CCCCO1)C(=O)NCCNc1cnccn1 ZINC000058017711 184067836 /nfs/dbraw/zinc/06/78/36/184067836.db2.gz GRPDUDICCSAHHE-CHWSQXEVSA-N 0 0 308.382 0.979 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)NCc2c[nH]nc2C)c1 ZINC000058201769 184086922 /nfs/dbraw/zinc/08/69/22/184086922.db2.gz MTVPBLNWDGSUIM-UHFFFAOYSA-N 0 0 308.363 0.556 50 0 DCAARN CCN1C(=O)C(=O)N(CC(=O)c2cc(C)ccc2OC)C1=O ZINC000058209106 184087996 /nfs/dbraw/zinc/08/79/96/184087996.db2.gz VBLXPGQZNMPNAJ-UHFFFAOYSA-N 0 0 304.302 0.997 50 0 DCAARN C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccncc1 ZINC000058225674 184090375 /nfs/dbraw/zinc/09/03/75/184090375.db2.gz ZVYDMTKUQDIADJ-SNVBAGLBSA-N 0 0 312.333 0.402 50 0 DCAARN CC(=O)c1ccccc1NCC(=O)N1CCN(C(C)=O)CC1 ZINC000058126537 184078038 /nfs/dbraw/zinc/07/80/38/184078038.db2.gz BPXMYJGSJHBJFX-UHFFFAOYSA-N 0 0 303.362 0.992 50 0 DCAARN CN(C)C(=O)Cc1ccccc1NCC(=O)NC(=O)NC1CC1 ZINC000058136752 184079943 /nfs/dbraw/zinc/07/99/43/184079943.db2.gz NTXSLKQLULRAGO-UHFFFAOYSA-N 0 0 318.377 0.717 50 0 DCAARN CCN(C[C@@H](C)C(=O)OC)C(=O)c1cccc(-n2cnnn2)c1 ZINC000058378496 184110202 /nfs/dbraw/zinc/11/02/02/184110202.db2.gz IBMOTJBPHYQTQE-LLVKDONJSA-N 0 0 317.349 0.934 50 0 DCAARN O=C(NCCNC(=O)c1ccc[nH]c1=O)c1ccc(F)cc1F ZINC000058250633 184094717 /nfs/dbraw/zinc/09/47/17/184094717.db2.gz XUJBNTOCTIKCRA-UHFFFAOYSA-N 0 0 321.283 0.813 50 0 DCAARN CC[C@@H](C)C(=O)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC000058249390 184095042 /nfs/dbraw/zinc/09/50/42/184095042.db2.gz WSNNWCLWFLSOHM-MRVPVSSYSA-N 0 0 318.333 0.730 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000058279293 184098809 /nfs/dbraw/zinc/09/88/09/184098809.db2.gz XGBQMIWBYZACSZ-UHFFFAOYSA-N 0 0 308.306 0.087 50 0 DCAARN CCCNC(=O)[C@H](C)NC(=O)CNC(=O)OCc1ccccc1 ZINC000058280552 184098924 /nfs/dbraw/zinc/09/89/24/184098924.db2.gz HGFSPCAESJDVNK-LBPRGKRZSA-N 0 0 321.377 0.944 50 0 DCAARN O=C(CNC(=O)NC[C@@H]1CCCO1)NCCc1ccccc1 ZINC000058478755 184120172 /nfs/dbraw/zinc/12/01/72/184120172.db2.gz LWMJUSHPZAYEKL-AWEZNQCLSA-N 0 0 305.378 0.824 50 0 DCAARN Cn1cc(-c2nc(CN3CCN(CCO)CC3)cs2)cn1 ZINC000060460705 184149513 /nfs/dbraw/zinc/14/95/13/184149513.db2.gz MYCFSMJWCZVRQD-UHFFFAOYSA-N 0 0 307.423 0.654 50 0 DCAARN O=C1CN(Cc2nnnn2-c2ccc(OC(F)F)cc2)CCN1 ZINC000060463716 184149666 /nfs/dbraw/zinc/14/96/66/184149666.db2.gz SDTITLNUEJTHJW-UHFFFAOYSA-N 0 0 324.291 0.196 50 0 DCAARN Cc1nc(C)c(C(=O)NCCN2CCCS2(=O)=O)s1 ZINC000061598056 184176414 /nfs/dbraw/zinc/17/64/14/184176414.db2.gz VZQIBCXEXTWRHQ-UHFFFAOYSA-N 0 0 303.409 0.525 50 0 DCAARN COCCNC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O ZINC000061717503 184184905 /nfs/dbraw/zinc/18/49/05/184184905.db2.gz PEQRQOKMNPYMMC-UHFFFAOYSA-N 0 0 321.333 0.176 50 0 DCAARN C/C(=C/C(=O)OCC(=O)N1CCNC(=O)C1)c1ccccc1F ZINC000064171335 184292849 /nfs/dbraw/zinc/29/28/49/184292849.db2.gz DRZAJMVDFZTOLX-FLIBITNWSA-N 0 0 320.320 0.731 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)c(C)n1C ZINC000064923040 184306457 /nfs/dbraw/zinc/30/64/57/184306457.db2.gz QAYHWTRDJSBQAZ-SNVBAGLBSA-N 0 0 316.379 0.577 50 0 DCAARN CC(C)CCNC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000065030968 184308759 /nfs/dbraw/zinc/30/87/59/184308759.db2.gz LENOOCVYTLKIRL-UHFFFAOYSA-N 0 0 306.366 0.201 50 0 DCAARN COCCOc1ccc(CNC(=O)[C@@H]2CCCN2C(C)=O)cn1 ZINC000065390771 184334087 /nfs/dbraw/zinc/33/40/87/184334087.db2.gz QCBXEJUXXFLEOG-AWEZNQCLSA-N 0 0 321.377 0.734 50 0 DCAARN O=C([O-])[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cccc3nccnc31)C2 ZINC000065434227 184344752 /nfs/dbraw/zinc/34/47/52/184344752.db2.gz CCJWGVTXTTXNQJ-QFYYESIMSA-N 0 0 312.329 0.376 50 0 DCAARN Cc1cc(C)n(C2CN(c3cc(NCCO)nc(N)n3)C2)n1 ZINC000065461695 184348862 /nfs/dbraw/zinc/34/88/62/184348862.db2.gz LWBYTZSWSSWWFJ-UHFFFAOYSA-N 0 0 303.370 0.338 50 0 DCAARN CCSc1ncc(CN(C)[C@@H]2CS(=O)(=O)C[C@H]2O)cn1 ZINC000065405536 184337602 /nfs/dbraw/zinc/33/76/02/184337602.db2.gz OWAOQCWLCWXPKT-GHMZBOCLSA-N 0 0 317.436 0.178 50 0 DCAARN CCc1ocnc1C(=O)N1CCn2nc(C(=O)OC)cc2C1 ZINC000065406721 184338448 /nfs/dbraw/zinc/33/84/48/184338448.db2.gz FBKKTRWPNQLCGN-UHFFFAOYSA-N 0 0 304.306 0.876 50 0 DCAARN CCCn1nnnc1CN1CCc2ncnc(N(C)C)c2C1 ZINC000065540499 184363126 /nfs/dbraw/zinc/36/31/26/184363126.db2.gz POXHNYDALONXBS-UHFFFAOYSA-N 0 0 302.386 0.497 50 0 DCAARN Cc1noc(C2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)n1 ZINC000065541580 184363579 /nfs/dbraw/zinc/36/35/79/184363579.db2.gz HHSLRBLDISOZMH-NSHDSACASA-N 0 0 308.382 0.805 50 0 DCAARN C[C@@H](NC(=O)CN1CCC[C@H](CNS(C)(=O)=O)C1)C1CC1 ZINC000065586501 184369149 /nfs/dbraw/zinc/36/91/49/184369149.db2.gz GJWMHOGELKNHPO-VXGBXAGGSA-N 0 0 317.455 0.162 50 0 DCAARN Cc1nc(C)c(CCC(=O)N[C@@H]2CCc3nccn3C2)c(=O)[nH]1 ZINC000065603694 184371396 /nfs/dbraw/zinc/37/13/96/184371396.db2.gz CFSJUYQWTKMCFF-GFCCVEGCSA-N 0 0 315.377 0.647 50 0 DCAARN COc1ccc(CC(=O)NC[C@@H]2CN(C)CCO2)cc1OC ZINC000065495763 184355155 /nfs/dbraw/zinc/35/51/55/184355155.db2.gz YLADYAHRAMXQSQ-CYBMUJFWSA-N 0 0 308.378 0.693 50 0 DCAARN COc1c(CNCCS(=O)(=O)NC(C)(C)C)c(C)nn1C ZINC000065514475 184358089 /nfs/dbraw/zinc/35/80/89/184358089.db2.gz XVDARDNMPGPYSA-UHFFFAOYSA-N 0 0 318.443 0.545 50 0 DCAARN NC(=O)CCN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)C1=O ZINC000065611892 184373730 /nfs/dbraw/zinc/37/37/30/184373730.db2.gz ZZGJMPNZKISBPP-LBPRGKRZSA-N 0 0 315.251 0.871 50 0 DCAARN Cc1ccc(F)cc1-n1ccn(CC(=O)NC(C)C)c(=O)c1=O ZINC000067320350 184459903 /nfs/dbraw/zinc/45/99/03/184459903.db2.gz LEPAIRXXEPQPBZ-UHFFFAOYSA-N 0 0 319.336 0.971 50 0 DCAARN Cc1ccc(F)c(-n2nnnc2CN2CCC[C@@H]2C(N)=O)c1 ZINC000069483765 184518277 /nfs/dbraw/zinc/51/82/77/184518277.db2.gz UHXHTHQHKRRKCL-LLVKDONJSA-N 0 0 304.329 0.560 50 0 DCAARN COCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000408520570 533065333 /nfs/dbraw/zinc/06/53/33/533065333.db2.gz MAIBUAZBCCOHHK-NSHDSACASA-N 0 0 302.371 0.775 50 0 DCAARN OC[C@@H]1CCCN1c1cc(NCCC2(O)CCOCC2)ncn1 ZINC000286525728 219035903 /nfs/dbraw/zinc/03/59/03/219035903.db2.gz ZYYPGOULPLMXRD-ZDUSSCGKSA-N 0 0 322.409 0.781 50 0 DCAARN Cc1nccn1CCNC(=O)c1cccc(OCC(N)=O)c1 ZINC000346546200 254065894 /nfs/dbraw/zinc/06/58/94/254065894.db2.gz GWWVSACXEADKBB-UHFFFAOYSA-N 0 0 302.334 0.486 50 0 DCAARN O=c1c2ccc(Cl)cc2ncn1[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000014198553 285209952 /nfs/dbraw/zinc/20/99/52/285209952.db2.gz ASKKPIVUTWOFDT-GHMZBOCLSA-N 0 0 314.750 0.380 50 0 DCAARN Cc1cc(O)ccc1C(=O)N1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000155987778 197078499 /nfs/dbraw/zinc/07/84/99/197078499.db2.gz JZIRVVKCBIMFLQ-ZDUSSCGKSA-N 0 0 324.402 0.997 50 0 DCAARN COC(=O)CCNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O ZINC000524735192 257213523 /nfs/dbraw/zinc/21/35/23/257213523.db2.gz DWHJJQCPDCJSDZ-UHFFFAOYSA-N 0 0 319.317 0.172 50 0 DCAARN CNC(=O)c1cccc(NC(=O)c2cc(=O)c(OC)c[nH]2)c1 ZINC000524735398 257213589 /nfs/dbraw/zinc/21/35/89/257213589.db2.gz AFSPSGDYSYTNAA-UHFFFAOYSA-N 0 0 301.302 0.995 50 0 DCAARN CO[C@H]1COC[C@H]1S(=O)(=O)N[C@H](C)Cc1c(C)noc1C ZINC000521395651 257241246 /nfs/dbraw/zinc/24/12/46/257241246.db2.gz XSUDPMHBESRFAQ-OXHMUOHRSA-N 0 0 318.395 0.556 50 0 DCAARN CN1CCN(c2ncc(F)c(N3CCCC3)n2)C[C@H]1CCO ZINC000106247392 257242409 /nfs/dbraw/zinc/24/24/09/257242409.db2.gz ODHNZCGUGLKSRQ-GFCCVEGCSA-N 0 0 309.389 0.719 50 0 DCAARN O=C(c1ccccc1-n1cnnc1)N1CCN2C(=O)OC[C@H]2C1 ZINC000426717027 257243101 /nfs/dbraw/zinc/24/31/01/257243101.db2.gz TYWDAYXWVJFBDU-LLVKDONJSA-N 0 0 313.317 0.544 50 0 DCAARN COc1ncc(C(=O)NCCn2c(C)cc(C)nc2=O)cn1 ZINC000426604644 257245322 /nfs/dbraw/zinc/24/53/22/257245322.db2.gz VPIGFNLJZAPABC-UHFFFAOYSA-N 0 0 303.322 0.089 50 0 DCAARN Cn1c(C[NH3+])nnc1SCCCOc1ccc(C(N)=O)cc1 ZINC000426563565 257246384 /nfs/dbraw/zinc/24/63/84/257246384.db2.gz XJLLFGGKSCQXEE-UHFFFAOYSA-N 0 0 321.406 0.934 50 0 DCAARN CC(=O)NCc1cc2n(n1)CCN(c1noc(C3CC3)n1)C2 ZINC000426505994 257248533 /nfs/dbraw/zinc/24/85/33/257248533.db2.gz YVUYZIAXOCSREZ-UHFFFAOYSA-N 0 0 302.338 0.800 50 0 DCAARN Cn1ccnc1CN1CCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC000426489818 257249062 /nfs/dbraw/zinc/24/90/62/257249062.db2.gz XFLQXHYPPFBHQC-AWEZNQCLSA-N 0 0 306.410 0.881 50 0 DCAARN CC(C)[C@H](Oc1ccccc1)C(=O)N1CC2(C1)CNC(=O)N2 ZINC000426472993 257249175 /nfs/dbraw/zinc/24/91/75/257249175.db2.gz UQKNIDVVQIFPNI-ZDUSSCGKSA-N 0 0 303.362 0.984 50 0 DCAARN COc1ncc(C(=O)N2CCC3(CC2)OCCC[C@@H]3O)cn1 ZINC000426477641 257249359 /nfs/dbraw/zinc/24/93/59/257249359.db2.gz BJNZQRCEYXFOAL-LBPRGKRZSA-N 0 0 307.350 0.631 50 0 DCAARN COc1ncc(C(=O)N2CCC3(CC2)OCCC[C@H]3O)cn1 ZINC000426477636 257249724 /nfs/dbraw/zinc/24/97/24/257249724.db2.gz BJNZQRCEYXFOAL-GFCCVEGCSA-N 0 0 307.350 0.631 50 0 DCAARN CC(=O)N1CCN(C(=O)NCCc2ccc(C)o2)C[C@H](O)C1 ZINC000426399273 257251360 /nfs/dbraw/zinc/25/13/60/257251360.db2.gz SJSSVLPFRUBPMM-CYBMUJFWSA-N 0 0 309.366 0.365 50 0 DCAARN Cc1c(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)ccn1C ZINC000426360150 257253041 /nfs/dbraw/zinc/25/30/41/257253041.db2.gz LMWRIAWUGAYMRD-UHFFFAOYSA-N 0 0 305.378 0.797 50 0 DCAARN O=C([C@@H]1COCCO1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000071833016 184861309 /nfs/dbraw/zinc/86/13/09/184861309.db2.gz MMISKNCJKKGXPY-LBPRGKRZSA-N 0 0 311.769 0.799 50 0 DCAARN NC(=O)[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)CCO1 ZINC000069621609 184826796 /nfs/dbraw/zinc/82/67/96/184826796.db2.gz OQWQVDDZCBOBLW-VIFPVBQESA-N 0 0 322.745 0.354 50 0 DCAARN Cn1cccc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c1=O ZINC000074019948 184951327 /nfs/dbraw/zinc/95/13/27/184951327.db2.gz NRHOMDZNXRHDGO-LBPRGKRZSA-N 0 0 303.362 0.972 50 0 DCAARN CCc1ccc(C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)o1 ZINC000071886477 184888347 /nfs/dbraw/zinc/88/83/47/184888347.db2.gz LMUHJDJKJJZACH-UHFFFAOYSA-N 0 0 321.377 0.653 50 0 DCAARN O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2)CC1 ZINC000007754756 134484957 /nfs/dbraw/zinc/48/49/57/134484957.db2.gz QOOGMRFGAJZWPL-CYBMUJFWSA-N 0 0 308.403 0.770 50 0 DCAARN CC(C)NC(=O)c1nnc2ccc(N3CCOCC3)cc2n1 ZINC000057280147 134781638 /nfs/dbraw/zinc/78/16/38/134781638.db2.gz YSCIURDRQBIRSI-UHFFFAOYSA-N 0 0 301.350 1.000 50 0 DCAARN CCNS(=O)(=O)c1ccc(C(=O)NCCCOC)cc1 ZINC000008267783 395684254 /nfs/dbraw/zinc/68/42/54/395684254.db2.gz PMNWAGWCTGMFIF-UHFFFAOYSA-N 0 0 300.380 0.751 50 0 DCAARN CC(C)Cn1c(S[C@H](C)C(N)=O)nnc1N1CCOCC1 ZINC000008249983 395684296 /nfs/dbraw/zinc/68/42/96/395684296.db2.gz DNCJHSSHGGHBRF-SNVBAGLBSA-N 0 0 313.427 0.737 50 0 DCAARN CCOc1ccccc1CNS(=O)(=O)c1cnc(N)nc1 ZINC000008600431 395684716 /nfs/dbraw/zinc/68/47/16/395684716.db2.gz BFMOEJVONZAWHU-UHFFFAOYSA-N 0 0 308.363 0.936 50 0 DCAARN C[C@@H](O)CN1CC2=C(C1=O)[C@@H](c1cccc(F)c1)NC(=O)N2 ZINC000008755414 395684908 /nfs/dbraw/zinc/68/49/08/395684908.db2.gz OCLSWHCROQWDJA-AMIZOPFISA-N 0 0 305.309 0.657 50 0 DCAARN NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000009342750 395685343 /nfs/dbraw/zinc/68/53/43/395685343.db2.gz VNNXYAOYRKGKHS-UHFFFAOYSA-N 0 0 307.169 0.603 50 0 DCAARN O=C(Cn1nnn(-c2ccccc2)c1=O)NCc1ccccc1 ZINC000009481212 395685471 /nfs/dbraw/zinc/68/54/71/395685471.db2.gz MWKLBZKYPRBWNZ-UHFFFAOYSA-N 0 0 309.329 0.745 50 0 DCAARN CCNC(=O)c1cccc(NC(=O)CN2CSCC2=O)c1 ZINC000009867309 395685619 /nfs/dbraw/zinc/68/56/19/395685619.db2.gz RDMIVPBTWOCYSG-UHFFFAOYSA-N 0 0 307.375 0.908 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000009761545 395685721 /nfs/dbraw/zinc/68/57/21/395685721.db2.gz AJFFQIKSISVAJH-UHFFFAOYSA-N 0 0 324.362 0.160 50 0 DCAARN CN1C(=O)N(CC(=O)NC[C@H]2CCCO2)C(=O)C12CCCCC2 ZINC000010030591 395685764 /nfs/dbraw/zinc/68/57/64/395685764.db2.gz AYZDHAJBIKAASH-GFCCVEGCSA-N 0 0 323.393 0.879 50 0 DCAARN Cc1ccc(O)c(C(=O)N2CCC(NS(C)(=O)=O)CC2)c1 ZINC000010416867 395686033 /nfs/dbraw/zinc/68/60/33/395686033.db2.gz CYBIXMIZOPVXBZ-UHFFFAOYSA-N 0 0 312.391 0.854 50 0 DCAARN COc1ccc(N([C@@H](C)C(N)=O)S(C)(=O)=O)cc1Cl ZINC000010338117 395686040 /nfs/dbraw/zinc/68/60/40/395686040.db2.gz VZEQAVLVFNPUKI-ZETCQYMHSA-N 0 0 306.771 0.988 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCc2sccc2C1 ZINC000010924884 395686350 /nfs/dbraw/zinc/68/63/50/395686350.db2.gz VTWMIWKLKSMRQY-UHFFFAOYSA-N 0 0 319.386 0.951 50 0 DCAARN COC(=O)c1cc(CNC(=O)c2nccnc2N)ccc1OC ZINC000011237604 395686390 /nfs/dbraw/zinc/68/63/90/395686390.db2.gz DNUZUKQWPVCBCW-UHFFFAOYSA-N 0 0 316.317 0.784 50 0 DCAARN CS(=O)(=O)Nc1cccc(CNc2ccc3nnnn3n2)c1 ZINC000011607634 395686619 /nfs/dbraw/zinc/68/66/19/395686619.db2.gz NNNMKYZLVUPXET-UHFFFAOYSA-N 0 0 319.350 0.503 50 0 DCAARN C[C@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CCO1 ZINC000011498585 395686688 /nfs/dbraw/zinc/68/66/88/395686688.db2.gz MXFVXMOUTLMSOB-JTQLQIEISA-N 0 0 306.318 0.392 50 0 DCAARN CC(=O)c1cccc(NC(=O)CCn2ccc(=O)[nH]c2=O)c1 ZINC000011905156 395686913 /nfs/dbraw/zinc/68/69/13/395686913.db2.gz BXFOTQWIDSDYEK-UHFFFAOYSA-N 0 0 301.302 0.768 50 0 DCAARN CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(C)C ZINC000012232518 395687197 /nfs/dbraw/zinc/68/71/97/395687197.db2.gz NEPNCKXDCIIKKQ-UHFFFAOYSA-N 0 0 307.398 0.936 50 0 DCAARN CC(=O)c1cccc(NC(=O)CSc2nncc(=O)n2N)c1 ZINC000012347876 395687443 /nfs/dbraw/zinc/68/74/43/395687443.db2.gz LEPDQJGFHMPVBU-UHFFFAOYSA-N 0 0 319.346 0.286 50 0 DCAARN CC[C@H](C)[C@H](NC(=O)c1ccccc1-n1cnnn1)C(=O)OC ZINC000012390681 395687572 /nfs/dbraw/zinc/68/75/72/395687572.db2.gz DBABZFCBQCUZLJ-GWCFXTLKSA-N 0 0 317.349 0.980 50 0 DCAARN c1cc(-c2nn3c(nnc3-c3cnccn3)s2)c2nnnn2c1 ZINC000012428612 395687668 /nfs/dbraw/zinc/68/76/68/395687668.db2.gz VZMSIBJYWDIYAE-UHFFFAOYSA-N 0 0 322.317 0.748 50 0 DCAARN C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCNC(=O)C1 ZINC000012517539 395687735 /nfs/dbraw/zinc/68/77/35/395687735.db2.gz MJDKXOXXUQYZFB-SNVBAGLBSA-N 0 0 313.365 0.690 50 0 DCAARN O=C(C[C@H]1CSc2nccc(=O)n21)NCc1ccncc1 ZINC000012666942 395687874 /nfs/dbraw/zinc/68/78/74/395687874.db2.gz DYIBOAFDXRMKFN-NSHDSACASA-N 0 0 302.359 0.992 50 0 DCAARN Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)N3CCCC3)nn21 ZINC000012857591 395688002 /nfs/dbraw/zinc/68/80/02/395688002.db2.gz GENHTSIIPPOOFF-JTQLQIEISA-N 0 0 303.322 0.600 50 0 DCAARN O=C1CN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)CCN1 ZINC000012875855 395688131 /nfs/dbraw/zinc/68/81/31/395688131.db2.gz UNLZBCJIGFPMQN-ZBFHGGJFSA-N 0 0 304.390 0.873 50 0 DCAARN C[C@@H]1NC(=S)N(C[C@@H]2CN(Cc3ccccc3)CCO2)C1=O ZINC000012924526 395688183 /nfs/dbraw/zinc/68/81/83/395688183.db2.gz VLAOUUISLNZGAM-JSGCOSHPSA-N 0 0 319.430 0.993 50 0 DCAARN C[C@H](c1ccccc1)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000012985255 395688314 /nfs/dbraw/zinc/68/83/14/395688314.db2.gz QJXCRKWVKDHAMG-TZMCWYRMSA-N 0 0 310.419 0.983 50 0 DCAARN OC[C@@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@H](O)[C@H](O)[C@H]1O ZINC000013514548 395688619 /nfs/dbraw/zinc/68/86/19/395688619.db2.gz MWHKPYATGMFFPI-AALSBFMBSA-N 0 0 306.314 0.019 50 0 DCAARN CC(C)NC(=O)CNC(=O)C(=O)Nc1ccc2nsnc2c1 ZINC000013690818 395688832 /nfs/dbraw/zinc/68/88/32/395688832.db2.gz ZAFDXWRABNYORS-UHFFFAOYSA-N 0 0 321.362 0.271 50 0 DCAARN CCNC(=O)[C@H](C)NC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000014113630 395689047 /nfs/dbraw/zinc/68/90/47/395689047.db2.gz GBSTTXNGXYMTFR-JTQLQIEISA-N 0 0 307.350 0.066 50 0 DCAARN Nc1nccnc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000014053613 395689107 /nfs/dbraw/zinc/68/91/07/395689107.db2.gz AESJNYRDMYSYSS-UHFFFAOYSA-N 0 0 307.260 0.706 50 0 DCAARN O=c1n2ccccc2nn1CN(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000014266406 395689472 /nfs/dbraw/zinc/68/94/72/395689472.db2.gz SCOURPIKRDDIOK-LBPRGKRZSA-N 0 0 322.390 0.105 50 0 DCAARN CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1NC(C)=O ZINC000017004005 395690708 /nfs/dbraw/zinc/69/07/08/395690708.db2.gz XCDVOAZVARITEI-QNILMXGZSA-N 0 0 323.345 0.338 50 0 DCAARN COc1ccccc1N1CCN([C@H]2CC(=O)N(C)C2=O)CC1 ZINC000018093592 395690887 /nfs/dbraw/zinc/69/08/87/395690887.db2.gz NGTHSYDHCFTZHM-ZDUSSCGKSA-N 0 0 303.362 0.575 50 0 DCAARN CN1C(=O)C(=O)N(CN2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000024096806 395692714 /nfs/dbraw/zinc/69/27/14/395692714.db2.gz JNRDFDIKLOBCKS-UHFFFAOYSA-N 0 0 320.324 0.326 50 0 DCAARN O=C([O-])/C=C/C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC000000386744 395680336 /nfs/dbraw/zinc/68/03/36/395680336.db2.gz KXYOOBMDQBZUQX-AATRIKPKSA-N 0 0 319.361 0.380 50 0 DCAARN O=C(CSc1nnnn1-c1ccccc1F)N1CCOCC1 ZINC000000414692 395680463 /nfs/dbraw/zinc/68/04/63/395680463.db2.gz ADNPATPOZVNQFU-UHFFFAOYSA-N 0 0 323.353 0.752 50 0 DCAARN Cc1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1 ZINC000000545502 395680518 /nfs/dbraw/zinc/68/05/18/395680518.db2.gz VAGGUROXVCHNGF-UHFFFAOYSA-N 0 0 319.390 0.922 50 0 DCAARN COC(=O)C1=C[C@]2(CC(=O)N(c3cccc(Cl)c3)C2=O)NN1 ZINC000000535304 395680520 /nfs/dbraw/zinc/68/05/20/395680520.db2.gz JNBPNPAIURBNIL-CQSZACIVSA-N 0 0 321.720 0.864 50 0 DCAARN O=S(=O)(/C=C/c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000001197641 395680653 /nfs/dbraw/zinc/68/06/53/395680653.db2.gz HJZWFMSWPHKQTD-UVMWJGKXSA-N 0 0 301.389 0.764 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000001054072 395680697 /nfs/dbraw/zinc/68/06/97/395680697.db2.gz XVUSRHHOOPPLKB-UHFFFAOYSA-N 0 0 316.810 0.986 50 0 DCAARN CSc1nnc2c(S(=O)(=O)N3CCOCC3)cccn12 ZINC000001425153 395680822 /nfs/dbraw/zinc/68/08/22/395680822.db2.gz VNDNVSWZQVWLNB-UHFFFAOYSA-N 0 0 314.392 0.472 50 0 DCAARN NC(=[NH2+])NCCC[C@H](NC(=S)NCc1ccccc1)C(=O)[O-] ZINC000002290922 395681354 /nfs/dbraw/zinc/68/13/54/395681354.db2.gz JGHZYYHAZBBMNX-NSHDSACASA-N 0 0 323.422 0.367 50 0 DCAARN Cn1c(=O)c(Br)c(N)n(Cc2ccccc2)c1=O ZINC000003269821 395682453 /nfs/dbraw/zinc/68/24/53/395682453.db2.gz WHDJJPOKWBKVKI-UHFFFAOYSA-N 0 0 310.151 0.940 50 0 DCAARN COC(=O)c1ccsc1NC(=O)CSc1nnnn1C ZINC000006742453 395683114 /nfs/dbraw/zinc/68/31/14/395683114.db2.gz MYEKGYYEAXKZNA-UHFFFAOYSA-N 0 0 313.364 0.789 50 0 DCAARN c1ccc(-n2nnnc2N2CCN(c3ncccn3)CC2)cc1 ZINC000008149531 395684132 /nfs/dbraw/zinc/68/41/32/395684132.db2.gz DRTHTEBDYVCIDR-UHFFFAOYSA-N 0 0 308.349 0.779 50 0 DCAARN CN(C(=O)Cc1cn2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000029959175 395700908 /nfs/dbraw/zinc/70/09/08/395700908.db2.gz LCACKKFSXBQGCY-GFCCVEGCSA-N 0 0 307.375 0.522 50 0 DCAARN Cc1cc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)on1 ZINC000036879888 395724767 /nfs/dbraw/zinc/72/47/67/395724767.db2.gz OFKJXKPDRHMLLN-UHFFFAOYSA-N 0 0 323.374 0.978 50 0 DCAARN CS(=O)(=O)NCCNC(=O)c1nc(Cl)ccc1Cl ZINC000030787890 395704359 /nfs/dbraw/zinc/70/43/59/395704359.db2.gz YNUIUNSDFWLPMW-UHFFFAOYSA-N 0 0 312.178 0.667 50 0 DCAARN NC(=O)C1CCN(C(=O)CN2CC(=O)Oc3ccccc32)CC1 ZINC000031838081 395708516 /nfs/dbraw/zinc/70/85/16/395708516.db2.gz AVQXAHXFHSKOLL-UHFFFAOYSA-N 0 0 317.345 0.136 50 0 DCAARN Cc1c(C(=O)NCc2cccnc2N2CCOCC2)cnn1C ZINC000032017879 395708807 /nfs/dbraw/zinc/70/88/07/395708807.db2.gz REKSAVIRTCFIST-UHFFFAOYSA-N 0 0 315.377 0.890 50 0 DCAARN CCc1nnc([C@H](C)N2CCN(CCC(=O)NC3CC3)CC2)o1 ZINC000089296203 395709981 /nfs/dbraw/zinc/70/99/81/395709981.db2.gz AKHIRBSIAOHGQN-LBPRGKRZSA-N 0 0 321.425 0.979 50 0 DCAARN CCCCNC(=O)Cc1noc(CSc2nnnn2C)n1 ZINC000032322652 395710294 /nfs/dbraw/zinc/71/02/94/395710294.db2.gz WVRBPONXUCQSSN-UHFFFAOYSA-N 0 0 311.371 0.344 50 0 DCAARN COc1cc(C)ccc1S(=O)(=O)N1CCC(C(N)=O)CC1 ZINC000032498338 395711030 /nfs/dbraw/zinc/71/10/30/395711030.db2.gz TVAXRTKGQLEYJV-UHFFFAOYSA-N 0 0 312.391 0.890 50 0 DCAARN CN(C)C(=O)CNC(=O)c1cc(Br)ccc1O ZINC000032732291 395712825 /nfs/dbraw/zinc/71/28/25/395712825.db2.gz ZTUFUIUDPIBFBB-UHFFFAOYSA-N 0 0 301.140 0.973 50 0 DCAARN Cc1ccc(CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 ZINC000032770576 395713247 /nfs/dbraw/zinc/71/32/47/395713247.db2.gz VBMOFIMGVQLFMY-UHFFFAOYSA-N 0 0 307.375 0.911 50 0 DCAARN CN(Cc1ccco1)C(=O)CN1CCN(c2ncccn2)CC1 ZINC000032774719 395713460 /nfs/dbraw/zinc/71/34/60/395713460.db2.gz MTLDWOTWYQKSRG-UHFFFAOYSA-N 0 0 315.377 0.850 50 0 DCAARN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(C)C[C@@H]1C ZINC000089608835 395713523 /nfs/dbraw/zinc/71/35/23/395713523.db2.gz YGBAAZUQRXWTDX-VIFPVBQESA-N 0 0 317.436 0.480 50 0 DCAARN COC[C@H](C)NC(=O)c1ccccc1CN1C(=O)CNC1=O ZINC000032901788 395714153 /nfs/dbraw/zinc/71/41/53/395714153.db2.gz PJRQIIQPADYKDL-JTQLQIEISA-N 0 0 305.334 0.503 50 0 DCAARN CCOc1ccccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)OC ZINC000032860194 395714177 /nfs/dbraw/zinc/71/41/77/395714177.db2.gz QRWXDWQNTLCSNT-GFCCVEGCSA-N 0 0 320.345 0.589 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)C2CCCC2)C[C@H](C)O1 ZINC000032914985 395714747 /nfs/dbraw/zinc/71/47/47/395714747.db2.gz HVSUHQJQXRLIIG-TXEJJXNPSA-N 0 0 318.439 0.732 50 0 DCAARN O=C1CCCN1CCN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000089818765 395715272 /nfs/dbraw/zinc/71/52/72/395715272.db2.gz CHIDPUWZXUMZMQ-CHWSQXEVSA-N 0 0 300.424 0.650 50 0 DCAARN O=C(NC1CCCCC1)c1[nH]cnc1C(=O)N1CCOCC1 ZINC000033003830 395715556 /nfs/dbraw/zinc/71/55/56/395715556.db2.gz QBMKWSFPDCXHDZ-UHFFFAOYSA-N 0 0 306.366 0.945 50 0 DCAARN COc1cccc(CNC(=O)CCC(=O)N2CCOCC2)c1 ZINC000033028979 395716196 /nfs/dbraw/zinc/71/61/96/395716196.db2.gz GPHQVFFNTSGHTO-UHFFFAOYSA-N 0 0 306.362 0.950 50 0 DCAARN CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)NC3=O)C(=O)O1 ZINC000089917869 395716598 /nfs/dbraw/zinc/71/65/98/395716598.db2.gz DWWGHAAJJWNGBZ-SNVBAGLBSA-N 0 0 317.301 0.786 50 0 DCAARN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H]1C(N)=O ZINC000033612320 395717576 /nfs/dbraw/zinc/71/75/76/395717576.db2.gz UEFGNPGBLIZISI-ZETCQYMHSA-N 0 0 306.775 0.020 50 0 DCAARN O=C(c1ccc2c(c1)NC(=O)CO2)N1CCC2(CC1)OCCO2 ZINC000035377300 395720479 /nfs/dbraw/zinc/72/04/79/395720479.db2.gz IOXFJMOOPGQDAU-UHFFFAOYSA-N 0 0 318.329 0.997 50 0 DCAARN CCCCNC(=O)[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2C)C1 ZINC000035513438 395720801 /nfs/dbraw/zinc/72/08/01/395720801.db2.gz NXEIAJCGWNQFDL-GFCCVEGCSA-N 0 0 322.409 0.217 50 0 DCAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000036047424 395721888 /nfs/dbraw/zinc/72/18/88/395721888.db2.gz KAMZZNMARKDDED-UHFFFAOYSA-N 0 0 300.380 0.640 50 0 DCAARN COCCNC(=O)c1nc(CC(=O)NCc2ccccc2)no1 ZINC000036359797 395723377 /nfs/dbraw/zinc/72/33/77/395723377.db2.gz HZRIKRMNHGMRLE-UHFFFAOYSA-N 0 0 318.333 0.305 50 0 DCAARN COC(=O)Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2 ZINC000036367026 395723402 /nfs/dbraw/zinc/72/34/02/395723402.db2.gz LOIWYZSDJTXFOS-UHFFFAOYSA-N 0 0 322.708 0.860 50 0 DCAARN CCOCCCNC(=O)[C@@H](C)Oc1ccc(-n2cnnn2)cc1 ZINC000028575913 395696083 /nfs/dbraw/zinc/69/60/83/395696083.db2.gz YWBJOVPEKKGAGQ-GFCCVEGCSA-N 0 0 319.365 0.972 50 0 DCAARN CCOCCCNC(=O)[C@H](C)Oc1ccc(-n2cnnn2)cc1 ZINC000028575914 395696104 /nfs/dbraw/zinc/69/61/04/395696104.db2.gz YWBJOVPEKKGAGQ-LBPRGKRZSA-N 0 0 319.365 0.972 50 0 DCAARN O=S(=O)(NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1F ZINC000037982258 395729936 /nfs/dbraw/zinc/72/99/36/395729936.db2.gz LLTPLRJWMRWOGF-VIFPVBQESA-N 0 0 307.368 0.539 50 0 DCAARN CCN1C(=O)N[C@@](C)([C@@H]2CCCN(Cc3nc(C)no3)C2)C1=O ZINC000095402599 395740335 /nfs/dbraw/zinc/74/03/35/395740335.db2.gz RVSYQCZIHRHXAU-ABAIWWIYSA-N 0 0 321.381 0.920 50 0 DCAARN CN(CCNC(=O)Nc1cccc2c[nH]nc21)S(C)(=O)=O ZINC000095507615 395740806 /nfs/dbraw/zinc/74/08/06/395740806.db2.gz CGTHGFPHHOAQLI-UHFFFAOYSA-N 0 0 311.367 0.576 50 0 DCAARN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3cnn(C)c3)[C@H]2C1 ZINC000095974274 395741094 /nfs/dbraw/zinc/74/10/94/395741094.db2.gz VPYKDQVNVUDRTC-WXHSDQCUSA-N 0 0 315.395 0.377 50 0 DCAARN CC1(C)OC(=O)C[C@@H]1C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000096117997 395745807 /nfs/dbraw/zinc/74/58/07/395745807.db2.gz GLQMEKJTGFGIFG-LLVKDONJSA-N 0 0 301.306 0.943 50 0 DCAARN O=C([O-])[C@]12CN(Cc3ccc(Cl)o3)C[C@H]1C[N@@H+](CCO)C2 ZINC000096148900 395746184 /nfs/dbraw/zinc/74/61/84/395746184.db2.gz KJPCWTGKHMIETE-QMTHXVAHSA-N 0 0 314.769 0.744 50 0 DCAARN Cc1c(F)cccc1N1CC[C@@H](C(=O)NN2CCOCC2)C1=O ZINC000096280857 395752387 /nfs/dbraw/zinc/75/23/87/395752387.db2.gz ULNVPXKEMNXUTO-LBPRGKRZSA-N 0 0 321.352 0.850 50 0 DCAARN Cc1cccc(CS(=O)(=O)N2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC000096365193 395752968 /nfs/dbraw/zinc/75/29/68/395752968.db2.gz 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/nfs/dbraw/zinc/78/45/80/395784580.db2.gz SBGNEVQJFNBQJB-DYVFJYSZSA-N 0 0 317.437 0.769 50 0 DCAARN CCNC(=O)CNC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000044915670 395759958 /nfs/dbraw/zinc/75/99/58/395759958.db2.gz OVHNCUXMRQCGCO-TXEJJXNPSA-N 0 0 320.393 0.561 50 0 DCAARN O=C(NCCCn1cccn1)N1CCN(c2cnccn2)CC1 ZINC000044968370 395760494 /nfs/dbraw/zinc/76/04/94/395760494.db2.gz NXGQIWWYIRXKSD-UHFFFAOYSA-N 0 0 315.381 0.595 50 0 DCAARN CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cn1cccnc1=O)C2 ZINC000097766647 395760490 /nfs/dbraw/zinc/76/04/90/395760490.db2.gz DNOBSKZTELMIED-QWHCGFSZSA-N 0 0 318.377 0.103 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)NCc1cc2c(s1)CCCC2 ZINC000097915076 395760861 /nfs/dbraw/zinc/76/08/61/395760861.db2.gz QRABVKHXHCQXRM-SNVBAGLBSA-N 0 0 307.375 0.841 50 0 DCAARN COC(=O)c1ncn(C[C@@H](O)c2ccc(OC)cc2)c1CO ZINC000098211169 395762263 /nfs/dbraw/zinc/76/22/63/395762263.db2.gz XESRYOLQZXAAJZ-CYBMUJFWSA-N 0 0 306.318 0.904 50 0 DCAARN COCCn1cc(NC(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)cn1 ZINC000101534103 395764703 /nfs/dbraw/zinc/76/47/03/395764703.db2.gz NTLFERXFHWXTBG-NSHDSACASA-N 0 0 323.353 0.187 50 0 DCAARN Cc1nc2[nH]cnn2c(=O)c1CCC(=O)Nc1nccs1 ZINC000101502942 395764753 /nfs/dbraw/zinc/76/47/53/395764753.db2.gz SPHGSJGYZCOTEQ-UHFFFAOYSA-N 0 0 304.335 0.754 50 0 DCAARN Cc1cc2ncc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)c(=O)n2[n-]1 ZINC000101821392 395767085 /nfs/dbraw/zinc/76/70/85/395767085.db2.gz QSXROGKLACFVSB-NWDGAFQWSA-N 0 0 315.377 0.640 50 0 DCAARN Cc1nn(C)c2nc(C)cc(C(=O)N[C@@H]3CCCCNC3=O)c12 ZINC000047212399 395789261 /nfs/dbraw/zinc/78/92/61/395789261.db2.gz AKZMJLFHQSVIPS-GFCCVEGCSA-N 0 0 315.377 0.984 50 0 DCAARN CC[C@@H](C)[C@H](NC(=O)CN1CCC(CO)CC1)C(=O)OC ZINC000046090695 395770662 /nfs/dbraw/zinc/77/06/62/395770662.db2.gz YUNLGXRGEXROSA-RISCZKNCSA-N 0 0 300.399 0.395 50 0 DCAARN CN1C[C@H](C(=O)N2CCN(Cc3ccncc3)CC2)CC1=O ZINC000046162745 395771555 /nfs/dbraw/zinc/77/15/55/395771555.db2.gz GLXNNZBVIFMIOG-CQSZACIVSA-N 0 0 302.378 0.204 50 0 DCAARN CC(C)(C)OC(=O)NCC(=O)N1CC(F)(F)C[C@H]1C(N)=O ZINC000224688924 395858310 /nfs/dbraw/zinc/85/83/10/395858310.db2.gz QCIPQLRWQDVVQZ-ZETCQYMHSA-N 0 0 307.297 0.233 50 0 DCAARN CCOc1cc(N2CCN(c3c(N)c(C)nn3C)CC2)ncn1 ZINC000225515784 395861453 /nfs/dbraw/zinc/86/14/53/395861453.db2.gz JIWKYFOTNBSYQT-UHFFFAOYSA-N 0 0 317.397 0.826 50 0 DCAARN Cc1nc(NC(=O)N2CCN(S(C)(=O)=O)CC2)oc1C ZINC000049337795 395831118 /nfs/dbraw/zinc/83/11/18/395831118.db2.gz DHJNFEQCWHGPAE-UHFFFAOYSA-N 0 0 302.356 0.401 50 0 DCAARN CNS(=O)(=O)[C@H]1CCN(C(=O)c2c(F)ccc(F)c2F)C1 ZINC000195567233 395831908 /nfs/dbraw/zinc/83/19/08/395831908.db2.gz ROPSYMDIOBGRFA-ZETCQYMHSA-N 0 0 322.308 0.868 50 0 DCAARN CN(C)c1noc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)n1 ZINC000225434143 395859727 /nfs/dbraw/zinc/85/97/27/395859727.db2.gz KSKLOXFLQLRABE-UHFFFAOYSA-N 0 0 314.305 0.302 50 0 DCAARN Cc1ncsc1CCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000215006771 395836744 /nfs/dbraw/zinc/83/67/44/395836744.db2.gz WGESPKOPUVGGLN-UHFFFAOYSA-N 0 0 308.363 0.051 50 0 DCAARN CN1CC[C@H](N2CCN(C(=O)c3c(F)cccc3F)CC2)C1=O ZINC000116276838 395843230 /nfs/dbraw/zinc/84/32/30/395843230.db2.gz OHMSTKOOEYSJAX-ZDUSSCGKSA-N 0 0 323.343 0.953 50 0 DCAARN O=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1ccn(C(F)F)n1 ZINC000218866091 395843993 /nfs/dbraw/zinc/84/39/93/395843993.db2.gz GWJAGVGUJROJOH-QWRGUYRKSA-N 0 0 316.308 0.108 50 0 DCAARN Cc1n[nH]c(C)c1CC(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 ZINC000219613588 395846374 /nfs/dbraw/zinc/84/63/74/395846374.db2.gz PMTSLONDZQBLSI-RBOXIYTFSA-N 0 0 317.393 0.931 50 0 DCAARN O=C(Cn1ccnn1)N[C@@H]1CCOC[C@H]1OCc1ccccc1 ZINC000219944237 395847268 /nfs/dbraw/zinc/84/72/68/395847268.db2.gz MNNVFYRJFGCSFQ-HUUCEWRRSA-N 0 0 316.361 0.769 50 0 DCAARN COC(=O)N[C@H](C)C(=O)NCCn1ncc2ccccc2c1=O ZINC000220267883 395847679 /nfs/dbraw/zinc/84/76/79/395847679.db2.gz XESJYWNJVVAXGD-SNVBAGLBSA-N 0 0 318.333 0.257 50 0 DCAARN Cn1ncc(N2CCN(C(=O)Cc3cccnc3)CC2)cc1=O ZINC000220477933 395848427 /nfs/dbraw/zinc/84/84/27/395848427.db2.gz KINZLDHAOCSYJV-UHFFFAOYSA-N 0 0 313.361 0.067 50 0 DCAARN Cc1nc(CCNC(=O)C(=O)Nc2ccccc2)cc(=O)[nH]1 ZINC000220516678 395848485 /nfs/dbraw/zinc/84/84/85/395848485.db2.gz QMUVBJSOSNGDLH-UHFFFAOYSA-N 0 0 300.318 0.788 50 0 DCAARN COC[C@H](NC(=O)c1nnc2nc(C)ccn21)c1ccnn1C ZINC000220390242 395849010 /nfs/dbraw/zinc/84/90/10/395849010.db2.gz TZSOKLDPNKNROA-JTQLQIEISA-N 0 0 315.337 0.284 50 0 DCAARN Cc1cc(C[C@H](C)NC(=O)Cc2c(C)nc(C)[nH]c2=O)[nH]n1 ZINC000220610295 395849458 /nfs/dbraw/zinc/84/94/58/395849458.db2.gz GXHQUVDUJZNGOB-QMMMGPOBSA-N 0 0 303.366 0.708 50 0 DCAARN COCCn1cnnc1CCNC(=O)c1[nH]nc2ccccc21 ZINC000221305137 395850646 /nfs/dbraw/zinc/85/06/46/395850646.db2.gz GBNSWUXOVXEVRP-UHFFFAOYSA-N 0 0 314.349 0.773 50 0 DCAARN COc1ccc(C(=O)NCCc2nc(N)cc(=O)[nH]2)c(OC)n1 ZINC000222502556 395852788 /nfs/dbraw/zinc/85/27/88/395852788.db2.gz IJCWVSLKRPNZQN-UHFFFAOYSA-N 0 0 319.321 0.149 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1O)c1cnn(Cc2ccccc2)c1 ZINC000222850275 395853250 /nfs/dbraw/zinc/85/32/50/395853250.db2.gz WRLUTUUZHIAZJN-HUUCEWRRSA-N 0 0 301.346 0.811 50 0 DCAARN Cc1cc(C)n(CC(=O)N(C)Cc2noc(C3CC3)n2)c(=O)n1 ZINC000222990193 395853284 /nfs/dbraw/zinc/85/32/84/395853284.db2.gz XUCGGBOXIWMHBD-UHFFFAOYSA-N 0 0 317.349 0.779 50 0 DCAARN O=C(N[C@@H]1COCC[C@@H]1OCCO)c1cc(C(F)(F)F)n[nH]1 ZINC000222829406 395853470 /nfs/dbraw/zinc/85/34/70/395853470.db2.gz KTQPTQQSUBWZEP-BDAKNGLRSA-N 0 0 323.271 0.325 50 0 DCAARN COc1ccc2ncc(C(=O)N[C@@H]3CCOC[C@H]3O)c(O)c2c1 ZINC000223440574 395854780 /nfs/dbraw/zinc/85/47/80/395854780.db2.gz RBRSNQIBUXCZGN-ZIAGYGMSSA-N 0 0 318.329 0.416 50 0 DCAARN COc1ccc2c(c1)CCN(C(=O)CCn1nnnc1C)C2 ZINC000223527981 395855469 /nfs/dbraw/zinc/85/54/69/395855469.db2.gz NEWCBYNNYWTSHU-UHFFFAOYSA-N 0 0 301.350 0.965 50 0 DCAARN COc1ccc([C@@H](NC(=O)CN(C)CC(N)=O)C2CC2)cc1 ZINC000047496091 395794593 /nfs/dbraw/zinc/79/45/93/395794593.db2.gz OWNWMFAVQJPADK-INIZCTEOSA-N 0 0 305.378 0.680 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)NCc1ccc2c(c1)OCO2 ZINC000047575845 395795879 /nfs/dbraw/zinc/79/58/79/395795879.db2.gz BTODALMHKUWESX-GFCCVEGCSA-N 0 0 321.377 0.935 50 0 DCAARN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CCOC[C@]12CCOC2 ZINC000194387316 395795935 /nfs/dbraw/zinc/79/59/35/395795935.db2.gz GSNGSTHEXQOIAB-QGZVFWFLSA-N 0 0 316.357 0.742 50 0 DCAARN O=C([C@H]1CCC(=O)NC1)N1CCN(Cc2cccs2)CC1 ZINC000047750126 395800476 /nfs/dbraw/zinc/80/04/76/395800476.db2.gz DWDIHOZSYUKQRM-LBPRGKRZSA-N 0 0 307.419 0.919 50 0 DCAARN Cc1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC000055292989 395916005 /nfs/dbraw/zinc/91/60/05/395916005.db2.gz LKMVVSJCUWXRSX-AWEZNQCLSA-N 0 0 323.418 0.335 50 0 DCAARN CCCc1cc(C(=O)N2CCC[C@@H](C(=O)NCCCO)C2)[nH]n1 ZINC000055414166 395918938 /nfs/dbraw/zinc/91/89/38/395918938.db2.gz JXDFYIFIJCOLRY-GFCCVEGCSA-N 0 0 322.409 0.713 50 0 DCAARN CN(C)C(=O)NCC(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000244884390 395925871 /nfs/dbraw/zinc/92/58/71/395925871.db2.gz YLNSQHQTXMOPOF-JTNHKYCSSA-N 0 0 306.366 0.281 50 0 DCAARN Nc1nc(NCCCN2CCCC2=O)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244866679 395926083 /nfs/dbraw/zinc/92/60/83/395926083.db2.gz WANODILAXMEMSS-PHIMTYICSA-N 0 0 305.382 0.722 50 0 DCAARN COc1nccnc1O[C@@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000225495927 395861822 /nfs/dbraw/zinc/86/18/22/395861822.db2.gz TUFMVIDVLJYIGI-VXGBXAGGSA-N 0 0 307.350 0.892 50 0 DCAARN NC(=O)[C@]1(O)CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000225556566 395862235 /nfs/dbraw/zinc/86/22/35/395862235.db2.gz XWRNJZKUGAUGBM-HNNXBMFYSA-N 0 0 308.765 0.820 50 0 DCAARN COc1ccccc1CC(=O)N[C@@H]1CCc2n[nH]c(=O)cc2C1 ZINC000225785744 395863874 /nfs/dbraw/zinc/86/38/74/395863874.db2.gz MXFAWPJYDFLAKB-CYBMUJFWSA-N 0 0 313.357 0.995 50 0 DCAARN NC(=O)[C@@H](NC(=O)Cn1cc(C2CC2)nn1)c1ccc(F)cc1 ZINC000132557724 395927646 /nfs/dbraw/zinc/92/76/46/395927646.db2.gz PEQJMUIJUSTOGO-AWEZNQCLSA-N 0 0 317.324 0.637 50 0 DCAARN O=C(NCCNC(=O)N1CCC[C@@H](O)C1)c1ccccc1F ZINC000052562718 395865623 /nfs/dbraw/zinc/86/56/23/395865623.db2.gz VIZGBFILRAVFHT-LLVKDONJSA-N 0 0 309.341 0.722 50 0 DCAARN Cc1ccoc1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000052610899 395866550 /nfs/dbraw/zinc/86/65/50/395866550.db2.gz XZRDIFFTOVVMGA-GFCCVEGCSA-N 0 0 312.391 0.533 50 0 DCAARN CCn1ccc([N-]S(=O)(=O)c2ccc(OCC(N)=O)cc2)n1 ZINC000226744246 395867241 /nfs/dbraw/zinc/86/72/41/395867241.db2.gz PRNDHTMFWSTAEY-UHFFFAOYSA-N 0 0 324.362 0.568 50 0 DCAARN C[C@@H](C(=O)NCc1ccco1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000229534527 395874779 /nfs/dbraw/zinc/87/47/79/395874779.db2.gz FVURICPGMCLSMQ-DZGCQCFKSA-N 0 0 318.377 0.882 50 0 DCAARN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000229557108 395875338 /nfs/dbraw/zinc/87/53/38/395875338.db2.gz OABFTOLERHWVQJ-QLFBSQMISA-N 0 0 322.409 0.268 50 0 DCAARN Cc1ncc(CN(C)[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)s1 ZINC000053154135 395877660 /nfs/dbraw/zinc/87/76/60/395877660.db2.gz OZSKXULPROJVOQ-PWSUYJOCSA-N 0 0 324.450 0.996 50 0 DCAARN C[C@H](CN1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccc(F)cc1 ZINC000230310546 395880189 /nfs/dbraw/zinc/88/01/89/395880189.db2.gz HOYVCXUCIRCGPE-RISCZKNCSA-N 0 0 305.353 0.572 50 0 DCAARN Nc1cc(N2CCCn3nc([C@H](O)C4CC4)cc3C2)nc(N)n1 ZINC000230570643 395881678 /nfs/dbraw/zinc/88/16/78/395881678.db2.gz BPUJUVGUDYZLRM-CQSZACIVSA-N 0 0 315.381 0.691 50 0 DCAARN Cc1cc(Cl)ccc1CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000136219335 395945287 /nfs/dbraw/zinc/94/52/87/395945287.db2.gz WJLQBJBJZVJEPQ-ZDUSSCGKSA-N 0 0 307.781 0.791 50 0 DCAARN CNC(=O)[C@@H]1CN(CCn2ccccc2=O)c2ccccc2O1 ZINC000058231792 395951891 /nfs/dbraw/zinc/95/18/91/395951891.db2.gz NGLDPFCIOUBUQE-HNNXBMFYSA-N 0 0 313.357 0.862 50 0 DCAARN C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCCO1 ZINC000248266913 395984583 /nfs/dbraw/zinc/98/45/83/395984583.db2.gz TVFTZUVZMWGIMY-SDDRHHMPSA-N 0 0 304.412 0.342 50 0 DCAARN CCCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)n(C)c1=O ZINC000064966947 395990072 /nfs/dbraw/zinc/99/00/72/395990072.db2.gz ICMVELZQYCEHCZ-UHFFFAOYSA-N 0 0 320.324 0.600 50 0 DCAARN COCCNC(=O)N1CCC(Nc2nccnc2OC)CC1 ZINC000065268535 395992072 /nfs/dbraw/zinc/99/20/72/395992072.db2.gz ITADSVOUFNVBAN-UHFFFAOYSA-N 0 0 309.370 0.718 50 0 DCAARN COc1ccnc(N2CCN(C(=O)C3CCOCC3)CC2)n1 ZINC000065625412 395996038 /nfs/dbraw/zinc/99/60/38/395996038.db2.gz XTFJVLNKQKQAFH-UHFFFAOYSA-N 0 0 306.366 0.560 50 0 DCAARN COC(=O)Cc1cccc(NC(=O)N2CCC[C@@H](C(N)=O)C2)n1 ZINC000252499263 396021971 /nfs/dbraw/zinc/02/19/71/396021971.db2.gz RYAVMAXZMGAGDC-SNVBAGLBSA-N 0 0 320.349 0.526 50 0 DCAARN CSCC[C@@H](CO)NC(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000252508023 396022520 /nfs/dbraw/zinc/02/25/20/396022520.db2.gz XAPDIKUTUXHZRC-OLZOCXBDSA-N 0 0 324.450 0.923 50 0 DCAARN CCS(=O)(=O)N1C[C@@H](COC)[C@H](c2nc(C3CC3)no2)C1 ZINC000253396016 396027219 /nfs/dbraw/zinc/02/72/19/396027219.db2.gz ASXIGCGJGWUWFE-WDEREUQCSA-N 0 0 315.395 0.959 50 0 DCAARN COC[C@@H]1CN(S(=O)(=O)c2c[nH]cn2)C[C@H]1c1ccccn1 ZINC000253411722 396027237 /nfs/dbraw/zinc/02/72/37/396027237.db2.gz OZRUFLWIRRTTSK-NWDGAFQWSA-N 0 0 322.390 0.855 50 0 DCAARN CCNC(=O)CN1CCCN(C(=O)c2ncccc2CC)CC1 ZINC000253421334 396027953 /nfs/dbraw/zinc/02/79/53/396027953.db2.gz KILJUYDHEBJLEW-UHFFFAOYSA-N 0 0 318.421 0.928 50 0 DCAARN CO[C@H]1C[C@H](C(=O)NC[C@@H]2CC[C@@H](C)C2)N(S(C)(=O)=O)C1 ZINC000253430533 396028820 /nfs/dbraw/zinc/02/88/20/396028820.db2.gz MNVLNCZVUVXEBD-FVCCEPFGSA-N 0 0 318.439 0.588 50 0 DCAARN Cc1nc(CN(C)C(=O)c2ccc(Cn3cnnn3)cc2)no1 ZINC000067643777 396029946 /nfs/dbraw/zinc/02/99/46/396029946.db2.gz YMNPCQSIXZCUCZ-UHFFFAOYSA-N 0 0 313.321 0.685 50 0 DCAARN O=C(c1cncc(N2CCC(O)(CO)CC2)n1)N1CCCC1 ZINC000067643259 396030228 /nfs/dbraw/zinc/03/02/28/396030228.db2.gz ATWJQGFQQKEYMQ-UHFFFAOYSA-N 0 0 306.366 0.036 50 0 DCAARN Cc1nccn1CCN(C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000253536506 396030730 /nfs/dbraw/zinc/03/07/30/396030730.db2.gz HGUZYWWVIZLNQF-UHFFFAOYSA-N 0 0 301.354 0.706 50 0 DCAARN CNC(=O)CN(C)C(=O)[C@@H]1CCCCc2nnc(C(C)C)n21 ZINC000257174666 396033977 /nfs/dbraw/zinc/03/39/77/396033977.db2.gz JIVXHAYBBVFCHE-NSHDSACASA-N 0 0 307.398 0.873 50 0 DCAARN CN(C)S(=O)(=O)CCNC(=O)c1cccc(-c2ncc[nH]2)c1 ZINC000067821108 396034927 /nfs/dbraw/zinc/03/49/27/396034927.db2.gz JORFHRLQLDFSNB-UHFFFAOYSA-N 0 0 322.390 0.698 50 0 DCAARN COc1ccc(C2(C(=O)N3CC[N@H+](C)[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000067840922 396035257 /nfs/dbraw/zinc/03/52/57/396035257.db2.gz PUJAGAYLVGUWDG-CQSZACIVSA-N 0 0 318.373 0.954 50 0 DCAARN COCCN1C[C@H](C(=O)Nc2cnc3n2CCCC3)CC1=O ZINC000067840282 396035633 /nfs/dbraw/zinc/03/56/33/396035633.db2.gz CVBOOYHWESRRTH-LLVKDONJSA-N 0 0 306.366 0.653 50 0 DCAARN COC[C@@H]1CN(C(=O)c2cccc(OC)c2OC)C[C@H]1C(N)=O ZINC000257194456 396036244 /nfs/dbraw/zinc/03/62/44/396036244.db2.gz UCCOIRMHKADTJM-CMPLNLGQSA-N 0 0 322.361 0.524 50 0 DCAARN CN(CCO)C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000154494439 396038409 /nfs/dbraw/zinc/03/84/09/396038409.db2.gz OUAZIDWYUJXPLX-UHFFFAOYSA-N 0 0 319.130 0.977 50 0 DCAARN Cc1ccc2[nH]c(CCNC(=O)Cn3nnnc3N)nc2c1C ZINC000067947825 396039624 /nfs/dbraw/zinc/03/96/24/396039624.db2.gz UVABSDJLLZHOLK-UHFFFAOYSA-N 0 0 314.353 0.107 50 0 DCAARN CCc1c(C)cc(C(=O)N2CCC(O)(CO)CC2)c(=O)n1C ZINC000067967251 396040606 /nfs/dbraw/zinc/04/06/06/396040606.db2.gz AJEAFKBCSNEQRA-UHFFFAOYSA-N 0 0 308.378 0.216 50 0 DCAARN Cc1nc(CN2CCC[C@H](N(C)[C@H]3C[C@@H](C)OC3=O)C2)no1 ZINC000257365646 396046820 /nfs/dbraw/zinc/04/68/20/396046820.db2.gz CYKUPQXYNMCGJM-WXHSDQCUSA-N 0 0 308.382 0.978 50 0 DCAARN O=C(CNC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)NCCO ZINC000252478649 396020220 /nfs/dbraw/zinc/02/02/20/396020220.db2.gz ARDFNJFKHLQEQE-NSHDSACASA-N 0 0 322.258 0.941 50 0 DCAARN Cc1noc(CNC(=O)c2ccnc(O[C@H]3CCOC3)c2)n1 ZINC000252491476 396020638 /nfs/dbraw/zinc/02/06/38/396020638.db2.gz LNDSEULUHIXMMI-NSHDSACASA-N 0 0 304.306 0.871 50 0 DCAARN COCCNS(=O)(=O)c1ccc2c(c1)O[C@@H](C)C(=O)N2 ZINC000252485688 396020929 /nfs/dbraw/zinc/02/09/29/396020929.db2.gz HBRHSLGGBZUBRN-QMMMGPOBSA-N 0 0 300.336 0.331 50 0 DCAARN C[C@@H](NC(=O)CNC(=O)c1cccs1)c1nnnn1C1CC1 ZINC000252485059 396020974 /nfs/dbraw/zinc/02/09/74/396020974.db2.gz GNBDXCLRSRFDPQ-MRVPVSSYSA-N 0 0 320.378 0.677 50 0 DCAARN CCc1nnc([C@@H](C)N2CCN(CC(=O)N3CCCC3)CC2)o1 ZINC000069702132 396087542 /nfs/dbraw/zinc/08/75/42/396087542.db2.gz OAZZTZJMTYLNRI-CYBMUJFWSA-N 0 0 321.425 0.933 50 0 DCAARN Cc1nnc(CN2CCN(C[C@H](O)c3ccccc3)CC2)n1C ZINC000069739545 396088873 /nfs/dbraw/zinc/08/88/73/396088873.db2.gz CTPNPSGLUXJPHX-INIZCTEOSA-N 0 0 315.421 0.975 50 0 DCAARN O=C(CN1CCN(CCO)CC1)N[C@H]1CCOc2ccccc21 ZINC000069772021 396089329 /nfs/dbraw/zinc/08/93/29/396089329.db2.gz GTXZGTDEYQRSKE-HNNXBMFYSA-N 0 0 319.405 0.236 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000069744595 396089540 /nfs/dbraw/zinc/08/95/40/396089540.db2.gz ASUNTQQOYKXAKK-GFCCVEGCSA-N 0 0 315.801 0.823 50 0 DCAARN CC(C)CCN1CC[C@H](N2CCN(S(C)(=O)=O)CC2)C1=O ZINC000169757080 396090725 /nfs/dbraw/zinc/09/07/25/396090725.db2.gz QRVQAHNXPQHPHB-ZDUSSCGKSA-N 0 0 317.455 0.211 50 0 DCAARN CCN1CCN(c2nc3c(s2)CN(C(=O)COC)CC3)CC1 ZINC000169751811 396090804 /nfs/dbraw/zinc/09/08/04/396090804.db2.gz DCBXEZIHHLGJGI-UHFFFAOYSA-N 0 0 324.450 0.816 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)c2ccccc2F)CC1 ZINC000069814819 396091192 /nfs/dbraw/zinc/09/11/92/396091192.db2.gz AOCRKVKLKYPVRS-ZDUSSCGKSA-N 0 0 310.369 0.981 50 0 DCAARN CC[C@]1(C(=O)NCCCN2CCCC2=O)CCCCC(=O)N1 ZINC000169784846 396092646 /nfs/dbraw/zinc/09/26/46/396092646.db2.gz VDACWEQPHCNXIP-MRXNPFEDSA-N 0 0 309.410 0.954 50 0 DCAARN C[C@@H]1C[C@H](O)CN1c1ccc(S(=O)(=O)NCC2CC2)cn1 ZINC000170088637 396094394 /nfs/dbraw/zinc/09/43/94/396094394.db2.gz DVKPREYTPPPQLT-PWSUYJOCSA-N 0 0 311.407 0.729 50 0 DCAARN CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](C)O ZINC000170624211 396095901 /nfs/dbraw/zinc/09/59/01/396095901.db2.gz HCYXTKSGRYCTGU-VIFPVBQESA-N 0 0 309.370 0.406 50 0 DCAARN CCc1ncc2c(n1)CN(C[C@@H](O)COC[C@@H]1CCCO1)CC2 ZINC000069951852 396096307 /nfs/dbraw/zinc/09/63/07/396096307.db2.gz LLQWGUATSBXYLA-CABCVRRESA-N 0 0 321.421 0.954 50 0 DCAARN C[C@@H](c1cn(-c2ccccc2)nn1)S(=O)(=O)c1ncnn1C ZINC000170610962 396096442 /nfs/dbraw/zinc/09/64/42/396096442.db2.gz SOQBFSSOWFABIL-JTQLQIEISA-N 0 0 318.362 0.931 50 0 DCAARN COC(=O)[C@H](C)NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000170648296 396096879 /nfs/dbraw/zinc/09/68/79/396096879.db2.gz BECAYWOYQKYRBV-BHDSKKPTSA-N 0 0 317.407 0.863 50 0 DCAARN O=C(NCc1ccco1)N1CCN(C[C@H]2COCCO2)CC1 ZINC000069971629 396097238 /nfs/dbraw/zinc/09/72/38/396097238.db2.gz ZPSWCXHFSIAABX-AWEZNQCLSA-N 0 0 309.366 0.522 50 0 DCAARN COc1ccc(CCNC(=O)Cn2cncc(C)c2=O)cc1 ZINC000070636868 396102595 /nfs/dbraw/zinc/10/25/95/396102595.db2.gz LWJGLHRDDVHGKA-UHFFFAOYSA-N 0 0 301.346 0.919 50 0 DCAARN COC[C@H](C)NC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000071185334 396111131 /nfs/dbraw/zinc/11/11/31/396111131.db2.gz NCFKIIAREKGSHV-LBPRGKRZSA-N 0 0 321.377 0.895 50 0 DCAARN CCCCN(CC(N)=O)C(=O)c1cnc2ccc(C)cn2c1=O ZINC000071795587 396114943 /nfs/dbraw/zinc/11/49/43/396114943.db2.gz DQNZUWACLCPUFR-UHFFFAOYSA-N 0 0 316.361 0.731 50 0 DCAARN O=C(Cn1cccn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000071863663 396119360 /nfs/dbraw/zinc/11/93/60/396119360.db2.gz XOILYZJAMKCHOI-MRXNPFEDSA-N 0 0 314.389 0.761 50 0 DCAARN Cn1cc(CN2CCCN(C(=O)CN3CCCC3=O)CC2)cn1 ZINC000071864684 396119801 /nfs/dbraw/zinc/11/98/01/396119801.db2.gz VYQHIENWSQGINE-UHFFFAOYSA-N 0 0 319.409 0.077 50 0 DCAARN Cc1cnn(C[C@H]2CCCN2C(=O)[C@H](C)N2CCOCC2)c1 ZINC000071869971 396120406 /nfs/dbraw/zinc/12/04/06/396120406.db2.gz OAUYRAHDQHKPNP-LSDHHAIUSA-N 0 0 306.410 0.903 50 0 DCAARN Cn1ccnc1CN1CCCN(C(=O)c2ncccc2O)CC1 ZINC000071871694 396120512 /nfs/dbraw/zinc/12/05/12/396120512.db2.gz LVEXRMXZYVYTLS-UHFFFAOYSA-N 0 0 315.377 0.869 50 0 DCAARN O=C(CCN1CCO[C@@H](Cn2cncn2)C1)NC1CCCC1 ZINC000071876604 396121888 /nfs/dbraw/zinc/12/18/88/396121888.db2.gz AZMZPZMPLKPQPZ-CQSZACIVSA-N 0 0 307.398 0.428 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000071881949 396122263 /nfs/dbraw/zinc/12/22/63/396122263.db2.gz YDIIWEPDQZPVLI-OAHLLOKOSA-N 0 0 310.369 0.981 50 0 DCAARN O=C(COC(=O)[C@@H]1C[C@@H]1c1ccccc1F)N1CCNC(=O)C1 ZINC000071881751 396122619 /nfs/dbraw/zinc/12/26/19/396122619.db2.gz JKSVVUXSAVAPIM-VXGBXAGGSA-N 0 0 320.320 0.431 50 0 DCAARN C[C@H](OC(=O)C[C@](C)(O)C(F)(F)F)C(=O)N1CCOCC1 ZINC000071916807 396125346 /nfs/dbraw/zinc/12/53/46/396125346.db2.gz AZOJXLOGQRJYGC-KWQFWETISA-N 0 0 313.272 0.480 50 0 DCAARN C[C@@H](C(=O)N1CCCN(Cc2nccn2C)CC1)n1cccn1 ZINC000072279612 396128637 /nfs/dbraw/zinc/12/86/37/396128637.db2.gz HMPXXHZKZKQGLO-AWEZNQCLSA-N 0 0 316.409 0.912 50 0 DCAARN CNC(=O)[C@@H](C)CN(C)C(=O)CN1C(=O)COc2ccccc21 ZINC000072311395 396130938 /nfs/dbraw/zinc/13/09/38/396130938.db2.gz LMINQPRXUVUMEO-NSHDSACASA-N 0 0 319.361 0.253 50 0 DCAARN NC(=O)[C@H](c1ccc(F)cc1)N1CCC(N2CCNC2=O)CC1 ZINC000069349915 396075750 /nfs/dbraw/zinc/07/57/50/396075750.db2.gz HCTBPNDHQACWBZ-AWEZNQCLSA-N 0 0 320.368 0.842 50 0 DCAARN O=C(CN1CCO[C@H](Cn2cccn2)C1)Nc1cccnc1 ZINC000069376784 396076696 /nfs/dbraw/zinc/07/66/96/396076696.db2.gz FELXAFJLZFMSCY-AWEZNQCLSA-N 0 0 301.350 0.618 50 0 DCAARN CCc1n[nH]cc1C(=O)N1CCN(c2nccc(OC)n2)CC1 ZINC000069389898 396077428 /nfs/dbraw/zinc/07/74/28/396077428.db2.gz LINKGRZHIVZBHK-UHFFFAOYSA-N 0 0 316.365 0.733 50 0 DCAARN O=C(CN1CCO[C@H](Cn2cccn2)C1)NC(C1CC1)C1CC1 ZINC000069392517 396077587 /nfs/dbraw/zinc/07/75/87/396077587.db2.gz QYSKVVIPRFUHNO-HNNXBMFYSA-N 0 0 318.421 0.889 50 0 DCAARN O=C(CN1CCO[C@@H](Cn2cccn2)C1)NCc1cccs1 ZINC000069392551 396077646 /nfs/dbraw/zinc/07/76/46/396077646.db2.gz KKPKSXNYPMDILA-CYBMUJFWSA-N 0 0 320.418 0.962 50 0 DCAARN CCn1ccnc1CN1CCN(CCn2ccccc2=O)CC1 ZINC000069454715 396078891 /nfs/dbraw/zinc/07/88/91/396078891.db2.gz PAKNXWZBHYFNAJ-UHFFFAOYSA-N 0 0 315.421 0.883 50 0 DCAARN Cc1ncc2c(n1)CN([C@H](C)C(=O)NC[C@@H]1CCCO1)CC2 ZINC000069490420 396080029 /nfs/dbraw/zinc/08/00/29/396080029.db2.gz STPNDZCFACHWCD-RISCZKNCSA-N 0 0 304.394 0.827 50 0 DCAARN C[C@@H]1CN(C(=O)CN2CCCC[C@@H]2Cn2cncn2)CCO1 ZINC000069493042 396080048 /nfs/dbraw/zinc/08/00/48/396080048.db2.gz NOGBPFZHDFPSPO-ZIAGYGMSSA-N 0 0 307.398 0.380 50 0 DCAARN CC[C@H]1CN(C(=O)CN2CCC(N3CCNC3=O)CC2)CCO1 ZINC000069630993 396085311 /nfs/dbraw/zinc/08/53/11/396085311.db2.gz LYHDVMZQBGASPF-AWEZNQCLSA-N 0 0 324.425 0.113 50 0 DCAARN C[C@@H]1CN(C(=O)CN(C)Cc2nnc(C3CC3)n2C)C[C@H](C)O1 ZINC000075008811 396174052 /nfs/dbraw/zinc/17/40/52/396174052.db2.gz CBEHLTPSXZWENY-TXEJJXNPSA-N 0 0 321.425 0.760 50 0 DCAARN NC(=O)CO[C@H]1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000075094054 396176075 /nfs/dbraw/zinc/17/60/75/396176075.db2.gz IKCVHGWQQCZYQR-GOEBONIOSA-N 0 0 317.389 0.583 50 0 DCAARN Cc1cc(C)c(CNC(=O)N[C@@H]2CCCCNC2=O)c(=O)[nH]1 ZINC000075117907 396176405 /nfs/dbraw/zinc/17/64/05/396176405.db2.gz RGKFSMCQMSTXLX-GFCCVEGCSA-N 0 0 306.366 0.460 50 0 DCAARN CC(=O)N1CCCC[C@H]1CC(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000075603018 396182728 /nfs/dbraw/zinc/18/27/28/396182728.db2.gz VIKVLTMTGDSQFW-HIFRSBDPSA-N 0 0 311.426 0.303 50 0 DCAARN Cc1cc(C)n2cc(CN3CCc4nn(C)c(=O)cc4C3)nc2n1 ZINC000076064762 396195824 /nfs/dbraw/zinc/19/58/24/396195824.db2.gz KJJNZVQQOPFXLQ-UHFFFAOYSA-N 0 0 324.388 0.998 50 0 DCAARN Cn1nc2c(cc1=O)CN(CC(=O)N1CCc3ccccc31)CC2 ZINC000076064695 396195909 /nfs/dbraw/zinc/19/59/09/396195909.db2.gz UXMLZVFAHXAHIA-UHFFFAOYSA-N 0 0 324.384 0.728 50 0 DCAARN COC(=O)N1CCN(C(=O)c2cccc3c2OCC(=O)N3)CC1 ZINC000078499328 396246440 /nfs/dbraw/zinc/24/64/40/396246440.db2.gz CDONHZVXWKCPFA-UHFFFAOYSA-N 0 0 319.317 0.542 50 0 DCAARN CC(C)c1nnc([C@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)[nH]1 ZINC000078888989 396256142 /nfs/dbraw/zinc/25/61/42/396256142.db2.gz IYAMPXPNEZWRGJ-NXEZZACHSA-N 0 0 307.354 0.107 50 0 DCAARN CCCc1nnc([C@H]2CN(C(=O)c3cnccn3)CCO2)[nH]1 ZINC000078889963 396256356 /nfs/dbraw/zinc/25/63/56/396256356.db2.gz LHCONJGGMZRCLH-LLVKDONJSA-N 0 0 302.338 0.761 50 0 DCAARN C[C@H]1C[C@H](C)CN(C(=O)CN(C)C2CCS(=O)(=O)CC2)C1 ZINC000079470056 396264982 /nfs/dbraw/zinc/26/49/82/396264982.db2.gz KJNSYVNGJSSWOS-STQMWFEESA-N 0 0 316.467 1.000 50 0 DCAARN O=C(CN1C(=O)CC2(CCCC2)C1=O)NCC1CCOCC1 ZINC000079491272 396266005 /nfs/dbraw/zinc/26/60/05/396266005.db2.gz BVFGCORTPDYBIA-UHFFFAOYSA-N 0 0 308.378 0.849 50 0 DCAARN O=C(NCCN1CCS(=O)(=O)CC1)c1ccc2[nH]cnc2c1 ZINC000077171486 396213998 /nfs/dbraw/zinc/21/39/98/396213998.db2.gz XBKUFFIVKVBQNU-UHFFFAOYSA-N 0 0 322.390 0.023 50 0 DCAARN Cc1ccc2oc(=O)n(CC(=O)N3CCOC[C@@H](O)C3)c2c1 ZINC000077375948 396220225 /nfs/dbraw/zinc/22/02/25/396220225.db2.gz MPRXRGBRWKHDER-NSHDSACASA-N 0 0 306.318 0.123 50 0 DCAARN CCOC(=O)C[C@@H]1CCCCN1C(=O)Cn1cccnc1=O ZINC000077423128 396222499 /nfs/dbraw/zinc/22/24/99/396222499.db2.gz ZPLXQDNCOCWUCH-LBPRGKRZSA-N 0 0 307.350 0.578 50 0 DCAARN Cc1nc(N2CCCCC2)ncc1C(=O)N1CCOC[C@H](O)C1 ZINC000077469944 396223379 /nfs/dbraw/zinc/22/33/79/396223379.db2.gz QDSMXTCAXYVXNQ-CYBMUJFWSA-N 0 0 320.393 0.609 50 0 DCAARN O=C(CCn1c(CO)nc2ccccc21)N1CCOC[C@@H](O)C1 ZINC000077489996 396224179 /nfs/dbraw/zinc/22/41/79/396224179.db2.gz FCDFNYMHJGHXKF-LBPRGKRZSA-N 0 0 319.361 0.138 50 0 DCAARN Cc1cnn(CC(=O)NC[C@@H](O)COc2ccc(F)cc2)c1 ZINC000077613454 396227141 /nfs/dbraw/zinc/22/71/41/396227141.db2.gz YELRLOVFNZDYGD-CYBMUJFWSA-N 0 0 307.325 0.887 50 0 DCAARN O=C(NCc1ccc(=O)[nH]c1)[C@@H]1COCCN1CC1CCC1 ZINC000185683684 396333421 /nfs/dbraw/zinc/33/34/21/396333421.db2.gz NZRKSEWRVFGYBT-AWEZNQCLSA-N 0 0 305.378 0.904 50 0 DCAARN CN(C)S(=O)(=O)CCN1CCN(Cc2ccco2)CC1 ZINC000285848975 396358318 /nfs/dbraw/zinc/35/83/18/396358318.db2.gz CSTHOMJNBPASBG-UHFFFAOYSA-N 0 0 301.412 0.289 50 0 DCAARN C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(C2CC2)c2ccccc21 ZINC000187537872 396371143 /nfs/dbraw/zinc/37/11/43/396371143.db2.gz HGLAADYFWPOOJQ-LLVKDONJSA-N 0 0 323.418 0.940 50 0 DCAARN Cn1nccc1[C@H]1[C@H](NCC(=O)N2CCC2)CC(=O)N1C1CC1 ZINC000285139096 396348457 /nfs/dbraw/zinc/34/84/57/396348457.db2.gz OOCLFESKEYCYPU-MLGOLLRUSA-N 0 0 317.393 0.046 50 0 DCAARN Nc1cc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)ccn1 ZINC000193407790 396450821 /nfs/dbraw/zinc/45/08/21/396450821.db2.gz ZLDNMMDHQKLBOO-ZDUSSCGKSA-N 0 0 310.423 0.664 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)CCn3cnnn3)nc2c1 ZINC000584884977 396632326 /nfs/dbraw/zinc/63/23/26/396632326.db2.gz YAZYUFMTXQVCLM-UHFFFAOYSA-N 0 0 301.310 0.265 50 0 DCAARN O=S(=O)(N1CCCC1)N1CCN([C@@H]2CCSC2)CC1 ZINC000584888882 396633029 /nfs/dbraw/zinc/63/30/29/396633029.db2.gz HPRLGKZDOWFOKG-GFCCVEGCSA-N 0 0 305.469 0.450 50 0 DCAARN CNC(=O)c1ccc(CNC(=O)N[C@@H](CC(C)C)C(N)=O)o1 ZINC000584890848 396634224 /nfs/dbraw/zinc/63/42/24/396634224.db2.gz IDZYGKNRKHHZQU-JTQLQIEISA-N 0 0 310.354 0.338 50 0 DCAARN O=C(NCc1cnc2c(c1)CCC2)N1CCS(=O)(=O)CC1 ZINC000584895616 396635035 /nfs/dbraw/zinc/63/50/35/396635035.db2.gz BRSYUBONOVTZNH-UHFFFAOYSA-N 0 0 309.391 0.510 50 0 DCAARN COCCc1noc([C@@H](C)NC(=O)Cn2ccccc2=O)n1 ZINC000584898382 396635530 /nfs/dbraw/zinc/63/55/30/396635530.db2.gz SYDXEIUMTUQXFN-SNVBAGLBSA-N 0 0 306.322 0.298 50 0 DCAARN CC1(C)SC[C@H](C(=O)NCc2cc(C3CC3)n[nH]2)NC1=O ZINC000584897701 396635835 /nfs/dbraw/zinc/63/58/35/396635835.db2.gz KTEUCYBWRQKCDX-LLVKDONJSA-N 0 0 308.407 0.914 50 0 DCAARN COCCc1noc(CN(C)C(=O)c2nn(C)cc2Cl)n1 ZINC000584901115 396636225 /nfs/dbraw/zinc/63/62/25/396636225.db2.gz LRIJDMOYJNZBMF-UHFFFAOYSA-N 0 0 313.745 0.918 50 0 DCAARN CC(C)O[C@H]1CN(C(=O)CCCN2CCOCC2)C[C@@H]1O ZINC000584901334 396637331 /nfs/dbraw/zinc/63/73/31/396637331.db2.gz XSQYLDYCYXHUKK-KBPBESRZSA-N 0 0 300.399 0.096 50 0 DCAARN Cc1cc(C)c(CNC(=O)N2CCO[C@H](C(=O)N(C)C)C2)cn1 ZINC000584902786 396637395 /nfs/dbraw/zinc/63/73/95/396637395.db2.gz SVBOFPDIYXQTSZ-AWEZNQCLSA-N 0 0 320.393 0.697 50 0 DCAARN C[C@@H]1CN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)C[C@H]1C(N)=O ZINC000585134242 396640891 /nfs/dbraw/zinc/64/08/91/396640891.db2.gz JOSYNBOJRPAQNJ-QYNIQEEDSA-N 0 0 317.600 0.687 50 0 DCAARN COCC(=O)NC[C@H](NC(=O)COC)[C@H](C)c1ccccc1 ZINC000564472928 396838845 /nfs/dbraw/zinc/83/88/45/396838845.db2.gz QLMCMWGYMFOIPC-OCCSQVGLSA-N 0 0 308.378 0.684 50 0 DCAARN Cc1cc(OC2CN(C(=O)c3cscn3)C2)n2ncnc2n1 ZINC000618255286 396942351 /nfs/dbraw/zinc/94/23/51/396942351.db2.gz AOVBAHDFZYWMFF-UHFFFAOYSA-N 0 0 316.346 0.793 50 0 DCAARN COc1cc(=O)n(C)cc1C(=O)NCCn1nc(C)cc1C ZINC000390825953 397301870 /nfs/dbraw/zinc/30/18/70/397301870.db2.gz SYQSWWSNVZESRS-UHFFFAOYSA-N 0 0 304.350 0.637 50 0 DCAARN [NH3+]CCN(Cc1ccccc1)S(=O)(=O)[N-]CC(F)(F)F ZINC000125907405 158260418 /nfs/dbraw/zinc/26/04/18/158260418.db2.gz LHVZROWKTLVANI-UHFFFAOYSA-N 0 0 311.329 0.844 50 0 DCAARN C[C@H](NS(=O)(=O)c1cnnn1C)c1ccc(Cl)cn1 ZINC000329299130 159081151 /nfs/dbraw/zinc/08/11/51/159081151.db2.gz URYBQCCJQNLQAW-ZETCQYMHSA-N 0 0 301.759 0.903 50 0 DCAARN CS(=O)(=O)C1(C(=O)N2CC[C@H](OCc3ccncc3)C2)CC1 ZINC000329646428 159109465 /nfs/dbraw/zinc/10/94/65/159109465.db2.gz BABPKFLLZIHCEX-ZDUSSCGKSA-N 0 0 324.402 0.776 50 0 DCAARN CC(C)N[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000019796868 415152899 /nfs/dbraw/zinc/15/28/99/415152899.db2.gz SXFJTQVRZHWHDC-STQMWFEESA-N 0 0 317.432 0.624 50 0 DCAARN CN1CCN(C(=O)CCCn2nnc3ccccc3c2=O)CC1 ZINC000020547793 415153346 /nfs/dbraw/zinc/15/33/46/415153346.db2.gz WEJUHJXYBGOALD-UHFFFAOYSA-N 0 0 315.377 0.346 50 0 DCAARN COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1cccnc1 ZINC000018266155 415155096 /nfs/dbraw/zinc/15/50/96/415155096.db2.gz NSCYRQTWDJXZNG-LLVKDONJSA-N 0 0 313.313 0.946 50 0 DCAARN Cn1nnnc1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000000314500 415125758 /nfs/dbraw/zinc/12/57/58/415125758.db2.gz CCWZDTFOBDQPAZ-UHFFFAOYSA-N 0 0 318.406 0.651 50 0 DCAARN C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC(=O)NC1CC1 ZINC000006989979 415137677 /nfs/dbraw/zinc/13/76/77/415137677.db2.gz HZXCEUJQHKSVMN-VIFPVBQESA-N 0 0 323.780 0.853 50 0 DCAARN CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)N2CCNC2=O)n1 ZINC000007062425 415137880 /nfs/dbraw/zinc/13/78/80/415137880.db2.gz ISAJYYBEIWEHRE-QMMMGPOBSA-N 0 0 310.379 0.755 50 0 DCAARN CCCN(C(=O)CSc1nc[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000007778146 415139852 /nfs/dbraw/zinc/13/98/52/415139852.db2.gz AMAWCLRXLPEJCP-SECBINFHSA-N 0 0 318.424 0.323 50 0 DCAARN C[C@H](OC(=O)CCc1nc(=O)c2ccccc2n1C)C(N)=O ZINC000007784686 415142437 /nfs/dbraw/zinc/14/24/37/415142437.db2.gz KLQPITAVVMPDSI-VIFPVBQESA-N 0 0 303.318 0.283 50 0 DCAARN NC(=O)NCCCC(=O)OCC(=O)c1ccc2c(c1)OCCO2 ZINC000007813978 415144854 /nfs/dbraw/zinc/14/48/54/415144854.db2.gz QQLADBPAPLJOJH-UHFFFAOYSA-N 0 0 322.317 0.632 50 0 DCAARN COC(=O)[C@@H](C)Sc1c(C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000010216492 415146395 /nfs/dbraw/zinc/14/63/95/415146395.db2.gz SXFBYSPMUVSHRQ-MRVPVSSYSA-N 0 0 323.374 0.594 50 0 DCAARN Cc1ccc(-c2n[n-]c(NCCN3CC[NH2+]CC3)nc2=O)cc1 ZINC000027299497 415167331 /nfs/dbraw/zinc/16/73/31/415167331.db2.gz GTSVAXWNDPXMHI-UHFFFAOYSA-N 0 0 314.393 0.457 50 0 DCAARN CC(C)Nc1nc(NC(C)C)nc(N(C#N)CC(=O)N(C)C)n1 ZINC000026951738 415170274 /nfs/dbraw/zinc/17/02/74/415170274.db2.gz DKSNMSSSQXZRSD-UHFFFAOYSA-N 0 0 320.401 0.888 50 0 DCAARN CN(C)c1nc(N)nc(CN(C)Cc2ccc3c(c2)OCO3)n1 ZINC000027364752 415172426 /nfs/dbraw/zinc/17/24/26/415172426.db2.gz AQHGZNBBLVPQSN-UHFFFAOYSA-N 0 0 316.365 0.881 50 0 DCAARN C[C@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)[C@H]1CCCO1 ZINC000027891911 415172482 /nfs/dbraw/zinc/17/24/82/415172482.db2.gz DSLKDYUAQQDANK-CMPLNLGQSA-N 0 0 319.365 0.204 50 0 DCAARN CCNC(=O)[C@H]1C[C@@H](c2ccc(F)cc2)NS(=O)(=O)N1C ZINC000040474709 415197854 /nfs/dbraw/zinc/19/78/54/415197854.db2.gz QCMXKPCKIDVAHK-NWDGAFQWSA-N 0 0 315.370 0.541 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)Nc2ccc(-n3cncn3)nc2)C1 ZINC000048131603 415283951 /nfs/dbraw/zinc/28/39/51/415283951.db2.gz CONIEWGBSMNUMP-SECBINFHSA-N 0 0 301.310 0.001 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@H]1COc2ccccc2C1 ZINC000044907999 415233083 /nfs/dbraw/zinc/23/30/83/415233083.db2.gz ZHELTMDUAVAICM-WCQYABFASA-N 0 0 309.387 0.789 50 0 DCAARN Cc1ccn2cc(C(=O)NCCCN(C)S(C)(=O)=O)nc2c1 ZINC000044919130 415235608 /nfs/dbraw/zinc/23/56/08/415235608.db2.gz KZONOMFAKIMKDO-UHFFFAOYSA-N 0 0 324.406 0.654 50 0 DCAARN C[C@H](C(=O)NCc1ccc(N2CCCC2)nc1)S(C)(=O)=O ZINC000044936831 415236016 /nfs/dbraw/zinc/23/60/16/415236016.db2.gz QPCXRRWIGAVGBJ-LLVKDONJSA-N 0 0 311.407 0.731 50 0 DCAARN CC(C)N(C)S(=O)(=O)N1CCN(Cc2ccco2)CC1 ZINC000044937326 415236681 /nfs/dbraw/zinc/23/66/81/415236681.db2.gz SKCYKZCYZFLLTR-UHFFFAOYSA-N 0 0 301.412 0.982 50 0 DCAARN C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)N1CCc2ccccc21 ZINC000044952183 415239100 /nfs/dbraw/zinc/23/91/00/415239100.db2.gz SBHIWGXQICCJPH-VXGBXAGGSA-N 0 0 310.419 0.987 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2nnn(-c3cccs3)c2=O)[C@H](C)CO1 ZINC000045525249 415247831 /nfs/dbraw/zinc/24/78/31/415247831.db2.gz OIKGQVBBEHXMTR-NXEZZACHSA-N 0 0 323.378 0.126 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000045744026 415250496 /nfs/dbraw/zinc/25/04/96/415250496.db2.gz YGSSXLFQHMRCOP-NSHDSACASA-N 0 0 313.427 0.948 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000046942131 415264418 /nfs/dbraw/zinc/26/44/18/415264418.db2.gz WJIRPQBDOGGAKM-JTQLQIEISA-N 0 0 321.333 0.311 50 0 DCAARN C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(CC(N)=O)C1=O ZINC000047360489 415272020 /nfs/dbraw/zinc/27/20/20/415272020.db2.gz NIDDVQPYJVTKDB-LBPRGKRZSA-N 0 0 315.251 0.958 50 0 DCAARN CCCCNC(=O)[C@@H](C)S(=O)(=O)c1nnc2ccccn21 ZINC000047656684 415273674 /nfs/dbraw/zinc/27/36/74/415273674.db2.gz KOVNEIBJXWCIBO-SNVBAGLBSA-N 0 0 310.379 0.808 50 0 DCAARN CN(Cc1ccncc1)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000047632309 415274383 /nfs/dbraw/zinc/27/43/83/415274383.db2.gz GWVOVRSWOSNQQJ-UHFFFAOYSA-N 0 0 311.407 0.712 50 0 DCAARN Cc1ccc(CC(=O)N2CCC3(CC2)NC(=O)NC3=O)cn1 ZINC000047816953 415278548 /nfs/dbraw/zinc/27/85/48/415278548.db2.gz AXTXZSAZRJIWGM-UHFFFAOYSA-N 0 0 302.334 0.133 50 0 DCAARN CNC(=O)c1cccc(CNC(=O)CCCn2cncn2)c1 ZINC000047829225 415280155 /nfs/dbraw/zinc/28/01/55/415280155.db2.gz YEPYTVMMGXSFPL-UHFFFAOYSA-N 0 0 301.350 0.734 50 0 DCAARN COc1ccc(NC(=O)NC2CCN(CC(N)=O)CC2)cn1 ZINC000048019158 415283066 /nfs/dbraw/zinc/28/30/66/415283066.db2.gz AKLANOQNLWEAFP-UHFFFAOYSA-N 0 0 307.354 0.161 50 0 DCAARN COc1cccc([C@H](CNC(=O)COCC(=O)[O-])[NH+](C)C)c1 ZINC000044869559 415229127 /nfs/dbraw/zinc/22/91/27/415229127.db2.gz BKYMORKEZSDUHL-ZDUSSCGKSA-N 0 0 310.350 0.515 50 0 DCAARN O=C(Cn1nc(-c2cccs2)ccc1=O)N1CCOCC1 ZINC000044901134 415230930 /nfs/dbraw/zinc/23/09/30/415230930.db2.gz PMVUEEAJACWFOC-UHFFFAOYSA-N 0 0 305.359 0.831 50 0 DCAARN CN(Cc1cccnc1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000044916005 415230943 /nfs/dbraw/zinc/23/09/43/415230943.db2.gz WATZNSMHGNLCHZ-ZDUSSCGKSA-N 0 0 311.407 0.854 50 0 DCAARN COC[C@@H](C)NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000044908105 415231303 /nfs/dbraw/zinc/23/13/03/415231303.db2.gz CNVVMRYXAXOXEK-RNCFNFMXSA-N 0 0 322.340 0.397 50 0 DCAARN C[C@@H](C(=O)NC[C@H]1CCCO1)N1C(=O)NC2(CCCC2)C1=O ZINC000066313296 415355514 /nfs/dbraw/zinc/35/55/14/415355514.db2.gz MQUVZRZZLWGBGO-WDEREUQCSA-N 0 0 309.366 0.535 50 0 DCAARN O=C(NCCCn1cncn1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000048287376 415287054 /nfs/dbraw/zinc/28/70/54/415287054.db2.gz YADANARFFAXUTF-UONOGXRCSA-N 0 0 301.350 0.626 50 0 DCAARN O=C(NCCNc1ncccn1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000048272719 415287236 /nfs/dbraw/zinc/28/72/36/415287236.db2.gz GICJFOVGVPMUKG-UONOGXRCSA-N 0 0 313.361 0.846 50 0 DCAARN COc1ncccc1C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000066383928 415356317 /nfs/dbraw/zinc/35/63/17/415356317.db2.gz VKKWBTLGTXAQDJ-UHFFFAOYSA-N 0 0 303.322 0.627 50 0 DCAARN NS(=O)(=O)c1ccc(C(=O)NCCSC(F)(F)F)o1 ZINC000048782065 415299213 /nfs/dbraw/zinc/29/92/13/415299213.db2.gz IMIDFVBDCULHKW-UHFFFAOYSA-N 0 0 318.298 0.910 50 0 DCAARN CN(C)C(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 ZINC000072163727 415409348 /nfs/dbraw/zinc/40/93/48/415409348.db2.gz IICBFIOJWHIAKO-HNNXBMFYSA-N 0 0 303.406 0.898 50 0 DCAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCC(NC(N)=O)CC2)C1 ZINC000072313112 415414066 /nfs/dbraw/zinc/41/40/66/415414066.db2.gz KAAWWFOGJUJYCT-QWRGUYRKSA-N 0 0 318.443 0.342 50 0 DCAARN NC(=O)C1CCN(C(=O)CNC(=O)OCc2ccccc2)CC1 ZINC000067126214 415368690 /nfs/dbraw/zinc/36/86/90/415368690.db2.gz YERYQSGEDZWYAZ-UHFFFAOYSA-N 0 0 319.361 0.637 50 0 DCAARN CC[C@@H](C)n1nccc1NC(=O)[C@H](C)N1CCN(CCO)CC1 ZINC000066863411 415369124 /nfs/dbraw/zinc/36/91/24/415369124.db2.gz ONBPVLPHZAIKGP-KGLIPLIRSA-N 0 0 323.441 0.791 50 0 DCAARN CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CCN(CCO)CC1 ZINC000066863410 415371522 /nfs/dbraw/zinc/37/15/22/415371522.db2.gz ONBPVLPHZAIKGP-UONOGXRCSA-N 0 0 323.441 0.791 50 0 DCAARN C[C@H](NC(=O)c1cc(COc2ccccc2F)n[nH]1)C(N)=O ZINC000067713073 415383965 /nfs/dbraw/zinc/38/39/65/415383965.db2.gz BVLJWHFSJQPZGV-QMMMGPOBSA-N 0 0 306.297 0.731 50 0 DCAARN CCc1c(C)nn(CC(=O)NCC[C@@H]2CN(C)CCO2)c1C ZINC000067740553 415384110 /nfs/dbraw/zinc/38/41/10/415384110.db2.gz HDHARNJBVYMXAQ-CQSZACIVSA-N 0 0 308.426 0.899 50 0 DCAARN O=C(CNCCSc1c[nH]nn1)N=c1[nH]c2ccccc2[nH]1 ZINC000067723872 415386756 /nfs/dbraw/zinc/38/67/56/415386756.db2.gz UZNGDLVZPPRZSN-UHFFFAOYSA-N 0 0 317.378 0.423 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000067850217 415390494 /nfs/dbraw/zinc/39/04/94/415390494.db2.gz XHULVRHJKQEMHX-VXGBXAGGSA-N 0 0 307.350 0.084 50 0 DCAARN CC(=O)NCC[C@@H]1CCCCN1C(=O)CCc1nnc(C)[nH]1 ZINC000082096231 415485973 /nfs/dbraw/zinc/48/59/73/415485973.db2.gz BHRWKYFOEVLKOF-ZDUSSCGKSA-N 0 0 307.398 0.953 50 0 DCAARN C[C@@](O)(CNC(=O)C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000075155953 415436700 /nfs/dbraw/zinc/43/67/00/415436700.db2.gz WZEZXATZZHFWJL-IINYFYTJSA-N 0 0 312.391 0.367 50 0 DCAARN Cc1cc(C)c(CNC(=O)N[C@H](C)CN2CCOCC2)c(=O)[nH]1 ZINC000075111144 415438653 /nfs/dbraw/zinc/43/86/53/415438653.db2.gz KACUZFRWEIBZIT-CYBMUJFWSA-N 0 0 322.409 0.512 50 0 DCAARN O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCNC(=O)CC1 ZINC000075125610 415438978 /nfs/dbraw/zinc/43/89/78/415438978.db2.gz YEEWYIKGMUAVAR-UHFFFAOYSA-N 0 0 301.302 0.597 50 0 DCAARN CN(C)C(=O)Cn1cnc(NC(=O)CCc2ccsc2)n1 ZINC000076041041 415449822 /nfs/dbraw/zinc/44/98/22/415449822.db2.gz WETGFLUSLXNGHR-UHFFFAOYSA-N 0 0 307.379 0.999 50 0 DCAARN CCCCn1nnnc1CN1CCn2c(nnc2C2CC2)C1 ZINC000078787876 415471306 /nfs/dbraw/zinc/47/13/06/415471306.db2.gz CERKLSOMOYKLQU-UHFFFAOYSA-N 0 0 302.386 0.958 50 0 DCAARN CN1CCC[N@H+](CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC000091519119 415533403 /nfs/dbraw/zinc/53/34/03/415533403.db2.gz YDWVVDCJRGDQSI-LSDHHAIUSA-N 0 0 323.437 0.583 50 0 DCAARN C[C@@H](CO)NC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000095350303 415547355 /nfs/dbraw/zinc/54/73/55/415547355.db2.gz PIYIFQFSZVIYBK-VIFPVBQESA-N 0 0 313.379 0.630 50 0 DCAARN CCc1nnc(NCCN2CCN(c3ncccn3)CC2)o1 ZINC000095359358 415553107 /nfs/dbraw/zinc/55/31/07/415553107.db2.gz JTGBRBZICRXKCW-UHFFFAOYSA-N 0 0 303.370 0.656 50 0 DCAARN O=C(N[C@@H]1CCCCNC1=O)c1cnc(-c2ccncc2)nc1 ZINC000095371539 415553206 /nfs/dbraw/zinc/55/32/06/415553206.db2.gz VJIMSBXWDMMTHD-CYBMUJFWSA-N 0 0 311.345 0.937 50 0 DCAARN CN(C)C(=O)N1CCC[C@@H](C(=O)NCCCn2ccnn2)C1 ZINC000095378962 415556489 /nfs/dbraw/zinc/55/64/89/415556489.db2.gz YPCXNKPCYCSGLI-GFCCVEGCSA-N 0 0 308.386 0.178 50 0 DCAARN CC(=O)N[C@H](C(=O)N1CCC[C@@H](NC(C)=O)C1)C1CCCC1 ZINC000095950673 415562672 /nfs/dbraw/zinc/56/26/72/415562672.db2.gz RFKGJKZQBKGIHU-CABCVRRESA-N 0 0 309.410 0.808 50 0 DCAARN CC(=O)N[C@H](C(=O)N1CCC[C@H](NC(C)=O)C1)C1CCCC1 ZINC000095950674 415563467 /nfs/dbraw/zinc/56/34/67/415563467.db2.gz RFKGJKZQBKGIHU-GJZGRUSLSA-N 0 0 309.410 0.808 50 0 DCAARN Cc1noc(CN2CCN(Cc3ccn(C)c(=O)c3)CC2)n1 ZINC000095951883 415563844 /nfs/dbraw/zinc/56/38/44/415563844.db2.gz KAXQUUSMZBUMHK-UHFFFAOYSA-N 0 0 303.366 0.395 50 0 DCAARN CCn1c(=O)cc(N2CC[C@@H](CNc3ccccn3)C2)[nH]c1=O ZINC000095997111 415569138 /nfs/dbraw/zinc/56/91/38/415569138.db2.gz LPVXEEPHLGHKFN-LBPRGKRZSA-N 0 0 315.377 0.890 50 0 DCAARN Cn1cnc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C2CC2)c1 ZINC000096025981 415573797 /nfs/dbraw/zinc/57/37/97/415573797.db2.gz SUMUZEWLYLYKLG-OAHLLOKOSA-N 0 0 321.402 0.996 50 0 DCAARN C[C@H](N[C@H]1CCNC1=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000097033540 415581891 /nfs/dbraw/zinc/58/18/91/415581891.db2.gz GBPBSNNLWKKEDB-KWQFWETISA-N 0 0 300.355 0.768 50 0 DCAARN C[C@@H](N[C@@H]1CCNC1=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000097033539 415582118 /nfs/dbraw/zinc/58/21/18/415582118.db2.gz GBPBSNNLWKKEDB-LDYMZIIASA-N 0 0 300.355 0.768 50 0 DCAARN O[C@H](Cn1cnc2c1ncnc2N1CCOCC1)C(F)(F)F ZINC000097141608 415585907 /nfs/dbraw/zinc/58/59/07/415585907.db2.gz XCICYCWYDQZVMM-MRVPVSSYSA-N 0 0 317.271 0.586 50 0 DCAARN C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@@H]1CCc3nccn3C1)CS2 ZINC000097197771 415588296 /nfs/dbraw/zinc/58/82/96/415588296.db2.gz SOGIEMALIOTPKM-HFAKWTLXSA-N 0 0 320.418 0.768 50 0 DCAARN CC(C)N1C(Br)=N[C@@H]2[C@@H]1C(=O)N(C)C(=O)N2C ZINC000098086597 415591297 /nfs/dbraw/zinc/59/12/97/415591297.db2.gz QZCQGBJAOFXFKU-RQJHMYQMSA-N 0 0 303.160 0.680 50 0 DCAARN O=S(=O)(NC[C@@H]1CN2CCC[C@H]2CO1)c1cccs1 ZINC000107348260 415663078 /nfs/dbraw/zinc/66/30/78/415663078.db2.gz XKFSGPAPYXTYEO-WDEREUQCSA-N 0 0 302.421 0.890 50 0 DCAARN CC[C@@H](NC(=O)c1sccc1S(=O)(=O)N(C)C)[C@@H](C)O ZINC000334105244 415805883 /nfs/dbraw/zinc/80/58/83/415805883.db2.gz CSZKEWYJYRIBRN-RKDXNWHRSA-N 0 0 320.436 0.888 50 0 DCAARN CC1(C)NC(=O)N(CCCn2c(=O)oc3cccnc32)C1=O ZINC000153394964 415980623 /nfs/dbraw/zinc/98/06/23/415980623.db2.gz BOWOLZRWGQVCGE-UHFFFAOYSA-N 0 0 304.306 0.710 50 0 DCAARN Cc1cc(NCCNC(N)=O)n2nc(C(F)(F)F)nc2n1 ZINC000301305085 416079549 /nfs/dbraw/zinc/07/95/49/416079549.db2.gz XXBMYLFBNZBZHV-UHFFFAOYSA-N 0 0 303.248 0.532 50 0 DCAARN Cc1cnc(C)c(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000299307549 416061072 /nfs/dbraw/zinc/06/10/72/416061072.db2.gz DXDJPTDZRKQYRS-CYBMUJFWSA-N 0 0 310.423 0.403 50 0 DCAARN C[C@@H](NS(C)(=O)=O)C(=O)N1CC(Oc2ccc(F)cc2)C1 ZINC000299757684 416064395 /nfs/dbraw/zinc/06/43/95/416064395.db2.gz AEWGIINIGKKRLN-SECBINFHSA-N 0 0 316.354 0.353 50 0 DCAARN Nc1ccsc1C(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299773598 416066120 /nfs/dbraw/zinc/06/61/20/416066120.db2.gz DQCHCPMPIVVLAN-QWRGUYRKSA-N 0 0 305.363 0.908 50 0 DCAARN NS(=O)(=O)c1cccc(NC(=O)NCC2(CO)CCC2)c1 ZINC000299775968 416067124 /nfs/dbraw/zinc/06/71/24/416067124.db2.gz METQBXFSNGYJHN-UHFFFAOYSA-N 0 0 313.379 0.618 50 0 DCAARN C[N@@H+]1C[C@@H](NC(=O)CCC(=O)Nc2ccccc2)C[C@H]1C(=O)[O-] ZINC000299801765 416070950 /nfs/dbraw/zinc/07/09/50/416070950.db2.gz XYSCORZMVAJRGV-STQMWFEESA-N 0 0 319.361 0.679 50 0 DCAARN Cc1nc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)n(C)c1C ZINC000299800715 416071030 /nfs/dbraw/zinc/07/10/30/416071030.db2.gz IMKMQDSPELBBLR-KBPBESRZSA-N 0 0 302.382 0.974 50 0 DCAARN O=C(CCc1ccncc1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299800554 416072029 /nfs/dbraw/zinc/07/20/29/416072029.db2.gz UAAVXANIMKKXKE-GJZGRUSLSA-N 0 0 313.361 0.978 50 0 DCAARN O=C(NCc1cccnc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171606686 416040313 /nfs/dbraw/zinc/04/03/13/416040313.db2.gz QDMGWGDFEQXZMT-CQSZACIVSA-N 0 0 301.350 0.889 50 0 DCAARN Cc1cc(NC(=O)CN2CCN(Cc3cncn3C)CC2)no1 ZINC000177240922 416142988 /nfs/dbraw/zinc/14/29/88/416142988.db2.gz BGZCBJLNTWNZJM-UHFFFAOYSA-N 0 0 318.381 0.473 50 0 DCAARN Cc1ccc2[nH]c(CNC(=O)N3CCNC(=O)CC3)nc2c1 ZINC000342172382 416289959 /nfs/dbraw/zinc/28/99/59/416289959.db2.gz ADUOPZKNJCYZLI-UHFFFAOYSA-N 0 0 301.350 0.903 50 0 DCAARN COC(=O)c1cn(CCC(=O)N2CCCC2)cc2c(=O)[nH]nc1-2 ZINC000263588884 416338533 /nfs/dbraw/zinc/33/85/33/416338533.db2.gz ZLTXRJDUKBCPPK-UHFFFAOYSA-N 0 0 318.333 0.475 50 0 DCAARN COC(=O)c1cn(Cc2c(C)n[nH]c2C)cc2c(=O)[nH]nc1-2 ZINC000263587281 416338549 /nfs/dbraw/zinc/33/85/49/416338549.db2.gz FENHRSHADFTNBG-UHFFFAOYSA-N 0 0 301.306 0.851 50 0 DCAARN Cn1c(CNC(=O)[C@@H]([NH3+])CO)nc2cc(C(F)(F)F)ccc21 ZINC000215499193 416327147 /nfs/dbraw/zinc/32/71/47/416327147.db2.gz SXLDHGAWMAZWMF-QMMMGPOBSA-N 0 0 316.283 0.528 50 0 DCAARN CCn1ncnc1[C@@H](NC(=O)c1nc2ncccn2n1)C1CC1 ZINC000215319313 416327180 /nfs/dbraw/zinc/32/71/80/416327180.db2.gz XKOYUTBINOTFGE-JTQLQIEISA-N 0 0 312.337 0.617 50 0 DCAARN Cc1nn(CC(=O)N(CCO)Cc2nccn2C)c(C)c1C ZINC000216296677 416327423 /nfs/dbraw/zinc/32/74/23/416327423.db2.gz NRHHZZHLCYKVRS-UHFFFAOYSA-N 0 0 305.382 0.563 50 0 DCAARN CS(=O)(=O)CCN1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000216293409 416327459 /nfs/dbraw/zinc/32/74/59/416327459.db2.gz KPXZLPQVQOLAAC-UHFFFAOYSA-N 0 0 322.434 0.725 50 0 DCAARN Cc1onc(C(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)c1CO ZINC000243957135 416330315 /nfs/dbraw/zinc/33/03/15/416330315.db2.gz CGJDPWYWZWBPPK-SUZMYJTESA-N 0 0 320.349 0.451 50 0 DCAARN CN1CCN(NS(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000243196506 416330539 /nfs/dbraw/zinc/33/05/39/416330539.db2.gz KCLKVHOQQUKUNI-UHFFFAOYSA-N 0 0 303.815 0.922 50 0 DCAARN O=C(C[N@H+]1CCC[C@@](O)(CO)CC1)NCCc1ccc(F)cc1 ZINC000244715971 416330714 /nfs/dbraw/zinc/33/07/14/416330714.db2.gz LFZVWRVGNZOJID-KRWDZBQOSA-N 0 0 324.396 0.694 50 0 DCAARN CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)C(=O)c2ccco2)C1 ZINC000244707868 416330804 /nfs/dbraw/zinc/33/08/04/416330804.db2.gz KIZQQFMMWUYXCK-MGCOHNPYSA-N 0 0 318.333 0.628 50 0 DCAARN Cn1cc([C@H](NC(=O)CCN2CCCCO2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244659890 416330929 /nfs/dbraw/zinc/33/09/29/416330929.db2.gz HKQONBIQRBWVQD-IVMMDQJWSA-N 0 0 322.409 0.766 50 0 DCAARN C[C@@H]1O[C@H](Nc2ccc(Br)cc2)[C@H](O)[C@@H](O)[C@H]1O ZINC000245333873 416331107 /nfs/dbraw/zinc/33/11/07/416331107.db2.gz BOGJQGFKEAPGGK-GHIOYOQGSA-N 0 0 318.167 0.689 50 0 DCAARN O[C@H]1COC[C@@H]1Nc1cc(C(F)(F)F)nc(N2CCCC2)n1 ZINC000584895651 416516946 /nfs/dbraw/zinc/51/69/46/416516946.db2.gz YHXPCBDQAOVGOA-IUCAKERBSA-N 0 0 318.299 1.267 50 0 DCAARN Nc1nc(CNC(=O)[C@H]2CCCCN2C(=O)C2CC2)cs1 ZINC000584896439 416516970 /nfs/dbraw/zinc/51/69/70/416516970.db2.gz CBDPQNWEGAJBNH-LLVKDONJSA-N 0 0 308.407 1.133 50 0 DCAARN CCc1c[nH]c(=O)c(C(=O)N2CCC[C@]2(COC)C(=O)NC)c1 ZINC000585110743 416518257 /nfs/dbraw/zinc/51/82/57/416518257.db2.gz PFEJZZLXTWRVIR-INIZCTEOSA-N 0 0 321.377 0.717 50 0 DCAARN CCc1cccc(NC(=O)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)c1 ZINC000585120085 416518534 /nfs/dbraw/zinc/51/85/34/416518534.db2.gz PTKZPKXBDCFBGB-TXEJJXNPSA-N 0 0 304.350 0.300 50 0 DCAARN CNC(=O)[C@H]1CCC[C@H]1Nc1ccn2c(C(=O)OC)cnc2n1 ZINC000585142447 416520168 /nfs/dbraw/zinc/52/01/68/416520168.db2.gz WQYRDWIEUAKLCY-VHSXEESVSA-N 0 0 317.349 0.843 50 0 DCAARN Cc1ccc(NCCCNC(=O)CN2CCN(C)C2=O)nc1 ZINC000426359861 416761563 /nfs/dbraw/zinc/76/15/63/416761563.db2.gz NSDDFMJXFVLNDK-UHFFFAOYSA-N 0 0 305.382 0.676 50 0 DCAARN OCCNc1nc([C@H]2CCOC2)cc(N2CCSCC2)n1 ZINC000426711311 416781296 /nfs/dbraw/zinc/78/12/96/416781296.db2.gz LKMGVFDEWWTNCC-NSHDSACASA-N 0 0 310.423 0.938 50 0 DCAARN CNS(=O)(=O)C[C@H]1CCCN(C(=O)NC[C@@H]2CCCO2)C1 ZINC000624338715 417010968 /nfs/dbraw/zinc/01/09/68/417010968.db2.gz BHLDLMYEBVSUIZ-RYUDHWBXSA-N 0 0 319.427 0.136 50 0 DCAARN CCn1ncc(CNC(=O)N[C@@H](c2nccn2C)C2CC2)n1 ZINC000527938626 417288553 /nfs/dbraw/zinc/28/85/53/417288553.db2.gz KIZREWXMRUPPPW-GFCCVEGCSA-N 0 0 303.370 0.982 50 0 DCAARN O=C(NCCOCCN1C(=O)CCC1=O)c1ccncc1F ZINC000575605991 417538545 /nfs/dbraw/zinc/53/85/45/417538545.db2.gz GFAZHFCGBVFLFL-UHFFFAOYSA-N 0 0 309.297 0.116 50 0 DCAARN CN1CC[C@@H](C(=O)NC2CCC(C(F)F)CC2)S1(=O)=O ZINC000648417241 418135297 /nfs/dbraw/zinc/13/52/97/418135297.db2.gz RXCOEQMPIXQSII-RTBKNWGFSA-N 0 0 310.366 0.960 50 0 DCAARN CC[C@@H](NC(=O)N1CCN(c2nncn2C)CC1)C(F)F ZINC000656115843 418328053 /nfs/dbraw/zinc/32/80/53/418328053.db2.gz GQAVLPQPSKNELI-SECBINFHSA-N 0 0 302.329 0.690 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000361810535 261964468 /nfs/dbraw/zinc/96/44/68/261964468.db2.gz DJWSYZZTOYKODC-SECBINFHSA-N 0 0 301.324 0.117 50 0 DCAARN CNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2C)C1 ZINC000420732651 262383548 /nfs/dbraw/zinc/38/35/48/262383548.db2.gz LJWNLJBOSWYBSF-JTQLQIEISA-N 0 0 300.355 0.891 50 0 DCAARN C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(F)c3)CN2C1=O ZINC000014534816 278047441 /nfs/dbraw/zinc/04/74/41/278047441.db2.gz UCRBAFLGOVNIJM-UWJYBYFXSA-N 0 0 320.324 0.435 50 0 DCAARN CC(=O)OC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000002674111 278219900 /nfs/dbraw/zinc/21/99/00/278219900.db2.gz PHWOTSJWWWEKMS-YBXAARCKSA-N 0 0 302.323 0.946 50 0 biogenic DCAARN CC1CCN(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000004988292 278533768 /nfs/dbraw/zinc/53/37/68/278533768.db2.gz AKRMEPSILJQCLH-UHFFFAOYSA-N 0 0 318.443 0.262 50 0 DCAARN CC(C)C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000229472369 279194439 /nfs/dbraw/zinc/19/44/39/279194439.db2.gz UNCHCBJAXKFYNN-SRVKXCTJSA-N 0 0 306.428 0.586 50 0 DCAARN CCOCCn1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O ZINC000009708636 279728204 /nfs/dbraw/zinc/72/82/04/279728204.db2.gz WCXPQGPBHBCOQV-UHFFFAOYSA-N 0 0 306.322 0.594 50 0 DCAARN CC(C)[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000095465810 280015413 /nfs/dbraw/zinc/01/54/13/280015413.db2.gz NBQLCJOOTSPXOS-UPJWGTAASA-N 0 0 306.428 0.697 50 0 DCAARN CCn1nc(C)c([C@H]2C(C(N)=O)=C(C)Nc3ncnn32)c1C ZINC000102450223 288757077 /nfs/dbraw/zinc/75/70/77/288757077.db2.gz KPZSCLVOTQXZSE-LBPRGKRZSA-N 0 0 301.354 0.886 50 0 DCAARN Cc1n[nH]cc1CNC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000285226794 293137156 /nfs/dbraw/zinc/13/71/56/293137156.db2.gz PPSNPAHPKOKZQQ-MGPQQGTHSA-N 0 0 308.382 0.790 50 0 DCAARN Cc1oc(NC(=O)CN2CCOC[C@@H]2C)c2c1c(C)n[nH]c2=O ZINC000026451997 294036501 /nfs/dbraw/zinc/03/65/01/294036501.db2.gz LMKCUKKCDKDETR-QMMMGPOBSA-N 0 0 320.349 0.792 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](F)CN1c1cc(N2CCSCC2)ncn1 ZINC000284647970 295126260 /nfs/dbraw/zinc/12/62/60/295126260.db2.gz VABMQLHJUGIPKX-ZJUUUORDSA-N 0 0 311.386 0.432 50 0 DCAARN COc1ccc([C@H](C)NC(=O)CCNS(C)(=O)=O)cc1F ZINC000044916093 295235756 /nfs/dbraw/zinc/23/57/56/295235756.db2.gz PIUOBVBLQJLDGI-VIFPVBQESA-N 0 0 318.370 0.951 50 0 DCAARN COc1cccc(C)c1C(=O)N1CCN2CCNC(=O)[C@@H]2C1 ZINC000065535404 295289496 /nfs/dbraw/zinc/28/94/96/295289496.db2.gz VAQBJLOYXNBCHM-LBPRGKRZSA-N 0 0 303.362 0.260 50 0 DCAARN O=C(CCN1C(=O)c2ccccc2C1=O)NC1=NCCS1 ZINC000002648942 295473364 /nfs/dbraw/zinc/47/33/64/295473364.db2.gz YUHCNTAYJYZXBF-UHFFFAOYSA-N 0 0 303.343 0.892 50 0 DCAARN O=C1Nc2ccc(Br)cc2[C@]1(O)N1CCOCC1 ZINC000004164590 304689003 /nfs/dbraw/zinc/68/90/03/304689003.db2.gz OXYSQVHVWYQBAL-GFCCVEGCSA-N 0 0 313.151 0.879 50 0 DCAARN Cc1cccc(C)c1N1C(=O)C[C@@H](NN2CCOCC2)C1=O ZINC000019168414 301970746 /nfs/dbraw/zinc/97/07/46/301970746.db2.gz SPGLGAPHSSITFC-CYBMUJFWSA-N 0 0 303.362 0.772 50 0 DCAARN O=C(Nc1ccccn1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000012515734 331531737 /nfs/dbraw/zinc/53/17/37/331531737.db2.gz PFUPUUCIFRZHMP-UHFFFAOYSA-N 0 0 304.331 0.518 50 0 DCAARN Cc1[nH]c(=O)c(C(=O)N[C@H](C)CCO)cc1Br ZINC000097165512 332193495 /nfs/dbraw/zinc/19/34/95/332193495.db2.gz CDZDDJAUKIGNHV-ZCFIWIBFSA-N 0 0 303.156 0.947 50 0 DCAARN CC[C@@H](NC(=O)NCCNS(C)(=O)=O)c1ncccc1C ZINC000534593130 334294899 /nfs/dbraw/zinc/29/48/99/334294899.db2.gz JUTUNXUOYXNODM-LLVKDONJSA-N 0 0 314.411 0.690 50 0 DCAARN CCO[C@H]1COC[C@@H]1NC(=O)c1ccccc1-n1cnnc1 ZINC000534644726 334306747 /nfs/dbraw/zinc/30/67/47/334306747.db2.gz OPALTGCOMQQNHD-JSGCOSHPSA-N 0 0 302.334 0.801 50 0 DCAARN Cc1csc(CCNC(=O)Cn2nc(C)c(C)cc2=O)n1 ZINC000534632380 334307981 /nfs/dbraw/zinc/30/79/81/334307981.db2.gz CQGXAFCDUIBPIL-UHFFFAOYSA-N 0 0 306.391 0.984 50 0 DCAARN COc1ccccc1OC1CN(C(=O)NCCC(=O)N(C)C)C1 ZINC000534633658 334308478 /nfs/dbraw/zinc/30/84/78/334308478.db2.gz IOHVSMLQRVPURQ-UHFFFAOYSA-N 0 0 321.377 0.946 50 0 DCAARN c1ccc(-n2[n-]nnc2=N[C@H]2COC[C@@H]2[NH+]2CCCC2)cc1 ZINC000534639200 334310278 /nfs/dbraw/zinc/31/02/78/334310278.db2.gz KGLOWPIXIDBJDU-KBPBESRZSA-N 0 0 300.366 0.359 50 0 DCAARN COC(=O)c1sc(C(=O)OC)c(C(=O)OC)c1C(=O)OC ZINC000001017368 518032054 /nfs/dbraw/zinc/03/20/54/518032054.db2.gz GUXHNAHZCAOGDO-UHFFFAOYSA-N 0 0 316.287 0.895 50 0 DCAARN O=C(Cc1ccc2c(c1)OCO2)N1CCc2[nH]nc(CO)c2C1 ZINC000299779793 534713349 /nfs/dbraw/zinc/71/33/49/534713349.db2.gz RQDYDEIZUHJYBP-UHFFFAOYSA-N 0 0 315.329 0.758 50 0 DCAARN CC(C)(C)C(=O)NCCS(=O)(=O)CCNC(=O)C(C)(C)C ZINC000408516187 527597184 /nfs/dbraw/zinc/59/71/84/527597184.db2.gz WXJVPJGAEOUREQ-UHFFFAOYSA-N 0 0 320.455 0.726 50 0 DCAARN CCCn1cc(NC(=O)N2Cc3cnn(CCO)c3C2)nn1 ZINC000299789794 528847696 /nfs/dbraw/zinc/84/76/96/528847696.db2.gz FMTYZRBUJAUTQI-UHFFFAOYSA-N 0 0 305.342 0.425 50 0 DCAARN CCS(=O)(=O)N1CC[C@@H](Oc2cc(N(C)C)ncn2)C1 ZINC000065269354 545658899 /nfs/dbraw/zinc/65/88/99/545658899.db2.gz WMVINKFUPREGLN-SNVBAGLBSA-N 0 0 300.384 0.345 50 0 DCAARN Cc1cc(C)n(-c2ccc(N(C)CCNS(C)(=O)=O)nc2)n1 ZINC000084105169 545700683 /nfs/dbraw/zinc/70/06/83/545700683.db2.gz FQGXCKVBGKDLTJ-UHFFFAOYSA-N 0 0 323.422 0.870 50 0 DCAARN COc1cc2c(cc1OC)CN(C(=O)C[C@H]1C[NH2+]CCO1)CC2 ZINC000216020126 545938958 /nfs/dbraw/zinc/93/89/58/545938958.db2.gz BDLAIIOVTXCPHC-AWEZNQCLSA-N 0 0 320.389 0.967 50 0 DCAARN O=C([O-])COc1ccccc1C[N@@H+]1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000216005515 545939133 /nfs/dbraw/zinc/93/91/33/545939133.db2.gz CYAKNETYJIKCKS-PYHGIMPFSA-N 0 0 321.373 0.714 50 0 DCAARN O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1c[nH]c(=O)cn1 ZINC000222626097 545941400 /nfs/dbraw/zinc/94/14/00/545941400.db2.gz VKSRNGVHEWOECS-UHFFFAOYSA-N 0 0 310.317 0.940 50 0 DCAARN COc1ccc2nnc(CNC(=O)c3c(C)n[nH]c3C)n2n1 ZINC000238864301 545960173 /nfs/dbraw/zinc/96/01/73/545960173.db2.gz LKHPRTKTZBIIDJ-UHFFFAOYSA-N 0 0 301.310 0.403 50 0 DCAARN CC(=O)NCC(=O)N1C[C@H](c2ncon2)[C@@H](c2ccccc2)C1 ZINC000238815934 545960199 /nfs/dbraw/zinc/96/01/99/545960199.db2.gz BLXAOZGTGXKTSD-KGLIPLIRSA-N 0 0 314.345 0.915 50 0 DCAARN CN(CC(=O)N1CCN(C)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000584907895 546302641 /nfs/dbraw/zinc/30/26/41/546302641.db2.gz VZUSDDHJYHUASX-UHFFFAOYSA-N 0 0 319.361 0.261 50 0 DCAARN CN1C[C@@H](CNC(=O)c2cccc3nccnc32)OCC1=O ZINC000670444638 547093690 /nfs/dbraw/zinc/09/36/90/547093690.db2.gz WPTMLZRUBZSJHN-SNVBAGLBSA-N 0 0 300.318 0.217 50 0 DCAARN Cc1c(S(=O)(=O)N(C)Cc2noc(C3CC3)n2)cnn1C ZINC000670449162 547094151 /nfs/dbraw/zinc/09/41/51/547094151.db2.gz UKLBAFKRPHVPFN-UHFFFAOYSA-N 0 0 311.367 0.810 50 0 DCAARN Cc1nc(CNS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000670457216 547097874 /nfs/dbraw/zinc/09/78/74/547097874.db2.gz JCHBLTNOFRJSMI-SECBINFHSA-N 0 0 310.422 0.058 50 0 DCAARN O=C1CN(S(=O)(=O)C2CC2)CCN1Cc1ccc(F)cc1 ZINC000670462927 547098482 /nfs/dbraw/zinc/09/84/82/547098482.db2.gz KRDABNKBIGALAN-UHFFFAOYSA-N 0 0 312.366 0.962 50 0 DCAARN CCCN1C[C@H](NS(=O)(=O)c2cnn(CC)c2)CC1=O ZINC000670462908 547099425 /nfs/dbraw/zinc/09/94/25/547099425.db2.gz UJNOSLFRRCLQFT-SNVBAGLBSA-N 0 0 300.384 0.192 50 0 DCAARN O=C(c1cccn1C1CC1)N1CCN(Cc2nc[nH]n2)CC1 ZINC000670468428 547100401 /nfs/dbraw/zinc/10/04/01/547100401.db2.gz OMSUCEGCASOUOV-UHFFFAOYSA-N 0 0 300.366 0.899 50 0 DCAARN CCC1=NO[C@H](C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)C1 ZINC000670471871 547101783 /nfs/dbraw/zinc/10/17/83/547101783.db2.gz AJFJNNLVSMCYRL-LBPRGKRZSA-N 0 0 309.366 0.391 50 0 DCAARN C[C@@H]1CN(c2nnnn2C[C@H]2CSCCS2)CCO1 ZINC000685945107 548749358 /nfs/dbraw/zinc/74/93/58/548749358.db2.gz UZOSECBSCPTMPV-ZJUUUORDSA-N 0 0 301.441 0.747 50 0 DCAARN CC(C)Oc1cc(CNS(=O)(=O)c2cnc(N)nc2)ccn1 ZINC000685943405 548748156 /nfs/dbraw/zinc/74/81/56/548748156.db2.gz MFSUEKJQGAZBGF-UHFFFAOYSA-N 0 0 323.378 0.720 50 0 DCAARN O=C(NCCCn1cccn1)c1coc(CN2CC[C@H](O)C2)n1 ZINC000685943887 548748382 /nfs/dbraw/zinc/74/83/82/548748382.db2.gz GXCKDZCALLRXET-LBPRGKRZSA-N 0 0 319.365 0.258 50 0 DCAARN C[C@H]1CN(c2nnnn2C[C@@H]2CSCCS2)CCO1 ZINC000685945106 548749250 /nfs/dbraw/zinc/74/92/50/548749250.db2.gz UZOSECBSCPTMPV-VHSXEESVSA-N 0 0 301.441 0.747 50 0 DCAARN CC[C@H](C(=O)[O-])[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000191431451 600996950 /nfs/dbraw/zinc/99/69/50/600996950.db2.gz ILUMYVAURUAGSU-CQSZACIVSA-N 0 0 311.426 0.916 50 0 DCAARN CS(=O)(=O)CCN1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000888101283 661181171 /nfs/dbraw/zinc/18/11/71/661181171.db2.gz FACFXMJEVUJCQM-UHFFFAOYSA-N 0 0 322.434 0.725 50 0 DCAARN NC(=O)C1CCN(C(=O)CN(Cc2ccccn2)C2CC2)CC1 ZINC000181316832 659132161 /nfs/dbraw/zinc/13/21/61/659132161.db2.gz FDXPJVZXGYDGKT-UHFFFAOYSA-N 0 0 316.405 0.770 50 0 DCAARN CC(=O)NC[C@H]1CCn2ncc(-c3nc(N(C)C)no3)c2C1 ZINC000285320222 659685772 /nfs/dbraw/zinc/68/57/72/659685772.db2.gz KWVWPQVYWFGRAM-JTQLQIEISA-N 0 0 304.354 0.698 50 0 DCAARN Cn1cc(C(F)(F)F)c(=O)n(Cc2noc(C3CC3)n2)c1=O ZINC000952993460 665873360 /nfs/dbraw/zinc/87/33/60/665873360.db2.gz YAWAWPYOESMORF-UHFFFAOYSA-N 0 0 316.239 0.875 50 0 DCAARN CC(C)CN1C(=O)c2cccn2C[C@H]1C(=O)N1CCOCC1 ZINC000169749297 664559252 /nfs/dbraw/zinc/55/92/52/664559252.db2.gz VBSQBWQAUJVFTF-AWEZNQCLSA-N 0 0 305.378 0.827 50 0 DCAARN Cc1nc2c(c(=O)[nH]1)CN(S(=O)(=O)N(C)[C@@H](C)C1CC1)C2 ZINC000874434884 665175211 /nfs/dbraw/zinc/17/52/11/665175211.db2.gz GSYYUSGOWYGJJW-QMMMGPOBSA-N 0 0 312.395 0.781 50 0 DCAARN CC(C)CO[C@H](C)C(=O)NCCn1cnc2c1ncnc2N ZINC000862975035 667105221 /nfs/dbraw/zinc/10/52/21/667105221.db2.gz ICRMHBZIXHSGJP-SNVBAGLBSA-N 0 0 306.370 0.586 50 0 DCAARN Cc1ccccc1C1(CNS(=O)(=O)[C@@H]2COC[C@H]2O)CC1 ZINC000864094018 667214145 /nfs/dbraw/zinc/21/41/45/667214145.db2.gz AKLREKVCMKKYSV-ZIAGYGMSSA-N 0 0 311.403 0.706 50 0 DCAARN CCOc1ccccc1N1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000194857550 670459414 /nfs/dbraw/zinc/45/94/14/670459414.db2.gz JSEIPQZJFQVABN-CYBMUJFWSA-N 0 0 317.389 0.870 50 0 DCAARN Cc1nnnn1-c1ccc(CC(=O)N2C[C@@H](O)[C@H](F)C2)cc1 ZINC000952975561 685600004 /nfs/dbraw/zinc/60/00/04/685600004.db2.gz OAOJBTWWVDXJPJ-CHWSQXEVSA-N 0 0 305.313 0.054 50 0 DCAARN CS(=O)(=O)CC1(C(=O)NC[C@H](O)C2CCCCC2)COC1 ZINC000952994412 685603758 /nfs/dbraw/zinc/60/37/58/685603758.db2.gz OYSDMHGFEOGQRX-LBPRGKRZSA-N 0 0 319.423 0.105 50 0 DCAARN CC(=O)N[C@H](C1=CCCN(CCNC(N)=O)C1)C(F)(F)F ZINC000065381071 685063565 /nfs/dbraw/zinc/06/35/65/685063565.db2.gz UDPBQANENPVKHG-SNVBAGLBSA-N 0 0 308.304 0.354 50 0 DCAARN Cc1c(C(=O)N2CCNC(=O)[C@@H]2C)sc2ncn(C)c(=O)c12 ZINC000063872174 685063700 /nfs/dbraw/zinc/06/37/00/685063700.db2.gz RTVICZVIVJCOSH-QMMMGPOBSA-N 0 0 320.374 0.264 50 0 DCAARN Cc1cc(=O)[nH]c(CCNc2cc(OC(C)C)nc(N)n2)n1 ZINC000065496821 685064031 /nfs/dbraw/zinc/06/40/31/685064031.db2.gz DQGRFQMOGHCSJA-UHFFFAOYSA-N 0 0 304.354 0.892 50 0 DCAARN CC1=C(C(=O)N(CCO)Cc2ccccc2)[C@@H](C)NC(=O)N1 ZINC000065465317 685064172 /nfs/dbraw/zinc/06/41/72/685064172.db2.gz TXWZXPCENBPRDQ-LLVKDONJSA-N 0 0 303.362 0.983 50 0 DCAARN O[C@@H]1CCN(c2ccnc(N3CCCn4cncc4C3)n2)C1 ZINC000072148123 685074242 /nfs/dbraw/zinc/07/42/42/685074242.db2.gz JTNJZTWGNWUBFN-CYBMUJFWSA-N 0 0 300.366 0.654 50 0 DCAARN N#Cc1cccc(S(=O)(=O)N2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)c1 ZINC000072154770 685075854 /nfs/dbraw/zinc/07/58/54/685075854.db2.gz APOVGJWYPKBBDW-NEBZKDRISA-N 0 0 322.386 0.311 50 0 DCAARN Cc1nnc2n1C[C@H](CNC(=O)c1cc(-c3ccccn3)n[nH]1)C2 ZINC001772705001 1157844221 /nfs/dbraw/zinc/84/42/21/1157844221.db2.gz ODXMGWZMVXYPQA-NSHDSACASA-N 0 0 323.360 0.974 50 0 DCAARN Cc1c(C(=O)N2C[C@@H]3[C@H](C2)C3(CO)CO)[nH]c2c1C(=O)CCC2 ZINC001772711624 1157848886 /nfs/dbraw/zinc/84/88/86/1157848886.db2.gz FZZIUWFQRXLSPU-PHIMTYICSA-N 0 0 318.373 0.515 50 0 DCAARN C[C@@H](CC(=O)NC[C@@]1(CO)COCCN1)Cc1cccc(F)c1 ZINC000585128957 1158818132 /nfs/dbraw/zinc/81/81/32/1158818132.db2.gz SCVXACFRJOKUJE-CXAGYDPISA-N 0 0 324.396 0.862 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cnc(C)nc3)C[C@H]2O)on1 ZINC001704280167 1179958816 /nfs/dbraw/zinc/95/88/16/1179958816.db2.gz OAQAQQBIUWFNAO-BXUZGUMPSA-N 0 0 302.334 0.757 50 0 DCAARN CN1C(=O)[C@H]2COC[C@@H]1C[N@@H+](Cc1ccccc1C(=O)[O-])C2 ZINC001704308640 1179968268 /nfs/dbraw/zinc/96/82/68/1179968268.db2.gz GGRJMNUXQZSFJO-OLZOCXBDSA-N 0 0 304.346 0.674 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)C(=O)c3cccn3C)C[C@@H]2O)on1 ZINC001704336457 1179977042 /nfs/dbraw/zinc/97/70/42/1179977042.db2.gz JEOSJGFOEJWRFD-RISCZKNCSA-N 0 0 317.345 0.566 50 0 DCAARN CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cccs1 ZINC001704339520 1179979124 /nfs/dbraw/zinc/97/91/24/1179979124.db2.gz KQAFRNSJFOZWDG-VHSXEESVSA-N 0 0 318.420 0.384 50 0 DCAARN COCc1nc(CO[C@@H]2CCCN(S(C)(=O)=O)C2)no1 ZINC000675017610 748025861 /nfs/dbraw/zinc/02/58/61/748025861.db2.gz XHHKRGAJXNVNSA-SECBINFHSA-N 0 0 305.356 0.157 50 0 DCAARN CCOCc1cn([C@@H]2CCN(C(=O)Cn3cc(C)cn3)C2)nn1 ZINC000675018026 748026647 /nfs/dbraw/zinc/02/66/47/748026647.db2.gz KSXZVUWYNQVOLL-CQSZACIVSA-N 0 0 318.381 0.793 50 0 DCAARN CN(C)c1nc(CCC2CCN(S(C)(=O)=O)CC2)no1 ZINC000675024204 748028354 /nfs/dbraw/zinc/02/83/54/748028354.db2.gz GAXVTSGGNUSDIY-UHFFFAOYSA-N 0 0 302.400 0.740 50 0 DCAARN CC(C)NC(=O)CCNS(=O)(=O)c1cnn(C(C)C)c1 ZINC000675030002 748028933 /nfs/dbraw/zinc/02/89/33/748028933.db2.gz GJCVJOVKNITIIP-UHFFFAOYSA-N 0 0 302.400 0.657 50 0 DCAARN CC(=O)c1cccc(S(=O)(=O)N2CC(n3nccn3)C2)c1 ZINC000888107011 749525391 /nfs/dbraw/zinc/52/53/91/749525391.db2.gz ISNSBLYCAIFEOM-UHFFFAOYSA-N 0 0 306.347 0.726 50 0 DCAARN CN(C)c1nc2cc(C(=O)NCc3nnc(N)o3)ccc2o1 ZINC000585081996 754954622 /nfs/dbraw/zinc/95/46/22/754954622.db2.gz NIIBFMKEDGMBRS-UHFFFAOYSA-N 0 0 302.294 0.789 50 0 DCAARN CC(C)C1=NO[C@H](C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000820723149 758153078 /nfs/dbraw/zinc/15/30/78/758153078.db2.gz ILEUAEFKIDTQBD-ZDUSSCGKSA-N 0 0 303.366 0.926 50 0 DCAARN CCN1C[C@H](NS(=O)(=O)c2ccc3[nH]cnc3c2)CC1=O ZINC000823102376 758223952 /nfs/dbraw/zinc/22/39/52/758223952.db2.gz HKSLMCWTKCJEKL-SECBINFHSA-N 0 0 308.363 0.462 50 0 DCAARN CN1CCN(S(=O)(=O)NCCCC[C@@H]2CCCO2)CC1 ZINC000823791266 758275859 /nfs/dbraw/zinc/27/58/59/758275859.db2.gz PZMIWNDGAAEEPZ-CYBMUJFWSA-N 0 0 305.444 0.418 50 0 DCAARN Cc1nc2cc(CNS(=O)(=O)N3CCOCC3)ccc2[nH]1 ZINC000825277065 758801989 /nfs/dbraw/zinc/80/19/89/758801989.db2.gz ZHFNYISXAUXSOR-UHFFFAOYSA-N 0 0 310.379 0.538 50 0 DCAARN O=C(Cn1cccn1)NC[C@@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000827861572 758889227 /nfs/dbraw/zinc/88/92/27/758889227.db2.gz VMEQFVHFVMGGOH-ZDUSSCGKSA-N 0 0 302.382 0.635 50 0 DCAARN CC(C)(C)[C@H](Cn1ccnc1)NC(=O)CCCS(N)(=O)=O ZINC000827984552 758906223 /nfs/dbraw/zinc/90/62/23/758906223.db2.gz YOSDTODOXKJNTD-NSHDSACASA-N 0 0 316.427 0.483 50 0 DCAARN Cc1ncn(C)c1C(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000827987453 758907286 /nfs/dbraw/zinc/90/72/86/758907286.db2.gz NUIPMISTKWZTKD-UHFFFAOYSA-N 0 0 321.425 0.401 50 0 DCAARN Cc1nc[nH]c1C(=O)NC[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC000828132048 758931488 /nfs/dbraw/zinc/93/14/88/758931488.db2.gz YNUOBOBZQOJNKC-SNVBAGLBSA-N 0 0 317.353 0.118 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2cn[nH]c2)c1 ZINC000828172110 758937544 /nfs/dbraw/zinc/93/75/44/758937544.db2.gz MBGWJUVPSQGJBI-CYBMUJFWSA-N 0 0 305.359 0.994 50 0 DCAARN O=C1NC2(CCOCC2)C(=O)N[C@@H]1Cc1c[nH]c2ccccc12 ZINC000828301594 758976531 /nfs/dbraw/zinc/97/65/31/758976531.db2.gz YEEMRYGPEDQYHG-CQSZACIVSA-N 0 0 313.357 0.874 50 0 DCAARN O=S(=O)(c1cccc2nsnc21)N1CC(n2nccn2)C1 ZINC000888107213 765411561 /nfs/dbraw/zinc/41/15/61/765411561.db2.gz YYLRWPMHFPVSFH-UHFFFAOYSA-N 0 0 322.375 0.528 50 0 DCAARN CN(CC(=O)N1CCSC[C@@H]1C(C)(C)C)S(C)(=O)=O ZINC000585124447 766288169 /nfs/dbraw/zinc/28/81/69/766288169.db2.gz DJMAUZVSMACAGF-SNVBAGLBSA-N 0 0 308.469 0.868 50 0 DCAARN CCCCNC(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 ZINC000585135174 766292047 /nfs/dbraw/zinc/29/20/47/766292047.db2.gz FOGLNPAGANVPOB-CYBMUJFWSA-N 0 0 317.455 0.691 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCCCN1C(=O)N1CCSCC1 ZINC000585135245 766292828 /nfs/dbraw/zinc/29/28/28/766292828.db2.gz YPSDWVAFBMIUIO-JTQLQIEISA-N 0 0 307.441 0.298 50 0 DCAARN O=C(NCCCO)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl ZINC001529121009 1014498914 /nfs/dbraw/zinc/49/89/14/1014498914.db2.gz XXQHOLKCCDMQGG-OLZOCXBDSA-N 0 0 312.753 0.395 50 0 DCAARN CCc1c(C)nn(C)c1NC(=O)[C@@H]1CCc2nn(C)c(=O)n2C1 ZINC001529173350 1014513143 /nfs/dbraw/zinc/51/31/43/1014513143.db2.gz VIBXHPFPCCHSDE-SNVBAGLBSA-N 0 0 318.381 0.387 50 0 DCAARN Cc1csc(CN(C)S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)n1 ZINC001506402330 1017255440 /nfs/dbraw/zinc/25/54/40/1017255440.db2.gz WWLFVTSBKZBDLS-SECBINFHSA-N 0 0 324.449 0.400 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)c2c(C)nc3sccn32)cn1 ZINC001506405652 1017256394 /nfs/dbraw/zinc/25/63/94/1017256394.db2.gz NDOKAJVYYLPJQC-UHFFFAOYSA-N 0 0 318.362 0.899 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)c2c(C)cc(C)n(C)c2=O)cn1 ZINC001506410508 1017260218 /nfs/dbraw/zinc/26/02/18/1017260218.db2.gz LNXPZRCWLAKKPN-UHFFFAOYSA-N 0 0 317.349 0.197 50 0 DCAARN CCc1noc(CN(C)c2nccc(N3CC[C@@H](O)C3)n2)n1 ZINC001506428474 1017269196 /nfs/dbraw/zinc/26/91/96/1017269196.db2.gz PFEUHYSNMQXPCD-SNVBAGLBSA-N 0 0 304.354 0.629 50 0 DCAARN O=C([O-])[C@H]1CN(C(=O)C2CC[NH+](Cc3ccco3)CC2)CCO1 ZINC001506430434 1017270681 /nfs/dbraw/zinc/27/06/81/1017270681.db2.gz AYWDEBKPLYLQPN-CQSZACIVSA-N 0 0 322.361 0.804 50 0 DCAARN CN(C)c1cncc(O[C@H]2CCN(C(=O)Cn3cccn3)C2)n1 ZINC000225402814 201701986 /nfs/dbraw/zinc/70/19/86/201701986.db2.gz QWHHBMIJKLSDIO-LBPRGKRZSA-N 0 0 316.365 0.419 50 0 DCAARN COC(=O)c1ncn(Cc2cccc(S(=O)(=O)N(C)C)c2)n1 ZINC000078995566 185142954 /nfs/dbraw/zinc/14/29/54/185142954.db2.gz DGUHVPCMRVHJFS-UHFFFAOYSA-N 0 0 324.362 0.363 50 0 DCAARN Cn1c(CCNC(=O)c2ccc(=O)n(C)n2)nc2ccccc21 ZINC000079310236 185164216 /nfs/dbraw/zinc/16/42/16/185164216.db2.gz FGUCZPPUVVKHAX-UHFFFAOYSA-N 0 0 311.345 0.640 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)C1(c2cccc(F)c2)CC1 ZINC000079361440 185167119 /nfs/dbraw/zinc/16/71/19/185167119.db2.gz HHTYIINIMVBRQX-UHFFFAOYSA-N 0 0 314.382 0.913 50 0 DCAARN CC[C@@H](CO)NC(=O)[C@@H]1[C@@H](C)OCCN1C(=O)OC(C)(C)C ZINC000408516479 529514002 /nfs/dbraw/zinc/51/40/02/529514002.db2.gz PGAZQCWUNPEWDZ-WOPDTQHZSA-N 0 0 316.398 0.898 50 0 DCAARN O=C(c1cnn2c1CCCC2)N1CC[C@@]2(CC(=O)NC2=O)C1 ZINC000082115311 192357430 /nfs/dbraw/zinc/35/74/30/192357430.db2.gz QGLHNPMXKXMQIK-OAHLLOKOSA-N 0 0 302.334 0.098 50 0 DCAARN Cc1nc([C@@H]2CCCN(C(=O)CCn3cncn3)C2)cc(=O)[nH]1 ZINC000082126064 192359714 /nfs/dbraw/zinc/35/97/14/192359714.db2.gz IAUFBYFOHKLEMP-GFCCVEGCSA-N 0 0 316.365 0.466 50 0 DCAARN CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc3cn[nH]c32)C1 ZINC000092771384 185339588 /nfs/dbraw/zinc/33/95/88/185339588.db2.gz PCEABROHMYMVSM-LLVKDONJSA-N 0 0 322.390 0.717 50 0 DCAARN Cc1nc[nH]c1C[NH+]1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C ZINC000095391970 185351807 /nfs/dbraw/zinc/35/18/07/185351807.db2.gz DILWGVHRGMVKBM-LLVKDONJSA-N 0 0 306.366 0.616 50 0 DCAARN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2ccnc2)nc1 ZINC000095451867 185369139 /nfs/dbraw/zinc/36/91/39/185369139.db2.gz KSJHMKIFSAIGHW-CHWSQXEVSA-N 0 0 313.361 0.912 50 0 DCAARN CCc1n[nH]c(=O)c(CNC(=O)NCc2ccnn2C)c1CC ZINC000095436854 185365263 /nfs/dbraw/zinc/36/52/63/185365263.db2.gz QBSDRJOBCYHAIA-UHFFFAOYSA-N 0 0 318.381 0.628 50 0 DCAARN Cc1nnc2n1C[C@@H](NC(=O)c1c(C)c(C)n[nH]c1=O)CC2 ZINC000097199044 282356402 /nfs/dbraw/zinc/35/64/02/282356402.db2.gz VKYLEJPDYLCADT-JTQLQIEISA-N 0 0 302.338 0.444 50 0 DCAARN COCC[C@@H]1COCCN1C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000330916739 232161019 /nfs/dbraw/zinc/16/10/19/232161019.db2.gz LCZFODLVSOGQCK-NWDGAFQWSA-N 0 0 300.399 0.801 50 0 DCAARN O=C(O[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCNC2=O)cc1 ZINC000069778422 190816761 /nfs/dbraw/zinc/81/67/61/190816761.db2.gz QBDOIVIWANFJIW-LBPRGKRZSA-N 0 0 324.358 0.560 50 0 DCAARN COc1cc(C)nc(N2CCN(C(=O)c3c[nH]cn3)CC2)n1 ZINC000069779751 190818143 /nfs/dbraw/zinc/81/81/43/190818143.db2.gz MPARCITWRDEUSK-UHFFFAOYSA-N 0 0 302.338 0.479 50 0 DCAARN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@H]1CCCCNC1=O ZINC000080578215 192168334 /nfs/dbraw/zinc/16/83/34/192168334.db2.gz HOSWTXKUFXMCTP-HZMBPMFUSA-N 0 0 321.425 0.936 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)c3ccnc(C)n3)CCO2)[nH]1 ZINC000083830029 192384731 /nfs/dbraw/zinc/38/47/31/192384731.db2.gz VPWXNRQGGRUGAL-NSHDSACASA-N 0 0 302.338 0.679 50 0 DCAARN CCN1C[C@@H](NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)CC1=O ZINC000071735815 191017930 /nfs/dbraw/zinc/01/79/30/191017930.db2.gz UUOMEXHCWHEZMA-NSHDSACASA-N 0 0 317.345 0.392 50 0 DCAARN Cn1ccc(NC(=O)CN2CCC[C@]3(CNC(=O)O3)CC2)n1 ZINC000072125467 191042041 /nfs/dbraw/zinc/04/20/41/191042041.db2.gz POHVJFTXPYCWBM-CQSZACIVSA-N 0 0 307.354 0.323 50 0 DCAARN CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)C ZINC000072127214 191042449 /nfs/dbraw/zinc/04/24/49/191042449.db2.gz PFWAZEZDUCXDSL-AWEZNQCLSA-N 0 0 319.405 0.864 50 0 DCAARN O=C(c1[nH]cnc1-c1ccccc1)N1CC[C@H](CO)[C@H](O)C1 ZINC000072128277 191042804 /nfs/dbraw/zinc/04/28/04/191042804.db2.gz YTEKJGVZYATCPP-CHWSQXEVSA-N 0 0 301.346 0.892 50 0 DCAARN Cn1ncc(N2CCO[C@H](CCNC(=O)C3(C)CC3)C2)cc1=O ZINC000072129063 191043047 /nfs/dbraw/zinc/04/30/47/191043047.db2.gz SJMYEODYFLMDSO-CYBMUJFWSA-N 0 0 320.393 0.292 50 0 DCAARN CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)C ZINC000072127215 191043199 /nfs/dbraw/zinc/04/31/99/191043199.db2.gz PFWAZEZDUCXDSL-CQSZACIVSA-N 0 0 319.405 0.864 50 0 DCAARN Cc1c(Cl)c(C(=O)N2CCC[C@@](O)(CO)CC2)nn1C ZINC000072128377 191043661 /nfs/dbraw/zinc/04/36/61/191043661.db2.gz FTGDKGLXINCBCA-ZDUSSCGKSA-N 0 0 301.774 0.731 50 0 DCAARN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCn2cncc2C1 ZINC000072133543 191044887 /nfs/dbraw/zinc/04/48/87/191044887.db2.gz WHLBPKCPTJJVOO-UHFFFAOYSA-N 0 0 315.786 0.783 50 0 DCAARN CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F ZINC000072135492 191046202 /nfs/dbraw/zinc/04/62/02/191046202.db2.gz QBMUEGRQLMKVOT-GFCCVEGCSA-N 0 0 311.332 0.791 50 0 DCAARN CN1C[C@]2(CCN(C(=O)CCc3csc(N)n3)C2)OC1=O ZINC000072148064 191054575 /nfs/dbraw/zinc/05/45/75/191054575.db2.gz RRFOJXUNGFKLBB-ZDUSSCGKSA-N 0 0 310.379 0.711 50 0 DCAARN COCc1nc2c(cnn2C)c(NCCSc2c[nH]nn2)n1 ZINC000072152748 191057588 /nfs/dbraw/zinc/05/75/88/191057588.db2.gz CMKVLCVQUIBIEI-UHFFFAOYSA-N 0 0 320.382 0.832 50 0 DCAARN O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC000072163069 191064131 /nfs/dbraw/zinc/06/41/31/191064131.db2.gz GANGEGAWCAOMFX-APPZFPTMSA-N 0 0 320.267 0.621 50 0 DCAARN c1c(-c2nc(CN3CCOCC3)no2)nnn1C[C@H]1CCCO1 ZINC000072172418 191069753 /nfs/dbraw/zinc/06/97/53/191069753.db2.gz RTOGQLJRKUINRG-LLVKDONJSA-N 0 0 320.353 0.339 50 0 DCAARN CC(C)CS(=O)(=O)CC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000072234902 191079310 /nfs/dbraw/zinc/07/93/10/191079310.db2.gz LAATTZHUWFEDEZ-GFCCVEGCSA-N 0 0 314.411 0.512 50 0 DCAARN CC(C)n1nnnc1CNC(=O)[C@H]1COc2ccccc2O1 ZINC000072239346 191082711 /nfs/dbraw/zinc/08/27/11/191082711.db2.gz MTJVOKYMOHRWOS-GFCCVEGCSA-N 0 0 303.322 0.710 50 0 DCAARN CC(C)N1C[C@@H](C(=O)N2CCC[C@@H](n3cncn3)C2)CC1=O ZINC000072234838 191079421 /nfs/dbraw/zinc/07/94/21/191079421.db2.gz JNVUMQDKJFXUMJ-QWHCGFSZSA-N 0 0 305.382 0.699 50 0 DCAARN COCc1cccc(S(=O)(=O)NCCN2CCOCC2)c1 ZINC000072240304 191083874 /nfs/dbraw/zinc/08/38/74/191083874.db2.gz HTAPENRQPBYIPE-UHFFFAOYSA-N 0 0 314.407 0.444 50 0 DCAARN Cc1nc(C)n(C[C@H]2CN(Cc3nnnn3C3CC3)CCO2)n1 ZINC000072253488 191086830 /nfs/dbraw/zinc/08/68/30/191086830.db2.gz KMPJPBRINXDFQK-CYBMUJFWSA-N 0 0 318.385 0.117 50 0 DCAARN CC(=O)Nc1nc(CN2CCO[C@H](Cn3cncn3)C2)cs1 ZINC000072253361 191087788 /nfs/dbraw/zinc/08/77/88/191087788.db2.gz CJATWXOHNZSEFX-LBPRGKRZSA-N 0 0 322.394 0.594 50 0 DCAARN Cc1nc([C@@H]2CCCN2CCCS(=O)(=O)N(C)C)no1 ZINC000072255167 191088544 /nfs/dbraw/zinc/08/85/44/191088544.db2.gz QZXYNAJPXHLCLQ-NSHDSACASA-N 0 0 302.400 0.796 50 0 DCAARN Cc1n[nH]c(C)c1NC(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000072267577 191091791 /nfs/dbraw/zinc/09/17/91/191091791.db2.gz XLDRFGOWLGNXCV-ZDUSSCGKSA-N 0 0 318.381 0.563 50 0 DCAARN NC(=O)[C@H]1CCCN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000072275997 191096383 /nfs/dbraw/zinc/09/63/83/191096383.db2.gz OEJNSUZEJFEMML-RYUDHWBXSA-N 0 0 305.382 0.139 50 0 DCAARN NC(=O)c1ccn(-c2ccccc2NC(=O)Cn2cccn2)n1 ZINC000072284870 191103517 /nfs/dbraw/zinc/10/35/17/191103517.db2.gz RLVOZOUKMDOQKS-UHFFFAOYSA-N 0 0 310.317 0.806 50 0 DCAARN COCCN1CCCN(C(=O)c2cn(C(C)C)cn2)CC1=O ZINC000253395725 186304779 /nfs/dbraw/zinc/30/47/79/186304779.db2.gz QHPAJJBVDSTUFT-UHFFFAOYSA-N 0 0 308.382 0.785 50 0 DCAARN Cc1nc(S(=O)(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)cn1C ZINC000253402740 186307187 /nfs/dbraw/zinc/30/71/87/186307187.db2.gz OPVGGBFWESAZHN-UTUOFQBUSA-N 0 0 315.395 0.343 50 0 DCAARN COc1ccc(OC)c(CC(=O)N2CCOC[C@H]2CC(N)=O)c1 ZINC000072421300 191158474 /nfs/dbraw/zinc/15/84/74/191158474.db2.gz DTUXCOZSOZUFDJ-GFCCVEGCSA-N 0 0 322.361 0.349 50 0 DCAARN C[C@H]1COCCN1C(=O)CCN1C(=O)NC2(CCCCC2)C1=O ZINC000033050323 290953122 /nfs/dbraw/zinc/95/31/22/290953122.db2.gz JOHPDJLOSPRQMM-LBPRGKRZSA-N 0 0 323.393 0.879 50 0 DCAARN CCC(C)(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000072437278 191166228 /nfs/dbraw/zinc/16/62/28/191166228.db2.gz BJGBNSBJUJFURS-LLVKDONJSA-N 0 0 305.444 0.810 50 0 DCAARN CC[C@@]1(O)CCN(C(=O)c2sc(OC)nc2C)C[C@H]1O ZINC000072457106 191172867 /nfs/dbraw/zinc/17/28/67/191172867.db2.gz LWWULYITRLNZJD-NOZJJQNGSA-N 0 0 300.380 0.808 50 0 DCAARN CCCn1nnnc1CN1CCNC(=O)[C@@H]1c1cccs1 ZINC000072799179 191229896 /nfs/dbraw/zinc/22/98/96/191229896.db2.gz TWSZHQLPCAREBH-LBPRGKRZSA-N 0 0 306.395 0.818 50 0 DCAARN CCOc1ccc(C(=O)CC[NH2+][C@@H](CC(N)=O)C(=O)[O-])cc1 ZINC000002922190 180971001 /nfs/dbraw/zinc/97/10/01/180971001.db2.gz OKYWQBFLQXCLLD-LBPRGKRZSA-N 0 0 308.334 0.576 50 0 DCAARN COC(=O)c1ccccc1NC(=O)COC(=O)C1=COCCO1 ZINC000003239471 180995166 /nfs/dbraw/zinc/99/51/66/180995166.db2.gz SFPGFOSGWHRGEE-UHFFFAOYSA-N 0 0 321.285 0.843 50 0 DCAARN O=C(CN1C(=O)c2ccccc2C1=O)NC1CCC(O)CC1 ZINC000003333999 181007977 /nfs/dbraw/zinc/00/79/77/181007977.db2.gz GVTMGNWHKUDLFJ-UHFFFAOYSA-N 0 0 302.330 0.702 50 0 DCAARN CCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000003459980 181023234 /nfs/dbraw/zinc/02/32/34/181023234.db2.gz NNUYAWIKKKNQIF-HNNXBMFYSA-N 0 0 318.333 0.299 50 0 DCAARN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCOCC2)c1C ZINC000003587326 181036896 /nfs/dbraw/zinc/03/68/96/181036896.db2.gz HGSRDNLYJLYMGX-UHFFFAOYSA-N 0 0 308.334 0.850 50 0 DCAARN CC(C)(C)NC(=O)CCN(N)C1=NS(=O)(=O)c2ccccc21 ZINC000003671133 181044158 /nfs/dbraw/zinc/04/41/58/181044158.db2.gz GGBGKPSCTBHJSK-UHFFFAOYSA-N 0 0 324.406 0.616 50 0 DCAARN CCOC(=O)CNC(=O)Cn1c(C)cc2ccccc2c1=O ZINC000003654763 181044350 /nfs/dbraw/zinc/04/43/50/181044350.db2.gz NXBPOPIEDGTTNV-UHFFFAOYSA-N 0 0 302.330 0.989 50 0 DCAARN C[C@@H](Oc1ccccc1F)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000003905852 181055611 /nfs/dbraw/zinc/05/56/11/181055611.db2.gz KCLVXHCFONOWPE-ZJUUUORDSA-N 0 0 301.339 0.896 50 0 DCAARN COCCNC(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000004192984 181083967 /nfs/dbraw/zinc/08/39/67/181083967.db2.gz YDERXNZKYNZJEI-UHFFFAOYSA-N 0 0 316.379 0.224 50 0 DCAARN CCn1c(=O)c2c(nc3n2cc(C)n3CCOC)n(C)c1=O ZINC000004251041 181088740 /nfs/dbraw/zinc/08/87/40/181088740.db2.gz FGAAWNXIDFKKHG-UHFFFAOYSA-N 0 0 305.338 0.124 50 0 DCAARN COC(=O)Cn1cnc2c(nnn2Cc2ccccc2F)c1=O ZINC000004266581 181090391 /nfs/dbraw/zinc/09/03/91/181090391.db2.gz UNGGMPCQSZNHND-UHFFFAOYSA-N 0 0 317.280 0.348 50 0 DCAARN CC(C)(C)C(=O)COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O ZINC000004278348 181091511 /nfs/dbraw/zinc/09/15/11/181091511.db2.gz HSGHBSPPFHYNSZ-UHFFFAOYSA-N 0 0 318.329 0.848 50 0 DCAARN CCN1CCN(CC(=O)Nc2ccc3c(c2)OCO3)C(=O)C1=O ZINC000004326337 181097758 /nfs/dbraw/zinc/09/77/58/181097758.db2.gz CSQPLTJCNGWBKP-UHFFFAOYSA-N 0 0 319.317 0.045 50 0 DCAARN COc1ccc(OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004504781 181117120 /nfs/dbraw/zinc/11/71/20/181117120.db2.gz GGLCKKHXWAVUPW-NSHDSACASA-N 0 0 313.375 0.720 50 0 DCAARN COCCCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000004597918 181128959 /nfs/dbraw/zinc/12/89/59/181128959.db2.gz XZZCSSJZKNNRCW-UHFFFAOYSA-N 0 0 300.336 0.332 50 0 DCAARN CCC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(N)=O ZINC000004762831 181149270 /nfs/dbraw/zinc/14/92/70/181149270.db2.gz QDNOGGLIFLTIPX-LBPRGKRZSA-N 0 0 307.350 0.683 50 0 DCAARN Cn1nnnc1SCC(=O)N1CCC(c2ccccc2)=N1 ZINC000004807951 181153655 /nfs/dbraw/zinc/15/36/55/181153655.db2.gz KJXLZOCKSXJFNW-UHFFFAOYSA-N 0 0 302.363 0.939 50 0 DCAARN CCOC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000004814317 181155190 /nfs/dbraw/zinc/15/51/90/181155190.db2.gz MECXWWUVXIOSGL-UHFFFAOYSA-N 0 0 306.318 0.661 50 0 DCAARN COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NC1CC1 ZINC000004867393 181165964 /nfs/dbraw/zinc/16/59/64/181165964.db2.gz VVFYCAFFBUTICS-SNVBAGLBSA-N 0 0 312.391 0.949 50 0 DCAARN C[C@H](O)Cn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004911627 181172145 /nfs/dbraw/zinc/17/21/45/181172145.db2.gz DLTJJYZFXJYNGE-VIFPVBQESA-N 0 0 321.381 0.549 50 0 DCAARN CCCNS(=O)(=O)CCNC(=O)c1ccc(OC)cc1 ZINC000004940956 181176265 /nfs/dbraw/zinc/17/62/65/181176265.db2.gz BKOJJVUBGAABJK-UHFFFAOYSA-N 0 0 300.380 0.754 50 0 DCAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)OC ZINC000004942100 181176330 /nfs/dbraw/zinc/17/63/30/181176330.db2.gz DIUPURYRKJNQOS-UHFFFAOYSA-N 0 0 323.374 0.460 50 0 DCAARN CC[C@@H](C(=O)NCCOC)n1cc(-c2nc(C)no2)ccc1=O ZINC000075165636 191438367 /nfs/dbraw/zinc/43/83/67/191438367.db2.gz CMEQGUXCJOZBLB-LBPRGKRZSA-N 0 0 320.349 0.920 50 0 DCAARN CC(C)n1cnnc1CN(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000077287776 191687157 /nfs/dbraw/zinc/68/71/57/191687157.db2.gz WOUAQIZREKXEGG-UHFFFAOYSA-N 0 0 322.369 0.148 50 0 DCAARN O=C(N[C@@H]1CCN(C(=O)c2cc[nH]c2)C[C@H]1O)c1ccccn1 ZINC000077377012 191702293 /nfs/dbraw/zinc/70/22/93/191702293.db2.gz NCJKGMSSHMIGMN-TZMCWYRMSA-N 0 0 314.345 0.415 50 0 DCAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2nonc2N)n1 ZINC000005156593 181210759 /nfs/dbraw/zinc/21/07/59/181210759.db2.gz IZCANIIOFCOBSJ-UHFFFAOYSA-N 0 0 310.339 0.418 50 0 DCAARN Cc1noc(C)c1C(=O)OCC(=O)N1CCC(C(N)=O)CC1 ZINC000005198554 181215516 /nfs/dbraw/zinc/21/55/16/181215516.db2.gz XRJYYKQYUZUYME-UHFFFAOYSA-N 0 0 309.322 0.172 50 0 DCAARN CNC(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000005536092 181254383 /nfs/dbraw/zinc/25/43/83/181254383.db2.gz HXNXPVIRNMZUEP-UHFFFAOYSA-N 0 0 305.739 0.646 50 0 DCAARN NC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000005731453 181277869 /nfs/dbraw/zinc/27/78/69/181277869.db2.gz MLZJDHFHGJFLBQ-DGCLKSJQSA-N 0 0 301.346 0.516 50 0 DCAARN CCOc1ccccc1N1CCN(C(=O)[C@H]2COCCN2)CC1 ZINC000236954381 202090929 /nfs/dbraw/zinc/09/09/29/202090929.db2.gz UZMPVYGOVGXWPS-CQSZACIVSA-N 0 0 319.405 0.722 50 0 DCAARN NC(=O)C1CCN(CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000023381840 283282790 /nfs/dbraw/zinc/28/27/90/283282790.db2.gz MNGSAGRNRLLTDA-UHFFFAOYSA-N 0 0 308.382 0.396 50 0 DCAARN NC(=O)NC(=O)CN1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000068453413 283303713 /nfs/dbraw/zinc/30/37/13/283303713.db2.gz YQBXSAHVRFEIRN-UHFFFAOYSA-N 0 0 316.365 0.270 50 0 DCAARN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@]1(O)CCOC1 ZINC000179649665 199069757 /nfs/dbraw/zinc/06/97/57/199069757.db2.gz ATOCQMOCMSAAPX-AWEZNQCLSA-N 0 0 312.753 0.855 50 0 DCAARN Cc1ccc(C(=O)N2CCN([C@@H]3CCNC3=O)CC2)cc1F ZINC000089643371 192834338 /nfs/dbraw/zinc/83/43/38/192834338.db2.gz NFKNHUXNBRFMKZ-CQSZACIVSA-N 0 0 305.353 0.780 50 0 DCAARN CCc1nc(CN2CCN(c3ccc4nccn4n3)CC2)no1 ZINC000243885913 202478188 /nfs/dbraw/zinc/47/81/88/202478188.db2.gz ADXHUTQXGFNVDN-UHFFFAOYSA-N 0 0 313.365 0.997 50 0 DCAARN O=S(=O)(NCCn1ccc(-c2cnccn2)n1)N1CCCC1 ZINC000238829968 238157759 /nfs/dbraw/zinc/15/77/59/238157759.db2.gz FREDHDQNCYJUTG-UHFFFAOYSA-N 0 0 322.394 0.270 50 0 DCAARN Cc1c(OCC(=O)Nc2ccc(C(N)=O)cc2)c(=O)ccn1C ZINC000263585924 238187545 /nfs/dbraw/zinc/18/75/45/238187545.db2.gz NXNYSAVNNRXKKV-UHFFFAOYSA-N 0 0 315.329 0.810 50 0 biogenic DCAARN C[C@H](c1nnnn1C1CC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000192060706 200811339 /nfs/dbraw/zinc/81/13/39/200811339.db2.gz PPWNGIYJCGQCSM-SNVBAGLBSA-N 0 0 316.369 0.151 50 0 DCAARN CC(C)OC(=O)CCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000089936747 192911294 /nfs/dbraw/zinc/91/12/94/192911294.db2.gz XCBGHDXVURLJKC-PHIMTYICSA-N 0 0 308.400 0.272 50 0 DCAARN C[C@H]1CN(C(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)CCO1 ZINC000089939479 192915212 /nfs/dbraw/zinc/91/52/12/192915212.db2.gz PNJAUTFSRKFQOJ-ZFWWWQNUSA-N 0 0 318.373 0.661 50 0 DCAARN CC(=O)Nc1ccc(C(=O)OCC(=O)N2CCOCC2)cc1 ZINC000006348195 181333382 /nfs/dbraw/zinc/33/33/82/181333382.db2.gz SVDOYFCVTYYFHT-UHFFFAOYSA-N 0 0 306.318 0.661 50 0 DCAARN COc1ccc(C(=O)NC(=O)CSc2nc(N)n[nH]2)cc1 ZINC000006441466 181341474 /nfs/dbraw/zinc/34/14/74/181341474.db2.gz XFYMWAUQTCKEKF-UHFFFAOYSA-N 0 0 307.335 0.444 50 0 DCAARN C[C@@H](NC(=O)COCc1ccccc1)C(=O)N1CCOCC1 ZINC000058214139 296050128 /nfs/dbraw/zinc/05/01/28/296050128.db2.gz NIBGHLZVUKQZPX-CYBMUJFWSA-N 0 0 306.362 0.567 50 0 DCAARN CNC(=O)CSc1nc2ccccc2c(=O)n1CCOC ZINC000006637267 181363264 /nfs/dbraw/zinc/36/32/64/181363264.db2.gz GKZUEPMEVZWJBG-UHFFFAOYSA-N 0 0 307.375 0.881 50 0 DCAARN COc1cccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000006730484 181378453 /nfs/dbraw/zinc/37/84/53/181378453.db2.gz WWHMUMRGEZTJLZ-UHFFFAOYSA-N 0 0 313.379 0.804 50 0 DCAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCOCC1 ZINC000006745859 181381741 /nfs/dbraw/zinc/38/17/41/181381741.db2.gz CQUNPOFYMUTQFA-UHFFFAOYSA-N 0 0 314.363 0.675 50 0 DCAARN Cc1nccn1Cc1nnc(C2CCN(CC(N)=O)CC2)n1C ZINC000091452467 193058207 /nfs/dbraw/zinc/05/82/07/193058207.db2.gz GYEKORDYSKJFDD-UHFFFAOYSA-N 0 0 317.397 0.033 50 0 DCAARN Cc1cc(C)n(CC(=O)N2C[C@@H](C)[C@](O)(C3CC3)C2)c(=O)n1 ZINC000091535345 193071029 /nfs/dbraw/zinc/07/10/29/193071029.db2.gz ORMDBLHPCLKAHK-HWPZZCPQSA-N 0 0 305.378 0.480 50 0 DCAARN O=C(CN1C(=O)CNC1=O)N1CCC(c2ccncc2)CC1 ZINC000091586872 193075298 /nfs/dbraw/zinc/07/52/98/193075298.db2.gz RGBXEZHNPFZJQZ-UHFFFAOYSA-N 0 0 302.334 0.339 50 0 DCAARN Cc1nn(C)c(C)c1CCCNC(=O)NCC(=O)N1CCCC1 ZINC000091597287 193077349 /nfs/dbraw/zinc/07/73/49/193077349.db2.gz MIGDQFRIMKVMQZ-UHFFFAOYSA-N 0 0 321.425 0.891 50 0 DCAARN Cc1ccc([C@H](C(=O)NCc2cc(=O)[nH]cn2)N(C)C)cc1 ZINC000091594081 193078222 /nfs/dbraw/zinc/07/82/22/193078222.db2.gz SPAQPEPUYYTGPN-OAHLLOKOSA-N 0 0 300.362 0.997 50 0 DCAARN Cc1cc(C)n(CCNC(=O)c2c(C)cc(C)[nH]c2=O)c(=O)n1 ZINC000091604760 193078603 /nfs/dbraw/zinc/07/86/03/193078603.db2.gz GTFFFLXJFLRNJP-UHFFFAOYSA-N 0 0 316.361 0.595 50 0 DCAARN COCc1nc(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)no1 ZINC000091474887 193061335 /nfs/dbraw/zinc/06/13/35/193061335.db2.gz XDBNAFQELAOJCA-JTQLQIEISA-N 0 0 322.365 0.623 50 0 DCAARN Cc1nnsc1CN1C[C@H]2CC[C@@H]1CN(CC(=O)N(C)C)C2 ZINC000091644400 193083919 /nfs/dbraw/zinc/08/39/19/193083919.db2.gz PXKRMPQJWVQJQY-QWHCGFSZSA-N 0 0 323.466 0.831 50 0 DCAARN COc1ccc2c(c1)OC[C@H](CNC(=O)CCNC(C)=O)C2 ZINC000091793781 193108975 /nfs/dbraw/zinc/10/89/75/193108975.db2.gz QDJQLISUHBCHIY-LBPRGKRZSA-N 0 0 306.362 0.889 50 0 DCAARN CC(C)c1nc(CCNC(=O)CN2C(=O)CNC2=O)cs1 ZINC000092065349 193151214 /nfs/dbraw/zinc/15/12/14/193151214.db2.gz FNFISCHXYRRXPV-UHFFFAOYSA-N 0 0 310.379 0.477 50 0 DCAARN CC(=O)c1c(C)nn(CC(=O)NCCOc2nonc2C)c1C ZINC000218917459 201546347 /nfs/dbraw/zinc/54/63/47/201546347.db2.gz DRMGXDRBNAPNRJ-UHFFFAOYSA-N 0 0 321.337 0.589 50 0 DCAARN O=C([C@H]1CCCO1)N1CCN(C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000191921244 296111993 /nfs/dbraw/zinc/11/19/93/296111993.db2.gz OTIFYJNIRIRHOZ-UONOGXRCSA-N 0 0 322.405 0.795 50 0 DCAARN O=C(COC[C@@H]1CCCCO1)NCCSc1nc[nH]n1 ZINC000221357571 201587856 /nfs/dbraw/zinc/58/78/56/201587856.db2.gz DQODSMVFYIIIBI-JTQLQIEISA-N 0 0 300.384 0.599 50 0 DCAARN O=C(COC[C@@H]1CCCO1)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000222396148 201609069 /nfs/dbraw/zinc/60/90/69/201609069.db2.gz LVDDQNGUSGGOSE-NSHDSACASA-N 0 0 305.334 0.668 50 0 DCAARN CNC(=O)[C@H]1CCCN(C(=O)c2[nH]c(=O)nc3ccccc32)C1 ZINC000223227908 201637602 /nfs/dbraw/zinc/63/76/02/201637602.db2.gz ZHGWOGABBXSFIC-JTQLQIEISA-N 0 0 314.345 0.521 50 0 DCAARN CC(C)(C)N1C[C@@H](CNC(=O)CCCn2cncn2)CC1=O ZINC000223335998 201640990 /nfs/dbraw/zinc/64/09/90/201640990.db2.gz JPRGUEBOOJBZPQ-GFCCVEGCSA-N 0 0 307.398 0.822 50 0 DCAARN CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CCn1cnnn1 ZINC000223695702 201653534 /nfs/dbraw/zinc/65/35/34/201653534.db2.gz ZZXKCKQSMHNERA-CHWSQXEVSA-N 0 0 309.370 0.320 50 0 DCAARN COC(=O)[C@@H](C)NC(=O)c1ccc(C)c(C)c1-n1cnnn1 ZINC000252497404 202851914 /nfs/dbraw/zinc/85/19/14/202851914.db2.gz QGPQJSDCBHDTCE-SNVBAGLBSA-N 0 0 303.322 0.570 50 0 DCAARN Cc1ccnn1CCC(=O)N[C@H]1C[C@H](c2nnc(CO)n2C)C1 ZINC000252568997 202867206 /nfs/dbraw/zinc/86/72/06/202867206.db2.gz VTHMOKIKEHXNNP-HAQNSBGRSA-N 0 0 318.381 0.265 50 0 DCAARN Cc1ccc(C(=O)NCCS(N)(=O)=O)cc1Br ZINC000093220934 193217851 /nfs/dbraw/zinc/21/78/51/193217851.db2.gz IBRMIEHRGLWARV-UHFFFAOYSA-N 0 0 321.196 0.776 50 0 DCAARN COCC(=O)N1CCC(C(=O)N2CCc3n[nH]cc3C2)CC1 ZINC000095384595 193440904 /nfs/dbraw/zinc/44/09/04/193440904.db2.gz RDNONZCGLREZDG-UHFFFAOYSA-N 0 0 306.366 0.179 50 0 DCAARN Cc1cc(C)cc(-n2nc(CC(N)=O)nc2Cn2ccnn2)c1 ZINC000096153304 193553652 /nfs/dbraw/zinc/55/36/52/193553652.db2.gz LBUBVQYGTULGGG-UHFFFAOYSA-N 0 0 311.349 0.552 50 0 DCAARN CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000008889256 181590011 /nfs/dbraw/zinc/59/00/11/181590011.db2.gz XISJOXXQNSFBLM-OAHLLOKOSA-N 0 0 305.334 0.598 50 0 DCAARN Cn1c(CCC(N)=O)nnc1SCc1ccc(C(N)=O)cc1 ZINC000012815764 181801098 /nfs/dbraw/zinc/80/10/98/181801098.db2.gz IBPAJUNJKDACQM-UHFFFAOYSA-N 0 0 319.390 0.624 50 0 DCAARN CNC1=C([N+](=O)[O-])CC([N+](=O)[O-])=C(NCc2ccccn2)N1C ZINC000012950099 181814864 /nfs/dbraw/zinc/81/48/64/181814864.db2.gz SNSJIFKQISDLMZ-UHFFFAOYSA-N 0 0 320.309 0.618 50 0 DCAARN COCCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000013017441 181824108 /nfs/dbraw/zinc/82/41/08/181824108.db2.gz UMQKYIWUAJDUGV-NSHDSACASA-N 0 0 320.345 0.573 50 0 DCAARN O=C(CCn1nc(-c2cccs2)oc1=O)O[C@H]1CCOC1=O ZINC000016365997 182042642 /nfs/dbraw/zinc/04/26/42/182042642.db2.gz WPAFGXMCDCXSTE-QMMMGPOBSA-N 0 0 324.314 0.814 50 0 DCAARN O=C(NCCN1CCO[C@@H](c2ccccc2)C1)C(=O)NC1CC1 ZINC000017178585 182078310 /nfs/dbraw/zinc/07/83/10/182078310.db2.gz CRRQVHUVTJARNN-OAHLLOKOSA-N 0 0 317.389 0.455 50 0 DCAARN COc1ccccc1C(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C1=O ZINC000018272584 182101537 /nfs/dbraw/zinc/10/15/37/182101537.db2.gz DUDMCOLAOVMIEZ-RNJOBUHISA-N 0 0 314.297 0.278 50 0 DCAARN C[C@@H](NC(=O)C(=O)NCCCN1CCOCC1)c1ccccc1 ZINC000019831218 182154269 /nfs/dbraw/zinc/15/42/69/182154269.db2.gz GYUVPHRWLLGPLU-CQSZACIVSA-N 0 0 319.405 0.702 50 0 DCAARN Cc1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1C ZINC000019831572 182154609 /nfs/dbraw/zinc/15/46/09/182154609.db2.gz JDFJFQYRCOAEHY-UHFFFAOYSA-N 0 0 305.378 0.690 50 0 DCAARN Cc1cc(C)cc(NC(=O)C(=O)NCCN2CCOCC2)c1 ZINC000019831296 182154957 /nfs/dbraw/zinc/15/49/57/182154957.db2.gz CVYRNKUTDMNUEM-UHFFFAOYSA-N 0 0 305.378 0.690 50 0 DCAARN Cc1cccc(NC(=O)C(=O)NCCN2CCOCC2)c1C ZINC000019831298 182155197 /nfs/dbraw/zinc/15/51/97/182155197.db2.gz SUBOFPAOZRIHFY-UHFFFAOYSA-N 0 0 305.378 0.690 50 0 DCAARN O=C(CSc1nnnn1-c1ccccc1)Nc1nc[nH]n1 ZINC000019849818 182157451 /nfs/dbraw/zinc/15/74/51/182157451.db2.gz ATZXZJPCYDGDOH-UHFFFAOYSA-N 0 0 302.323 0.511 50 0 DCAARN CCCCN1CNc2c(c(=O)[nH]c(=O)n2Cc2cccnc2)C1 ZINC000020573562 182234098 /nfs/dbraw/zinc/23/40/98/182234098.db2.gz CJQYJYVEQWIRPM-UHFFFAOYSA-N 0 0 315.377 0.965 50 0 DCAARN COCCNc1nc2nnnn2c2sc3c(c21)CCN(C)C3 ZINC000020518192 182226481 /nfs/dbraw/zinc/22/64/81/182226481.db2.gz VUWUUNZUDISLNX-UHFFFAOYSA-N 0 0 319.394 0.780 50 0 DCAARN Cc1nn(CC(=O)NCCCOC(C)C)c(=O)c2cccn21 ZINC000020901676 182252695 /nfs/dbraw/zinc/25/26/95/182252695.db2.gz PSEWROWUSBBBCI-UHFFFAOYSA-N 0 0 306.366 0.736 50 0 DCAARN COCCNC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O ZINC000020735377 182245386 /nfs/dbraw/zinc/24/53/86/182245386.db2.gz JULHIKVTNDRROQ-UHFFFAOYSA-N 0 0 321.333 0.176 50 0 DCAARN CCS(=O)(=O)N1CCC(C(=O)Nc2ccn(C)n2)CC1 ZINC000021631093 182281221 /nfs/dbraw/zinc/28/12/21/182281221.db2.gz IXCUOSBMRJYCTO-UHFFFAOYSA-N 0 0 300.384 0.420 50 0 DCAARN Cc1nc(N(C)C)ncc1C(=O)NCCCN1CCCC1=O ZINC000021637586 182281248 /nfs/dbraw/zinc/28/12/48/182281248.db2.gz BAKGHJKOMIYWSY-UHFFFAOYSA-N 0 0 305.382 0.593 50 0 DCAARN Nc1nonc1C(=O)NCCNC(=O)Nc1cccc(Cl)c1 ZINC000021797807 182289600 /nfs/dbraw/zinc/28/96/00/182289600.db2.gz IZZMYHZSHYDJLE-UHFFFAOYSA-N 0 0 324.728 0.857 50 0 DCAARN NC(=O)CN1CCCN(Cc2cccc(Cl)c2)S1(=O)=O ZINC000021923532 182298347 /nfs/dbraw/zinc/29/83/47/182298347.db2.gz HRHWRRNNZIMDSO-UHFFFAOYSA-N 0 0 317.798 0.578 50 0 DCAARN O=C(CN1CCN(Cc2ccccn2)CC1)NC(=O)NC1CC1 ZINC000022012109 182303381 /nfs/dbraw/zinc/30/33/81/182303381.db2.gz PBDFXLVBUHRVIA-UHFFFAOYSA-N 0 0 317.393 0.187 50 0 DCAARN Cn1c2ccccc2n(CC(=O)N2CCC(C(N)=O)CC2)c1=O ZINC000022017724 182304670 /nfs/dbraw/zinc/30/46/70/182304670.db2.gz JDLKZTYXDVULNI-UHFFFAOYSA-N 0 0 316.361 0.064 50 0 DCAARN COC(=O)c1ccc(NC(=O)CN(C)S(C)(=O)=O)cc1 ZINC000022606566 182327818 /nfs/dbraw/zinc/32/78/18/182327818.db2.gz FEBBUMZXFAKGCT-UHFFFAOYSA-N 0 0 300.336 0.303 50 0 DCAARN COC(=O)c1ccc(CN2C(=O)N[C@]3(CCSC3)C2=O)o1 ZINC000022669732 182330405 /nfs/dbraw/zinc/33/04/05/182330405.db2.gz XRMKJKCSBLQKLO-ZDUSSCGKSA-N 0 0 310.331 0.994 50 0 DCAARN Nc1nccnc1C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000022476502 182322775 /nfs/dbraw/zinc/32/27/75/182322775.db2.gz MJRXZZKAPSNDRX-UHFFFAOYSA-N 0 0 318.381 0.423 50 0 DCAARN Cc1ccc(C(=O)NCCNC(=O)c2ccc(=O)[nH]c2)cc1F ZINC000022976164 182344151 /nfs/dbraw/zinc/34/41/51/182344151.db2.gz YKLMMKNLRGJMDG-UHFFFAOYSA-N 0 0 317.320 0.982 50 0 DCAARN CC(C)Cc1noc(CN2CCN(S(C)(=O)=O)CC2)n1 ZINC000022845869 182336832 /nfs/dbraw/zinc/33/68/32/182336832.db2.gz BVDWKBXXKNZXHM-UHFFFAOYSA-N 0 0 302.400 0.345 50 0 DCAARN CCOC(=O)N1CCC(NS(=O)(=O)N2CCCCC2)CC1 ZINC000022843004 182336962 /nfs/dbraw/zinc/33/69/62/182336962.db2.gz AQIDNHYPHMWGEE-UHFFFAOYSA-N 0 0 319.427 0.928 50 0 DCAARN CCC(CC)[C@H](CNC(=O)c1nccnc1N)N1CCOCC1 ZINC000022899238 182340045 /nfs/dbraw/zinc/34/00/45/182340045.db2.gz FBYKHLKRYQNJFH-ZDUSSCGKSA-N 0 0 321.425 0.926 50 0 DCAARN Cc1ccc([C@H](C)NC(=O)Cn2cnc3c(cnn3C)c2=O)o1 ZINC000023307052 182356449 /nfs/dbraw/zinc/35/64/49/182356449.db2.gz ADQOMUMFSZRMNL-JTQLQIEISA-N 0 0 315.333 0.909 50 0 DCAARN OCCOCCN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023115186 182348331 /nfs/dbraw/zinc/34/83/31/182348331.db2.gz WOZHIKBKCNENHJ-UHFFFAOYSA-N 0 0 308.378 0.542 50 0 DCAARN O=C(NCCCN1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000023324697 182357571 /nfs/dbraw/zinc/35/75/71/182357571.db2.gz ZAOIPXUZJRLFDL-UHFFFAOYSA-N 0 0 306.362 0.910 50 0 DCAARN C[C@H](Cn1cccn1)C(=O)N1CCC(n2cc(CO)nn2)CC1 ZINC000023505204 182362481 /nfs/dbraw/zinc/36/24/81/182362481.db2.gz YIXSTWYQACYXHJ-GFCCVEGCSA-N 0 0 318.381 0.467 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000023628588 182364695 /nfs/dbraw/zinc/36/46/95/182364695.db2.gz JJQVWPKNKQIDNK-QMMMGPOBSA-N 0 0 314.367 0.314 50 0 DCAARN O=C1CN(CCS(=O)(=O)c2ccc(Cl)cc2)CCN1 ZINC000023816664 182368729 /nfs/dbraw/zinc/36/87/29/182368729.db2.gz JYQCKDQMOVZHAE-UHFFFAOYSA-N 0 0 302.783 0.546 50 0 DCAARN Cn1nc(C(=O)NCc2cccc(Cn3ccnc3)c2)ccc1=O ZINC000024747339 182389395 /nfs/dbraw/zinc/38/93/95/182389395.db2.gz YECMYUKDJZSFSG-UHFFFAOYSA-N 0 0 323.356 0.955 50 0 DCAARN CCN(CC)C(=O)CN1C(=O)c2ccccc2CS1(=O)=O ZINC000058283295 284483187 /nfs/dbraw/zinc/48/31/87/284483187.db2.gz QDOZRUBIVVWTPZ-UHFFFAOYSA-N 0 0 310.375 0.841 50 0 DCAARN O=C(c1cnccn1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000025814684 182423119 /nfs/dbraw/zinc/42/31/19/182423119.db2.gz PNVGSMXRXFIANR-NSHDSACASA-N 0 0 321.358 0.899 50 0 DCAARN COc1cc(OC)cc([C@H](NCCC(N)=O)c2nccn2C)c1 ZINC000028692533 182535479 /nfs/dbraw/zinc/53/54/79/182535479.db2.gz FKUMPVJNYNIZPD-HNNXBMFYSA-N 0 0 318.377 0.992 50 0 DCAARN COC(=O)[C@H](C)NC(=O)CCCn1nnc2ccccc2c1=O ZINC000032072842 182633419 /nfs/dbraw/zinc/63/34/19/182633419.db2.gz PFMXWAWNESAUQV-JTQLQIEISA-N 0 0 318.333 0.249 50 0 DCAARN CC(=O)N1CCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)CC1 ZINC000031810164 182624076 /nfs/dbraw/zinc/62/40/76/182624076.db2.gz SAUKXMCGASDOLZ-UHFFFAOYSA-N 0 0 313.361 0.880 50 0 DCAARN Cc1ccc(OCCNC(=O)CC[C@H]2NC(=O)NC2=O)c(C)c1 ZINC000032748225 182659171 /nfs/dbraw/zinc/65/91/71/182659171.db2.gz ISCKZLLKZXQWOU-GFCCVEGCSA-N 0 0 319.361 0.787 50 0 DCAARN Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c2c(=O)[nH]n(C)c2n1 ZINC000032633687 182652212 /nfs/dbraw/zinc/65/22/12/182652212.db2.gz KTIYYHXSOYENOY-UWVGGRQHSA-N 0 0 304.350 0.819 50 0 DCAARN O=C(Cn1cccnc1=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000033004846 182688099 /nfs/dbraw/zinc/68/80/99/182688099.db2.gz OQJQIAZLHHFCNI-AWEZNQCLSA-N 0 0 317.320 0.983 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)CCNc2ncccn2)C[C@H](C)O1 ZINC000032923650 182681516 /nfs/dbraw/zinc/68/15/16/182681516.db2.gz KOGWHWGMELUPBH-PHIMTYICSA-N 0 0 300.384 0.328 50 0 DCAARN CCN1c2ccccc2[C@H](NC(=O)C(=O)N2CCOCC2)C1=O ZINC000101442494 193813240 /nfs/dbraw/zinc/81/32/40/193813240.db2.gz KZYRRICJWQNFQN-ZDUSSCGKSA-N 0 0 317.345 0.069 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCc1ccc(F)cc1F ZINC000038488389 182999510 /nfs/dbraw/zinc/99/95/10/182999510.db2.gz UYOQXBCDYONUIG-UHFFFAOYSA-N 0 0 309.272 0.509 50 0 DCAARN COc1cc(C(=O)NCC2CC2)cc(OC)c1OCC(N)=O ZINC000039551878 183020205 /nfs/dbraw/zinc/02/02/05/183020205.db2.gz QFCPNTVRFBNKGD-UHFFFAOYSA-N 0 0 308.334 0.708 50 0 DCAARN CC[C@@](C)(CNC(=O)CNC(=O)C(C)(C)C)N1CCOCC1 ZINC000040089357 183032840 /nfs/dbraw/zinc/03/28/40/183032840.db2.gz IKBHWJJEKMVCPP-INIZCTEOSA-N 0 0 313.442 0.766 50 0 DCAARN CC(C)(CO)NC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000040287676 183052164 /nfs/dbraw/zinc/05/21/64/183052164.db2.gz QFNQUINYFDGFMI-UHFFFAOYSA-N 0 0 305.256 0.926 50 0 DCAARN CC(=O)N1CCN(C(=O)Cn2ncc3ccccc3c2=O)CC1 ZINC000040464718 183072130 /nfs/dbraw/zinc/07/21/30/183072130.db2.gz QBVWUOMXOOWRTR-UHFFFAOYSA-N 0 0 314.345 0.087 50 0 DCAARN Cc1noc(C)c1CCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000040467448 183073538 /nfs/dbraw/zinc/07/35/38/183073538.db2.gz LQCDBVAPTBBRQH-NSHDSACASA-N 0 0 300.380 0.870 50 0 DCAARN COC(=O)c1ccc(OC[C@H](O)CN2C(=O)CN(C)C2=O)cc1 ZINC000040477392 183075005 /nfs/dbraw/zinc/07/50/05/183075005.db2.gz VYSNJPZYZJVZLA-LLVKDONJSA-N 0 0 322.317 0.107 50 0 DCAARN C[C@H]1CN(C(=O)Cn2nc(-c3cccs3)oc2=O)CCO1 ZINC000040477938 183075863 /nfs/dbraw/zinc/07/58/63/183075863.db2.gz PGXNJTYQHNATBZ-VIFPVBQESA-N 0 0 309.347 0.812 50 0 DCAARN O=C(NCc1nnc2n1CCC2)[C@@H]1COc2ccccc2O1 ZINC000040481211 183076909 /nfs/dbraw/zinc/07/69/09/183076909.db2.gz ICWHUFUQZMQCKH-LBPRGKRZSA-N 0 0 300.318 0.681 50 0 DCAARN NC(=O)c1ccc(CNS(=O)(=O)N2CCCCCC2)cc1 ZINC000040488007 183078264 /nfs/dbraw/zinc/07/82/64/183078264.db2.gz MMKBGNWKMCJHSC-UHFFFAOYSA-N 0 0 311.407 0.996 50 0 DCAARN O=C(NCc1ccco1)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000040490216 183079946 /nfs/dbraw/zinc/07/99/46/183079946.db2.gz OPODGMPMPLKBQK-HIFRSBDPSA-N 0 0 323.393 0.816 50 0 DCAARN Cc1noc(C)c1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000040497294 183081862 /nfs/dbraw/zinc/08/18/62/183081862.db2.gz YPAGWENNOPKVCU-UHFFFAOYSA-N 0 0 315.395 0.374 50 0 DCAARN CNC(=O)CN(C)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000040497388 183081954 /nfs/dbraw/zinc/08/19/54/183081954.db2.gz ZJYJDVWOPLSQFJ-LBPRGKRZSA-N 0 0 323.780 0.645 50 0 DCAARN C[C@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)[C@H]1CCCO1 ZINC000040497649 183081983 /nfs/dbraw/zinc/08/19/83/183081983.db2.gz HKIZSQMAQRQTJL-GXFFZTMASA-N 0 0 317.345 0.374 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1 ZINC000040497262 183082021 /nfs/dbraw/zinc/08/20/21/183082021.db2.gz LYUSEIDPBOBXLJ-UHFFFAOYSA-N 0 0 314.382 0.908 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1cn(-c2ccccc2)nn1 ZINC000040508819 183086245 /nfs/dbraw/zinc/08/62/45/183086245.db2.gz XQOCGCKTFNUTSM-LLVKDONJSA-N 0 0 320.374 0.432 50 0 DCAARN CC(=O)N1CCC[C@H]1C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000040510785 183086854 /nfs/dbraw/zinc/08/68/54/183086854.db2.gz HDKWUBOMHVVXKE-AWEZNQCLSA-N 0 0 313.361 0.894 50 0 DCAARN C[C@@H](CNC(=O)c1cnn(C)c1-n1cccc1)N1CCOCC1 ZINC000040512879 183088117 /nfs/dbraw/zinc/08/81/17/183088117.db2.gz JQYJLOVYTBRIPF-ZDUSSCGKSA-N 0 0 317.393 0.661 50 0 DCAARN Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H]1CCCCNC1=O ZINC000040521264 183090811 /nfs/dbraw/zinc/09/08/11/183090811.db2.gz JRCGOFDADXLEAX-CYBMUJFWSA-N 0 0 313.361 0.974 50 0 DCAARN C[C@@H](CNS(=O)(=O)c1cnn(C)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000040528114 183093457 /nfs/dbraw/zinc/09/34/57/183093457.db2.gz VQYMSFNJGAHFNG-SDDRHHMPSA-N 0 0 316.427 0.196 50 0 DCAARN CC(=O)Nc1nc(C(=O)NCCNc2ncccn2)cs1 ZINC000040535559 183095763 /nfs/dbraw/zinc/09/57/63/183095763.db2.gz VYXIDTWUGKIVJG-UHFFFAOYSA-N 0 0 306.351 0.733 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000040542821 183098490 /nfs/dbraw/zinc/09/84/90/183098490.db2.gz OUQYKMLKGFUOBF-STQMWFEESA-N 0 0 318.439 0.733 50 0 DCAARN CC(C)S(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000040553370 183100700 /nfs/dbraw/zinc/10/07/00/183100700.db2.gz CWCOBKFAHFNCHW-UHFFFAOYSA-N 0 0 310.375 0.441 50 0 DCAARN CCn1nc(C)c2c1cnn2CC(=O)NCCCn1ccnc1 ZINC000041123914 183169091 /nfs/dbraw/zinc/16/90/91/183169091.db2.gz SQJJLJWWBUGZOI-UHFFFAOYSA-N 0 0 315.381 0.964 50 0 DCAARN CC(=O)N[C@@H](CC(=O)N1CC[C@H](C(N)=O)C1)c1cccs1 ZINC000041130216 183170408 /nfs/dbraw/zinc/17/04/08/183170408.db2.gz UGXBXMNELFDFTI-QWRGUYRKSA-N 0 0 309.391 0.649 50 0 DCAARN O=C(NCc1nnc2n1CCCCC2)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000041820894 183221338 /nfs/dbraw/zinc/22/13/38/183221338.db2.gz NBPIBTUUEHNXLN-LLVKDONJSA-N 0 0 317.393 0.632 50 0 DCAARN O=C(CN1CCN(CCO)CC1)NCC1(c2ccccc2)CC1 ZINC000042287247 183249752 /nfs/dbraw/zinc/24/97/52/183249752.db2.gz UXWLPNSYNVKFKW-UHFFFAOYSA-N 0 0 317.433 0.444 50 0 DCAARN CCN(CC)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000042100064 183233078 /nfs/dbraw/zinc/23/30/78/183233078.db2.gz MBUSJGDHAVOJFW-UHFFFAOYSA-N 0 0 317.397 0.947 50 0 DCAARN C[C@H]1CC(=O)Nc2c1c(NC(=O)c1ccc(=O)[nH]c1)nn2C ZINC000042380652 183261645 /nfs/dbraw/zinc/26/16/45/183261645.db2.gz KFYINXHFIIMUPF-ZETCQYMHSA-N 0 0 301.306 0.806 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)NCc2ccc3c(c2)OCCO3)C1 ZINC000043163023 183342392 /nfs/dbraw/zinc/34/23/92/183342392.db2.gz YCFWFXRGGLLDFP-LLVKDONJSA-N 0 0 305.334 0.475 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N1CCC(c2ccccc2)CC1 ZINC000043494127 183367340 /nfs/dbraw/zinc/36/73/40/183367340.db2.gz BORLIGCOYUVKQA-CYBMUJFWSA-N 0 0 301.346 0.991 50 0 DCAARN COC[C@@H](C)NC(=O)CS(=O)(=O)c1cccc(OC)c1 ZINC000044947714 183464209 /nfs/dbraw/zinc/46/42/09/183464209.db2.gz HFOFBDBIMAPBLU-SNVBAGLBSA-N 0 0 301.364 0.620 50 0 DCAARN O=C(Cn1nnn(-c2cccs2)c1=O)Nc1cccnc1 ZINC000044893635 183449865 /nfs/dbraw/zinc/44/98/65/183449865.db2.gz HFBRTASZCNVICY-UHFFFAOYSA-N 0 0 302.319 0.524 50 0 DCAARN CN(Cc1ccsc1)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000044892975 183449955 /nfs/dbraw/zinc/44/99/55/183449955.db2.gz CIGRDGQVJDBNNS-SNAWJCMRSA-N 0 0 319.386 0.817 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)S(=O)(=O)C[C@H]2CCCO2)no1 ZINC000045359832 183500635 /nfs/dbraw/zinc/50/06/35/183500635.db2.gz DHZKRHSKGCWLSA-VHSXEESVSA-N 0 0 302.352 0.904 50 0 DCAARN O=C(NCCOc1ccccc1)NC[C@H]1CCS(=O)(=O)C1 ZINC000045654650 183522176 /nfs/dbraw/zinc/52/21/76/183522176.db2.gz JJXNLUMERLNOQJ-GFCCVEGCSA-N 0 0 312.391 0.799 50 0 DCAARN O=C(CN1CCCC1=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000045837374 183532293 /nfs/dbraw/zinc/53/22/93/183532293.db2.gz CCYMCVYIYPIXDR-UHFFFAOYSA-N 0 0 303.240 0.955 50 0 DCAARN CCN(Cc1ccccc1)C(=O)CS(=O)(=O)c1nncn1C ZINC000047622478 183598855 /nfs/dbraw/zinc/59/88/55/183598855.db2.gz VIQCXEYWPSUBLH-UHFFFAOYSA-N 0 0 322.390 0.638 50 0 DCAARN CNC(=O)c1cc(NC(=O)NCCNC(C)=O)ccc1Cl ZINC000047813870 183604974 /nfs/dbraw/zinc/60/49/74/183604974.db2.gz AGMCIBONQSAEKL-UHFFFAOYSA-N 0 0 312.757 0.957 50 0 DCAARN O=C(NCCNc1ncccn1)c1ccc2c(c1)OCC(=O)N2 ZINC000047992712 183613256 /nfs/dbraw/zinc/61/32/56/183613256.db2.gz ZSDHKAQLZRSLJE-UHFFFAOYSA-N 0 0 313.317 0.649 50 0 DCAARN C[C@H](CNS(=O)(=O)c1cnn(C)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000106074450 194184662 /nfs/dbraw/zinc/18/46/62/194184662.db2.gz VQYMSFNJGAHFNG-UTUOFQBUSA-N 0 0 316.427 0.196 50 0 DCAARN CCn1cnc(NC(=O)N(C)Cc2nc(CCOC)no2)n1 ZINC000048081039 183619754 /nfs/dbraw/zinc/61/97/54/183619754.db2.gz GAPTYYBVKGEYBC-UHFFFAOYSA-N 0 0 309.330 0.534 50 0 DCAARN CN1C[C@H](C(=O)NCCOc2ccc3c(c2)OCO3)CC1=O ZINC000048230473 183629344 /nfs/dbraw/zinc/62/93/44/183629344.db2.gz WJFSFKKCEZRQBR-SNVBAGLBSA-N 0 0 306.318 0.389 50 0 DCAARN CCOc1ccccc1C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000048340735 183646990 /nfs/dbraw/zinc/64/69/90/183646990.db2.gz BBPVZMFTIQQDOG-UHFFFAOYSA-N 0 0 317.345 0.900 50 0 DCAARN Cc1cnc(CN2CCN(c3ccc4nncn4n3)[C@@H](C)C2)cn1 ZINC000106660067 194240709 /nfs/dbraw/zinc/24/07/09/194240709.db2.gz OOHZEEXAVXNLAB-ZDUSSCGKSA-N 0 0 324.392 0.933 50 0 DCAARN C[C@@H]1CN(C[C@@H](O)CN2CCc3cncnc3C2)C[C@H](C)O1 ZINC000106666167 194242183 /nfs/dbraw/zinc/24/21/83/194242183.db2.gz LGNGDBSFWFBMTA-GUTXKFCHSA-N 0 0 306.410 0.305 50 0 DCAARN O=C(NCCS(=O)(=O)Cc1ccccc1)c1ccc(=O)[nH]c1 ZINC000052846130 183876885 /nfs/dbraw/zinc/87/68/85/183876885.db2.gz IEJPFEFANMFCBG-UHFFFAOYSA-N 0 0 320.370 0.720 50 0 DCAARN O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccccn2)CC1 ZINC000053195032 183891634 /nfs/dbraw/zinc/89/16/34/183891634.db2.gz KZHSRKVUVURMJT-CYBMUJFWSA-N 0 0 323.418 0.161 50 0 DCAARN CCn1c(N)c(C(=O)CN(C)c2ccc(F)cc2)c(=O)[nH]c1=O ZINC000053268537 183896596 /nfs/dbraw/zinc/89/65/96/183896596.db2.gz AGLAIISMQWXPTQ-UHFFFAOYSA-N 0 0 320.324 0.597 50 0 DCAARN CC(C)O[C@H]1CN(C(=O)CCC(=O)NC2CCCC2)C[C@@H]1O ZINC000055099212 183964361 /nfs/dbraw/zinc/96/43/61/183964361.db2.gz PAUGYAZMNRIECT-KBPBESRZSA-N 0 0 312.410 0.822 50 0 DCAARN CC(C)NC(=O)c1cc(OCC(=O)N2CCCCC2)n(C)n1 ZINC000057355344 184035290 /nfs/dbraw/zinc/03/52/90/184035290.db2.gz ZDRXSRXTSGJBQV-UHFFFAOYSA-N 0 0 308.382 0.950 50 0 DCAARN CCNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccc(O)cc1 ZINC000058010933 184066811 /nfs/dbraw/zinc/06/68/11/184066811.db2.gz JDDYUCXERLDODT-SNVBAGLBSA-N 0 0 322.365 0.497 50 0 DCAARN CCNC(=O)C(=O)NCc1nc(-c2ccc(OCC)cc2)no1 ZINC000058186182 184085949 /nfs/dbraw/zinc/08/59/49/184085949.db2.gz WAZVLNRPFMKJIL-UHFFFAOYSA-N 0 0 318.333 0.888 50 0 DCAARN CN(CC(=O)N[C@H](Cc1ccccc1)C(N)=O)c1cnccn1 ZINC000058193488 184086352 /nfs/dbraw/zinc/08/63/52/184086352.db2.gz BIMMVWSQXYZPNA-CYBMUJFWSA-N 0 0 313.361 0.126 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1Cc1ncc(C(C)(C)C)o1 ZINC000058202135 184087455 /nfs/dbraw/zinc/08/74/55/184087455.db2.gz BQABHDSEBOKBSV-SNVBAGLBSA-N 0 0 309.366 0.836 50 0 DCAARN O=C(CNC(=O)NCCNC(=O)C1CC1)NC1CCCCC1 ZINC000058214873 184089157 /nfs/dbraw/zinc/08/91/57/184089157.db2.gz VXUHUBKFPDWINO-UHFFFAOYSA-N 0 0 310.398 0.261 50 0 DCAARN CN(Cc1ccccc1)C(=O)CCNc1ccc2nnnn2n1 ZINC000058357074 184108417 /nfs/dbraw/zinc/10/84/17/184108417.db2.gz PKGCMQBLDDJHEU-UHFFFAOYSA-N 0 0 311.349 0.980 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccnc(-n2ccnc2)c1 ZINC000058379475 184110581 /nfs/dbraw/zinc/11/05/81/184110581.db2.gz KWJSMLGDFNJFDG-NSHDSACASA-N 0 0 320.374 0.432 50 0 DCAARN NC(=O)COC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000058281453 184099411 /nfs/dbraw/zinc/09/94/11/184099411.db2.gz RKFRSQQDURZRLK-UHFFFAOYSA-N 0 0 316.107 0.862 50 0 DCAARN CC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000058291532 184100906 /nfs/dbraw/zinc/10/09/06/184100906.db2.gz DZKSJJXAZYKRNU-LBPRGKRZSA-N 0 0 313.398 0.886 50 0 DCAARN CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)C(C)C)c1 ZINC000058328466 184105602 /nfs/dbraw/zinc/10/56/02/184105602.db2.gz UYJLFKYPMHQNRK-JTQLQIEISA-N 0 0 320.436 0.918 50 0 DCAARN CC(=O)NC1(C(=O)N2CCC(CC(N)=O)CC2)CCCCC1 ZINC000058394792 184113260 /nfs/dbraw/zinc/11/32/60/184113260.db2.gz JTWGJOMSOIUBFK-UHFFFAOYSA-N 0 0 309.410 0.939 50 0 DCAARN Cc1nn(C)c(C)c1/C=C/C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000058405163 184113501 /nfs/dbraw/zinc/11/35/01/184113501.db2.gz NDNVKNXRHLYEJD-FYJFLYSWSA-N 0 0 311.407 0.696 50 0 DCAARN CC(=O)NCCNC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000060489477 184150430 /nfs/dbraw/zinc/15/04/30/184150430.db2.gz RWMQBSPSOXWNGH-UHFFFAOYSA-N 0 0 310.398 0.167 50 0 DCAARN COC(=O)CCNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000059036967 184133988 /nfs/dbraw/zinc/13/39/88/184133988.db2.gz VHMPUPYRHUSNDT-UHFFFAOYSA-N 0 0 317.345 0.844 50 0 DCAARN COC(=O)CNC[C@]1(O)CCCN(Cc2cccc(C)c2)C1=O ZINC000059429714 184138623 /nfs/dbraw/zinc/13/86/23/184138623.db2.gz CEOQUNUKIIXXAZ-QGZVFWFLSA-N 0 0 320.389 0.611 50 0 DCAARN COC(=O)c1scc(C)c1NC(=O)C[C@H]1NCCNC1=O ZINC000059595136 184139645 /nfs/dbraw/zinc/13/96/45/184139645.db2.gz FYFFNZRQWCRDPD-MRVPVSSYSA-N 0 0 311.363 0.260 50 0 DCAARN Cc1cc(C(=O)NCC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c(C)o1 ZINC000063767871 184288233 /nfs/dbraw/zinc/28/82/33/184288233.db2.gz ATRCZLZFHITEHB-BXKDBHETSA-N 0 0 321.377 0.739 50 0 DCAARN COCCNC(=O)c1nc(Cn2c3ccccc3oc2=O)no1 ZINC000065111622 184310893 /nfs/dbraw/zinc/31/08/93/184310893.db2.gz PHFGODVNIZEGIO-UHFFFAOYSA-N 0 0 318.289 0.402 50 0 DCAARN CNC(=O)c1nn(-c2ccc(OC)c(OC)c2)c(OC)cc1=O ZINC000065198083 184314401 /nfs/dbraw/zinc/31/44/01/184314401.db2.gz XMWXJHSRJURBDO-UHFFFAOYSA-N 0 0 319.317 0.618 50 0 DCAARN O=C(NCc1cc(=O)[nH]cn1)c1cn2c3c(cccc3c1=O)CC2 ZINC000065428101 184343348 /nfs/dbraw/zinc/34/33/48/184343348.db2.gz ODMIHFXKOVDGHQ-UHFFFAOYSA-N 0 0 322.324 0.571 50 0 DCAARN CC(C)N1C[C@H](C(=O)NCCN2C(=O)CSC2=O)CC1=O ZINC000065430469 184343722 /nfs/dbraw/zinc/34/37/22/184343722.db2.gz DQMACOYWAPSHBE-SECBINFHSA-N 0 0 313.379 0.055 50 0 DCAARN O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cn[nH]c1 ZINC000065433695 184344119 /nfs/dbraw/zinc/34/41/19/184344119.db2.gz NHKNIDGUKJZDOB-YPMHNXCESA-N 0 0 309.370 0.269 50 0 DCAARN Cc1cc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)n(C)n1 ZINC000065433859 184344203 /nfs/dbraw/zinc/34/42/03/184344203.db2.gz XKXMBXBOJOMBPJ-UHFFFAOYSA-N 0 0 321.362 0.165 50 0 DCAARN CCOc1ncccc1CNC(=O)N1CCN(C(C)=O)CC1 ZINC000065437066 184345307 /nfs/dbraw/zinc/34/53/07/184345307.db2.gz IDXPCARICOLLMM-UHFFFAOYSA-N 0 0 306.366 0.854 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)NCc2ccccn2)CC1 ZINC000065439556 184345358 /nfs/dbraw/zinc/34/53/58/184345358.db2.gz TXZIDCBZRFJTAM-UHFFFAOYSA-N 0 0 312.395 0.305 50 0 DCAARN CC(=O)N1CCC(NC(=O)NCCCc2c[nH]nc2C)CC1 ZINC000065447666 184345821 /nfs/dbraw/zinc/34/58/21/184345821.db2.gz VUWRZGSMHLEVKV-UHFFFAOYSA-N 0 0 307.398 0.961 50 0 DCAARN Cn1cnnc1[C@@H]1CCCN(C(=O)NCCCn2ccnc2)C1 ZINC000065449293 184346099 /nfs/dbraw/zinc/34/60/99/184346099.db2.gz AHEPLOIDJKKVTG-CYBMUJFWSA-N 0 0 317.397 0.991 50 0 DCAARN CCc1nc(C)c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C(=O)[O-])C2)o1 ZINC000065395406 184335444 /nfs/dbraw/zinc/33/54/44/184335444.db2.gz UPMOMUCFFNMIGP-BONVTDFDSA-N 0 0 307.350 0.634 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)NCC(=O)Nc2nccs2)CC1=O ZINC000065528424 184360443 /nfs/dbraw/zinc/36/04/43/184360443.db2.gz KRNYQDZLXOTYNI-JTQLQIEISA-N 0 0 324.406 0.702 50 0 DCAARN CC(C)CN1C[C@H](C(=O)NCC(=O)Nc2nccs2)CC1=O ZINC000065528422 184360486 /nfs/dbraw/zinc/36/04/86/184360486.db2.gz KRNYQDZLXOTYNI-SNVBAGLBSA-N 0 0 324.406 0.702 50 0 DCAARN C[C@H](O)CN(CC(=O)N[C@@H]1CCCCNC1=O)c1ccccc1 ZINC000065554285 184365497 /nfs/dbraw/zinc/36/54/97/184365497.db2.gz JDIRGLYKHPZYDU-DZGCQCFKSA-N 0 0 319.405 0.659 50 0 DCAARN CN1N=C(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)CCC1=O ZINC000065563306 184365939 /nfs/dbraw/zinc/36/59/39/184365939.db2.gz MPSGUOKMWHXWFV-CQSZACIVSA-N 0 0 314.345 0.294 50 0 DCAARN C[C@@H](NC(=O)NCc1nnc2n1CCCCC2)c1nncn1C ZINC000065563865 184366477 /nfs/dbraw/zinc/36/64/77/184366477.db2.gz SKHAKHTUYVELHD-SNVBAGLBSA-N 0 0 318.385 0.693 50 0 DCAARN CC[C@H](C)S(=O)(=O)N1CCn2nc(C(=O)OC)cc2C1 ZINC000065505061 184355857 /nfs/dbraw/zinc/35/58/57/184355857.db2.gz QDZYASVJGDGWHT-VIFPVBQESA-N 0 0 301.368 0.614 50 0 DCAARN COC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(OC)c2)C1=O ZINC000066084264 184388344 /nfs/dbraw/zinc/38/83/44/184388344.db2.gz AIRJTXVKLVPJBL-HNNXBMFYSA-N 0 0 321.333 0.591 50 0 DCAARN CS(=O)(=O)c1cccc(C(=O)N2CCC(O)(CO)CC2)c1 ZINC000067895802 184490690 /nfs/dbraw/zinc/49/06/90/184490690.db2.gz MTYNMCOZUZRMHC-UHFFFAOYSA-N 0 0 313.375 0.050 50 0 DCAARN COCCOCC(=O)N1CCN(c2ncnc(C)c2C)CC1 ZINC000299761485 533049220 /nfs/dbraw/zinc/04/92/20/533049220.db2.gz SHVNMAWKDUKFEZ-UHFFFAOYSA-N 0 0 308.382 0.405 50 0 DCAARN COc1ccc(-n2ccnc2CN2CC[NH2+][C@H](C(=O)[O-])C2)cc1 ZINC000071761336 256543192 /nfs/dbraw/zinc/54/31/92/256543192.db2.gz HMBGOLLMQVCBJZ-AWEZNQCLSA-N 0 0 316.361 0.739 50 0 DCAARN Cc1c(Cl)cccc1NC(=O)CN1C[C@H](O)C[C@H]1C(N)=O ZINC000241961345 256603765 /nfs/dbraw/zinc/60/37/65/256603765.db2.gz URPOOMMUFZIEAC-SKDRFNHKSA-N 0 0 311.769 0.507 50 0 DCAARN Cc1noc(CNC(=O)[C@H](Cc2ccccc2)n2cnnn2)n1 ZINC000524734809 257213615 /nfs/dbraw/zinc/21/36/15/257213615.db2.gz PWNITVXGNHAARF-LBPRGKRZSA-N 0 0 313.321 0.465 50 0 DCAARN C[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2)n1cnnn1 ZINC000524731060 257214039 /nfs/dbraw/zinc/21/40/39/257214039.db2.gz IZGSTJHBTCGFFW-RNJOBUHISA-N 0 0 318.381 0.094 50 0 biogenic DCAARN COC(=O)CN[C@]1(C(=O)OC)CCCN(Cc2ccccc2)C1 ZINC000121113227 257239468 /nfs/dbraw/zinc/23/94/68/257239468.db2.gz SRQBIPAUZVGXSN-QGZVFWFLSA-N 0 0 320.389 0.957 50 0 DCAARN COC(=O)C1(CNC(=O)[C@H]2COc3ccc(O)cc3O2)CC1 ZINC000521396365 257240554 /nfs/dbraw/zinc/24/05/54/257240554.db2.gz QVWDOZVDEBHBJD-GFCCVEGCSA-N 0 0 307.302 0.601 50 0 DCAARN Cc1nn(C)c(C(=O)N2CCN(Cc3nc[nH]n3)CC2)c1Cl ZINC000426734217 257243485 /nfs/dbraw/zinc/24/34/85/257243485.db2.gz BFXJTMJFPZKAIH-UHFFFAOYSA-N 0 0 323.788 0.458 50 0 DCAARN CCN(C(=O)NCc1cn2ccc(C)cc2n1)[C@H]1COC[C@@H]1O ZINC000426705937 257243539 /nfs/dbraw/zinc/24/35/39/257243539.db2.gz WYSDXSFOQMKUDM-KBPBESRZSA-N 0 0 318.377 0.934 50 0 DCAARN Cc1cnccc1CNC(=O)N1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000426739883 257243565 /nfs/dbraw/zinc/24/35/65/257243565.db2.gz ULSXZPVSGBDCLC-PYHGIMPFSA-N 0 0 305.378 0.663 50 0 DCAARN Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CCCn1cncn1)CC2 ZINC000426701583 257244704 /nfs/dbraw/zinc/24/47/04/257244704.db2.gz JDXSADPBRUAPPD-UHFFFAOYSA-N 0 0 316.365 0.490 50 0 DCAARN COc1cccc(-n2c(C[NH3+])nnc2SC[C@@H](O)CO)c1 ZINC000426563537 257245689 /nfs/dbraw/zinc/24/56/89/257245689.db2.gz ZHKPIRVMLPBRSN-JTQLQIEISA-N 0 0 310.379 0.180 50 0 DCAARN O=C(Cc1n[nH]c(=O)[n-]1)NCCc1nccc(-c2ccccc2)n1 ZINC000426584700 257245903 /nfs/dbraw/zinc/24/59/03/257245903.db2.gz MVXIHFRGYWGUCL-UHFFFAOYSA-N 0 0 324.344 0.869 50 0 DCAARN Cc1noc(C)c1CN1CC[C@@H](NC(=O)C2(C)COC2)[C@H](O)C1 ZINC000426596487 257246283 /nfs/dbraw/zinc/24/62/83/257246283.db2.gz LFBSPWQREJXXAV-ZIAGYGMSSA-N 0 0 323.393 0.379 50 0 DCAARN O=C(NCCc1c[nH]cn1)N1CCC2(CC1)OCCC[C@H]2O ZINC000426517984 257247454 /nfs/dbraw/zinc/24/74/54/257247454.db2.gz UKGMPAMVOMKLKT-CYBMUJFWSA-N 0 0 308.382 0.668 50 0 DCAARN Cc1cccnc1C[C@H](C)NC(=O)NCCNS(C)(=O)=O ZINC000426525781 257247542 /nfs/dbraw/zinc/24/75/42/257247542.db2.gz BQRVSBSZCNPOIM-NSHDSACASA-N 0 0 314.411 0.169 50 0 DCAARN CN1C(=O)COc2ccc(C(=O)NCCc3cn[nH]n3)cc21 ZINC000426470973 257249656 /nfs/dbraw/zinc/24/96/56/257249656.db2.gz XPAPYOAAKKGSMJ-UHFFFAOYSA-N 0 0 301.306 0.132 50 0 DCAARN Cn1cccc1C(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O ZINC000426428933 257249954 /nfs/dbraw/zinc/24/99/54/257249954.db2.gz TXAWXMDMNZPOMI-TZMCWYRMSA-N 0 0 320.418 0.847 50 0 DCAARN COCCN(Cc1nccs1)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000426420261 257250872 /nfs/dbraw/zinc/25/08/72/257250872.db2.gz SNCYFPQJWLDDEQ-SNVBAGLBSA-N 0 0 318.420 0.553 50 0 DCAARN CO[C@]12CCN(C(=O)CCc3cnccn3)[C@H]1C[C@@H](O)CC2 ZINC000426361264 257253516 /nfs/dbraw/zinc/25/35/16/257253516.db2.gz KQRFATQGUYCEPP-OFQRWUPVSA-N 0 0 305.378 0.940 50 0 DCAARN COc1ccc(C2=NO[C@H](C(=O)N3CCN(C)CC3)C2)cc1 ZINC000020220090 257269021 /nfs/dbraw/zinc/26/90/21/257269021.db2.gz SDZZQVRMECKOAB-HNNXBMFYSA-N 0 0 303.362 0.962 50 0 DCAARN C[S@@](=O)c1nncn1CC(=O)NCc1ccc(Cl)cc1 ZINC000071804145 184847557 /nfs/dbraw/zinc/84/75/57/184847557.db2.gz FJKXIRRTHXNBLZ-FQEVSTJZSA-N 0 0 312.782 0.985 50 0 DCAARN COc1cc(CNC(=O)c2ccn[nH]2)ccc1OCC(N)=O ZINC000071815182 184850107 /nfs/dbraw/zinc/85/01/07/184850107.db2.gz VXOBKTNLNJJUCB-UHFFFAOYSA-N 0 0 304.306 0.212 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(=O)n2cccc(C)c2n1 ZINC000071892886 184891575 /nfs/dbraw/zinc/89/15/75/184891575.db2.gz OMISVNBIQNDNRL-OLZOCXBDSA-N 0 0 317.345 0.111 50 0 DCAARN Cc1nc(Cl)cc(N2CCC[C@@H](CS(N)(=O)=O)C2)n1 ZINC000071899646 184894720 /nfs/dbraw/zinc/89/47/20/184894720.db2.gz OAKXSUGMYQEIDD-SECBINFHSA-N 0 0 304.803 0.943 50 0 DCAARN CCC(=O)N[C@@H]1CCCN(C(=O)Nc2cccn(C)c2=O)C1 ZINC000071920112 184905754 /nfs/dbraw/zinc/90/57/54/184905754.db2.gz CUYIKGKLHBIXLT-LLVKDONJSA-N 0 0 306.366 0.908 50 0 DCAARN COCc1cccc(CNC(=O)CN2C[C@H](F)C[C@H]2C(N)=O)c1 ZINC000284982945 131128128 /nfs/dbraw/zinc/12/81/28/131128128.db2.gz XMLAAXBCHRXWQU-KGLIPLIRSA-N 0 0 323.368 0.347 50 0 DCAARN Cc1cc2c(cc1S(=O)(=O)N1CCOCC1)OCC(=O)N2 ZINC000020491745 292012229 /nfs/dbraw/zinc/01/22/29/292012229.db2.gz RNDAIZLLMAWFIX-UHFFFAOYSA-N 0 0 312.347 0.347 50 0 DCAARN CCS(=O)(=O)N[C@H]1CCCN(c2ncnc3c2cnn3C)C1 ZINC000065415621 134824438 /nfs/dbraw/zinc/82/44/38/134824438.db2.gz CPBSHLMFKYQIKE-JTQLQIEISA-N 0 0 324.410 0.271 50 0 DCAARN CCCCn1c(N)c(N(CCOC)C(=O)C2CC2)c(=O)[nH]c1=O ZINC000008230539 395684344 /nfs/dbraw/zinc/68/43/44/395684344.db2.gz OAWGYNKGJADIFD-UHFFFAOYSA-N 0 0 324.381 0.308 50 0 DCAARN COCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000008380431 395684504 /nfs/dbraw/zinc/68/45/04/395684504.db2.gz LWUOUFLXGYEPQZ-UHFFFAOYSA-N 0 0 304.393 0.227 50 0 DCAARN CCOCC(=O)NC[C@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 ZINC000009120840 395685111 /nfs/dbraw/zinc/68/51/11/395685111.db2.gz KOAVXEJLZOPUML-NSHDSACASA-N 0 0 322.317 0.893 50 0 DCAARN CN(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N2CCCC2)n1 ZINC000009201773 395685120 /nfs/dbraw/zinc/68/51/20/395685120.db2.gz JBIZHCBWPDWARF-UHFFFAOYSA-N 0 0 303.326 0.413 50 0 DCAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(=O)Nc2ncnn21 ZINC000009334733 395685327 /nfs/dbraw/zinc/68/53/27/395685327.db2.gz XRNPRJXPNVVKQT-QMMMGPOBSA-N 0 0 301.262 0.529 50 0 DCAARN C[C@]1(NS(=O)(=O)c2cccc(F)c2)CCS(=O)(=O)C1 ZINC000009548709 395685429 /nfs/dbraw/zinc/68/54/29/395685429.db2.gz QYNMBYDJMLOSNS-NSHDSACASA-N 0 0 307.368 0.681 50 0 DCAARN CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C(=O)OC)cc1 ZINC000009479989 395685438 /nfs/dbraw/zinc/68/54/38/395685438.db2.gz YFWHXDCEJJWYHF-VIFPVBQESA-N 0 0 322.317 0.864 50 0 DCAARN COc1ccccc1[C@H](C)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000010031300 395685812 /nfs/dbraw/zinc/68/58/12/395685812.db2.gz DCWSSLXYXCCZCW-ONGXEEELSA-N 0 0 305.334 0.861 50 0 DCAARN C[C@H](OC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(N)=O ZINC000010241678 395685873 /nfs/dbraw/zinc/68/58/73/395685873.db2.gz JFQLSVCPVPIQSP-LURJTMIESA-N 0 0 305.739 0.774 50 0 DCAARN COC(CNC(=O)c1c(O)nc2c(C)cccn2c1=O)OC ZINC000010166602 395685954 /nfs/dbraw/zinc/68/59/54/395685954.db2.gz BKDLOJPLEJXDLO-UHFFFAOYSA-N 0 0 307.306 0.057 50 0 DCAARN CC(=O)c1c[nH]c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000011008037 395686287 /nfs/dbraw/zinc/68/62/87/395686287.db2.gz OEFFJFCSIQRVKL-UHFFFAOYSA-N 0 0 304.306 0.032 50 0 DCAARN COc1ccc(C)cc1CN(C)CC(=O)N1CCNC(=O)C1 ZINC000011439698 395686482 /nfs/dbraw/zinc/68/64/82/395686482.db2.gz JDHUELVSBAVCSJ-UHFFFAOYSA-N 0 0 305.378 0.394 50 0 DCAARN COc1cc(S(=O)(=O)NCCO)ccc1Br ZINC000011566255 395686706 /nfs/dbraw/zinc/68/67/06/395686706.db2.gz CIOSUPBMSNVMSH-UHFFFAOYSA-N 0 0 310.169 0.728 50 0 DCAARN O=C1C2=C(CN1CCCO)NC(=O)N[C@H]2c1cccc(F)c1 ZINC000012113440 395687053 /nfs/dbraw/zinc/68/70/53/395687053.db2.gz VZBNIRLYWMYWLI-ZDUSSCGKSA-N 0 0 305.309 0.658 50 0 DCAARN COc1nn(C)cc1-c1nnc(SCC(=O)NC(C)C)n1C ZINC000012422593 395687561 /nfs/dbraw/zinc/68/75/61/395687561.db2.gz XWXHJEGXEHQFLQ-UHFFFAOYSA-N 0 0 324.410 0.841 50 0 DCAARN COc1ccccc1N1C[C@H](C(=O)Nc2nc[nH]n2)CC1=O ZINC000012406549 395687583 /nfs/dbraw/zinc/68/75/83/395687583.db2.gz CRMLUSIKYMHEAK-SECBINFHSA-N 0 0 301.306 0.805 50 0 DCAARN O=S(=O)(NCc1ccc2c(c1)OCO2)N1CCOCC1 ZINC000012420471 395687604 /nfs/dbraw/zinc/68/76/04/395687604.db2.gz YDWGFSCWNOHYET-UHFFFAOYSA-N 0 0 300.336 0.082 50 0 DCAARN C=COCCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000012417106 395687673 /nfs/dbraw/zinc/68/76/73/395687673.db2.gz YMSJRZMKFSPNKE-VIFPVBQESA-N 0 0 312.347 0.844 50 0 DCAARN COCCNC(=O)[C@H]1CC(c2ccc(OC)c(OC)c2)=NO1 ZINC000012848239 395687981 /nfs/dbraw/zinc/68/79/81/395687981.db2.gz RBVUVOCKFHBACP-CQSZACIVSA-N 0 0 308.334 0.959 50 0 DCAARN CCOC(=O)C1=C(COC(=O)c2ccccn2)NC(=O)NC1 ZINC000012846873 395688082 /nfs/dbraw/zinc/68/80/82/395688082.db2.gz KOMVGTMJHPKSDN-UHFFFAOYSA-N 0 0 305.290 0.368 50 0 DCAARN CN(C(=O)CCNC(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000012775944 395688083 /nfs/dbraw/zinc/68/80/83/395688083.db2.gz LFKDCPXLXMHAFK-ZDUSSCGKSA-N 0 0 324.402 0.452 50 0 DCAARN CN(Cc1nc2ccccc2c(=O)[nH]1)c1ccc2nnnn2n1 ZINC000012879268 395688100 /nfs/dbraw/zinc/68/81/00/395688100.db2.gz IYSALMHZKBYPFX-UHFFFAOYSA-N 0 0 308.305 0.392 50 0 DCAARN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000013580489 395688747 /nfs/dbraw/zinc/68/87/47/395688747.db2.gz WXMHQDGZKUOCQJ-SECBINFHSA-N 0 0 316.354 0.720 50 0 DCAARN Cc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CCCO)C3)cc1 ZINC000014113974 395689148 /nfs/dbraw/zinc/68/91/48/395689148.db2.gz KKNBYLWKGJWRNH-CQSZACIVSA-N 0 0 301.346 0.828 50 0 DCAARN Cc1cc(NC(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)no1 ZINC000014137725 395689179 /nfs/dbraw/zinc/68/91/79/395689179.db2.gz ATNOPXRXYUGHTR-CYBMUJFWSA-N 0 0 314.345 0.834 50 0 DCAARN CN(C)c1nc(N)nc(Cn2cc(C(F)(F)F)ccc2=O)n1 ZINC000014158262 395689242 /nfs/dbraw/zinc/68/92/42/395689242.db2.gz WBLWDMQWJNCYCJ-UHFFFAOYSA-N 0 0 314.271 0.749 50 0 DCAARN c1ccc(Cn2nnnc2Sc2ccc3nnnn3n2)cc1 ZINC000014139070 395689244 /nfs/dbraw/zinc/68/92/44/395689244.db2.gz OOMCHEFEAXYRBB-UHFFFAOYSA-N 0 0 311.334 0.705 50 0 DCAARN CCN(c1ccccc1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000014187474 395689286 /nfs/dbraw/zinc/68/92/86/395689286.db2.gz LSOKVRPUOSIKSO-UHFFFAOYSA-N 0 0 323.374 0.299 50 0 DCAARN O=C(CCN1C(=O)c2ccccc2C1=O)NN1CCOCC1 ZINC000014231739 395689335 /nfs/dbraw/zinc/68/93/35/395689335.db2.gz BQCYFYHGEOVOPD-UHFFFAOYSA-N 0 0 303.318 0.036 50 0 DCAARN CN1CC(=O)N2CCN(Cc3cccc(Cl)c3)C[C@@H]2C1=O ZINC000014740921 395689670 /nfs/dbraw/zinc/68/96/70/395689670.db2.gz RUWDWYBNADTVHK-CYBMUJFWSA-N 0 0 307.781 0.825 50 0 DCAARN Nc1nc(N)nc(CSc2ncn(-c3ccccc3)n2)n1 ZINC000014805447 395689692 /nfs/dbraw/zinc/68/96/92/395689692.db2.gz IXSIKQFSPRBCGF-UHFFFAOYSA-N 0 0 300.351 0.909 50 0 DCAARN Cc1cc(OCCN2CCOCC2)nc(N2CCOCC2)n1 ZINC000019928476 395691185 /nfs/dbraw/zinc/69/11/85/395691185.db2.gz YJSQFLQRRQFBSJ-UHFFFAOYSA-N 0 0 308.382 0.333 50 0 DCAARN Nc1cc(C(=O)N2CCOCC2)cc(C(=O)N2CCOCC2)c1 ZINC000000038346 395679701 /nfs/dbraw/zinc/67/97/01/395679701.db2.gz WDXUSIDRWUUKJN-UHFFFAOYSA-N 0 0 319.361 0.214 50 0 DCAARN O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCSC1=O ZINC000000182433 395679936 /nfs/dbraw/zinc/67/99/36/395679936.db2.gz SIHOMBUNZPZDHE-JTQLQIEISA-N 0 0 304.327 0.431 50 0 DCAARN CC[C@@H]1C(=O)N=C(SCC(=O)Nc2cc(C)on2)NC1=O ZINC000000209659 395680120 /nfs/dbraw/zinc/68/01/20/395680120.db2.gz YMHHLCMWHNSARH-UHFFFAOYSA-N 0 0 310.335 0.693 50 0 DCAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCCCC1 ZINC000000350277 395680171 /nfs/dbraw/zinc/68/01/71/395680171.db2.gz HUAAVUJJVWUMCT-UHFFFAOYSA-N 0 0 308.359 0.844 50 0 DCAARN CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000000414004 395680422 /nfs/dbraw/zinc/68/04/22/395680422.db2.gz DSPGNJKAJAZTSA-UHFFFAOYSA-N 0 0 312.391 0.938 50 0 DCAARN CCOC(=O)C1(C(=O)OCC)Oc2c(cccc2OC)[C@H]1O ZINC000000542885 395680547 /nfs/dbraw/zinc/68/05/47/395680547.db2.gz UTEBKOHNXIQNFD-GFCCVEGCSA-N 0 0 310.302 0.986 50 0 DCAARN COC(=O)CSc1nc(N(C)C)nc(N2CCOCC2)n1 ZINC000000810527 395680665 /nfs/dbraw/zinc/68/06/65/395680665.db2.gz HDVKDWISGDJTPX-UHFFFAOYSA-N 0 0 313.383 0.039 50 0 DCAARN CC(C)C[C@H](NC(=O)[C@@H](O)[C@H]([NH3+])Cc1ccccc1)C(=O)[O-] ZINC000001542895 395680885 /nfs/dbraw/zinc/68/08/85/395680885.db2.gz VGGGPCQERPFHOB-RDBSUJKOSA-N 0 0 308.378 0.533 50 0 investigational DCAARN COC(=O)[C@H](C)NC(=O)CCNC(=O)OCc1ccccc1 ZINC000001640091 395680892 /nfs/dbraw/zinc/68/08/92/395680892.db2.gz CJZOYKZYPHUDRB-NSHDSACASA-N 0 0 308.334 0.981 50 0 DCAARN COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H]2CCCO2)c1 ZINC000002501289 395681516 /nfs/dbraw/zinc/68/15/16/395681516.db2.gz VFWCHPITFIBGJU-NSHDSACASA-N 0 0 308.334 0.938 50 0 DCAARN O=C(NCCNC(=O)[C@@H]1CCCNC1=O)c1ccc(Cl)cc1 ZINC000002450164 395681611 /nfs/dbraw/zinc/68/16/11/395681611.db2.gz SOCKAZVPAIAPEI-GFCCVEGCSA-N 0 0 323.780 0.712 50 0 DCAARN Cc1cccc(-n2nnnc2SCC(=O)N2CCOCC2)c1 ZINC000002634239 395681726 /nfs/dbraw/zinc/68/17/26/395681726.db2.gz PTBLOJSJIQBIEE-UHFFFAOYSA-N 0 0 319.390 0.922 50 0 DCAARN COCCCNC(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC000002855786 395681867 /nfs/dbraw/zinc/68/18/67/395681867.db2.gz LDVSCIDZCVTTEY-UHFFFAOYSA-N 0 0 317.436 0.335 50 0 DCAARN COCCNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000002902632 395682127 /nfs/dbraw/zinc/68/21/27/395682127.db2.gz XSGDDWLPYPZIAQ-UHFFFAOYSA-N 0 0 310.350 0.125 50 0 biogenic DCAARN CCOc1ccc(C(=O)CC[NH2+][C@H](CC(N)=O)C(=O)[O-])cc1 ZINC000002922191 395682168 /nfs/dbraw/zinc/68/21/68/395682168.db2.gz OKYWQBFLQXCLLD-GFCCVEGCSA-N 0 0 308.334 0.576 50 0 DCAARN COC(=O)C1=CN2C=CC=CC2=C(C(=O)OC)[C@@H]1C(=O)OC ZINC000003132216 395682316 /nfs/dbraw/zinc/68/23/16/395682316.db2.gz KYMUWNNRQJYFNG-LLVKDONJSA-N 0 0 305.286 0.659 50 0 DCAARN COc1ccc(S(=O)(=O)N(C)C)cc1N(C)S(C)(=O)=O ZINC000005554025 395682751 /nfs/dbraw/zinc/68/27/51/395682751.db2.gz CCXGWWAJDITPMD-UHFFFAOYSA-N 0 0 322.408 0.341 50 0 DCAARN O=S(=O)(Cc1ccccc1)N1CCN(C[C@@H](O)C2CC2)CC1 ZINC000085467004 395700850 /nfs/dbraw/zinc/70/08/50/395700850.db2.gz WLXYPXIGJUKUIA-MRXNPFEDSA-N 0 0 324.446 0.905 50 0 DCAARN CCS(=O)(=O)N1CCN(C[C@H](O)c2cccs2)CC1 ZINC000085467254 395700972 /nfs/dbraw/zinc/70/09/72/395700972.db2.gz YWLVUXJRJDNNQU-NSHDSACASA-N 0 0 304.437 0.749 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)cc1F ZINC000030333033 395702337 /nfs/dbraw/zinc/70/23/37/395702337.db2.gz AOVARUVDMGNDQP-LLVKDONJSA-N 0 0 316.354 0.863 50 0 DCAARN Cn1cc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)cn1 ZINC000085879715 395702515 /nfs/dbraw/zinc/70/25/15/395702515.db2.gz WAFOEQRJZLJXLE-GFCCVEGCSA-N 0 0 313.317 0.499 50 0 biogenic DCAARN COCCNC(=O)[C@@H]1CCCN(c2ccc3nnc(C)n3n2)C1 ZINC000032096051 395709310 /nfs/dbraw/zinc/70/93/10/395709310.db2.gz UOFJQQWDDXLPPF-GFCCVEGCSA-N 0 0 318.381 0.412 50 0 DCAARN NS(=O)(=O)N1CCC(C(=O)NCC2CCCCC2)CC1 ZINC000032648568 395711901 /nfs/dbraw/zinc/71/19/01/395711901.db2.gz UFKAZVZDPDKRNB-UHFFFAOYSA-N 0 0 303.428 0.598 50 0 DCAARN Cc1ccc(N2N=C(C(=O)NCc3ccccn3)NCC2=O)cc1 ZINC000032646578 395711954 /nfs/dbraw/zinc/71/19/54/395711954.db2.gz YRJCSDOTSKJVGB-UHFFFAOYSA-N 0 0 323.356 0.956 50 0 DCAARN O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1ccc(F)cc1 ZINC000032689127 395712415 /nfs/dbraw/zinc/71/24/15/395712415.db2.gz YJNSBFCQFGPBNY-UHFFFAOYSA-N 0 0 305.265 0.717 50 0 DCAARN CNC(=O)c1ccc(NC(=O)CN2CCC(C(N)=O)CC2)cc1 ZINC000032753251 395712650 /nfs/dbraw/zinc/71/26/50/395712650.db2.gz WNJROOXDYPHPIK-UHFFFAOYSA-N 0 0 318.377 0.182 50 0 DCAARN CCCNC(=O)CSc1nnc([C@H]2CCS(=O)(=O)C2)o1 ZINC000032777765 395713111 /nfs/dbraw/zinc/71/31/11/395713111.db2.gz CYAWEPIHKGMBNU-QMMMGPOBSA-N 0 0 319.408 0.590 50 0 DCAARN CNC(=O)[C@H]1Cc2ccccc2CN1CC(=O)N1CCOCC1 ZINC000032804035 395713564 /nfs/dbraw/zinc/71/35/64/395713564.db2.gz KVMMOTOOVQISNM-OAHLLOKOSA-N 0 0 317.389 0.018 50 0 DCAARN COc1ncccc1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000032796903 395713598 /nfs/dbraw/zinc/71/35/98/395713598.db2.gz UBDVZJKTXPVTSD-UHFFFAOYSA-N 0 0 313.379 0.198 50 0 DCAARN COc1ccc(CN(C)C(=O)Cn2ccc(=O)[nH]c2=O)cc1F ZINC000032819108 395713640 /nfs/dbraw/zinc/71/36/40/395713640.db2.gz TZVGIIQDVSEPTH-UHFFFAOYSA-N 0 0 321.308 0.343 50 0 DCAARN O=S(=O)(NCCN1CCOCC1)c1cncc(Cl)c1 ZINC000089764638 395714938 /nfs/dbraw/zinc/71/49/38/395714938.db2.gz NEVOWVXEJSZVSU-UHFFFAOYSA-N 0 0 305.787 0.346 50 0 DCAARN CON(C)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000032978617 395715297 /nfs/dbraw/zinc/71/52/97/395715297.db2.gz ILLPSDQSRKOLKZ-JTQLQIEISA-N 0 0 306.318 0.831 50 0 DCAARN CCN1CCN(C(=O)Cn2c3ccccc3nc(C)c2=O)CC1 ZINC000032974607 395715315 /nfs/dbraw/zinc/71/53/15/395715315.db2.gz PKFYGXQEUCLVJG-UHFFFAOYSA-N 0 0 314.389 0.869 50 0 DCAARN CC(C)c1nnc([C@@H]2CN(C(=O)c3cnns3)CCO2)[nH]1 ZINC000089893538 395716035 /nfs/dbraw/zinc/71/60/35/395716035.db2.gz AGYDXCRNGFAWAZ-QMMMGPOBSA-N 0 0 308.367 0.993 50 0 DCAARN CNC(=O)[C@@H]1CCCCN1C(=O)c1cnc2n(c1=O)CCS2 ZINC000033212301 395716402 /nfs/dbraw/zinc/71/64/02/395716402.db2.gz OTBRHIQANIPREB-JTQLQIEISA-N 0 0 322.390 0.090 50 0 DCAARN CCn1nc(C)c2ccn(CC(=O)NCCCOC)c(=O)c21 ZINC000033171579 395716559 /nfs/dbraw/zinc/71/65/59/395716559.db2.gz UBYXANKWXRBUMF-UHFFFAOYSA-N 0 0 306.366 0.679 50 0 DCAARN C[C@H]1c2cccn2CCN1C(=O)CNC(=O)C1CCOCC1 ZINC000089941532 395717093 /nfs/dbraw/zinc/71/70/93/395717093.db2.gz XYYWPSDMIFOQII-LBPRGKRZSA-N 0 0 305.378 0.934 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(Br)c[nH]1 ZINC000035179961 395719449 /nfs/dbraw/zinc/71/94/49/395719449.db2.gz QJCBXEKPKIYARK-SSDOTTSWSA-N 0 0 307.169 0.694 50 0 DCAARN COC[C@@H](C)NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O ZINC000035598206 395720909 /nfs/dbraw/zinc/72/09/09/395720909.db2.gz JLGIZOBHSWTTLM-ZWNOBZJWSA-N 0 0 319.361 0.668 50 0 DCAARN Cc1ccc(-n2nnnc2SCC(=O)NCCO)c(C)c1 ZINC000028166654 395695768 /nfs/dbraw/zinc/69/57/68/395695768.db2.gz ADASKQDPBBPHJF-UHFFFAOYSA-N 0 0 307.379 0.480 50 0 DCAARN C[C@H]1CN(C(=O)CCn2nnc3ccccc3c2=O)C[C@H](C)O1 ZINC000028655874 395696255 /nfs/dbraw/zinc/69/62/55/395696255.db2.gz MZLFGVDBNQCSDN-RYUDHWBXSA-N 0 0 316.361 0.817 50 0 DCAARN CC(C)Cn1c(N)c(C(=O)CN2CCC[C@H](C)C2)c(=O)[nH]c1=O ZINC000028903819 395696407 /nfs/dbraw/zinc/69/64/07/395696407.db2.gz VVYMXDZCQIAHRI-NSHDSACASA-N 0 0 322.409 0.689 50 0 DCAARN O=C(c1cnn2cccnc12)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000084614912 395698434 /nfs/dbraw/zinc/69/84/34/395698434.db2.gz NVERGPBCQGIPSU-UONOGXRCSA-N 0 0 315.377 0.401 50 0 DCAARN COCCNS(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1 ZINC000029506331 395698654 /nfs/dbraw/zinc/69/86/54/395698654.db2.gz UZNWSOJKGKVEJJ-UHFFFAOYSA-N 0 0 312.391 0.847 50 0 DCAARN CN1CCO[C@H](CN(C(=O)[C@@H]2CCCO2)c2nccs2)C1 ZINC000095402113 395740300 /nfs/dbraw/zinc/74/03/00/395740300.db2.gz VVJPWRNMYJPYQS-RYUDHWBXSA-N 0 0 311.407 0.986 50 0 DCAARN CN(Cc1noc(C2CC2)n1)[C@H]1CCN([C@@H]2CCOC2=O)C1 ZINC000095402319 395740385 /nfs/dbraw/zinc/74/03/85/395740385.db2.gz RWRYHVFMNGPZLZ-NWDGAFQWSA-N 0 0 306.366 0.769 50 0 DCAARN COc1ccccc1N1CCN(C(=O)c2cn(C)nn2)CC1 ZINC000041502023 395738052 /nfs/dbraw/zinc/73/80/52/395738052.db2.gz JVQZHTVXOOSBAF-UHFFFAOYSA-N 0 0 301.350 0.786 50 0 DCAARN COCCCNC(=O)[C@@H](C)N1CCN(c2cnccn2)CC1 ZINC000042633341 395747300 /nfs/dbraw/zinc/74/73/00/395747300.db2.gz XTJJVGHARBDWRS-CYBMUJFWSA-N 0 0 307.398 0.140 50 0 DCAARN O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1cccnc1 ZINC000042394543 395744780 /nfs/dbraw/zinc/74/47/80/395744780.db2.gz WYFCIRSYNQDMAA-CABCVRRESA-N 0 0 305.378 0.549 50 0 DCAARN Cc1c(-c2cc(C(=O)N3CC[C@](C)(O)[C@@H](O)C3)no2)cnn1C ZINC000096135838 395745516 /nfs/dbraw/zinc/74/55/16/395745516.db2.gz WDEKMBXXIKOFRX-ZFWWWQNUSA-N 0 0 320.349 0.341 50 0 DCAARN CCc1c(C)nn(C)c1NC(=O)NCCSc1nnnn1C ZINC000096133042 395745581 /nfs/dbraw/zinc/74/55/81/395745581.db2.gz LWCDMDHNYKUDST-UHFFFAOYSA-N 0 0 324.414 0.728 50 0 DCAARN CSCCc1nc(-c2cnc(C3CC3)[nH]c2=O)n(CCO)n1 ZINC000096131213 395745837 /nfs/dbraw/zinc/74/58/37/395745837.db2.gz TZULLJLQQUSCBA-UHFFFAOYSA-N 0 0 321.406 0.804 50 0 DCAARN COCCN1C[C@H](Nc2nc3c(s2)c(C)nn3C)CC1=O ZINC000096151610 395746345 /nfs/dbraw/zinc/74/63/45/395746345.db2.gz WPKBXLYGDAGENL-SECBINFHSA-N 0 0 309.395 0.997 50 0 DCAARN CO[C@@H](CNC(=O)CN1C(=O)CCC1=O)c1cccc(F)c1 ZINC000096388009 395752780 /nfs/dbraw/zinc/75/27/80/395752780.db2.gz AEHKEIAXNGIEAC-LBPRGKRZSA-N 0 0 308.309 0.778 50 0 DCAARN Cc1nsc(N2CCN(CC(=O)NCC(F)(F)F)CC2)n1 ZINC000096444980 395753296 /nfs/dbraw/zinc/75/32/96/395753296.db2.gz CXEQKFQVGXBRMY-UHFFFAOYSA-N 0 0 323.344 0.647 50 0 DCAARN CCn1nc(C)c(S(=O)(=O)N2CCCn3ncnc32)c1C ZINC000096433466 395753454 /nfs/dbraw/zinc/75/34/54/395753454.db2.gz FYJPXXAVMZOOBQ-UHFFFAOYSA-N 0 0 310.383 0.710 50 0 DCAARN CNC(=O)[C@H]1CN(Cc2nc(-c3ccccc3)no2)CCO1 ZINC000097082034 395755007 /nfs/dbraw/zinc/75/50/07/395755007.db2.gz BDYBPNIJTSNNJB-GFCCVEGCSA-N 0 0 302.334 0.683 50 0 DCAARN Cc1nnc2n1C[C@@H](NC(=O)CS(=O)(=O)CC(C)C)CC2 ZINC000097198658 395755669 /nfs/dbraw/zinc/75/56/69/395755669.db2.gz ZJWSQADXRYQTJH-NSHDSACASA-N 0 0 314.411 0.088 50 0 DCAARN Cc1nn2c(nc(CN3CCn4ccnc4C3)cc2=O)s1 ZINC000097201630 395756074 /nfs/dbraw/zinc/75/60/74/395756074.db2.gz QPFAYXFFPMERRV-UHFFFAOYSA-N 0 0 302.363 0.672 50 0 DCAARN CC(=O)N1CCN(C(=O)c2ccn(C(C)(C)C)c2)C[C@H](O)C1 ZINC000097696224 395759545 /nfs/dbraw/zinc/75/95/45/395759545.db2.gz RTQRHRYHSGCWCF-CQSZACIVSA-N 0 0 307.394 0.908 50 0 DCAARN CC(=O)N1CCN(C(=O)c2ccc3c(c2)CCC3)C[C@H](O)C1 ZINC000097655328 395759941 /nfs/dbraw/zinc/75/99/41/395759941.db2.gz WHLKZDIEJUJAIA-MRXNPFEDSA-N 0 0 302.374 0.841 50 0 DCAARN Cc1csc([C@H](C)N(C)C(=O)c2cc(=O)n(C)c(=O)n2C)n1 ZINC000097679817 395760040 /nfs/dbraw/zinc/76/00/40/395760040.db2.gz YPWRDKNHJLOJMD-VIFPVBQESA-N 0 0 322.390 0.682 50 0 DCAARN CCOc1ccc2nc(C(=O)NCCN3CCOCC3)cn2n1 ZINC000097938820 395761377 /nfs/dbraw/zinc/76/13/77/395761377.db2.gz CHAXHLIEEOSBEX-UHFFFAOYSA-N 0 0 319.365 0.190 50 0 DCAARN CCOc1nccnc1NC1CCN(S(C)(=O)=O)CC1 ZINC000097942319 395761409 /nfs/dbraw/zinc/76/14/09/395761409.db2.gz WMUHQKJBNOBPLH-UHFFFAOYSA-N 0 0 300.384 0.711 50 0 DCAARN CCCC(=O)Nc1ccc(C)n(CC(=O)N2CCOCC2)c1=O ZINC000097938291 395761472 /nfs/dbraw/zinc/76/14/72/395761472.db2.gz PUGMWSWMCRYXSU-UHFFFAOYSA-N 0 0 321.377 0.754 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)OC[C@@H]2C)c1 ZINC000045448782 395763169 /nfs/dbraw/zinc/76/31/69/395763169.db2.gz AAMZKXRLAHWSEP-QWRGUYRKSA-N 0 0 312.391 0.844 50 0 DCAARN O=C(Cn1cnnn1)NCc1ccc(N2CCCCC2)nc1 ZINC000048250328 395811662 /nfs/dbraw/zinc/81/16/62/395811662.db2.gz DEKGFFATTLCMLY-UHFFFAOYSA-N 0 0 301.354 0.375 50 0 DCAARN CN(C(=O)NCCCn1cccn1)[C@H]1CCS(=O)(=O)C1 ZINC000048264483 395811677 /nfs/dbraw/zinc/81/16/77/395811677.db2.gz HHNKNZWIGRZESN-NSHDSACASA-N 0 0 300.384 0.102 50 0 DCAARN Cc1nc(CN2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)no1 ZINC000112295420 395815196 /nfs/dbraw/zinc/81/51/96/395815196.db2.gz IZDQTQXFSQRVAV-UHFFFAOYSA-N 0 0 316.365 0.548 50 0 DCAARN OCC[N@@H+]1CCN(Cc2cnn(-c3ccccc3)c2)C[C@H](O)C1 ZINC000225342537 395858911 /nfs/dbraw/zinc/85/89/11/395858911.db2.gz ODVHWNIUYRAJQR-QGZVFWFLSA-N 0 0 316.405 0.343 50 0 DCAARN COc1cncc(O[C@@H]2CCN(C(=O)N3CCOCC3)C2)n1 ZINC000225396331 395858986 /nfs/dbraw/zinc/85/89/86/395858986.db2.gz FDMJTZSTMKUIMP-LLVKDONJSA-N 0 0 308.338 0.391 50 0 DCAARN C[C@@H]1NC(=S)N(Cc2ccc(NS(C)(=O)=O)cc2)C1=O ZINC000048642168 395821061 /nfs/dbraw/zinc/82/10/61/395821061.db2.gz XTMDQRLADZHPPM-QMMMGPOBSA-N 0 0 313.404 0.663 50 0 DCAARN COc1nccnc1O[C@H]1CCN(C(=O)N2CCN(C)CC2)C1 ZINC000225390000 395859389 /nfs/dbraw/zinc/85/93/89/395859389.db2.gz YLMWIEQTODYORL-LBPRGKRZSA-N 0 0 321.381 0.306 50 0 DCAARN CCc1nc(C)c(CC(=O)NCc2cc(COC)n[nH]2)c(=O)[nH]1 ZINC000219071873 395844529 /nfs/dbraw/zinc/84/45/29/395844529.db2.gz LZHRULHOCIFLIN-UHFFFAOYSA-N 0 0 319.365 0.369 50 0 DCAARN Cc1nonc1OCCNC(=O)CCN1CCCCCC1=O ZINC000220724139 395849373 /nfs/dbraw/zinc/84/93/73/395849373.db2.gz RBKOHYIBWJCZDS-UHFFFAOYSA-N 0 0 310.354 0.666 50 0 DCAARN O=C(Cc1ccc2c(c1)OCO2)NCCSc1c[nH]nn1 ZINC000221308765 395850203 /nfs/dbraw/zinc/85/02/03/395850203.db2.gz NYPOTTJQAZYCMI-UHFFFAOYSA-N 0 0 306.347 0.984 50 0 DCAARN O=C(Cn1ccc(=O)cc1)N[C@@H]1CCOC[C@H]1OCC1CCC1 ZINC000223214012 395853954 /nfs/dbraw/zinc/85/39/54/395853954.db2.gz BANOKJOKPPPCEK-HZPDHXFCSA-N 0 0 320.389 0.939 50 0 DCAARN O=C(Cn1ccnn1)N[C@@H]1CCOC[C@H]1OCc1cscn1 ZINC000223160618 395853978 /nfs/dbraw/zinc/85/39/78/395853978.db2.gz NWODCLBUHQXOCS-VXGBXAGGSA-N 0 0 323.378 0.225 50 0 DCAARN CC(C)Cc1noc(CNC(=O)CCC2=NNC(=O)CC2)n1 ZINC000223136784 395854237 /nfs/dbraw/zinc/85/42/37/395854237.db2.gz INTCDUXVXPRPDR-UHFFFAOYSA-N 0 0 307.354 0.931 50 0 DCAARN COC[C@H]1[C@@H](NC(=O)c2cc3c([nH]c2=O)CCC3)[C@@H]2CCO[C@H]12 ZINC000223337565 395854941 /nfs/dbraw/zinc/85/49/41/395854941.db2.gz LACDYEPRJUHZSO-LVGORTOPSA-N 0 0 318.373 0.643 50 0 DCAARN CCOC(=O)CN1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000051764757 395855213 /nfs/dbraw/zinc/85/52/13/395855213.db2.gz NJESQKRSJYZCLP-CHWSQXEVSA-N 0 0 312.410 0.897 50 0 DCAARN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCCC(=O)N(C)C ZINC000223291882 395855215 /nfs/dbraw/zinc/85/52/15/395855215.db2.gz QWFVCGGBTJCDPR-SNVBAGLBSA-N 0 0 308.334 0.777 50 0 DCAARN Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ncc(F)cc2F)C1 ZINC000223481007 395855823 /nfs/dbraw/zinc/85/58/23/395855823.db2.gz NPPYCRFIHLYKHF-XWEPSHTISA-N 0 0 323.303 0.657 50 0 DCAARN Cn1cccc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c1=O ZINC000223773706 395856855 /nfs/dbraw/zinc/85/68/55/395856855.db2.gz WJQXGCCTDVJADP-KGLIPLIRSA-N 0 0 306.362 0.699 50 0 DCAARN C[C@@H](NS(=O)(=O)c1cccc2nsnc21)c1nncn1C ZINC000047331464 395790801 /nfs/dbraw/zinc/79/08/01/395790801.db2.gz ONTGLRPRUPEFFT-SSDOTTSWSA-N 0 0 324.391 0.859 50 0 DCAARN C[C@@H]1CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@@H](C)O1 ZINC000047439505 395792275 /nfs/dbraw/zinc/79/22/75/395792275.db2.gz RINKELBNALVDDC-VXGBXAGGSA-N 0 0 301.350 0.841 50 0 DCAARN Cc1noc([C@@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)n1 ZINC000054121415 395893842 /nfs/dbraw/zinc/89/38/42/395893842.db2.gz AXJKCFCXWJMFEZ-SNVBAGLBSA-N 0 0 305.338 0.692 50 0 DCAARN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCN(c2nccs2)CC1 ZINC000054620893 395903761 /nfs/dbraw/zinc/90/37/61/395903761.db2.gz XOLMBBSQYNTWHH-CHWSQXEVSA-N 0 0 324.450 0.949 50 0 DCAARN CCNC(=O)[C@H]1CCN(C(=O)CSc2nnc(CC)[nH]2)C1 ZINC000055108555 395911598 /nfs/dbraw/zinc/91/15/98/395911598.db2.gz JQJDCORUASVMIB-VIFPVBQESA-N 0 0 311.411 0.444 50 0 DCAARN C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(N)=O ZINC000055214518 395914359 /nfs/dbraw/zinc/91/43/59/395914359.db2.gz QDZPAGUQOHXHBH-MRVPVSSYSA-N 0 0 311.363 0.114 50 0 DCAARN CC[C@@H](C)n1nccc1NC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC000055269832 395915563 /nfs/dbraw/zinc/91/55/63/395915563.db2.gz CVUPVILLMFTFOP-SNVBAGLBSA-N 0 0 305.338 0.651 50 0 DCAARN CCOC(=O)N[C@@H]1CCCN(C(=O)CCN2CCOC2=O)C1 ZINC000055280781 395915718 /nfs/dbraw/zinc/91/57/18/395915718.db2.gz SZRCABIDVOLUTD-LLVKDONJSA-N 0 0 313.354 0.566 50 0 DCAARN Cc1ccc(O[C@@H]2CCN(C(=O)Cn3ncccc3=O)C2)nc1 ZINC000238935464 395923148 /nfs/dbraw/zinc/92/31/48/395923148.db2.gz VLVGIDCTLZLBOP-CYBMUJFWSA-N 0 0 314.345 0.627 50 0 DCAARN C[C@H](CNS(=O)(=O)N1CCCCC1)N1CCCCC1=O ZINC000225548226 395861718 /nfs/dbraw/zinc/86/17/18/395861718.db2.gz AQCXTCIZBYZESJ-GFCCVEGCSA-N 0 0 303.428 0.708 50 0 DCAARN COCCNc1nnc(S(=O)(=O)Cc2cccnc2)s1 ZINC000225685489 395862264 /nfs/dbraw/zinc/86/22/64/395862264.db2.gz VKVIBTRYHFKPMP-UHFFFAOYSA-N 0 0 314.392 0.965 50 0 DCAARN CCOC(=O)C(C)(C)c1csc(Cn2ccc(=O)[nH]c2=O)n1 ZINC000225565777 395862308 /nfs/dbraw/zinc/86/23/08/395862308.db2.gz MSPXRCFOKCAQQJ-UHFFFAOYSA-N 0 0 323.374 0.882 50 0 DCAARN CN(CC(=O)NCC(F)(F)F)c1ncnc2c1cnn2C ZINC000052314010 395862568 /nfs/dbraw/zinc/86/25/68/395862568.db2.gz HNQJXYFIYOXPLE-UHFFFAOYSA-N 0 0 302.260 0.478 50 0 DCAARN CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(C)nc(NC)n1 ZINC000225559387 395862563 /nfs/dbraw/zinc/86/25/63/395862563.db2.gz BOZPBGLXRNMYAE-SECBINFHSA-N 0 0 300.384 0.380 50 0 DCAARN COc1ccccc1CC(=O)N[C@H]1CCc2n[nH]c(=O)cc2C1 ZINC000225785765 395863741 /nfs/dbraw/zinc/86/37/41/395863741.db2.gz MXFAWPJYDFLAKB-ZDUSSCGKSA-N 0 0 313.357 0.995 50 0 DCAARN CN(C)C(=O)N1CCC(C(=O)NCCNc2ncccn2)CC1 ZINC000052776037 395869858 /nfs/dbraw/zinc/86/98/58/395869858.db2.gz ICMSJJRYRKBDJT-UHFFFAOYSA-N 0 0 320.397 0.398 50 0 DCAARN C[C@H](C(=O)NC1CCCC1)N1CCN(S(C)(=O)=O)CC1 ZINC000052797901 395870160 /nfs/dbraw/zinc/87/01/60/395870160.db2.gz NSIRMNZIUYZWFK-LLVKDONJSA-N 0 0 303.428 0.011 50 0 DCAARN CN(CC(=O)NC(C)(C)C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000052799390 395870281 /nfs/dbraw/zinc/87/02/81/395870281.db2.gz FYSOGFQYQMOHBZ-UHFFFAOYSA-N 0 0 306.370 0.003 50 0 DCAARN O=c1ccc(-n2cncn2)nn1CN1CCO[C@H]2CCCC[C@H]21 ZINC000230254555 395880079 /nfs/dbraw/zinc/88/00/79/395880079.db2.gz UJYKBDURWXERMH-OLZOCXBDSA-N 0 0 316.365 0.425 50 0 DCAARN COC(=O)Cc1cc(Br)ccc1S(N)(=O)=O ZINC000231542901 395884432 /nfs/dbraw/zinc/88/44/32/395884432.db2.gz KHAJHOZGIYHENL-UHFFFAOYSA-N 0 0 308.153 0.812 50 0 DCAARN CCCS(=O)(=O)N1CCN(Cc2noc(C3CC3)n2)CC1 ZINC000053608628 395886741 /nfs/dbraw/zinc/88/67/41/395886741.db2.gz RJROQTSSUPFWAX-UHFFFAOYSA-N 0 0 314.411 0.804 50 0 DCAARN O=C(CCNc1ncncc1Br)N1CCOCC1 ZINC000135142771 395937954 /nfs/dbraw/zinc/93/79/54/395937954.db2.gz JUINNXYSZLXDGV-UHFFFAOYSA-N 0 0 315.171 0.900 50 0 DCAARN COc1ccnc(N2CCN(C(=O)[C@@H](C)n3cccn3)CC2)n1 ZINC000057254060 395941718 /nfs/dbraw/zinc/94/17/18/395941718.db2.gz LWVFPDFRLORVDP-GFCCVEGCSA-N 0 0 316.365 0.592 50 0 DCAARN CCOc1ncccc1C(=O)N[C@@H](C)C(=O)N1CCOCC1 ZINC000058343170 395953379 /nfs/dbraw/zinc/95/33/79/395953379.db2.gz MHXRLVWPDQROIL-NSHDSACASA-N 0 0 307.350 0.457 50 0 DCAARN Cc1nnc([C@@H]2CN([C@H](C)C(=O)NC[C@H]3CCCO3)CCO2)[nH]1 ZINC000246797908 395957654 /nfs/dbraw/zinc/95/76/54/395957654.db2.gz AWYMUUXWRJTBPJ-RTXFEEFZSA-N 0 0 323.397 0.170 50 0 DCAARN CCOc1nccnc1N1CC[C@@H](NS(=O)(=O)C2CC2)C1 ZINC000065268836 395992323 /nfs/dbraw/zinc/99/23/23/395992323.db2.gz DBUQXVNKXDFCNF-SNVBAGLBSA-N 0 0 312.395 0.536 50 0 DCAARN Cc1ccc(N2CCN(S(=O)(=O)c3cccnc3)CC2)nn1 ZINC000065363122 395992981 /nfs/dbraw/zinc/99/29/81/395992981.db2.gz KMZLIJKNAOFIKY-UHFFFAOYSA-N 0 0 319.390 0.691 50 0 DCAARN CCn1cnnc1CCNc1nccc(N2CCC[C@H](O)C2)n1 ZINC000065386274 395993014 /nfs/dbraw/zinc/99/30/14/395993014.db2.gz RZKCSJXSZCOMIF-LBPRGKRZSA-N 0 0 317.397 0.704 50 0 DCAARN CCOC(=O)CN1C[C@@H]2C[N@@H+](C3CCCC3)C[C@]2(C(=O)[O-])C1 ZINC000065376566 395993076 /nfs/dbraw/zinc/99/30/76/395993076.db2.gz HLVOKMHPTKKYEP-MLGOLLRUSA-N 0 0 310.394 0.811 50 0 DCAARN O=C(NCc1cc[nH]n1)NCc1ccnc(N2CCOCC2)c1 ZINC000065434526 395993406 /nfs/dbraw/zinc/99/34/06/395993406.db2.gz WWXCRTATAHOCPU-UHFFFAOYSA-N 0 0 316.365 0.641 50 0 DCAARN CC(C)=CC(=O)NC(C)(C)c1cn([C@@H]2C[NH2+][C@H](C(=O)[O-])C2)nn1 ZINC000067446835 396026570 /nfs/dbraw/zinc/02/65/70/396026570.db2.gz XEMTXYGKTKSACF-QWRGUYRKSA-N 0 0 321.381 0.583 50 0 DCAARN CN1CCCN(C(=O)CNS(C)(=O)=O)c2cc(F)ccc21 ZINC000253420294 396027664 /nfs/dbraw/zinc/02/76/64/396027664.db2.gz VXNIKBBOCYGBMJ-UHFFFAOYSA-N 0 0 315.370 0.548 50 0 DCAARN COCC(=O)N[C@@H]1CN(Cc2cnn(C(C)C)c2)C[C@H]1CO ZINC000253414366 396028040 /nfs/dbraw/zinc/02/80/40/396028040.db2.gz XGGLYUBUKCKZQM-UONOGXRCSA-N 0 0 310.398 0.019 50 0 DCAARN CC(C)NC(=O)CN(C)CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000254381967 396031548 /nfs/dbraw/zinc/03/15/48/396031548.db2.gz XUOILENAGPXTRW-LBPRGKRZSA-N 0 0 321.425 0.671 50 0 DCAARN COCC(=O)N[C@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C)C1 ZINC000067772477 396033171 /nfs/dbraw/zinc/03/31/71/396033171.db2.gz KDNMNTAZLIUTCX-JSGCOSHPSA-N 0 0 323.368 0.277 50 0 DCAARN CCS(=O)(=O)N(C)[C@H]1CCCN(S(=O)(=O)CC)CC1 ZINC000154525611 396039381 /nfs/dbraw/zinc/03/93/81/396039381.db2.gz MFOBRMLDGRUTDH-NSHDSACASA-N 0 0 312.457 0.472 50 0 DCAARN Cc1nnnn1-c1cccc(NC(=O)CCN2CCCC2=O)c1 ZINC000067972235 396041740 /nfs/dbraw/zinc/04/17/40/396041740.db2.gz SWLVJYYAZZBPIX-UHFFFAOYSA-N 0 0 314.349 0.922 50 0 DCAARN CC[C@H](NC(=O)N1CC[C@@H](S(C)(=O)=O)C1)[C@H]1CCCO1 ZINC000252484490 396020645 /nfs/dbraw/zinc/02/06/45/396020645.db2.gz FXPRTJCARURRPN-GRYCIOLGSA-N 0 0 304.412 0.773 50 0 DCAARN NC(=O)c1nc(CN2CCN(c3ccc(O)cc3)CC2)no1 ZINC000252507756 396021513 /nfs/dbraw/zinc/02/15/13/396021513.db2.gz WTNCWXTTXRNOQA-UHFFFAOYSA-N 0 0 303.322 0.196 50 0 DCAARN COc1cccc(CS(=O)(=O)N(C)CC(=O)NC2CC2)c1 ZINC000069652835 396085971 /nfs/dbraw/zinc/08/59/71/396085971.db2.gz ZGSJDJNTJSBAND-UHFFFAOYSA-N 0 0 312.391 0.735 50 0 DCAARN C[C@H](C(=O)Nc1ncccn1)N1CCC[C@H](Cn2cncn2)C1 ZINC000069662287 396086378 /nfs/dbraw/zinc/08/63/78/396086378.db2.gz ZKVJFYFTQLADDN-OLZOCXBDSA-N 0 0 315.381 0.807 50 0 DCAARN C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@H](Cn2cncn2)C1 ZINC000069662283 396086401 /nfs/dbraw/zinc/08/64/01/396086401.db2.gz ZKVJFYFTQLADDN-STQMWFEESA-N 0 0 315.381 0.807 50 0 DCAARN O=C(CN1CCN(C[C@@H](O)c2ccccc2)CC1)NCC1CC1 ZINC000069701892 396087955 /nfs/dbraw/zinc/08/79/55/396087955.db2.gz QEQKERFJNVUYFP-QGZVFWFLSA-N 0 0 317.433 0.864 50 0 DCAARN CC(C)NC(=O)[C@@H](c1ccccc1)N1CCN(CCO)CC1 ZINC000069771962 396089380 /nfs/dbraw/zinc/08/93/80/396089380.db2.gz NOQZIMSQVSRFOX-MRXNPFEDSA-N 0 0 305.422 0.862 50 0 DCAARN CC(C)NC(=O)[C@H](c1ccccc1)N1CCN(CCO)CC1 ZINC000069771966 396089558 /nfs/dbraw/zinc/08/95/58/396089558.db2.gz NOQZIMSQVSRFOX-INIZCTEOSA-N 0 0 305.422 0.862 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)c2csc(C)n2)CC1 ZINC000069817429 396091007 /nfs/dbraw/zinc/09/10/07/396091007.db2.gz FZFYPSBPSJCGPW-LBPRGKRZSA-N 0 0 313.423 0.607 50 0 DCAARN COCCC(=O)N1CC[C@@H](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000169781913 396091726 /nfs/dbraw/zinc/09/17/26/396091726.db2.gz YMSFMOLQUSHPDJ-CYBMUJFWSA-N 0 0 318.439 0.543 50 0 DCAARN CCOCC(=O)N1CC[C@H](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000169781916 396091794 /nfs/dbraw/zinc/09/17/94/396091794.db2.gz JZXQLXWDIHOWBG-ZDUSSCGKSA-N 0 0 318.439 0.543 50 0 DCAARN Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN(CC(C)(C)O)CC2)cn1 ZINC000069844774 396091903 /nfs/dbraw/zinc/09/19/03/396091903.db2.gz ZBRQCBHYTWMNIG-KBPBESRZSA-N 0 0 306.410 0.439 50 0 DCAARN COc1ccccc1CC(=O)N1CCc2nn(C)c(=O)n2CC1 ZINC000169783117 396091939 /nfs/dbraw/zinc/09/19/39/396091939.db2.gz DUHWSFVKFQUKIU-UHFFFAOYSA-N 0 0 316.361 0.218 50 0 DCAARN CCN1C(=O)[C@H]2CC3(CN2C1=O)CCN(S(C)(=O)=O)CC3 ZINC000169787256 396092694 /nfs/dbraw/zinc/09/26/94/396092694.db2.gz COCAEADFSXCJKP-SNVBAGLBSA-N 0 0 315.395 0.085 50 0 DCAARN Cc1noc([C@@H]2CN(C(=O)c3ccoc3C)C[C@H]2C(N)=O)n1 ZINC000169791200 396093428 /nfs/dbraw/zinc/09/34/28/396093428.db2.gz VXWKYAUKGNOWEQ-GHMZBOCLSA-N 0 0 304.306 0.621 50 0 DCAARN CN(C[C@@H]1CCCN1c1cccnn1)c1ccc2nnnn2n1 ZINC000069902393 396094837 /nfs/dbraw/zinc/09/48/37/396094837.db2.gz XBHGLBOWHLMANM-NSHDSACASA-N 0 0 311.353 0.415 50 0 DCAARN COC(=O)c1ccc(C(=O)N2CCc3nc[nH]c(=O)c3C2)cc1 ZINC000170685906 396097125 /nfs/dbraw/zinc/09/71/25/396097125.db2.gz JSYKAYKGOYLCGL-UHFFFAOYSA-N 0 0 313.313 0.755 50 0 DCAARN Cc1nc(C)c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)s1 ZINC000071793467 396115207 /nfs/dbraw/zinc/11/52/07/396115207.db2.gz JPMRKAIFSLPDJD-UHFFFAOYSA-N 0 0 308.363 0.574 50 0 DCAARN C[C@H]1NC(C(=O)N2CCSCC2)=NN(c2ccccc2)C1=O ZINC000071820999 396115955 /nfs/dbraw/zinc/11/59/55/396115955.db2.gz WVNALSCXAZSIDL-LLVKDONJSA-N 0 0 318.402 0.900 50 0 DCAARN O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCN(C2CC2)CC1 ZINC000071836685 396117735 /nfs/dbraw/zinc/11/77/35/396117735.db2.gz ZLCDFOVRCFPJSI-CQSZACIVSA-N 0 0 315.421 1.000 50 0 DCAARN COc1ccc2c(ccn2CC(=O)N2CCNC(=O)CC2)c1 ZINC000071839514 396117764 /nfs/dbraw/zinc/11/77/64/396117764.db2.gz RVNLXLGQFXXHRV-UHFFFAOYSA-N 0 0 301.346 0.998 50 0 DCAARN O=C(C1CCN(c2ncccn2)CC1)N1CCNC(=O)CC1 ZINC000071839530 396118060 /nfs/dbraw/zinc/11/80/60/396118060.db2.gz HYIIFIIIWYJWOX-UHFFFAOYSA-N 0 0 303.366 0.042 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)c2cc3ccccc3c(=O)[nH]2)CC1 ZINC000071871094 396120757 /nfs/dbraw/zinc/12/07/57/396120757.db2.gz PSBZORRLAVSIBA-LBPRGKRZSA-N 0 0 315.373 0.667 50 0 DCAARN Cc1nnc(CNC(=O)CN2C(=O)CSc3ccccc32)[nH]1 ZINC000071882339 396122512 /nfs/dbraw/zinc/12/25/12/396122512.db2.gz ONRIOERBCBDHIV-UHFFFAOYSA-N 0 0 317.374 0.868 50 0 DCAARN CCN(CC)S(=O)(=O)CCNC(=O)Cc1ccccc1O ZINC000071883704 396123498 /nfs/dbraw/zinc/12/34/98/396123498.db2.gz WRNCSKLLEAEDOU-UHFFFAOYSA-N 0 0 314.407 0.723 50 0 DCAARN NC(=O)[C@H]1c2ccccc2CCN1CC(=O)Nc1nncs1 ZINC000071900564 396124304 /nfs/dbraw/zinc/12/43/04/396124304.db2.gz XHMDEFGTMQDOBG-GFCCVEGCSA-N 0 0 317.374 0.561 50 0 DCAARN CC(C)S(=O)(=O)N1CCC(c2nnc3n2CCNC3)CC1 ZINC000071985166 396126605 /nfs/dbraw/zinc/12/66/05/396126605.db2.gz UKVGLWDXVWUMKS-UHFFFAOYSA-N 0 0 313.427 0.299 50 0 DCAARN CCN1CCN(C(=O)[C@H](C)N2CC(n3cc(C)cn3)C2)CC1 ZINC000072253833 396128000 /nfs/dbraw/zinc/12/80/00/396128000.db2.gz BAUMIPXSLGMTKN-AWEZNQCLSA-N 0 0 305.426 0.601 50 0 DCAARN COc1ncccc1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000072269398 396129105 /nfs/dbraw/zinc/12/91/05/396129105.db2.gz VFHDRHREPOGCFA-KGLIPLIRSA-N 0 0 305.378 0.761 50 0 DCAARN CCN1N=C(C(=O)N2CCC[C@@H](n3cncn3)C2)CCC1=O ZINC000072271469 396129120 /nfs/dbraw/zinc/12/91/20/396129120.db2.gz WOAFDOKKNHTQDV-LLVKDONJSA-N 0 0 304.354 0.440 50 0 DCAARN CC(C)Cc1nc(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)cs1 ZINC000072290756 396129865 /nfs/dbraw/zinc/12/98/65/396129865.db2.gz BPOFQNSSJPPRKF-AWEZNQCLSA-N 0 0 322.390 0.766 50 0 DCAARN CCc1cc(=O)n2nc(NCC[S@@](=O)CC)sc2n1 ZINC000072284364 396130008 /nfs/dbraw/zinc/13/00/08/396130008.db2.gz DOJYEOHERXQVDH-LJQANCHMSA-N 0 0 300.409 0.894 50 0 DCAARN Cc1nc(S(=O)(=O)NCCC(=O)NCC2CCC2)cn1C ZINC000069323292 396074683 /nfs/dbraw/zinc/07/46/83/396074683.db2.gz XUEJRWPUOIVKTR-UHFFFAOYSA-N 0 0 314.411 0.313 50 0 DCAARN CCOc1ccc(C[C@@H](CNS(=O)(=O)CC)C(N)=O)cc1 ZINC000069371673 396076647 /nfs/dbraw/zinc/07/66/47/396076647.db2.gz HXGBCFGPNQVRQJ-LBPRGKRZSA-N 0 0 314.407 0.669 50 0 DCAARN Cc1cc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)on1 ZINC000069392783 396077138 /nfs/dbraw/zinc/07/71/38/396077138.db2.gz WAZSSYFYJPONIO-LBPRGKRZSA-N 0 0 305.338 0.519 50 0 DCAARN O=S1(=O)N=C(NCc2nnc3n2CCCC3)c2ccccc21 ZINC000069435772 396078210 /nfs/dbraw/zinc/07/82/10/396078210.db2.gz JEYZZXILUQDPRN-UHFFFAOYSA-N 0 0 317.374 0.853 50 0 DCAARN CCN(CC)S(=O)(=O)N1CSC[C@H]1C(=O)N(C)C(C)C ZINC000069415784 396078288 /nfs/dbraw/zinc/07/82/88/396078288.db2.gz SODMSELBIFFUHO-NSHDSACASA-N 0 0 323.484 0.815 50 0 DCAARN Cc1cnn(C[C@@H]2CN(C[C@H](O)Cn3cccn3)CCO2)c1 ZINC000069452115 396078716 /nfs/dbraw/zinc/07/87/16/396078716.db2.gz FRVHUYVQAPHQCR-GJZGRUSLSA-N 0 0 305.382 0.150 50 0 DCAARN CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCC(=O)OC ZINC000069454400 396078989 /nfs/dbraw/zinc/07/89/89/396078989.db2.gz FLNQEBALFLZMGG-BSKOKIOFSA-N 0 0 300.380 0.533 50 0 DCAARN CCc1nnc2n1CCN(C(=O)[C@H](C)OC[C@@H]1CCCO1)C2 ZINC000069485226 396080515 /nfs/dbraw/zinc/08/05/15/396080515.db2.gz JNAAELHIZMEKNO-RYUDHWBXSA-N 0 0 308.382 0.767 50 0 DCAARN CC(=O)NCCNC(=O)CSc1nncc2ccccc21 ZINC000069558303 396083082 /nfs/dbraw/zinc/08/30/82/396083082.db2.gz ZITWJWSNFAYJDY-UHFFFAOYSA-N 0 0 304.375 0.974 50 0 DCAARN Cc1ccc(CC(=O)N2CCN([C@@H]3CCOC3=O)CC2)cc1 ZINC000069602074 396084429 /nfs/dbraw/zinc/08/44/29/396084429.db2.gz LECQQLJPZCXUKL-OAHLLOKOSA-N 0 0 302.374 0.997 50 0 DCAARN Cc1nccn1[C@@H]1CCCN(C(=O)CN2CSCC2=O)C1 ZINC000069620320 396084578 /nfs/dbraw/zinc/08/45/78/396084578.db2.gz RCMYUNILARZJTB-GFCCVEGCSA-N 0 0 308.407 0.888 50 0 DCAARN COC(=O)[C@H](NC(=O)CNC(=O)Cc1cccc(F)c1)C(C)C ZINC000069594634 396084792 /nfs/dbraw/zinc/08/47/92/396084792.db2.gz SWPOEGHQVSLWCO-OAHLLOKOSA-N 0 0 324.352 0.798 50 0 DCAARN Cn1cc(N2CCC[C@H](NC(=O)NC[C@H](O)C3CC3)C2)cn1 ZINC000074614762 396168986 /nfs/dbraw/zinc/16/89/86/396168986.db2.gz WIQQHEJRRDWTCN-JSGCOSHPSA-N 0 0 307.398 0.459 50 0 DCAARN O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC[C@H](n2cncn2)C1 ZINC000075583707 396181824 /nfs/dbraw/zinc/18/18/24/396181824.db2.gz KCWZUVUKMMWIMS-NEPJUHHUSA-N 0 0 312.395 0.266 50 0 DCAARN CC(C)c1ncc2c(n1)CN(CCCNS(C)(=O)=O)CC2 ZINC000075605973 396182375 /nfs/dbraw/zinc/18/23/75/396182375.db2.gz JMMHFPFMWZIQRH-UHFFFAOYSA-N 0 0 312.439 0.897 50 0 DCAARN Cc1ncc2c(n1)CN(C[C@@H](O)COC[C@@H]1CCCO1)CC2 ZINC000075605442 396182440 /nfs/dbraw/zinc/18/24/40/396182440.db2.gz AJZVUEOBQRNEEN-CABCVRRESA-N 0 0 307.394 0.700 50 0 DCAARN C[C@@H](C(=O)N1CCN(CCO)CC1)c1ccc2c(c1)OCCO2 ZINC000075604563 396182532 /nfs/dbraw/zinc/18/25/32/396182532.db2.gz ZQMQPIXOBCTGAT-CYBMUJFWSA-N 0 0 320.389 0.698 50 0 DCAARN Cn1cc(C(=O)CCC(=O)N[C@H]2CCCC[C@@H]2C(N)=O)cn1 ZINC000279840421 396188292 /nfs/dbraw/zinc/18/82/92/396188292.db2.gz JNHAIZXPLIHATG-RYUDHWBXSA-N 0 0 306.366 0.543 50 0 DCAARN Cn1cc(CNC(=O)c2c[nH]c(=O)c(Br)c2)cn1 ZINC000076041395 396191773 /nfs/dbraw/zinc/19/17/73/396191773.db2.gz NEVHCAHBLXQBIG-UHFFFAOYSA-N 0 0 311.139 0.801 50 0 DCAARN Cc1nnc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)[nH]1 ZINC000076045736 396193187 /nfs/dbraw/zinc/19/31/87/396193187.db2.gz DWRWDMZKUBNOOS-GFCCVEGCSA-N 0 0 305.338 0.861 50 0 DCAARN CC(C)(C)c1n[nH]c([C@@H]2CN(CCn3cncn3)CCO2)n1 ZINC000076049745 396194179 /nfs/dbraw/zinc/19/41/79/396194179.db2.gz KZSNGTCHSUMNDU-NSHDSACASA-N 0 0 305.386 0.767 50 0 DCAARN Cc1nnc([C@@H]2CN(CC(=O)NC(C3CC3)C3CC3)CCO2)[nH]1 ZINC000076048079 396194224 /nfs/dbraw/zinc/19/42/24/396194224.db2.gz MQFGXQASYOJOFE-ZDUSSCGKSA-N 0 0 319.409 0.791 50 0 DCAARN Cn1cc([C@@H]2[C@H](C(=O)OCC(=O)C3CC3)CCC(=O)N2C)cn1 ZINC000078813936 396254329 /nfs/dbraw/zinc/25/43/29/396254329.db2.gz HNRGEOIFTNXETC-IUODEOHRSA-N 0 0 319.361 0.852 50 0 DCAARN CN(CC1CC1)C(=O)CN1CCO[C@H](CNc2cccnn2)C1 ZINC000078893727 396256845 /nfs/dbraw/zinc/25/68/45/396256845.db2.gz QZVXVEMEODMXBX-CQSZACIVSA-N 0 0 319.409 0.458 50 0 DCAARN CCn1nc2c(cc1=O)CN(c1ncnc3c1cnn3C)CC2 ZINC000078931376 396258347 /nfs/dbraw/zinc/25/83/47/396258347.db2.gz BSNSNRHISODCLF-UHFFFAOYSA-N 0 0 311.349 0.503 50 0 DCAARN O=S(=O)(NCc1cccc(-c2nc[nH]n2)c1)c1c[nH]cn1 ZINC000079047979 396259997 /nfs/dbraw/zinc/25/99/97/396259997.db2.gz VCJFUTVBMNWWJH-UHFFFAOYSA-N 0 0 304.335 0.673 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1csc(NC2CC2)n1 ZINC000079487331 396266213 /nfs/dbraw/zinc/26/62/13/396266213.db2.gz BQDHHYNMTKDNKQ-MRVPVSSYSA-N 0 0 301.393 0.634 50 0 DCAARN O=S(=O)(NC[C@]1(O)CCOC1)c1cccc2cccnc21 ZINC000178986254 396217754 /nfs/dbraw/zinc/21/77/54/396217754.db2.gz ARRROTVDTOEKCN-CQSZACIVSA-N 0 0 308.359 0.665 50 0 DCAARN NC(=O)c1ccc(C(F)(F)F)nc1N1CCOC[C@H](O)C1 ZINC000077355453 396219295 /nfs/dbraw/zinc/21/92/95/396219295.db2.gz OYLBEUPOIRKBDY-SSDOTTSWSA-N 0 0 305.256 0.397 50 0 DCAARN CC(C)C[C@H](O)C1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1 ZINC000077342046 396219545 /nfs/dbraw/zinc/21/95/45/396219545.db2.gz RQEJMJMZAFMGTB-LBPRGKRZSA-N 0 0 309.366 0.735 50 0 DCAARN CS(=O)(=O)NCCC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000077408067 396221004 /nfs/dbraw/zinc/22/10/04/396221004.db2.gz OYFBPQPDYNZDRE-SNVBAGLBSA-N 0 0 300.384 0.055 50 0 DCAARN O=C(c1ccc(Cn2cccn2)o1)N1CCOC[C@@H](CO)C1 ZINC000077452408 396222957 /nfs/dbraw/zinc/22/29/57/396222957.db2.gz LOSBYOSOQZXTIF-GFCCVEGCSA-N 0 0 305.334 0.605 50 0 DCAARN Cn1cc(CC(=O)N2CCS(=O)(=O)c3ccccc3C2)cn1 ZINC000185082338 396316851 /nfs/dbraw/zinc/31/68/51/396316851.db2.gz JPBBBGMJYBKBEE-UHFFFAOYSA-N 0 0 319.386 0.779 50 0 DCAARN O=S1(=O)CCCN1CCNc1ncc(Br)cn1 ZINC000264535106 396288246 /nfs/dbraw/zinc/28/82/46/396288246.db2.gz NHAZQYNAHXOFDQ-UHFFFAOYSA-N 0 0 321.200 0.687 50 0 DCAARN CN1C[C@@H](CNC(=O)c2cccc3c2NCCC3)OCC1=O ZINC000584884221 396631844 /nfs/dbraw/zinc/63/18/44/396631844.db2.gz YJVWFNQMUZWEPY-GFCCVEGCSA-N 0 0 303.362 0.632 50 0 DCAARN NC(=O)Cc1nc(Cc2ccsc2)n(C[C@@H]2COCCO2)n1 ZINC000584886250 396632447 /nfs/dbraw/zinc/63/24/47/396632447.db2.gz UHTAPGOTVBJKOA-LLVKDONJSA-N 0 0 322.390 0.374 50 0 DCAARN CNC(=O)c1noc(CNC(=O)COCc2ccccc2)n1 ZINC000584887344 396632533 /nfs/dbraw/zinc/63/25/33/396632533.db2.gz YQLUWBQNDCOLBC-UHFFFAOYSA-N 0 0 304.306 0.262 50 0 DCAARN CC(C)(C)N1C[C@@H](CNC(=O)CN2CCCCC2=O)CC1=O ZINC000584887795 396633341 /nfs/dbraw/zinc/63/33/41/396633341.db2.gz SCWRJLPRCPKNKY-GFCCVEGCSA-N 0 0 309.410 0.762 50 0 DCAARN Cn1cnc2cc(C(=O)N3CCN(C)[C@@H](CCO)C3)ccc21 ZINC000584890209 396633419 /nfs/dbraw/zinc/63/34/19/396633419.db2.gz SBVLQQAMBIYOAV-ZDUSSCGKSA-N 0 0 302.378 0.712 50 0 DCAARN CN1CCN(C(=O)CCC(=O)NC2CCCC2)C[C@H]1CCO ZINC000584888691 396633500 /nfs/dbraw/zinc/63/35/00/396633500.db2.gz VQBBMXPODAERSN-CQSZACIVSA-N 0 0 311.426 0.350 50 0 DCAARN O=C(N[C@H]1COC[C@@H]1O)c1cnc(Nc2ccccc2)nc1 ZINC000584898315 396635736 /nfs/dbraw/zinc/63/57/36/396635736.db2.gz VFKBCUXTYZTVOQ-STQMWFEESA-N 0 0 300.318 0.710 50 0 DCAARN O=C(Cn1ccc(=O)cc1)N1CCN(C2CCCCC2)C(=O)C1 ZINC000584902683 396636869 /nfs/dbraw/zinc/63/68/69/396636869.db2.gz XHCKIHYBDJEOOL-UHFFFAOYSA-N 0 0 317.389 0.852 50 0 DCAARN COC(=O)N1CCCC[C@H]1C(=O)NCCc1nc(C)cc(=O)[nH]1 ZINC000584902182 396637073 /nfs/dbraw/zinc/63/70/73/396637073.db2.gz UXYZINSFNSWWFB-NSHDSACASA-N 0 0 322.365 0.770 50 0 DCAARN CC[C@H](C(=O)N1CCN(Cc2nc[nH]n2)CC1)n1cccn1 ZINC000584901723 396637097 /nfs/dbraw/zinc/63/70/97/396637097.db2.gz YDRYLMOSAYTAML-GFCCVEGCSA-N 0 0 303.370 0.297 50 0 DCAARN CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)CCc1nncn1C ZINC000584901765 396637357 /nfs/dbraw/zinc/63/73/57/396637357.db2.gz VXNGYGYCAUDFSJ-LBPRGKRZSA-N 0 0 321.425 0.853 50 0 DCAARN CCN(C)S(=O)(=O)Nc1ccc(F)c(S(N)(=O)=O)c1 ZINC000585136494 396641361 /nfs/dbraw/zinc/64/13/61/396641361.db2.gz IGOLLTOVSUBHJL-UHFFFAOYSA-N 0 0 311.360 0.082 50 0 DCAARN CN1C[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)Cc2ccccc21 ZINC000585141749 396642333 /nfs/dbraw/zinc/64/23/33/396642333.db2.gz XLIBKZGPWVFLPR-QWHCGFSZSA-N 0 0 308.403 0.598 50 0 DCAARN CN(Cc1ncc[nH]1)C(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000329574818 396847163 /nfs/dbraw/zinc/84/71/63/396847163.db2.gz VLFHHFHVHMJUMU-VIFPVBQESA-N 0 0 306.288 0.631 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CCC[C@H](c3ccn(C)n3)C2)c1 ZINC000390831725 397302990 /nfs/dbraw/zinc/30/29/90/397302990.db2.gz UJRIBFCLXZIGSV-NSHDSACASA-N 0 0 309.395 0.722 50 0 DCAARN CN(C)C(=O)N1CCC(CNC(=O)c2cccn(C)c2=O)CC1 ZINC000390831922 397303519 /nfs/dbraw/zinc/30/35/19/397303519.db2.gz VZNPBXQFMUASJA-UHFFFAOYSA-N 0 0 320.393 0.509 50 0 DCAARN COCCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1 ZINC000072237981 292362797 /nfs/dbraw/zinc/36/27/97/292362797.db2.gz XESXTBDYLAMSMA-GJZGRUSLSA-N 0 0 306.362 0.738 50 0 DCAARN Cn1cc(S(=O)(=O)N2CCC[C@](C)(O)CC2)cc1C(N)=O ZINC000230370834 158624027 /nfs/dbraw/zinc/62/40/27/158624027.db2.gz YJOJCIONWBWLSF-ZDUSSCGKSA-N 0 0 315.395 0.050 50 0 DCAARN O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H](n2cncn2)C1 ZINC000072234811 286910820 /nfs/dbraw/zinc/91/08/20/286910820.db2.gz SXQMOJCTXXRBHE-DGCLKSJQSA-N 0 0 303.366 0.453 50 0 DCAARN Cc1cc(CC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)[nH]n1 ZINC000151159669 287032425 /nfs/dbraw/zinc/03/24/25/287032425.db2.gz OQOUTUDFKBUPMX-AWEZNQCLSA-N 0 0 320.393 0.501 50 0 DCAARN CNC(=O)CN(C)S(=O)(=O)CCn1cnc2ccccc21 ZINC000010512759 415151439 /nfs/dbraw/zinc/15/14/39/415151439.db2.gz UYLDIHRAGQUYKI-UHFFFAOYSA-N 0 0 310.379 0.044 50 0 DCAARN O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(=O)[nH]n1 ZINC000021066255 415152840 /nfs/dbraw/zinc/15/28/40/415152840.db2.gz QQKUBNZUTOLLGZ-UHFFFAOYSA-N 0 0 301.306 0.254 50 0 DCAARN Cc1ccc(N2C(=O)C[C@@H](N3CCC[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000025070263 415158808 /nfs/dbraw/zinc/15/88/08/415158808.db2.gz RDWXBOXVQALVDI-TZMCWYRMSA-N 0 0 315.373 0.824 50 0 DCAARN Cc1nn(C)c2ncc(C(=O)NC[C@H](C)N3CCOCC3)cc12 ZINC000025147659 415159546 /nfs/dbraw/zinc/15/95/46/415159546.db2.gz ONSIDAYVSJRAPQ-NSHDSACASA-N 0 0 317.393 0.727 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000025207406 415160716 /nfs/dbraw/zinc/16/07/16/415160716.db2.gz MFAOAWXEQCYKFF-UHFFFAOYSA-N 0 0 303.409 0.312 50 0 DCAARN O=C(Cn1ccccc1=O)N1CCN(c2nccs2)CC1 ZINC000025406193 415162225 /nfs/dbraw/zinc/16/22/25/415162225.db2.gz IGIKYSIERNXQAO-UHFFFAOYSA-N 0 0 304.375 0.654 50 0 DCAARN COC(=O)c1ccc(C(=O)OC)c(N2C(=O)CSCC2=O)c1 ZINC000000103070 415124195 /nfs/dbraw/zinc/12/41/95/415124195.db2.gz DIOSEIRVLFVRPJ-UHFFFAOYSA-N 0 0 323.326 0.866 50 0 DCAARN COc1ccccc1NC(=O)COC(=O)c1nccnc1N ZINC000003525720 415130676 /nfs/dbraw/zinc/13/06/76/415130676.db2.gz CQCMDAWWIWVJDH-UHFFFAOYSA-N 0 0 302.290 0.863 50 0 DCAARN COCCn1c(C)cc(C(=O)COC(=O)Cn2cnnn2)c1C ZINC000007036381 415137652 /nfs/dbraw/zinc/13/76/52/415137652.db2.gz UKTLSJHNEBDXOF-UHFFFAOYSA-N 0 0 321.337 0.164 50 0 DCAARN CC[C@@H](C)NC(=O)CSc1nnc(-n2nc(C)cc2C)n1N ZINC000007530480 415141297 /nfs/dbraw/zinc/14/12/97/415141297.db2.gz KFJPVNHUBBQXIY-MRVPVSSYSA-N 0 0 323.426 0.801 50 0 DCAARN NC(=O)CCS(=O)(=O)CCSC(=S)N1CCCC1 ZINC000007669331 415141518 /nfs/dbraw/zinc/14/15/18/415141518.db2.gz PCEICXITPZQUGE-UHFFFAOYSA-N 0 0 310.466 0.391 50 0 DCAARN OCCNc1nc2c(cnn2-c2ccccc2)c(NCCO)n1 ZINC000009623102 415146525 /nfs/dbraw/zinc/14/65/25/415146525.db2.gz TTZSTTLVYUVLNC-UHFFFAOYSA-N 0 0 314.349 0.624 50 0 DCAARN COC[C@H](C)NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 ZINC000026748046 415168966 /nfs/dbraw/zinc/16/89/66/415168966.db2.gz DLJUDKCKUUFEQZ-QMMMGPOBSA-N 0 0 302.352 0.107 50 0 DCAARN C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC(C(N)=O)CC1 ZINC000032652127 415184263 /nfs/dbraw/zinc/18/42/63/415184263.db2.gz XOQYSMOFFFWRRK-WCQYABFASA-N 0 0 324.425 0.588 50 0 DCAARN COc1ccc(F)cc1C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000044908029 415232412 /nfs/dbraw/zinc/23/24/12/415232412.db2.gz DTGCTBWEXAHEEN-SECBINFHSA-N 0 0 301.339 0.999 50 0 DCAARN COc1cccc(S(=O)(=O)CC(=O)N2CCO[C@H](C)C2)c1 ZINC000044947605 415233936 /nfs/dbraw/zinc/23/39/36/415233936.db2.gz QUKKSXGNGFSDCH-LLVKDONJSA-N 0 0 313.375 0.716 50 0 DCAARN COCCn1nc(C(=O)N(C[C@@H]2CCOC2)C2CC2)ccc1=O ZINC000044941234 415235039 /nfs/dbraw/zinc/23/50/39/415235039.db2.gz JVTHPABMRNQCRT-LBPRGKRZSA-N 0 0 321.377 0.531 50 0 DCAARN COC[C@H](C)NC(=O)CS(=O)(=O)c1ccc(F)cc1F ZINC000044948298 415235637 /nfs/dbraw/zinc/23/56/37/415235637.db2.gz ORDRXQSEVDERJN-QMMMGPOBSA-N 0 0 307.318 0.890 50 0 DCAARN Cc1noc(C)c1CS(=O)(=O)CC(=O)NC[C@H]1CCCO1 ZINC000044938117 415236461 /nfs/dbraw/zinc/23/64/61/415236461.db2.gz LEQUHDCAGHSJIG-LLVKDONJSA-N 0 0 316.379 0.501 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCn2cccn2)C1 ZINC000044955676 415238081 /nfs/dbraw/zinc/23/80/81/415238081.db2.gz SDACYTQSUZNBAP-LBPRGKRZSA-N 0 0 314.411 0.061 50 0 DCAARN CC(C)Cc1noc(CN2CCC(C(=O)NC[C@@H](C)O)CC2)n1 ZINC000044951023 415240156 /nfs/dbraw/zinc/24/01/56/415240156.db2.gz POXZPTPMZSZUDE-GFCCVEGCSA-N 0 0 324.425 0.977 50 0 DCAARN COCCN1C[C@@H](C(=O)NCc2ccccc2OC)CC1=O ZINC000045269074 415246780 /nfs/dbraw/zinc/24/67/80/415246780.db2.gz QJIRVJABPBRKNO-ZDUSSCGKSA-N 0 0 306.362 0.806 50 0 DCAARN NC(=O)CN1CCC(NC(=O)CCc2ccccc2F)CC1 ZINC000045891149 415255409 /nfs/dbraw/zinc/25/54/09/415255409.db2.gz VGASULFKNUDPSM-UHFFFAOYSA-N 0 0 307.369 0.824 50 0 DCAARN COc1ccccc1[C@H](O)CNC(=O)N[C@H](C)c1nncn1C ZINC000046962898 415261356 /nfs/dbraw/zinc/26/13/56/415261356.db2.gz HFBDFJDUPSIRHJ-ZYHUDNBSSA-N 0 0 319.365 0.918 50 0 DCAARN NC(=O)C1CCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CC1 ZINC000047932536 415277188 /nfs/dbraw/zinc/27/71/88/415277188.db2.gz FLONIFBBNPZVBA-CQSZACIVSA-N 0 0 301.346 0.904 50 0 DCAARN O=C(NCCNC(=O)C1CC1)c1cccc(N2CCNC2=O)c1 ZINC000044835324 415225149 /nfs/dbraw/zinc/22/51/49/415225149.db2.gz POXHEKPTKRXFSF-UHFFFAOYSA-N 0 0 316.361 0.472 50 0 DCAARN CC(=O)N1CCC(NS(=O)(=O)c2c(C)noc2C)CC1 ZINC000044869707 415228364 /nfs/dbraw/zinc/22/83/64/415228364.db2.gz NSDJCXFAWXUKLO-UHFFFAOYSA-N 0 0 301.368 0.581 50 0 DCAARN O=C(Cc1noc(C(=O)NC2CCCCC2)n1)N1CCOCC1 ZINC000044894053 415229563 /nfs/dbraw/zinc/22/95/63/415229563.db2.gz KIALNDMQRDQXOS-UHFFFAOYSA-N 0 0 322.365 0.533 50 0 DCAARN Cc1cnc(C(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cn1 ZINC000044911436 415231596 /nfs/dbraw/zinc/23/15/96/415231596.db2.gz OJHYNOCFQBHERX-DZGCQCFKSA-N 0 0 320.393 0.252 50 0 DCAARN O=C(Cc1cnn(-c2ccccc2)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000044896286 415232120 /nfs/dbraw/zinc/23/21/20/415232120.db2.gz GUNPYVQKHDITCV-ZDUSSCGKSA-N 0 0 319.386 0.718 50 0 DCAARN Cc1csc(N2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)n1 ZINC000048165831 415286525 /nfs/dbraw/zinc/28/65/25/415286525.db2.gz PJJCEFJABDHCIG-LBPRGKRZSA-N 0 0 322.434 0.969 50 0 DCAARN Cc1nccn1-c1cc(CNC(=O)[C@H]2CCC(=O)NC2)ccn1 ZINC000048238918 415288479 /nfs/dbraw/zinc/28/84/79/415288479.db2.gz LOMQXXXDFDUFQU-ZDUSSCGKSA-N 0 0 313.361 0.718 50 0 DCAARN O=C(CN1CCC[C@H](O)C1)NCCc1ccc2c(c1)OCCO2 ZINC000048301553 415289694 /nfs/dbraw/zinc/28/96/94/415289694.db2.gz YZUFPCNPGIEWLJ-AWEZNQCLSA-N 0 0 320.389 0.573 50 0 DCAARN CCc1cc(=O)n(CC(=O)NCc2ccc(OC)cc2)c(N)n1 ZINC000049411021 415308835 /nfs/dbraw/zinc/30/88/35/415308835.db2.gz MTFJHRPRCCOZBV-UHFFFAOYSA-N 0 0 316.361 0.713 50 0 DCAARN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000051055529 415315018 /nfs/dbraw/zinc/31/50/18/415315018.db2.gz JGCBMWVWAAZEQD-SDDRHHMPSA-N 0 0 312.414 0.587 50 0 DCAARN NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2Cc3ccccc3O2)o1 ZINC000056892506 415337605 /nfs/dbraw/zinc/33/76/05/415337605.db2.gz GGPIFWWWCNISPF-JTQLQIEISA-N 0 0 322.342 0.661 50 0 DCAARN C[C@@H](C(=O)N1Cc2cnc(C(C)(C)C)nc2C1)n1cnnn1 ZINC000067934637 415391496 /nfs/dbraw/zinc/39/14/96/415391496.db2.gz ZTOBTILUPBVFLH-VIFPVBQESA-N 0 0 301.354 0.864 50 0 DCAARN C[C@@H]1CCc2[nH]nc(C(=O)N3C[C@@H]4C[C@H](O)[C@@H](O)C[C@@H]4C3)c2C1 ZINC000071405804 415408941 /nfs/dbraw/zinc/40/89/41/415408941.db2.gz CKUHDYOKAKWACP-XWKQNIGYSA-N 0 0 319.405 0.738 50 0 DCAARN c1[nH]nc2ncnc(NCCNc3nnnn3-c3ccccc3)c12 ZINC000084572659 415497701 /nfs/dbraw/zinc/49/77/01/415497701.db2.gz TWINUCNDVCFPIG-UHFFFAOYSA-N 0 0 322.336 0.853 50 0 DCAARN CC[C@@H]1CN(C(=O)[C@@H](C)n2cncn2)C[C@H]1N1CCOCC1 ZINC000084735657 415501549 /nfs/dbraw/zinc/50/15/49/415501549.db2.gz AEMWPAOUFDFZQU-MGPQQGTHSA-N 0 0 307.398 0.408 50 0 DCAARN CCO[C@@H]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1(C)C ZINC000075143250 415438140 /nfs/dbraw/zinc/43/81/40/415438140.db2.gz LACPVOGDQXEZJK-VXGBXAGGSA-N 0 0 323.397 0.300 50 0 DCAARN O=C(NC[C@H]1CCCO1)c1coc(NC(=O)c2cnccn2)n1 ZINC000075157963 415439695 /nfs/dbraw/zinc/43/96/95/415439695.db2.gz FIVIDZGCPVAJSW-SECBINFHSA-N 0 0 317.305 0.626 50 0 DCAARN COc1ccccc1OCC(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000084753065 415502413 /nfs/dbraw/zinc/50/24/13/415502413.db2.gz SCYBQXUOTSNHHG-ZDUSSCGKSA-N 0 0 322.361 0.438 50 0 DCAARN COCCO[C@@H]1COCC[C@H]1NC(=O)N1CCCO[C@@H](C)C1 ZINC000332982797 415520287 /nfs/dbraw/zinc/52/02/87/415520287.db2.gz PVSGSRRWHIHZER-BFHYXJOUSA-N 0 0 316.398 0.627 50 0 DCAARN Cc1nn(C)c(C)c1CCc1nc(CN2CCN(C)CC2)no1 ZINC000095352073 415548956 /nfs/dbraw/zinc/54/89/56/415548956.db2.gz MUKFHCLZOGNMHS-UHFFFAOYSA-N 0 0 318.425 0.953 50 0 DCAARN O=C(NCCc1n[nH]c(=O)[n-]1)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095356736 415552900 /nfs/dbraw/zinc/55/29/00/415552900.db2.gz UJHNICHODAZRBG-LLVKDONJSA-N 0 0 307.398 0.411 50 0 DCAARN Cc1cc(CNC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)n(C)n1 ZINC000095374370 415558229 /nfs/dbraw/zinc/55/82/29/415558229.db2.gz YDZOAWCHXUBLKK-LBPRGKRZSA-N 0 0 307.398 0.738 50 0 DCAARN Cc1nc(C2CCN(C(=O)[C@@H]3CSCN3C)CC2)cc(=O)[nH]1 ZINC000095374617 415558746 /nfs/dbraw/zinc/55/87/46/415558746.db2.gz UTRKGOMBFFRJTB-ZDUSSCGKSA-N 0 0 322.434 0.789 50 0 DCAARN COCC(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000096005361 415566948 /nfs/dbraw/zinc/56/69/48/415566948.db2.gz ZZLIUJKYBICTMO-GFCCVEGCSA-N 0 0 304.412 0.486 50 0 DCAARN CCOc1ccc(-c2cn(C3CN(C(=O)CO)C3)nn2)cc1 ZINC000095998050 415566963 /nfs/dbraw/zinc/56/69/63/415566963.db2.gz KLODYHVRQOQIBR-UHFFFAOYSA-N 0 0 302.334 0.719 50 0 DCAARN COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N1CCC(OC)CC1 ZINC000095985771 415567889 /nfs/dbraw/zinc/56/78/89/415567889.db2.gz PMTYOEJCTWPJMY-UHFFFAOYSA-N 0 0 323.349 0.686 50 0 DCAARN CC(C)[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccccc1 ZINC000095961720 415568058 /nfs/dbraw/zinc/56/80/58/415568058.db2.gz HCSDFFJIVLQPQU-LLVKDONJSA-N 0 0 302.334 0.773 50 0 DCAARN CCOc1ccc(C(=O)N(CC)[C@@H]2CC(=O)NC2=O)cc1OC ZINC000095957878 415569986 /nfs/dbraw/zinc/56/99/86/415569986.db2.gz OZABIAWSTLIDRH-LLVKDONJSA-N 0 0 320.345 0.971 50 0 DCAARN COC(=O)c1cnc(/C=C\c2cn(C)c(=O)n(C)c2=O)s1 ZINC000096032910 415570985 /nfs/dbraw/zinc/57/09/85/415570985.db2.gz DWTKPEKKFQEGQN-PLNGDYQASA-N 0 0 307.331 0.498 50 0 DCAARN CCNC(=O)CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000096013025 415571766 /nfs/dbraw/zinc/57/17/66/415571766.db2.gz JXWSLLUEVUQOPH-UHFFFAOYSA-N 0 0 302.338 0.740 50 0 DCAARN Cn1cnc(S(=O)(=O)NCC[C@@H](O)c2cccs2)c1 ZINC000096025964 415572051 /nfs/dbraw/zinc/57/20/51/415572051.db2.gz HKENDJLYYUPDEF-SECBINFHSA-N 0 0 301.393 0.884 50 0 DCAARN O=S(=O)(Cc1cccc(Br)c1)C[C@H](O)CO ZINC000097047655 415580630 /nfs/dbraw/zinc/58/06/30/415580630.db2.gz XFNONRNJLOBVAE-SNVBAGLBSA-N 0 0 309.181 0.717 50 0 DCAARN C[C@H](O)CNC(=O)c1cccc(OCCCN2CCOCC2)c1 ZINC000097117387 415584970 /nfs/dbraw/zinc/58/49/70/415584970.db2.gz ZYABMQCCXPOPGR-AWEZNQCLSA-N 0 0 322.405 0.898 50 0 DCAARN CN(C[C@@H](O)CN1CCOCC1)C(=O)c1cc2sccc2[nH]1 ZINC000097105865 415586112 /nfs/dbraw/zinc/58/61/12/415586112.db2.gz FMOIXLVLZYXBPE-LLVKDONJSA-N 0 0 323.418 0.995 50 0 DCAARN CCc1ncc(C(=O)N2CCCN(S(C)(=O)=O)CC2)cn1 ZINC000097155935 415586717 /nfs/dbraw/zinc/58/67/17/415586717.db2.gz RMKWQAFZEKAFGP-UHFFFAOYSA-N 0 0 312.395 0.147 50 0 DCAARN CN(CC(=O)NC(C)(C)C)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000101079385 415593687 /nfs/dbraw/zinc/59/36/87/415593687.db2.gz ZSARRHHMKUVZEG-RYUDHWBXSA-N 0 0 307.394 0.742 50 0 DCAARN CCOc1cccc(N2CCN(CCS(C)(=O)=O)CC2)n1 ZINC000106873713 415650321 /nfs/dbraw/zinc/65/03/21/415650321.db2.gz SMVKDOAGRCWXOG-UHFFFAOYSA-N 0 0 313.423 0.647 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CCO2)[nH]1 ZINC000106917992 415657403 /nfs/dbraw/zinc/65/74/03/415657403.db2.gz WZZLMOHHNZHHFL-XQQFMLRXSA-N 0 0 316.365 0.550 50 0 DCAARN CNC(=O)OC[C@H]1CCCCN1C(=O)c1cccc(=O)n1C ZINC000288854680 415696788 /nfs/dbraw/zinc/69/67/88/415696788.db2.gz BKAPHRPFXUPNFI-LLVKDONJSA-N 0 0 307.350 0.736 50 0 DCAARN O=C(NC[C@@H]1CC(=O)N(C2CCCC2)C1)c1c[nH]c(=O)cn1 ZINC000299774491 416065940 /nfs/dbraw/zinc/06/59/40/416065940.db2.gz JLCLWYROZDBKPX-JTQLQIEISA-N 0 0 304.350 0.703 50 0 DCAARN O=c1cc(CN2CCNC(=O)[C@H]2CCO)[nH]c2ccc(F)cc12 ZINC000299773231 416066519 /nfs/dbraw/zinc/06/65/19/416066519.db2.gz AZXZPBOQYKDOKL-CQSZACIVSA-N 0 0 319.336 0.762 50 0 DCAARN Cc1[nH]nc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)c1Cl ZINC000299780477 416066677 /nfs/dbraw/zinc/06/66/77/416066677.db2.gz SHAVQNCZHLKRGA-ZETCQYMHSA-N 0 0 306.775 0.122 50 0 DCAARN Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC000299781252 416067342 /nfs/dbraw/zinc/06/73/42/416067342.db2.gz HQAPYAMMBUJIPU-GFCCVEGCSA-N 0 0 308.382 0.440 50 0 DCAARN CCCc1cc(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)on1 ZINC000299792203 416069818 /nfs/dbraw/zinc/06/98/18/416069818.db2.gz DGWHUWRCRYYJBG-LBPRGKRZSA-N 0 0 315.395 0.667 50 0 DCAARN O=C(CN1CC[C@H]2[C@H](C1)OCc1cnnn12)NCc1ccco1 ZINC000299798100 416070582 /nfs/dbraw/zinc/07/05/82/416070582.db2.gz PLAWWKWPSAHMTA-KBPBESRZSA-N 0 0 317.349 0.333 50 0 DCAARN Cn1ccn2ncc(C(=O)NCc3noc([C@@H]4CCCO4)n3)c12 ZINC000299800760 416070934 /nfs/dbraw/zinc/07/09/34/416070934.db2.gz VYRABJNOULYZJR-JTQLQIEISA-N 0 0 316.321 0.837 50 0 DCAARN CS(=O)(=O)CCN1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C1=O ZINC000170592485 416027879 /nfs/dbraw/zinc/02/78/79/416027879.db2.gz FSBOEHYQQQZCLZ-DCAQKATOSA-N 0 0 300.380 0.626 50 0 DCAARN COCCN1CCN([C@H](C)C(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC000247113784 416332461 /nfs/dbraw/zinc/33/24/61/416332461.db2.gz JCXSCIOWWWUCEA-RBSFLKMASA-N 0 0 313.442 0.323 50 0 DCAARN COCCN1CCN([C@H](C)C(=O)NC[C@H]2CCCO2)C[C@@H]1C ZINC000247113806 416332653 /nfs/dbraw/zinc/33/26/53/416332653.db2.gz JCXSCIOWWWUCEA-RRFJBIMHSA-N 0 0 313.442 0.323 50 0 DCAARN CN(CC(=O)[O-])c1ncc(C[N@H+](C)CCc2cnn(C)c2)cn1 ZINC000215241468 416326908 /nfs/dbraw/zinc/32/69/08/416326908.db2.gz PFUNSVSHLQDPFT-UHFFFAOYSA-N 0 0 318.381 0.405 50 0 DCAARN O=C(NC[C@H]1COCCO1)c1ccccc1N1CCOCC1 ZINC000215576310 416326991 /nfs/dbraw/zinc/32/69/91/416326991.db2.gz AKZMIYONLKNKCT-ZDUSSCGKSA-N 0 0 306.362 0.668 50 0 DCAARN CN(C[C@H]1Cc2ccccc2O1)C(=O)CN1C(=O)CNC1=O ZINC000215096649 416327184 /nfs/dbraw/zinc/32/71/84/416327184.db2.gz NBTNPNZLBIVPKC-LLVKDONJSA-N 0 0 303.318 0.000 50 0 DCAARN COCc1ncc(CN2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000215611568 416327185 /nfs/dbraw/zinc/32/71/85/416327185.db2.gz LVFPFBMEWNOQCT-UHFFFAOYSA-N 0 0 306.410 0.920 50 0 DCAARN CN1C[C@@]2(CCN(C(=O)c3ccc4n[nH]nc4c3)C2)OC1=O ZINC000215690511 416327296 /nfs/dbraw/zinc/32/72/96/416327296.db2.gz GHBPKUNAVUTJOK-CQSZACIVSA-N 0 0 301.306 0.625 50 0 DCAARN CCCN1C(=O)N[C@H](CC(=O)NCCn2cnc(C)c2C)C1=O ZINC000215654551 416327310 /nfs/dbraw/zinc/32/73/10/416327310.db2.gz RFDYNKJPLGLPSQ-GFCCVEGCSA-N 0 0 321.381 0.337 50 0 DCAARN O=C([O-])c1ccccc1C[NH+]1CCN(c2ncc[nH]c2=O)CC1 ZINC000216223866 416327556 /nfs/dbraw/zinc/32/75/56/416327556.db2.gz IPSBOGBMEGMVMZ-UHFFFAOYSA-N 0 0 314.345 0.790 50 0 DCAARN CC(C)CN(CC(N)=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000230168581 416328102 /nfs/dbraw/zinc/32/81/02/416328102.db2.gz HDKRPAJVMVINFZ-ZIAGYGMSSA-N 0 0 311.426 0.600 50 0 DCAARN O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000238073577 416329812 /nfs/dbraw/zinc/32/98/12/416329812.db2.gz QXPMJPPLAQZIFC-CABCVRRESA-N 0 0 318.373 0.963 50 0 DCAARN [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000238075266 416329894 /nfs/dbraw/zinc/32/98/94/416329894.db2.gz MRTDGBDRDRTVMV-HRCADAONSA-N 0 0 304.390 0.963 50 0 DCAARN CC(=O)N1CC[C@@H](NC(=O)CCOc2ccccc2)[C@H](O)C1 ZINC000240228096 416330093 /nfs/dbraw/zinc/33/00/93/416330093.db2.gz KFYSMTBQURLGAQ-HUUCEWRRSA-N 0 0 306.362 0.553 50 0 DCAARN Cn1ncnc1CCNC(=O)[C@@H]1CCCCN1C(=O)C1CC1 ZINC000243914974 416330251 /nfs/dbraw/zinc/33/02/51/416330251.db2.gz BLECKSYDGPOWAD-LBPRGKRZSA-N 0 0 305.382 0.265 50 0 DCAARN COc1ccccc1CC(=O)N1C[C@H]([NH+](C)C)C[C@H]1C(=O)[O-] ZINC000244673812 416330646 /nfs/dbraw/zinc/33/06/46/416330646.db2.gz HWAOTGHMSCRWJF-OLZOCXBDSA-N 0 0 306.362 0.853 50 0 DCAARN CC(=O)N[C@H]1C[C@H](c2nnc(CN3C[C@@H](C)O[C@@H](C)C3)n2C)C1 ZINC000244708111 416330711 /nfs/dbraw/zinc/33/07/11/416330711.db2.gz KNPGGOZQZHLQMB-GBVPACDZSA-N 0 0 321.425 0.806 50 0 DCAARN Nc1ncc(CN2CCC([N@@H+]3CCC[C@H](C(=O)[O-])C3)CC2)cn1 ZINC000534643604 416506761 /nfs/dbraw/zinc/50/67/61/416506761.db2.gz PFGYEBCLYYJWNU-ZDUSSCGKSA-N 0 0 319.409 0.820 50 0 DCAARN COCCc1nc(CNc2cc([C@H]3CCOC3)nc(C)n2)no1 ZINC000426386992 416762828 /nfs/dbraw/zinc/76/28/28/416762828.db2.gz XPIPXNAOBYFZRL-NSHDSACASA-N 0 0 319.365 1.473 50 0 DCAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000523759149 417092964 /nfs/dbraw/zinc/09/29/64/417092964.db2.gz FUHRSMAFKABWEA-LLVKDONJSA-N 0 0 314.411 0.590 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N(CC(C)=O)C(C)C)cn1 ZINC000643611006 417257511 /nfs/dbraw/zinc/25/75/11/417257511.db2.gz NKTKPVKGVLGWJD-UHFFFAOYSA-N 0 0 313.379 0.429 50 0 DCAARN CCn1cc(S(=O)(=O)N[C@@H]2Cc3ccccc3NC2=O)cn1 ZINC000528542781 417360001 /nfs/dbraw/zinc/36/00/01/417360001.db2.gz QZQABVROBXMBIV-CYBMUJFWSA-N 0 0 320.374 0.745 50 0 DCAARN COc1ccccc1C(=O)NCc1nc(OC)nc(N(C)C)n1 ZINC000575603974 417538697 /nfs/dbraw/zinc/53/86/97/417538697.db2.gz NFNAHNCYMFOAFP-UHFFFAOYSA-N 0 0 317.349 0.885 50 0 DCAARN Cc1cnc(C(=O)NCc2nc(N(C)C)nc(N(C)C)n2)cn1 ZINC000575607362 417538995 /nfs/dbraw/zinc/53/89/95/417538995.db2.gz STDYJSOETHXPMH-UHFFFAOYSA-N 0 0 316.369 0.032 50 0 DCAARN CS(=O)(=O)N1CCC(F)(C(=O)NCc2ccncc2)CC1 ZINC000575555482 417540338 /nfs/dbraw/zinc/54/03/38/417540338.db2.gz FPYQPVVRAHCDAU-UHFFFAOYSA-N 0 0 315.370 0.462 50 0 DCAARN O=C(Cn1nc(C2CC2)ccc1=O)Nc1ncnc2[nH]cnc21 ZINC000575620747 417541005 /nfs/dbraw/zinc/54/10/05/417541005.db2.gz SUOUTPTXPMSGAK-UHFFFAOYSA-N 0 0 311.305 0.426 50 0 DCAARN O=C(NCCOCCN1C(=O)CCC1=O)OCc1ccccn1 ZINC000575620110 417541270 /nfs/dbraw/zinc/54/12/70/417541270.db2.gz PNWGQPFHEZHHHW-UHFFFAOYSA-N 0 0 321.333 0.473 50 0 DCAARN c1nnn2c1CO[C@H]1CCN(c3nnnn3-c3ccccc3)C[C@@H]12 ZINC000299784136 229437646 /nfs/dbraw/zinc/43/76/46/229437646.db2.gz OICXLAPODAZDGG-KBPBESRZSA-N 0 0 324.348 0.604 50 0 DCAARN O=C(Cn1nccn1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000299786895 229442868 /nfs/dbraw/zinc/44/28/68/229442868.db2.gz OECQCBOGCQGAII-UHFFFAOYSA-N 0 0 313.361 0.831 50 0 DCAARN O=C(Cn1cnc2ccccc2c1=O)NCCc1cnccn1 ZINC000299791056 229447983 /nfs/dbraw/zinc/44/79/83/229447983.db2.gz CJYMCEUPJXFJKC-UHFFFAOYSA-N 0 0 309.329 0.545 50 0 DCAARN CO[C@H]1CN(C(=O)[C@H]2CCN2C(=O)OC(C)(C)C)CCO1 ZINC000496214656 272299915 /nfs/dbraw/zinc/29/99/15/272299915.db2.gz BIXRVMWBKHGHKU-GHMZBOCLSA-N 0 0 300.355 0.827 50 0 DCAARN CC(=O)[C@H](C)n1c(C)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000004940928 275499905 /nfs/dbraw/zinc/49/99/05/275499905.db2.gz UEULWEPWAOLFAY-QMMMGPOBSA-N 0 0 303.322 0.145 50 0 DCAARN CCC(CC)[C@H](CNC(=O)C1=NNC(=O)CC1)N1CCOCC1 ZINC000065609415 276212942 /nfs/dbraw/zinc/21/29/42/276212942.db2.gz ZWZNSTXWSGBTGL-AWEZNQCLSA-N 0 0 324.425 0.506 50 0 DCAARN CCCN1C(=O)CC[C@H]2CN(c3cncc(C(N)=O)n3)CC[C@H]21 ZINC000072434591 276256903 /nfs/dbraw/zinc/25/69/03/276256903.db2.gz STNXXAUXYJDULQ-WCQYABFASA-N 0 0 317.393 0.803 50 0 DCAARN CN(C(=O)[C@H]1COc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000040473652 276744806 /nfs/dbraw/zinc/74/48/06/276744806.db2.gz DQTHIPGNIRBIMU-CHWSQXEVSA-N 0 0 309.387 0.883 50 0 DCAARN COC(=O)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 ZINC000014741302 277073478 /nfs/dbraw/zinc/07/34/78/277073478.db2.gz BXUQTAQKQYSAGW-XQQFMLRXSA-N 0 0 317.345 0.053 50 0 DCAARN CC1(C)C(=O)NCCN1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000021009658 278178671 /nfs/dbraw/zinc/17/86/71/278178671.db2.gz XGDYSVROPFDOAG-UHFFFAOYSA-N 0 0 310.375 0.441 50 0 DCAARN CC1(C)CN(C(=O)CC2CCS(=O)(=O)CC2)C[C@]1(C)O ZINC000091931236 278297349 /nfs/dbraw/zinc/29/73/49/278297349.db2.gz SJFQANFMHNXEFJ-AWEZNQCLSA-N 0 0 303.424 0.821 50 0 DCAARN Cn1c(=O)n(C)c(=O)n(Cc2cc(F)c(F)cc2Cl)c1=O ZINC000012427764 279304151 /nfs/dbraw/zinc/30/41/51/279304151.db2.gz GPTOQAXDHZJFLC-UHFFFAOYSA-N 0 0 317.679 0.226 50 0 DCAARN O=C(c1ccc(-n2cnnn2)cc1)N1CCC2(CC1)OCCO2 ZINC000012321462 280179506 /nfs/dbraw/zinc/17/95/06/280179506.db2.gz ITMODRMFHJQRNJ-UHFFFAOYSA-N 0 0 315.333 0.641 50 0 DCAARN CC[C@H](C)OC(=O)C1=C(C)N[C@@]2(O)c3ccccc3C(=O)[C@@]12O ZINC000019799471 280751652 /nfs/dbraw/zinc/75/16/52/280751652.db2.gz PVEWOSJNEVBRKX-YMUUXVPOSA-N 0 0 317.341 0.978 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 ZINC000248159624 280996117 /nfs/dbraw/zinc/99/61/17/280996117.db2.gz WXYOXQLAKIVAIE-SOUVJXGZSA-N 0 0 306.410 0.439 50 0 DCAARN CC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1[nH]nc2c1CN(C)CC2 ZINC000223909905 281276436 /nfs/dbraw/zinc/27/64/36/281276436.db2.gz KOXCQEFNMGPPJG-MHOHDPQLSA-N 0 0 304.394 0.941 50 0 DCAARN CN(Cc1cccnc1)C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000044916009 289765826 /nfs/dbraw/zinc/76/58/26/289765826.db2.gz WATZNSMHGNLCHZ-CYBMUJFWSA-N 0 0 311.407 0.854 50 0 DCAARN CNC(=O)CCNC(=O)C[C@@H]1c2ccccc2CCN1C(C)=O ZINC000069490330 290402998 /nfs/dbraw/zinc/40/29/98/290402998.db2.gz VJOZGJDRNSNTCF-OAHLLOKOSA-N 0 0 317.389 0.775 50 0 DCAARN Cc1cnc(C)c(N2CCN(C(=O)Nc3cn(C)nn3)CC2)n1 ZINC000299768701 292887380 /nfs/dbraw/zinc/88/73/80/292887380.db2.gz OTPXQONMLMKYNA-UHFFFAOYSA-N 0 0 316.369 0.576 50 0 DCAARN COCc1ncc(CN2CC[C@H]3[NH2+]CCC[C@]3(C(=O)[O-])C2)cn1 ZINC000072421752 293340488 /nfs/dbraw/zinc/34/04/88/293340488.db2.gz DGSSNMUIOVBYJZ-CJNGLKHVSA-N 0 0 320.393 0.652 50 0 DCAARN CO[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000004721272 293981430 /nfs/dbraw/zinc/98/14/30/293981430.db2.gz RTVWBDNQHISFHI-AMIZFAKSSA-N 0 0 304.295 0.173 50 0 DCAARN Cn1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)cn1 ZINC000072237884 294265292 /nfs/dbraw/zinc/26/52/92/294265292.db2.gz DGEOBBAPAIIMBR-LSDHHAIUSA-N 0 0 314.345 0.957 50 0 DCAARN O=C1CCC(=O)N1CN(CN1C(=O)CCC1=O)C1CCCCC1 ZINC000019335829 304622498 /nfs/dbraw/zinc/62/24/98/304622498.db2.gz DXXPAOZBVDFJDL-UHFFFAOYSA-N 0 0 321.377 0.834 50 0 DCAARN C[C@H]1CN(S(=O)(=O)c2cnnn2C)[C@@H](c2ccccc2)CO1 ZINC000330159122 300290648 /nfs/dbraw/zinc/29/06/48/300290648.db2.gz QJNYJASQIZXVLI-WCQYABFASA-N 0 0 322.390 0.966 50 0 DCAARN Cc1cc(C(=O)N2CC[NH2+][C@H](C)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000262597613 301101540 /nfs/dbraw/zinc/10/15/40/301101540.db2.gz LRJGMZIXHKICGJ-MRVPVSSYSA-N 0 0 303.322 0.178 50 0 DCAARN O=C(CCCCC(=O)NC1=NCCS1)NC1=NCCS1 ZINC000002750130 303578532 /nfs/dbraw/zinc/57/85/32/303578532.db2.gz PHTACHHNXZIVJQ-UHFFFAOYSA-N 0 0 314.436 0.985 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)OC12CCCCC2 ZINC000057355712 303886143 /nfs/dbraw/zinc/88/61/43/303886143.db2.gz LFPIVNOBQOCCDV-MNOVXSKESA-N 0 0 315.391 0.556 50 0 DCAARN CCCn1c(=O)[nH]nc1S[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000008183940 331505803 /nfs/dbraw/zinc/50/58/03/331505803.db2.gz GXJGTEFDXOKHPV-VHSXEESVSA-N 0 0 314.411 0.757 50 0 DCAARN CN(C)C(=O)c1cncc(NC2CCN(C(=O)C3CC3)CC2)n1 ZINC000534586792 334292340 /nfs/dbraw/zinc/29/23/40/334292340.db2.gz XSCYVKDEWMNKJW-UHFFFAOYSA-N 0 0 317.393 0.991 50 0 DCAARN O=C(CCn1cnnn1)NC1(c2ccccc2)CCOCC1 ZINC000534648289 334316374 /nfs/dbraw/zinc/31/63/74/334316374.db2.gz XNGHHEZIRUYMPM-UHFFFAOYSA-N 0 0 301.350 0.885 50 0 DCAARN C[NH2+]Cc1nnc(SCc2cc(=O)n3[n-]c(C)cc3n2)n1C ZINC000534648561 334316751 /nfs/dbraw/zinc/31/67/51/334316751.db2.gz JVULVSIHAUIJKW-UHFFFAOYSA-N 0 0 319.394 0.471 50 0 DCAARN CCO[C@H]1COC[C@@H]1NC(=O)CCn1nnc2ccccc21 ZINC000534666954 334319034 /nfs/dbraw/zinc/31/90/34/334319034.db2.gz KOTBVDRJAPSRQE-JSGCOSHPSA-N 0 0 304.350 0.742 50 0 DCAARN CCCc1ncncc1C(=O)NCc1nc(CCOC)no1 ZINC000534661745 334321932 /nfs/dbraw/zinc/32/19/32/334321932.db2.gz SMIAIVULXBSBML-UHFFFAOYSA-N 0 0 305.338 0.931 50 0 DCAARN COCC1(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)CC1 ZINC000575988907 341818778 /nfs/dbraw/zinc/81/87/78/341818778.db2.gz ROECEMKAXUOFHI-GARJFASQSA-N 0 0 302.396 0.081 50 0 DCAARN CN1CCO[C@H](C(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)C1 ZINC000245408305 523947968 /nfs/dbraw/zinc/94/79/68/523947968.db2.gz GOTSNOMZBXSYGM-DGCWBMGLSA-N 0 0 310.419 0.553 50 0 DCAARN NC(=O)c1cccnc1N1CCN(Cc2cncs2)CC1 ZINC000133134730 527094014 /nfs/dbraw/zinc/09/40/14/527094014.db2.gz HSUPVGLAMSWIOT-UHFFFAOYSA-N 0 0 303.391 0.959 50 0 DCAARN NC(=O)c1cccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000084364139 545700439 /nfs/dbraw/zinc/70/04/39/545700439.db2.gz AWSMWFULVFWJMK-CABCVRRESA-N 0 0 317.389 0.457 50 0 DCAARN O=C1NCC[C@H]1N1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000084614896 545702763 /nfs/dbraw/zinc/70/27/63/545702763.db2.gz HZJPSPGDYMXDNH-SECBINFHSA-N 0 0 315.299 0.506 50 0 DCAARN CCCc1nn(Cc2ccc(S(=O)(=O)N(C)C)o2)c(=O)o1 ZINC000084759078 545703891 /nfs/dbraw/zinc/70/38/91/545703891.db2.gz WAPLKROUDPBSBV-UHFFFAOYSA-N 0 0 315.351 0.680 50 0 DCAARN CC[C@H]1CN(C(=O)COc2cc(C)on2)C[C@H]1N1CCOCC1 ZINC000084735870 545704732 /nfs/dbraw/zinc/70/47/32/545704732.db2.gz KBBMECRWZCALCI-UONOGXRCSA-N 0 0 323.393 0.931 50 0 DCAARN CC(=O)NCCc1ccc(C(=O)N2CCN(CCO)CC2)cc1 ZINC000084753116 545705194 /nfs/dbraw/zinc/70/51/94/545705194.db2.gz XXDYHQPLXPIZMU-UHFFFAOYSA-N 0 0 319.405 0.115 50 0 DCAARN NC(=O)[C@H]1COCCN1Cc1nnc(-c2ccc(F)cc2)o1 ZINC000092230170 545722359 /nfs/dbraw/zinc/72/23/59/545722359.db2.gz HAARWUAEEKCRGW-LLVKDONJSA-N 0 0 306.297 0.562 50 0 DCAARN CN1C[C@]2(CCN(C(=O)Cn3nc4ccccc4n3)C2)OC1=O ZINC000215987654 545939020 /nfs/dbraw/zinc/93/90/20/545939020.db2.gz YCZHBBCNOGCHSN-HNNXBMFYSA-N 0 0 315.333 0.484 50 0 DCAARN Cn1nc2n(c1=O)C[C@H](C(=O)N1CCOC3(CCCC3)C1)CC2 ZINC000222357611 545941754 /nfs/dbraw/zinc/94/17/54/545941754.db2.gz YJELBDPJSJYSSO-GFCCVEGCSA-N 0 0 320.393 0.316 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)[C@H](C)CCO)C1 ZINC000585090533 546303541 /nfs/dbraw/zinc/30/35/41/546303541.db2.gz GQKSILKKSFQXGR-VXGBXAGGSA-N 0 0 306.428 0.277 50 0 DCAARN Cn1nc(C(=O)NCCc2noc(CO)n2)c2c1CCCC2 ZINC000670437104 547090324 /nfs/dbraw/zinc/09/03/24/547090324.db2.gz MHGCGWWTZRUTRV-UHFFFAOYSA-N 0 0 305.338 0.147 50 0 DCAARN Cc1c(C(=O)NCCSc2nncn2C)cnc2ccnn21 ZINC000670439156 547091457 /nfs/dbraw/zinc/09/14/57/547091457.db2.gz WJGXAKYISIKTRV-UHFFFAOYSA-N 0 0 317.378 0.688 50 0 DCAARN Cc1cc(C)n(CC(=O)N[C@H](C)c2nnc(N)s2)c(=O)n1 ZINC000670439389 547091600 /nfs/dbraw/zinc/09/16/00/547091600.db2.gz BLHLUUJNOPOBFE-MRVPVSSYSA-N 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NKIPVQDALYCXMF-NSHDSACASA-N 0 0 316.361 0.748 50 0 DCAARN COc1nc(C)cc(N2CCN(c3cnn(C)c3)C(=O)C2)n1 ZINC000679633730 548076395 /nfs/dbraw/zinc/07/63/95/548076395.db2.gz HWXRQHVHDHVJJG-UHFFFAOYSA-N 0 0 302.338 0.380 50 0 DCAARN O=C(COc1ccccc1F)N[C@H]1COC[C@H]1Oc1cn[nH]c1 ZINC000685942824 548748065 /nfs/dbraw/zinc/74/80/65/548748065.db2.gz WPBWTEVIHMPTOG-GXTWGEPZSA-N 0 0 321.308 0.890 50 0 DCAARN CCOC(=O)[C@H]1CCCN1Cc1cn(CC(=O)N(C)CC)nn1 ZINC000685943715 548748109 /nfs/dbraw/zinc/74/81/09/548748109.db2.gz MRZPAYVHVDBBRD-CYBMUJFWSA-N 0 0 323.397 0.284 50 0 DCAARN Cc1nc(N)nc(C)c1C(=O)O[C@@H](C)C(=O)NCC(F)(F)F ZINC000888093351 661156975 /nfs/dbraw/zinc/15/69/75/661156975.db2.gz MPWNQZGSOCJZLH-ZETCQYMHSA-N 0 0 320.271 0.899 50 0 DCAARN COC[C@@H]1CN(C(=O)NCCN=S(C)(C)=O)C[C@H](C)O1 ZINC000888097047 661175914 /nfs/dbraw/zinc/17/59/14/661175914.db2.gz ZLLQEKDOMMUROM-QWRGUYRKSA-N 0 0 307.416 0.159 50 0 DCAARN Cc1ccccc1[C@H]1NC(=O)N(C[C@H](O)Cn2cccn2)C1=O ZINC000888097568 661176719 /nfs/dbraw/zinc/17/67/19/661176719.db2.gz RUAFAPFDWUSZBT-TZMCWYRMSA-N 0 0 314.345 0.846 50 0 DCAARN COc1ccc(CNC(=O)C2=CN(C)S(=O)(=O)N=C2C)cc1 ZINC000888104649 661219382 /nfs/dbraw/zinc/21/93/82/661219382.db2.gz JATMOBVATHCEOX-UHFFFAOYSA-N 0 0 323.374 0.846 50 0 DCAARN NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CN1CCCCC1 ZINC000022203682 657891199 /nfs/dbraw/zinc/89/11/99/657891199.db2.gz XCCKAPBNBZPYBW-UHFFFAOYSA-N 0 0 311.363 0.685 50 0 DCAARN COCCc1noc(-c2ccc(N3CC(=O)NC3=O)cc2)n1 ZINC000095374612 657972363 /nfs/dbraw/zinc/97/23/63/657972363.db2.gz PFJMCSXYOXNEGL-UHFFFAOYSA-N 0 0 302.290 0.982 50 0 DCAARN CN(C[C@H]1CCOC1)C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000177330018 658741903 /nfs/dbraw/zinc/74/19/03/658741903.db2.gz QGTLZNVIJKWWMJ-GFCCVEGCSA-N 0 0 301.350 0.835 50 0 DCAARN COC(=O)C1(CNC(=O)C2(n3cnnn3)CCCCC2)CC1 ZINC000585090100 661465307 /nfs/dbraw/zinc/46/53/07/661465307.db2.gz CPBXODAYLNAWQG-UHFFFAOYSA-N 0 0 307.354 0.402 50 0 DCAARN CC(C)c1nnc([C@@H](C)NC(=O)CCNS(C)(=O)=O)o1 ZINC000426613044 661661998 /nfs/dbraw/zinc/66/19/98/661661998.db2.gz ZRMRXKCDPLBTIU-MRVPVSSYSA-N 0 0 304.372 0.310 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1-c1cccc(CN2CCOCC2)c1 ZINC000032580964 664690239 /nfs/dbraw/zinc/69/02/39/664690239.db2.gz PIJGZGDOETUVJT-UHFFFAOYSA-N 0 0 301.346 0.871 50 0 DCAARN COCCCNc1nc2nonc2nc1N1CC[C@@H](COC)C1 ZINC000011754160 666191144 /nfs/dbraw/zinc/19/11/44/666191144.db2.gz VFBZAZMKJKFTCA-SNVBAGLBSA-N 0 0 322.369 0.934 50 0 DCAARN CCOC(=O)C1(CC2CC2)CCN(C(=O)Cn2cnnn2)CC1 ZINC000012373497 666563346 /nfs/dbraw/zinc/56/33/46/666563346.db2.gz IOPJRGTUSZLQAA-UHFFFAOYSA-N 0 0 321.381 0.645 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](CNC(=O)c2cnccn2)C1 ZINC000952974801 685600251 /nfs/dbraw/zinc/60/02/51/685600251.db2.gz NJKNRQMGNMRWAP-NSHDSACASA-N 0 0 312.395 0.268 50 0 DCAARN O=C(CCN1CCCCCC1=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000952974682 685600287 /nfs/dbraw/zinc/60/02/87/685600287.db2.gz MVWLTWRORPRETF-GFCCVEGCSA-N 0 0 309.366 0.442 50 0 DCAARN COC[C@@H](c1ccccn1)N(C)C(=O)CCNS(C)(=O)=O ZINC000952979490 685600773 /nfs/dbraw/zinc/60/07/73/685600773.db2.gz YNUFFCSSRJUOLU-LBPRGKRZSA-N 0 0 315.395 0.167 50 0 DCAARN C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(F)cc3)CN2C1=O ZINC000014531296 685047847 /nfs/dbraw/zinc/04/78/47/685047847.db2.gz WKWFDKMWUQTUAY-UWJYBYFXSA-N 0 0 305.309 0.043 50 0 DCAARN Cn1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000020455504 685051858 /nfs/dbraw/zinc/05/18/58/685051858.db2.gz QPWDCQKODOUATF-UHFFFAOYSA-N 0 0 307.375 0.531 50 0 DCAARN CCc1nc(NC(=O)N2CCN(C)C(=O)[C@@H]2C(C)C)nn1C ZINC000063884983 685063177 /nfs/dbraw/zinc/06/31/77/685063177.db2.gz WRKWQKJNMAZVRP-NSHDSACASA-N 0 0 308.386 0.708 50 0 DCAARN CN1CCN2CCN(C(=O)c3nnc4n3CCCCC4)C[C@@H]2C1 ZINC000065388174 685063335 /nfs/dbraw/zinc/06/33/35/685063335.db2.gz HZVVERKMFLWTQU-ZDUSSCGKSA-N 0 0 318.425 0.076 50 0 DCAARN NC(=O)[C@@H]1COCCN1C(=O)COc1ccc2c(c1)CCC2 ZINC000091779311 685106654 /nfs/dbraw/zinc/10/66/54/685106654.db2.gz HMHHBQWQPCZXDT-AWEZNQCLSA-N 0 0 304.346 0.267 50 0 DCAARN COc1cccc(OC)c1C(=O)N1C[C@@H]2[C@H](C1)C2(CO)CO ZINC001772703165 1157841894 /nfs/dbraw/zinc/84/18/94/1157841894.db2.gz ZMDGATYNTPIGHQ-PHIMTYICSA-N 0 0 307.346 0.377 50 0 DCAARN O=C(Cc1ccc2c(c1)OCO2)N1CCC([C@H](O)CO)CC1 ZINC001772711233 1157847231 /nfs/dbraw/zinc/84/72/31/1157847231.db2.gz RTYQMQLGOHJCSQ-CYBMUJFWSA-N 0 0 307.346 0.550 50 0 DCAARN COc1nc2c(cc1C(=O)N1CCC([C@H](O)CO)CC1)CCC2 ZINC001772711970 1157847900 /nfs/dbraw/zinc/84/79/00/1157847900.db2.gz ZCBMMJARWWGVNT-OAHLLOKOSA-N 0 0 320.389 0.784 50 0 DCAARN O=C(c1cnnn1-c1ccccc1)N1CCC([C@@H](O)CO)CC1 ZINC001772710021 1157848362 /nfs/dbraw/zinc/84/83/62/1157848362.db2.gz NOZGBYVYEPHULU-HNNXBMFYSA-N 0 0 316.361 0.473 50 0 DCAARN O=C(CCO)N1C[C@@H](Cc2ccc3ccccc3n2)[C@H](O)C1 ZINC001704297904 1179964907 /nfs/dbraw/zinc/96/49/07/1179964907.db2.gz AQHNJFPYHUMLDL-CZUORRHYSA-N 0 0 300.358 0.979 50 0 DCAARN O=C(c1cncc(N2CCN3C(=O)OC[C@H]3C2)n1)N1CCCC1 ZINC001704314182 1179971359 /nfs/dbraw/zinc/97/13/59/1179971359.db2.gz 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/nfs/dbraw/zinc/77/79/50/758777950.db2.gz OCTXYKGSTJGJGZ-STQMWFEESA-N 0 0 305.444 0.416 50 0 DCAARN COC[C@H]1CCCN1S(=O)(=O)NCCC1(O)CCCC1 ZINC000824370908 758770135 /nfs/dbraw/zinc/77/01/35/758770135.db2.gz BATJKBQSDOFWFI-GFCCVEGCSA-N 0 0 306.428 0.627 50 0 DCAARN COC[C@H]1CCCN1S(=O)(=O)NC1(C(N)=O)CCCCC1 ZINC000824370946 758770361 /nfs/dbraw/zinc/77/03/61/758770361.db2.gz FBXXTKLZUYEBFF-LLVKDONJSA-N 0 0 319.427 0.120 50 0 DCAARN COC[C@@H]1CCCN1S(=O)(=O)NCCn1cnc(C)c1C ZINC000824370959 758771072 /nfs/dbraw/zinc/77/10/72/758771072.db2.gz GEODVAHXTPWIPD-ZDUSSCGKSA-N 0 0 316.427 0.445 50 0 DCAARN COCCN(C)CC(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000824405759 758773410 /nfs/dbraw/zinc/77/34/10/758773410.db2.gz ZIDKPTRLRMODNQ-ZDUSSCGKSA-N 0 0 311.426 0.472 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)NCCCn1ccnn1 ZINC000182899247 758854907 /nfs/dbraw/zinc/85/49/07/758854907.db2.gz USNSWXQFWPDXJR-UHFFFAOYSA-N 0 0 301.306 0.393 50 0 DCAARN Cc1ccnc(NC(=O)CCC(=O)NCCS(C)(=O)=O)c1 ZINC000827814653 758886614 /nfs/dbraw/zinc/88/66/14/758886614.db2.gz RYZGNAJOIDFWQN-UHFFFAOYSA-N 0 0 313.379 0.270 50 0 DCAARN Cn1ncnc1CCNC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000827927119 758901206 /nfs/dbraw/zinc/90/12/06/758901206.db2.gz YJXOFQFWLQOZOJ-NSHDSACASA-N 0 0 303.370 0.670 50 0 DCAARN CCCS(=O)(=O)N1CCC2(CC[C@H]2NC(=O)COC)CC1 ZINC000581803335 760253532 /nfs/dbraw/zinc/25/35/32/760253532.db2.gz JUEAYFMFPQRRHZ-GFCCVEGCSA-N 0 0 318.439 0.733 50 0 DCAARN Cc1ncoc1C(=O)N1CCC(n2c(C)nn(C)c2=O)CC1 ZINC000581814081 760257099 /nfs/dbraw/zinc/25/70/99/760257099.db2.gz UHGVWCCUFASZHI-UHFFFAOYSA-N 0 0 305.338 0.664 50 0 DCAARN NC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)cc1 ZINC000585087578 766274122 /nfs/dbraw/zinc/27/41/22/766274122.db2.gz NQFNFBRGCBTRKN-JHJVBQTASA-N 0 0 300.318 0.086 50 0 DCAARN O=C(N[C@@H](CO)C(=O)NCCc1ccco1)c1cccc(F)n1 ZINC000585090304 766278981 /nfs/dbraw/zinc/27/89/81/766278981.db2.gz VNLNMVKDIIVETK-LBPRGKRZSA-N 0 0 321.308 0.263 50 0 DCAARN CC(C)(C)OC(=O)[C@H]1CC(=O)N(OCC2(CO)COC2)C1 ZINC000585123120 766287437 /nfs/dbraw/zinc/28/74/37/766287437.db2.gz WIQGKMMAEWAMDE-JTQLQIEISA-N 0 0 301.339 0.117 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccns2)C1 ZINC000585124023 766288378 /nfs/dbraw/zinc/28/83/78/766288378.db2.gz GIOZOYNHXXBNKE-SNVBAGLBSA-N 0 0 317.436 0.821 50 0 DCAARN Cn1ccc(C(=O)N[C@H](CO)[C@@H](O)c2ccc(Cl)cc2)n1 ZINC000585128327 766290217 /nfs/dbraw/zinc/29/02/17/766290217.db2.gz YOYGXKVAVIRZDV-OLZOCXBDSA-N 0 0 309.753 0.898 50 0 DCAARN Cn1ccc(C(=O)N[C@@H](CO)[C@H](O)c2ccc(Cl)cc2)n1 ZINC000585128328 766290452 /nfs/dbraw/zinc/29/04/52/766290452.db2.gz YOYGXKVAVIRZDV-QWHCGFSZSA-N 0 0 309.753 0.898 50 0 DCAARN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cc(=O)n(C)cn3)ccc2O1 ZINC000585129241 766291193 /nfs/dbraw/zinc/29/11/93/766291193.db2.gz CKYYHMKAQQBEOS-SECBINFHSA-N 0 0 321.358 0.905 50 0 DCAARN NS(=O)(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccco1 ZINC000585135165 766292013 /nfs/dbraw/zinc/29/20/13/766292013.db2.gz CMJFUTUFTWJPLL-SECBINFHSA-N 0 0 308.381 0.111 50 0 DCAARN O=C(NC[C@@H](O)CN1CCOCC1)c1coc2cccc(O)c21 ZINC000585131865 766292900 /nfs/dbraw/zinc/29/29/00/766292900.db2.gz INIRFRRIRGEUAN-LLVKDONJSA-N 0 0 320.345 0.561 50 0 DCAARN CCCCn1nnnc1N1CCN(C(=O)c2cccn2C)CC1 ZINC000952849326 768911562 /nfs/dbraw/zinc/91/15/62/768911562.db2.gz OAJXVGMLXKPRML-UHFFFAOYSA-N 0 0 317.397 0.774 50 0 DCAARN COC(=O)C1(CS(=O)(=O)N2CC[C@H](N3CCC3)C2)CCC1 ZINC000952850554 768912586 /nfs/dbraw/zinc/91/25/86/768912586.db2.gz YMIJIZHSQRAJKT-LBPRGKRZSA-N 0 0 316.423 0.440 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@H](CNC(=O)C2(C)CC2)C1 ZINC000952860146 768921307 /nfs/dbraw/zinc/92/13/07/768921307.db2.gz GJHRWQRFGFSMOB-LLVKDONJSA-N 0 0 303.428 0.421 50 0 DCAARN Cc1cc(=O)c(C(=O)N(C)C[C@@H](C)N2CCOCC2)cn1C ZINC000952868367 768923948 /nfs/dbraw/zinc/92/39/48/768923948.db2.gz MBUMUNCMRCSLQY-CYBMUJFWSA-N 0 0 307.394 0.486 50 0 DCAARN Cc1ccoc1C(=O)NC[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000952867523 768957118 /nfs/dbraw/zinc/95/71/18/768957118.db2.gz NXPBETAUJYJHTI-SNVBAGLBSA-N 0 0 301.368 0.233 50 0 DCAARN COC[C@@H]1CCCN(S(=O)(=O)NCC2CCOCC2)C1 ZINC001506423884 941815712 /nfs/dbraw/zinc/81/57/12/941815712.db2.gz AAFGSADUQPSRIS-CYBMUJFWSA-N 0 0 306.428 0.606 50 0 DCAARN Cc1ccn2c(nnc2NC(=O)c2cccc(-n3cnnc3)n2)n1 ZINC001529095904 1014493884 /nfs/dbraw/zinc/49/38/84/1014493884.db2.gz ZAIQDRBNFHJGCP-UHFFFAOYSA-N 0 0 321.304 0.661 50 0 DCAARN O=C(N[C@H]1CC[C@H](O)CC1)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC001529095766 1014495054 /nfs/dbraw/zinc/49/50/54/1014495054.db2.gz XFNJTDAJICPKGL-XOUADPBQSA-N 0 0 318.373 0.662 50 0 DCAARN Cc1ccccc1[C@@H]1[C@@H](C(=O)N(C)CCCO)OCC(=O)N1C ZINC001529159393 1014509161 /nfs/dbraw/zinc/50/91/61/1014509161.db2.gz PRZJRVHCNSTBCM-CVEARBPZSA-N 0 0 320.389 0.734 50 0 DCAARN Cc1ncsc1C(=O)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001529158616 1014509317 /nfs/dbraw/zinc/50/93/17/1014509317.db2.gz GKXKMHLBRUFQIZ-ZYHUDNBSSA-N 0 0 304.375 0.917 50 0 DCAARN O=C([C@H]1OCC(=O)N[C@@H]1c1ccccc1)N1CCSCC1 ZINC001529179471 1014513178 /nfs/dbraw/zinc/51/31/78/1014513178.db2.gz BFRCGGRJOCPPEI-KGLIPLIRSA-N 0 0 306.387 0.818 50 0 DCAARN Cn1ccnc1C(=O)N1CCCN(C(=O)C2CCOCC2)CC1 ZINC001529180144 1014513227 /nfs/dbraw/zinc/51/32/27/1014513227.db2.gz BWWACSLQLWYDLS-UHFFFAOYSA-N 0 0 320.393 0.521 50 0 DCAARN O=C(CCc1cccnc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001529177622 1014513351 /nfs/dbraw/zinc/51/33/51/1014513351.db2.gz BNFOZFUPKNKLMS-GDBMZVCRSA-N 0 0 312.373 0.866 50 0 DCAARN CCc1ocnc1C(=O)N1C[C@@H](Cc2cc(C)n[nH]2)[C@H](O)C1 ZINC001529179956 1014513409 /nfs/dbraw/zinc/51/34/09/1014513409.db2.gz AEWDLGAJSRYUIE-ZYHUDNBSSA-N 0 0 304.350 0.944 50 0 DCAARN COC[C@@H]1CCCN(S(=O)(=O)NCCCn2ccnc2)C1 ZINC001506427313 1017268749 /nfs/dbraw/zinc/26/87/49/1017268749.db2.gz LXEWODKPHDBNOW-CYBMUJFWSA-N 0 0 316.427 0.466 50 0 DCAARN CN(CC[C@@H]1CCCCO1)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001506425180 1017266271 /nfs/dbraw/zinc/26/62/71/1017266271.db2.gz DHJJTSZBEGTTDV-NSHDSACASA-N 0 0 311.382 0.734 50 0 DCAARN CN(C)C(=O)CCN(C)C(=O)c1n[nH]c(=O)c2ccccc21 ZINC001506422581 1017266983 /nfs/dbraw/zinc/26/69/83/1017266983.db2.gz DATAXHKPIKJMKS-UHFFFAOYSA-N 0 0 302.334 0.886 50 0 DCAARN CCc1nn(C)c(NC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)c1C ZINC001506420447 1017267242 /nfs/dbraw/zinc/26/72/42/1017267242.db2.gz HPPPOYOZFHCYOT-JTQLQIEISA-N 0 0 307.354 0.512 50 0 DCAARN C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CCO1 ZINC000074614088 185003038 /nfs/dbraw/zinc/00/30/38/185003038.db2.gz RFCDUXKQPNNRRZ-OLZOCXBDSA-N 0 0 307.398 0.819 50 0 DCAARN O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)N1CCOCC1 ZINC000095479298 185373588 /nfs/dbraw/zinc/37/35/88/185373588.db2.gz AWTJNORYPQDEBB-LLVKDONJSA-N 0 0 314.345 0.775 50 0 DCAARN CCCc1nc(CN(CC)C(=O)CN2C(=O)CCNC2=O)no1 ZINC000095499007 185374778 /nfs/dbraw/zinc/37/47/78/185374778.db2.gz XWHWVVJWKKZTGJ-UHFFFAOYSA-N 0 0 323.353 0.313 50 0 DCAARN CC(=O)N[C@@H](CCC(N)=O)c1nc(-c2cccnc2)nn1C ZINC000095505438 185375359 /nfs/dbraw/zinc/37/53/59/185375359.db2.gz VOHCXDSIQVQKEN-NSHDSACASA-N 0 0 302.338 0.320 50 0 DCAARN COCC(=O)N1CCCN(C(=O)Nc2ccc(F)nc2)CC1 ZINC000095512051 185376374 /nfs/dbraw/zinc/37/63/74/185376374.db2.gz MHHHGTYAECJATK-UHFFFAOYSA-N 0 0 310.329 0.933 50 0 DCAARN Cc1nc(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)n(C)n1 ZINC000225395118 201699500 /nfs/dbraw/zinc/69/95/00/201699500.db2.gz MCHDMYZYFQIJGJ-SECBINFHSA-N 0 0 305.304 0.738 50 0 DCAARN CCCCSc1nc(N)cc(N2CCN(CC(N)=O)CC2)n1 ZINC000095520707 185377267 /nfs/dbraw/zinc/37/72/67/185377267.db2.gz JPIHBGJKMTTWMW-UHFFFAOYSA-N 0 0 324.454 0.558 50 0 DCAARN C[C@@H](NS(C)(=O)=O)C(=O)NCCc1nc2ccccc2n1C ZINC000077009406 185066741 /nfs/dbraw/zinc/06/67/41/185066741.db2.gz AQQGWAJTMZHYGD-SNVBAGLBSA-N 0 0 324.406 0.170 50 0 DCAARN COc1ccc2c(c1)OC[C@H](CNC(=O)CN1CCOC1=O)C2 ZINC000095528128 185378613 /nfs/dbraw/zinc/37/86/13/185378613.db2.gz GXPDXGABTQKIOY-NSHDSACASA-N 0 0 320.345 0.815 50 0 DCAARN Cc1nnc([C@@H]2CN(CC(=O)Nc3c(C)n[nH]c3C)CCO2)[nH]1 ZINC000078892485 185124095 /nfs/dbraw/zinc/12/40/95/185124095.db2.gz WTUGNJIEEKZSOM-NSHDSACASA-N 0 0 319.369 0.465 50 0 DCAARN CCc1nc(CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)no1 ZINC000078900652 185125717 /nfs/dbraw/zinc/12/57/17/185125717.db2.gz VIOMSKNUVQWZCC-VIFPVBQESA-N 0 0 304.354 0.834 50 0 DCAARN CC(C)[C@@H](CO)NC(=O)NCC(=O)N1CCc2ccccc21 ZINC000078929744 185130828 /nfs/dbraw/zinc/13/08/28/185130828.db2.gz RJMAOFPVTRNQNM-CYBMUJFWSA-N 0 0 305.378 0.892 50 0 DCAARN CN(C)c1ccc(O[C@@H]2CCN(C(=O)c3ccno3)C2)nn1 ZINC000225442652 201710496 /nfs/dbraw/zinc/71/04/96/201710496.db2.gz DKDXGJKJHLCYKM-SNVBAGLBSA-N 0 0 303.322 0.824 50 0 DCAARN COc1cc(/C=C\C(=O)N[C@H](C)C(N)=O)cc(OC)c1OC ZINC000096926304 185392013 /nfs/dbraw/zinc/39/20/13/185392013.db2.gz BUDWTWKAJWKISX-SSJHQANKSA-N 0 0 308.334 0.716 50 0 DCAARN COc1cccc(/C=C\C(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000096935859 185392780 /nfs/dbraw/zinc/39/27/80/185392780.db2.gz SEPMRGXXMKKUNV-SREVYHEPSA-N 0 0 324.402 0.812 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)NCCSc1nnnn1C ZINC000082086895 192354101 /nfs/dbraw/zinc/35/41/01/192354101.db2.gz JHJYYCMTNFUMQE-UHFFFAOYSA-N 0 0 323.426 0.402 50 0 DCAARN O=C([O-])C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000082099064 192355655 /nfs/dbraw/zinc/35/56/55/192355655.db2.gz IZLQKTGSFOOHQN-MRXNPFEDSA-N 0 0 320.393 0.741 50 0 DCAARN CN(C)c1ccc(O[C@H]2CCN(C(=O)c3ncccn3)C2)nn1 ZINC000225448983 201712254 /nfs/dbraw/zinc/71/22/54/201712254.db2.gz XQWJJZJUDIFVPH-NSHDSACASA-N 0 0 314.349 0.626 50 0 DCAARN Cc1ccc(N2C[C@H](C)N(C(=O)CNC(N)=O)CC2=O)cc1 ZINC000082109269 192357465 /nfs/dbraw/zinc/35/74/65/192357465.db2.gz OJNVJIQGCDKGST-NSHDSACASA-N 0 0 304.350 0.227 50 0 DCAARN CS(=O)(=O)NCc1cc2n(n1)CCCN(Cc1ccco1)C2 ZINC000082134194 192360326 /nfs/dbraw/zinc/36/03/26/192360326.db2.gz GCKMWZYNZWTUFP-UHFFFAOYSA-N 0 0 324.406 0.931 50 0 DCAARN C[C@H](c1nnnn1-c1ccccc1)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000095428191 185362203 /nfs/dbraw/zinc/36/22/03/185362203.db2.gz GKKXFAURACPONY-BPLDGKMQSA-N 0 0 314.393 0.738 50 0 DCAARN O=C(N[C@@H]1CCC(=O)NC1=O)c1cccc(N2CCCC2=O)c1 ZINC000095430607 185362742 /nfs/dbraw/zinc/36/27/42/185362742.db2.gz HHAOGWLPHROSCP-GFCCVEGCSA-N 0 0 315.329 0.348 50 0 DCAARN Cn1cc(C(=O)Nc2ccc(CN3CCOCC3)cn2)cn1 ZINC000095443711 185367061 /nfs/dbraw/zinc/36/70/61/185367061.db2.gz LCTINPQYHFCHMU-UHFFFAOYSA-N 0 0 301.350 0.900 50 0 DCAARN COC(=O)c1ccc(/C=C/C(=O)N2CC[C@H](NC(N)=O)C2)cc1 ZINC000095447654 185367924 /nfs/dbraw/zinc/36/79/24/185367924.db2.gz UGULUEZBUGPMFU-LVDDQXARSA-N 0 0 317.345 0.756 50 0 DCAARN O=C(Cc1ccccc1)NCCC(=O)N1CCOC[C@H]1CCO ZINC000095451151 185369039 /nfs/dbraw/zinc/36/90/39/185369039.db2.gz QRIREXLBCCGTTC-OAHLLOKOSA-N 0 0 320.389 0.345 50 0 DCAARN O=C([C@H]1CCC(=O)N1)N1CCN(c2ccncc2Cl)CC1 ZINC000095437775 185365431 /nfs/dbraw/zinc/36/54/31/185365431.db2.gz XFMXWNRHMJXMLM-LLVKDONJSA-N 0 0 308.769 0.662 50 0 DCAARN COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2nc[nH]n2)c1C ZINC000095454407 185369653 /nfs/dbraw/zinc/36/96/53/185369653.db2.gz SQURZIBLFDBKHR-VIFPVBQESA-N 0 0 324.362 0.939 50 0 DCAARN O=C(c1c[nH]c(=O)[nH]1)N1CCN(c2ncc(Cl)cn2)CC1 ZINC000097020778 185398151 /nfs/dbraw/zinc/39/81/51/185398151.db2.gz FDOKUKJODQFWNR-UHFFFAOYSA-N 0 0 308.729 0.109 50 0 DCAARN C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CC(=O)N1 ZINC000095468812 185372340 /nfs/dbraw/zinc/37/23/40/185372340.db2.gz LXFNSLNOLZLHKA-NWDGAFQWSA-N 0 0 319.361 0.479 50 0 DCAARN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCCCn1cccn1 ZINC000103098530 185432028 /nfs/dbraw/zinc/43/20/28/185432028.db2.gz HKMNNAPCGRZHRW-STQMWFEESA-N 0 0 318.377 0.565 50 0 DCAARN NC(=O)[C@@]1(O)CCN(c2ncnc3sc4c(c32)CCCC4)C1 ZINC000170088732 197769182 /nfs/dbraw/zinc/76/91/82/197769182.db2.gz JXGJRLUAYYEZOD-OAHLLOKOSA-N 0 0 318.402 0.997 50 0 DCAARN COc1nn(C)cc1C(=O)N1CC[C@H](Oc2cnccn2)C1 ZINC000225793826 201747506 /nfs/dbraw/zinc/74/75/06/201747506.db2.gz VLPLSRDMANFAAJ-JTQLQIEISA-N 0 0 303.322 0.512 50 0 DCAARN O=C(N[C@H]1C[C@H](CO)[C@@H](O)C1)c1cnn(-c2ccccc2)n1 ZINC000107286210 185474205 /nfs/dbraw/zinc/47/42/05/185474205.db2.gz UTBHQPHOOOQLMH-SUNKGSAMSA-N 0 0 302.334 0.129 50 0 DCAARN C[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCOCC1 ZINC000058343449 190692790 /nfs/dbraw/zinc/69/27/90/190692790.db2.gz FYBASFHEOCZWBX-SNVBAGLBSA-N 0 0 306.318 0.392 50 0 DCAARN Cc1cc(C)nc(NCCC(=O)NCCCN2CCOCC2)n1 ZINC000170625011 197794680 /nfs/dbraw/zinc/79/46/80/197794680.db2.gz KLKZUQCYBOUZDU-UHFFFAOYSA-N 0 0 321.425 0.734 50 0 DCAARN C[C@@H](Cc1cccc(F)c1)C(=O)O[C@@H]1CC(=O)N(CC(N)=O)C1 ZINC000069967863 190844494 /nfs/dbraw/zinc/84/44/94/190844494.db2.gz SEVBBIUZNJYBMB-GXFFZTMASA-N 0 0 322.336 0.634 50 0 DCAARN CN1C(=O)CO[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1F ZINC000072241578 282627048 /nfs/dbraw/zinc/62/70/48/282627048.db2.gz MWJRLVYOBWWDME-LSDHHAIUSA-N 0 0 322.336 0.583 50 0 DCAARN COC(=O)C(CCCC(C(=O)OC)C(=O)OC)C(=O)OC ZINC000002945999 290875181 /nfs/dbraw/zinc/87/51/81/290875181.db2.gz OMHGFALCNDQVOU-UHFFFAOYSA-N 0 0 304.295 0.081 50 0 DCAARN O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCC[C@](O)(CO)C1 ZINC000072120663 191039793 /nfs/dbraw/zinc/03/97/93/191039793.db2.gz IEPIPVQLDFDALR-OAHLLOKOSA-N 0 0 302.334 0.431 50 0 DCAARN COc1ccc(CCC(=O)N2CCC[C@@](O)(CO)C2)cc1OC ZINC000072145403 191050869 /nfs/dbraw/zinc/05/08/69/191050869.db2.gz AVKFYKMCHWQUBM-KRWDZBQOSA-N 0 0 323.389 0.982 50 0 DCAARN Cc1nc(C)c(CC(=O)N2CCC[C@@]3(CNC(=O)O3)C2)c(=O)[nH]1 ZINC000072167081 191067054 /nfs/dbraw/zinc/06/70/54/191067054.db2.gz MXRDDDALDQNWIM-OAHLLOKOSA-N 0 0 320.349 0.030 50 0 DCAARN c1c(-c2nc(CN3CCOCC3)no2)nnn1C[C@@H]1CCCO1 ZINC000072172417 191070056 /nfs/dbraw/zinc/07/00/56/191070056.db2.gz RTOGQLJRKUINRG-NSHDSACASA-N 0 0 320.353 0.339 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@@H]1CCC(=O)N1Cc1cccs1 ZINC000072239678 191082740 /nfs/dbraw/zinc/08/27/40/191082740.db2.gz PIZNTZBUBUAIPZ-NSHDSACASA-N 0 0 309.391 0.444 50 0 DCAARN CCOC(=O)N1CCN(S(=O)(=O)c2c(C)onc2N)CC1 ZINC000072240885 191083960 /nfs/dbraw/zinc/08/39/60/191083960.db2.gz KFPXVCANPRQREB-UHFFFAOYSA-N 0 0 318.355 0.028 50 0 DCAARN OC[C@H]1CCCN1c1cc(NCCNc2cccnn2)ncn1 ZINC000072276277 191097856 /nfs/dbraw/zinc/09/78/56/191097856.db2.gz VBISPHNKMRLURQ-GFCCVEGCSA-N 0 0 315.381 0.752 50 0 DCAARN COc1cccc(C(=O)NCCNC(=O)NC[C@H]2CCCO2)c1 ZINC000072282571 191102524 /nfs/dbraw/zinc/10/25/24/191102524.db2.gz JPUOFHIDNPKPMD-CQSZACIVSA-N 0 0 321.377 0.903 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@@H]1N1CCOCC1 ZINC000072300423 191114601 /nfs/dbraw/zinc/11/46/01/191114601.db2.gz KEJLBYXBBNYFPE-MCIONIFRSA-N 0 0 309.410 0.034 50 0 DCAARN O=C(CN1C(=O)CCC1=O)NC[C@H](c1ccsc1)N1CCC1 ZINC000225593482 186281128 /nfs/dbraw/zinc/28/11/28/186281128.db2.gz KWFIDWDOSJVCKJ-GFCCVEGCSA-N 0 0 321.402 0.760 50 0 DCAARN CC[C@@]1(O)CCN(C(=O)CCc2cc(Cl)no2)C[C@H]1O ZINC000072418267 191157248 /nfs/dbraw/zinc/15/72/48/191157248.db2.gz YKKKJDGAEGBNGI-ZWNOBZJWSA-N 0 0 302.758 0.995 50 0 DCAARN O=S(=O)(NCCn1cncn1)N1CCC[C@@H]1c1ccco1 ZINC000084432412 545701236 /nfs/dbraw/zinc/70/12/36/545701236.db2.gz TWFJJKQGLUPNDK-LLVKDONJSA-N 0 0 311.367 0.543 50 0 DCAARN CCc1ccccc1OCC(=O)N(C)CC(=O)N1CCOCC1 ZINC000072755852 191225348 /nfs/dbraw/zinc/22/53/48/191225348.db2.gz ONWFFVIDLUOMAA-UHFFFAOYSA-N 0 0 320.389 0.945 50 0 DCAARN O=S(=O)(Cc1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000001039698 180842101 /nfs/dbraw/zinc/84/21/01/180842101.db2.gz YDAFJEUFNUZORA-QWRGUYRKSA-N 0 0 324.807 0.413 50 0 DCAARN CCn1ncnc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000331925517 234282290 /nfs/dbraw/zinc/28/22/90/234282290.db2.gz UVNDXKNCFXDUHB-UHFFFAOYSA-N 0 0 301.276 0.924 50 0 DCAARN NC(=[NH2+])NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001540612 180872743 /nfs/dbraw/zinc/87/27/43/180872743.db2.gz SJSSFUMSAFMFNM-NSHDSACASA-N 0 0 308.338 0.629 50 0 DCAARN COCCCNC(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000002966241 180973013 /nfs/dbraw/zinc/97/30/13/180973013.db2.gz AVRGRDXPLLQLAC-UHFFFAOYSA-N 0 0 300.380 0.605 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(OC)cc1 ZINC000003306980 181002690 /nfs/dbraw/zinc/00/26/90/181002690.db2.gz YJCLWSKOKBJEGH-LBPRGKRZSA-N 0 0 306.318 0.199 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(Cl)cc1 ZINC000003306750 181002823 /nfs/dbraw/zinc/00/28/23/181002823.db2.gz QYKVZZMAOJFNHZ-NSHDSACASA-N 0 0 310.737 0.844 50 0 DCAARN COc1ccc2c(CC(=O)OCC(=O)NC(N)=O)coc2c1 ZINC000003379993 181013590 /nfs/dbraw/zinc/01/35/90/181013590.db2.gz WOZZPDWSCIEWST-UHFFFAOYSA-N 0 0 306.274 0.722 50 0 DCAARN C[C@H](NC(=O)c1cnccn1)c1ccc(S(N)(=O)=O)cc1 ZINC000003418159 181016816 /nfs/dbraw/zinc/01/68/16/181016816.db2.gz DQHYEBMDCUTQAQ-VIFPVBQESA-N 0 0 306.347 0.615 50 0 DCAARN O=C(COC(=O)C1=COCCO1)NCc1ccc2c(c1)OCO2 ZINC000003463660 181023487 /nfs/dbraw/zinc/02/34/87/181023487.db2.gz PUFGFSUBAVZCEA-UHFFFAOYSA-N 0 0 321.285 0.463 50 0 DCAARN CC(=O)N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O ZINC000003622822 181042140 /nfs/dbraw/zinc/04/21/40/181042140.db2.gz IFLZUQOFCCEFQX-JTQLQIEISA-N 0 0 305.212 0.726 50 0 DCAARN CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1[C@@H](C)C(C)=O ZINC000004033949 181065294 /nfs/dbraw/zinc/06/52/94/181065294.db2.gz BNTLKTMOXUZDPF-VIFPVBQESA-N 0 0 321.381 0.430 50 0 DCAARN Cc1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C)c1 ZINC000004270159 181090331 /nfs/dbraw/zinc/09/03/31/181090331.db2.gz QGQWHAXTXXRZTM-UHFFFAOYSA-N 0 0 323.374 0.502 50 0 DCAARN C[C@H](O)Cn1c(NCc2ccco2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004318051 181097302 /nfs/dbraw/zinc/09/73/02/181097302.db2.gz LKXCXMKURJAEPZ-QMMMGPOBSA-N 0 0 319.321 0.009 50 0 DCAARN Cc1ccc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000004338434 181099884 /nfs/dbraw/zinc/09/98/84/181099884.db2.gz QXJTWGYMCGUKHM-UHFFFAOYSA-N 0 0 310.331 0.160 50 0 DCAARN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NCCO)cc1 ZINC000004838523 181159879 /nfs/dbraw/zinc/15/98/79/181159879.db2.gz DPPTWXOFLZYGHJ-UHFFFAOYSA-N 0 0 315.395 0.831 50 0 DCAARN CCOC(=O)CSc1ccnc2c1c(=O)n(C)c(=O)n2C ZINC000004942222 181176359 /nfs/dbraw/zinc/17/63/59/181176359.db2.gz VIKOQGKFFBPJFB-UHFFFAOYSA-N 0 0 309.347 0.287 50 0 DCAARN COCc1ccc(CNC(=O)C(=O)Nc2cnn(C)c2)cc1 ZINC000075110628 191421236 /nfs/dbraw/zinc/42/12/36/191421236.db2.gz RQYOWGUDFFQFJX-UHFFFAOYSA-N 0 0 302.334 0.821 50 0 DCAARN COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12 ZINC000075532687 191486751 /nfs/dbraw/zinc/48/67/51/191486751.db2.gz NIBSGAYOUPAIQM-UHFFFAOYSA-N 0 0 305.269 0.086 50 0 DCAARN Cc1nc([C@@H]2CCCN2CC(=O)N[C@@H]2CCCCNC2=O)no1 ZINC000075573146 191493180 /nfs/dbraw/zinc/49/31/80/191493180.db2.gz NQFYJYPQWYXNGK-NEPJUHHUSA-N 0 0 321.381 0.300 50 0 DCAARN NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCSC2)c1 ZINC000075584422 191496520 /nfs/dbraw/zinc/49/65/20/191496520.db2.gz PVYFCPONILHSQO-SSDOTTSWSA-N 0 0 304.368 0.708 50 0 DCAARN CCn1c(N)nc2cc(C(=O)NCCN3CCOC3=O)cnc21 ZINC000077303832 191689379 /nfs/dbraw/zinc/68/93/79/191689379.db2.gz CWXAJVRNAGGFES-UHFFFAOYSA-N 0 0 318.337 0.215 50 0 DCAARN COc1ccc(C(=O)CCC(=O)N2CCOC[C@@H](O)C2)cc1 ZINC000077340499 191695909 /nfs/dbraw/zinc/69/59/09/191695909.db2.gz UDWFRPBJRKLHMG-ZDUSSCGKSA-N 0 0 307.346 0.878 50 0 DCAARN CC(=O)NCCNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000005123235 181206237 /nfs/dbraw/zinc/20/62/37/181206237.db2.gz DUQNRIGPOUADRA-GFCCVEGCSA-N 0 0 304.350 0.227 50 0 DCAARN COc1ccc(N(C)S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000005182997 181214641 /nfs/dbraw/zinc/21/46/41/181214641.db2.gz LNUJXALNSHXLDX-GFCCVEGCSA-N 0 0 319.404 0.648 50 0 DCAARN O=C(NCc1ccc(F)cc1)c1noc(CCn2cncn2)n1 ZINC000078774267 191929210 /nfs/dbraw/zinc/92/92/10/191929210.db2.gz BNHDPCUVMRBXJA-UHFFFAOYSA-N 0 0 316.296 0.973 50 0 DCAARN CC(C)CNc1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1 ZINC000005274367 181225622 /nfs/dbraw/zinc/22/56/22/181225622.db2.gz VNJGWJXZQIBGBU-UHFFFAOYSA-N 0 0 319.369 0.892 50 0 DCAARN CC(=O)C(Sc1nnnn1-c1ccccc1)C(=O)N(C)C ZINC000005283741 181226544 /nfs/dbraw/zinc/22/65/44/181226544.db2.gz FPAUBNMCIMUOQR-LLVKDONJSA-N 0 0 305.363 0.800 50 0 DCAARN CN(C(=O)CSc1ccccn1)[C@H]1CCS(=O)(=O)C1 ZINC000005622382 181264668 /nfs/dbraw/zinc/26/46/68/181264668.db2.gz PUQJOLAJFCQOBZ-JTQLQIEISA-N 0 0 300.405 0.819 50 0 DCAARN CC1(C)OCC(OCC(O)COC2COC(C)(C)OC2)CO1 ZINC000085483162 192513616 /nfs/dbraw/zinc/51/36/16/192513616.db2.gz LKMPEWGOAMMQKB-UHFFFAOYSA-N 0 0 320.382 0.684 50 0 DCAARN O=C(NCCNc1cc(-n2cccc2)ncn1)[C@H]1CCCO1 ZINC000085557420 192515584 /nfs/dbraw/zinc/51/55/84/192515584.db2.gz UKTHTJXXPIZSKO-GFCCVEGCSA-N 0 0 301.350 0.974 50 0 DCAARN CNC(=O)[C@@H](C)NC(=O)N(C)c1ccccc1S(C)(=O)=O ZINC000225646631 290535766 /nfs/dbraw/zinc/53/57/66/290535766.db2.gz BZSLEVJLDMMJBN-SECBINFHSA-N 0 0 313.379 0.370 50 0 DCAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)C)[C@H](C)O)cc1 ZINC000180905385 199226559 /nfs/dbraw/zinc/22/65/59/199226559.db2.gz NBCHXUQJCKSUAI-JQWIXIFHSA-N 0 0 300.380 0.111 50 0 DCAARN CCCNC(=O)NC(=O)CN(C)CC(=O)Nc1cccc(C)n1 ZINC000069518987 283372706 /nfs/dbraw/zinc/37/27/06/283372706.db2.gz AEHULQDNTUOSPQ-UHFFFAOYSA-N 0 0 321.381 0.496 50 0 DCAARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)C2CCC2)c1 ZINC000005935816 181298129 /nfs/dbraw/zinc/29/81/29/181298129.db2.gz DEJBEYFZPWFCEP-UHFFFAOYSA-N 0 0 312.347 0.616 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)NCc2ccoc2)CC1 ZINC000089486662 192801230 /nfs/dbraw/zinc/80/12/30/192801230.db2.gz NDHIXOKCOFEURD-UHFFFAOYSA-N 0 0 301.368 0.503 50 0 DCAARN O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)NC1CCCCC1 ZINC000089818446 192877162 /nfs/dbraw/zinc/87/71/62/192877162.db2.gz IWSTXNNTAFVAPC-ZUZCIYMTSA-N 0 0 308.382 0.997 50 0 DCAARN Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)CCN2CCCCO2)C1 ZINC000244715970 202491615 /nfs/dbraw/zinc/49/16/15/202491615.db2.gz LFZMYGXAFNXYFK-HAQNSBGRSA-N 0 0 323.397 0.087 50 0 DCAARN Cc1nc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c(C)o1 ZINC000408522568 239270660 /nfs/dbraw/zinc/27/06/60/239270660.db2.gz JUGIYMHDMOTYAW-JTQLQIEISA-N 0 0 313.354 0.907 50 0 DCAARN COC(=O)CNC(=O)COC(=O)c1ccc2ncsc2c1 ZINC000006647368 181364459 /nfs/dbraw/zinc/36/44/59/181364459.db2.gz XVZCFAYUTRSECR-UHFFFAOYSA-N 0 0 308.315 0.742 50 0 DCAARN COc1ccc(CCNC(=O)CSc2nnnn2C)cc1 ZINC000006643588 181364589 /nfs/dbraw/zinc/36/45/89/181364589.db2.gz SGQSMWNQTYHGCB-UHFFFAOYSA-N 0 0 307.379 0.670 50 0 DCAARN COc1ccc(C[C@](C)(O)CNC(=O)c2cn(C)nn2)cc1 ZINC000206706257 201429847 /nfs/dbraw/zinc/42/98/47/201429847.db2.gz HTPMBBOMEJFJGV-HNNXBMFYSA-N 0 0 304.350 0.547 50 0 DCAARN CCS(=O)(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000006726482 181377970 /nfs/dbraw/zinc/37/79/70/181377970.db2.gz CDNSKQUGNTZDDW-UHFFFAOYSA-N 0 0 324.449 0.404 50 0 DCAARN O=C(COc1ccccc1F)NC[C@H](O)Cn1ccccc1=O ZINC000211127369 201439668 /nfs/dbraw/zinc/43/96/68/201439668.db2.gz ZYYCAIZSTRCJOV-LBPRGKRZSA-N 0 0 320.320 0.544 50 0 DCAARN Cc1nc(CCNC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)sc1C ZINC000091452685 193058851 /nfs/dbraw/zinc/05/88/51/193058851.db2.gz RRQVAHPJULPCPP-JTQLQIEISA-N 0 0 324.406 0.701 50 0 DCAARN Cc1cc(C)c(C(=O)NCCCc2nnc(N)s2)c(=O)[nH]1 ZINC000091381640 193048692 /nfs/dbraw/zinc/04/86/92/193048692.db2.gz VUWYPEMHJDSJPM-UHFFFAOYSA-N 0 0 307.379 0.788 50 0 DCAARN CC(C)c1cncnc1N1C[C@H](CO)[C@H](CN2CCOCC2)C1 ZINC000091563076 193073989 /nfs/dbraw/zinc/07/39/89/193073989.db2.gz SQIAMBATFTVBFT-HUUCEWRRSA-N 0 0 320.437 0.977 50 0 DCAARN CN(C)C(=O)c1cncc(N2CCC3(CC2)OCCC[C@@H]3O)n1 ZINC000091574427 193074763 /nfs/dbraw/zinc/07/47/63/193074763.db2.gz DMSCGILYMDJIHD-ZDUSSCGKSA-N 0 0 320.393 0.689 50 0 DCAARN Nc1nc(CCC(=O)N2CC[C@@]3(C2)CCCNC3=O)cs1 ZINC000091649835 193084854 /nfs/dbraw/zinc/08/48/54/193084854.db2.gz WYCJZGQILYYFRB-CQSZACIVSA-N 0 0 308.407 0.787 50 0 DCAARN CC(C)N1CCC[C@@]2(CCN(C(=O)CN3CCOC3=O)C2)C1=O ZINC000091679609 193090130 /nfs/dbraw/zinc/09/01/30/193090130.db2.gz MMPGVHVKEGESKW-INIZCTEOSA-N 0 0 323.393 0.688 50 0 DCAARN COC[C@H](O)CNC(=O)c1cnc(-c2ccccc2)[nH]c1=O ZINC000091680377 193090480 /nfs/dbraw/zinc/09/04/80/193090480.db2.gz ZVFIWDKGKOWVQS-LLVKDONJSA-N 0 0 303.318 0.174 50 0 DCAARN Cc1cn(CCNC(=O)Cn2cnc3ccccc3c2=O)nn1 ZINC000091770571 193104672 /nfs/dbraw/zinc/10/46/72/193104672.db2.gz HYSWBXCSUHQYET-UHFFFAOYSA-N 0 0 312.333 0.113 50 0 DCAARN COCC[C@@]1(CO)CCCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC000091809049 193110867 /nfs/dbraw/zinc/11/08/67/193110867.db2.gz KZLMNZJFUHXJBQ-INIZCTEOSA-N 0 0 308.378 0.637 50 0 DCAARN O=C1CC[C@H](c2nc(CN3CCOCC3)no2)CN1C1CC1 ZINC000091848949 193116812 /nfs/dbraw/zinc/11/68/12/193116812.db2.gz QIGZYXVMRBYQGD-NSHDSACASA-N 0 0 306.366 0.770 50 0 DCAARN CCNC(=O)CN1CCN(C(=O)C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000091896681 193124261 /nfs/dbraw/zinc/12/42/61/193124261.db2.gz YOWNYSVQGPWFNC-ILXRZTDVSA-N 0 0 305.422 0.869 50 0 DCAARN CCN(C(=O)c1cc(=O)[nH]c2ccccc21)[C@H]1COC[C@@H]1O ZINC000092046215 193147726 /nfs/dbraw/zinc/14/77/26/193147726.db2.gz DYBZSPQMFGICJA-KBPBESRZSA-N 0 0 302.330 0.750 50 0 DCAARN COCc1cc(CNC(=O)Cn2c3ccccc3oc2=O)[nH]n1 ZINC000219336762 201554031 /nfs/dbraw/zinc/55/40/31/201554031.db2.gz NSKJTVLWLJMEQR-UHFFFAOYSA-N 0 0 316.317 0.780 50 0 DCAARN CC(C)Cc1cc(CNC(=O)[C@@H](C)NS(C)(=O)=O)on1 ZINC000222922165 201627368 /nfs/dbraw/zinc/62/73/68/201627368.db2.gz NBGZEWMZEQVDFY-SECBINFHSA-N 0 0 303.384 0.427 50 0 DCAARN Cc1noc(C)c1CCC(=O)N[C@@H]1COCC[C@@H]1OCCO ZINC000223245457 201639424 /nfs/dbraw/zinc/63/94/24/201639424.db2.gz JLDKMGZJFJTFGG-KGLIPLIRSA-N 0 0 312.366 0.507 50 0 DCAARN CCc1ncnc(NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c1F ZINC000253416843 202876479 /nfs/dbraw/zinc/87/64/79/202876479.db2.gz BSXXINTZHYKKBG-RTHLEPHNSA-N 0 0 307.329 0.968 50 0 DCAARN Cn1ccnc1N1CCC(NS(=O)(=O)c2ccnn2C)CC1 ZINC000253432794 202889648 /nfs/dbraw/zinc/88/96/48/202889648.db2.gz ODSJUZMLTYCVID-UHFFFAOYSA-N 0 0 324.410 0.101 50 0 DCAARN CC[C@@H](Sc1nc2c(cnn2CCO)c(=O)[nH]1)C(=O)OC ZINC000007418168 181464584 /nfs/dbraw/zinc/46/45/84/181464584.db2.gz WHELFYBPTMKILS-MRVPVSSYSA-N 0 0 312.351 0.156 50 0 DCAARN CN([C@H](C(N)=O)c1cccc(Br)c1)S(C)(=O)=O ZINC000093049704 193198460 /nfs/dbraw/zinc/19/84/60/193198460.db2.gz UTOMRUZATOGCHS-VIFPVBQESA-N 0 0 321.196 0.867 50 0 DCAARN Cn1c(SCC(=O)N2CCOC2=O)nnc1-c1ccncc1 ZINC000007729583 181490278 /nfs/dbraw/zinc/49/02/78/181490278.db2.gz QIDCZMPOGPFUER-UHFFFAOYSA-N 0 0 319.346 0.948 50 0 DCAARN CCn1c(N)c(N(C)CCOc2ccccc2)c(=O)[nH]c1=O ZINC000007735877 181490415 /nfs/dbraw/zinc/49/04/15/181490415.db2.gz NLBPLUIGYDBAFT-UHFFFAOYSA-N 0 0 304.350 0.654 50 0 DCAARN CSCC[C@@H](CO)NC(=O)c1ccc(Cn2cnnn2)cc1 ZINC000263587886 203485551 /nfs/dbraw/zinc/48/55/51/203485551.db2.gz MKJRWCBDIKXOGC-ZDUSSCGKSA-N 0 0 321.406 0.565 50 0 DCAARN COc1c(C(=O)N2CCOCC2)nnn1Cc1ccccc1 ZINC000096183326 193563221 /nfs/dbraw/zinc/56/32/21/193563221.db2.gz JMYOQIUNHMWHJN-UHFFFAOYSA-N 0 0 302.334 0.807 50 0 DCAARN CCn1c(SCC(=O)NC2CC2)nnc1N1CCOCC1 ZINC000008249698 181540010 /nfs/dbraw/zinc/54/00/10/181540010.db2.gz RJSLMTAUJSGXTH-UHFFFAOYSA-N 0 0 311.411 0.505 50 0 DCAARN O=C(NCc1nnc2ccccn21)c1ccc(-n2cnnn2)cc1 ZINC000008393640 181553872 /nfs/dbraw/zinc/55/38/72/181553872.db2.gz IWGMIGLFBWJOSR-UHFFFAOYSA-N 0 0 320.316 0.635 50 0 DCAARN CCNC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1 ZINC000008626182 181570067 /nfs/dbraw/zinc/57/00/67/181570067.db2.gz HBPUBGSMGJIRLJ-UHFFFAOYSA-N 0 0 313.375 0.838 50 0 DCAARN COC(=O)CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000008987813 181595018 /nfs/dbraw/zinc/59/50/18/181595018.db2.gz KQSLIMDZIVNJLF-UHFFFAOYSA-N 0 0 312.347 0.129 50 0 DCAARN O=C(NCCNC(=O)c1cccnc1Cl)c1cnccn1 ZINC000009305692 181612557 /nfs/dbraw/zinc/61/25/57/181612557.db2.gz CKCOEFWYXAMCEN-UHFFFAOYSA-N 0 0 305.725 0.685 50 0 DCAARN CCCC(=O)N(CCOC)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000009754584 181639764 /nfs/dbraw/zinc/63/97/64/181639764.db2.gz SHKTUVROWQZGSI-UHFFFAOYSA-N 0 0 312.370 0.308 50 0 DCAARN COC(=O)C[C@@H](NC(=O)NCc1ccc(OC)cc1)C(=O)OC ZINC000011766732 181705214 /nfs/dbraw/zinc/70/52/14/181705214.db2.gz ARUJREVKHLAZML-GFCCVEGCSA-N 0 0 324.333 0.599 50 0 DCAARN COc1ccc(-c2noc(C(=O)N(C)CCO)n2)cc1OC ZINC000012407659 181757710 /nfs/dbraw/zinc/75/77/10/181757710.db2.gz YQHBTYGUDMPGQG-UHFFFAOYSA-N 0 0 307.306 0.818 50 0 DCAARN Cc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)[nH]c2c1C(=O)CCC2 ZINC000044873747 291527768 /nfs/dbraw/zinc/52/77/68/291527768.db2.gz HXJUXLIZDYSSGT-SECBINFHSA-N 0 0 310.375 0.759 50 0 DCAARN CNC(=O)NC(=O)CSc1ccc(C(=O)N2CCCC2)cn1 ZINC000012813520 181800816 /nfs/dbraw/zinc/80/08/16/181800816.db2.gz PUFFJRWRZVILLW-UHFFFAOYSA-N 0 0 322.390 0.865 50 0 DCAARN CCCn1c(N)c(C(=O)CSc2ccccn2)c(=O)[nH]c1=O ZINC000014093700 181925090 /nfs/dbraw/zinc/92/50/90/181925090.db2.gz SJPMTLJGXRRANH-UHFFFAOYSA-N 0 0 320.374 0.899 50 0 DCAARN Cn1c(=O)n(C)c(=O)n(Cc2csc(-c3ccco3)n2)c1=O ZINC000015085295 181988490 /nfs/dbraw/zinc/98/84/90/181988490.db2.gz FFCASHLSUOUOKG-UHFFFAOYSA-N 0 0 320.330 0.011 50 0 DCAARN Cc1ccc(C(=O)N2CCN(C(=O)c3nonc3N)CC2)cc1 ZINC000015670946 182010929 /nfs/dbraw/zinc/01/09/29/182010929.db2.gz CFMDFZPVMLKKCM-UHFFFAOYSA-N 0 0 315.333 0.558 50 0 DCAARN O=C(NC1CC1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000015866087 182022345 /nfs/dbraw/zinc/02/23/45/182022345.db2.gz LSLRTCGUGDHQSY-UHFFFAOYSA-N 0 0 309.391 0.761 50 0 DCAARN COc1ccc2c(c1)C=C(C(=O)N[C@@H]1CCS(=O)(=O)C1)CO2 ZINC000015786317 182017093 /nfs/dbraw/zinc/01/70/93/182017093.db2.gz RLLXCJXLUVOTBB-GFCCVEGCSA-N 0 0 323.370 0.774 50 0 DCAARN CCCCS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000017055394 182072527 /nfs/dbraw/zinc/07/25/27/182072527.db2.gz IKSMBSBTWQVMMC-UHFFFAOYSA-N 0 0 320.436 0.596 50 0 DCAARN O=C(NCCCN1CCOCC1)C(=O)Nc1ccccc1F ZINC000019831156 182154284 /nfs/dbraw/zinc/15/42/84/182154284.db2.gz BZVOJCPINRFAFV-UHFFFAOYSA-N 0 0 309.341 0.603 50 0 DCAARN CCOC(=O)c1csc(NC(=O)CN2CCN(C)CC2)n1 ZINC000019924918 182165021 /nfs/dbraw/zinc/16/50/21/182165021.db2.gz BHKBWMYHFRKACP-UHFFFAOYSA-N 0 0 312.395 0.506 50 0 DCAARN CCOC(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019866576 182158446 /nfs/dbraw/zinc/15/84/46/182158446.db2.gz WIQLOUOKEHGMRS-UHFFFAOYSA-N 0 0 320.345 0.623 50 0 DCAARN CC(C)N(C)Cc1nnnn1CC(=O)N(C)C[C@H]1CCCCO1 ZINC000020109961 182187911 /nfs/dbraw/zinc/18/79/11/182187911.db2.gz SUAUZIRPAKJVHG-CYBMUJFWSA-N 0 0 324.429 0.541 50 0 DCAARN O=C(NCCc1ccccn1)c1cnc2c(O)cccn2c1=O ZINC000097632100 193741610 /nfs/dbraw/zinc/74/16/10/193741610.db2.gz NMUADWFENGFNTG-UHFFFAOYSA-N 0 0 310.313 0.768 50 0 DCAARN S=C1NCN(Cc2ccccc2)CN1CCN1CCOCC1 ZINC000020384711 182213722 /nfs/dbraw/zinc/21/37/22/182213722.db2.gz DJAGNQHKBTXJNZ-UHFFFAOYSA-N 0 0 320.462 0.926 50 0 DCAARN c1nc2c(nc3n2CCCC3)c(NCCN2CCOCC2)n1 ZINC000020557112 182231315 /nfs/dbraw/zinc/23/13/15/182231315.db2.gz LREKVVCQVSVUTQ-UHFFFAOYSA-N 0 0 302.382 0.907 50 0 DCAARN O=C(CN1CCNC1=O)N1CCC[C@@H](OCc2ccccn2)C1 ZINC000020668353 182242112 /nfs/dbraw/zinc/24/21/12/182242112.db2.gz HOBMBLKRTMQDHE-CQSZACIVSA-N 0 0 318.377 0.614 50 0 DCAARN COc1ccc(NC(=O)Cn2ncc(N(C)C)cc2=O)cn1 ZINC000020997479 182257930 /nfs/dbraw/zinc/25/79/30/182257930.db2.gz HFGVTHVJCZDYNO-UHFFFAOYSA-N 0 0 303.322 0.352 50 0 DCAARN Cn1nnnc1-c1cccc(NC(=O)CNC(=O)C(C)(C)C)c1 ZINC000021129814 182266238 /nfs/dbraw/zinc/26/62/38/182266238.db2.gz OXFPTXXDWKVWAK-UHFFFAOYSA-N 0 0 316.365 0.978 50 0 DCAARN O=C(CCO)N1CCN(c2ncnc3sccc32)C[C@@H](O)C1 ZINC000097773018 193755861 /nfs/dbraw/zinc/75/58/61/193755861.db2.gz BYMHJYLDWXUDIC-JTQLQIEISA-N 0 0 322.390 0.083 50 0 DCAARN CCc1ccc(-n2nc(CO)c(C(=O)N[C@@H](CC)CO)n2)cc1 ZINC000021173196 182268131 /nfs/dbraw/zinc/26/81/31/182268131.db2.gz CXOAIGZKMPZZEC-LBPRGKRZSA-N 0 0 318.377 0.823 50 0 DCAARN CN(CC(=O)Nc1ncccn1)S(=O)(=O)c1cccs1 ZINC000021211215 182269192 /nfs/dbraw/zinc/26/91/92/182269192.db2.gz XAPDIXDCQBHZHR-UHFFFAOYSA-N 0 0 312.376 0.797 50 0 DCAARN Nc1nccnc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 ZINC000022108996 182309434 /nfs/dbraw/zinc/30/94/34/182309434.db2.gz XKJQXEBDCRZSPO-UHFFFAOYSA-N 0 0 314.301 0.101 50 0 DCAARN Cc1cc(COC(=O)C2CCN(S(C)(=O)=O)CC2)on1 ZINC000021933253 182298678 /nfs/dbraw/zinc/29/86/78/182298678.db2.gz VABPFXROJKVGHI-UHFFFAOYSA-N 0 0 302.352 0.698 50 0 DCAARN NC(=O)C1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1 ZINC000022407305 182320613 /nfs/dbraw/zinc/32/06/13/182320613.db2.gz VZTVCTSSAZOCBX-UHFFFAOYSA-N 0 0 303.362 0.069 50 0 DCAARN NC(=O)CN1CCC(NC(=O)c2ccc3ccccc3n2)CC1 ZINC000022226957 182313838 /nfs/dbraw/zinc/31/38/38/182313838.db2.gz ZELRHTGDCPCHLQ-UHFFFAOYSA-N 0 0 312.373 0.914 50 0 DCAARN COC(=O)c1ccccc1NC(=O)CN(C)S(C)(=O)=O ZINC000022606564 182327775 /nfs/dbraw/zinc/32/77/75/182327775.db2.gz CSIXYGJRUTWFPS-UHFFFAOYSA-N 0 0 300.336 0.303 50 0 DCAARN CC(C)OC(=O)COC(=O)c1csc(S(N)(=O)=O)c1 ZINC000022747986 182332420 /nfs/dbraw/zinc/33/24/20/182332420.db2.gz RRCGMBFOSUAEIR-UHFFFAOYSA-N 0 0 307.349 0.504 50 0 DCAARN CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)OC)c1 ZINC000022987864 182344025 /nfs/dbraw/zinc/34/40/25/182344025.db2.gz QMBSPLQPOPZHHE-UHFFFAOYSA-N 0 0 301.320 0.315 50 0 DCAARN C[C@H](C(N)=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022798912 182335231 /nfs/dbraw/zinc/33/52/31/182335231.db2.gz NWZGLRYIAPAWJB-LLVKDONJSA-N 0 0 308.357 0.256 50 0 DCAARN COC(=O)C(C)(C)NC(=O)Cn1cnc2ccc(F)cc2c1=O ZINC000023176829 182352481 /nfs/dbraw/zinc/35/24/81/182352481.db2.gz HXRFPGZNINVHJV-UHFFFAOYSA-N 0 0 321.308 0.603 50 0 DCAARN CN(CC(=O)N1CCNC(=O)C1)Cc1c(F)cccc1Cl ZINC000024225509 182377147 /nfs/dbraw/zinc/37/71/47/182377147.db2.gz PLCQBECFWVBUAL-UHFFFAOYSA-N 0 0 313.760 0.869 50 0 DCAARN Cc1cc(CN2CCN(c3ncnc4c3cnn4C)CC2)no1 ZINC000024245239 182378251 /nfs/dbraw/zinc/37/82/51/182378251.db2.gz AWFPDAZCQVTXDH-UHFFFAOYSA-N 0 0 313.365 0.982 50 0 DCAARN CC(C)N1C(=O)C(=O)N(CC(=O)N(C)Cc2cccs2)C1=O ZINC000024311493 182378786 /nfs/dbraw/zinc/37/87/86/182378786.db2.gz FJKQIXGRGLZOMN-UHFFFAOYSA-N 0 0 323.374 0.906 50 0 DCAARN O=C1C(=O)N(CN2CCOCC2)C(=O)N1CCc1cccs1 ZINC000024014556 182372557 /nfs/dbraw/zinc/37/25/57/182372557.db2.gz PEBXEWIMZMUNRH-UHFFFAOYSA-N 0 0 323.374 0.371 50 0 DCAARN CCN(C1CC1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000024776481 182390898 /nfs/dbraw/zinc/39/08/98/182390898.db2.gz JEJFMWJINPZILY-UHFFFAOYSA-N 0 0 304.393 0.507 50 0 DCAARN Cc1cc(NC(=O)CCN2CCN(C(=O)C3CC3)CC2)no1 ZINC000024595517 182384647 /nfs/dbraw/zinc/38/46/47/182384647.db2.gz MQLLDQTXMNQLCW-UHFFFAOYSA-N 0 0 306.366 0.866 50 0 DCAARN Cn1cc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cn1 ZINC000025307855 182408323 /nfs/dbraw/zinc/40/83/23/182408323.db2.gz KGOKOKROZSNGTO-UHFFFAOYSA-N 0 0 319.365 0.956 50 0 DCAARN COc1ccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cn1 ZINC000025896947 182424446 /nfs/dbraw/zinc/42/44/46/182424446.db2.gz PFIUJVXRHPDKQJ-SNVBAGLBSA-N 0 0 313.379 0.700 50 0 DCAARN CN(CC(=O)NCC1CCC1)C1=NS(=O)(=O)c2ccccc21 ZINC000026139665 182430691 /nfs/dbraw/zinc/43/06/91/182430691.db2.gz ZPWVYRWSGPVWNE-UHFFFAOYSA-N 0 0 321.402 0.984 50 0 DCAARN CCCc1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)[nH]n1 ZINC000029992385 182582177 /nfs/dbraw/zinc/58/21/77/182582177.db2.gz DFVYOXPCQVIEIP-UHFFFAOYSA-N 0 0 314.411 0.516 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)Cn2cccn2)c1 ZINC000031396659 182613083 /nfs/dbraw/zinc/61/30/83/182613083.db2.gz XEQMLRIXIWFTMJ-LLVKDONJSA-N 0 0 322.390 0.610 50 0 DCAARN C[C@@H]1CN(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)CCO1 ZINC000032869471 182673314 /nfs/dbraw/zinc/67/33/14/182673314.db2.gz MUVPEDJFAWOOPU-OCCSQVGLSA-N 0 0 303.362 0.828 50 0 DCAARN O=C(Cn1cccnc1=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000033004847 182687806 /nfs/dbraw/zinc/68/78/06/182687806.db2.gz OQJQIAZLHHFCNI-CQSZACIVSA-N 0 0 317.320 0.983 50 0 DCAARN CC(C)NC(=O)Cn1c(=O)ccn(Cc2ccc(F)cc2)c1=O ZINC000033331021 182706153 /nfs/dbraw/zinc/70/61/53/182706153.db2.gz SYBMXVMPHULURY-UHFFFAOYSA-N 0 0 319.336 0.722 50 0 DCAARN COC(=O)c1cn(CCO)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000101713084 193837165 /nfs/dbraw/zinc/83/71/65/193837165.db2.gz JKWWPUKIAHGNHL-UHFFFAOYSA-N 0 0 313.313 0.918 50 0 DCAARN CCCC(=O)N(Cc1ccccc1)c1c(N)[nH]c(=O)n(C)c1=O ZINC000039125209 183014249 /nfs/dbraw/zinc/01/42/49/183014249.db2.gz WJDFZSLLZVNCED-UHFFFAOYSA-N 0 0 316.361 0.989 50 0 DCAARN CS(=O)(=O)N1CCN(C[C@@H](O)c2ccccc2Cl)CC1 ZINC000040105730 183035303 /nfs/dbraw/zinc/03/53/03/183035303.db2.gz KYADSIDXEQFLJS-CYBMUJFWSA-N 0 0 318.826 0.951 50 0 DCAARN COc1ccc(Cl)cc1C(=O)NCCCS(N)(=O)=O ZINC000040382764 183058824 /nfs/dbraw/zinc/05/88/24/183058824.db2.gz MALZXRANMKUTCR-UHFFFAOYSA-N 0 0 306.771 0.757 50 0 DCAARN Cc1[nH]ccc(=O)c1OCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000040267729 183049710 /nfs/dbraw/zinc/04/97/10/183049710.db2.gz RNQJDBBBZUPGMF-UHFFFAOYSA-N 0 0 301.302 0.800 50 0 DCAARN NC(=O)C1CCN(C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000040476255 183075428 /nfs/dbraw/zinc/07/54/28/183075428.db2.gz HHAXDAINZZJENZ-UHFFFAOYSA-N 0 0 319.361 0.865 50 0 DCAARN Cc1cc(C)n2ncc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2n1 ZINC000040498443 183082712 /nfs/dbraw/zinc/08/27/12/183082712.db2.gz HJVYEAUSTUFFBL-JTQLQIEISA-N 0 0 308.363 0.263 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cn2ccnc2)cc1 ZINC000040513604 183087940 /nfs/dbraw/zinc/08/79/40/183087940.db2.gz AYNGZYFVHHEKKI-CQSZACIVSA-N 0 0 319.386 0.848 50 0 DCAARN CN(Cc1ccc(F)c(F)c1)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000040514079 183088738 /nfs/dbraw/zinc/08/87/38/183088738.db2.gz DKRMMEBEHVEIKL-UHFFFAOYSA-N 0 0 323.299 0.484 50 0 DCAARN CN(CCCNC(=O)c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000040515432 183088785 /nfs/dbraw/zinc/08/87/85/183088785.db2.gz VVBNLSSGOOKIDT-UHFFFAOYSA-N 0 0 314.363 0.427 50 0 DCAARN Cn1nccc1/C=C/C(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000040516552 183089152 /nfs/dbraw/zinc/08/91/52/183089152.db2.gz RVIDVWOBPDYJPH-SNAWJCMRSA-N 0 0 302.378 0.951 50 0 DCAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)[C@@H](C)NC(C)=O)cc1 ZINC000040456754 183069328 /nfs/dbraw/zinc/06/93/28/183069328.db2.gz BDPSMDWITVPGRC-GHMZBOCLSA-N 0 0 322.361 0.768 50 0 DCAARN C[C@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)c1nncn1C ZINC000040539997 183097210 /nfs/dbraw/zinc/09/72/10/183097210.db2.gz GOBKPIBYMUQOPU-VHSXEESVSA-N 0 0 300.384 0.284 50 0 DCAARN O=S(=O)(NCCOCCO)c1cccc(Br)c1 ZINC000040826013 183137864 /nfs/dbraw/zinc/13/78/64/183137864.db2.gz DITWPDQTAAIZQI-UHFFFAOYSA-N 0 0 324.196 0.736 50 0 DCAARN CCn1nc(C(=O)N2CC[C@H](C(N)=O)C2)c2ccccc2c1=O ZINC000041126587 183168799 /nfs/dbraw/zinc/16/87/99/183168799.db2.gz VXOARZJZKBWIHD-JTQLQIEISA-N 0 0 314.345 0.364 50 0 DCAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC[C@H]1CCOC1 ZINC000041379597 183187988 /nfs/dbraw/zinc/18/79/88/183187988.db2.gz KNLNUFATKZFDPV-SNVBAGLBSA-N 0 0 303.318 0.255 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccnc2)n(C)c1 ZINC000041976745 183227626 /nfs/dbraw/zinc/22/76/26/183227626.db2.gz GXFCCOGFWHCPGU-JTQLQIEISA-N 0 0 322.390 0.819 50 0 DCAARN CCCS(=O)(=O)NC1CCN(Cc2nnc(C)o2)CC1 ZINC000042134115 183234256 /nfs/dbraw/zinc/23/42/56/183234256.db2.gz DGYSVRZLCNLEMI-UHFFFAOYSA-N 0 0 302.400 0.672 50 0 DCAARN CC(=O)N1CCC(C(=O)N(C)Cc2nnc3n2CCC3)CC1 ZINC000042749704 183304669 /nfs/dbraw/zinc/30/46/69/183304669.db2.gz QDNVYVWTMYLMFE-UHFFFAOYSA-N 0 0 305.382 0.441 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CCO1 ZINC000043732215 183384304 /nfs/dbraw/zinc/38/43/04/183384304.db2.gz OQJLBBTUMAPKJF-SNVBAGLBSA-N 0 0 305.309 0.783 50 0 DCAARN COC(=O)CNC(=O)c1ccc(NC(=O)N2CCOCC2)cc1 ZINC000043849439 183387910 /nfs/dbraw/zinc/38/79/10/183387910.db2.gz OBQHEYUIKFEYID-UHFFFAOYSA-N 0 0 321.333 0.454 50 0 DCAARN CCN(C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)[C@@H]1CC(=O)NC1=O ZINC000103399364 193926305 /nfs/dbraw/zinc/92/63/05/193926305.db2.gz IDRALNGVRUKRPR-PWSUYJOCSA-N 0 0 322.748 0.907 50 0 DCAARN O=C(NC[C@H]1Cc2ccccc2O1)N[C@@H]1CCCCNC1=O ZINC000045666629 183522679 /nfs/dbraw/zinc/52/26/79/183522679.db2.gz UFRCIQDWHGADMB-CHWSQXEVSA-N 0 0 303.362 0.958 50 0 DCAARN O=C1CCc2cc(S(=O)(=O)NC[C@@H]3CCOC3)ccc2N1 ZINC000045743068 183526686 /nfs/dbraw/zinc/52/66/86/183526686.db2.gz OULZHIMWXPVKKA-JTQLQIEISA-N 0 0 310.375 0.886 50 0 DCAARN Cc1cc(CN2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)no1 ZINC000046166767 183555707 /nfs/dbraw/zinc/55/57/07/183555707.db2.gz NZQBWJKADXJLPE-LBPRGKRZSA-N 0 0 306.366 0.106 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC000046183228 183556767 /nfs/dbraw/zinc/55/67/67/183556767.db2.gz KFUJEOBBVHOTHW-LBPRGKRZSA-N 0 0 304.412 0.486 50 0 DCAARN Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1cnn(C)c1 ZINC000047529997 183593895 /nfs/dbraw/zinc/59/38/95/183593895.db2.gz HJZNUWVJILYWMC-UHFFFAOYSA-N 0 0 300.326 0.238 50 0 DCAARN Cc1nn(C)c2ncc(NC(=O)[C@H]3CCS(=O)(=O)C3)cc12 ZINC000048287326 183638618 /nfs/dbraw/zinc/63/86/18/183638618.db2.gz COBIDJFCSYGXIK-VIFPVBQESA-N 0 0 308.363 0.650 50 0 DCAARN C[C@H]1C[C@H]1C(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000106510868 194221846 /nfs/dbraw/zinc/22/18/46/194221846.db2.gz YFALIFYLIJQUGZ-IRCOFANPSA-N 0 0 304.412 0.198 50 0 DCAARN CC(=O)N[C@@H]1CCCN(C(=O)C[S@@](=O)[C@H](C)C(C)C)C1 ZINC000107523540 194255983 /nfs/dbraw/zinc/25/59/83/194255983.db2.gz RSJLQBQELXUNNA-YZRASEIHSA-N 0 0 302.440 0.907 50 0 DCAARN Cc1cc(C)n(C[C@@H]2CN(C(=O)Cc3cnn(C)c3)CCO2)n1 ZINC000110898551 194367706 /nfs/dbraw/zinc/36/77/06/194367706.db2.gz URFIRMYQZYBECG-HNNXBMFYSA-N 0 0 317.393 0.704 50 0 DCAARN C[C@@H]1CN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)CCO1 ZINC000054214929 183929569 /nfs/dbraw/zinc/92/95/69/183929569.db2.gz KQQLWWXZSLOTLZ-RPTYSRGTSA-N 0 0 304.346 0.811 50 0 DCAARN CCC[C@@H](C)c1nnc(NC(=O)CN2CC(=O)NC2=O)s1 ZINC000055252309 183974129 /nfs/dbraw/zinc/97/41/29/183974129.db2.gz FMVLOTYISKOUOW-SSDOTTSWSA-N 0 0 311.367 0.932 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)N1CCC[C@@H]1c1ccccn1 ZINC000055523658 183990071 /nfs/dbraw/zinc/99/00/71/183990071.db2.gz CMXVIIXIFIDZCK-CQSZACIVSA-N 0 0 323.418 0.476 50 0 DCAARN O=C(NCCn1nc2ccccn2c1=O)c1cccc2n[nH]cc21 ZINC000057240310 184030665 /nfs/dbraw/zinc/03/06/65/184030665.db2.gz YOBDLORFVRGLNS-UHFFFAOYSA-N 0 0 322.328 0.802 50 0 DCAARN Cn1nc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)ccc1=O ZINC000056923955 184021761 /nfs/dbraw/zinc/02/17/61/184021761.db2.gz YJCGOYCSOVIOKT-UHFFFAOYSA-N 0 0 309.329 0.896 50 0 DCAARN CCNC(=O)NC(=O)CNC1(c2noc(C)n2)CCCCC1 ZINC000058179652 184085027 /nfs/dbraw/zinc/08/50/27/184085027.db2.gz FCLAWPUOQTURQT-UHFFFAOYSA-N 0 0 309.370 0.973 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1Cc1ncc(C(C)(C)C)o1 ZINC000058202134 184087533 /nfs/dbraw/zinc/08/75/33/184087533.db2.gz BQABHDSEBOKBSV-JTQLQIEISA-N 0 0 309.366 0.836 50 0 DCAARN O=C(Cc1ccc(F)cc1)NCCNC(=O)c1ccc[nH]c1=O ZINC000058228652 184090987 /nfs/dbraw/zinc/09/09/87/184090987.db2.gz OUSGHBGJKSAZRW-UHFFFAOYSA-N 0 0 317.320 0.603 50 0 DCAARN O=C(CCNC(=O)OCC(F)(F)F)Nc1c[nH]ccc1=O ZINC000058281311 184099508 /nfs/dbraw/zinc/09/95/08/184099508.db2.gz XGXGCEXUSVXCDK-UHFFFAOYSA-N 0 0 307.228 0.992 50 0 DCAARN CNC(=O)NC(=O)CN1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000058289905 184100841 /nfs/dbraw/zinc/10/08/41/184100841.db2.gz QZILLXPABSVZGZ-LLVKDONJSA-N 0 0 312.414 0.315 50 0 DCAARN C[C@@H]1CCCN(C(=O)Cn2c(=O)onc2-c2ncccn2)C1 ZINC000058290068 184100918 /nfs/dbraw/zinc/10/09/18/184100918.db2.gz UJBJOPJQUPKBMK-SNVBAGLBSA-N 0 0 303.322 0.552 50 0 DCAARN C[C@@H]1CCCN(C(=O)COC(=O)CN(C)c2ncccn2)C1 ZINC000058761951 184128453 /nfs/dbraw/zinc/12/84/53/184128453.db2.gz PUCMSQIPTAYPRY-GFCCVEGCSA-N 0 0 306.366 0.715 50 0 DCAARN CN(C)[C@@H](CNC(=O)Cn1cnnn1)c1ccccc1Cl ZINC000061498679 184172024 /nfs/dbraw/zinc/17/20/24/184172024.db2.gz AYZVHSYKWGACLG-LBPRGKRZSA-N 0 0 308.773 0.746 50 0 DCAARN O=C(CNC(=O)c1ccc(Br)o1)N1CC[C@@H](O)C1 ZINC000061706334 184184494 /nfs/dbraw/zinc/18/44/94/184184494.db2.gz UDGHOHXGOXCAPK-SSDOTTSWSA-N 0 0 317.139 0.365 50 0 DCAARN O=C(NCCCN1CCOCC1)c1cc2c([nH]c1=O)CCC2 ZINC000061717984 184184979 /nfs/dbraw/zinc/18/49/79/184184979.db2.gz MRQAQFZMSICCFN-UHFFFAOYSA-N 0 0 305.378 0.316 50 0 DCAARN O=C(Cn1cnc2cc3c(cc21)OCCO3)N1CCOCC1 ZINC000064794777 184303369 /nfs/dbraw/zinc/30/33/69/184303369.db2.gz LTBUINDKOIURHX-UHFFFAOYSA-N 0 0 303.318 0.666 50 0 DCAARN CC(C)NC(=O)c1nc(Cn2cnc3ccccc3c2=O)no1 ZINC000064867896 184305449 /nfs/dbraw/zinc/30/54/49/184305449.db2.gz RJJXWMMUHZHFGZ-UHFFFAOYSA-N 0 0 313.317 0.966 50 0 DCAARN CCCn1c(=O)c2nscc2n(CC(=O)N[C@H](C)CC)c1=O ZINC000065184988 184314108 /nfs/dbraw/zinc/31/41/08/184314108.db2.gz KTXJSEUMCPWNQU-SECBINFHSA-N 0 0 324.406 0.944 50 0 DCAARN CNC(=O)[C@H]1CCc2nc(N3CCN(C(C)=O)CC3)sc2C1 ZINC000065273275 184320833 /nfs/dbraw/zinc/32/08/33/184320833.db2.gz MQIUATFBLXHLIK-NSHDSACASA-N 0 0 322.434 0.663 50 0 DCAARN O=C(c1ccccc1-n1cncn1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000065372678 184330539 /nfs/dbraw/zinc/33/05/39/184330539.db2.gz KKAGDDVJPCMITL-NEPJUHHUSA-N 0 0 311.345 0.760 50 0 DCAARN O=C(NCCc1cnc2ccccn12)c1cc2n(n1)CCNC2 ZINC000065380801 184331763 /nfs/dbraw/zinc/33/17/63/184331763.db2.gz SOFVSCXJZHTBQF-UHFFFAOYSA-N 0 0 310.361 0.607 50 0 DCAARN COC[C@H](O)CN(C)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000065440634 184345335 /nfs/dbraw/zinc/34/53/35/184345335.db2.gz IIWNIADVUXQMPL-CQSZACIVSA-N 0 0 322.409 0.831 50 0 DCAARN CC(C)CS(=O)(=O)CCC(=O)N[C@H]1CCc2nccn2C1 ZINC000065474094 184351596 /nfs/dbraw/zinc/35/15/96/184351596.db2.gz KXDYCQJAQXRKPR-LBPRGKRZSA-N 0 0 313.423 0.775 50 0 DCAARN COc1cc(CNC(=O)c2cnns2)ccc1OCC(N)=O ZINC000065475933 184352194 /nfs/dbraw/zinc/35/21/94/184352194.db2.gz XJNHWYZVDHUTPE-UHFFFAOYSA-N 0 0 322.346 0.341 50 0 DCAARN NC(=O)[C@@H]1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000065488650 184352866 /nfs/dbraw/zinc/35/28/66/184352866.db2.gz HMVCWTDSDDSOIA-LLVKDONJSA-N 0 0 320.374 0.368 50 0 DCAARN COc1ccc(NCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000065493254 184353998 /nfs/dbraw/zinc/35/39/98/184353998.db2.gz AQCYEGLXKYJNDQ-LLVKDONJSA-N 0 0 312.391 0.719 50 0 DCAARN Cc1ncncc1C(=O)NCCNC(=O)COc1ccccc1 ZINC000065530083 184361345 /nfs/dbraw/zinc/36/13/45/184361345.db2.gz VPLARTYKPUJKNE-UHFFFAOYSA-N 0 0 314.345 0.710 50 0 DCAARN O=C(Cn1ccc(C(F)(F)F)n1)N1CCCn2ncnc21 ZINC000065552194 184365176 /nfs/dbraw/zinc/36/51/76/184365176.db2.gz BHFDJMOWVXSCNZ-UHFFFAOYSA-N 0 0 300.244 0.930 50 0 DCAARN CN1CCO[C@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000065564611 184366647 /nfs/dbraw/zinc/36/66/47/184366647.db2.gz UCSNKRUNGWEIFU-GFCCVEGCSA-N 0 0 312.391 0.151 50 0 DCAARN Cc1nc(CN2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cs1 ZINC000065588484 184369511 /nfs/dbraw/zinc/36/95/11/184369511.db2.gz MAVTZUZTJFHIGU-LBPRGKRZSA-N 0 0 308.407 0.374 50 0 DCAARN NC(=O)CN(CC(N)=O)C(=O)c1cc(Cl)ccc1Cl ZINC000065591466 184369757 /nfs/dbraw/zinc/36/97/57/184369757.db2.gz CSPVRGVVSZGJFS-UHFFFAOYSA-N 0 0 304.133 0.406 50 0 DCAARN CC(=O)NCCCOC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000065517381 184358660 /nfs/dbraw/zinc/35/86/60/184358660.db2.gz HJRHJHGFQFLOHK-UHFFFAOYSA-N 0 0 323.740 0.999 50 0 DCAARN O=C(C1=NNC(=O)CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000065624703 184375240 /nfs/dbraw/zinc/37/52/40/184375240.db2.gz RHKQGDSPOGLAGU-CYBMUJFWSA-N 0 0 305.309 0.992 50 0 DCAARN Cc1cc(C)cc(OCCNC(=O)CN2C(=O)CNC2=O)c1 ZINC000065855066 184381366 /nfs/dbraw/zinc/38/13/66/184381366.db2.gz QTXICFUFBXHZDJ-UHFFFAOYSA-N 0 0 305.334 0.350 50 0 DCAARN COc1ccccc1/C(C)=C/C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000066643797 184420856 /nfs/dbraw/zinc/42/08/56/184420856.db2.gz SNWBVBZLTAVLEU-CFRMROPGSA-N 0 0 304.346 0.811 50 0 DCAARN Cn1nnnc1SCC1=NS(=O)(=O)c2ccccc2N1 ZINC000069413774 184512641 /nfs/dbraw/zinc/51/26/41/184512641.db2.gz HITBZDZSRMVCGC-UHFFFAOYSA-N 0 0 310.364 0.515 50 0 DCAARN O=c1cc(CN2CCN(c3ncccn3)CC2)nc2ccccn12 ZINC000069421107 184513931 /nfs/dbraw/zinc/51/39/31/184513931.db2.gz IEOIBXXWQJVTRU-UHFFFAOYSA-N 0 0 322.372 0.807 50 0 DCAARN Cc1cnn(C[C@H]2CN(CC(=O)Nc3cc(C)on3)CCO2)c1 ZINC000069445295 184515183 /nfs/dbraw/zinc/51/51/83/184515183.db2.gz DEHVBBFQFBCDLW-CYBMUJFWSA-N 0 0 319.365 0.827 50 0 DCAARN CCN(CC)S(=O)(=O)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000069484294 184518414 /nfs/dbraw/zinc/51/84/14/184518414.db2.gz NIPMOJUJACHAFX-NSHDSACASA-N 0 0 321.468 0.570 50 0 DCAARN CS(=O)(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000096005037 252591467 /nfs/dbraw/zinc/59/14/67/252591467.db2.gz SPNWPHDVEHUKNM-NSHDSACASA-N 0 0 310.441 0.272 50 0 DCAARN COCC(=O)NCCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000408516084 533063277 /nfs/dbraw/zinc/06/32/77/533063277.db2.gz MGIPWCCXEATWNE-UHFFFAOYSA-N 0 0 324.761 0.520 50 0 DCAARN COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)c1cnc2ccccc2n1 ZINC000065464702 291931625 /nfs/dbraw/zinc/93/16/25/291931625.db2.gz MFRHZXAWNXBTBB-IINYFYTJSA-N 0 0 315.329 0.768 50 0 DCAARN C[C@H](C(=O)[O-])[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000237583345 256600363 /nfs/dbraw/zinc/60/03/63/256600363.db2.gz HUZUPFURXAVDFW-MGPQQGTHSA-N 0 0 311.426 0.772 50 0 DCAARN CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1cnc[nH]c1=O ZINC000219888478 257274163 /nfs/dbraw/zinc/27/41/63/257274163.db2.gz VCSZSASQTVESRQ-CHWSQXEVSA-N 0 0 307.350 0.640 50 0 DCAARN COC(=O)C1(CNC(=O)c2cc(Br)n[nH]2)CC1 ZINC000521396248 257240021 /nfs/dbraw/zinc/24/00/21/257240021.db2.gz BWATVOPFVBKKHO-UHFFFAOYSA-N 0 0 302.128 0.855 50 0 DCAARN O=C(NCc1nnc(-c2ccccc2)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000426734570 257243239 /nfs/dbraw/zinc/24/32/39/257243239.db2.gz WNRFVONWBBIZGG-LLVKDONJSA-N 0 0 320.374 0.523 50 0 DCAARN Cc1nccn1[C@@H](C)C(=O)N1CCC2(CC1)CN(C)C(=O)CO2 ZINC000426677698 257244117 /nfs/dbraw/zinc/24/41/17/257244117.db2.gz PQOHEWZWUALTAA-LBPRGKRZSA-N 0 0 320.393 0.602 50 0 DCAARN O=C(NCc1cc2n(n1)CCN([C@@H]1CCOC1)C2)C1CCC1 ZINC000426697312 257244345 /nfs/dbraw/zinc/24/43/45/257244345.db2.gz IMWPJPNBGJKDSX-CQSZACIVSA-N 0 0 304.394 0.904 50 0 DCAARN CN1CCN(CC(=O)N[C@H]2CC(=O)Nc3ccccc32)C1=O ZINC000426612573 257244981 /nfs/dbraw/zinc/24/49/81/257244981.db2.gz HHDZFMDLUWIEEO-LBPRGKRZSA-N 0 0 302.334 0.554 50 0 DCAARN CC(C)c1nc(CNC(=O)N2C[C@H]3CC[C@@H](C2)NC3=O)no1 ZINC000426517597 257247384 /nfs/dbraw/zinc/24/73/84/257247384.db2.gz OYXQPNOMOFIJJW-ZJUUUORDSA-N 0 0 307.354 0.613 50 0 DCAARN CCc1nc(N2CCN(CCS(C)(=O)=O)CC2)ncc1C ZINC000426523554 257247463 /nfs/dbraw/zinc/24/74/63/257247463.db2.gz PKNHWUAOZKNEMG-UHFFFAOYSA-N 0 0 312.439 0.514 50 0 DCAARN CSc1nc(C(=O)NC[C@@H]2CN(C(C)=O)CCO2)cs1 ZINC000426533925 257247967 /nfs/dbraw/zinc/24/79/67/257247967.db2.gz XZHWZZZJINWZMM-SECBINFHSA-N 0 0 315.420 0.842 50 0 DCAARN CCOC1CCN(C(=O)c2cc3ncc(CCO)cn3n2)CC1 ZINC000426511498 257248320 /nfs/dbraw/zinc/24/83/20/257248320.db2.gz AMAUQKPITIEQRX-UHFFFAOYSA-N 0 0 318.377 0.905 50 0 DCAARN C[C@@H](C(=O)N1CC(Oc2ccccc2)C1)N1CCN(C)CC1 ZINC000426490595 257248659 /nfs/dbraw/zinc/24/86/59/257248659.db2.gz SDAQGXSBMMHBRE-AWEZNQCLSA-N 0 0 303.406 0.912 50 0 DCAARN Cc1nn(CCCNC(=O)[C@@H](C)N2CCN(C)CC2)c(C)c1C ZINC000426486179 257249311 /nfs/dbraw/zinc/24/93/11/257249311.db2.gz ODICVHXGMJHYSE-MRXNPFEDSA-N 0 0 321.469 0.951 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCN(C(=O)Cc2nc3ccccc3[nH]2)C1 ZINC000426484392 257249549 /nfs/dbraw/zinc/24/95/49/257249549.db2.gz DJRTWTUNFWDCGR-SNVBAGLBSA-N 0 0 322.390 0.242 50 0 DCAARN Cc1c[nH]c(CNC(=O)Cc2ccc(-n3nnnc3C)cc2)n1 ZINC000426465426 257250239 /nfs/dbraw/zinc/25/02/39/257250239.db2.gz HLDMRYYQHJVSTI-UHFFFAOYSA-N 0 0 311.349 0.861 50 0 DCAARN Cc1cncnc1C1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000426414800 257250969 /nfs/dbraw/zinc/25/09/69/257250969.db2.gz VBGUWIGAVRHWKS-ZDUSSCGKSA-N 0 0 323.418 0.926 50 0 DCAARN CN(Cc1ccc2nsnc2c1)C(=O)NCCOCCO ZINC000426370585 257253265 /nfs/dbraw/zinc/25/32/65/257253265.db2.gz RQGOJVIQSIABFZ-UHFFFAOYSA-N 0 0 310.379 0.842 50 0 DCAARN CSCC[C@@H](CO)NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000334160855 257262661 /nfs/dbraw/zinc/26/26/61/257262661.db2.gz NQHLQWGSCXHUPI-JTQLQIEISA-N 0 0 321.402 0.777 50 0 DCAARN COc1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1 ZINC000003227888 257267141 /nfs/dbraw/zinc/26/71/41/257267141.db2.gz APQNFFGHHMFEHF-UHFFFAOYSA-N 0 0 312.391 0.986 50 0 DCAARN CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc[nH]c2=O)cc1 ZINC000071819997 184852420 /nfs/dbraw/zinc/85/24/20/184852420.db2.gz VOPHSJHMWCOOKF-UHFFFAOYSA-N 0 0 320.370 0.850 50 0 DCAARN O=C(CCn1cncn1)N1CCCN(c2nccs2)CC1 ZINC000071830685 184859370 /nfs/dbraw/zinc/85/93/70/184859370.db2.gz JLVDRXTWLLPSAO-UHFFFAOYSA-N 0 0 306.395 0.864 50 0 DCAARN CC1(C)COCCN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000071830845 184859886 /nfs/dbraw/zinc/85/98/86/184859886.db2.gz ZRGNWSJPPONUAT-UHFFFAOYSA-N 0 0 301.350 0.842 50 0 DCAARN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000071915360 184904153 /nfs/dbraw/zinc/90/41/53/184904153.db2.gz SWWQIGPUFZMOQQ-BXUZGUMPSA-N 0 0 321.377 0.771 50 0 DCAARN Cn1ncc(Br)c1CN1C[C@H](F)C[C@H]1C(N)=O ZINC000284712559 131106678 /nfs/dbraw/zinc/10/66/78/131106678.db2.gz RPTOQJUOXWNTEU-SVRRBLITSA-N 0 0 305.151 0.580 50 0 DCAARN Cn1ncc2c1ncnc2N1CCN(C(=O)c2ccco2)CC1 ZINC000012484866 134507088 /nfs/dbraw/zinc/50/70/88/134507088.db2.gz SNIQXNRHMRUKKA-UHFFFAOYSA-N 0 0 312.333 0.919 50 0 DCAARN COC[C@H](C)NC(=O)NC(=O)CN1CCOc2ccccc21 ZINC000026200031 134664623 /nfs/dbraw/zinc/66/46/23/134664623.db2.gz YFVISNHOSSPXLE-NSHDSACASA-N 0 0 307.350 0.746 50 0 DCAARN CC(C)CNC(=O)[C@H]1CCCN(c2ccc3nnnn3n2)C1 ZINC000052100529 134764423 /nfs/dbraw/zinc/76/44/23/134764423.db2.gz SYLWRZZZUHANGH-NSHDSACASA-N 0 0 303.370 0.508 50 0 DCAARN O=C(Cn1nnnc1-c1ccc(Cl)cc1)N1CCOCC1 ZINC000008297405 395684395 /nfs/dbraw/zinc/68/43/95/395684395.db2.gz ISUBBPISXVWSEF-UHFFFAOYSA-N 0 0 307.741 0.852 50 0 DCAARN CCOc1ccc(CN(C)C(=O)Cn2cnnn2)cc1OC ZINC000008327643 395684462 /nfs/dbraw/zinc/68/44/62/395684462.db2.gz QPLKSEICMOLRIC-UHFFFAOYSA-N 0 0 305.338 0.739 50 0 DCAARN NC(=O)C1CCN(CC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000008388758 395684512 /nfs/dbraw/zinc/68/45/12/395684512.db2.gz KSERKBZKTWYYLD-UHFFFAOYSA-N 0 0 318.377 0.210 50 0 DCAARN Cn1nnnc1Sc1ccc2nnc(C(F)(F)F)n2n1 ZINC000008923530 395684980 /nfs/dbraw/zinc/68/49/80/395684980.db2.gz VWLXFSOKRGSTJW-UHFFFAOYSA-N 0 0 302.245 0.818 50 0 DCAARN Cc1nc(SCCO)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000009154200 395685149 /nfs/dbraw/zinc/68/51/49/395685149.db2.gz PRZVJIRONNSYMJ-UHFFFAOYSA-N 0 0 324.406 0.539 50 0 DCAARN COc1ccc(OC)c([C@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1 ZINC000009108958 395685207 /nfs/dbraw/zinc/68/52/07/395685207.db2.gz VYSBRYKWYRKNSW-SECBINFHSA-N 0 0 316.317 0.843 50 0 DCAARN COCCCNC(=O)CCNC(=O)c1cc(OC)cc(OC)c1 ZINC000009340089 395685342 /nfs/dbraw/zinc/68/53/42/395685342.db2.gz IXAWPSKSJSVIFJ-UHFFFAOYSA-N 0 0 324.377 0.976 50 0 biogenic DCAARN COc1ccccc1N1C[C@@H](C(=O)NN2CCOCC2)CC1=O ZINC000009516218 395685489 /nfs/dbraw/zinc/68/54/89/395685489.db2.gz PRLUHBCLCYJMIC-LBPRGKRZSA-N 0 0 319.361 0.412 50 0 DCAARN CCCCCn1c(=O)c2c(nc3n2CC(C)N=N3)n(C)c1=O ZINC000010331735 395686046 /nfs/dbraw/zinc/68/60/46/395686046.db2.gz HSFUTZMQVRSRCT-UHFFFAOYSA-N 0 0 304.354 0.888 50 0 DCAARN CNC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O ZINC000010752462 395686171 /nfs/dbraw/zinc/68/61/71/395686171.db2.gz SJQSRFCPJRZVGE-UHFFFAOYSA-N 0 0 305.334 0.940 50 0 DCAARN C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCO1 ZINC000011495344 395686652 /nfs/dbraw/zinc/68/66/52/395686652.db2.gz XBLQMXQQMWBOOK-NSHDSACASA-N 0 0 312.391 0.798 50 0 DCAARN O=C(Cn1cnc2ccccc21)NCCCN1CCOCC1 ZINC000012362949 395687379 /nfs/dbraw/zinc/68/73/79/395687379.db2.gz HXZZKTRUJKHCJT-UHFFFAOYSA-N 0 0 302.378 0.875 50 0 DCAARN COc1ccc(CN(C)C(=O)CN2C(=O)CN(C)C2=O)cc1F ZINC000012798533 395688042 /nfs/dbraw/zinc/68/80/42/395688042.db2.gz OOQGTLIZOZORRN-UHFFFAOYSA-N 0 0 323.324 0.687 50 0 DCAARN Nc1c(C(=O)CNc2ccc(F)cc2)c(=O)[nH]c(=O)n1C1CC1 ZINC000012903267 395688174 /nfs/dbraw/zinc/68/81/74/395688174.db2.gz VLFNIOOBZWCCKR-UHFFFAOYSA-N 0 0 318.308 0.888 50 0 DCAARN Cc1cc(S(=O)(=O)N2CCN(CCO)CC2)ccc1Cl ZINC000012869823 395688197 /nfs/dbraw/zinc/68/81/97/395688197.db2.gz YMMJZXOKDCDTHI-UHFFFAOYSA-N 0 0 318.826 0.947 50 0 DCAARN COc1cccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000012998054 395688248 /nfs/dbraw/zinc/68/82/48/395688248.db2.gz AHKQPTKAFSAUJN-UHFFFAOYSA-N 0 0 317.389 0.732 50 0 DCAARN CC(C)(CNC(=O)CNC(=O)c1ccco1)N1CCOCC1 ZINC000012973716 395688318 /nfs/dbraw/zinc/68/83/18/395688318.db2.gz ZMCZGKUJKLXENV-UHFFFAOYSA-N 0 0 309.366 0.236 50 0 DCAARN NC(=O)[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000012985507 395688356 /nfs/dbraw/zinc/68/83/56/395688356.db2.gz WJNVPTHUKZBECL-SSDOTTSWSA-N 0 0 314.271 0.845 50 0 DCAARN CCN(CC)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 ZINC000014013990 395688932 /nfs/dbraw/zinc/68/89/32/395688932.db2.gz XQQGTLABALZREC-UHFFFAOYSA-N 0 0 309.391 0.984 50 0 DCAARN CCn1nnnc1S[C@H](C)C(=O)Nc1ncnc2[nH]cnc21 ZINC000014197395 395689319 /nfs/dbraw/zinc/68/93/19/395689319.db2.gz APBRZEDZHBHADF-ZCFIWIBFSA-N 0 0 319.354 0.479 50 0 DCAARN Cc1ccc(CNC(=O)Cn2nnnc2CN2CCCC2)s1 ZINC000014974972 395689720 /nfs/dbraw/zinc/68/97/20/395689720.db2.gz KLHQSAKMAOKYNO-UHFFFAOYSA-N 0 0 320.422 0.955 50 0 DCAARN COC(=O)CNC[C@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000015071093 395689806 /nfs/dbraw/zinc/68/98/06/395689806.db2.gz NMWGSPUAFLNWFV-MRXNPFEDSA-N 0 0 312.410 0.683 50 0 DCAARN O=C1[C@H]2Cc3ccccc3CN2C(=O)N1[C@H]1CCS(=O)(=O)C1 ZINC000016031209 395690194 /nfs/dbraw/zinc/69/01/94/395690194.db2.gz WPKUKLQILSUIFX-QWHCGFSZSA-N 0 0 320.370 0.563 50 0 DCAARN CCCn1c(N)c(C(=O)CN2CCCC[C@@H]2CC)c(=O)[nH]c1=O ZINC000016445006 395690450 /nfs/dbraw/zinc/69/04/50/395690450.db2.gz VNBVGVBBNKBTJP-NSHDSACASA-N 0 0 322.409 0.976 50 0 DCAARN CCN1CCN(C(=O)CN2c3cc(C)ccc3OCC2=O)CC1 ZINC000020136421 395691188 /nfs/dbraw/zinc/69/11/88/395691188.db2.gz MBJKZZSMSJAMPG-UHFFFAOYSA-N 0 0 317.389 0.885 50 0 DCAARN Nc1ncnc2nc(N3CCN(C(=O)c4ccccc4)CC3)[nH]c21 ZINC000000052490 395679620 /nfs/dbraw/zinc/67/96/20/395679620.db2.gz DWBXVUDEDOEGOA-UHFFFAOYSA-N 0 0 323.360 0.898 50 0 DCAARN COc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=CNN32)c(OC)c1 ZINC000000071350 395679737 /nfs/dbraw/zinc/67/97/37/395679737.db2.gz QUFOPKDTRXTAEX-CYBMUJFWSA-N 0 0 315.333 0.722 50 0 DCAARN CCn1nc(-c2ccc(OC)cc2)nc2c(=O)n(C)c(=O)nc1-2 ZINC000000488333 395680388 /nfs/dbraw/zinc/68/03/88/395680388.db2.gz OYEOXFZRVNDRKZ-UHFFFAOYSA-N 0 0 313.317 0.532 50 0 biogenic DCAARN CN(C)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000000582530 395680597 /nfs/dbraw/zinc/68/05/97/395680597.db2.gz ASECUWZPJVHMRL-UHFFFAOYSA-N 0 0 300.336 0.270 50 0 DCAARN CCNc1nc(N)nc(Oc2ccc(OCC(=O)OC)nn2)n1 ZINC000001068927 395680634 /nfs/dbraw/zinc/68/06/34/395680634.db2.gz YPHGNMMBGNTPPZ-UHFFFAOYSA-N 0 0 321.297 0.020 50 0 DCAARN CC(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)NCCCO ZINC000001825536 395681094 /nfs/dbraw/zinc/68/10/94/395681094.db2.gz WSVWQNDMMHIFHC-KPKJPENVSA-N 0 0 306.318 0.391 50 0 aggregator DCAARN Cn1nnnc1SCC(=O)Nc1cccc2nsnc21 ZINC000002430303 395681559 /nfs/dbraw/zinc/68/15/59/395681559.db2.gz SFNFIDVNGAQHOY-UHFFFAOYSA-N 0 0 307.364 0.946 50 0 DCAARN C[C@H]1SCC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000002711164 395681801 /nfs/dbraw/zinc/68/18/01/395681801.db2.gz RZXWZGOKWLJYFR-MRVPVSSYSA-N 0 0 322.342 0.844 50 0 DCAARN Cc1nn(C)cc1/C=C1\NC(=S)N(C[C@@H]2CCCO2)C1=O ZINC000002770928 395681841 /nfs/dbraw/zinc/68/18/41/395681841.db2.gz DPWZCPNQNDGIEZ-RMCZBGCRSA-N 0 0 306.391 0.965 50 0 DCAARN COCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003005081 395682040 /nfs/dbraw/zinc/68/20/40/395682040.db2.gz UWHRHYIMTARVLU-UHFFFAOYSA-N 0 0 320.798 0.723 50 0 DCAARN CCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000002883075 395682076 /nfs/dbraw/zinc/68/20/76/395682076.db2.gz BEZNPQAFPOCOKF-UHFFFAOYSA-N 0 0 314.363 0.708 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCOC(C)C)C1 ZINC000003007859 395682142 /nfs/dbraw/zinc/68/21/42/395682142.db2.gz XNZBIXFXAVQTFP-CYBMUJFWSA-N 0 0 320.455 0.979 50 0 DCAARN COC(=O)[C@H](NC=O)[C@](O)(Cc1ccccc1)C(F)(F)F ZINC000003102126 395682332 /nfs/dbraw/zinc/68/23/32/395682332.db2.gz ABMFGIMJEWDYRN-CMPLNLGQSA-N 0 0 305.252 0.810 50 0 DCAARN COc1nc(N=NCc2ccco2)nc(N2CCOCC2)n1 ZINC000004199549 395682525 /nfs/dbraw/zinc/68/25/25/395682525.db2.gz TVUNIJIHOZHNOV-UHFFFAOYSA-N 0 0 304.310 0.756 50 0 DCAARN COCC(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 ZINC000005077935 395682627 /nfs/dbraw/zinc/68/26/27/395682627.db2.gz AXFBUYOBICYNIG-UHFFFAOYSA-N 0 0 321.358 0.886 50 0 DCAARN NC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1cccc(F)c1 ZINC000008065797 395683810 /nfs/dbraw/zinc/68/38/10/395683810.db2.gz KRUVOLOTVWFVPP-GFCCVEGCSA-N 0 0 308.309 0.849 50 0 DCAARN Cc1nn(C)c2nc(C)c(C(=O)N[C@H]3CCS(=O)(=O)C3)cc12 ZINC000029793562 395699905 /nfs/dbraw/zinc/69/99/05/395699905.db2.gz QRTBJXWUSQJOPT-JTQLQIEISA-N 0 0 322.390 0.502 50 0 DCAARN O=S(=O)(c1cccnc1)N1CCN(Cc2ccccn2)CC1 ZINC000029820394 395700061 /nfs/dbraw/zinc/70/00/61/395700061.db2.gz TVMUQIJTFSDEIG-UHFFFAOYSA-N 0 0 318.402 0.983 50 0 DCAARN COc1cccc(S(=O)(=O)N2CCN(C[C@@H](C)O)CC2)c1 ZINC000085467185 395700812 /nfs/dbraw/zinc/70/08/12/395700812.db2.gz JCKROANHKFFWGA-GFCCVEGCSA-N 0 0 314.407 0.382 50 0 DCAARN COc1ccc(CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CO)C2)cc1OC ZINC000085469000 395701089 /nfs/dbraw/zinc/70/10/89/395701089.db2.gz XWIMUYQFZPMMGW-FRRDWIJNSA-N 0 0 309.362 0.494 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(N2CCCC2)nc1 ZINC000029983107 395701502 /nfs/dbraw/zinc/70/15/02/395701502.db2.gz ITAPDMUQNHGPIE-UHFFFAOYSA-N 0 0 315.333 0.171 50 0 DCAARN CC(=O)NCCNC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000030018376 395701570 /nfs/dbraw/zinc/70/15/70/395701570.db2.gz YBNKUJMIZDCTQL-TXEJJXNPSA-N 0 0 320.393 0.561 50 0 DCAARN CC(=O)NCCNC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000030018377 395701575 /nfs/dbraw/zinc/70/15/75/395701575.db2.gz YBNKUJMIZDCTQL-RYUDHWBXSA-N 0 0 320.393 0.561 50 0 DCAARN COc1cccc(N2CCN(C(=O)[C@H]3COCCO3)CC2)c1 ZINC000030884152 395704783 /nfs/dbraw/zinc/70/47/83/395704783.db2.gz XRLDKLKNBGGQOI-OAHLLOKOSA-N 0 0 306.362 0.759 50 0 DCAARN CN(C(=O)NC[C@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 ZINC000089335163 395710151 /nfs/dbraw/zinc/71/01/51/395710151.db2.gz VKVGFNVBWCOXPM-QWHCGFSZSA-N 0 0 324.402 0.819 50 0 DCAARN C[C@H]1C[C@H]1CNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000032383545 395710690 /nfs/dbraw/zinc/71/06/90/395710690.db2.gz BUNRFIDJSJSPNW-QWRGUYRKSA-N 0 0 301.346 0.852 50 0 DCAARN C[C@@H](C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)n1cccn1 ZINC000089420085 395711229 /nfs/dbraw/zinc/71/12/29/395711229.db2.gz COXKRJHUSVJLAN-RYUDHWBXSA-N 0 0 314.411 0.232 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)OC(=O)C2=NN(C)C(=O)CC2)no1 ZINC000032623329 395711515 /nfs/dbraw/zinc/71/15/15/395711515.db2.gz NWTROAHUALTDPV-MRVPVSSYSA-N 0 0 308.294 0.461 50 0 DCAARN C[C@@H](Cn1cc(Cl)cn1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000032648209 395711884 /nfs/dbraw/zinc/71/18/84/395711884.db2.gz HDESSUVVRQEBFX-WCBMZHEXSA-N 0 0 305.787 0.476 50 0 DCAARN Cc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)cc1 ZINC000032689092 395712289 /nfs/dbraw/zinc/71/22/89/395712289.db2.gz ZWZYZITWNLBEIK-UHFFFAOYSA-N 0 0 301.302 0.887 50 0 DCAARN Cc1ccc(OCCNC(=O)CC[C@@H]2NC(=O)NC2=O)c(C)c1 ZINC000032748224 395712706 /nfs/dbraw/zinc/71/27/06/395712706.db2.gz ISCKZLLKZXQWOU-LBPRGKRZSA-N 0 0 319.361 0.787 50 0 DCAARN CC(=O)N1CCN([C@@H]2CN(Cc3nc(C)no3)C[C@H]2C)CC1 ZINC000089721140 395714392 /nfs/dbraw/zinc/71/43/92/395714392.db2.gz DQIRDMDKSXSZAP-BXUZGUMPSA-N 0 0 307.398 0.362 50 0 DCAARN Cn1ncc2c1ncnc2N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000032923718 395714574 /nfs/dbraw/zinc/71/45/74/395714574.db2.gz WCECAMDQJUVDOQ-SNVBAGLBSA-N 0 0 324.410 0.129 50 0 DCAARN COc1ccc(CNC(=O)Cc2c(C)nc(C)[nH]c2=O)cn1 ZINC000032923887 395714856 /nfs/dbraw/zinc/71/48/56/395714856.db2.gz PJZIRYBKBVAUPU-UHFFFAOYSA-N 0 0 302.334 0.649 50 0 DCAARN CNC(=O)[C@H](C)N1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000032936340 395715200 /nfs/dbraw/zinc/71/52/00/395715200.db2.gz JHUCNIORUKMPSQ-AYVTZFPOSA-N 0 0 319.317 0.317 50 0 DCAARN O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)NC1CCCCC1 ZINC000089818442 395715423 /nfs/dbraw/zinc/71/54/23/395715423.db2.gz IWSTXNNTAFVAPC-BONVTDFDSA-N 0 0 308.382 0.997 50 0 DCAARN CC(C)N1C(=O)N[C@@]2(CCN(CC(=O)N(C)C3CC3)C2)C1=O ZINC000089869828 395715841 /nfs/dbraw/zinc/71/58/41/395715841.db2.gz NGVSYYXVHZTJBV-OAHLLOKOSA-N 0 0 308.382 0.012 50 0 DCAARN Cc1ccc(C(=O)NCC(=O)N2CCC(C(N)=O)CC2)s1 ZINC000033028057 395716198 /nfs/dbraw/zinc/71/61/98/395716198.db2.gz FEGDHMRGMWUPTA-UHFFFAOYSA-N 0 0 309.391 0.510 50 0 DCAARN CC1(C)C[C@H](NC(=O)Nc2ccc3c(c2)C(=O)NC3=O)C(=O)O1 ZINC000089917867 395716471 /nfs/dbraw/zinc/71/64/71/395716471.db2.gz DWWGHAAJJWNGBZ-JTQLQIEISA-N 0 0 317.301 0.786 50 0 DCAARN C[C@H]1CN(C)CCN1C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000089938527 395716970 /nfs/dbraw/zinc/71/69/70/395716970.db2.gz WTNUODSZEGONNW-LBPRGKRZSA-N 0 0 302.378 0.992 50 0 DCAARN CC[C@@H](NC(=O)[C@@H]1CNC(=O)N1)c1ccc2c(c1)OCCO2 ZINC000089947845 395717917 /nfs/dbraw/zinc/71/79/17/395717917.db2.gz MRMSVLDIPOHLFQ-MNOVXSKESA-N 0 0 305.334 0.707 50 0 DCAARN COc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1C ZINC000035800829 395721760 /nfs/dbraw/zinc/72/17/60/395721760.db2.gz VPKBMQSHWBVEBE-UHFFFAOYSA-N 0 0 314.407 0.948 50 0 DCAARN CC(=O)Nc1nnc(S(=O)(=O)N2CCC[C@H](C)C2)s1 ZINC000036182741 395722305 /nfs/dbraw/zinc/72/23/05/395722305.db2.gz FFYBJGXPAZAJSH-ZETCQYMHSA-N 0 0 304.397 0.917 50 0 DCAARN C[C@H]1CN(CCOc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000028125599 395695847 /nfs/dbraw/zinc/69/58/47/395695847.db2.gz BJDOFLPSOXXUDK-NSHDSACASA-N 0 0 300.380 0.434 50 0 DCAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccn(C)c(=O)c1 ZINC000028481947 395696068 /nfs/dbraw/zinc/69/60/68/395696068.db2.gz ZVVSBCYZOUYDTD-UHFFFAOYSA-N 0 0 324.340 0.894 50 0 DCAARN O=C(CN1CCN(C[C@H](O)c2cccs2)CC1)NC1CC1 ZINC000028914657 395696365 /nfs/dbraw/zinc/69/63/65/395696365.db2.gz GEOMXXBHHCQUML-ZDUSSCGKSA-N 0 0 309.435 0.678 50 0 DCAARN CN(C[C@H]1CN(CCc2cnn(C)c2)CCO1)c1cccnn1 ZINC000084318374 395697453 /nfs/dbraw/zinc/69/74/53/395697453.db2.gz AUZYXJMAAQBPRB-HNNXBMFYSA-N 0 0 316.409 0.590 50 0 DCAARN COC(=O)CNC(=O)[C@@H](C)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000029659041 395699112 /nfs/dbraw/zinc/69/91/12/395699112.db2.gz QBDAAHTXUQKVCH-BXUZGUMPSA-N 0 0 324.352 0.877 50 0 DCAARN CCN1C(=O)N[C@@](C)([C@H]2CCCN(Cc3nc(C)no3)C2)C1=O ZINC000095402601 395740495 /nfs/dbraw/zinc/74/04/95/395740495.db2.gz RVSYQCZIHRHXAU-NHYWBVRUSA-N 0 0 321.381 0.920 50 0 DCAARN C[C@@]1(O)CCN(C(=O)c2cnc3ccc(F)cc3c2O)C[C@@H]1O ZINC000096159664 395746657 /nfs/dbraw/zinc/74/66/57/395746657.db2.gz PGFLVLLBIMQBIN-XJKSGUPXSA-N 0 0 320.320 0.625 50 0 DCAARN O=C(Cn1cccnc1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000042016224 395741376 /nfs/dbraw/zinc/74/13/76/395741376.db2.gz APJIXGRCGARBSK-UHFFFAOYSA-N 0 0 316.336 0.731 50 0 DCAARN CSc1ccc([C@@H](O)CNC(=O)CN2C(=O)CCC2=O)cc1 ZINC000096103055 395744412 /nfs/dbraw/zinc/74/44/12/395744412.db2.gz GUYACTSBQCKQSU-LBPRGKRZSA-N 0 0 322.386 0.707 50 0 DCAARN Cc1nnnn1CCC(=O)N1CCC[C@](CO)(CC2CC2)C1 ZINC000096148732 395746157 /nfs/dbraw/zinc/74/61/57/395746157.db2.gz XLCSIWCRDYPRCA-HNNXBMFYSA-N 0 0 307.398 0.773 50 0 DCAARN O=C1CCCN1CCCc1nc(-c2ccncc2)nn1CCO ZINC000096138858 395746241 /nfs/dbraw/zinc/74/62/41/395746241.db2.gz QIKRDVIOJDYHMC-UHFFFAOYSA-N 0 0 315.377 0.887 50 0 DCAARN Cc1nn(C)c2nc(N3C[C@@H]4C(=O)N(C)C(=O)[C@@H]4C3)sc12 ZINC000096141444 395746333 /nfs/dbraw/zinc/74/63/33/395746333.db2.gz GLJUTAXPSKLBTD-OCAPTIKFSA-N 0 0 305.363 0.389 50 0 DCAARN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC000096409332 395752881 /nfs/dbraw/zinc/75/28/81/395752881.db2.gz NOYHHVLRXLWABI-ZDUSSCGKSA-N 0 0 318.356 0.906 50 0 DCAARN NC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(F)c1F ZINC000096428527 395753536 /nfs/dbraw/zinc/75/35/36/395753536.db2.gz QCKFYONHOTZIEV-CBAPKCEASA-N 0 0 304.318 0.897 50 0 DCAARN CCN(CCO)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000097177157 395754975 /nfs/dbraw/zinc/75/49/75/395754975.db2.gz FTQINVKNRMRVNS-ZDUSSCGKSA-N 0 0 322.340 0.087 50 0 DCAARN CCc1nnc2n1C[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)CC2 ZINC000097199206 395755503 /nfs/dbraw/zinc/75/55/03/395755503.db2.gz UGXGQEPIAFGBCA-RYUDHWBXSA-N 0 0 305.382 0.282 50 0 DCAARN CCc1nnc2n1C[C@@H](NC(=O)CCOC[C@H]1CCCO1)CC2 ZINC000097198678 395755673 /nfs/dbraw/zinc/75/56/73/395755673.db2.gz MMTVTTAMLDRLHA-QWHCGFSZSA-N 0 0 322.409 0.857 50 0 DCAARN O=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@H]1CCOC1 ZINC000097272471 395756450 /nfs/dbraw/zinc/75/64/50/395756450.db2.gz SFNPKXTZTNZURD-JTQLQIEISA-N 0 0 301.339 0.752 50 0 DCAARN O=C(c1ccc(=O)[nH]c1)N1CCN(c2ncc(Cl)cn2)CC1 ZINC000097233414 395756551 /nfs/dbraw/zinc/75/65/51/395756551.db2.gz LWRVYTPCKLFMBJ-UHFFFAOYSA-N 0 0 319.752 0.781 50 0 DCAARN O=C(CNS(=O)(=O)Cc1ccon1)NC1CCCCC1 ZINC000097598669 395759064 /nfs/dbraw/zinc/75/90/64/395759064.db2.gz UATVGIYZAQXADT-UHFFFAOYSA-N 0 0 301.368 0.543 50 0 DCAARN Cn1ccn2ncc(C(=O)NCc3cn4c(n3)SCC4)c12 ZINC000097637871 395760031 /nfs/dbraw/zinc/76/00/31/395760031.db2.gz PIAGQSLALOPDMF-UHFFFAOYSA-N 0 0 302.363 0.905 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)c1cccnc1N1CCOCC1 ZINC000044951846 395760308 /nfs/dbraw/zinc/76/03/08/395760308.db2.gz RIMPKAZOUKQQEI-ZDUSSCGKSA-N 0 0 315.377 0.933 50 0 DCAARN Cc1ccc([C@@H](C)CCN2CCN(S(N)(=O)=O)CC2)o1 ZINC000097797779 395760780 /nfs/dbraw/zinc/76/07/80/395760780.db2.gz XDGCBWDNWUYMFG-NSHDSACASA-N 0 0 301.412 0.903 50 0 DCAARN CCS(=O)(=O)CCNC(=O)c1cnc(-c2ccncc2)nc1 ZINC000097823577 395761097 /nfs/dbraw/zinc/76/10/97/395761097.db2.gz ZSFIXXXMEDPTQF-UHFFFAOYSA-N 0 0 320.374 0.703 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)Nc1nnc(-c2ccco2)s1 ZINC000097915163 395761130 /nfs/dbraw/zinc/76/11/30/395761130.db2.gz DUZCNYFSFMKABU-RXMQYKEDSA-N 0 0 307.291 0.335 50 0 DCAARN Cc1ccc(/C=C\C(=O)NC[C@H](Cc2cnn(C)c2)C(N)=O)o1 ZINC000098053186 395761680 /nfs/dbraw/zinc/76/16/80/395761680.db2.gz TVUVRYCIRJZSFZ-SZZPACECSA-N 0 0 316.361 0.795 50 0 DCAARN COc1ccc(S(=O)(=O)c2c[nH]c3ncnn3c2=O)cc1 ZINC000100025376 395762085 /nfs/dbraw/zinc/76/20/85/395762085.db2.gz XNMNWLOGLXXKGL-UHFFFAOYSA-N 0 0 306.303 0.259 50 0 DCAARN COc1cccc(N2C(=O)C[C@H](N3CCN(C)CC3)C2=O)c1 ZINC000100044151 395762330 /nfs/dbraw/zinc/76/23/30/395762330.db2.gz NHUYKXDRQRAKRB-AWEZNQCLSA-N 0 0 303.362 0.575 50 0 DCAARN O=c1c2ccccc2nnn1C[C@H](O)COCc1ccco1 ZINC000045618554 395764145 /nfs/dbraw/zinc/76/41/45/395764145.db2.gz GHSQAGJYFFFWEK-NSHDSACASA-N 0 0 301.302 0.962 50 0 DCAARN Cc1nc(N2CCOCC2)ncc1-c1cc(=O)n2nc[nH]c2n1 ZINC000101450479 395764794 /nfs/dbraw/zinc/76/47/94/395764794.db2.gz OSQGEVOYJQYYBF-UHFFFAOYSA-N 0 0 313.321 0.020 50 0 DCAARN CC(C)CNC(=O)CNc1c(=O)c(=O)c1NCc1ccncc1 ZINC000101698217 395767275 /nfs/dbraw/zinc/76/72/75/395767275.db2.gz WVUBOFMZPIOUCB-UHFFFAOYSA-N 0 0 316.361 0.474 50 0 DCAARN Cc1cccc(OCCNC(=O)CN(C)S(C)(=O)=O)c1 ZINC000046042228 395770220 /nfs/dbraw/zinc/77/02/20/395770220.db2.gz DSLRDZLPCVHATK-UHFFFAOYSA-N 0 0 300.380 0.381 50 0 DCAARN COC(=O)c1ccc(CNC(=O)CN2[C@@H]3CC[C@H]2C[C@@H](O)C3)o1 ZINC000102526265 395770492 /nfs/dbraw/zinc/77/04/92/395770492.db2.gz HAFXRGPNDYLDQF-GDNZZTSVSA-N 0 0 322.361 0.670 50 0 DCAARN CC(C)c1nc(CN(C)C(=O)c2c[nH]c3ncnn3c2=O)no1 ZINC000102707014 395771336 /nfs/dbraw/zinc/77/13/36/395771336.db2.gz LVOCNLDXPBLIBE-UHFFFAOYSA-N 0 0 317.309 0.196 50 0 DCAARN CN1C[C@@H](C(=O)N2CCN(Cc3cccs3)CC2)CC1=O ZINC000046164577 395771509 /nfs/dbraw/zinc/77/15/09/395771509.db2.gz WLUGMCFVFPGZNV-LBPRGKRZSA-N 0 0 307.419 0.871 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)Nc2ccc(OC)nc2)CC1 ZINC000048286092 395812604 /nfs/dbraw/zinc/81/26/04/395812604.db2.gz HQLJOWKXWMBLRB-UHFFFAOYSA-N 0 0 321.381 0.422 50 0 DCAARN Cc1cc(CN2CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC2)on1 ZINC000048342071 395814172 /nfs/dbraw/zinc/81/41/72/395814172.db2.gz BSAIHDUNPDNPKF-LLVKDONJSA-N 0 0 315.395 0.060 50 0 DCAARN CS(=O)(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000049334443 395831056 /nfs/dbraw/zinc/83/10/56/395831056.db2.gz GNPLDCAPEYHJCO-ZDUSSCGKSA-N 0 0 302.371 0.748 50 0 DCAARN COc1ccccc1CNC(=O)Cn1c(N)nc(C)c(C)c1=O ZINC000049411031 395832105 /nfs/dbraw/zinc/83/21/05/395832105.db2.gz WBKMBFKIPSAZJR-UHFFFAOYSA-N 0 0 316.361 0.767 50 0 DCAARN CN(C)c1ccc(O[C@@H]2CCN(C(=O)c3ncccn3)C2)nn1 ZINC000225449016 395860268 /nfs/dbraw/zinc/86/02/68/395860268.db2.gz XQWJJZJUDIFVPH-LLVKDONJSA-N 0 0 314.349 0.626 50 0 DCAARN O=C(CN1CCOC1=O)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000217835701 395840340 /nfs/dbraw/zinc/84/03/40/395840340.db2.gz PPPMGUWRTAZODW-UHFFFAOYSA-N 0 0 300.318 0.941 50 0 DCAARN Cc1nc2c(c(=O)n1C)CN(C(=O)COC[C@@H]1CCCO1)C2 ZINC000219420799 395845324 /nfs/dbraw/zinc/84/53/24/395845324.db2.gz DJVNKVMVNNUWJB-NSHDSACASA-N 0 0 307.350 0.127 50 0 DCAARN O=C(CCn1cncn1)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000220345062 395848069 /nfs/dbraw/zinc/84/80/69/395848069.db2.gz FTANHMBYXWHLDN-HUBLWGQQSA-N 0 0 301.350 0.692 50 0 DCAARN COC[C@@H](NC(=O)c1nnc2nc(C)ccn21)c1ccnn1C ZINC000220390163 395848499 /nfs/dbraw/zinc/84/84/99/395848499.db2.gz TZSOKLDPNKNROA-SNVBAGLBSA-N 0 0 315.337 0.284 50 0 DCAARN COc1cccc(OCC(=O)N2CCC[C@@](O)(CO)CC2)c1 ZINC000221405642 395851246 /nfs/dbraw/zinc/85/12/46/395851246.db2.gz PUHPXJWEOHGLIG-INIZCTEOSA-N 0 0 309.362 0.810 50 0 DCAARN Cc1cc(=O)[nH]c(NCCNC(=O)CCc2cccnc2)n1 ZINC000222942373 395853422 /nfs/dbraw/zinc/85/34/22/395853422.db2.gz PGSGHGWEWBMSGI-UHFFFAOYSA-N 0 0 301.350 0.634 50 0 DCAARN Cc1nnc([C@@H]2CCCN2C(=O)Cn2c(C)cc(C)nc2=O)[nH]1 ZINC000222961665 395853623 /nfs/dbraw/zinc/85/36/23/395853623.db2.gz DLDCDOXXDIYZHQ-LBPRGKRZSA-N 0 0 316.365 0.650 50 0 DCAARN Cc1cc(CNC(=O)CN2C(=O)NC(C)(C)C2=O)cc(C)n1 ZINC000223136531 395853937 /nfs/dbraw/zinc/85/39/37/395853937.db2.gz SRCVAJAUDHZMSC-UHFFFAOYSA-N 0 0 304.350 0.645 50 0 DCAARN CCc1cc(N2CCN(C(=O)[C@@H](O)CCSC)CC2)ncn1 ZINC000223409805 395855161 /nfs/dbraw/zinc/85/51/61/395855161.db2.gz KROZDFDVXKTDDB-ZDUSSCGKSA-N 0 0 324.450 0.802 50 0 DCAARN O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1nnc[nH]1 ZINC000223477231 395855485 /nfs/dbraw/zinc/85/54/85/395855485.db2.gz STCWOGQRKRJYAE-OLZOCXBDSA-N 0 0 302.334 0.909 50 0 DCAARN CCOCC1CCN(C(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)CC1 ZINC000223825885 395856861 /nfs/dbraw/zinc/85/68/61/395856861.db2.gz XAFHEEGUAMKGKK-HNNXBMFYSA-N 0 0 322.409 0.732 50 0 DCAARN O=C(NCC(F)(F)F)[C@@H]1CCCN1Cc1nnnn1C1CC1 ZINC000054991924 395909078 /nfs/dbraw/zinc/90/90/78/395909078.db2.gz PRZNIGAKSVUQGE-VIFPVBQESA-N 0 0 318.303 0.651 50 0 DCAARN CCCSc1ncc(CNCCS(=O)(=O)NC)cn1 ZINC000055211802 395914253 /nfs/dbraw/zinc/91/42/53/395914253.db2.gz QQSBEQDQGLKKKU-UHFFFAOYSA-N 0 0 304.441 0.618 50 0 DCAARN CC[C@@H](CO)N(Cc1ccccn1)C(=O)CCn1cncn1 ZINC000055224752 395914356 /nfs/dbraw/zinc/91/43/56/395914356.db2.gz GCIUSEPENTWUIL-AWEZNQCLSA-N 0 0 303.366 0.863 50 0 DCAARN Cc1ccc(S(=O)(=O)NCC2(C(N)=O)CCOCC2)s1 ZINC000055246078 395914777 /nfs/dbraw/zinc/91/47/77/395914777.db2.gz ZCVJWJAJLRGBNN-UHFFFAOYSA-N 0 0 318.420 0.617 50 0 DCAARN C[C@@H](O)CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000128335131 395917160 /nfs/dbraw/zinc/91/71/60/395917160.db2.gz IGLGUWNFTRGJSD-SECBINFHSA-N 0 0 307.375 0.572 50 0 DCAARN O=C(NCc1ccccc1-n1ccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000055696878 395920988 /nfs/dbraw/zinc/92/09/88/395920988.db2.gz JYTABLCTHHLCKZ-CYBMUJFWSA-N 0 0 319.386 0.923 50 0 DCAARN Cc1csc(N2CCCN(C(=O)[C@H]3COCCO3)CC2)n1 ZINC000055760334 395921536 /nfs/dbraw/zinc/92/15/36/395921536.db2.gz XSLKLBVSONTMMZ-GFCCVEGCSA-N 0 0 311.407 0.906 50 0 DCAARN O=C(CN1CCC[C@@H](C(=O)c2ccccn2)C1)N1CCOCC1 ZINC000244840220 395925075 /nfs/dbraw/zinc/92/50/75/395925075.db2.gz UIZQDLOAZCJTAD-CQSZACIVSA-N 0 0 317.389 0.835 50 0 DCAARN Cc1cc(CC(=O)N2CCN(Cc3noc(C)n3)CC2)on1 ZINC000244874171 395925918 /nfs/dbraw/zinc/92/59/18/395925918.db2.gz WVVYSEFZVFCAKK-UHFFFAOYSA-N 0 0 305.338 0.561 50 0 DCAARN Cc1cc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)on1 ZINC000052609558 395866499 /nfs/dbraw/zinc/86/64/99/395866499.db2.gz FNGKCPVOYQCHPK-UHFFFAOYSA-N 0 0 322.390 0.885 50 0 DCAARN Cc1cc(C)n(CCCNC(=O)CNC(=O)c2ccnn2C)n1 ZINC000226746237 395867160 /nfs/dbraw/zinc/86/71/60/395867160.db2.gz ZFGOYGLIAMLCSZ-UHFFFAOYSA-N 0 0 318.381 0.170 50 0 DCAARN C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N(C)CC(N)=O ZINC000052831358 395870970 /nfs/dbraw/zinc/87/09/70/395870970.db2.gz SKAISCYYXPIJNG-NSHDSACASA-N 0 0 302.378 0.632 50 0 DCAARN O[C@H](COCc1ccco1)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000229554948 395875341 /nfs/dbraw/zinc/87/53/41/395875341.db2.gz HJWSRRACEWBEPS-GOEBONIOSA-N 0 0 321.377 0.755 50 0 DCAARN CCN(C[C@@H]1CN([C@@H]2C[C@@H](C)OC2=O)CCO1)c1cccnn1 ZINC000229913932 395876201 /nfs/dbraw/zinc/87/62/01/395876201.db2.gz WOZQZUNNSSUTHW-MGPQQGTHSA-N 0 0 320.393 0.708 50 0 DCAARN CN1CCO[C@H](CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000230139977 395878552 /nfs/dbraw/zinc/87/85/52/395878552.db2.gz YVDKIVSJRIBDFL-DZGCQCFKSA-N 0 0 317.389 0.486 50 0 DCAARN O=C(Nc1cccnc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000053247395 395879025 /nfs/dbraw/zinc/87/90/25/395879025.db2.gz BMKLBURJCYWOSG-CYBMUJFWSA-N 0 0 304.350 0.937 50 0 DCAARN O=C(NC1CCN(C(=O)c2ccncc2)CC1)[C@@H]1CCCO1 ZINC000053339896 395881036 /nfs/dbraw/zinc/88/10/36/395881036.db2.gz NJLTXCJCCCPERO-AWEZNQCLSA-N 0 0 303.362 0.981 50 0 DCAARN COCCNC(=O)c1nnc2ccc(N3CCOCC3)cc2n1 ZINC000057280157 395942083 /nfs/dbraw/zinc/94/20/83/395942083.db2.gz UQGQDPLMNYGVLK-UHFFFAOYSA-N 0 0 317.349 0.238 50 0 DCAARN CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)N1CCOC[C@H]1C ZINC000247978605 395981592 /nfs/dbraw/zinc/98/15/92/395981592.db2.gz WGZNJDPEWORVDF-NEPJUHHUSA-N 0 0 320.411 0.370 50 0 DCAARN CC(C)N1C[C@@H](C(=O)NCCN2C[C@@H](C)O[C@H](C)C2)CC1=O ZINC000248147942 395983532 /nfs/dbraw/zinc/98/35/32/395983532.db2.gz FTJRBIRWJFGBDZ-MCIONIFRSA-N 0 0 311.426 0.469 50 0 DCAARN Cc1nc2c(NC3CCN(S(C)(=O)=O)CC3)cccn2n1 ZINC000065284271 395991923 /nfs/dbraw/zinc/99/19/23/395991923.db2.gz LKFKNVTYJBMHFP-UHFFFAOYSA-N 0 0 309.395 0.874 50 0 DCAARN CCc1nc(C)c2c(n1)N(CCN1CCOCC1)C(=O)CC2 ZINC000065289307 395992511 /nfs/dbraw/zinc/99/25/11/395992511.db2.gz UXDQSIDDLPEXDF-UHFFFAOYSA-N 0 0 304.394 0.959 50 0 DCAARN O=C(N[C@@H]1CCCN(Cc2cccnc2)C1)c1c[nH]c(=O)cn1 ZINC000252509801 396022331 /nfs/dbraw/zinc/02/23/31/396022331.db2.gz YVZXAXYYIJRGKZ-CYBMUJFWSA-N 0 0 313.361 0.972 50 0 DCAARN COc1ccc(C=c2sc3n(c2=O)CCCN=3)cc1OC ZINC000252597198 396023270 /nfs/dbraw/zinc/02/32/70/396023270.db2.gz CPJHKSZOGGCYAN-UHFFFAOYSA-N 0 0 304.371 0.779 50 0 DCAARN CC(C)[C@@H](CO)NC(=O)C[C@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000252570397 396023504 /nfs/dbraw/zinc/02/35/04/396023504.db2.gz WQMDIRUSFSYXDT-VXGBXAGGSA-N 0 0 323.349 0.428 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(CCOC3)C2)cc1 ZINC000153351118 396024064 /nfs/dbraw/zinc/02/40/64/396024064.db2.gz FCWZTTDZILJCJC-HNNXBMFYSA-N 0 0 324.402 0.847 50 0 DCAARN O=C(N[C@@H]1CN(Cc2ccoc2)C[C@H]1CO)c1cccnc1 ZINC000253406838 396026746 /nfs/dbraw/zinc/02/67/46/396026746.db2.gz JIQDIPOHVZEQCV-LSDHHAIUSA-N 0 0 301.346 0.897 50 0 DCAARN COCC[C@H]1CCCCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000067514747 396027619 /nfs/dbraw/zinc/02/76/19/396027619.db2.gz IGGPJVACDOOSHM-LLVKDONJSA-N 0 0 311.382 0.734 50 0 DCAARN CN1CCN(Cc2noc(CCc3nc(Cl)n[nH]3)n2)CC1 ZINC000067513457 396027624 /nfs/dbraw/zinc/02/76/24/396027624.db2.gz XXMUKXNPWIWDNB-UHFFFAOYSA-N 0 0 311.777 0.374 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)c2cc3c(cn2)OCCC3)[C@H](C)C1 ZINC000253429262 396028902 /nfs/dbraw/zinc/02/89/02/396028902.db2.gz QCOQIORBQNPUQH-CHWSQXEVSA-N 0 0 319.405 0.934 50 0 DCAARN O=C(CCc1ccccc1F)N1CC(N2C(=O)CNC2=O)C1 ZINC000253473863 396029477 /nfs/dbraw/zinc/02/94/77/396029477.db2.gz ZFLNJNPHZCWOJJ-UHFFFAOYSA-N 0 0 305.309 0.521 50 0 DCAARN CCC1=NO[C@H](CN2CCN(c3cc(=O)nc(N)[nH]3)CC2)C1 ZINC000253536242 396029829 /nfs/dbraw/zinc/02/98/29/396029829.db2.gz LZRFCVAGLGHPJO-NSHDSACASA-N 0 0 306.370 0.441 50 0 DCAARN Cc1cc(=O)[nH]c(N2CCC(NC(=O)c3ccn[nH]3)CC2)n1 ZINC000253537215 396030444 /nfs/dbraw/zinc/03/04/44/396030444.db2.gz CUDCWPZUPZMEJB-UHFFFAOYSA-N 0 0 302.338 0.613 50 0 DCAARN CCCn1[nH]ccc1=NC(=O)CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000254498565 396031228 /nfs/dbraw/zinc/03/12/28/396031228.db2.gz DCGKJTGVDCTDSW-KBPBESRZSA-N 0 0 323.441 0.040 50 0 DCAARN CCN1CCN(Cc2cc(C(=O)N(C)C[C@@H](C)O)no2)CC1 ZINC000067805231 396034129 /nfs/dbraw/zinc/03/41/29/396034129.db2.gz XKBZBICWNHWOJG-GFCCVEGCSA-N 0 0 310.398 0.265 50 0 DCAARN Cn1ccnc1C(=O)N[C@@H]1CN(Cc2ccccn2)C[C@H]1CO ZINC000257187207 396035291 /nfs/dbraw/zinc/03/52/91/396035291.db2.gz ABLAALXMEHYLCL-GXTWGEPZSA-N 0 0 315.377 0.038 50 0 DCAARN COc1ccc(-n2cccn2)c(CN2CC[C@]([NH3+])(C(=O)[O-])C2)c1 ZINC000067983182 396041779 /nfs/dbraw/zinc/04/17/79/396041779.db2.gz HYWXNJICLUCTBX-MRXNPFEDSA-N 0 0 316.361 0.869 50 0 DCAARN Cc1cc(C(=O)NCC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c(C)o1 ZINC000068096380 396045212 /nfs/dbraw/zinc/04/52/12/396045212.db2.gz ATRCZLZFHITEHB-SKDRFNHKSA-N 0 0 321.377 0.739 50 0 DCAARN CC(=O)Nc1cc(C(=O)N[C@H](C)c2nnnn2C)ccc1C ZINC000252491473 396020847 /nfs/dbraw/zinc/02/08/47/396020847.db2.gz LNDHYRASPJWFSJ-SECBINFHSA-N 0 0 302.338 0.968 50 0 DCAARN CC(C)[C@@H](CO)NC(=O)CCCn1nnc2ccccc2c1=O ZINC000252484433 396021135 /nfs/dbraw/zinc/02/11/35/396021135.db2.gz FVWCWQKIGYLBIQ-CQSZACIVSA-N 0 0 318.377 0.705 50 0 DCAARN CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1 ZINC000252495810 396021475 /nfs/dbraw/zinc/02/14/75/396021475.db2.gz PBGLAGCIAZDBST-UHFFFAOYSA-N 0 0 312.391 0.535 50 0 DCAARN COc1ccc(CCNC(=O)N[C@@H](C)c2nnnn2C)c(F)c1 ZINC000252497766 396021526 /nfs/dbraw/zinc/02/15/26/396021526.db2.gz QPGPGZMHNMFLDR-VIFPVBQESA-N 0 0 322.344 0.961 50 0 DCAARN O=C(CN1CCC[C@H](Cn2cncn2)C1)Nc1nncs1 ZINC000069657836 396086369 /nfs/dbraw/zinc/08/63/69/396086369.db2.gz PATIJWRZRVOOBT-JTQLQIEISA-N 0 0 307.383 0.480 50 0 DCAARN O=C(CN1CCN(C[C@H](O)c2ccccc2)CC1)NCC1CC1 ZINC000069701893 396087386 /nfs/dbraw/zinc/08/73/86/396087386.db2.gz QEQKERFJNVUYFP-KRWDZBQOSA-N 0 0 317.433 0.864 50 0 DCAARN O=C(NCc1cccc2c1OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000069705415 396087611 /nfs/dbraw/zinc/08/76/11/396087611.db2.gz AMJGXCOKGYBYCL-LLVKDONJSA-N 0 0 311.359 0.509 50 0 DCAARN CCNC(=O)N1[C@H](CC(=O)OCC)C(=O)N[C@H]2CCCC[C@@H]21 ZINC000169365492 396090086 /nfs/dbraw/zinc/09/00/86/396090086.db2.gz SQEFPRNRXQHVOA-SDDRHHMPSA-N 0 0 311.382 0.781 50 0 DCAARN COCc1nc([C@H]2CCCN(C(=O)c3ccnn3C)C2)no1 ZINC000169750052 396090866 /nfs/dbraw/zinc/09/08/66/396090866.db2.gz IELZBIOXPDTQDY-JTQLQIEISA-N 0 0 305.338 0.969 50 0 DCAARN CCOCCN1CCN(CC(=O)NCc2ccccn2)C[C@@H]1C ZINC000069818895 396091221 /nfs/dbraw/zinc/09/12/21/396091221.db2.gz SBPIAFAETVKGNM-HNNXBMFYSA-N 0 0 320.437 0.740 50 0 DCAARN Cc1cc(C(=O)NC[C@H]2Cn3cccc3C(=O)N2C)nn1C ZINC000169778799 396091699 /nfs/dbraw/zinc/09/16/99/396091699.db2.gz ZJHFWQZDYSLPBU-NSHDSACASA-N 0 0 301.350 0.414 50 0 DCAARN Cc1cc(C(=O)NC[C@H]2Cn3cccc3C(=O)N2C)n(C)n1 ZINC000169778801 396091706 /nfs/dbraw/zinc/09/17/06/396091706.db2.gz DLFDPISXRJZHQF-NSHDSACASA-N 0 0 301.350 0.414 50 0 DCAARN COc1ccc(C(=O)N2CCc3n[nH]c(=O)n3CC2)cc1F ZINC000169783057 396091931 /nfs/dbraw/zinc/09/19/31/396091931.db2.gz ZBOOMLOCTOFVET-UHFFFAOYSA-N 0 0 306.297 0.418 50 0 DCAARN COCCCNC(=O)[C@@]1(CCO)CCN(c2ncccn2)C1 ZINC000169787648 396092471 /nfs/dbraw/zinc/09/24/71/396092471.db2.gz IBOCUPWSTQFFGF-OAHLLOKOSA-N 0 0 308.382 0.208 50 0 DCAARN O=C(COc1ccc(F)cc1)N[C@H]1CCc2n[nH]c(=O)n2CC1 ZINC000169790489 396093340 /nfs/dbraw/zinc/09/33/40/396093340.db2.gz OWCFNGWYTQMDTP-NSHDSACASA-N 0 0 320.324 0.611 50 0 DCAARN CCc1ncc2c(n1)CN(C[C@@H](O)CN1CCOCC1)CC2 ZINC000069878150 396093849 /nfs/dbraw/zinc/09/38/49/396093849.db2.gz JYRYWEQYSJCFTB-AWEZNQCLSA-N 0 0 306.410 0.090 50 0 DCAARN O=C(Cn1cnc2c(c1=O)CCCN2)NCc1cccs1 ZINC000069901191 396094432 /nfs/dbraw/zinc/09/44/32/396094432.db2.gz IVKBRDYOEKVRMY-UHFFFAOYSA-N 0 0 304.375 0.979 50 0 DCAARN Cc1ccc(N2CCC[C@@H](N(C)CCS(C)(=O)=O)C2)nn1 ZINC000069920737 396094828 /nfs/dbraw/zinc/09/48/28/396094828.db2.gz QGPONWXCRWOHRF-CYBMUJFWSA-N 0 0 312.439 0.730 50 0 DCAARN COC(=O)c1ccc(C(=O)NCCc2nc(N(C)C)no2)cc1 ZINC000170605986 396094983 /nfs/dbraw/zinc/09/49/83/396094983.db2.gz IBQKUQGGGJEKNQ-UHFFFAOYSA-N 0 0 318.333 0.895 50 0 DCAARN CCOC(=O)CCCNC(=O)COc1cncc(Cl)n1 ZINC000170600176 396094986 /nfs/dbraw/zinc/09/49/86/396094986.db2.gz YRXOHVZZBRHYQB-UHFFFAOYSA-N 0 0 301.730 0.968 50 0 DCAARN CON(CCO)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000170602728 396095115 /nfs/dbraw/zinc/09/51/15/396095115.db2.gz UQKGDHANNSYXEE-NSHDSACASA-N 0 0 312.391 0.983 50 0 DCAARN C[C@@H](C(=O)N1CCc2sccc2C1)N1CCN(CCO)CC1 ZINC000069924070 396095275 /nfs/dbraw/zinc/09/52/75/396095275.db2.gz QYGQTEWVJOANBU-ZDUSSCGKSA-N 0 0 323.462 0.631 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)c2cccc3c2OCO3)CC1 ZINC000069951668 396096411 /nfs/dbraw/zinc/09/64/11/396096411.db2.gz HBIOGBJNBHJUSG-LBPRGKRZSA-N 0 0 306.362 0.944 50 0 DCAARN COc1ccccc1CN1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000069950400 396096439 /nfs/dbraw/zinc/09/64/39/396096439.db2.gz WGJVOKZBEITSDC-AWEZNQCLSA-N 0 0 317.389 0.618 50 0 DCAARN Cc1cnn(C[C@H]2CCCN2C(=O)CCNS(C)(=O)=O)c1 ZINC000069951902 396096583 /nfs/dbraw/zinc/09/65/83/396096583.db2.gz MGKDKWDFFQXEGU-GFCCVEGCSA-N 0 0 314.411 0.122 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)CCNc2ncccn2)CC1 ZINC000069969654 396096631 /nfs/dbraw/zinc/09/66/31/396096631.db2.gz YWHJKDNRFXKETC-ZDUSSCGKSA-N 0 0 307.398 0.194 50 0 DCAARN C[C@@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)N1CCCC[C@H]1C ZINC000070036576 396098008 /nfs/dbraw/zinc/09/80/08/396098008.db2.gz CGCPPHUVTWRSNV-VXGBXAGGSA-N 0 0 323.393 0.431 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)Cc2ccc(C)nc2)CC1 ZINC000070040912 396099288 /nfs/dbraw/zinc/09/92/88/396099288.db2.gz CVIDWHBLVFSUCY-INIZCTEOSA-N 0 0 321.421 0.474 50 0 DCAARN C[C@](O)(CNC(=O)C(=O)NCc1ccco1)c1ccccc1 ZINC000070961790 396106656 /nfs/dbraw/zinc/10/66/56/396106656.db2.gz PDLBLTYPICILRH-INIZCTEOSA-N 0 0 302.330 0.920 50 0 DCAARN COC(=O)c1cn(CCN2C(=O)c3ccccc3C2=O)nn1 ZINC000071289332 396112371 /nfs/dbraw/zinc/11/23/71/396112371.db2.gz JKJFWSCPZVOICJ-UHFFFAOYSA-N 0 0 300.274 0.361 50 0 DCAARN Cc1cccn2c(CC(=O)NCCN(C)S(C)(=O)=O)cnc12 ZINC000071551904 396114267 /nfs/dbraw/zinc/11/42/67/396114267.db2.gz XZNIASPJPSUFAB-UHFFFAOYSA-N 0 0 324.406 0.193 50 0 DCAARN COc1cccc(C[C@H]2CN(C(=O)CNC(N)=O)CCO2)c1 ZINC000071774984 396114459 /nfs/dbraw/zinc/11/44/59/396114459.db2.gz VYIFLHMFWCTFNM-ZDUSSCGKSA-N 0 0 307.350 0.133 50 0 DCAARN C[C@H](Cc1ccco1)NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000071823885 396117098 /nfs/dbraw/zinc/11/70/98/396117098.db2.gz UKWCVBSEWHFENQ-SNVBAGLBSA-N 0 0 305.338 0.320 50 0 DCAARN NC(=O)[C@H](c1ccccc1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000071830560 396117640 /nfs/dbraw/zinc/11/76/40/396117640.db2.gz VRAWLFBVBURTFU-KBPBESRZSA-N 0 0 302.378 0.703 50 0 DCAARN O=C(C1CCN(c2ncccn2)CC1)N1CCCn2ncnc21 ZINC000071839403 396118003 /nfs/dbraw/zinc/11/80/03/396118003.db2.gz NWINMOJPXGYQDZ-UHFFFAOYSA-N 0 0 313.365 0.721 50 0 DCAARN Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(c3cnccn3)CC2)cn1 ZINC000071830467 396118108 /nfs/dbraw/zinc/11/81/08/396118108.db2.gz NIFVYXCGGZAQRV-KGLIPLIRSA-N 0 0 312.377 0.662 50 0 DCAARN CC(C)c1nc2n(n1)C[C@@H](NCc1nnnn1C1CC1)CC2 ZINC000071871820 396120607 /nfs/dbraw/zinc/12/06/07/396120607.db2.gz MPMSACIHWGFBGK-JTQLQIEISA-N 0 0 302.386 0.828 50 0 DCAARN CC(C)(C)CN(CCCO)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000071882511 396122311 /nfs/dbraw/zinc/12/23/11/396122311.db2.gz NPXGZYGMAUZYQJ-LLVKDONJSA-N 0 0 306.428 0.614 50 0 DCAARN CN(C)c1ccc(C(=O)N2CCN(CC(C)(C)O)CC2)nn1 ZINC000071882232 396122973 /nfs/dbraw/zinc/12/29/73/396122973.db2.gz NNMKROIJTIJFNL-UHFFFAOYSA-N 0 0 307.398 0.071 50 0 DCAARN CCNC(=O)N1CCN(C(=O)[C@@H](C)n2nc(C)cc2C)CC1 ZINC000071890154 396123386 /nfs/dbraw/zinc/12/33/86/396123386.db2.gz QJVOEKSQXBWVMS-CYBMUJFWSA-N 0 0 307.398 0.935 50 0 DCAARN Cc1ccc(F)cc1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000071896745 396123716 /nfs/dbraw/zinc/12/37/16/396123716.db2.gz LFJFQEVUYAOFSA-UHFFFAOYSA-N 0 0 323.368 0.312 50 0 DCAARN COc1ccc(C(N)=O)cc1NCC(=O)NCC(F)(F)F ZINC000071904272 396124625 /nfs/dbraw/zinc/12/46/25/396124625.db2.gz PORWKYGCHYWIKV-UHFFFAOYSA-N 0 0 305.256 0.885 50 0 DCAARN O=C(CN1CCOCC1)Nc1ccc(N[C@@H]2CCOC2=O)cc1 ZINC000071902413 396124631 /nfs/dbraw/zinc/12/46/31/396124631.db2.gz DOXISPVXNDXHTP-CQSZACIVSA-N 0 0 319.361 0.685 50 0 DCAARN CC1(C)NC(=O)N(CC(=O)N2CCC[C@H](n3cccn3)C2)C1=O ZINC000071924409 396125692 /nfs/dbraw/zinc/12/56/92/396125692.db2.gz GAHJXXJHLMLZQH-NSHDSACASA-N 0 0 319.365 0.377 50 0 DCAARN O=C(CCNCC(F)(F)F)N1CCC[C@H](n2cncn2)C1 ZINC000072253239 396127124 /nfs/dbraw/zinc/12/71/24/396127124.db2.gz MPQWQZKHSQMDEP-JTQLQIEISA-N 0 0 305.304 0.984 50 0 DCAARN O=C(Cn1cnnn1)N1CCC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000072130985 396127173 /nfs/dbraw/zinc/12/71/73/396127173.db2.gz MLVVEZVHMPEMHN-OAHLLOKOSA-N 0 0 312.333 0.186 50 0 DCAARN CC(C)c1ncc2c(n1)CN(CC(=O)N1CCNC1=O)CC2 ZINC000072268534 396128017 /nfs/dbraw/zinc/12/80/17/396128017.db2.gz YXBKZVLAGJMMCH-UHFFFAOYSA-N 0 0 303.366 0.510 50 0 DCAARN CC(=O)N[C@](C)(C(=O)N[C@@H]1CCc2nc(C)cn2C1)C1CC1 ZINC000072254882 396128136 /nfs/dbraw/zinc/12/81/36/396128136.db2.gz ZNEWOCDCWBLWAK-CJNGLKHVSA-N 0 0 304.394 0.927 50 0 DCAARN CN(C)c1ncccc1C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000072269157 396128150 /nfs/dbraw/zinc/12/81/50/396128150.db2.gz WLWSVVMSARVGGI-GJZGRUSLSA-N 0 0 318.421 0.819 50 0 DCAARN Cc1cnn(C[C@@H]2CN(CC(=O)Nc3cc(C)on3)CCO2)c1 ZINC000069445293 396078525 /nfs/dbraw/zinc/07/85/25/396078525.db2.gz DEHVBBFQFBCDLW-ZDUSSCGKSA-N 0 0 319.365 0.827 50 0 DCAARN O=C(NCC1CCS(=O)(=O)CC1)c1ccc[nH]c1=S ZINC000162145292 396079261 /nfs/dbraw/zinc/07/92/61/396079261.db2.gz WOEKQWJKQDTBJX-UHFFFAOYSA-N 0 0 300.405 0.925 50 0 DCAARN Cc1nnc2n1CCN(CC(=O)N1CCO[C@@H]3CCCC[C@@H]31)C2 ZINC000069487182 396080104 /nfs/dbraw/zinc/08/01/04/396080104.db2.gz QOWAAWQRSYOOGK-UONOGXRCSA-N 0 0 319.409 0.572 50 0 DCAARN Cc1nc(C)n(C[C@@H]2CCCN2Cc2nnnn2C2CC2)n1 ZINC000069493141 396080437 /nfs/dbraw/zinc/08/04/37/396080437.db2.gz BEVVFAQDYSFHQE-ZDUSSCGKSA-N 0 0 302.386 0.881 50 0 DCAARN CCn1c(CN2CCO[C@H](C(N)=O)C2)nc2c1cccc2F ZINC000069594612 396084413 /nfs/dbraw/zinc/08/44/13/396084413.db2.gz RJLRFZNQEIGMON-LBPRGKRZSA-N 0 0 306.341 0.881 50 0 DCAARN CC(C)C[C@@H](NC(N)=O)C(=O)N1CCC[C@@H]1Cn1cccn1 ZINC000075604372 396182393 /nfs/dbraw/zinc/18/23/93/396182393.db2.gz NBNMXSHKOPZORY-CHWSQXEVSA-N 0 0 307.398 0.957 50 0 DCAARN O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1ccc(=O)[nH]c1 ZINC000075675159 396185008 /nfs/dbraw/zinc/18/50/08/396185008.db2.gz MKNOAYOTPHZRNN-ZDUSSCGKSA-N 0 0 315.329 0.889 50 0 DCAARN Cc1n[nH]c(=O)c2cc(S(=O)(=O)NC3CCCCC3)cn21 ZINC000075874153 396189008 /nfs/dbraw/zinc/18/90/08/396189008.db2.gz KJRJIOOLHLYJJH-UHFFFAOYSA-N 0 0 310.379 0.942 50 0 DCAARN Cc1nnc([C@H]2CN(C(=O)c3ccnc(C4CC4)n3)CCO2)[nH]1 ZINC000076044718 396192564 /nfs/dbraw/zinc/19/25/64/396192564.db2.gz IJOBXVRGXWGCPV-GFCCVEGCSA-N 0 0 314.349 0.994 50 0 DCAARN Cc1nnc([C@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)[nH]1 ZINC000076045161 396192967 /nfs/dbraw/zinc/19/29/67/396192967.db2.gz VWEMTSUTIMNJJK-CYBMUJFWSA-N 0 0 318.381 0.606 50 0 DCAARN Cc1cnn(CCC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000076044843 396193208 /nfs/dbraw/zinc/19/32/08/396193208.db2.gz VHJYDPWFFFPLPW-LBPRGKRZSA-N 0 0 304.354 0.608 50 0 DCAARN Cc1cc(NC(=O)CN2CCO[C@H](c3nnc(C)[nH]3)C2)no1 ZINC000076048886 396193930 /nfs/dbraw/zinc/19/39/30/396193930.db2.gz BRDBVMNAYVKSDM-JTQLQIEISA-N 0 0 306.326 0.422 50 0 DCAARN CCn1ccnc1CN1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC000076055322 396195097 /nfs/dbraw/zinc/19/50/97/396195097.db2.gz XGUPLTHIODVOLO-GDBMZVCRSA-N 0 0 319.453 0.887 50 0 DCAARN Cn1cc([C@@](C)(O)CNS(=O)(=O)CCc2ccccc2)cn1 ZINC000076062194 396195708 /nfs/dbraw/zinc/19/57/08/396195708.db2.gz QFJHGPXYGMEGFN-HNNXBMFYSA-N 0 0 323.418 0.790 50 0 DCAARN O=C(C[C@@H]1C=CCC1)NCCS(=O)(=O)N1CCSCC1 ZINC000078618931 396249532 /nfs/dbraw/zinc/24/95/32/396249532.db2.gz FUVITYUDAZNTCA-GFCCVEGCSA-N 0 0 318.464 0.838 50 0 DCAARN CCCc1nnc([C@@H]2CN(Cc3nnnn3CCC)CCO2)[nH]1 ZINC000078893290 396257088 /nfs/dbraw/zinc/25/70/88/396257088.db2.gz YYEZLTJIKXOQQY-NSHDSACASA-N 0 0 320.401 0.727 50 0 DCAARN CSCC[C@](C)(O)CNC(=O)C(=O)NCc1ccco1 ZINC000077107215 396213031 /nfs/dbraw/zinc/21/30/31/396213031.db2.gz QEGKKWFIXJZUFU-ZDUSSCGKSA-N 0 0 300.380 0.516 50 0 DCAARN O=C([C@H]1CNCC(=O)N1)N1CCC(CCc2ccccc2)CC1 ZINC000077471600 396223801 /nfs/dbraw/zinc/22/38/01/396223801.db2.gz QKPFCVHUOREXJD-MRXNPFEDSA-N 0 0 315.417 0.946 50 0 DCAARN Cc1ccc(C[C@H](CO)NC(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000191742669 396423893 /nfs/dbraw/zinc/42/38/93/396423893.db2.gz GMDHDDQKQOXTTK-CABCVRRESA-N 0 0 319.405 0.866 50 0 DCAARN CNC(=O)c1noc(CNC(=O)N(C)CCc2ccccn2)n1 ZINC000584885304 396632230 /nfs/dbraw/zinc/63/22/30/396632230.db2.gz GBMIRMXULRHHIV-UHFFFAOYSA-N 0 0 318.337 0.208 50 0 DCAARN Cc1nn[nH]c1C(=O)NC1CCN(C(=O)N2CCCC2)CC1 ZINC000584885350 396632528 /nfs/dbraw/zinc/63/25/28/396632528.db2.gz CROHRONDEAQNRP-UHFFFAOYSA-N 0 0 306.370 0.523 50 0 DCAARN CNc1ncccc1C(=O)N1CC[C@]2(C1)CN(C)C(=O)CO2 ZINC000584887608 396633185 /nfs/dbraw/zinc/63/31/85/396633185.db2.gz RTFUTSRNECRHHJ-OAHLLOKOSA-N 0 0 304.350 0.197 50 0 DCAARN CC(C)c1cc(CNC(=O)N2CCS(=O)(=O)CC2)no1 ZINC000584892159 396633974 /nfs/dbraw/zinc/63/39/74/396633974.db2.gz YHOTYHCPSMQFBW-UHFFFAOYSA-N 0 0 301.368 0.738 50 0 DCAARN C[C@H](C(=O)N1CCN(C(=O)C2CCC2)CC1)N1CCCC1=O ZINC000584897411 396635760 /nfs/dbraw/zinc/63/57/60/396635760.db2.gz ZEWXNODVOMMNKZ-GFCCVEGCSA-N 0 0 307.394 0.468 50 0 DCAARN O=C(c1cc2c([nH]c1=O)CCC2)N1CCN2C(=O)OC[C@@H]2C1 ZINC000584899322 396636171 /nfs/dbraw/zinc/63/61/71/396636171.db2.gz FFFQGFYCDPXSBQ-JTQLQIEISA-N 0 0 303.318 0.553 50 0 DCAARN Cn1cccc(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)c1=O ZINC000584902576 396637288 /nfs/dbraw/zinc/63/72/88/396637288.db2.gz ZEXGSWRUGSRQMW-GFCCVEGCSA-N 0 0 317.389 0.906 50 0 DCAARN CC(C)c1nc(CCNC(=O)N2CCN(C)C(=O)[C@H]2C)no1 ZINC000584903187 396637388 /nfs/dbraw/zinc/63/73/88/396637388.db2.gz JLEKJBLWJPWDCS-SNVBAGLBSA-N 0 0 309.370 0.608 50 0 DCAARN COCCn1cnnc1[C@H](C)NC(=O)c1ccnc(OC)c1 ZINC000584904076 396637706 /nfs/dbraw/zinc/63/77/06/396637706.db2.gz WXQRGEQXBUFFOL-JTQLQIEISA-N 0 0 305.338 0.819 50 0 DCAARN CC(C)C[C@@H]1COCCN1C(=O)NCCCCS(N)(=O)=O ZINC000585137347 396641440 /nfs/dbraw/zinc/64/14/40/396641440.db2.gz UDPXGHSATLQHQC-GFCCVEGCSA-N 0 0 321.443 0.512 50 0 DCAARN CN(Cc1ccccc1)c1ncnc2c1ncn2C[C@H](O)CO ZINC000585138845 396641484 /nfs/dbraw/zinc/64/14/84/396641484.db2.gz HEGUBFBIDOCXFH-ZDUSSCGKSA-N 0 0 313.361 0.816 50 0 DCAARN Cc1nccc(O[C@H]2CCN(C(=O)Cn3ncccc3=O)C2)n1 ZINC000585147199 396642185 /nfs/dbraw/zinc/64/21/85/396642185.db2.gz YJAVIBCYIBJYGD-LBPRGKRZSA-N 0 0 315.333 0.022 50 0 DCAARN COc1cccc(C(=O)NC[C@]2(OCCO)CCOC2)c1O ZINC000617714600 396786754 /nfs/dbraw/zinc/78/67/54/396786754.db2.gz LRRUVEIIUPUONB-OAHLLOKOSA-N 0 0 311.334 0.299 50 0 DCAARN O=C(CCN1CCCC1=O)N1CCN(CC(F)(F)F)CC1 ZINC000589941334 396730930 /nfs/dbraw/zinc/73/09/30/396730930.db2.gz FYPDMUYRCSSLBF-UHFFFAOYSA-N 0 0 307.316 0.705 50 0 DCAARN CCO[C@H](CS(=O)(=O)N1CCCC[C@]1(C)C(N)=O)C1CC1 ZINC000625119165 396776864 /nfs/dbraw/zinc/77/68/64/396776864.db2.gz MAIOBRKDESTWAH-TZMCWYRMSA-N 0 0 318.439 0.861 50 0 DCAARN COc1ccc(-c2nnc3n2CCS(=O)(=O)CC3)cc1OC ZINC000630951533 397146325 /nfs/dbraw/zinc/14/63/25/397146325.db2.gz LJWRWJJYPSINBT-UHFFFAOYSA-N 0 0 323.374 0.933 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)NC2CCS(=O)(=O)CC2)CC1=O ZINC000613759009 397316829 /nfs/dbraw/zinc/31/68/29/397316829.db2.gz NBQHMNSFCGHAAY-NSHDSACASA-N 0 0 316.423 0.184 50 0 DCAARN O=C(CN1C(=O)CCC1=O)N1CCn2nc(C3CC3)cc2C1 ZINC000390829339 397302910 /nfs/dbraw/zinc/30/29/10/397302910.db2.gz DSBGVPQXMITAKA-UHFFFAOYSA-N 0 0 302.334 0.252 50 0 DCAARN O=S1(=O)CCCN1CCN1CCC[C@@](O)(C(F)(F)F)C1 ZINC000407951744 397333208 /nfs/dbraw/zinc/33/32/08/397333208.db2.gz SYDTXNHNGYEBAZ-JTQLQIEISA-N 0 0 316.345 0.411 50 0 DCAARN O=C(Cn1cccn1)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000608559038 397737928 /nfs/dbraw/zinc/73/79/28/397737928.db2.gz IMEGWEQCSRHMGT-AWEZNQCLSA-N 0 0 320.393 0.513 50 0 DCAARN COc1ccc([C@@H]2NC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000020730734 286364984 /nfs/dbraw/zinc/36/49/84/286364984.db2.gz ZOIKEVUZBFYEPW-NSHDSACASA-N 0 0 316.317 0.317 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC(=O)Nc2ccccc21 ZINC000016847998 286610109 /nfs/dbraw/zinc/61/01/09/286610109.db2.gz IGNBKVFCCALVGE-LBPRGKRZSA-N 0 0 323.374 0.396 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1ncc[nH]1 ZINC000135072810 158333702 /nfs/dbraw/zinc/33/37/02/158333702.db2.gz UBOFJFAJLZFGFW-NSHDSACASA-N 0 0 314.411 0.273 50 0 DCAARN Cc1noc([C@H]2CN(C(=O)[C@@H](C)n3cncn3)CCN2C)n1 ZINC000328979325 159048997 /nfs/dbraw/zinc/04/89/97/159048997.db2.gz XIQZVZHZKASYNW-MWLCHTKSSA-N 0 0 305.342 0.046 50 0 DCAARN CN(C)c1cnc(C(=O)N2CCC(Cn3cncn3)CC2)cn1 ZINC000330303105 159158034 /nfs/dbraw/zinc/15/80/34/159158034.db2.gz JRSOJYRFYRYKNS-UHFFFAOYSA-N 0 0 315.381 0.687 50 0 DCAARN NC(=O)COCCNC(=O)c1ccc(F)c(Br)c1 ZINC000131258330 196153771 /nfs/dbraw/zinc/15/37/71/196153771.db2.gz JZGONEHHEZNCFF-UHFFFAOYSA-N 0 0 319.130 0.820 50 0 DCAARN NC(=O)c1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1 ZINC000011544744 415150823 /nfs/dbraw/zinc/15/08/23/415150823.db2.gz GOAPDEVZEKQRFE-UHFFFAOYSA-N 0 0 311.345 0.538 50 0 DCAARN Cc1ccc(N2C(=O)C(=O)N(CC(=O)N3CCCC3)C2=O)cc1 ZINC000025063313 415158703 /nfs/dbraw/zinc/15/87/03/415158703.db2.gz SVCOHJKWIWGGMQ-UHFFFAOYSA-N 0 0 315.329 0.913 50 0 DCAARN Cc1cc2cc(NC(=O)Cn3ccc(=O)n(C)c3=O)ccc2[nH]1 ZINC000025129528 415159267 /nfs/dbraw/zinc/15/92/67/415159267.db2.gz MTBCOAONWGOUPN-UHFFFAOYSA-N 0 0 312.329 0.975 50 0 DCAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(=O)[nH]n1 ZINC000025417385 415160811 /nfs/dbraw/zinc/16/08/11/415160811.db2.gz GOAPLPXMVPUSSE-LBPRGKRZSA-N 0 0 301.302 0.696 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)Cc2ccccc2OC)CC1 ZINC000025229170 415161750 /nfs/dbraw/zinc/16/17/50/415161750.db2.gz DIBUIUOXVHKKON-UHFFFAOYSA-N 0 0 319.405 0.564 50 0 DCAARN C[C@@H](C(=O)NC(N)=O)N1CCN(Cc2ccccc2F)CC1 ZINC000025412605 415162666 /nfs/dbraw/zinc/16/26/66/415162666.db2.gz MGQQNSSHSASMSR-NSHDSACASA-N 0 0 308.357 0.527 50 0 DCAARN Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2ncnc2n1 ZINC000000806642 415125868 /nfs/dbraw/zinc/12/58/68/415125868.db2.gz NDOCOGXJOGXZCJ-UHFFFAOYSA-N 0 0 312.333 0.988 50 0 DCAARN CCOC(=O)c1ccc(N2C(=O)CS(=O)(=O)CC2=O)cc1 ZINC000000101024 415126896 /nfs/dbraw/zinc/12/68/96/415126896.db2.gz JRBBZDKHFIPQQM-UHFFFAOYSA-N 0 0 311.315 0.151 50 0 DCAARN COc1ccc(CNC(=O)CSc2nnnn2C)cc1OC ZINC000003513087 415130010 /nfs/dbraw/zinc/13/00/10/415130010.db2.gz RNBHBPUZSOUSEH-UHFFFAOYSA-N 0 0 323.378 0.636 50 0 DCAARN CC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O ZINC000026129261 415164829 /nfs/dbraw/zinc/16/48/29/415164829.db2.gz LBAKYHMOEGXYRI-UHFFFAOYSA-N 0 0 301.224 0.703 50 0 DCAARN O=S(=O)(N[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCC2 ZINC000007308510 415138004 /nfs/dbraw/zinc/13/80/04/415138004.db2.gz MMUAYDNBVGQKGK-LBPRGKRZSA-N 0 0 315.416 0.641 50 0 DCAARN C[C@@H](OC(=O)[C@@H]1CCCO1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000007034041 415138168 /nfs/dbraw/zinc/13/81/68/415138168.db2.gz JANBPAHONQPWCG-SKDRFNHKSA-N 0 0 306.318 0.835 50 0 DCAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CCC(N)=O)C1=O ZINC000007206610 415138287 /nfs/dbraw/zinc/13/82/87/415138287.db2.gz WUJYABNTVHVYOB-MRXNPFEDSA-N 0 0 301.346 0.818 50 0 DCAARN O=S(=O)(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCC2 ZINC000007308509 415138622 /nfs/dbraw/zinc/13/86/22/415138622.db2.gz MMUAYDNBVGQKGK-GFCCVEGCSA-N 0 0 315.416 0.641 50 0 DCAARN CCCNC(=O)CN(C)C(=O)CNC(=O)c1ccc(C)s1 ZINC000007736920 415139997 /nfs/dbraw/zinc/13/99/97/415139997.db2.gz QWPNRYOWBWZTOU-UHFFFAOYSA-N 0 0 311.407 0.771 50 0 DCAARN C[C@H](C(N)=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000007493748 415141192 /nfs/dbraw/zinc/14/11/92/415141192.db2.gz MEKJSRIMNMMPIG-GFCCVEGCSA-N 0 0 320.393 0.267 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000007376256 415142095 /nfs/dbraw/zinc/14/20/95/415142095.db2.gz OYTPDJSMOIQMGD-UHFFFAOYSA-N 0 0 323.378 0.592 50 0 DCAARN CCOCCCNC(=O)c1cc(S(N)(=O)=O)ccc1OC ZINC000008313670 415144330 /nfs/dbraw/zinc/14/43/30/415144330.db2.gz CEUHPONBHMDPFD-UHFFFAOYSA-N 0 0 316.379 0.499 50 0 DCAARN Cc1cc(NC(=O)COC(=O)Cn2c(C)csc2=O)no1 ZINC000007985833 415146507 /nfs/dbraw/zinc/14/65/07/415146507.db2.gz PKBDKNONUVEJOS-UHFFFAOYSA-N 0 0 311.319 0.697 50 0 DCAARN CCn1cc(C(=O)N2CCNC(=O)C2)c(=O)c2ccc(C)nc21 ZINC000012388985 415149367 /nfs/dbraw/zinc/14/93/67/415149367.db2.gz QFIGVIPIWLHLLV-UHFFFAOYSA-N 0 0 314.345 0.297 50 0 DCAARN CCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000012231340 415149410 /nfs/dbraw/zinc/14/94/10/415149410.db2.gz RBTOYAZLGNHYBV-UHFFFAOYSA-N 0 0 302.338 0.256 50 0 DCAARN COCCCNC(=O)CCN1C(=O)NC2(CCCCC2)C1=O ZINC000025705251 415165240 /nfs/dbraw/zinc/16/52/40/415165240.db2.gz KVKBXVAPNHIANC-UHFFFAOYSA-N 0 0 311.382 0.784 50 0 DCAARN NS(=O)(=O)Cc1ccc(CNC(=O)N2CCOCC2)cc1 ZINC000027337778 415167409 /nfs/dbraw/zinc/16/74/09/415167409.db2.gz LZQNUFZINKPSQU-UHFFFAOYSA-N 0 0 313.379 0.017 50 0 DCAARN CC(C)(C)c1nnc(CN2CCN(S(C)(=O)=O)CC2)o1 ZINC000027224343 415170043 /nfs/dbraw/zinc/17/00/43/415170043.db2.gz WZHWNMZQMVRDJD-UHFFFAOYSA-N 0 0 302.400 0.444 50 0 DCAARN O=C(C1CC1)N1CCN(CCn2nc3ccccn3c2=O)CC1 ZINC000026923311 415170058 /nfs/dbraw/zinc/17/00/58/415170058.db2.gz NGFGPAKXOXRDON-UHFFFAOYSA-N 0 0 315.377 0.050 50 0 DCAARN C[C@H](NC(=O)N1CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000027339232 415170623 /nfs/dbraw/zinc/17/06/23/415170623.db2.gz GFAHMAAIXKDISR-JTQLQIEISA-N 0 0 313.379 0.437 50 0 DCAARN CC(=O)N1CCCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000027565191 415172216 /nfs/dbraw/zinc/17/22/16/415172216.db2.gz PMPGNJQLLCPRAD-UHFFFAOYSA-N 0 0 300.366 0.717 50 0 DCAARN C[C@@H](C(=O)NCCc1ccccc1)S(=O)(=O)c1nncn1C ZINC000040539987 415198533 /nfs/dbraw/zinc/19/85/33/415198533.db2.gz JMANGTYPGZBBAD-NSHDSACASA-N 0 0 322.390 0.336 50 0 DCAARN CN1CC[C@@H](C(=O)N2CCN(Cc3ccccn3)CC2)CC1=O ZINC000044336617 415219348 /nfs/dbraw/zinc/21/93/48/415219348.db2.gz MEPMLRPDPHQFRG-CQSZACIVSA-N 0 0 316.405 0.594 50 0 DCAARN C[C@H]1COCCN1C(=O)Cn1nc(-c2cccs2)oc1=O ZINC000044916762 415232824 /nfs/dbraw/zinc/23/28/24/415232824.db2.gz FUTLUXIREFDPGN-VIFPVBQESA-N 0 0 309.347 0.812 50 0 DCAARN CNC(=O)CS(=O)(=O)Cc1noc(-c2ccc(C)cc2)n1 ZINC000044938648 415236310 /nfs/dbraw/zinc/23/63/10/415236310.db2.gz XFULVOICFAXZLD-UHFFFAOYSA-N 0 0 309.347 0.706 50 0 DCAARN COc1ccc2c(c1)CCCN2C(=O)CCNS(C)(=O)=O ZINC000044916900 415236487 /nfs/dbraw/zinc/23/64/87/415236487.db2.gz QRUCQKNYPANYDH-UHFFFAOYSA-N 0 0 312.391 0.914 50 0 DCAARN C[C@H](C(=O)NCCOc1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000044953845 415240077 /nfs/dbraw/zinc/24/00/77/415240077.db2.gz PAXFONRJMHGCBA-SECBINFHSA-N 0 0 315.347 0.343 50 0 DCAARN O=C(c1cc(C2CC2)n[nH]1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000045053240 415243561 /nfs/dbraw/zinc/24/35/61/415243561.db2.gz NLEIDVFKIIOOPP-AWEZNQCLSA-N 0 0 318.377 0.751 50 0 DCAARN C[C@@H](C(=O)N1CCN(Cc2ccccn2)CC1)n1cncn1 ZINC000045221493 415243673 /nfs/dbraw/zinc/24/36/73/415243673.db2.gz GDCSNBDIPHNZFK-ZDUSSCGKSA-N 0 0 300.366 0.579 50 0 DCAARN CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC)cc2)CC1 ZINC000045031206 415243843 /nfs/dbraw/zinc/24/38/43/415243843.db2.gz JKHKWQVZTWBUAF-UHFFFAOYSA-N 0 0 320.393 0.981 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)C[C@H]2CCCO2)no1 ZINC000045359831 415246581 /nfs/dbraw/zinc/24/65/81/415246581.db2.gz DHZKRHSKGCWLSA-NXEZZACHSA-N 0 0 302.352 0.904 50 0 DCAARN O=C(CCn1cccn1)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000046050191 415256352 /nfs/dbraw/zinc/25/63/52/415256352.db2.gz YOMVFOJEAGJXQS-HUUCEWRRSA-N 0 0 322.409 0.127 50 0 DCAARN CC[C@@](C)(CNC(=O)NCCc1cnn(C)c1)N1CCOCC1 ZINC000046940326 415261772 /nfs/dbraw/zinc/26/17/72/415261772.db2.gz QLEFGICWZIQDLB-INIZCTEOSA-N 0 0 323.441 0.763 50 0 DCAARN CCCn1nccc1NC(=O)NCC1(C(N)=O)CCOCC1 ZINC000047391693 415271222 /nfs/dbraw/zinc/27/12/22/415271222.db2.gz ULBTVVHEYPHHQV-UHFFFAOYSA-N 0 0 309.370 0.697 50 0 DCAARN CC[C@@H](CO)NC(=O)NCc1ccc(S(=O)(=O)NC)cc1 ZINC000047601966 415273525 /nfs/dbraw/zinc/27/35/25/415273525.db2.gz CZGAKDRTYRUBGS-NSHDSACASA-N 0 0 315.395 0.165 50 0 DCAARN COc1ccnc(N2CCN(C(=O)c3ccc[nH]c3=O)CC2)n1 ZINC000047694076 415280660 /nfs/dbraw/zinc/28/06/60/415280660.db2.gz KPWLGVVMSRLOKF-UHFFFAOYSA-N 0 0 315.333 0.136 50 0 DCAARN CNC(=O)[C@H]1Cc2ccccc2CN1Cc1nnnn1C1CC1 ZINC000047853227 415280859 /nfs/dbraw/zinc/28/08/59/415280859.db2.gz OIARGBUAHYSPIC-CQSZACIVSA-N 0 0 312.377 0.681 50 0 DCAARN CC(=O)N1CCN(C(=O)Nc2ccc(-n3cncn3)nc2)CC1 ZINC000048133907 415282099 /nfs/dbraw/zinc/28/20/99/415282099.db2.gz SYWJMZMTOWBQRH-UHFFFAOYSA-N 0 0 315.337 0.358 50 0 DCAARN C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1cccnc1 ZINC000048068113 415283108 /nfs/dbraw/zinc/28/31/08/415283108.db2.gz IHMYTIPKOSIRBC-LLVKDONJSA-N 0 0 314.411 0.723 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000044894779 415229100 /nfs/dbraw/zinc/22/91/00/415229100.db2.gz KGIKJVUPDROMIJ-MWLCHTKSSA-N 0 0 308.359 0.416 50 0 DCAARN Cc1cccn2cc(CN3CCN(S(C)(=O)=O)CC3)nc12 ZINC000044874820 415229256 /nfs/dbraw/zinc/22/92/56/415229256.db2.gz ZZILSULTNBKFJV-UHFFFAOYSA-N 0 0 308.407 0.720 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000044889372 415229764 /nfs/dbraw/zinc/22/97/64/415229764.db2.gz RWLMCCAMBIUJJG-NSHDSACASA-N 0 0 308.359 0.488 50 0 DCAARN O=C(Cn1ccccc1=O)NCc1ccc2c(c1)OCCO2 ZINC000044867844 415229913 /nfs/dbraw/zinc/22/99/13/415229913.db2.gz OMDNPGGJDZXPEZ-UHFFFAOYSA-N 0 0 300.314 0.936 50 0 DCAARN CC[C@@H]1CN(C(=O)Cn2nnn(-c3cccs3)c2=O)CCO1 ZINC000044867737 415229929 /nfs/dbraw/zinc/22/99/29/415229929.db2.gz YFDVTCKADVXMLG-SNVBAGLBSA-N 0 0 323.378 0.128 50 0 DCAARN Cc1cc(C)n2ncc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)c2n1 ZINC000044908736 415231615 /nfs/dbraw/zinc/23/16/15/415231615.db2.gz RNFSICYGNIVDII-NSHDSACASA-N 0 0 322.390 0.511 50 0 DCAARN COCCn1nc(C(=O)N[C@H](C)Cc2ccco2)ccc1=O ZINC000044913609 415231714 /nfs/dbraw/zinc/23/17/14/415231714.db2.gz ZSDZVZDZEGLVGQ-LLVKDONJSA-N 0 0 305.334 0.844 50 0 DCAARN Cc1cc(C)n2nc(C(=O)N[C@@H]3CCc4nccn4C3)nc2n1 ZINC000065463166 415354118 /nfs/dbraw/zinc/35/41/18/415354118.db2.gz DDOBGYVCVRVSMU-LLVKDONJSA-N 0 0 311.349 0.682 50 0 DCAARN COCCNC(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O ZINC000048244039 415287999 /nfs/dbraw/zinc/28/79/99/415287999.db2.gz AIPGJZPPDFTJKC-UHFFFAOYSA-N 0 0 302.334 0.445 50 0 DCAARN O=C(Cn1cccn1)NCc1cccnc1N1CCOCC1 ZINC000048260969 415288086 /nfs/dbraw/zinc/28/80/86/415288086.db2.gz BYIGVCPOXSNDFR-UHFFFAOYSA-N 0 0 301.350 0.431 50 0 DCAARN CN1N=C(C(=O)NCCC(=O)NC2CCCCC2)CCC1=O ZINC000048310725 415290921 /nfs/dbraw/zinc/29/09/21/415290921.db2.gz CVADPAVVPIULQD-UHFFFAOYSA-N 0 0 308.382 0.550 50 0 DCAARN CCOC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCSCC1 ZINC000058266950 415340746 /nfs/dbraw/zinc/34/07/46/415340746.db2.gz CQTWRUYHWDIOIU-LLVKDONJSA-N 0 0 322.452 0.698 50 0 DCAARN CC(=O)N[C@H]1CCCN(C(=O)CN(C)Cc2cscn2)C1 ZINC000063592257 415350385 /nfs/dbraw/zinc/35/03/85/415350385.db2.gz KZVSZKBJGIPPSR-LBPRGKRZSA-N 0 0 310.423 0.702 50 0 DCAARN C[N@@H+]1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C[C@@H]1C(=O)[O-] ZINC000067934711 415391512 /nfs/dbraw/zinc/39/15/12/415391512.db2.gz PKYDMQMEHHRFOD-CYBMUJFWSA-N 0 0 319.361 0.095 50 0 DCAARN Cc1n[nH]c(CCC(=O)N2CC[NH2+]C[C@@H](CC(=O)[O-])C2)c1C ZINC000071753129 415411490 /nfs/dbraw/zinc/41/14/90/415411490.db2.gz DFUWVOQSTYTFMU-GFCCVEGCSA-N 0 0 308.382 0.482 50 0 DCAARN Cc1cc(CN(C)[C@H](C)C(=O)N(C)C)c(C)n1-n1cnnc1 ZINC000071712035 415411579 /nfs/dbraw/zinc/41/15/79/415411579.db2.gz ZFDQAALHYVJBAY-CYBMUJFWSA-N 0 0 304.398 0.916 50 0 DCAARN COCC(=O)N1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000067227003 415375589 /nfs/dbraw/zinc/37/55/89/415375589.db2.gz SEZYTWYPZNJVTK-UHFFFAOYSA-N 0 0 307.394 0.998 50 0 DCAARN Cc1nc(-c2cccc(Cl)c2)n(CC(N)=O)c(=O)c1CCO ZINC000067316565 415376320 /nfs/dbraw/zinc/37/63/20/415376320.db2.gz VYVWKSBXRPTYFC-UHFFFAOYSA-N 0 0 321.764 0.892 50 0 DCAARN COC(=O)c1cc2c(=O)[nH]c(=O)n(Cc3ccco3)c2nc1C ZINC000067630872 415379300 /nfs/dbraw/zinc/37/93/00/415379300.db2.gz CNPHISHSKVGIBP-UHFFFAOYSA-N 0 0 315.285 0.821 50 0 DCAARN O=C(NCCSc1c[nH]nn1)[C@@H]1COc2ccccc2O1 ZINC000067605091 415379659 /nfs/dbraw/zinc/37/96/59/415379659.db2.gz HTAGCISHMJHCGN-NSHDSACASA-N 0 0 306.347 0.853 50 0 DCAARN CC(=O)N1CCCn2nc(C(=O)N(C)C[C@@H]3CCCO3)cc2C1 ZINC000067473032 415381230 /nfs/dbraw/zinc/38/12/30/415381230.db2.gz LRVAMJASYLZKNB-AWEZNQCLSA-N 0 0 320.393 0.886 50 0 DCAARN CC(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)COc1ccccc1 ZINC000075145630 415435986 /nfs/dbraw/zinc/43/59/86/415435986.db2.gz WUDOCHJACHQKPS-GXTWGEPZSA-N 0 0 321.329 0.159 50 0 DCAARN O=C(C[C@H]1C=CCC1)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000075141582 415437362 /nfs/dbraw/zinc/43/73/62/415437362.db2.gz FZKYQEIAQRWSLR-GJZGRUSLSA-N 0 0 321.421 0.392 50 0 DCAARN C[C@](O)(CNC(=O)C(=O)NCC(F)(F)F)c1cccs1 ZINC000075155960 415437399 /nfs/dbraw/zinc/43/73/99/415437399.db2.gz HEMYZOYOCSDCJS-JTQLQIEISA-N 0 0 310.297 0.750 50 0 DCAARN C[C@](O)(CNC(=O)C(=O)NC[C@H]1CCCO1)c1cccs1 ZINC000075155956 415438190 /nfs/dbraw/zinc/43/81/90/415438190.db2.gz WZEZXATZZHFWJL-YGRLFVJLSA-N 0 0 312.391 0.367 50 0 DCAARN CCCC(=O)NC(C)(C)c1nc2c(c(C(=O)NC)n1)OCO2 ZINC000075558538 415448535 /nfs/dbraw/zinc/44/85/35/415448535.db2.gz ZCBLWDZEDZXSLC-UHFFFAOYSA-N 0 0 308.338 0.716 50 0 DCAARN C[C@@H](C1CC1)N(C(=O)CN1CCCN(C(N)=O)CC1)C1CC1 ZINC000089894166 415524924 /nfs/dbraw/zinc/52/49/24/415524924.db2.gz SEUHZQROIVJWIR-LBPRGKRZSA-N 0 0 308.426 0.862 50 0 DCAARN Cc1noc(CN2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)n1 ZINC000091289360 415536704 /nfs/dbraw/zinc/53/67/04/415536704.db2.gz DRHLAMSAFUJZQZ-UHFFFAOYSA-N 0 0 321.381 0.068 50 0 DCAARN CC[C@H](NC(=O)NCCOC)c1cccc(S(N)(=O)=O)c1 ZINC000095351227 415549019 /nfs/dbraw/zinc/54/90/19/415549019.db2.gz JRQXKLNSGBLHPK-LBPRGKRZSA-N 0 0 315.395 0.731 50 0 DCAARN Nc1nc(N2CCC3(CC2)OCCC[C@@H]3O)cc2nncn21 ZINC000095355058 415551713 /nfs/dbraw/zinc/55/17/13/415551713.db2.gz YMYITGGRQWLQAX-JTQLQIEISA-N 0 0 304.354 0.217 50 0 DCAARN CCCCSc1nc(N)cc(N2CCO[C@H](C(N)=O)C2)n1 ZINC000095363628 415554304 /nfs/dbraw/zinc/55/43/04/415554304.db2.gz KZKSEAUSJOCQEQ-VIFPVBQESA-N 0 0 311.411 0.642 50 0 DCAARN CN1C(=O)C[C@@H](C(=O)[O-])C12CC[NH+](Cc1cccnc1N)CC2 ZINC000095381264 415556538 /nfs/dbraw/zinc/55/65/38/415556538.db2.gz BBHIFILWIPLNNI-LBPRGKRZSA-N 0 0 318.377 0.561 50 0 DCAARN CN(C)[C@H](C(=O)NCCN1CCOCC1)c1cccc(F)c1 ZINC000095373207 415559831 /nfs/dbraw/zinc/55/98/31/415559831.db2.gz WXSYNIZXTUYVFR-HNNXBMFYSA-N 0 0 309.385 0.877 50 0 DCAARN Cn1cc(C(=O)N2CCN(Cc3cscn3)CC2)ccc1=O ZINC000095954742 415562467 /nfs/dbraw/zinc/56/24/67/415562467.db2.gz NBZUICMRRNMYNJ-UHFFFAOYSA-N 0 0 318.402 0.800 50 0 DCAARN O=C(CN1CCOCC1)OC[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000095943908 415565313 /nfs/dbraw/zinc/56/53/13/415565313.db2.gz RZVRDJQZGPIOPQ-CQSZACIVSA-N 0 0 318.373 0.915 50 0 DCAARN CCN(C(=O)c1cc2c(c(Cl)c1)OCO2)[C@H]1CC(=O)NC1=O ZINC000095957877 415566447 /nfs/dbraw/zinc/56/64/47/415566447.db2.gz QJCJYYLRLDGZGW-VIFPVBQESA-N 0 0 324.720 0.946 50 0 DCAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000095967367 415567386 /nfs/dbraw/zinc/56/73/86/415567386.db2.gz PJHADRCTVVQZEI-TUAOUCFPSA-N 0 0 324.468 0.376 50 0 DCAARN O=C(Cn1cnnn1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000095978289 415569862 /nfs/dbraw/zinc/56/98/62/415569862.db2.gz DVIVDHGWVGHRBC-SECBINFHSA-N 0 0 324.747 0.861 50 0 DCAARN Cn1cnc(S(=O)(=O)NCC[C@H](O)c2cccs2)c1 ZINC000096025963 415570475 /nfs/dbraw/zinc/57/04/75/415570475.db2.gz HKENDJLYYUPDEF-VIFPVBQESA-N 0 0 301.393 0.884 50 0 DCAARN Cc1occc1C(=O)NCC(=O)N[C@@H]1CCCC[C@H]1C(N)=O ZINC000096012442 415572483 /nfs/dbraw/zinc/57/24/83/415572483.db2.gz IDQWNVYVVMSVST-VXGBXAGGSA-N 0 0 307.350 0.478 50 0 DCAARN CCN1C(=O)C2=C(C(=O)c3ccc4ccccc4n3)NN[C@@H]2C1=O ZINC000103462792 415617685 /nfs/dbraw/zinc/61/76/85/415617685.db2.gz PUPNBHXGDTUZEQ-JSGCOSHPSA-N 0 0 322.324 0.750 50 0 DCAARN CCc1cc(C(=O)N2CCN(C(=O)N(C)C)CC2)cc(=O)[nH]1 ZINC000097117737 415588186 /nfs/dbraw/zinc/58/81/86/415588186.db2.gz GOGSSURYAGBPJW-UHFFFAOYSA-N 0 0 306.366 0.377 50 0 DCAARN C[C@H](OC(=O)c1ccc(N2CC=CC2)cc1)C(=O)NC(N)=O ZINC000101265522 415593505 /nfs/dbraw/zinc/59/35/05/415593505.db2.gz BXSKLPAKEMTVSZ-JTQLQIEISA-N 0 0 303.318 0.803 50 0 DCAARN COc1ccc(CC(=O)N[C@H]2C[C@H](CO)[C@@H](O)C2)cc1OC ZINC000107286803 415662839 /nfs/dbraw/zinc/66/28/39/415662839.db2.gz XWIMUYQFZPMMGW-AGIUHOORSA-N 0 0 309.362 0.494 50 0 DCAARN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@H](C)S(=O)(=O)C(C)C ZINC000108150086 415676488 /nfs/dbraw/zinc/67/64/88/415676488.db2.gz NQUWEUSGSNDKKI-HBNTYKKESA-N 0 0 304.412 0.229 50 0 DCAARN NS(=O)(=O)c1cccnc1N1CCC[C@@H](Cn2ccnn2)C1 ZINC000128571991 415901163 /nfs/dbraw/zinc/90/11/63/415901163.db2.gz FDJJWTNVEXFFGE-LLVKDONJSA-N 0 0 322.394 0.237 50 0 DCAARN Cc1c(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)cnn1C ZINC000299773420 416065466 /nfs/dbraw/zinc/06/54/66/416065466.db2.gz ANIIUXONZZTCTE-QWHCGFSZSA-N 0 0 302.338 0.306 50 0 DCAARN O=C(CCc1cccnc1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299762864 416066104 /nfs/dbraw/zinc/06/61/04/416066104.db2.gz CKOQZDBUKKXHGQ-GJZGRUSLSA-N 0 0 313.361 0.978 50 0 DCAARN Cc1nc(CC(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)cs1 ZINC000299774110 416066376 /nfs/dbraw/zinc/06/63/76/416066376.db2.gz GRXNMZLZMOGXRO-QWHCGFSZSA-N 0 0 319.390 0.958 50 0 DCAARN CCn1ncnc1[C@@H](NC(=O)CCN1CCOCC1)C1CC1 ZINC000299792051 416069040 /nfs/dbraw/zinc/06/90/40/416069040.db2.gz DFBKBLFHPQMFTM-AWEZNQCLSA-N 0 0 307.398 0.588 50 0 DCAARN Cc1ccc2[nH]c(CCNC(=O)CN3CCC[C@H](O)C3)nc2c1 ZINC000299799582 416071003 /nfs/dbraw/zinc/07/10/03/416071003.db2.gz SLUJFDSMGVCNIN-ZDUSSCGKSA-N 0 0 316.405 0.987 50 0 DCAARN COCCOCC(=O)N[C@H](C)c1nc(-c2ccccn2)no1 ZINC000299799339 416071276 /nfs/dbraw/zinc/07/12/76/416071276.db2.gz RQNQRHAYGOXDSP-SNVBAGLBSA-N 0 0 306.322 0.972 50 0 DCAARN Cc1nnnn1CCC(=O)NCCCc1nnc2ccccn21 ZINC000299802721 416071362 /nfs/dbraw/zinc/07/13/62/416071362.db2.gz NTGDNFRQJOADKV-UHFFFAOYSA-N 0 0 314.353 0.163 50 0 DCAARN CC[C@@H](NC(=O)C(C)(C)N1CCOCC1)c1ncnn1CC ZINC000299800538 416071528 /nfs/dbraw/zinc/07/15/28/416071528.db2.gz WSNLDJJLRVRKHZ-GFCCVEGCSA-N 0 0 309.414 0.976 50 0 DCAARN CO[C@]12CCN(C(=O)c3ccon3)[C@H]1C[C@H](OCCO)CC2 ZINC000299797077 416071616 /nfs/dbraw/zinc/07/16/16/416071616.db2.gz PKPSDBKPDORDRE-OSAQELSMSA-N 0 0 310.350 0.836 50 0 DCAARN Cn1cnn(CC(=O)N(Cc2ccccn2)C(C)(C)C)c1=O ZINC000191709750 416288171 /nfs/dbraw/zinc/28/81/71/416288171.db2.gz ALAQFKPREPCTLY-UHFFFAOYSA-N 0 0 303.366 0.804 50 0 DCAARN O=S1(=O)CCN(Cc2cnc(N3CCCCC3)nc2)CC1 ZINC000215102639 416326956 /nfs/dbraw/zinc/32/69/56/416326956.db2.gz ADLNFBRJHNIOSN-UHFFFAOYSA-N 0 0 310.423 0.697 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1scc2c1OCCO2 ZINC000215395136 416327031 /nfs/dbraw/zinc/32/70/31/416327031.db2.gz GKHOJCPFZZAOFF-MRVPVSSYSA-N 0 0 317.388 0.684 50 0 DCAARN CCCc1ncncc1C(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000216117111 416327489 /nfs/dbraw/zinc/32/74/89/416327489.db2.gz XTZRQGIRGRPHQK-UHFFFAOYSA-N 0 0 305.382 0.869 50 0 DCAARN COc1cncc(O[C@H]2CCCN(C(=O)N3CCNC3=O)C2)n1 ZINC000225501367 416327735 /nfs/dbraw/zinc/32/77/35/416327735.db2.gz FNIZCOWGSFURIB-JTQLQIEISA-N 0 0 321.337 0.474 50 0 DCAARN C[C@@H]1CN(Cc2ccc3c(c2)oc(=O)n3C)C[C@@H](C(N)=O)O1 ZINC000239667346 416330055 /nfs/dbraw/zinc/33/00/55/416330055.db2.gz BPQOJGAVASHTKN-RNCFNFMXSA-N 0 0 305.334 0.206 50 0 DCAARN O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)C1=NNC(=O)CC1 ZINC000244633515 416330244 /nfs/dbraw/zinc/33/02/44/416330244.db2.gz GEHUKQOXVDSMNH-SCDSUCTJSA-N 0 0 316.361 0.146 50 0 DCAARN O=C(NC[C@@]1(O)CCSC1)[C@H]1COCCN1C1CCCC1 ZINC000241719842 416330438 /nfs/dbraw/zinc/33/04/38/416330438.db2.gz QQBLCDOEBTYESG-HIFRSBDPSA-N 0 0 314.451 0.614 50 0 DCAARN CCn1ncnc1[C@H](NC(=O)Cn1nc(C)cc1N)C1CC1 ZINC000244734956 416330993 /nfs/dbraw/zinc/33/09/93/416330993.db2.gz NQNWOTGKLPZVAS-CYBMUJFWSA-N 0 0 303.370 0.653 50 0 DCAARN CSc1nc(C)cc(N2CCN3CCN(C)C(=O)[C@H]3C2)n1 ZINC000244866473 416331029 /nfs/dbraw/zinc/33/10/29/416331029.db2.gz VWTSRKMKWTUFGM-LLVKDONJSA-N 0 0 307.423 0.470 50 0 DCAARN O=C(c1ccncc1Cl)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617704 416478776 /nfs/dbraw/zinc/47/87/76/416478776.db2.gz HGIMPTNVVQLVPH-CYBMUJFWSA-N 0 0 307.741 0.977 50 0 DCAARN O=S(=O)(NC[C@H](CO)Cc1ccco1)N1CCCCC1 ZINC000533697484 416487643 /nfs/dbraw/zinc/48/76/43/416487643.db2.gz QRAABZNZPFSVJE-GFCCVEGCSA-N 0 0 302.396 0.751 50 0 DCAARN Cc1nc(N)ncc1C(=O)N1CCCN(C(=O)C2CCC2)CC1 ZINC000584890243 416516171 /nfs/dbraw/zinc/51/61/71/416516171.db2.gz DDRQAMALQXNFTJ-UHFFFAOYSA-N 0 0 317.393 0.842 50 0 DCAARN CCNc1nc(C)c(C(=O)NC2CCS(=O)(=O)CC2)s1 ZINC000584892554 416516247 /nfs/dbraw/zinc/51/62/47/416516247.db2.gz XXDFESVSUYWQLD-UHFFFAOYSA-N 0 0 317.436 1.190 50 0 DCAARN CC(=O)N1CCC[C@@H](Nc2ccc(-c3nccn3C)nn2)C1 ZINC000584898358 416516965 /nfs/dbraw/zinc/51/69/65/416516965.db2.gz XFGQGCQLXKTLOX-GFCCVEGCSA-N 0 0 300.366 1.300 50 0 DCAARN CN(c1cc([C@H]2CCOC2)nc(NCCO)n1)C1CCOCC1 ZINC000426387312 416762465 /nfs/dbraw/zinc/76/24/65/416762465.db2.gz RHQCRXALCHQCRI-LBPRGKRZSA-N 0 0 322.409 1.000 50 0 DCAARN C[C@H](NC(=O)c1ccc2c(c1)N(C)C(=O)CO2)c1nc(N)n[nH]1 ZINC000426436372 416765831 /nfs/dbraw/zinc/76/58/31/416765831.db2.gz AMRSRVRJSFDBKP-ZETCQYMHSA-N 0 0 316.321 0.233 50 0 DCAARN OC1CN(c2nc(NC3CCCC3)cc([C@@H]3CCOC3)n2)C1 ZINC000426594764 416779214 /nfs/dbraw/zinc/77/92/14/416779214.db2.gz BUUBLSSGDQTCAS-LLVKDONJSA-N 0 0 304.394 1.516 50 0 DCAARN Cn1cc(-c2cncc(CNC(=O)Cn3ncccc3=O)c2)cn1 ZINC000575414836 417535778 /nfs/dbraw/zinc/53/57/78/417535778.db2.gz XFUCJYPYGWTZSO-UHFFFAOYSA-N 0 0 324.344 0.355 50 0 DCAARN Cn1cccc(C(=O)NCc2nc(C3CCOCC3)no2)c1=O ZINC000575606510 417539060 /nfs/dbraw/zinc/53/90/60/417539060.db2.gz KGDNEGPCFZKKBB-UHFFFAOYSA-N 0 0 318.333 0.592 50 0 DCAARN CCNC(=O)NC1(CCOC)CCN(C(=O)COCC)CC1 ZINC000575545987 417539381 /nfs/dbraw/zinc/53/93/81/417539381.db2.gz NSKFSXIHSOJTGL-UHFFFAOYSA-N 0 0 315.414 0.740 50 0 DCAARN COCc1ncc(C)n1CC1CN(C(=O)c2cnccn2)C1 ZINC000575549573 417539660 /nfs/dbraw/zinc/53/96/60/417539660.db2.gz KNTNFXOEXWBSIJ-UHFFFAOYSA-N 0 0 301.350 0.900 50 0 DCAARN Cn1nc(C(=O)N2CCC[C@H](Oc3ccncc3)C2)ccc1=O ZINC000575606296 417539970 /nfs/dbraw/zinc/53/99/70/417539970.db2.gz NSFBQFRWZXPKID-ZDUSSCGKSA-N 0 0 314.345 0.859 50 0 DCAARN COCCC1(NS(C)(=O)=O)CCN(C(=O)C(C)C)CC1 ZINC000575546730 417540405 /nfs/dbraw/zinc/54/04/05/417540405.db2.gz UBTZEZIMIWRGHU-UHFFFAOYSA-N 0 0 306.428 0.589 50 0 DCAARN O=C([C@@H]1CC=CCC1)N1CCC(N2C(=O)COCC2=O)CC1 ZINC000575607596 417540619 /nfs/dbraw/zinc/54/06/19/417540619.db2.gz IWMOUDKTHWENMA-GFCCVEGCSA-N 0 0 306.362 0.719 50 0 DCAARN O=C(NCCOCCN1C(=O)CCC1=O)Nc1nccs1 ZINC000575618476 417541406 /nfs/dbraw/zinc/54/14/06/417541406.db2.gz APKCNNSHXBATAE-UHFFFAOYSA-N 0 0 312.351 0.430 50 0 DCAARN O=C(NCCn1nc(C2CC2)ccc1=O)NC[C@H]1CCCO1 ZINC000575607657 417541632 /nfs/dbraw/zinc/54/16/32/417541632.db2.gz JHNWQHYYKNVKOG-GFCCVEGCSA-N 0 0 306.366 0.599 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cnn(CCF)c1 ZINC000628764911 417687190 /nfs/dbraw/zinc/68/71/90/417687190.db2.gz OVBURYWWNZJZID-SNVBAGLBSA-N 0 0 304.347 0.215 50 0 DCAARN Cc1noc(C)c1CCC(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000652904496 417996232 /nfs/dbraw/zinc/99/62/32/417996232.db2.gz PTMDETRZCMZYCP-UHFFFAOYSA-N 0 0 318.381 0.687 50 0 DCAARN Cc1nc(C)c(S(=O)(=O)N[C@@H]2C(=O)NCC2(C)C)s1 ZINC000660017950 418219205 /nfs/dbraw/zinc/21/92/05/418219205.db2.gz PKRVLOHDROERJC-MRVPVSSYSA-N 0 0 303.409 0.563 50 0 DCAARN O=C(C(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1)c1ccccc1 ZINC000299769737 229420069 /nfs/dbraw/zinc/42/00/69/229420069.db2.gz PQVRZKFHFZXGMU-UONOGXRCSA-N 0 0 312.329 0.833 50 0 DCAARN NC(=O)c1cccnc1N1CCN(C(=O)C2CCOCC2)CC1 ZINC000299779975 229433771 /nfs/dbraw/zinc/43/37/71/229433771.db2.gz QUWOGWPTMZOFHU-UHFFFAOYSA-N 0 0 318.377 0.256 50 0 DCAARN C/C=C/CN1N=C(C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000009059984 273480768 /nfs/dbraw/zinc/48/07/68/273480768.db2.gz MBETWPPFFLYHBE-AATRIKPKSA-N 0 0 302.338 0.206 50 0 DCAARN CCO[C@@H]1C[C@@H](N2CCN(C(=O)C(=O)NC3CC3)CC2)C1(C)C ZINC000095457046 276343767 /nfs/dbraw/zinc/34/37/67/276343767.db2.gz PBBMIRPCSWACDX-ZIAGYGMSSA-N 0 0 323.437 0.613 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccc(F)cc3)C(=O)[C@@]2(C)NN1 ZINC000004371182 277051499 /nfs/dbraw/zinc/05/14/99/277051499.db2.gz JAEWCSWZEVATSH-XPTSAGLGSA-N 0 0 305.265 0.206 50 0 DCAARN COC(=O)[C@H]1CN(c2nc3c(s2)c(C)nn3C)CCN1C ZINC000108416531 277135996 /nfs/dbraw/zinc/13/59/96/277135996.db2.gz QCGXOVJZOYJNNM-SECBINFHSA-N 0 0 309.395 0.632 50 0 DCAARN CC(C)CN(CC(N)=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000052536240 277378456 /nfs/dbraw/zinc/37/84/56/277378456.db2.gz HDKRPAJVMVINFZ-KBPBESRZSA-N 0 0 311.426 0.600 50 0 DCAARN CC(C)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000003463779 277652030 /nfs/dbraw/zinc/65/20/30/277652030.db2.gz PEWKUZSJFPNWGR-MRXNPFEDSA-N 0 0 301.346 0.905 50 0 DCAARN CS(=O)(=O)N1CCc2c1nc(N1CCOCC1)nc2Cl ZINC000091302254 278111741 /nfs/dbraw/zinc/11/17/41/278111741.db2.gz YCIXFNRCKBRWSA-UHFFFAOYSA-N 0 0 318.786 0.289 50 0 DCAARN CC1(C)C[C@@H]1C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCCC1 ZINC000240540917 278372278 /nfs/dbraw/zinc/37/22/78/278372278.db2.gz GQHBUUUWDXBCOG-GRYCIOLGSA-N 0 0 300.424 0.410 50 0 DCAARN C[C@@H](O)C(=O)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 ZINC000071775748 278390687 /nfs/dbraw/zinc/39/06/87/278390687.db2.gz GQEXTVPPVFYWFX-SECBINFHSA-N 0 0 300.318 0.097 50 0 DCAARN CC(C)([NH3+])C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1 ZINC000095369603 278626445 /nfs/dbraw/zinc/62/64/45/278626445.db2.gz HCRFJANKOPFYHC-BDJLRTHQSA-N 0 0 304.346 0.813 50 0 DCAARN CCN(CC)S(=O)(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000058281176 279139970 /nfs/dbraw/zinc/13/99/70/279139970.db2.gz HWPRFESIGRBTBM-ZDUSSCGKSA-N 0 0 311.407 0.485 50 0 DCAARN Cn1cncc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 ZINC000220547190 279390163 /nfs/dbraw/zinc/39/01/63/279390163.db2.gz RXHXHTGTQSKZQS-DGCLKSJQSA-N 0 0 302.334 0.781 50 0 DCAARN COC1CCN(C(=O)NCc2nnnn2-c2ccccc2)CC1 ZINC000548857619 288182435 /nfs/dbraw/zinc/18/24/35/288182435.db2.gz FVSBUIWXRSJYLN-UHFFFAOYSA-N 0 0 316.365 0.983 50 0 DCAARN CN1C(=O)CO[C@H](C(=O)NCCCO)[C@@H]1c1ccc(F)cc1 ZINC000096181755 289816119 /nfs/dbraw/zinc/81/61/19/289816119.db2.gz UXHQXJKXSPEFGS-KBPBESRZSA-N 0 0 310.325 0.223 50 0 DCAARN C[C@@H]1CN(CCS(C)(=O)=O)CC[C@@]1(O)C1CCOCC1 ZINC000092045559 297009054 /nfs/dbraw/zinc/00/90/54/297009054.db2.gz WAHXSSDMDICPND-OCCSQVGLSA-N 0 0 305.440 0.531 50 0 DCAARN Cn1cc([C@@]2(C)CN(c3cnn(C)c(=O)c3Cl)CCO2)cn1 ZINC000089919570 294292429 /nfs/dbraw/zinc/29/24/29/294292429.db2.gz OQZIEPADWJIUJV-CQSZACIVSA-N 0 0 323.784 0.919 50 0 DCAARN NC(=O)c1ccsc1NC(=O)CCC(=O)N1CCOCC1 ZINC000008133466 295192463 /nfs/dbraw/zinc/19/24/63/295192463.db2.gz YAWYXGLJVAUYKJ-UHFFFAOYSA-N 0 0 311.363 0.425 50 0 DCAARN COc1cccc([C@H]2CC(=O)Nc3c2c(=O)nc2[nH]cnn23)c1 ZINC000013544202 295327030 /nfs/dbraw/zinc/32/70/30/295327030.db2.gz SAHLSUNCFGLPFM-SNVBAGLBSA-N 0 0 311.301 0.900 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)NCc2ccccc2-n2cccn2)C1 ZINC000071837328 303331103 /nfs/dbraw/zinc/33/11/03/303331103.db2.gz RNNBCFKPSOAFDL-ZDUSSCGKSA-N 0 0 313.361 0.889 50 0 DCAARN O=c1n(Cc2ncnn2CC(F)F)nnn1-c1ccccc1 ZINC000583420821 332398217 /nfs/dbraw/zinc/39/82/17/332398217.db2.gz ZCLXQMGINBMABB-UHFFFAOYSA-N 0 0 307.264 0.334 50 0 DCAARN CC(C)C(=O)N1CCC[C@H](NS(=O)(=O)N2CCCC2)C1 ZINC000534576078 334287657 /nfs/dbraw/zinc/28/76/57/334287657.db2.gz SNHJRNVXUQVSDZ-LBPRGKRZSA-N 0 0 303.428 0.564 50 0 DCAARN CCc1nccn1CCCNC(=O)[C@H]1NCCc2nc[nH]c21 ZINC000534587342 334292576 /nfs/dbraw/zinc/29/25/76/334292576.db2.gz RMDDCBIHGGYRKV-AWEZNQCLSA-N 0 0 302.382 0.562 50 0 DCAARN CC(C)n1ccnc1CNS(=O)(=O)N1CCN(C)CC1 ZINC000534634794 334308844 /nfs/dbraw/zinc/30/88/44/334308844.db2.gz MOAKPQAEGIYTID-UHFFFAOYSA-N 0 0 301.416 0.046 50 0 DCAARN Cc1nnc(CN(C)C(=O)NCC[C@H](C)N2CCOCC2)o1 ZINC000534650555 334311747 /nfs/dbraw/zinc/31/17/47/334311747.db2.gz VIQTXNMEOIOKNA-NSHDSACASA-N 0 0 311.386 0.630 50 0 DCAARN CO[C@H]1CN(C)C[C@@H]1NC(=O)c1cnc(-c2ccccn2)nc1 ZINC000534651657 334312308 /nfs/dbraw/zinc/31/23/08/334312308.db2.gz ANNDJXIHUQBPKD-KBPBESRZSA-N 0 0 313.361 0.597 50 0 DCAARN Cc1cc([C@H]2CCCN(C(=O)CCNS(C)(=O)=O)C2)[nH]n1 ZINC000084110434 337375837 /nfs/dbraw/zinc/37/58/37/337375837.db2.gz BGEDFIYMMCDUOK-NSHDSACASA-N 0 0 314.411 0.363 50 0 DCAARN O=C(NCCN1CCS(=O)(=O)CC1)C1=CCCCCC1 ZINC000129670674 337383232 /nfs/dbraw/zinc/38/32/32/337383232.db2.gz TVOLINWNBDCVDZ-UHFFFAOYSA-N 0 0 300.424 0.724 50 0 DCAARN Cn1cccc1-c1cc(C(=O)NCCN2CCOC2=O)[nH]n1 ZINC000091269760 527382618 /nfs/dbraw/zinc/38/26/18/527382618.db2.gz KQWDCGAKEDTYHM-UHFFFAOYSA-N 0 0 303.322 0.597 50 0 DCAARN CC(C)=CC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000408523151 527389795 /nfs/dbraw/zinc/38/97/95/527389795.db2.gz PJUFWJYHUHNJGS-UHFFFAOYSA-N 0 0 323.440 0.069 50 0 DCAARN CCN1C[C@H](C)N(S(=O)(=O)CCCC(=O)OC)C[C@H]1C ZINC000390835198 527971449 /nfs/dbraw/zinc/97/14/49/527971449.db2.gz GLTKKUDFURPSKN-NEPJUHHUSA-N 0 0 306.428 0.684 50 0 DCAARN CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(N)=O)cc1 ZINC000408517780 528125820 /nfs/dbraw/zinc/12/58/20/528125820.db2.gz TXZFIZDMKYTUJE-AAEUAGOBSA-N 0 0 312.391 0.419 50 0 DCAARN CCNC(=O)[C@H]1CC[C@@](C)(C(=O)NCCn2cnnc2)C1(C)C ZINC000299760026 528222670 /nfs/dbraw/zinc/22/26/70/528222670.db2.gz PSRDHWODBDYNLF-WBMJQRKESA-N 0 0 321.425 0.973 50 0 DCAARN CCC[C@@H](NC(N)=O)C(=O)N1CCC(Cn2cncn2)CC1 ZINC000331139394 528966432 /nfs/dbraw/zinc/96/64/32/528966432.db2.gz GFLFAOACNBKANW-GFCCVEGCSA-N 0 0 308.386 0.768 50 0 DCAARN C[NH+]1CCC(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000078473441 545680569 /nfs/dbraw/zinc/68/05/69/545680569.db2.gz WWPSQZVFASYMAV-LLVKDONJSA-N 0 0 306.453 0.117 50 0 DCAARN O=C1CCCN1c1ccc(S(=O)(=O)N[C@@H]2CCOC2)cc1 ZINC000082350676 545696698 /nfs/dbraw/zinc/69/66/98/545696698.db2.gz PKXBYOOYJIKFHM-LLVKDONJSA-N 0 0 310.375 0.881 50 0 DCAARN O=S(=O)(CCNCc1c(F)cccc1F)N1CCOCC1 ZINC000084339119 545700569 /nfs/dbraw/zinc/70/05/69/545700569.db2.gz SGJJZGYAOVRWBG-UHFFFAOYSA-N 0 0 320.361 0.716 50 0 DCAARN CC(=O)N1CCCN(C(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC000084718330 545702888 /nfs/dbraw/zinc/70/28/88/545702888.db2.gz QQTHKEUTWKXVQE-UHFFFAOYSA-N 0 0 303.362 0.558 50 0 DCAARN COC(=O)CNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 ZINC000206908803 545936364 /nfs/dbraw/zinc/93/63/64/545936364.db2.gz KZDUFSRXXIPTOY-PTRXPTGYSA-N 0 0 315.395 0.001 50 0 DCAARN O=C(c1cccc(S(=O)(=O)NC[C@H]2CCOC2)c1)N1CCC1 ZINC000215758397 545937619 /nfs/dbraw/zinc/93/76/19/545937619.db2.gz JTVHVFHGZJQXBR-GFCCVEGCSA-N 0 0 324.402 0.847 50 0 DCAARN O=C(Cn1nc2ccccc2n1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000216034816 545939057 /nfs/dbraw/zinc/93/90/57/545939057.db2.gz XNTYIWFMRSUVQO-NSHDSACASA-N 0 0 311.349 0.956 50 0 DCAARN Cc1nn[nH]c1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 ZINC000222639117 545941642 /nfs/dbraw/zinc/94/16/42/545941642.db2.gz OQJUYOJFKDBOPT-CHWSQXEVSA-N 0 0 317.349 0.612 50 0 DCAARN COC[C@@H](NC(=O)Cn1c(C)cc(C)nc1=O)c1ccccn1 ZINC000222630318 545942020 /nfs/dbraw/zinc/94/20/20/545942020.db2.gz VRXVVFMGXRJHAY-CQSZACIVSA-N 0 0 316.361 0.759 50 0 DCAARN CC(C)[C@H](Nc1nc2c(cnn2C)c(=O)[nH]1)C(=O)N1CCCC1 ZINC000584908193 546302707 /nfs/dbraw/zinc/30/27/07/546302707.db2.gz PDKRAMUVNLYGND-NSHDSACASA-N 0 0 318.381 1.128 50 0 DCAARN CO[C@@H](C)c1nsc(NCC2(C(N)=O)CCOCC2)n1 ZINC000669823329 547019894 /nfs/dbraw/zinc/01/98/94/547019894.db2.gz XIKJEWUPIQPCQE-QMMMGPOBSA-N 0 0 300.384 0.940 50 0 DCAARN Cc1nc(S(=O)(=O)NCCCc2csc(N)n2)cn1C ZINC000670441152 547090892 /nfs/dbraw/zinc/09/08/92/547090892.db2.gz ADGBZACKXGMLAH-UHFFFAOYSA-N 0 0 315.424 0.678 50 0 DCAARN CCOCC(=O)N1CCC(C(=O)N(C)C[C@@H]2CCOC2)CC1 ZINC000670441105 547091078 /nfs/dbraw/zinc/09/10/78/547091078.db2.gz VAWFSNVJBSRQBM-ZDUSSCGKSA-N 0 0 312.410 0.756 50 0 DCAARN Cc1nn(CCO)cc1CN1CCN(C(=O)C2CCC2)CC1 ZINC000670449448 547094429 /nfs/dbraw/zinc/09/44/29/547094429.db2.gz VLYJSJQPFMULBJ-UHFFFAOYSA-N 0 0 306.410 0.628 50 0 DCAARN O=C(c1cncc(N2CCO[C@H](C3CC3)C2)n1)N1CCOCC1 ZINC000670460780 547099453 /nfs/dbraw/zinc/09/94/53/547099453.db2.gz AAGAEFJWDFNUQP-AWEZNQCLSA-N 0 0 318.377 0.564 50 0 DCAARN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)C2CC(C)(O)C2)cn1 ZINC000685940123 548745569 /nfs/dbraw/zinc/74/55/69/548745569.db2.gz SKDHGBYLUXWUQV-HFAULKRZSA-N 0 0 309.366 0.326 50 0 DCAARN Cc1cc(C(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)ccn1 ZINC000685941970 548747199 /nfs/dbraw/zinc/74/71/99/548747199.db2.gz FPJLPOJHQFHRDK-BFHYXJOUSA-N 0 0 315.377 0.803 50 0 DCAARN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)/C=C(\C)C3CC3)C2)C1 ZINC000685943353 548747962 /nfs/dbraw/zinc/74/79/62/548747962.db2.gz ZVTMJQQDUANGGO-SBKJXLNCSA-N 0 0 305.378 0.148 50 0 DCAARN Cc1cc(NC(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)nnc1C ZINC000328595893 563959963 /nfs/dbraw/zinc/95/99/63/563959963.db2.gz JIJUASJYPGRAQP-ABAIWWIYSA-N 0 0 306.366 1.505 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCCNC(=O)C2)cc1Cl ZINC000074835865 657463297 /nfs/dbraw/zinc/46/32/97/657463297.db2.gz BSUWDANNIUJPSV-UHFFFAOYSA-N 0 0 318.782 0.859 50 0 DCAARN CNC(=O)NC(=O)COC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000096477246 658613572 /nfs/dbraw/zinc/61/35/72/658613572.db2.gz ZCDRZVMDYDUGQN-WAYWQWQTSA-N 0 0 307.262 0.607 50 0 DCAARN NC(=O)[C@H]1CN(C(=O)c2ccncc2C(F)(F)F)CCO1 ZINC000192198092 659413980 /nfs/dbraw/zinc/41/39/80/659413980.db2.gz IQYGBRYKIKCXGC-SECBINFHSA-N 0 0 303.240 0.427 50 0 DCAARN COc1ccc(S(=O)(=O)N2CC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000585088804 661465403 /nfs/dbraw/zinc/46/54/03/661465403.db2.gz SRUDOPSOXIMGOH-SNVBAGLBSA-N 0 0 308.363 0.992 50 0 DCAARN O=C([O-])[C@H]1CCC[N@@H+](C2CCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)C1 ZINC000426699906 661695948 /nfs/dbraw/zinc/69/59/48/661695948.db2.gz JMEANWRBXWZILQ-JTQLQIEISA-N 0 0 322.365 0.517 50 0 DCAARN O=C(NC[C@H]1CCCS1(=O)=O)c1ccc(N2CCCC2)nn1 ZINC000153275938 664808103 /nfs/dbraw/zinc/80/81/03/664808103.db2.gz RTMMKDIMBXSQBQ-LLVKDONJSA-N 0 0 324.406 0.384 50 0 DCAARN Cc1onc(NC(=O)N2CCC[C@](O)(CC(=O)N(C)C)C2)c1C ZINC000585088709 666171396 /nfs/dbraw/zinc/17/13/96/666171396.db2.gz YBNNXGMUGKGCRL-HNNXBMFYSA-N 0 0 324.381 1.129 50 0 DCAARN CN1CCN(C(=O)[C@@H]2CCN(c3ccccc3)C2=O)CC1=O ZINC000011844461 666232252 /nfs/dbraw/zinc/23/22/52/666232252.db2.gz DVTZWZPRLNTKID-ZDUSSCGKSA-N 0 0 301.346 0.340 50 0 DCAARN COc1ccc(C(=O)N2CCc3nncn3CC2)c(OC)n1 ZINC000012184172 666358656 /nfs/dbraw/zinc/35/86/56/666358656.db2.gz DVWAFLUXHGVELZ-UHFFFAOYSA-N 0 0 303.322 0.389 50 0 DCAARN CN1CC(=O)N(CC(=O)N(CCO)Cc2ccccc2F)C1=O ZINC000952964678 685597957 /nfs/dbraw/zinc/59/79/57/685597957.db2.gz BEWRYYIILYBGCR-UHFFFAOYSA-N 0 0 323.324 0.041 50 0 DCAARN CCN(C(=O)/C=C/c1cnc(N(C)C)nc1)[C@H]1COC[C@@H]1O ZINC000952963897 685598438 /nfs/dbraw/zinc/59/84/38/685598438.db2.gz JYHQORFNPNGLTF-AAAGKOELSA-N 0 0 306.366 0.164 50 0 DCAARN COCCN(Cc1cccnc1)C(=O)Cn1nc(C)cc1N ZINC000952975914 685600269 /nfs/dbraw/zinc/60/02/69/685600269.db2.gz UPAPZCNBRIHJIY-UHFFFAOYSA-N 0 0 303.366 0.844 50 0 DCAARN CCc1nc(S(=O)(=O)N(CC)CCN2CCOCC2)c[nH]1 ZINC000952977114 685600918 /nfs/dbraw/zinc/60/09/18/685600918.db2.gz AWSPHCFROTWWDJ-UHFFFAOYSA-N 0 0 316.427 0.315 50 0 DCAARN Cc1nnc(CN2CCC[C@@H](CNC(=O)c3cncn3C)C2)o1 ZINC000952980152 685601107 /nfs/dbraw/zinc/60/11/07/685601107.db2.gz VPFBVGVCEIEISI-LBPRGKRZSA-N 0 0 318.381 0.754 50 0 DCAARN CS(=O)(=O)CCN1CCC(CNC(=O)CC2CC2)CC1 ZINC000952988227 685602718 /nfs/dbraw/zinc/60/27/18/685602718.db2.gz MYPFBINLCWEFIU-UHFFFAOYSA-N 0 0 302.440 0.659 50 0 DCAARN CCN1C[C@H](C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)CC1=O ZINC000952981850 685601555 /nfs/dbraw/zinc/60/15/55/685601555.db2.gz DTIWFZPMDCWXMF-SECBINFHSA-N 0 0 316.321 0.799 50 0 DCAARN Cc1noc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(CC(N)=O)C2)n1 ZINC000952990926 685602887 /nfs/dbraw/zinc/60/28/87/685602887.db2.gz MZJTUMKYWACOQI-NEPJUHHUSA-N 0 0 321.381 0.239 50 0 DCAARN CN1CC(=O)N2CCN(Cc3ccc(Cl)s3)C[C@@H]2C1=O ZINC000014744807 685049262 /nfs/dbraw/zinc/04/92/62/685049262.db2.gz RCCKXNAISZMUSJ-SNVBAGLBSA-N 0 0 313.810 0.886 50 0 DCAARN COCc1noc(Cc2nc3c([nH]2)C(=O)NCC(C)(C)C3)n1 ZINC000065393485 685063502 /nfs/dbraw/zinc/06/35/02/685063502.db2.gz ZZSDKASLTFKJRF-UHFFFAOYSA-N 0 0 305.338 0.842 50 0 DCAARN Cc1nc(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@]3(C(=O)[O-])C2)cs1 ZINC000091486609 685104418 /nfs/dbraw/zinc/10/44/18/685104418.db2.gz YCCKOLINMBHYIK-HZMBPMFUSA-N 0 0 309.391 0.930 50 0 DCAARN CN(C)c1nc(N2CCC(c3nc(N)n[nH]3)CC2)ncc1F ZINC001772704926 1157842659 /nfs/dbraw/zinc/84/26/59/1157842659.db2.gz NLOZISRVSMGXJW-UHFFFAOYSA-N 0 0 306.349 0.766 50 0 DCAARN O=C(CCc1[nH]nc2c1CCCC2)N1CCC([C@@H](O)CO)CC1 ZINC001772704011 1157843089 /nfs/dbraw/zinc/84/30/89/1157843089.db2.gz HRAUDJYLDJCZFS-INIZCTEOSA-N 0 0 321.421 0.813 50 0 DCAARN O=C(c1nnc2n1CCCCC2)N1CCC([C@H](O)CO)CC1 ZINC001772708841 1157846441 /nfs/dbraw/zinc/84/64/41/1157846441.db2.gz KOUGRCQJRGNWRY-GFCCVEGCSA-N 0 0 308.382 0.210 50 0 DCAARN CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccsc1 ZINC001704300608 1179966430 /nfs/dbraw/zinc/96/64/30/1179966430.db2.gz ZLSXKDDVBFTYHJ-QWRGUYRKSA-N 0 0 318.420 0.384 50 0 DCAARN CN1C(=O)[C@H]2COC[C@@H]1C[N@@H+](Cc1cccc(C(=O)[O-])c1)C2 ZINC001704304939 1179968021 /nfs/dbraw/zinc/96/80/21/1179968021.db2.gz PENHOEGVDMGPNB-KGLIPLIRSA-N 0 0 304.346 0.674 50 0 DCAARN Cc1nc(CN(CCO)C(=O)CCCN2CCCCC2=O)c[nH]1 ZINC001704314400 1179971255 /nfs/dbraw/zinc/97/12/55/1179971255.db2.gz PPWIPGBPOYFTSX-UHFFFAOYSA-N 0 0 322.409 0.832 50 0 DCAARN Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[N@H+](CC(=O)[O-])C3)c(C)o1 ZINC001704325860 1179973723 /nfs/dbraw/zinc/97/37/23/1179973723.db2.gz VDQCGOCDQNQGFL-OLZOCXBDSA-N 0 0 322.361 0.754 50 0 DCAARN CCc1ncnc(N2C[C@@H]3COC[C@H](C2)[N@H+](CC(=O)[O-])C3)c1F ZINC001704330050 1179975090 /nfs/dbraw/zinc/97/50/90/1179975090.db2.gz VEQWHIDIIZNHMZ-MNOVXSKESA-N 0 0 324.356 0.400 50 0 DCAARN CC(C)(C)CCCNC(=O)c1cc2n(n1)C[C@@H](O)CNC2=O ZINC001704347170 1179981214 /nfs/dbraw/zinc/98/12/14/1179981214.db2.gz IEXUFWJMDOMIAB-JTQLQIEISA-N 0 0 308.382 0.544 50 0 DCAARN Cc1nccn1CC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 ZINC001704348273 1179981870 /nfs/dbraw/zinc/98/18/70/1179981870.db2.gz DXSQCCVVXXTOQK-CABCVRRESA-N 0 0 300.362 0.960 50 0 DCAARN Cc1c(C(=O)N2C[C@@H](Cc3ccncc3)[C@H](O)C2)cnn1C ZINC001704351524 1179983444 /nfs/dbraw/zinc/98/34/44/1179983444.db2.gz ZNFNBVZYJBLJRA-UKRRQHHQSA-N 0 0 300.362 0.799 50 0 DCAARN C[C@H](Cn1cncn1)NC(=O)c1cn2c3c(cccc3c1=O)CC2 ZINC001704357649 1179984105 /nfs/dbraw/zinc/98/41/05/1179984105.db2.gz VBTCANUMPPADOC-LLVKDONJSA-N 0 0 323.356 0.968 50 0 DCAARN CN(CC(=O)Nc1ccc(C(N)=O)cc1)C[C@H]1COCCO1 ZINC001704357043 1179984730 /nfs/dbraw/zinc/98/47/30/1179984730.db2.gz DQLVBXGMCDFLHE-ZDUSSCGKSA-N 0 0 307.350 0.071 50 0 DCAARN COC(=O)[C@H](CO)NC(=O)C1=C(c2ccccc2)SCCO1 ZINC000585120838 747785752 /nfs/dbraw/zinc/78/57/52/747785752.db2.gz OLOLHFGDVCKXLX-NSHDSACASA-N 0 0 323.370 0.769 50 0 DCAARN Cc1nc(CO[C@H]2CCCN(S(=O)(=O)N(C)C)C2)no1 ZINC000675017834 748026368 /nfs/dbraw/zinc/02/63/68/748026368.db2.gz ZIGGQLRSEWKWEF-JTQLQIEISA-N 0 0 304.372 0.165 50 0 DCAARN CCOc1ccccc1C(=O)N1[C@@H](C)C(=O)N(C)C[C@H]1CO ZINC000675020651 748027655 /nfs/dbraw/zinc/02/76/55/748027655.db2.gz DYZQIDMDHVCNJB-RYUDHWBXSA-N 0 0 306.362 0.749 50 0 DCAARN CCc1nc(S(=O)(=O)NC[C@H]2CC(=O)N(CC)C2)c[nH]1 ZINC000823102703 758223149 /nfs/dbraw/zinc/22/31/49/758223149.db2.gz WXQVPHHBVOHGLM-SECBINFHSA-N 0 0 300.384 0.119 50 0 DCAARN Cn1c(CNS(=O)(=O)N2CCN(C)CC2)nc2ccccc21 ZINC000823791262 758276249 /nfs/dbraw/zinc/27/62/49/758276249.db2.gz PKJVCSPVQRXJCO-UHFFFAOYSA-N 0 0 323.422 0.155 50 0 DCAARN COCC1(CNC(=O)C[C@H]2C(=O)NCCN2C(C)C)CCC1 ZINC000824346680 758770704 /nfs/dbraw/zinc/77/07/04/758770704.db2.gz BECDIOHVBDKFMW-ZDUSSCGKSA-N 0 0 311.426 0.518 50 0 DCAARN CC(C)(O)Cn1nc(CC(N)=O)nc1COCc1ccccc1 ZINC000826842163 758845646 /nfs/dbraw/zinc/84/56/46/758845646.db2.gz NAQHVHHWDBTJLT-UHFFFAOYSA-N 0 0 318.377 0.794 50 0 DCAARN CN(C)c1ncc(C=CC(=O)NCCSc2nc[nH]n2)cn1 ZINC000827603756 758871372 /nfs/dbraw/zinc/87/13/72/758871372.db2.gz BPRFHKYWWCXWNA-ONEGZZNKSA-N 0 0 319.394 0.582 50 0 DCAARN Cc1nnnn1-c1cccc(NC(=O)[C@@H](C)N2CCCC2=O)c1 ZINC000827636166 758872296 /nfs/dbraw/zinc/87/22/96/758872296.db2.gz XXMQKIYZASWBRZ-SNVBAGLBSA-N 0 0 314.349 0.920 50 0 DCAARN Cc1nnnn1CCC(=O)NCc1noc(-c2cccs2)n1 ZINC000827822504 758888195 /nfs/dbraw/zinc/88/81/95/758888195.db2.gz XEACWCJXJQWYKB-UHFFFAOYSA-N 0 0 319.350 0.800 50 0 DCAARN CCn1nccc1C(=O)N1CCC2(CC1)N(C)C(=O)C[S@]2=O ZINC000581794114 760252750 /nfs/dbraw/zinc/25/27/50/760252750.db2.gz PMHWEXTVMQUPBI-JOCHJYFZSA-N 0 0 324.406 0.056 50 0 DCAARN Cn1cnnc1-c1nn(C)c2c1CN(C(=O)[C@H]1CCOC1)CC2 ZINC000581791212 760252769 /nfs/dbraw/zinc/25/27/69/760252769.db2.gz WNUKFTAIAHSACF-JTQLQIEISA-N 0 0 316.365 0.137 50 0 DCAARN CCN(CC)C(=O)N1CC(n2cc(C(=O)NCC3CC3)nn2)C1 ZINC000581810675 760255155 /nfs/dbraw/zinc/25/51/55/760255155.db2.gz KONPPOOWJNJRMD-UHFFFAOYSA-N 0 0 320.397 0.736 50 0 DCAARN CCCS(=O)(=O)N1CC(n2cnnc2[C@H]2CCCO2)C1 ZINC000581815162 760256410 /nfs/dbraw/zinc/25/64/10/760256410.db2.gz VLGSMDPETJCWSS-LLVKDONJSA-N 0 0 300.384 0.726 50 0 DCAARN Cc1cc(C)nc(O[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 ZINC000585340013 768080453 /nfs/dbraw/zinc/08/04/53/768080453.db2.gz MDHOTAXOPNFJKI-GFCCVEGCSA-N 0 0 314.411 0.743 50 0 DCAARN CS(=O)(=O)N1CCC(Cn2cnc(C3CC3)cc2=O)CC1 ZINC000585632862 768082190 /nfs/dbraw/zinc/08/21/90/768082190.db2.gz YAXPBXLOWSLERA-UHFFFAOYSA-N 0 0 311.407 0.792 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1ccc(O)c(F)c1 ZINC000584908680 766238031 /nfs/dbraw/zinc/23/80/31/766238031.db2.gz RQKASZIUIASRTH-JTQLQIEISA-N 0 0 316.354 0.815 50 0 DCAARN COC(=O)c1ccc(NS(=O)(=O)C[C@H]2CCCO2)c(=O)[nH]1 ZINC000585080795 766268084 /nfs/dbraw/zinc/26/80/84/766268084.db2.gz CYRONMBDKMEDDR-MRVPVSSYSA-N 0 0 316.335 0.495 50 0 DCAARN C[C@@H]1CCCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 ZINC000585090328 766278637 /nfs/dbraw/zinc/27/86/37/766278637.db2.gz GMERVXYHTQYFFU-YPMHNXCESA-N 0 0 323.368 0.960 50 0 DCAARN O=S(=O)(c1cc(F)cc(Cl)c1)N1CCOC[C@H]1CO ZINC000585114803 766283832 /nfs/dbraw/zinc/28/38/32/766283832.db2.gz AIUMUIBWKBUVDE-SNVBAGLBSA-N 0 0 309.746 0.861 50 0 DCAARN COc1ccnc(CN2CCN(C)[C@H](c3nc(C)no3)C2)n1 ZINC000585117538 766286476 /nfs/dbraw/zinc/28/64/76/766286476.db2.gz KBHAJZZBKXKVAP-NSHDSACASA-N 0 0 304.354 0.665 50 0 DCAARN CCCCCOCC(=O)N1CCN(c2nnc(C)n2C)CC1 ZINC000585127185 766289833 /nfs/dbraw/zinc/28/98/33/766289833.db2.gz SCMAJMQQEPWCGY-UHFFFAOYSA-N 0 0 309.414 0.979 50 0 DCAARN COC[C@H](O)CNC(=O)Nc1cc(N(C)C)n2nc(C)cc2n1 ZINC000585135683 766292790 /nfs/dbraw/zinc/29/27/90/766292790.db2.gz WTUBSRXNWSAXJV-SNVBAGLBSA-N 0 0 322.369 0.233 50 0 DCAARN NC(=O)Cc1nc(-c2n[nH]c3c2CCC3)n(-c2cccnc2)n1 ZINC000952873623 768937051 /nfs/dbraw/zinc/93/70/51/768937051.db2.gz MMCANJCWQWXUBH-UHFFFAOYSA-N 0 0 309.333 0.569 50 0 DCAARN C[C@H]1C(=O)NCC2(COC2)N1C(=O)c1scnc1Cl ZINC000952881890 768947889 /nfs/dbraw/zinc/94/78/89/768947889.db2.gz NULAMAJUCBRNAI-LURJTMIESA-N 0 0 301.755 0.526 50 0 DCAARN C[C@@H](CNC(=O)Cn1nnc(N)n1)COCc1ccccc1 ZINC000952884009 768952036 /nfs/dbraw/zinc/95/20/36/768952036.db2.gz QZYBCWXNZKIYBZ-NSHDSACASA-N 0 0 304.354 0.224 50 0 DCAARN O=C(CCn1cnnc1)Nc1ccc(Oc2nn[nH]n2)cc1 ZINC000952860007 775841688 /nfs/dbraw/zinc/84/16/88/775841688.db2.gz CEUVROGRNSNUEZ-UHFFFAOYSA-N 0 0 300.282 0.612 50 0 DCAARN COC1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1 ZINC001529191709 1014517659 /nfs/dbraw/zinc/51/76/59/1014517659.db2.gz CRKNXVSKRBXWSB-CVEARBPZSA-N 0 0 318.373 0.880 50 0 DCAARN CC[C@@H](CO)N(Cc1ccccn1)C(=O)CNC(=O)N(C)C ZINC001506406276 1017256050 /nfs/dbraw/zinc/25/60/50/1017256050.db2.gz ZNSHTTXHFDKNSX-ZDUSSCGKSA-N 0 0 308.382 0.452 50 0 DCAARN Cc1ncnc(N2CCN(C(=O)CNC(=O)N(C)C)CC2)c1C ZINC001506399555 1017256237 /nfs/dbraw/zinc/25/62/37/1017256237.db2.gz HOUVRAQPTBXQCH-UHFFFAOYSA-N 0 0 320.397 0.013 50 0 DCAARN CC(=O)N1CCN(c2nnc(C)c3ccccc32)C[C@H](O)C1 ZINC001506414633 1017263567 /nfs/dbraw/zinc/26/35/67/1017263567.db2.gz RMQQZLBQAJCBLC-CYBMUJFWSA-N 0 0 300.362 0.968 50 0 DCAARN COc1ccc(-n2cnnc2)cc1NC(=O)CCS(C)(=O)=O ZINC001506423509 1017265919 /nfs/dbraw/zinc/26/59/19/1017265919.db2.gz FSNNZOYQVYHVBO-UHFFFAOYSA-N 0 0 324.362 0.649 50 0 DCAARN CC(=O)Nc1nonc1NC(=O)CCN1CCCCCC1=O ZINC001506430707 1017271094 /nfs/dbraw/zinc/27/10/94/1017271094.db2.gz BOPXWWXABHCZKF-UHFFFAOYSA-N 0 0 309.326 0.759 50 0 DCAARN C[C@H]1CN(C(=O)Cn2ncc(N3CCCC3)cc2=O)CCCO1 ZINC000095497988 185374553 /nfs/dbraw/zinc/37/45/53/185374553.db2.gz MKHOJIOTGQPJQH-ZDUSSCGKSA-N 0 0 320.393 0.481 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)cc1 ZINC000044910750 290629802 /nfs/dbraw/zinc/62/98/02/290629802.db2.gz BXWODIQGKAEIJW-MNOVXSKESA-N 0 0 312.391 0.844 50 0 DCAARN O=C(NCc1nc[nH]n1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000078914928 185128508 /nfs/dbraw/zinc/12/85/08/185128508.db2.gz UPLBOBYURYYKHX-UHFFFAOYSA-N 0 0 312.333 0.600 50 0 DCAARN CCN1C(=O)C[C@@H](Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)C1=O ZINC000096839884 185389203 /nfs/dbraw/zinc/38/92/03/185389203.db2.gz OWQIAKCWXCXJNP-LDYMZIIASA-N 0 0 303.318 0.965 50 0 DCAARN O=C(/C=C\c1ccco1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000096904779 185390748 /nfs/dbraw/zinc/39/07/48/185390748.db2.gz QUXRWPNIMLQUAT-WAYWQWQTSA-N 0 0 303.362 0.716 50 0 DCAARN CCOC[C@H](C(=O)OC)N(C)CCn1c(C)csc1=O ZINC000089986663 185275024 /nfs/dbraw/zinc/27/50/24/185275024.db2.gz GGRGXMGOVOUHDN-LLVKDONJSA-N 0 0 302.396 0.728 50 0 DCAARN Cn1ncc(N2CCN(c3nnc(C4CCC4)o3)CC2)cc1=O ZINC000095391967 185351723 /nfs/dbraw/zinc/35/17/23/185351723.db2.gz XFGKGBVOJNAPAP-UHFFFAOYSA-N 0 0 316.365 0.757 50 0 DCAARN CCOC(=O)Cn1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O ZINC000012361246 190636150 /nfs/dbraw/zinc/63/61/50/190636150.db2.gz CKYIHYUDFWUFHI-UHFFFAOYSA-N 0 0 320.305 0.121 50 0 DCAARN Cn1ncc2c1ncn([C@H]1CCN(CC(F)(F)F)C1=O)c2=O ZINC000095398433 185353410 /nfs/dbraw/zinc/35/34/10/185353410.db2.gz WJYFPXGPWOAPIZ-QMMMGPOBSA-N 0 0 315.255 0.466 50 0 DCAARN Cc1nnnn1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000095412987 185357947 /nfs/dbraw/zinc/35/79/47/185357947.db2.gz KZMBSDFGLHWOKD-UHFFFAOYSA-N 0 0 320.784 0.984 50 0 DCAARN COCCCn1ccc(NC(=O)N(C)CC(C)(CO)CO)n1 ZINC000095446543 185367708 /nfs/dbraw/zinc/36/77/08/185367708.db2.gz SNWDMYDPLFUNCJ-UHFFFAOYSA-N 0 0 314.386 0.374 50 0 DCAARN O=C(CN1CCN(c2ccccn2)CC1)NC1(CCO)CCC1 ZINC000095451268 185369066 /nfs/dbraw/zinc/36/90/66/185369066.db2.gz ZEENNTYXTVWYFV-UHFFFAOYSA-N 0 0 318.421 0.625 50 0 DCAARN C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000095451714 185369313 /nfs/dbraw/zinc/36/93/13/185369313.db2.gz ZQWPKSKIFFXCQZ-SNVBAGLBSA-N 0 0 316.354 0.039 50 0 DCAARN NS(=O)(=O)CC1CCN(Cc2nc(C3CC3)no2)CC1 ZINC000095441997 185366633 /nfs/dbraw/zinc/36/66/33/185366633.db2.gz KGGPEVPDCUOLTO-UHFFFAOYSA-N 0 0 300.384 0.448 50 0 DCAARN O=C(NC[C@H]1COC2(CCCC2)O1)N[C@H]1CCS(=O)(=O)C1 ZINC000095459420 185370595 /nfs/dbraw/zinc/37/05/95/185370595.db2.gz CDKVLHDEMUPYMR-QWRGUYRKSA-N 0 0 318.395 0.158 50 0 DCAARN CN1CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)CC1=O ZINC000095464939 185371439 /nfs/dbraw/zinc/37/14/39/185371439.db2.gz SNUFVQNJALTANM-UHFFFAOYSA-N 0 0 302.334 0.437 50 0 DCAARN Cc1cc(F)cc(C(=O)N(CCO)CCN2CCOCC2)c1 ZINC000097021885 185398581 /nfs/dbraw/zinc/39/85/81/185398581.db2.gz JOWYJMISHFVCBI-UHFFFAOYSA-N 0 0 310.369 0.901 50 0 DCAARN COCCN(CCOC)S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000095468355 185372401 /nfs/dbraw/zinc/37/24/01/185372401.db2.gz BHZJDRSDMVAGLV-UHFFFAOYSA-N 0 0 317.411 0.503 50 0 DCAARN CNC(=O)CNC(=O)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000095469720 185372523 /nfs/dbraw/zinc/37/25/23/185372523.db2.gz LWHHANRHMILIED-CQSZACIVSA-N 0 0 305.359 0.478 50 0 DCAARN O=C(Cn1cc(CCCO)c(C(F)(F)F)n1)N1CCOCC1 ZINC000097047981 185403083 /nfs/dbraw/zinc/40/30/83/185403083.db2.gz HHMUCWFJTQUELV-UHFFFAOYSA-N 0 0 321.299 0.686 50 0 DCAARN C[C@@H](C1CC1)N(C)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O ZINC000025472301 190650139 /nfs/dbraw/zinc/65/01/39/190650139.db2.gz UNNVGDWXWKIFDZ-JTQLQIEISA-N 0 0 301.346 0.947 50 0 DCAARN CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)/C=C/c1ccccc1 ZINC000027026725 190653679 /nfs/dbraw/zinc/65/36/79/190653679.db2.gz UFDWWHBIERTZBU-VFNNOXKTSA-N 0 0 316.357 0.980 50 0 DCAARN Cc1nnc2n1C[C@H](NC(=O)c1cnc3ccccn3c1=O)CC2 ZINC000065575867 282362843 /nfs/dbraw/zinc/36/28/43/282362843.db2.gz SUHOEGWIVUDWDH-LLVKDONJSA-N 0 0 324.344 0.339 50 0 DCAARN COCCNC(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000170609763 197790053 /nfs/dbraw/zinc/79/00/53/197790053.db2.gz WAEARGHPYKDJAM-JTQLQIEISA-N 0 0 315.395 0.683 50 0 DCAARN CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](C)O ZINC000170624225 197794565 /nfs/dbraw/zinc/79/45/65/197794565.db2.gz BEOCHBKJYHNUTK-SNVBAGLBSA-N 0 0 323.397 0.796 50 0 DCAARN COc1cc2[nH]c(=O)c(C(=O)NCCC[NH3+])c([O-])c2cc1OC ZINC000170624598 197794386 /nfs/dbraw/zinc/79/43/86/197794386.db2.gz OUOKIBYJZGNTII-UHFFFAOYSA-N 0 0 321.333 0.330 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)c2ccccc2F)CC1 ZINC000069814816 190822658 /nfs/dbraw/zinc/82/26/58/190822658.db2.gz AOCRKVKLKYPVRS-CYBMUJFWSA-N 0 0 310.369 0.981 50 0 DCAARN CCCCC1(CN2CCCCCC2=O)C(=O)NC(=O)NC1=O ZINC000006264605 282643718 /nfs/dbraw/zinc/64/37/18/282643718.db2.gz LGYVGPUUARBBEQ-UHFFFAOYSA-N 0 0 309.366 0.932 50 0 biogenic DCAARN COC(=O)C1(C(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000071415600 190968049 /nfs/dbraw/zinc/96/80/49/190968049.db2.gz WEMILGYLOHEZGT-GFCCVEGCSA-N 0 0 320.320 0.778 50 0 DCAARN CCOCC(=O)NCc1cc2c(=O)n(CC)cc-2[nH]c1OC ZINC000071753505 191023796 /nfs/dbraw/zinc/02/37/96/191023796.db2.gz AGFQFHCQAYJPPC-UHFFFAOYSA-N 0 0 307.350 0.719 50 0 DCAARN CCNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000071754898 191024385 /nfs/dbraw/zinc/02/43/85/191024385.db2.gz NXMCKALXXZKJFK-JTQLQIEISA-N 0 0 300.380 0.986 50 0 DCAARN O=C(CCCn1cnnn1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000071759328 191025659 /nfs/dbraw/zinc/02/56/59/191025659.db2.gz GYXRXIRUEJNJNO-GFCCVEGCSA-N 0 0 306.370 0.067 50 0 DCAARN COC[C@@H](C)NC(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000072083770 191034937 /nfs/dbraw/zinc/03/49/37/191034937.db2.gz WDIJJWHOLVRQQA-GFCCVEGCSA-N 0 0 305.378 0.905 50 0 DCAARN CNc1ncc(CN(C)S(=O)(=O)NCc2ccccc2)cn1 ZINC000072140414 191048415 /nfs/dbraw/zinc/04/84/15/191048415.db2.gz NWCXCIFXAPGHBQ-UHFFFAOYSA-N 0 0 321.406 0.985 50 0 DCAARN NC(=O)c1cc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)ccn1 ZINC000072284456 191103907 /nfs/dbraw/zinc/10/39/07/191103907.db2.gz RQKYBWUAZLGKAJ-GFCCVEGCSA-N 0 0 318.377 0.256 50 0 DCAARN NS(=O)(=O)[C@H]1CCCN(C(=O)CN2CCc3ccccc32)C1 ZINC000072293132 191110174 /nfs/dbraw/zinc/11/01/74/191110174.db2.gz MMNBCCYMRXZLHB-ZDUSSCGKSA-N 0 0 323.418 0.329 50 0 DCAARN COC(=O)c1cn(-c2cccc3nonc32)cc2c(=O)[nH]nc1-2 ZINC000253414648 186310548 /nfs/dbraw/zinc/31/05/48/186310548.db2.gz YCEHJJJQDWMEPZ-UHFFFAOYSA-N 0 0 311.257 0.988 50 0 DCAARN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072313343 191119620 /nfs/dbraw/zinc/11/96/20/191119620.db2.gz XFFRJBWLQGUSNV-NXEZZACHSA-N 0 0 300.384 0.053 50 0 DCAARN CCNS(=O)(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000172449033 198097985 /nfs/dbraw/zinc/09/79/85/198097985.db2.gz WDBUIPGQZBNFRS-UHFFFAOYSA-N 0 0 311.407 0.753 50 0 DCAARN CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)CC1 ZINC000072411750 191153687 /nfs/dbraw/zinc/15/36/87/191153687.db2.gz PACCTTZXPYRQIP-ZDUSSCGKSA-N 0 0 317.455 0.212 50 0 DCAARN CNc1cc(C(=O)N2CC[C@H]3[NH2+]CCC[C@]3(C(=O)[O-])C2)ccn1 ZINC000072409719 191154158 /nfs/dbraw/zinc/15/41/58/191154158.db2.gz OLMLWWCKECCARC-WBMJQRKESA-N 0 0 318.377 0.792 50 0 DCAARN COc1ccc2nnc(CCC(=O)Nc3cnn(C)c3)n2n1 ZINC000072404229 191152062 /nfs/dbraw/zinc/15/20/62/191152062.db2.gz WIBLHPQKJQYPEW-UHFFFAOYSA-N 0 0 301.310 0.438 50 0 DCAARN Cc1nn(C)c2ncnc(N(C)C[C@@H](C)N3CCOCC3)c12 ZINC000072423388 191158400 /nfs/dbraw/zinc/15/84/00/191158400.db2.gz DZZADMURVGPWEZ-LLVKDONJSA-N 0 0 304.398 0.829 50 0 DCAARN O=C([O-])[C@]12C[NH2+]C[C@H]1C(=O)N(Cc1noc(C3CCCC3)n1)C2 ZINC000072463474 191173872 /nfs/dbraw/zinc/17/38/72/191173872.db2.gz ARUKQCCPXJDNRB-BONVTDFDSA-N 0 0 320.349 0.360 50 0 DCAARN Cc1c[nH]c(C(=O)NCc2cc(N3CCOCC3)ncn2)n1 ZINC000072475605 191176761 /nfs/dbraw/zinc/17/67/61/191176761.db2.gz RBVMUBCDEVPJBB-UHFFFAOYSA-N 0 0 302.338 0.275 50 0 DCAARN CN(Cc1cccc2ncccc12)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000072475613 191177844 /nfs/dbraw/zinc/17/78/44/191177844.db2.gz GPXMFCOUYFVMOP-ZDUSSCGKSA-N 0 0 312.329 0.791 50 0 DCAARN CN(C)c1ccnc(N2CC[C@H]3[N@H+](C)CCC[C@]3(C(=O)[O-])C2)n1 ZINC000072476095 191178137 /nfs/dbraw/zinc/17/81/37/191178137.db2.gz JFSGHKAEVXOLKY-WBMJQRKESA-N 0 0 319.409 0.918 50 0 DCAARN Cn1c(=O)cc(NC(=O)c2ccc3c(c2)OCO3)n(C)c1=O ZINC000000168727 180713236 /nfs/dbraw/zinc/71/32/36/180713236.db2.gz OVQMMRLLQGDWGA-UHFFFAOYSA-N 0 0 303.274 0.065 50 0 DCAARN Nc1nc(CCCNC(=O)[C@H]2NCCc3nc[nH]c32)cs1 ZINC000072476888 191178610 /nfs/dbraw/zinc/17/86/10/191178610.db2.gz VQPMGCJGWLMXSE-NSHDSACASA-N 0 0 306.395 0.384 50 0 DCAARN Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(C(=O)CO)C1 ZINC000072480243 191181178 /nfs/dbraw/zinc/18/11/78/191181178.db2.gz RNYFYLYQLIJQAJ-ZDUSSCGKSA-N 0 0 321.425 0.499 50 0 DCAARN CC(C)Cn1c(N)c(C(=O)CN2CCC(C)(C)C2)c(=O)[nH]c1=O ZINC000072827188 191234674 /nfs/dbraw/zinc/23/46/74/191234674.db2.gz INAXMTCEFJPIBD-UHFFFAOYSA-N 0 0 322.409 0.689 50 0 DCAARN CN1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H](c2ccccc2)C1 ZINC000022840432 282910048 /nfs/dbraw/zinc/91/00/48/282910048.db2.gz NYVKDMCDBCYQAU-HUUCEWRRSA-N 0 0 322.430 0.936 50 0 DCAARN CCOc1ccc(C(=O)NCC(=O)OCC(N)=O)cc1OCC ZINC000003286312 181000331 /nfs/dbraw/zinc/00/03/31/181000331.db2.gz GIIFIPZJHNRWPP-UHFFFAOYSA-N 0 0 324.333 0.242 50 0 DCAARN CN1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000003313605 181003370 /nfs/dbraw/zinc/00/33/70/181003370.db2.gz JRYNBPXPGWMQBB-UHFFFAOYSA-N 0 0 312.391 0.784 50 0 DCAARN C[C@H]1CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C[C@H](C)O1 ZINC000003333494 181006579 /nfs/dbraw/zinc/00/65/79/181006579.db2.gz QBWYLUBGDSEPGT-RYUDHWBXSA-N 0 0 323.393 0.877 50 0 DCAARN C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCC(=O)CC1 ZINC000003454780 181022361 /nfs/dbraw/zinc/02/23/61/181022361.db2.gz GEWDMKUPYPMXDD-GFCCVEGCSA-N 0 0 304.346 0.762 50 0 DCAARN CN(C)S(=O)(=O)c1cccc(C(=O)NC2=NCCS2)c1 ZINC000003415158 181016786 /nfs/dbraw/zinc/01/67/86/181016786.db2.gz BIZHSSFMDMWBEF-UHFFFAOYSA-N 0 0 313.404 0.770 50 0 DCAARN CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccnc1OCC ZINC000003521063 181030046 /nfs/dbraw/zinc/03/00/46/181030046.db2.gz JUKAGGZHUVCHPI-VIFPVBQESA-N 0 0 309.322 0.871 50 0 DCAARN C[C@H](Oc1ccccc1F)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000003640187 181043527 /nfs/dbraw/zinc/04/35/27/181043527.db2.gz KCLVXHCFONOWPE-UWVGGRQHSA-N 0 0 301.339 0.896 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000004034924 181065214 /nfs/dbraw/zinc/06/52/14/181065214.db2.gz TYICPZVACOFTOP-NEPJUHHUSA-N 0 0 304.412 0.343 50 0 DCAARN COc1ccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000003984119 181059842 /nfs/dbraw/zinc/05/98/42/181059842.db2.gz BPOATMHCERCANX-UHFFFAOYSA-N 0 0 300.318 0.491 50 0 biogenic DCAARN NC(=O)CSc1ncnc2c1nnn2-c1ccc(F)cc1 ZINC000004166655 181080956 /nfs/dbraw/zinc/08/09/56/181080956.db2.gz TVOKINKFPSLWHL-UHFFFAOYSA-N 0 0 304.310 0.927 50 0 DCAARN COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1ccnc(C)n1 ZINC000071908079 291022173 /nfs/dbraw/zinc/02/21/73/291022173.db2.gz RKJKFSZNBYWLNX-GFCCVEGCSA-N 0 0 307.350 0.969 50 0 DCAARN C[C@@H]1CN(C(=O)CSc2nc3n[nH]cc3c(=O)[nH]2)C[C@@H](C)O1 ZINC000004249747 181087934 /nfs/dbraw/zinc/08/79/34/181087934.db2.gz BWASVLGGYDPHQL-HTQZYQBOSA-N 0 0 323.378 0.374 50 0 DCAARN Cc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(CCCO)NN32)o1 ZINC000004294245 181093706 /nfs/dbraw/zinc/09/37/06/181093706.db2.gz JMMYOHRSNKPUDV-ZDUSSCGKSA-N 0 0 317.349 0.749 50 0 DCAARN COc1cccc(-n2nnc3c2ncnc3SCC(N)=O)c1 ZINC000004273973 181090968 /nfs/dbraw/zinc/09/09/68/181090968.db2.gz NCNWEDPLOZKHRP-UHFFFAOYSA-N 0 0 316.346 0.797 50 0 DCAARN O=c1[nH]cc(S(=O)(=O)N2CCc3ccccc3C2)c(=O)[nH]1 ZINC000004495768 181115135 /nfs/dbraw/zinc/11/51/35/181115135.db2.gz WSGAWEAWTPDQDV-UHFFFAOYSA-N 0 0 307.331 0.223 50 0 DCAARN CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000004503576 181116582 /nfs/dbraw/zinc/11/65/82/181116582.db2.gz HSXSXIAHFGFCJH-UHFFFAOYSA-N 0 0 318.782 0.721 50 0 DCAARN CC1(C)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000004516695 181118226 /nfs/dbraw/zinc/11/82/26/181118226.db2.gz LLMNMWAOFNYNEY-UHFFFAOYSA-N 0 0 319.317 0.727 50 0 DCAARN O=C(NCCO)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O ZINC000004700286 181139195 /nfs/dbraw/zinc/13/91/95/181139195.db2.gz GTQLXGXKAXUIAG-AWEZNQCLSA-N 0 0 318.304 0.520 50 0 DCAARN O=C(CSc1nnc2[nH]cnn21)NCCc1ccccc1 ZINC000004770152 181149466 /nfs/dbraw/zinc/14/94/66/181149466.db2.gz ZVRKWAWMAOUGCO-UHFFFAOYSA-N 0 0 302.363 0.903 50 0 DCAARN CSc1ncc(Cl)c(C(=O)N[C@H]2CCS(=O)(=O)C2)n1 ZINC000004810752 181154439 /nfs/dbraw/zinc/15/44/39/181154439.db2.gz GIWUPDIEDFBUAB-LURJTMIESA-N 0 0 321.811 0.769 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CC2)cc1C ZINC000004858472 181164475 /nfs/dbraw/zinc/16/44/75/181164475.db2.gz JBHZXUTXTBPAQC-SNVBAGLBSA-N 0 0 312.391 0.949 50 0 DCAARN CCCn1c(C)cn2c1nc1c2c(=O)n(CCCO)c(=O)n1C ZINC000004912011 181172123 /nfs/dbraw/zinc/17/21/23/181172123.db2.gz WASKYELUMDQZSG-UHFFFAOYSA-N 0 0 319.365 0.250 50 0 DCAARN O=C([O-])[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCOCCO ZINC000004939572 181175711 /nfs/dbraw/zinc/17/57/11/181175711.db2.gz CQFUABGHLJLOQJ-GFCCVEGCSA-N 0 0 314.313 0.206 50 0 DCAARN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)Nc3nccs3)CCO2)[nH]1 ZINC000076042581 191559372 /nfs/dbraw/zinc/55/93/72/191559372.db2.gz HUNMWYSYMHERBG-WPRPVWTQSA-N 0 0 322.394 0.970 50 0 DCAARN CC1(C)NC(=O)N(CCCSCc2nnnn2C2CC2)C1=O ZINC000078555676 191885558 /nfs/dbraw/zinc/88/55/58/191885558.db2.gz HTXAVENTCLHFSR-UHFFFAOYSA-N 0 0 324.410 0.962 50 0 DCAARN Cn1cccc1[C@@H]1CCCN1C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000177613142 198751841 /nfs/dbraw/zinc/75/18/41/198751841.db2.gz SXGXWYLDUNNEPT-KWCYVHTRSA-N 0 0 320.393 0.905 50 0 DCAARN O=C(CN1CCN(C[C@H](O)c2ccco2)CC1)N1CCCC1 ZINC000085436878 192505926 /nfs/dbraw/zinc/50/59/26/192505926.db2.gz GPNDMUWPKWWCIW-AWEZNQCLSA-N 0 0 307.394 0.553 50 0 DCAARN CCOc1ccccc1N1CCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000236953712 202091522 /nfs/dbraw/zinc/09/15/22/202091522.db2.gz UZMPVYGOVGXWPS-AWEZNQCLSA-N 0 0 319.405 0.722 50 0 DCAARN COc1ccccc1N1CCN(C(=O)[C@H]2COCCN2)CC1 ZINC000237301484 202224036 /nfs/dbraw/zinc/22/40/36/202224036.db2.gz PPMYTTQNHIYJDD-CYBMUJFWSA-N 0 0 305.378 0.332 50 0 DCAARN COc1cccc(CN[C@@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC000237417788 202259960 /nfs/dbraw/zinc/25/99/60/202259960.db2.gz YTOTUIKAZJFDML-CYBMUJFWSA-N 0 0 301.350 0.719 50 0 DCAARN Cn1nnnc1SCCNC(=O)N1CCCC[C@@H]1CCO ZINC000426657097 240353061 /nfs/dbraw/zinc/35/30/61/240353061.db2.gz ZDFSIQODTHDDNP-SNVBAGLBSA-N 0 0 314.415 0.249 50 0 DCAARN O=C(NCc1cc[nH]n1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000089834817 192882078 /nfs/dbraw/zinc/88/20/78/192882078.db2.gz LVMPTBYSVUFBTA-CQSZACIVSA-N 0 0 314.345 0.454 50 0 DCAARN O=C1c2ccccc2C(=O)N1CSCc1cc(=O)[nH]c(=O)[nH]1 ZINC000005948306 181299945 /nfs/dbraw/zinc/29/99/45/181299945.db2.gz VPGSUAHMAREFJZ-UHFFFAOYSA-N 0 0 317.326 0.550 50 0 DCAARN COC[C@H](C)NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000006047205 181307982 /nfs/dbraw/zinc/30/79/82/181307982.db2.gz CDCVCODNWTVCFZ-VTWZXRTESA-N 0 0 311.382 0.638 50 0 DCAARN Cc1cc(C(=O)COC(=O)Cn2cnnn2)c(C)n1C1CC1 ZINC000006084570 181311309 /nfs/dbraw/zinc/31/13/09/181311309.db2.gz IAEPFEPNYROETI-UHFFFAOYSA-N 0 0 303.322 0.852 50 0 DCAARN C[C@H](CC(=O)N[C@@H]1CCC(=O)N(C)C1)NC(=O)C1CCCC1 ZINC000089894529 192898513 /nfs/dbraw/zinc/89/85/13/192898513.db2.gz PBMJMJALTOEGDK-DGCLKSJQSA-N 0 0 309.410 0.808 50 0 DCAARN COC(=O)c1cc(C)ccc1Oc1cc(=O)n(C)c(=O)n1C ZINC000006189510 181318516 /nfs/dbraw/zinc/31/85/16/181318516.db2.gz ZCXAMPPFHCAMFC-UHFFFAOYSA-N 0 0 304.302 0.971 50 0 DCAARN CN(C)C(=O)N1CCC(C(=O)N(C)Cc2cnc(N)nc2)CC1 ZINC000244817151 202500719 /nfs/dbraw/zinc/50/07/19/202500719.db2.gz SUZAITVCWLCELS-UHFFFAOYSA-N 0 0 320.397 0.411 50 0 DCAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cn[nH]c1 ZINC000409414901 239276901 /nfs/dbraw/zinc/27/69/01/239276901.db2.gz YIOGCNPZCTYDGO-LBPRGKRZSA-N 0 0 313.317 0.879 50 0 DCAARN COc1cccc(C(=O)N[C@@H]2CCN(C(C)=O)C[C@H]2O)c1C ZINC000244874172 202505973 /nfs/dbraw/zinc/50/59/73/202505973.db2.gz WVXGIKKRIHGWIX-ZIAGYGMSSA-N 0 0 306.362 0.715 50 0 DCAARN O=C(CN1C(=O)CNC1=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000071837470 283807941 /nfs/dbraw/zinc/80/79/41/283807941.db2.gz VFUSBMNCRQPWIR-LBPRGKRZSA-N 0 0 321.308 0.277 50 0 DCAARN CCS(=O)(=O)N(C)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000006730034 181378394 /nfs/dbraw/zinc/37/83/94/181378394.db2.gz GSOIMCCGHNILOI-UHFFFAOYSA-N 0 0 312.391 0.945 50 0 DCAARN COC(=O)Cn1ncn2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000006804662 181392140 /nfs/dbraw/zinc/39/21/40/181392140.db2.gz PEFKOXJSTHCBKE-UHFFFAOYSA-N 0 0 314.301 0.740 50 0 DCAARN COCC[C@@]1(CO)CCCN(C(=O)Cn2ccccc2=O)C1 ZINC000091320759 193039520 /nfs/dbraw/zinc/03/95/20/193039520.db2.gz MGTOOXBQGHSMKU-INIZCTEOSA-N 0 0 308.378 0.486 50 0 DCAARN Cc1c(Cl)c(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3O)nn1C ZINC000091645115 193083656 /nfs/dbraw/zinc/08/36/56/193083656.db2.gz YCKRUJSUGZOTJL-AOOOYVTPSA-N 0 0 313.785 0.730 50 0 DCAARN C[N@@H+]1CC[C@H]2CN(C(=O)c3ncccc3F)C[C@@]2(C(=O)[O-])C1 ZINC000091860024 193119376 /nfs/dbraw/zinc/11/93/76/193119376.db2.gz FYXUQPOICCZURB-BONVTDFDSA-N 0 0 307.325 0.699 50 0 DCAARN Cc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)no1 ZINC000091915154 193125612 /nfs/dbraw/zinc/12/56/12/193125612.db2.gz SULRLVDUNJPZHP-NSHDSACASA-N 0 0 306.322 0.588 50 0 DCAARN COCCN1CCC[C@]2(CCN(Cc3nc(C)nn3C)C2)C1=O ZINC000091934532 193128487 /nfs/dbraw/zinc/12/84/87/193128487.db2.gz YGDDHHSABCVMRP-MRXNPFEDSA-N 0 0 321.425 0.584 50 0 DCAARN CCn1c(Cn2cncn2)nnc1C1CC[NH+](CC(=O)[O-])CC1 ZINC000092028138 193143139 /nfs/dbraw/zinc/14/31/39/193143139.db2.gz HCOQUNDHEUUPEG-UHFFFAOYSA-N 0 0 319.369 0.202 50 0 DCAARN Cc1cc(C(=O)N[C@H]2CN(S(C)(=O)=O)C[C@@H]2C(C)C)on1 ZINC000091997435 193137916 /nfs/dbraw/zinc/13/79/16/193137916.db2.gz HPRKLGLGWIHOKH-MNOVXSKESA-N 0 0 315.395 0.629 50 0 DCAARN COc1cccc(C(=O)OCc2nc(N)nc(N)n2)c1OC ZINC000006987255 181430210 /nfs/dbraw/zinc/43/02/10/181430210.db2.gz LTYXXEUQLADVON-UHFFFAOYSA-N 0 0 305.294 0.410 50 0 DCAARN O=C(Cn1ccnn1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 ZINC000223232126 201639204 /nfs/dbraw/zinc/63/92/04/201639204.db2.gz SECOHCLVUZXZAR-CABCVRRESA-N 0 0 316.361 0.769 50 0 DCAARN C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)NC1CC1 ZINC000007250488 181449450 /nfs/dbraw/zinc/44/94/50/181449450.db2.gz OFHGTPCNCVJQAT-SECBINFHSA-N 0 0 301.306 0.486 50 0 DCAARN Cc1cc(F)ccc1CN1CCN(CCS(N)(=O)=O)CC1 ZINC000093741083 193298900 /nfs/dbraw/zinc/29/89/00/193298900.db2.gz CBUQYMIKFLQWKE-UHFFFAOYSA-N 0 0 315.414 0.540 50 0 DCAARN CCN1C[C@@H](C(=O)N(C)CCc2noc(C3CC3)n2)CC1=O ZINC000095369724 193435358 /nfs/dbraw/zinc/43/53/58/193435358.db2.gz RGGCRSGTIPFNME-NSHDSACASA-N 0 0 306.366 0.816 50 0 DCAARN COCCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2 ZINC000095371146 193435763 /nfs/dbraw/zinc/43/57/63/193435763.db2.gz ZYMDLGRJCLXDSP-QWHCGFSZSA-N 0 0 318.377 0.576 50 0 DCAARN COc1ccc(CN(C)c2nn(C)c(=O)n(C)c2=O)cc1OC ZINC000007974397 181514000 /nfs/dbraw/zinc/51/40/00/181514000.db2.gz NOYZBXHUJVJJLY-UHFFFAOYSA-N 0 0 320.349 0.133 50 0 DCAARN Cc1ccc(C)c(S(=O)(=O)NCCn2ncccc2=O)c1 ZINC000011856391 181711723 /nfs/dbraw/zinc/71/17/23/181711723.db2.gz VVHKFAHQDSMTMW-UHFFFAOYSA-N 0 0 307.375 0.839 50 0 DCAARN CC(=O)Nc1ncc(S(=O)(=O)NC[C@H]2CCCO2)s1 ZINC000012379796 181753793 /nfs/dbraw/zinc/75/37/93/181753793.db2.gz YMFBQBDRSXGOEE-MRVPVSSYSA-N 0 0 305.381 0.559 50 0 DCAARN C[C@H]1CN(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CCO1 ZINC000014139789 181929532 /nfs/dbraw/zinc/92/95/32/181929532.db2.gz MRRBEJMYWLCBEA-LBPRGKRZSA-N 0 0 317.345 0.656 50 0 DCAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NC1CC1 ZINC000015586932 182008389 /nfs/dbraw/zinc/00/83/89/182008389.db2.gz AQROSMKRYCIOHF-UHFFFAOYSA-N 0 0 311.359 0.900 50 0 DCAARN CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCN1CCOCC1 ZINC000015773177 182016086 /nfs/dbraw/zinc/01/60/86/182016086.db2.gz BJAPUJPPWIEOPN-MRXNPFEDSA-N 0 0 317.389 0.413 50 0 DCAARN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1Cl ZINC000016527272 182048581 /nfs/dbraw/zinc/04/85/81/182048581.db2.gz IJUWMXLNELHINP-ZETCQYMHSA-N 0 0 306.771 0.891 50 0 DCAARN COc1ccccc1C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000016915597 182064566 /nfs/dbraw/zinc/06/45/66/182064566.db2.gz UUBKIEZVFSCBRO-UHFFFAOYSA-N 0 0 317.345 0.852 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCOC3=O)CC2)cc1 ZINC000016978643 182067036 /nfs/dbraw/zinc/06/70/36/182067036.db2.gz WDFMCPCHQLKHFL-AWEZNQCLSA-N 0 0 324.402 0.617 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000017635816 182084622 /nfs/dbraw/zinc/08/46/22/182084622.db2.gz FJGNZINJINKVNS-CYBMUJFWSA-N 0 0 322.386 0.952 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cncc(Br)c1 ZINC000017636126 182084795 /nfs/dbraw/zinc/08/47/95/182084795.db2.gz MILWDQCSQAXNKA-SECBINFHSA-N 0 0 319.180 0.761 50 0 DCAARN C[C@@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)Nc1ccccc1 ZINC000019001598 182103196 /nfs/dbraw/zinc/10/31/96/182103196.db2.gz UUNWXPMOJTYZCF-MWLCHTKSSA-N 0 0 319.317 0.545 50 0 DCAARN Cc1ccn(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000019228287 182109147 /nfs/dbraw/zinc/10/91/47/182109147.db2.gz ASTCFNPQTDYQHT-UHFFFAOYSA-N 0 0 308.363 0.269 50 0 DCAARN Cc1cc(C)cc(OC[C@@H](O)CN2CCN(CCO)CC2)c1 ZINC000019771008 182145154 /nfs/dbraw/zinc/14/51/54/182145154.db2.gz WKJPBSOMKCZZOW-INIZCTEOSA-N 0 0 308.422 0.653 50 0 DCAARN CCC(NCCc1c[nH]cn1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000019899377 182161805 /nfs/dbraw/zinc/16/18/05/182161805.db2.gz ZQCOUWXLRYPUDT-UHFFFAOYSA-N 0 0 305.338 0.256 50 0 DCAARN O[C@H](COc1ccc(-c2nnco2)cc1)CN1CCOCC1 ZINC000019908916 182163252 /nfs/dbraw/zinc/16/32/52/182163252.db2.gz NKUKGAFZZSRQMB-ZDUSSCGKSA-N 0 0 305.334 0.809 50 0 DCAARN COCCn1c(SCC(N)=O)nc2c(c1=O)SCC2 ZINC000020154941 182192914 /nfs/dbraw/zinc/19/29/14/182192914.db2.gz PMMLLWXUSXXLQK-UHFFFAOYSA-N 0 0 301.393 0.115 50 0 DCAARN O=C(NCCn1cccn1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 ZINC000020256907 182200278 /nfs/dbraw/zinc/20/02/78/182200278.db2.gz HWLHFRZQQBXWHL-CQSZACIVSA-N 0 0 313.361 0.443 50 0 DCAARN O=C(CN1CCOC1=O)N1CCNC(=O)[C@H]1c1cccc(F)c1 ZINC000020271805 182201939 /nfs/dbraw/zinc/20/19/39/182201939.db2.gz PLRNJHDNXKFSEE-CYBMUJFWSA-N 0 0 321.308 0.277 50 0 DCAARN COc1ccc2c(C(=O)CN3CCN(CCO)CC3)c[nH]c2c1 ZINC000020389221 182213802 /nfs/dbraw/zinc/21/38/02/182213802.db2.gz HHCYXGOOQOFQMJ-UHFFFAOYSA-N 0 0 317.389 0.969 50 0 DCAARN Cc1nc(NC(=O)CN2CCOCC2)sc1C(=O)N(C)C ZINC000020343316 182209712 /nfs/dbraw/zinc/20/97/12/182209712.db2.gz HYQGRTIRFXKLGR-UHFFFAOYSA-N 0 0 312.395 0.424 50 0 DCAARN O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCN1CCOCC1 ZINC000020355505 182211212 /nfs/dbraw/zinc/21/12/12/182211212.db2.gz OMAXPQYLPOVORP-AWEZNQCLSA-N 0 0 319.361 0.225 50 0 DCAARN CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000020457087 182219401 /nfs/dbraw/zinc/21/94/01/182219401.db2.gz NYEQSCCIXFGRQG-NEPJUHHUSA-N 0 0 305.444 0.810 50 0 DCAARN CCN1CCc2c(sc3c2c(NCCO)nc2nnnn23)C1 ZINC000020518168 182226783 /nfs/dbraw/zinc/22/67/83/182226783.db2.gz QSCUOWKQTQWBQL-UHFFFAOYSA-N 0 0 319.394 0.516 50 0 DCAARN O=C(NCCN1CCOCC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000020623464 182240122 /nfs/dbraw/zinc/24/01/22/182240122.db2.gz FXXPYKWKUFUARU-UHFFFAOYSA-N 0 0 316.361 0.555 50 0 DCAARN C[C@H](C(=O)NCCN1CCOCC1)N1Cc2ccccc2C1=O ZINC000020925431 182254663 /nfs/dbraw/zinc/25/46/63/182254663.db2.gz UFWGDNCQCCTENT-CYBMUJFWSA-N 0 0 317.389 0.479 50 0 DCAARN O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C1CC1 ZINC000020735869 182245115 /nfs/dbraw/zinc/24/51/15/182245115.db2.gz JKKFOSUNFUYZCI-CYBMUJFWSA-N 0 0 315.373 0.682 50 0 DCAARN CCc1nnc(NC(=O)Cn2cnc3onc(C)c3c2=O)s1 ZINC000020941770 182256165 /nfs/dbraw/zinc/25/61/65/182256165.db2.gz PZYPYNDRYYSDOG-UHFFFAOYSA-N 0 0 320.334 0.746 50 0 DCAARN Cc1ccccc1CCNC(=O)c1cc(S(N)(=O)=O)cn1C ZINC000021381064 182273650 /nfs/dbraw/zinc/27/36/50/182273650.db2.gz CRRHLKXAYOGKKS-UHFFFAOYSA-N 0 0 321.402 0.953 50 0 DCAARN COc1cccc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)c1O ZINC000021230928 182270267 /nfs/dbraw/zinc/27/02/67/182270267.db2.gz NNSRTWVROLUEQA-NSHDSACASA-N 0 0 310.306 0.777 50 0 DCAARN NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000022409444 182320597 /nfs/dbraw/zinc/32/05/97/182320597.db2.gz WDEOVWVCCRHUGM-UHFFFAOYSA-N 0 0 304.393 0.509 50 0 DCAARN CC(C)(C)C(=O)NCCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000022470632 182322667 /nfs/dbraw/zinc/32/26/67/182322667.db2.gz CWRCQHYCDLZKRQ-UHFFFAOYSA-N 0 0 316.361 0.815 50 0 DCAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1NC[C@H]1CCCO1 ZINC000022767723 182334089 /nfs/dbraw/zinc/33/40/89/182334089.db2.gz FXSFABHRPPWWCP-LLVKDONJSA-N 0 0 318.377 0.786 50 0 DCAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1N[C@@H](CC)CO ZINC000022767706 182334401 /nfs/dbraw/zinc/33/44/01/182334401.db2.gz UITGOGDEDDCAMY-JTQLQIEISA-N 0 0 306.366 0.377 50 0 DCAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCCC1=O ZINC000023183889 182352989 /nfs/dbraw/zinc/35/29/89/182352989.db2.gz NSHNZODXHVTSRQ-GFCCVEGCSA-N 0 0 304.346 0.907 50 0 DCAARN NC(=O)c1cccc(C(=O)NC2CCN(C(=O)C3CC3)CC2)c1 ZINC000023098874 182347041 /nfs/dbraw/zinc/34/70/41/182347041.db2.gz JILQQNMEMYLIIG-UHFFFAOYSA-N 0 0 315.373 0.916 50 0 DCAARN NC(=O)CSCCC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000023081988 182347235 /nfs/dbraw/zinc/34/72/35/182347235.db2.gz LVUVMGOOCYXFLE-SNVBAGLBSA-N 0 0 310.375 0.551 50 0 DCAARN CS(=O)(=O)c1nc2ccccc2n1CCN1C(=O)CCC1=O ZINC000023107235 182347639 /nfs/dbraw/zinc/34/76/39/182347639.db2.gz TYZTVEYYDJKESI-UHFFFAOYSA-N 0 0 321.358 0.589 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000023743544 182367786 /nfs/dbraw/zinc/36/77/86/182367786.db2.gz NXKBDARMDKQCGR-JTQLQIEISA-N 0 0 308.381 0.147 50 0 DCAARN CC(=O)c1cccc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)c1 ZINC000024087743 182375190 /nfs/dbraw/zinc/37/51/90/182375190.db2.gz AERWWOFIXUPURU-GFCCVEGCSA-N 0 0 320.345 0.959 50 0 DCAARN COC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024546456 182383291 /nfs/dbraw/zinc/38/32/91/182383291.db2.gz IWEJHZMYLMYLHD-QWRGUYRKSA-N 0 0 320.345 0.919 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000024694489 182387836 /nfs/dbraw/zinc/38/78/36/182387836.db2.gz FNXAWRPGJMCEQR-UHFFFAOYSA-N 0 0 312.395 0.643 50 0 DCAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cnn(C)c1)C2=O ZINC000025305479 182408188 /nfs/dbraw/zinc/40/81/88/182408188.db2.gz YEYQIEORMVALHO-BONVTDFDSA-N 0 0 319.365 0.859 50 0 DCAARN Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)nn1C ZINC000027970986 182500718 /nfs/dbraw/zinc/50/07/18/182500718.db2.gz VWAFREMFQAAQGN-UHFFFAOYSA-N 0 0 308.363 0.306 50 0 DCAARN C[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H]1CCCO1 ZINC000031122529 182607242 /nfs/dbraw/zinc/60/72/42/182607242.db2.gz RTPOAHDGPXDURK-ZYHUDNBSSA-N 0 0 319.427 0.277 50 0 DCAARN Cc1cc(=O)oc2ccc(OCC(=O)N3CCNC(=O)C3)cc12 ZINC000031223507 182609318 /nfs/dbraw/zinc/60/93/18/182609318.db2.gz DURIBASZYQGRET-UHFFFAOYSA-N 0 0 316.313 0.439 50 0 DCAARN Cc1ccc(C)c(NC(=O)NCCNC(=O)c2nonc2N)c1 ZINC000033014418 182689001 /nfs/dbraw/zinc/68/90/01/182689001.db2.gz GHVISYIRTWESOL-UHFFFAOYSA-N 0 0 318.337 0.820 50 0 DCAARN Cc1cc2c(cnc3ncnn32)c(=O)n1NC(=O)c1cccnc1 ZINC000038784034 183009195 /nfs/dbraw/zinc/00/91/95/183009195.db2.gz HTIXJKABNXBWBF-UHFFFAOYSA-N 0 0 321.300 0.527 50 0 DCAARN CC[C@](C)(CNC(=O)CNC(=O)C(C)(C)C)N1CCOCC1 ZINC000040089358 183033009 /nfs/dbraw/zinc/03/30/09/183033009.db2.gz IKBHWJJEKMVCPP-MRXNPFEDSA-N 0 0 313.442 0.766 50 0 DCAARN Cc1ccn(CCNC(=O)C(=O)Nc2[nH]nc3ncccc32)n1 ZINC000040284595 183050547 /nfs/dbraw/zinc/05/05/47/183050547.db2.gz QSNFJFLMNARRAS-UHFFFAOYSA-N 0 0 313.321 0.218 50 0 DCAARN Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1ccc(O)cc1 ZINC000040286745 183051452 /nfs/dbraw/zinc/05/14/52/183051452.db2.gz MJIKIFAKPVFXEQ-UHFFFAOYSA-N 0 0 302.334 0.997 50 0 DCAARN NS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CCCCCCC1 ZINC000040539329 183096047 /nfs/dbraw/zinc/09/60/47/183096047.db2.gz JTWXQWQUXLWSAW-GFCCVEGCSA-N 0 0 303.428 0.883 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1 ZINC000040497658 183082202 /nfs/dbraw/zinc/08/22/02/183082202.db2.gz JZRLNKTTYFCHKX-ZWNOBZJWSA-N 0 0 312.391 0.892 50 0 DCAARN Cc1cccc2c(=O)n(CC(=O)N3CCOC[C@H]3C)cnc12 ZINC000040509707 183086004 /nfs/dbraw/zinc/08/60/04/183086004.db2.gz ADNJVQRNMMJXRB-GFCCVEGCSA-N 0 0 301.346 0.952 50 0 DCAARN C[C@@H](C1CC1)N(C)C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000040516203 183089358 /nfs/dbraw/zinc/08/93/58/183089358.db2.gz CONQPHZHVMMTRA-NSHDSACASA-N 0 0 311.407 0.959 50 0 DCAARN CC(C)Oc1ccc(CNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 ZINC000040541300 183098051 /nfs/dbraw/zinc/09/80/51/183098051.db2.gz BDWAIVCMXBWQGA-LBPRGKRZSA-N 0 0 312.391 0.920 50 0 DCAARN Cc1occc1C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000040542767 183098327 /nfs/dbraw/zinc/09/83/27/183098327.db2.gz SGZQSWQGSDKMML-LLVKDONJSA-N 0 0 300.380 0.989 50 0 DCAARN Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NCC(=O)N(C)C)O2 ZINC000040808713 183136843 /nfs/dbraw/zinc/13/68/43/183136843.db2.gz YLMHBNPQOXRPIK-OAHLLOKOSA-N 0 0 305.334 0.289 50 0 DCAARN CCCCc1noc([C@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 ZINC000040714759 183122824 /nfs/dbraw/zinc/12/28/24/183122824.db2.gz MZWVCCGYLNALOF-NSHDSACASA-N 0 0 319.369 0.805 50 0 DCAARN CCCc1noc([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 ZINC000040714749 183122862 /nfs/dbraw/zinc/12/28/62/183122862.db2.gz OUWWXLSXJRYOGC-SNVBAGLBSA-N 0 0 305.342 0.415 50 0 DCAARN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCOCC1 ZINC000041248329 183181359 /nfs/dbraw/zinc/18/13/59/183181359.db2.gz ZLJCYPMIHNVUFR-VIFPVBQESA-N 0 0 304.393 0.274 50 0 DCAARN CN(CC(=O)NCc1ccco1)CC(=O)NCC(F)(F)F ZINC000041106724 183166010 /nfs/dbraw/zinc/16/60/10/183166010.db2.gz ZUENUXYEMRPZPI-UHFFFAOYSA-N 0 0 307.272 0.506 50 0 DCAARN Cn1nc(CC(=O)NC[C@@H]2CCOC2)c2ccccc2c1=O ZINC000041373579 183187260 /nfs/dbraw/zinc/18/72/60/183187260.db2.gz PLHJNFXIOFGQKV-NSHDSACASA-N 0 0 301.346 0.629 50 0 DCAARN CC(=O)N1CCC(C(=O)NCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000042032005 183230054 /nfs/dbraw/zinc/23/00/54/183230054.db2.gz WCUVUBSNBVWIGR-BETUJISGSA-N 0 0 311.426 0.470 50 0 DCAARN O=C(Cn1cccnc1=O)NCc1cccnc1-n1ccnc1 ZINC000042497871 183277026 /nfs/dbraw/zinc/27/70/26/183277026.db2.gz QMXDLHIDOZSFAP-UHFFFAOYSA-N 0 0 310.317 0.140 50 0 DCAARN CCCn1nc(C(=O)NCCN2CCCCCC2=O)ccc1=O ZINC000042923541 183318844 /nfs/dbraw/zinc/31/88/44/183318844.db2.gz HDYMRUCNPHOUPS-UHFFFAOYSA-N 0 0 320.393 0.786 50 0 DCAARN O=C(NCCN1CCOCC1)N1CCN(Cc2ccco2)CC1 ZINC000042951891 183320469 /nfs/dbraw/zinc/32/04/69/183320469.db2.gz CHZGWJBDGASHQE-UHFFFAOYSA-N 0 0 322.409 0.439 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)NCCCn1cnc2ccccc21 ZINC000042817209 183312399 /nfs/dbraw/zinc/31/23/99/183312399.db2.gz WXFKMWQPVFBUQM-LLVKDONJSA-N 0 0 315.333 0.141 50 0 DCAARN CCOC(=O)c1ccc(NC2CCN(CC(N)=O)CC2)nc1 ZINC000043534032 183370419 /nfs/dbraw/zinc/37/04/19/183370419.db2.gz JDOVJFDRISGSPY-UHFFFAOYSA-N 0 0 306.366 0.620 50 0 DCAARN NC(=O)[C@@H]1CC(C(=O)OC[C@@H]2CCCO2)=NN1c1ccccc1 ZINC000043976335 183391291 /nfs/dbraw/zinc/39/12/91/183391291.db2.gz WMGDLMWBDCCCQV-JSGCOSHPSA-N 0 0 317.345 0.829 50 0 DCAARN Cc1cnc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)cn1 ZINC000044046845 183393427 /nfs/dbraw/zinc/39/34/27/183393427.db2.gz OWDFPTFXRCWVNJ-UHFFFAOYSA-N 0 0 307.335 0.653 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 ZINC000044721447 183435287 /nfs/dbraw/zinc/43/52/87/183435287.db2.gz QFEBBGNAYOJDDI-LLVKDONJSA-N 0 0 320.374 0.432 50 0 DCAARN Cn1ncc2c1ncn(CCC(=O)N1CCSCC1)c2=O ZINC000044955053 183466674 /nfs/dbraw/zinc/46/66/74/183466674.db2.gz FJSNDJWZXQDNSW-UHFFFAOYSA-N 0 0 307.379 0.096 50 0 DCAARN O=C(c1cnc2n(c1=O)CCS2)N1CCO[C@@H]2CCC[C@H]21 ZINC000053379153 296287247 /nfs/dbraw/zinc/28/72/47/296287247.db2.gz GFLLEJBRMYQXGE-GHMZBOCLSA-N 0 0 307.375 0.743 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)C[C@H](C)O1 ZINC000106068995 194184430 /nfs/dbraw/zinc/18/44/30/194184430.db2.gz OSCMAHQUCZEZOV-FRRDWIJNSA-N 0 0 318.439 0.841 50 0 DCAARN CCN(C[C@@H]1CCOC1)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000048263397 183635053 /nfs/dbraw/zinc/63/50/53/183635053.db2.gz HDMCTXZLIPFLTO-STQMWFEESA-N 0 0 318.439 0.543 50 0 DCAARN COC(=O)c1ccc(N2CCN([C@H](C)C(N)=O)[C@H](C)C2)cc1 ZINC000106579894 194232239 /nfs/dbraw/zinc/23/22/39/194232239.db2.gz UZNMTEMCPVSMNC-VXGBXAGGSA-N 0 0 305.378 0.858 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)NCCN1C[C@@H](C)O[C@H](C)C1 ZINC000106625693 194238053 /nfs/dbraw/zinc/23/80/53/194238053.db2.gz DHERFWYMDYXRHB-MGPQQGTHSA-N 0 0 309.414 0.680 50 0 DCAARN CN(CC(N)=O)CC(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000052830976 183876002 /nfs/dbraw/zinc/87/60/02/183876002.db2.gz PZPPAOLOHZKJLK-HNNXBMFYSA-N 0 0 315.377 0.043 50 0 DCAARN Cc1noc([C@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)n1 ZINC000054662023 183947524 /nfs/dbraw/zinc/94/75/24/183947524.db2.gz AOHYSANOCSRIHJ-QWRGUYRKSA-N 0 0 313.379 0.519 50 0 DCAARN CCCCn1ncc(C)c1NC(=O)c1cc(-n2cnnn2)[nH]n1 ZINC000055036290 183958956 /nfs/dbraw/zinc/95/89/56/183958956.db2.gz JHQHNRWTJKFZMY-UHFFFAOYSA-N 0 0 315.341 0.943 50 0 DCAARN NC(=O)CC1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000056089042 184004439 /nfs/dbraw/zinc/00/44/39/184004439.db2.gz IOLGWJMOSFEQCI-UHFFFAOYSA-N 0 0 303.428 0.695 50 0 DCAARN COCCNC(=O)CCNC(=O)c1cccc(C(=O)OC)c1 ZINC000056189294 184006659 /nfs/dbraw/zinc/00/66/59/184006659.db2.gz NAFOMMWAAOLBQY-UHFFFAOYSA-N 0 0 308.334 0.356 50 0 DCAARN COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cn[nH]c1 ZINC000057116893 184027445 /nfs/dbraw/zinc/02/74/45/184027445.db2.gz JRFICYKRXYVVFY-UHFFFAOYSA-N 0 0 307.331 0.948 50 0 DCAARN CCn1nc(C)c2ncnc(NCC(=O)N3CCOCC3)c21 ZINC000057280039 184031664 /nfs/dbraw/zinc/03/16/64/184031664.db2.gz XZQZZQJVZQHADP-UHFFFAOYSA-N 0 0 304.354 0.425 50 0 DCAARN O=C(CN1CCN(C(=O)N2CCCC2)CC1)NC1CCCC1 ZINC000057531766 184041415 /nfs/dbraw/zinc/04/14/15/184041415.db2.gz VDMRQEUNSZZKEK-UHFFFAOYSA-N 0 0 308.426 0.879 50 0 DCAARN CC1CCC(NC(=O)CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC000057947521 184063559 /nfs/dbraw/zinc/06/35/59/184063559.db2.gz XFCKKRPDIFQKAZ-UHFFFAOYSA-N 0 0 323.393 0.782 50 0 DCAARN CN(C(=O)CN1C(=O)NC2(CCOCC2)C1=O)c1ccccc1 ZINC000057947325 184063643 /nfs/dbraw/zinc/06/36/43/184063643.db2.gz WXYMBIZLAFXZDL-UHFFFAOYSA-N 0 0 317.345 0.750 50 0 DCAARN CC(C)C(=O)NCCNC(=O)c1cnc2ccccn2c1=O ZINC000058024559 184069199 /nfs/dbraw/zinc/06/91/99/184069199.db2.gz QABIUJNZVVCIAI-UHFFFAOYSA-N 0 0 302.334 0.197 50 0 DCAARN CC(C)c1noc([C@H](C)N2CCN(CC(=O)N(C)C)CC2)n1 ZINC000058215900 184089281 /nfs/dbraw/zinc/08/92/81/184089281.db2.gz XZEMLCVSMHYOOR-LBPRGKRZSA-N 0 0 309.414 0.960 50 0 DCAARN O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N1CCCS1(=O)=O ZINC000058214721 184089307 /nfs/dbraw/zinc/08/93/07/184089307.db2.gz KQECQEDXKZLFRW-CYBMUJFWSA-N 0 0 322.386 0.597 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1cc(F)ccc1F ZINC000058218402 184089642 /nfs/dbraw/zinc/08/96/42/184089642.db2.gz LOWOOWHOUSZJII-UHFFFAOYSA-N 0 0 308.306 0.087 50 0 DCAARN O=C(OCC1CC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000058232040 184092265 /nfs/dbraw/zinc/09/22/65/184092265.db2.gz SNXSKVJBABHHLY-UHFFFAOYSA-N 0 0 314.363 0.602 50 0 DCAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccoc1)N1CCCCO1 ZINC000059436840 184138644 /nfs/dbraw/zinc/13/86/44/184138644.db2.gz GAXHVXQWVHJGBY-ZDUSSCGKSA-N 0 0 307.350 0.524 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)c(C)n1C ZINC000064923038 184306296 /nfs/dbraw/zinc/30/62/96/184306296.db2.gz QAYHWTRDJSBQAZ-JTQLQIEISA-N 0 0 316.379 0.577 50 0 DCAARN CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccn[nH]2)CC1 ZINC000065155743 184312686 /nfs/dbraw/zinc/31/26/86/184312686.db2.gz IQZGYXODTQFOLJ-UHFFFAOYSA-N 0 0 323.397 0.692 50 0 DCAARN CC(C)NC(=O)Cn1c2csnc2c(=O)n(C(C)C)c1=O ZINC000065185095 184314148 /nfs/dbraw/zinc/31/41/48/184314148.db2.gz RIFBJFYKDUXEBZ-UHFFFAOYSA-N 0 0 310.379 0.725 50 0 DCAARN COc1ccc(NC(=O)NCC2=CCN(CC(N)=O)CC2)cc1 ZINC000065386531 184333400 /nfs/dbraw/zinc/33/34/00/184333400.db2.gz LCKKTXGOGLBPNU-UHFFFAOYSA-N 0 0 318.377 0.934 50 0 DCAARN O=C1N[C@]2(O)C(=O)c3ccccc3[C@]2(O)N1c1cccc(O)c1 ZINC000226761187 284925921 /nfs/dbraw/zinc/92/59/21/284925921.db2.gz SOSVHHARGGATPT-JKSUJKDBSA-N 0 0 312.281 0.652 50 0 DCAARN CCN(CC)C(=O)[C@H]1CCCN(CC(=O)Nc2cnccn2)C1 ZINC000065382810 184332896 /nfs/dbraw/zinc/33/28/96/184332896.db2.gz GLKUBGQINBIRLP-ZDUSSCGKSA-N 0 0 319.409 0.996 50 0 DCAARN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC(C(=O)N(C)C)CC1 ZINC000065415448 184340920 /nfs/dbraw/zinc/34/09/20/184340920.db2.gz PSDPHGLXSAWWPK-SNVBAGLBSA-N 0 0 321.429 0.381 50 0 DCAARN Cc1cc2oc(=O)cc(CN[C@H](C(N)=O)[C@@H](C)O)c2cc1C ZINC000065425911 184342904 /nfs/dbraw/zinc/34/29/04/184342904.db2.gz TYOPRVPXBCQVGQ-BMIGLBTASA-N 0 0 304.346 0.734 50 0 DCAARN COCCN1C[C@H](C(=O)N2CC(n3nc(C)cc3C)C2)CC1=O ZINC000065429264 184343309 /nfs/dbraw/zinc/34/33/09/184343309.db2.gz WEMCNACFMTZOET-CYBMUJFWSA-N 0 0 320.393 0.378 50 0 DCAARN NC(=O)Cn1cc(NC(=O)NC[C@@H]2Cc3ccccc3O2)cn1 ZINC000065429317 184343347 /nfs/dbraw/zinc/34/33/47/184343347.db2.gz CZCUTDGHLSSLAX-LBPRGKRZSA-N 0 0 315.333 0.494 50 0 DCAARN Cc1ccc(CNC(=O)N2CCN(S(C)(=O)=O)CC2)n1C ZINC000065446449 184345901 /nfs/dbraw/zinc/34/59/01/184345901.db2.gz YXFOPHZHYPKIDI-UHFFFAOYSA-N 0 0 314.411 0.120 50 0 DCAARN CC(C)c1nn(C)c(N(C)C)c1CN[C@H]1CCS(=O)(=O)C1 ZINC000065478812 184352713 /nfs/dbraw/zinc/35/27/13/184352713.db2.gz NMSSKDDHVKTEMI-NSHDSACASA-N 0 0 314.455 0.886 50 0 DCAARN CCS(=O)(=O)CCNC(=O)c1cccnc1OCCOC ZINC000065495267 184354588 /nfs/dbraw/zinc/35/45/88/184354588.db2.gz IXOSDBDJFMQZLR-UHFFFAOYSA-N 0 0 316.379 0.271 50 0 DCAARN Cc1csc([C@@H]2CN(CCCN3C(=O)CNC3=O)CCO2)n1 ZINC000065531113 184360833 /nfs/dbraw/zinc/36/08/33/184360833.db2.gz ILIJWXLQEQQKFI-NSHDSACASA-N 0 0 324.406 0.767 50 0 DCAARN O=C(NCCN1CCOCC1)N[C@@H]1CCN(c2ccccc2)C1 ZINC000065610078 184373090 /nfs/dbraw/zinc/37/30/90/184373090.db2.gz GJUGIBLASQSLNA-OAHLLOKOSA-N 0 0 318.421 0.897 50 0 DCAARN Cc1ccc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)c(=O)[nH]1 ZINC000065552885 184365288 /nfs/dbraw/zinc/36/52/88/184365288.db2.gz PJDJESIUFDHDLF-CYBMUJFWSA-N 0 0 305.378 0.620 50 0 DCAARN COc1ccc(CNC(=O)CNC(=O)NC[C@H]2CCCO2)cc1 ZINC000065593050 184370393 /nfs/dbraw/zinc/37/03/93/184370393.db2.gz KESOMRLITDOYAP-CQSZACIVSA-N 0 0 321.377 0.790 50 0 DCAARN O=C(Cn1ncc2ccccc2c1=O)N[C@@H]1CCc2nccn2C1 ZINC000065593291 184370484 /nfs/dbraw/zinc/37/04/84/184370484.db2.gz VPNTYLPNQSZVDV-CYBMUJFWSA-N 0 0 323.356 0.724 50 0 DCAARN COCCOc1cccc(CN2CCO[C@H](C)[C@H]2C(N)=O)c1 ZINC000344826065 253838099 /nfs/dbraw/zinc/83/80/99/253838099.db2.gz KLZZFTZEZVSLJI-DOMZBBRYSA-N 0 0 308.378 0.786 50 0 DCAARN O=C(Cc1c[nH]c2ncccc12)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000158101922 197244080 /nfs/dbraw/zinc/24/40/80/197244080.db2.gz KUEWJTAYZJVAME-GFCCVEGCSA-N 0 0 312.329 0.512 50 0 DCAARN Cc1cc(O)ccc1C(=O)N1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000155987903 197078244 /nfs/dbraw/zinc/07/82/44/197078244.db2.gz JZIRVVKCBIMFLQ-CYBMUJFWSA-N 0 0 324.402 0.997 50 0 DCAARN CC(C)c1nc(CCNC(=O)C[C@@H]2NC(=O)NC2=O)cs1 ZINC000155394332 197050840 /nfs/dbraw/zinc/05/08/40/197050840.db2.gz ICDXIYFDQDUBTG-VIFPVBQESA-N 0 0 310.379 0.523 50 0 DCAARN CN(C)C(=O)CN1CC[C@@H](Nc2cc(C3CC3)ncn2)[C@H](O)C1 ZINC000426497355 257248517 /nfs/dbraw/zinc/24/85/17/257248517.db2.gz ZZORATJPORLIPG-TZMCWYRMSA-N 0 0 319.409 0.289 50 0 DCAARN O=C(CN1CCOC1=O)NC1CCN(c2cnccn2)CC1 ZINC000426500059 257248649 /nfs/dbraw/zinc/24/86/49/257248649.db2.gz GEJRKRFJFYKWEF-UHFFFAOYSA-N 0 0 305.338 0.014 50 0 DCAARN CCc1noc(CN(CC)C(=O)N[C@H]2CCC(=O)N(C)C2)n1 ZINC000426438945 257250650 /nfs/dbraw/zinc/25/06/50/257250650.db2.gz VKHCUSVASBIXPK-JTQLQIEISA-N 0 0 309.370 0.784 50 0 DCAARN CCCN1C[C@@H](C(=O)N2CCN(c3nc[nH]n3)CC2)CCC1=O ZINC000426412783 257250715 /nfs/dbraw/zinc/25/07/15/257250715.db2.gz SHQKUJUZRDUDDS-LBPRGKRZSA-N 0 0 320.397 0.102 50 0 DCAARN CCc1nnc(CN2CCC[C@H](c3ccn(CCO)n3)C2)[nH]1 ZINC000426423146 257251566 /nfs/dbraw/zinc/25/15/66/257251566.db2.gz XALNJRYUDCZTCH-LBPRGKRZSA-N 0 0 304.398 0.936 50 0 DCAARN CCCN(C)S(=O)(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000120949598 195270163 /nfs/dbraw/zinc/27/01/63/195270163.db2.gz IFDIYSYELFYQCQ-GFCCVEGCSA-N 0 0 315.443 0.565 50 0 DCAARN CCc1nnnn1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000071839295 184863640 /nfs/dbraw/zinc/86/36/40/184863640.db2.gz QSIRWIKUNYYCEH-ZDUSSCGKSA-N 0 0 319.340 0.975 50 0 DCAARN O=C(Cn1cnc(NC(=O)[C@H]2CCCO2)n1)N1CCCCCC1 ZINC000069703529 184839116 /nfs/dbraw/zinc/83/91/16/184839116.db2.gz WJLMCUYEWFJIHX-GFCCVEGCSA-N 0 0 321.381 0.798 50 0 DCAARN CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccnc2ccnn21 ZINC000071888861 184889415 /nfs/dbraw/zinc/88/94/15/184889415.db2.gz CZNZONJYHIKYNM-JTQLQIEISA-N 0 0 323.378 0.482 50 0 DCAARN C[C@@H](O)C(=O)N1CCN(C(=O)N[C@H](C2CC2)C(F)(F)F)CC1 ZINC000332112609 533571113 /nfs/dbraw/zinc/57/11/13/533571113.db2.gz FOQWWHZORKPYQU-PSASIEDQSA-N 0 0 323.315 0.562 50 0 DCAARN Cc1cc(CNC(=O)N2CCN(c3ncccn3)CC2)n(C)n1 ZINC000284304684 131068304 /nfs/dbraw/zinc/06/83/04/131068304.db2.gz UOMHBBWFKZCLBI-UHFFFAOYSA-N 0 0 315.381 0.550 50 0 DCAARN COC[C@@H]1C[C@H](OC)CN1C(=O)c1ccnc(N2CCCC2)n1 ZINC000284550991 131091194 /nfs/dbraw/zinc/09/11/94/131091194.db2.gz IQHPMVKDHNAWDV-STQMWFEESA-N 0 0 320.393 0.953 50 0 DCAARN COC[C@@H]1C[C@H](OC)CN1C(=O)c1ccc2nnc(C)n2c1 ZINC000284598081 131096179 /nfs/dbraw/zinc/09/61/79/131096179.db2.gz MXYBMUNRYHSHER-STQMWFEESA-N 0 0 304.350 0.914 50 0 DCAARN C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCCO1 ZINC000026402461 134665384 /nfs/dbraw/zinc/66/53/84/134665384.db2.gz CXGJYSIZXLITIU-CHWSQXEVSA-N 0 0 305.382 0.876 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)COC(=O)C2CCC2)c2ccccc2O1 ZINC000029274079 134673438 /nfs/dbraw/zinc/67/34/38/134673438.db2.gz YZNABHQOCRQODH-ZDUSSCGKSA-N 0 0 318.329 0.609 50 0 DCAARN CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCCO)CO2 ZINC000067432757 134834175 /nfs/dbraw/zinc/83/41/75/134834175.db2.gz ZMILNFOIZYKHBP-LBPRGKRZSA-N 0 0 321.377 0.084 50 0 DCAARN CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000008225336 395684248 /nfs/dbraw/zinc/68/42/48/395684248.db2.gz MMAYWGLMVSAFIK-UHFFFAOYSA-N 0 0 321.196 0.816 50 0 DCAARN O=C(CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1)NC1CC1 ZINC000008261798 395684341 /nfs/dbraw/zinc/68/43/41/395684341.db2.gz ZWBMWSTXHJGXNS-SSDOTTSWSA-N 0 0 317.392 0.342 50 0 DCAARN COCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000008380642 395684563 /nfs/dbraw/zinc/68/45/63/395684563.db2.gz RXLPLGIAUNAHHN-UHFFFAOYSA-N 0 0 316.354 0.305 50 0 DCAARN COc1ccc(CCNC(=O)CSc2nc(N)n[nH]2)cc1 ZINC000008487458 395684601 /nfs/dbraw/zinc/68/46/01/395684601.db2.gz HOMUUPSXJVNPIQ-UHFFFAOYSA-N 0 0 307.379 0.847 50 0 DCAARN COCCNC(=O)c1nn(-c2ccc(Cl)cc2)nc1CO ZINC000008613491 395684768 /nfs/dbraw/zinc/68/47/68/395684768.db2.gz FBZAUAPFVPLIAY-UHFFFAOYSA-N 0 0 310.741 0.789 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000009037238 395685007 /nfs/dbraw/zinc/68/50/07/395685007.db2.gz PKVPHTIBSWWWKG-VIFPVBQESA-N 0 0 312.347 0.317 50 0 DCAARN CNC(=O)CCNS(=O)(=O)c1ccccc1Br ZINC000009647758 395685478 /nfs/dbraw/zinc/68/54/78/395685478.db2.gz QQEXJDLKQKKYJY-UHFFFAOYSA-N 0 0 321.196 0.864 50 0 DCAARN Cc1ccc(C(N)=O)c(OCc2nc(N)nc(N(C)C)n2)c1 ZINC000010030341 395685782 /nfs/dbraw/zinc/68/57/82/395685782.db2.gz YQXZJUUEXOLRSB-UHFFFAOYSA-N 0 0 302.338 0.506 50 0 DCAARN CCNc1nnc(SCc2cc(=O)n(C)c(=O)n2C)s1 ZINC000010030327 395685832 /nfs/dbraw/zinc/68/58/32/395685832.db2.gz GCVMDUCXGIUAES-UHFFFAOYSA-N 0 0 313.408 0.660 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000010270937 395686044 /nfs/dbraw/zinc/68/60/44/395686044.db2.gz BZIVEGWYFZOQIS-UHFFFAOYSA-N 0 0 322.390 0.717 50 0 DCAARN COCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC000010324024 395686053 /nfs/dbraw/zinc/68/60/53/395686053.db2.gz OJKCVRSGPFRGNL-JTQLQIEISA-N 0 0 312.391 0.773 50 0 DCAARN CCN(C(=O)CSc1nncs1)[C@H]1CCS(=O)(=O)C1 ZINC000010416915 395686104 /nfs/dbraw/zinc/68/61/04/395686104.db2.gz RPMDKZWJXNRYMA-QMMMGPOBSA-N 0 0 321.449 0.666 50 0 DCAARN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)OCc1nc(N)nc(N)n1 ZINC000010955427 395686297 /nfs/dbraw/zinc/68/62/97/395686297.db2.gz XAQXGSBDKWGTCX-HQJQHLMTSA-N 0 0 317.305 0.308 50 0 DCAARN C[C@@H](O)CN1CC2=C(C1=O)[C@@H](c1ccccc1F)NC(=O)N2 ZINC000011665675 395686624 /nfs/dbraw/zinc/68/66/24/395686624.db2.gz XSMYZHFBRMLSQG-AMIZOPFISA-N 0 0 305.309 0.657 50 0 DCAARN COc1cccc(NC(=O)Cn2cnc3c(nnn3C)c2=O)c1 ZINC000012443924 395687576 /nfs/dbraw/zinc/68/75/76/395687576.db2.gz ICYSMYUFYXXMJT-UHFFFAOYSA-N 0 0 314.305 0.172 50 0 DCAARN COc1ccc(N2C[C@@H](C(=O)Nc3nc[nH]n3)CC2=O)cc1 ZINC000012391057 395687675 /nfs/dbraw/zinc/68/76/75/395687675.db2.gz PJPPVRGBWCTVMG-VIFPVBQESA-N 0 0 301.306 0.805 50 0 DCAARN CSc1ccc(CN(C)C(=O)Cn2ccc(=O)[nH]c2=O)cc1 ZINC000012821328 395687999 /nfs/dbraw/zinc/68/79/99/395687999.db2.gz YGTCMMJCSVOAIA-UHFFFAOYSA-N 0 0 319.386 0.917 50 0 DCAARN CCOCCCNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000012746330 395688070 /nfs/dbraw/zinc/68/80/70/395688070.db2.gz LVHRNZITQRXUCO-UHFFFAOYSA-N 0 0 319.361 0.895 50 0 DCAARN c1cc(NCc2ccc(N3CCOCC3)nc2)nn2nnnc12 ZINC000012913554 395688116 /nfs/dbraw/zinc/68/81/16/395688116.db2.gz WXUAHNUVYQZBRF-UHFFFAOYSA-N 0 0 312.337 0.363 50 0 DCAARN NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000012998374 395688279 /nfs/dbraw/zinc/68/82/79/395688279.db2.gz TUYDNDFKBAITEN-UHFFFAOYSA-N 0 0 318.420 0.899 50 0 DCAARN CCS(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1 ZINC000013009256 395688288 /nfs/dbraw/zinc/68/82/88/395688288.db2.gz UJEJUGZBIALSCQ-UHFFFAOYSA-N 0 0 322.394 0.134 50 0 DCAARN CNC(=O)C1CCN(Cn2nc(-c3cccs3)oc2=O)CC1 ZINC000013007987 395688311 /nfs/dbraw/zinc/68/83/11/395688311.db2.gz ATMFMWRMVIPVDR-UHFFFAOYSA-N 0 0 322.390 0.980 50 0 DCAARN COc1cccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H](O4)[C@@H]3C2=O)c1 ZINC000013144156 395688400 /nfs/dbraw/zinc/68/84/00/395688400.db2.gz IGKRMRJBZRFISX-RNJOBUHISA-N 0 0 314.297 0.278 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N[C@@H](C)c1ccccc1 ZINC000013581989 395688630 /nfs/dbraw/zinc/68/86/30/395688630.db2.gz AJWUINJMCUABBG-QMMMGPOBSA-N 0 0 309.347 0.411 50 0 DCAARN Cn1nnc2c1ncnc2N1CCN(C(=O)c2ccccc2)CC1 ZINC000013532429 395688670 /nfs/dbraw/zinc/68/86/70/395688670.db2.gz CSPFPWPRJPMFKW-UHFFFAOYSA-N 0 0 323.360 0.721 50 0 DCAARN COc1cccc(CN2C(=S)N[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000013626372 395688708 /nfs/dbraw/zinc/68/87/08/395688708.db2.gz UNZRSVYPDIXITB-NWDGAFQWSA-N 0 0 312.416 0.551 50 0 DCAARN O=C1[C@@H]2[C@H]3C[C@@H]([C@H]2C(=O)N1c1cccc(Cl)c1)[C@H](O)[C@H]3O ZINC000013656078 395688802 /nfs/dbraw/zinc/68/88/02/395688802.db2.gz JHVMYMCZPFIKFZ-ISFYIQIJSA-N 0 0 307.733 0.817 50 0 DCAARN Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc3c(c1)OCO3)C(=O)N2 ZINC000013728545 395688921 /nfs/dbraw/zinc/68/89/21/395688921.db2.gz OAPPXYORBJRRHQ-VIFPVBQESA-N 0 0 315.289 0.837 50 0 DCAARN CCS(=O)(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000013848887 395688931 /nfs/dbraw/zinc/68/89/31/395688931.db2.gz RJUVKLGOBBNHNT-UHFFFAOYSA-N 0 0 312.391 0.850 50 0 DCAARN C[C@@H](Sc1nncs1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000014139871 395689283 /nfs/dbraw/zinc/68/92/83/395689283.db2.gz DYZHQVAGMMBXQK-SFYZADRCSA-N 0 0 321.449 0.664 50 0 DCAARN CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)COC)cc1 ZINC000014234360 395689321 /nfs/dbraw/zinc/68/93/21/395689321.db2.gz DYLRHPNIIUOGRX-SNVBAGLBSA-N 0 0 300.380 0.750 50 0 DCAARN Cn1ccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)n1 ZINC000014899626 395689673 /nfs/dbraw/zinc/68/96/73/395689673.db2.gz IETQXLJBDYRZKG-UHFFFAOYSA-N 0 0 302.290 0.517 50 0 DCAARN C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cccc(F)c3F)CN2C1=O ZINC000014744201 395689699 /nfs/dbraw/zinc/68/96/99/395689699.db2.gz RXWAIUPFMYQUAW-LAEOZQHASA-N 0 0 323.299 0.182 50 0 DCAARN Cn1cc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cn1 ZINC000024502381 395693004 /nfs/dbraw/zinc/69/30/04/395693004.db2.gz KGXGHHVDZORKHT-UHFFFAOYSA-N 0 0 305.382 0.784 50 0 DCAARN C[C@H](C(=O)N1CCOCC1)N(c1ccccc1)S(C)(=O)=O ZINC000000080450 395679869 /nfs/dbraw/zinc/67/98/69/395679869.db2.gz LGMRBAGDHMZUAX-GFCCVEGCSA-N 0 0 312.391 0.700 50 0 DCAARN COc1ccc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000000182410 395679977 /nfs/dbraw/zinc/67/99/77/395679977.db2.gz GYBGXDCJFVAGSI-SNVBAGLBSA-N 0 0 308.334 0.970 50 0 DCAARN CC(C)CCn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000192124 395679995 /nfs/dbraw/zinc/67/99/95/395679995.db2.gz WFTITDKHVHHYSX-UHFFFAOYSA-N 0 0 321.381 0.306 50 0 biogenic DCAARN COC(=O)c1nnn(CC(=O)Nc2ccc(C)cc2C)c1N ZINC000000248744 395680113 /nfs/dbraw/zinc/68/01/13/395680113.db2.gz GKKJCNAAKSLYFH-UHFFFAOYSA-N 0 0 303.322 0.902 50 0 DCAARN O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCOCC1 ZINC000000280878 395680168 /nfs/dbraw/zinc/68/01/68/395680168.db2.gz KQBMRBZBSXQZCA-UHFFFAOYSA-N 0 0 302.330 0.922 50 0 DCAARN COC(=O)Cc1c(C)c2ccc(OCC(N)=O)c(C)c2oc1=O ZINC000000489430 395680379 /nfs/dbraw/zinc/68/03/79/395680379.db2.gz GOEYCMOWDVLSCO-UHFFFAOYSA-N 0 0 319.313 0.989 50 0 DCAARN O=C(c1ccco1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000000428274 395680475 /nfs/dbraw/zinc/68/04/75/395680475.db2.gz INQAFFJASBOCLX-UHFFFAOYSA-N 0 0 321.358 0.821 50 0 DCAARN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000000615171 395680584 /nfs/dbraw/zinc/68/05/84/395680584.db2.gz CKBIMYBSIODKDU-RYUDHWBXSA-N 0 0 312.391 0.649 50 0 DCAARN Cc1cn([C@H](NC=O)C(Cl)(Cl)Cl)c(=O)[nH]c1=O ZINC000000967458 395680607 /nfs/dbraw/zinc/68/06/07/395680607.db2.gz PBWUKOLXZFWBLL-LURJTMIESA-N 0 0 300.529 0.460 50 0 DCAARN O=S(=O)(Cc1ccc(Cl)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000001039699 395680644 /nfs/dbraw/zinc/68/06/44/395680644.db2.gz YDAFJEUFNUZORA-WDEREUQCSA-N 0 0 324.807 0.413 50 0 DCAARN CCOC(=O)c1nnn(-c2nc(N(C)C)nc(N(C)C)n2)c1C ZINC000001446069 395680737 /nfs/dbraw/zinc/68/07/37/395680737.db2.gz VIEPPEDTBIHWTF-UHFFFAOYSA-N 0 0 320.357 0.069 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(N)=O)cc1OC ZINC000001440923 395680780 /nfs/dbraw/zinc/68/07/80/395680780.db2.gz NPQHRLOMEMYJOO-JTQLQIEISA-N 0 0 314.363 0.342 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCSc2nnnn2C)cc1 ZINC000001774099 395681116 /nfs/dbraw/zinc/68/11/16/395681116.db2.gz XIJATPBJDDHUIC-UHFFFAOYSA-N 0 0 313.408 0.589 50 0 DCAARN CCOC(=O)[C@H]1C(=O)NC(N2CCOCC2)=N[C@H]1c1ccco1 ZINC000002436916 395681522 /nfs/dbraw/zinc/68/15/22/395681522.db2.gz UUNXEQBSBBXKBH-NEPJUHHUSA-N 0 0 321.333 0.318 50 0 DCAARN CSCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000002384779 395681550 /nfs/dbraw/zinc/68/15/50/395681550.db2.gz PESQCPHRXOFIPX-RYUDHWBXSA-N 0 0 312.391 0.585 50 0 endogenous,in-man DCAARN CCCCn1c(N)c(C(=S)NC(=O)C2CC2)c(=O)[nH]c1=O ZINC000002622182 395681657 /nfs/dbraw/zinc/68/16/57/395681657.db2.gz NAWOFMPZDPPZPK-UHFFFAOYSA-N 0 0 310.379 0.121 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CC2)c1 ZINC000002637284 395681734 /nfs/dbraw/zinc/68/17/34/395681734.db2.gz MQDMVHYPKWZPFI-UHFFFAOYSA-N 0 0 312.347 0.030 50 0 DCAARN CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000002733745 395681781 /nfs/dbraw/zinc/68/17/81/395681781.db2.gz WYYHCYHJBQFQBG-NSHDSACASA-N 0 0 314.411 0.265 50 0 DCAARN CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000002733746 395681803 /nfs/dbraw/zinc/68/18/03/395681803.db2.gz WYYHCYHJBQFQBG-LLVKDONJSA-N 0 0 314.411 0.265 50 0 DCAARN COc1ccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000003155080 395682258 /nfs/dbraw/zinc/68/22/58/395682258.db2.gz UXCLDPXDMGLFQG-UHFFFAOYSA-N 0 0 311.319 0.181 50 0 DCAARN O=C(NCCO)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000003208052 395682434 /nfs/dbraw/zinc/68/24/34/395682434.db2.gz GKNAWIIJTLOHNT-UHFFFAOYSA-N 0 0 312.391 0.583 50 0 DCAARN COc1ccc(NC(=O)COC(=O)CNC(C)=O)c(OC)c1 ZINC000003250257 395682441 /nfs/dbraw/zinc/68/24/41/395682441.db2.gz QQTIMNASDOYQBH-UHFFFAOYSA-N 0 0 310.306 0.322 50 0 DCAARN COc1ccc(NC(=O)C(=O)NCCCn2ccnc2C)cn1 ZINC000004623136 395682511 /nfs/dbraw/zinc/68/25/11/395682511.db2.gz PKSSDIHMJSYHSD-UHFFFAOYSA-N 0 0 317.349 0.740 50 0 DCAARN COCCNc1nnc(SCC(=O)N2CCNC2=O)s1 ZINC000005078497 395682580 /nfs/dbraw/zinc/68/25/80/395682580.db2.gz UDNXNPYGORWYHF-UHFFFAOYSA-N 0 0 317.396 0.240 50 0 DCAARN O=S1(=O)C[C@@H]2NC(=S)N(c3ccc4c(c3)OCO4)[C@@H]2C1 ZINC000006670332 395683134 /nfs/dbraw/zinc/68/31/34/395683134.db2.gz QSAICIIZNHTYKH-DTWKUNHWSA-N 0 0 312.372 0.275 50 0 DCAARN C[C@@H](O)CN1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 ZINC000085467247 395701249 /nfs/dbraw/zinc/70/12/49/395701249.db2.gz QYJIDEOQQLHOSV-SNVBAGLBSA-N 0 0 320.361 0.652 50 0 DCAARN CS(=O)(=O)NC[C@H](Cc1cccc(F)c1)N1CCNC1=O ZINC000085467784 395701266 /nfs/dbraw/zinc/70/12/66/395701266.db2.gz RVUDCQJQFMHPPC-LBPRGKRZSA-N 0 0 315.370 0.311 50 0 DCAARN O=C(CN1C(=O)CCC1=O)NC[C@@]1(O)CCc2ccccc2C1 ZINC000085559829 395701577 /nfs/dbraw/zinc/70/15/77/395701577.db2.gz DGIIBBBNFMOPER-QGZVFWFLSA-N 0 0 316.357 0.172 50 0 DCAARN O=C(NN1CN=NC1=S)C1CCN(C(=O)c2ccoc2)CC1 ZINC000030564113 395702815 /nfs/dbraw/zinc/70/28/15/395702815.db2.gz RKYBTQWJXQOMMF-UHFFFAOYSA-N 0 0 321.362 0.782 50 0 DCAARN Cc1c2c(=O)[nH]n(C)c2[nH]c(=O)c1CCC(=O)N[C@H](C)C1CC1 ZINC000030598679 395703436 /nfs/dbraw/zinc/70/34/36/395703436.db2.gz JYAYSMHRLHCVRA-SECBINFHSA-N 0 0 318.377 0.711 50 0 DCAARN COC(=O)CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000030697439 395704045 /nfs/dbraw/zinc/70/40/45/395704045.db2.gz IZFRCPFRXGUKCT-SNVBAGLBSA-N 0 0 310.375 0.890 50 0 DCAARN CN(Cc1ccc2c(c1)OCO2)C(=O)Cn1cccnc1=O ZINC000031782017 395708176 /nfs/dbraw/zinc/70/81/76/395708176.db2.gz LHXXMQQBEORULG-UHFFFAOYSA-N 0 0 301.302 0.631 50 0 DCAARN O=C(NC[C@]1(N2CCOCC2)CCSC1)c1cnccn1 ZINC000031941444 395708421 /nfs/dbraw/zinc/70/84/21/395708421.db2.gz RWACFCRPWNHXTH-CQSZACIVSA-N 0 0 308.407 0.414 50 0 DCAARN O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc[nH]c1=O ZINC000031937966 395708550 /nfs/dbraw/zinc/70/85/50/395708550.db2.gz WBNJRUGZTBNTKH-HNNXBMFYSA-N 0 0 323.418 0.313 50 0 DCAARN O=C(C[C@H]1Sc2ccccc2NC1=O)NN1CC(=O)NC1=O ZINC000031907496 395708682 /nfs/dbraw/zinc/70/86/82/395708682.db2.gz GXNRDNQXZHEFIU-SECBINFHSA-N 0 0 320.330 0.073 50 0 DCAARN CCS(=O)(=O)NCCCN1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000089274468 395709192 /nfs/dbraw/zinc/70/91/92/395709192.db2.gz VZYAWGCKCJTFHR-CHWSQXEVSA-N 0 0 317.455 0.116 50 0 DCAARN CN(C)[C@H](CNC(=O)N1CCC(C(N)=O)CC1)c1ccco1 ZINC000089312216 395710027 /nfs/dbraw/zinc/71/00/27/395710027.db2.gz GRUKQGYFCQZVRG-GFCCVEGCSA-N 0 0 308.382 0.789 50 0 DCAARN COC(=O)c1cnc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000032628397 395711476 /nfs/dbraw/zinc/71/14/76/395711476.db2.gz UEWKLVJLHRGJCH-UHFFFAOYSA-N 0 0 320.754 0.543 50 0 DCAARN Cn1c(=O)ccn(CC(=O)N[C@H]2CCOc3ccccc32)c1=O ZINC000032710177 395712904 /nfs/dbraw/zinc/71/29/04/395712904.db2.gz HMKURGXRKHKJPL-LBPRGKRZSA-N 0 0 315.329 0.187 50 0 DCAARN Cc1ccc(NC(=O)N[C@@H](C)CO)cc1NC(=O)N[C@@H](C)CO ZINC000032779573 395713120 /nfs/dbraw/zinc/71/31/20/395713120.db2.gz HSDWQNBWRAIATL-QWRGUYRKSA-N 0 0 324.381 1.000 50 0 DCAARN Cc1ccccc1OCC(=O)O[C@H](C)C(=O)N1CCNC1=O ZINC000032774299 395713300 /nfs/dbraw/zinc/71/33/00/395713300.db2.gz XUTUJSAPMCOFNG-LLVKDONJSA-N 0 0 306.318 0.857 50 0 DCAARN CC(C)OC(=O)CCNC(=O)c1cccc(-n2cnnn2)c1 ZINC000032820843 395713632 /nfs/dbraw/zinc/71/36/32/395713632.db2.gz QRANUAUSHUIOQI-UHFFFAOYSA-N 0 0 303.322 0.734 50 0 DCAARN C[C@H](NCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1F ZINC000032811068 395713860 /nfs/dbraw/zinc/71/38/60/395713860.db2.gz XZXJSMUNNTZUDI-QWRGUYRKSA-N 0 0 314.382 0.780 50 0 DCAARN CN(C)C(=O)[C@H]1CCCN1CC(=O)Nc1sccc1C(N)=O ZINC000032851149 395714270 /nfs/dbraw/zinc/71/42/70/395714270.db2.gz OKAOSJNGCBHFOV-SNVBAGLBSA-N 0 0 324.406 0.338 50 0 DCAARN Cn1cc(CN2CCCN(CC(=O)NCC3CC3)CC2)cn1 ZINC000089755749 395714946 /nfs/dbraw/zinc/71/49/46/395714946.db2.gz NGIYXOUQVFCYFH-UHFFFAOYSA-N 0 0 305.426 0.454 50 0 DCAARN O=C(C1CCN(c2ccc(Cl)cn2)CC1)N1CCNC(=O)C1 ZINC000033224974 395717113 /nfs/dbraw/zinc/71/71/13/395717113.db2.gz NBGDOVXDDBMQKS-UHFFFAOYSA-N 0 0 322.796 0.910 50 0 DCAARN O=c1n(CCNc2ccc(-n3cnnn3)cc2)nc2ccccn21 ZINC000036829798 395724580 /nfs/dbraw/zinc/72/45/80/395724580.db2.gz IKKKUOKLMVNJNS-UHFFFAOYSA-N 0 0 322.332 0.584 50 0 DCAARN COc1cc(N)c(C(N)=O)cc1OCCCN1CCOCC1 ZINC000035978009 395721965 /nfs/dbraw/zinc/72/19/65/395721965.db2.gz HFUBNPPCNQAACT-UHFFFAOYSA-N 0 0 309.366 0.477 50 0 DCAARN COCCNC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O ZINC000036594112 395723307 /nfs/dbraw/zinc/72/33/07/395723307.db2.gz OYKJXALJBRGNPX-GFCCVEGCSA-N 0 0 305.334 0.929 50 0 DCAARN COCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 ZINC000028263137 395695960 /nfs/dbraw/zinc/69/59/60/395695960.db2.gz OSGQZEGOLYRSBE-LLVKDONJSA-N 0 0 322.361 0.819 50 0 DCAARN Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000029195613 395697330 /nfs/dbraw/zinc/69/73/30/395697330.db2.gz ADKVJRRCPDKABX-LLVKDONJSA-N 0 0 314.411 0.191 50 0 DCAARN Cc1noc([C@H](C)N2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)n1 ZINC000084281606 395697392 /nfs/dbraw/zinc/69/73/92/395697392.db2.gz MEPKGGHBKYYOGE-LKFCYVNXSA-N 0 0 307.354 0.844 50 0 DCAARN CC[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@@H]1N1CCOCC1 ZINC000084735659 395698693 /nfs/dbraw/zinc/69/86/93/395698693.db2.gz BFKWUGSFDXXAGZ-OLZOCXBDSA-N 0 0 309.410 0.082 50 0 DCAARN CCNC(=O)NC(=O)CN1CCN(C(=O)CC2CCCC2)CC1 ZINC000029664238 395699125 /nfs/dbraw/zinc/69/91/25/395699125.db2.gz IFYSKIDYGFCVEG-UHFFFAOYSA-N 0 0 324.425 0.557 50 0 DCAARN CN(CCO)C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2)C[C@@H]1CO ZINC000091707123 395726986 /nfs/dbraw/zinc/72/69/86/395726986.db2.gz DDAFXDHENADQPS-HZPDHXFCSA-N 0 0 322.405 0.349 50 0 DCAARN Cc1nc2c(c(=O)[nH]1)CN(C(=O)Nc1cn(C(C)C)nn1)C2 ZINC000096163570 395746608 /nfs/dbraw/zinc/74/66/08/395746608.db2.gz MPTQSOZJCDEDBX-UHFFFAOYSA-N 0 0 303.326 0.798 50 0 DCAARN Cc1nc(-c2nc(C[C@H]3COCC[NH2+]3)n(CC(=O)[O-])n2)cs1 ZINC000096179591 395746848 /nfs/dbraw/zinc/74/68/48/395746848.db2.gz BDENMHUWJZTQIY-VIFPVBQESA-N 0 0 323.378 0.326 50 0 DCAARN CCCc1nnc(NC(=O)CNC(=O)c2cc(C)nn2C)s1 ZINC000096192408 395748308 /nfs/dbraw/zinc/74/83/08/395748308.db2.gz YYNTXLMUMUMBCQ-UHFFFAOYSA-N 0 0 322.394 0.901 50 0 DCAARN Cn1cc(C(=O)NCC2CCN(C(=O)c3ccoc3)CC2)nn1 ZINC000096120561 395745525 /nfs/dbraw/zinc/74/55/25/395745525.db2.gz FJNCODZJOYXKCV-UHFFFAOYSA-N 0 0 317.349 0.690 50 0 DCAARN CN(C)c1cccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C(=O)[O-])C2)c1 ZINC000096151280 395745924 /nfs/dbraw/zinc/74/59/24/395745924.db2.gz VUEZHXGVCQGVNR-GUYCJALGSA-N 0 0 317.389 0.841 50 0 DCAARN CC(C)Cn1cnc(S(=O)(=O)N2CCCn3ncnc32)c1 ZINC000096450991 395753756 /nfs/dbraw/zinc/75/37/56/395753756.db2.gz VBPYGRAPPZECMY-UHFFFAOYSA-N 0 0 310.383 0.730 50 0 DCAARN O=C([O-])[C@H]1C[NH2+]CCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000097447124 395758182 /nfs/dbraw/zinc/75/81/82/395758182.db2.gz HDYPOXQOOQBBLJ-LBPRGKRZSA-N 0 0 302.334 0.843 50 0 DCAARN CNC(=O)NCC(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000096492204 395754381 /nfs/dbraw/zinc/75/43/81/395754381.db2.gz VRBLONJDIGDRTI-LBPRGKRZSA-N 0 0 322.384 0.960 50 0 DCAARN Cc1ccccc1CNC(=O)CN1CC[NH2+]C[C@H](C(=O)[O-])C1 ZINC000097243804 395756683 /nfs/dbraw/zinc/75/66/83/395756683.db2.gz DAZLUTTWMAFWKA-AWEZNQCLSA-N 0 0 305.378 0.217 50 0 DCAARN Cc1nc(CN2CCN(C(=O)C3CC=CC3)C[C@@H](O)C2)c[nH]1 ZINC000097436947 395757607 /nfs/dbraw/zinc/75/76/07/395757607.db2.gz BUNCQRZOWIEUQF-HNNXBMFYSA-N 0 0 304.394 0.689 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000046889711 395782294 /nfs/dbraw/zinc/78/22/94/395782294.db2.gz JXDLAMNHFMUMKR-GXTWGEPZSA-N 0 0 317.389 0.949 50 0 DCAARN C[C@@H]1CN(C[C@@H](O)CN2CCc3c(ncn3C)C2)C[C@H](C)O1 ZINC000106666421 395783264 /nfs/dbraw/zinc/78/32/64/395783264.db2.gz HKACZSQHNXZJHZ-MJBXVCDLSA-N 0 0 308.426 0.248 50 0 DCAARN O=C(NCc1ccnc(N2CCOCC2)c1)c1ccc(=O)[nH]c1 ZINC000044909431 395759887 /nfs/dbraw/zinc/75/98/87/395759887.db2.gz DYTOITFQUAPLRK-UHFFFAOYSA-N 0 0 314.345 0.537 50 0 DCAARN COC(=O)CC(=Nc1ccc(C(C)=O)cc1)C(=O)NCCO ZINC000101525392 395764788 /nfs/dbraw/zinc/76/47/88/395764788.db2.gz XVUZRSBKQVLWKL-UKTHLTGXSA-N 0 0 306.318 0.467 50 0 DCAARN CCCCN(C)S(=O)(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000045741654 395765361 /nfs/dbraw/zinc/76/53/61/395765361.db2.gz XIQXMMQHPBAODF-LBPRGKRZSA-N 0 0 315.443 0.971 50 0 DCAARN O=C(CC1=CSC2=NCCN12)N1CCC[C@]2(CNC(=O)O2)C1 ZINC000102295879 395769601 /nfs/dbraw/zinc/76/96/01/395769601.db2.gz PVSVNVWXCZVPEH-AWEZNQCLSA-N 0 0 322.390 0.737 50 0 DCAARN CCN1C[C@H](C(=O)N2CCN(Cc3ccncc3)CC2)CC1=O ZINC000046162761 395771471 /nfs/dbraw/zinc/77/14/71/395771471.db2.gz UOQPQQLSICYNGB-OAHLLOKOSA-N 0 0 316.405 0.594 50 0 DCAARN CN(C)C(=O)CNC(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000048070503 395807061 /nfs/dbraw/zinc/80/70/61/395807061.db2.gz CWCJBIJRWJTTAR-UHFFFAOYSA-N 0 0 307.354 0.128 50 0 DCAARN CN(C)[C@@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccco1 ZINC000048289063 395812406 /nfs/dbraw/zinc/81/24/06/395812406.db2.gz QDSXEIZVLRBDIT-NEPJUHHUSA-N 0 0 308.382 0.789 50 0 DCAARN CS(=O)(=O)c1ccc(-n2ccnc2)c(S(C)(=O)=O)c1 ZINC000048367262 395814194 /nfs/dbraw/zinc/81/41/94/395814194.db2.gz SSZRIBYLKZSWGS-UHFFFAOYSA-N 0 0 300.361 0.679 50 0 DCAARN COCCn1c(C)c(C)nc1S[C@H](C)C(=O)NC(N)=O ZINC000048411579 395815218 /nfs/dbraw/zinc/81/52/18/395815218.db2.gz YGGMAEPPLQOQCN-SECBINFHSA-N 0 0 300.384 0.822 50 0 DCAARN COc1cc(NC(=O)C(=O)NCCCO)c(OC)cc1Cl ZINC000048602577 395819124 /nfs/dbraw/zinc/81/91/24/395819124.db2.gz OZJDFPFZJGOVNH-UHFFFAOYSA-N 0 0 316.741 0.794 50 0 DCAARN C[C@H]1NC(=S)N(Cc2ccc(NS(C)(=O)=O)cc2)C1=O ZINC000048642166 395821094 /nfs/dbraw/zinc/82/10/94/395821094.db2.gz XTMDQRLADZHPPM-MRVPVSSYSA-N 0 0 313.404 0.663 50 0 DCAARN COc1ccc(NC(=O)Cn2c(N)nc(C)cc2=O)cc1F ZINC000049410856 395832081 /nfs/dbraw/zinc/83/20/81/395832081.db2.gz LFCUGGDNMJQXKV-UHFFFAOYSA-N 0 0 306.297 0.920 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cnc2c(F)cccc2c1O ZINC000049544427 395832692 /nfs/dbraw/zinc/83/26/92/395832692.db2.gz INACSLSKNQXOKH-MRVPVSSYSA-N 0 0 324.333 0.996 50 0 DCAARN CC(=O)N1CCC(C(=O)N2CC[C@H](Oc3cccnn3)C2)CC1 ZINC000225410209 395860298 /nfs/dbraw/zinc/86/02/98/395860298.db2.gz UJIWSVLDJFEYNR-AWEZNQCLSA-N 0 0 318.377 0.715 50 0 DCAARN Cc1cc(CC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)on1 ZINC000218869089 395843652 /nfs/dbraw/zinc/84/36/52/395843652.db2.gz GNHIOLAAYJYKQC-UHFFFAOYSA-N 0 0 320.349 0.411 50 0 DCAARN COCc1cc(CNC(=O)[C@@H](O)c2ccc(OC)cc2)[nH]n1 ZINC000219073035 395844810 /nfs/dbraw/zinc/84/48/10/395844810.db2.gz RPKTWXDTAQWVLG-AWEZNQCLSA-N 0 0 305.334 0.915 50 0 DCAARN NC(=O)CO[C@@H]1COCC[C@H]1NC(=O)NCCc1ccccc1 ZINC000219329718 395845616 /nfs/dbraw/zinc/84/56/16/395845616.db2.gz GKLWDPRDUNIXDY-ZIAGYGMSSA-N 0 0 321.377 0.188 50 0 DCAARN CCc1nc(CNC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)cs1 ZINC000219756907 395846062 /nfs/dbraw/zinc/84/60/62/395846062.db2.gz VYOHQOOSTSYORA-LBPRGKRZSA-N 0 0 321.406 0.792 50 0 DCAARN OC[C@H](O)c1cc2n(n1)CCN(Cc1nc3ccccc3[nH]1)C2 ZINC000219736096 395846217 /nfs/dbraw/zinc/84/62/17/395846217.db2.gz MBZAUYISXMDDGY-HNNXBMFYSA-N 0 0 313.361 0.801 50 0 DCAARN CSCc1noc(CNC(=O)Cc2c(C)nc(C)[nH]c2=O)n1 ZINC000219752018 395846535 /nfs/dbraw/zinc/84/65/35/395846535.db2.gz LASZDUPRUKUIJH-UHFFFAOYSA-N 0 0 323.378 0.492 50 0 DCAARN CCCn1cc(CN2CCn3nc([C@@H](O)CO)cc3C2)c(C)n1 ZINC000219881068 395847230 /nfs/dbraw/zinc/84/72/30/395847230.db2.gz ZQLQKJZYZYNWEO-INIZCTEOSA-N 0 0 319.409 0.840 50 0 DCAARN Cc1onc(C(=O)N[C@@H]2CCOC[C@H]2OCC2CC2)c1CO ZINC000220174022 395847692 /nfs/dbraw/zinc/84/76/92/395847692.db2.gz TVJCSQPPYVFHAL-CHWSQXEVSA-N 0 0 310.350 0.789 50 0 DCAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCOC[C@H]1O ZINC000220757450 395849746 /nfs/dbraw/zinc/84/97/46/395849746.db2.gz JVXWXGGLTMZMDQ-VXGBXAGGSA-N 0 0 317.411 0.509 50 0 DCAARN COCCCn1cnnc1CNC(=O)[C@H](O)c1ccc(F)cc1 ZINC000221445172 395850823 /nfs/dbraw/zinc/85/08/23/395850823.db2.gz GCTSRWVJXFKEIL-CQSZACIVSA-N 0 0 322.340 0.804 50 0 DCAARN CC(C)Cc1cc(CNC(=O)c2cn(C)c(=O)[nH]c2=O)on1 ZINC000221378766 395851388 /nfs/dbraw/zinc/85/13/88/395851388.db2.gz MZPZMVUMRGQWPX-UHFFFAOYSA-N 0 0 306.322 0.190 50 0 DCAARN C[C@@H](NC(=O)c1ccc2nnnn2c1)c1nnc2ccccn21 ZINC000223224126 395853963 /nfs/dbraw/zinc/85/39/63/395853963.db2.gz CBSPMUPKIHZBRR-SECBINFHSA-N 0 0 308.305 0.658 50 0 DCAARN COCc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC(N)=O)cc1 ZINC000223295051 395855083 /nfs/dbraw/zinc/85/50/83/395855083.db2.gz LCKBAUPVMHDILS-KGLIPLIRSA-N 0 0 322.361 0.222 50 0 DCAARN Cc1nc(CC2CCN(C(=O)CN3CCCC3=O)CC2)no1 ZINC000223879300 395857252 /nfs/dbraw/zinc/85/72/52/395857252.db2.gz KZOBZQIVUVRNFL-UHFFFAOYSA-N 0 0 306.366 0.782 50 0 DCAARN CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCO[C@@H](C)C2)c1 ZINC000054276929 395896496 /nfs/dbraw/zinc/89/64/96/395896496.db2.gz YTHXPKDGYDDZKW-NSHDSACASA-N 0 0 312.391 0.764 50 0 DCAARN Cn1cc(CNC(=O)CCNS(=O)(=O)c2ccccc2)cn1 ZINC000054311365 395897139 /nfs/dbraw/zinc/89/71/39/395897139.db2.gz YEOMWYNAXHQFQN-UHFFFAOYSA-N 0 0 322.390 0.405 50 0 DCAARN C[C@@H](CC(=O)N1C[C@H]2OCCN(C)[C@H]2C1)NC(=O)C1CCCC1 ZINC000124058306 395899694 /nfs/dbraw/zinc/89/96/94/395899694.db2.gz CBEVRCZGVPMDHQ-AEGPPILISA-N 0 0 323.437 0.613 50 0 DCAARN Cc1ccc(N(CC(=O)N2CC[C@H](O)C2)S(C)(=O)=O)cc1 ZINC000055042297 395909670 /nfs/dbraw/zinc/90/96/70/395909670.db2.gz HXCFHLNDRPLIKZ-ZDUSSCGKSA-N 0 0 312.391 0.354 50 0 DCAARN NC(=O)N1CCC[C@@H](C(=O)NCCc2cn3ccccc3n2)C1 ZINC000055234201 395914130 /nfs/dbraw/zinc/91/41/30/395914130.db2.gz GSCMSYXMQBPEJG-GFCCVEGCSA-N 0 0 315.377 0.784 50 0 DCAARN CCc1nnc(SCC(=O)N[C@H](C(=O)OC)C(C)C)[nH]1 ZINC000055370283 395917900 /nfs/dbraw/zinc/91/79/00/395917900.db2.gz NCRYMUKMCAITKF-JTQLQIEISA-N 0 0 300.384 0.773 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)N1CCC[C@H]1c1ccccn1 ZINC000055523657 395919378 /nfs/dbraw/zinc/91/93/78/395919378.db2.gz CMXVIIXIFIDZCK-AWEZNQCLSA-N 0 0 323.418 0.476 50 0 DCAARN O=C(c1ccncc1)N1CCN(C2CCS(=O)(=O)CC2)CC1 ZINC000238946454 395923111 /nfs/dbraw/zinc/92/31/11/395923111.db2.gz WLZQRNLJWJRUGO-UHFFFAOYSA-N 0 0 323.418 0.417 50 0 DCAARN CN(C)S(=O)(=O)CCNC(=O)CC1Cc2ccccc2C1 ZINC000244828577 395925460 /nfs/dbraw/zinc/92/54/60/395925460.db2.gz TYTYIBOYHXARQY-UHFFFAOYSA-N 0 0 310.419 0.799 50 0 DCAARN CCC1=NO[C@@H](CN2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000244898863 395925908 /nfs/dbraw/zinc/92/59/08/395925908.db2.gz ZCZKTLBIRNPLGZ-CYBMUJFWSA-N 0 0 317.393 0.857 50 0 DCAARN Cc1nnc2c(N3CCN(C(=O)[C@@H]4CCOC4)CC3)nccn12 ZINC000245171665 395926636 /nfs/dbraw/zinc/92/66/36/395926636.db2.gz XOWCVFJDQGDHQC-GFCCVEGCSA-N 0 0 316.365 0.118 50 0 DCAARN CC(=O)NCc1nc(CN2C(=O)c3ccccc3C2=O)no1 ZINC000225525061 395861590 /nfs/dbraw/zinc/86/15/90/395861590.db2.gz LAZQNRLCGZBEAK-UHFFFAOYSA-N 0 0 300.274 0.502 50 0 DCAARN CCOCCC(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 ZINC000225722547 395863090 /nfs/dbraw/zinc/86/30/90/395863090.db2.gz VFKSHEDAAMTIHC-UHFFFAOYSA-N 0 0 307.350 0.528 50 0 DCAARN Cc1cc(S(=O)(=O)NC[C@H]2CN(C)CCO2)sc1C ZINC000271391304 395863391 /nfs/dbraw/zinc/86/33/91/395863391.db2.gz VRAKNNABDVKSHK-NSHDSACASA-N 0 0 304.437 0.974 50 0 DCAARN Cc1cc(-c2noc(CNC(=O)c3ccc[n+]([O-])c3)n2)no1 ZINC000225813214 395863625 /nfs/dbraw/zinc/86/36/25/395863625.db2.gz VJIAJAFEUXBOBW-UHFFFAOYSA-N 0 0 301.262 0.596 50 0 DCAARN COCCCNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1C ZINC000227167561 395867977 /nfs/dbraw/zinc/86/79/77/395867977.db2.gz OKFDLGUILZQWEC-UHFFFAOYSA-N 0 0 300.336 0.744 50 0 DCAARN Cc1ccn2cc(C(=O)NCC3(C(N)=O)CCOCC3)nc2c1 ZINC000052743430 395869290 /nfs/dbraw/zinc/86/92/90/395869290.db2.gz HOADESZHEWGDAD-UHFFFAOYSA-N 0 0 316.361 0.655 50 0 DCAARN O=C(CN1CCC[C@H](O)C1)NCCc1nc2cc(F)ccc2[nH]1 ZINC000230567067 395881836 /nfs/dbraw/zinc/88/18/36/395881836.db2.gz ZWXWFZVGFJRNNX-LBPRGKRZSA-N 0 0 320.368 0.817 50 0 DCAARN CN(C)S(=O)(=O)CCC[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121505134 395884865 /nfs/dbraw/zinc/88/48/65/395884865.db2.gz LPTDPESQQXIHTN-UHFFFAOYSA-N 0 0 317.455 0.212 50 0 DCAARN CS(=O)(=O)CCNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000057174247 395940263 /nfs/dbraw/zinc/94/02/63/395940263.db2.gz POLWJQUCIICOBC-CQSZACIVSA-N 0 0 310.419 0.812 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCN(c3ncccn3)CC2)on1 ZINC000057935184 395950176 /nfs/dbraw/zinc/95/01/76/395950176.db2.gz CLABKZZKNMVDOB-LBPRGKRZSA-N 0 0 316.365 0.922 50 0 DCAARN CC(C)OCCCNC(=O)[C@H]1CCCN(c2cn[nH]c(=O)c2)C1 ZINC000065313436 395992342 /nfs/dbraw/zinc/99/23/42/395992342.db2.gz SGELKFLKRJKAIV-ZDUSSCGKSA-N 0 0 322.409 0.918 50 0 DCAARN CCCn1ccnc1CN1CCN(c2cc(=O)nc(N)[nH]2)CC1 ZINC000065492442 395994143 /nfs/dbraw/zinc/99/41/43/395994143.db2.gz IFUCNUDGMMFCOP-UHFFFAOYSA-N 0 0 317.397 0.693 50 0 DCAARN CN(Cc1nc[nH]n1)S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000253416308 396028001 /nfs/dbraw/zinc/02/80/01/396028001.db2.gz YVLJAVYQIBOWEF-UHFFFAOYSA-N 0 0 308.363 0.950 50 0 DCAARN CCC(C)(CC)NC(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O ZINC000253431835 396028469 /nfs/dbraw/zinc/02/84/69/396028469.db2.gz UXZUTFCWDLVOFP-WDEREUQCSA-N 0 0 306.428 0.730 50 0 DCAARN CO[C@H]1C[C@H](C(=O)NC[C@H]2CC[C@H](C)C2)N(S(C)(=O)=O)C1 ZINC000253430543 396028556 /nfs/dbraw/zinc/02/85/56/396028556.db2.gz MNVLNCZVUVXEBD-ZDEQEGDKSA-N 0 0 318.439 0.588 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000253430235 396028691 /nfs/dbraw/zinc/02/86/91/396028691.db2.gz YAMGQLHMQZVQTK-JTQLQIEISA-N 0 0 300.384 0.933 50 0 DCAARN Cc1cc(C)n(-c2nonc2-c2nonc2-c2nonc2N)n1 ZINC000253470608 396028865 /nfs/dbraw/zinc/02/88/65/396028865.db2.gz OLMFCYOGAPQKLN-UHFFFAOYSA-N 0 0 315.253 0.554 50 0 DCAARN CCCc1cc(C(=O)N2CCC3(CC2)NCCNC3=O)no1 ZINC000067772366 396033165 /nfs/dbraw/zinc/03/31/65/396033165.db2.gz ZKSUYAAAGGQLAC-UHFFFAOYSA-N 0 0 306.366 0.321 50 0 DCAARN COc1cccc2c1OC[C@@H](C(=O)N1CCC(O)(CO)CC1)C2 ZINC000067758013 396033241 /nfs/dbraw/zinc/03/32/41/396033241.db2.gz OBMVQGODNOMALU-ZDUSSCGKSA-N 0 0 321.373 0.592 50 0 DCAARN Cc1cc(=O)[nH]c(CCNC(=O)c2ccc3c(c2)nnn3C)n1 ZINC000067757644 396033538 /nfs/dbraw/zinc/03/35/38/396033538.db2.gz SSOCSSZVYDSKSF-UHFFFAOYSA-N 0 0 312.333 0.333 50 0 DCAARN CC(C)Cc1n[nH]c(CCN(C)[C@H]2CCS(=O)(=O)C2)n1 ZINC000067804879 396033798 /nfs/dbraw/zinc/03/37/98/396033798.db2.gz PKVHWVSZMPUCOD-NSHDSACASA-N 0 0 300.428 0.665 50 0 DCAARN CC(=O)N1C[C@@H]2CCN(C(=O)C(C)C)C[C@]2(c2nc(C)no2)C1 ZINC000257174659 396034039 /nfs/dbraw/zinc/03/40/39/396034039.db2.gz JHCAZVDEPVNCMO-BBRMVZONSA-N 0 0 320.393 0.982 50 0 DCAARN Cn1nc(N2CC[C@H](NC(=O)Cc3cccs3)C2)ccc1=O ZINC000257184517 396034222 /nfs/dbraw/zinc/03/42/22/396034222.db2.gz IOZROZHMEILBJJ-NSHDSACASA-N 0 0 318.402 0.779 50 0 DCAARN CCN1C(=O)CCN(S(=O)(=O)CC)CC12CCOCC2 ZINC000257190705 396034669 /nfs/dbraw/zinc/03/46/69/396034669.db2.gz OXJOSHZXDUYHAG-UHFFFAOYSA-N 0 0 304.412 0.440 50 0 DCAARN COc1ccc(C(=O)N2C[C@@H](CO)[C@H](NC(C)=O)C2)cc1F ZINC000257187849 396035277 /nfs/dbraw/zinc/03/52/77/396035277.db2.gz CMNRAFYLNFSRQU-WCQYABFASA-N 0 0 310.325 0.403 50 0 DCAARN NS(=O)(=O)CCCC(=O)N[C@@H]1C(=O)Nc2ccc(F)cc21 ZINC000067872731 396037470 /nfs/dbraw/zinc/03/74/70/396037470.db2.gz GWZFMCDIQISTRX-NSHDSACASA-N 0 0 315.326 0.004 50 0 DCAARN O=C(NCCCn1ncc2ccccc21)c1cc(=O)[nH]c(=O)[nH]1 ZINC000067947282 396039659 /nfs/dbraw/zinc/03/96/59/396039659.db2.gz RNRNEBJBUIUXTI-UHFFFAOYSA-N 0 0 313.317 0.233 50 0 DCAARN CN1CCN2C[C@@H](NC(=O)C(=O)CCc3ccccc3)C[C@H]2C1 ZINC000067982885 396041654 /nfs/dbraw/zinc/04/16/54/396041654.db2.gz UKKZAWQERGGOLX-HOTGVXAUSA-N 0 0 315.417 0.693 50 0 DCAARN CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1nc(N)n[nH]1 ZINC000252481394 396019854 /nfs/dbraw/zinc/01/98/54/396019854.db2.gz CKJUGNGURDCTGL-MNOVXSKESA-N 0 0 322.413 0.726 50 0 DCAARN COCCn1cnnc1[C@H](C)NC(=O)Cc1c(C)noc1C ZINC000252479818 396020033 /nfs/dbraw/zinc/02/00/33/396020033.db2.gz BNGDXOFMYDBTII-JTQLQIEISA-N 0 0 307.354 0.949 50 0 DCAARN Cn1ccsc1=NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000252452406 396020114 /nfs/dbraw/zinc/02/01/14/396020114.db2.gz GXPZYJLLENAMCM-PHIMTYICSA-N 0 0 319.386 0.855 50 0 DCAARN Cc1n[nH]c(C)c1CC(=O)N1CCN(CC(=O)C2CC2)CC1 ZINC000252494597 396021093 /nfs/dbraw/zinc/02/10/93/396021093.db2.gz NZJHTGRSRXZIIS-UHFFFAOYSA-N 0 0 304.394 0.692 50 0 DCAARN COc1cc(C)nc(N2CCN(C(=O)C3CCOCC3)CC2)n1 ZINC000069740116 396088529 /nfs/dbraw/zinc/08/85/29/396088529.db2.gz CTODSCOMORPRGQ-UHFFFAOYSA-N 0 0 320.393 0.869 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000069739939 396088783 /nfs/dbraw/zinc/08/87/83/396088783.db2.gz MPWRHFVKSUETML-OAHLLOKOSA-N 0 0 324.396 0.910 50 0 DCAARN COc1cc(C)nc(N2CCN(C(=O)COCC3CC3)CC2)n1 ZINC000069740030 396088858 /nfs/dbraw/zinc/08/88/58/396088858.db2.gz DASMTVMXBOZPHF-UHFFFAOYSA-N 0 0 320.393 0.869 50 0 DCAARN O=C1OCC[C@@H]1N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000069771879 396089425 /nfs/dbraw/zinc/08/94/25/396089425.db2.gz DEBLDWGTTVAVKL-ZBFHGGJFSA-N 0 0 320.389 0.359 50 0 DCAARN Cc1nnc(NC(=O)CN2CCC[C@H]2Cn2cncn2)s1 ZINC000069819615 396091213 /nfs/dbraw/zinc/09/12/13/396091213.db2.gz LJWAUUQCQPYCOI-JTQLQIEISA-N 0 0 307.383 0.541 50 0 DCAARN Cn1c(CNC(=O)[C@H]2Cn3cccc3C(=O)N2)nc2ccccc21 ZINC000169784966 396092758 /nfs/dbraw/zinc/09/27/58/396092758.db2.gz DEHFXQBJUGLARI-GFCCVEGCSA-N 0 0 323.356 0.803 50 0 DCAARN COc1cccc(C(=O)NCCC2N=NC(=S)N2C)c1O ZINC000170623389 396095979 /nfs/dbraw/zinc/09/59/79/396095979.db2.gz UPZCQTGUOANMAF-UHFFFAOYSA-N 0 0 308.363 0.791 50 0 DCAARN COC(=O)[C@H](CNC(=O)OC(C)(C)C)N1CC[C@H](CO)C1 ZINC000170611936 396096121 /nfs/dbraw/zinc/09/61/21/396096121.db2.gz LJZFUCJMVFLCBI-QWRGUYRKSA-N 0 0 302.371 0.367 50 0 DCAARN CCOCCOC[C@@H](O)CNC(=O)c1ccc(OCC)nc1 ZINC000170611853 396096407 /nfs/dbraw/zinc/09/64/07/396096407.db2.gz PKRRDALMYXIEGI-ZDUSSCGKSA-N 0 0 312.366 0.624 50 0 DCAARN COc1nn(C)cc1C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000070638236 396102808 /nfs/dbraw/zinc/10/28/08/396102808.db2.gz CYMDKJKFCRTCOJ-UHFFFAOYSA-N 0 0 300.318 0.967 50 0 DCAARN CC(=O)N1CC(C(=O)Nc2cccc(NS(C)(=O)=O)c2)C1 ZINC000070815757 396105322 /nfs/dbraw/zinc/10/53/22/396105322.db2.gz XEYHKHREDLPYEW-UHFFFAOYSA-N 0 0 311.363 0.475 50 0 DCAARN O=C(NC1CCC(O)CC1)N1CCN(c2cccnn2)CC1 ZINC000171181430 396108657 /nfs/dbraw/zinc/10/86/57/396108657.db2.gz MDYOXBDXAQNWOC-UHFFFAOYSA-N 0 0 305.382 0.612 50 0 DCAARN COC(=O)CCNC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C ZINC000071185041 396110974 /nfs/dbraw/zinc/11/09/74/396110974.db2.gz JIJKPMYUOYVREK-SECBINFHSA-N 0 0 318.395 0.976 50 0 DCAARN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)onc2N)C1 ZINC000071195455 396111144 /nfs/dbraw/zinc/11/11/44/396111144.db2.gz FKLYKHNCRJZVCP-VIFPVBQESA-N 0 0 317.367 0.529 50 0 DCAARN COC(=O)[C@@H](C)NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000071286428 396111564 /nfs/dbraw/zinc/11/15/64/396111564.db2.gz BYVHLDAOSFWMSO-SECBINFHSA-N 0 0 303.318 0.154 50 0 DCAARN COC(=O)Cn1c(=O)nc2n1C(=O)N(c1cccc(Cl)c1)C2 ZINC000071283304 396111577 /nfs/dbraw/zinc/11/15/77/396111577.db2.gz GNIAGNSGPNUADW-UHFFFAOYSA-N 0 0 322.708 0.860 50 0 DCAARN CCc1cc(N2CC[NH2+][C@@H](C(=O)[O-])C2)nc(N2CCCCC2)n1 ZINC000071415602 396113515 /nfs/dbraw/zinc/11/35/15/396113515.db2.gz MZDZGKZKOGVBEF-CYBMUJFWSA-N 0 0 319.409 0.892 50 0 DCAARN CN(C[C@H]1CCCCO1)Cn1nnn(-c2cccs2)c1=O ZINC000071821672 396117021 /nfs/dbraw/zinc/11/70/21/396117021.db2.gz DRGBNEKOZBSVKH-LLVKDONJSA-N 0 0 309.395 0.949 50 0 DCAARN C[C@@H]1CN(C[C@H](O)Cn2ncc3ccccc3c2=O)C[C@H](C)O1 ZINC000071825070 396117247 /nfs/dbraw/zinc/11/72/47/396117247.db2.gz MBNRMGZISLNHAU-GUTXKFCHSA-N 0 0 317.389 0.867 50 0 DCAARN CN1N=C(C(=O)N2CCCN(c3nccs3)CC2)CCC1=O ZINC000071830688 396117934 /nfs/dbraw/zinc/11/79/34/396117934.db2.gz SBQQFVSBSAHKRV-UHFFFAOYSA-N 0 0 321.406 0.790 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000071841741 396118432 /nfs/dbraw/zinc/11/84/32/396118432.db2.gz MTYIEVRXVIKGHJ-GFCCVEGCSA-N 0 0 306.366 0.850 50 0 DCAARN CCOc1ccc(C[C@H](CNC(=O)c2cn[nH]n2)C(N)=O)cc1 ZINC000071841588 396118964 /nfs/dbraw/zinc/11/89/64/396118964.db2.gz CNTWROUEERQUBD-LLVKDONJSA-N 0 0 317.349 0.277 50 0 DCAARN Cn1nccc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000071863760 396119663 /nfs/dbraw/zinc/11/96/63/396119663.db2.gz CLDAFEWKTGFYSI-MRXNPFEDSA-N 0 0 314.389 0.912 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)CC1 ZINC000071871374 396120386 /nfs/dbraw/zinc/12/03/86/396120386.db2.gz UEDIRJWTEAIEQN-LLVKDONJSA-N 0 0 318.377 0.005 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)c2cc3ccccc3c(=O)[nH]2)CC1 ZINC000071871095 396120621 /nfs/dbraw/zinc/12/06/21/396120621.db2.gz PSBZORRLAVSIBA-GFCCVEGCSA-N 0 0 315.373 0.667 50 0 DCAARN CCOC(=O)c1cn(CN2CCNC(=O)C2)nc1C(F)(F)F ZINC000071890060 396123324 /nfs/dbraw/zinc/12/33/24/396123324.db2.gz URTRXAPPFDSFNO-UHFFFAOYSA-N 0 0 320.271 0.468 50 0 DCAARN O=C(CNC(=O)OCC(F)(F)F)N1CCN(C2CC2)CC1 ZINC000071896097 396123462 /nfs/dbraw/zinc/12/34/62/396123462.db2.gz DEYZQRYYWALZOL-UHFFFAOYSA-N 0 0 309.288 0.582 50 0 DCAARN C[C@@H](NC(=O)CN1CCCS(=O)(=O)CC1)c1ccccc1 ZINC000071893661 396123809 /nfs/dbraw/zinc/12/38/09/396123809.db2.gz VPTIEMBRLHCGJO-CYBMUJFWSA-N 0 0 310.419 0.984 50 0 DCAARN COc1c(C)cnc(CN2CCN(S(N)(=O)=O)CC2)c1C ZINC000071893601 396123862 /nfs/dbraw/zinc/12/38/62/396123862.db2.gz CCBAGUOGNNWQJM-UHFFFAOYSA-N 0 0 314.411 0.028 50 0 DCAARN CCc1cccc(C(=O)OC)c1NCC(=O)N1CCNC1=O ZINC000071913954 396125210 /nfs/dbraw/zinc/12/52/10/396125210.db2.gz DKHZLJPHEHHFCL-UHFFFAOYSA-N 0 0 305.334 0.999 50 0 DCAARN Cc1occc1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000071927912 396125479 /nfs/dbraw/zinc/12/54/79/396125479.db2.gz NYNFTIJDFWIUGM-GFCCVEGCSA-N 0 0 312.391 0.533 50 0 DCAARN CC1(C)NC(=O)N(CC(=O)N2CCC[C@@H](n3cccn3)C2)C1=O ZINC000071924410 396125678 /nfs/dbraw/zinc/12/56/78/396125678.db2.gz GAHJXXJHLMLZQH-LLVKDONJSA-N 0 0 319.365 0.377 50 0 DCAARN Cc1cn2c(n1)CC[C@@H](NC(=O)CCn1ccccc1=O)C2 ZINC000072278996 396129152 /nfs/dbraw/zinc/12/91/52/396129152.db2.gz LTUAYRPEMZNXHI-CYBMUJFWSA-N 0 0 300.362 0.875 50 0 DCAARN O=C(CN1CCC(=O)NC1=O)N1CCC[C@H](c2nccs2)C1 ZINC000072285105 396129888 /nfs/dbraw/zinc/12/98/88/396129888.db2.gz DQNSDQBFAWLDNW-JTQLQIEISA-N 0 0 322.390 0.791 50 0 DCAARN C[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000072290635 396129962 /nfs/dbraw/zinc/12/99/62/396129962.db2.gz CXTFDVUUKXXHAL-ZBEGNZNMSA-N 0 0 301.346 0.676 50 0 DCAARN CSC1=NCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000072297905 396130622 /nfs/dbraw/zinc/13/06/22/396130622.db2.gz UICNPYMOTHIYBW-UHFFFAOYSA-N 0 0 318.358 0.251 50 0 DCAARN COc1ccnc(N2CCN(C(=O)Cn3cccn3)CC2)n1 ZINC000069323939 396074740 /nfs/dbraw/zinc/07/47/40/396074740.db2.gz MJPBQJTYRFNERB-UHFFFAOYSA-N 0 0 302.338 0.031 50 0 DCAARN Cc1cc(NC(=O)CN2CCN(Cc3nccn3C)CC2)on1 ZINC000069454244 396078773 /nfs/dbraw/zinc/07/87/73/396078773.db2.gz LYPAINZEQVFTHD-UHFFFAOYSA-N 0 0 318.381 0.473 50 0 DCAARN CC(C)OCCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 ZINC000069481966 396080285 /nfs/dbraw/zinc/08/02/85/396080285.db2.gz GNBVQNGCAGYZLE-STQMWFEESA-N 0 0 318.439 0.179 50 0 DCAARN COC(=O)CNC(=O)c1cc(C(=O)OC)nn1-c1ccccc1 ZINC000069492611 396080409 /nfs/dbraw/zinc/08/04/09/396080409.db2.gz SZMTVJNNNVOULB-UHFFFAOYSA-N 0 0 317.301 0.562 50 0 DCAARN CCOc1ccnc(N2CCN(C(=O)[C@H]3CCOC3)CC2)n1 ZINC000069514060 396081419 /nfs/dbraw/zinc/08/14/19/396081419.db2.gz VTKASOUHPRSDLK-LBPRGKRZSA-N 0 0 306.366 0.560 50 0 DCAARN CCc1nnc2n1CCN([C@H](C)C(=O)Nc1cc(C)on1)C2 ZINC000069528309 396082026 /nfs/dbraw/zinc/08/20/26/396082026.db2.gz ABXYHTFAPANJEL-SNVBAGLBSA-N 0 0 304.354 0.980 50 0 DCAARN COC(=O)N1CCC[C@@H](NC(=O)NCc2nc(C3CC3)no2)C1 ZINC000069568173 396082558 /nfs/dbraw/zinc/08/25/58/396082558.db2.gz LZFLZMQKOOWFNR-SNVBAGLBSA-N 0 0 323.353 0.977 50 0 DCAARN CCNC(=O)NC(=O)COC(=O)CN(CC)c1ccccc1 ZINC000069615544 396084591 /nfs/dbraw/zinc/08/45/91/396084591.db2.gz YRWPAQLAEWJYJN-UHFFFAOYSA-N 0 0 307.350 0.902 50 0 DCAARN Cc1n[nH]cc1S(=O)(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000074354692 396164901 /nfs/dbraw/zinc/16/49/01/396164901.db2.gz LRQLSYDQQNXJRB-UHFFFAOYSA-N 0 0 318.362 0.777 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)[C@@H](N2CCN(c3ccccn3)CC2)C1 ZINC000075104340 396176025 /nfs/dbraw/zinc/17/60/25/396176025.db2.gz NUWLGYXSMBDISC-MELADBBJSA-N 0 0 305.378 0.516 50 0 DCAARN CN(C)[C@H](CNC(=O)NCCS(C)(=O)=O)c1ccco1 ZINC000076037903 396191841 /nfs/dbraw/zinc/19/18/41/396191841.db2.gz VJOARWXKKICBHQ-SNVBAGLBSA-N 0 0 303.384 0.226 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)c3ccn(C)c(=O)c3)CCO2)[nH]1 ZINC000076045183 396192702 /nfs/dbraw/zinc/19/27/02/396192702.db2.gz YHUIASCYVQYEPB-NSHDSACASA-N 0 0 303.322 0.026 50 0 DCAARN Cn1c2ccccc2n(CC(=O)N[C@@H]2CCC[C@H]2C(N)=O)c1=O ZINC000076042447 396192972 /nfs/dbraw/zinc/19/29/72/396192972.db2.gz SUQQTYQBXNKETP-GHMZBOCLSA-N 0 0 316.361 0.110 50 0 DCAARN Cc1nnc([C@H]2CN(C(=O)CCOCC(F)(F)F)CCO2)[nH]1 ZINC000076045113 396193006 /nfs/dbraw/zinc/19/30/06/396193006.db2.gz DDEVBMZNVNUALX-SECBINFHSA-N 0 0 322.287 0.982 50 0 DCAARN Cc1noc(COCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000076054087 396194892 /nfs/dbraw/zinc/19/48/92/396194892.db2.gz HRAIEBCSZLJICE-WCQYABFASA-N 0 0 324.381 0.074 50 0 DCAARN COc1ccc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)nn1 ZINC000076053631 396195186 /nfs/dbraw/zinc/19/51/86/396195186.db2.gz JPUUUNVJHZYOKN-AAEUAGOBSA-N 0 0 306.366 0.278 50 0 DCAARN CN(C(=O)CN1CCc2nn(C)c(=O)cc2C1)c1nccs1 ZINC000076064756 396195730 /nfs/dbraw/zinc/19/57/30/396195730.db2.gz ISTHRYKDSUEOTA-UHFFFAOYSA-N 0 0 319.390 0.258 50 0 DCAARN NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CC=CCC2)c1 ZINC000076308052 396201341 /nfs/dbraw/zinc/20/13/41/396201341.db2.gz QYCKBCHCAZALMU-SNVBAGLBSA-N 0 0 316.404 0.721 50 0 DCAARN Cc1nc(CCN2CCO[C@@H](CN(C)CC(N)=O)C2)cs1 ZINC000281881083 396246718 /nfs/dbraw/zinc/24/67/18/396246718.db2.gz AJCRKLBENPXXAH-ZDUSSCGKSA-N 0 0 312.439 0.112 50 0 DCAARN COc1ccc(-c2noc(CNS(C)(=O)=O)n2)c(OC)c1 ZINC000078773631 396253527 /nfs/dbraw/zinc/25/35/27/396253527.db2.gz WCOAXGOVUVRLMZ-UHFFFAOYSA-N 0 0 313.335 0.803 50 0 DCAARN CN(C)c1ccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000078788805 396254591 /nfs/dbraw/zinc/25/45/91/396254591.db2.gz RYRFODAAEWEMCI-HUUCEWRRSA-N 0 0 318.421 0.819 50 0 DCAARN CCCn1nnnc1CN1CCO[C@@H](CNc2cccnn2)C1 ZINC000078893814 396256747 /nfs/dbraw/zinc/25/67/47/396256747.db2.gz SRTVZPWRFXXRAM-LBPRGKRZSA-N 0 0 318.385 0.186 50 0 DCAARN CCCN1CCN(C(=O)c2ccc[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000077426335 396222407 /nfs/dbraw/zinc/22/24/07/396222407.db2.gz GOARLTNBBCTWOV-OLZOCXBDSA-N 0 0 311.407 0.348 50 0 DCAARN COc1ccccc1-n1nc(-c2ccco2)n(CC(N)=O)c1=O ZINC000077452669 396223088 /nfs/dbraw/zinc/22/30/88/396223088.db2.gz PUKSRNSRGOJEKU-UHFFFAOYSA-N 0 0 314.301 0.788 50 0 DCAARN COc1cc2c(nn1)CCN([C@H](C)C(=O)Nc1ncccn1)C2 ZINC000084098635 396318226 /nfs/dbraw/zinc/31/82/26/396318226.db2.gz MMBXJZAWQPVOLP-SNVBAGLBSA-N 0 0 314.349 0.661 50 0 DCAARN Cc1ccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@H](C)C(=O)N3C2)cc1 ZINC000014754846 292079018 /nfs/dbraw/zinc/07/90/18/292079018.db2.gz OUWTWUHGVNNDFK-WXHSDQCUSA-N 0 0 301.346 0.213 50 0 DCAARN Cc1nc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)nn1C ZINC000293661472 396624313 /nfs/dbraw/zinc/62/43/13/396624313.db2.gz JKQRGIXZLVUBQL-UHFFFAOYSA-N 0 0 308.342 0.173 50 0 DCAARN CNC(=O)c1noc(CNC(=O)N(C)[C@@H](C)c2cccnc2)n1 ZINC000584886454 396632501 /nfs/dbraw/zinc/63/25/01/396632501.db2.gz SMNQGORKXDFFNJ-VIFPVBQESA-N 0 0 318.337 0.727 50 0 DCAARN COc1ccc2ncn(C[C@@H]3CN(C)C(=O)CO3)c(=O)c2c1 ZINC000584891925 396634248 /nfs/dbraw/zinc/63/42/48/396634248.db2.gz RESQVHUKIFKGIF-NSHDSACASA-N 0 0 303.318 0.262 50 0 DCAARN CN(CCc1ccccn1)C(=O)NC[C@@H]1CN(C)C(=O)CO1 ZINC000584894219 396634621 /nfs/dbraw/zinc/63/46/21/396634621.db2.gz FJRNDLJCKDCXKJ-CYBMUJFWSA-N 0 0 306.366 0.123 50 0 DCAARN Cc1cccc(C[C@@H](C)NC(=O)CSc2nnnn2C)n1 ZINC000584902156 396636913 /nfs/dbraw/zinc/63/69/13/396636913.db2.gz SSJZVVAOFJKJLC-SNVBAGLBSA-N 0 0 306.395 0.753 50 0 DCAARN O=C(Cc1ccc(O)cc1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000585136674 396641556 /nfs/dbraw/zinc/64/15/56/396641556.db2.gz PECRJFSIUOVDGV-CQSZACIVSA-N 0 0 317.389 0.358 50 0 DCAARN CCc1ncnc(O[C@@H]2CCN(C(=O)c3c[nH]c(=O)[nH]3)C2)c1F ZINC000390826966 397301476 /nfs/dbraw/zinc/30/14/76/397301476.db2.gz DDUAPADLGGEOSE-MRVPVSSYSA-N 0 0 321.312 0.900 50 0 DCAARN CCOC(=O)[C@H]1CSCCN1CC(=O)NC(=O)NC(C)C ZINC000095948772 285944563 /nfs/dbraw/zinc/94/45/63/285944563.db2.gz ASGRJTGNHYBSJV-SNVBAGLBSA-N 0 0 317.411 0.201 50 0 DCAARN Cc1nc(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000194411484 158596370 /nfs/dbraw/zinc/59/63/70/158596370.db2.gz CGBFKCXHYBJEQJ-SNVBAGLBSA-N 0 0 317.436 0.187 50 0 DCAARN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)CCn1ccnn1 ZINC000328753864 159026569 /nfs/dbraw/zinc/02/65/69/159026569.db2.gz SCGVPFZWBIEDHL-LLVKDONJSA-N 0 0 304.354 0.934 50 0 DCAARN Cc1noc([C@@H]2CN(C(=O)[C@H](C)n3cncn3)CCN2C)n1 ZINC000328979326 159049070 /nfs/dbraw/zinc/04/90/70/159049070.db2.gz XIQZVZHZKASYNW-ONGXEEELSA-N 0 0 305.342 0.046 50 0 DCAARN O=C(c1ccon1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000329108761 159063335 /nfs/dbraw/zinc/06/33/35/159063335.db2.gz PQTZMOYPGNACSY-WDEREUQCSA-N 0 0 314.363 0.483 50 0 DCAARN CN(C[C@@H]1CCCN(C(=O)C2CC(=O)C2)C1)S(C)(=O)=O ZINC000329195645 159072789 /nfs/dbraw/zinc/07/27/89/159072789.db2.gz VLPXEAVGXIGDEA-JTQLQIEISA-N 0 0 302.396 0.096 50 0 DCAARN CC[C@@H]1CN(C(=O)[C@@H](CC(C)C)NS(C)(=O)=O)CCO1 ZINC000040512931 287150532 /nfs/dbraw/zinc/15/05/32/287150532.db2.gz XBVZUGOCFSLXMD-VXGBXAGGSA-N 0 0 306.428 0.588 50 0 DCAARN COCCN1C[C@@H](Cc2nc3c(cc2C(N)=O)CCC3)CC1=O ZINC000223100469 292544243 /nfs/dbraw/zinc/54/42/43/292544243.db2.gz KVZBUQKGLGHRHH-NSHDSACASA-N 0 0 317.389 0.707 50 0 DCAARN C[C@@H](C(=O)N1CCN(C)CC1)n1nnc2ccccc2c1=O ZINC000020547617 415153946 /nfs/dbraw/zinc/15/39/46/415153946.db2.gz WUSAQFUOBWZOAZ-NSHDSACASA-N 0 0 301.350 0.127 50 0 DCAARN CC(=O)c1c[nH]c(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1 ZINC000025058206 415157760 /nfs/dbraw/zinc/15/77/60/415157760.db2.gz HXBAHLOYUMJHSE-UHFFFAOYSA-N 0 0 313.379 0.371 50 0 DCAARN CN(C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)c1ccccc1 ZINC000025250366 415163554 /nfs/dbraw/zinc/16/35/54/415163554.db2.gz ZSQOYBBCWCTBPO-UHFFFAOYSA-N 0 0 310.313 0.898 50 0 DCAARN CC(=O)N1CCC[C@@H](C(=O)NCc2c(C)cc(C)[nH]c2=O)C1 ZINC000007118696 415138052 /nfs/dbraw/zinc/13/80/52/415138052.db2.gz WOESONHKAAOGQP-CYBMUJFWSA-N 0 0 305.378 0.866 50 0 DCAARN C[C@@H](OC(=O)CCc1nc(=O)c2ccccc2n1C)C(N)=O ZINC000007784688 415139681 /nfs/dbraw/zinc/13/96/81/415139681.db2.gz KLQPITAVVMPDSI-SECBINFHSA-N 0 0 303.318 0.283 50 0 DCAARN NC(=O)C1CCN(C(=O)COC(=O)Cc2cccc(F)c2)CC1 ZINC000007492474 415141390 /nfs/dbraw/zinc/14/13/90/415141390.db2.gz XRTJPZIYFQEAPL-UHFFFAOYSA-N 0 0 322.336 0.635 50 0 DCAARN CN(CC(=O)N1CCN(c2ncccn2)CC1)Cc1ccco1 ZINC000007523404 415142032 /nfs/dbraw/zinc/14/20/32/415142032.db2.gz VFINHTPUEGPGQQ-UHFFFAOYSA-N 0 0 315.377 0.850 50 0 DCAARN O=C(Cn1cnnn1)N1CCN(c2ccccc2Cl)CC1 ZINC000008077072 415145353 /nfs/dbraw/zinc/14/53/53/415145353.db2.gz WYRBHBDFBAYYBW-UHFFFAOYSA-N 0 0 306.757 0.675 50 0 DCAARN CN(C)C(=O)COc1ccc(NC(=O)C2=COCCO2)cc1 ZINC000025656388 415166163 /nfs/dbraw/zinc/16/61/63/415166163.db2.gz RKXRGOQOLRLNKA-UHFFFAOYSA-N 0 0 306.318 0.980 50 0 DCAARN Cc1cc(=O)oc(C)c1C(=O)OCC(=O)NC[C@H]1CCCO1 ZINC000026008763 415166461 /nfs/dbraw/zinc/16/64/61/415166461.db2.gz LIFVZXQTBNEFIV-LLVKDONJSA-N 0 0 309.318 0.709 50 0 DCAARN CCCN(CC(=O)NC(N)=O)C[C@H]1COc2ccccc2O1 ZINC000026663546 415167472 /nfs/dbraw/zinc/16/74/72/415167472.db2.gz CQYXHWDBGYUNEJ-NSHDSACASA-N 0 0 307.350 0.733 50 0 DCAARN CCS(=O)(=O)N1CCC(NC(=O)c2cccc(C)n2)CC1 ZINC000026287571 415168935 /nfs/dbraw/zinc/16/89/35/415168935.db2.gz MLIWHTPWJBDOFN-UHFFFAOYSA-N 0 0 311.407 0.934 50 0 DCAARN COc1ccc(OC)c(CNC(=O)C2=NN(C)C(=O)CC2)c1 ZINC000026398073 415170820 /nfs/dbraw/zinc/17/08/20/415170820.db2.gz BIKLXHNCNINSBT-UHFFFAOYSA-N 0 0 305.334 0.928 50 0 DCAARN CCOC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O ZINC000027738133 415173854 /nfs/dbraw/zinc/17/38/54/415173854.db2.gz ZNBAZFBHBAMFDZ-UHFFFAOYSA-N 0 0 314.363 0.196 50 0 DCAARN CNC(=O)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000038437517 415195048 /nfs/dbraw/zinc/19/50/48/415195048.db2.gz AJPUWTQGTBEBQO-UHFFFAOYSA-N 0 0 310.785 0.918 50 0 DCAARN CN1CC[C@H](C(=O)N2CCN(Cc3ccco3)CC2)CC1=O ZINC000044337895 415219379 /nfs/dbraw/zinc/21/93/79/415219379.db2.gz CAZZUHRHDLDGAH-ZDUSSCGKSA-N 0 0 305.378 0.792 50 0 DCAARN O=C(Cc1cnn(-c2ccccc2)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000044896284 415232590 /nfs/dbraw/zinc/23/25/90/415232590.db2.gz GUNPYVQKHDITCV-CYBMUJFWSA-N 0 0 319.386 0.718 50 0 DCAARN Cc1cc(NC(=O)CCS(=O)(=O)C[C@H]2CCCO2)no1 ZINC000044909273 415232596 /nfs/dbraw/zinc/23/25/96/415232596.db2.gz KMAUECAWEKPJSA-SNVBAGLBSA-N 0 0 302.352 0.905 50 0 DCAARN Cc1cc(C)n2ncc(C(=O)NC[C@H]3CCS(=O)(=O)C3)c2n1 ZINC000044908739 415232800 /nfs/dbraw/zinc/23/28/00/415232800.db2.gz RNFSICYGNIVDII-LLVKDONJSA-N 0 0 322.390 0.511 50 0 DCAARN Cc1c(C(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cnn1C ZINC000044911380 415232831 /nfs/dbraw/zinc/23/28/31/415232831.db2.gz BQAPPMPZAQYJIW-DZGCQCFKSA-N 0 0 322.409 0.196 50 0 DCAARN COc1ccccc1OCCNS(=O)(=O)c1cnn(C)c1 ZINC000044937365 415233813 /nfs/dbraw/zinc/23/38/13/415233813.db2.gz NGLVLCNHVKZBPD-UHFFFAOYSA-N 0 0 311.363 0.786 50 0 DCAARN C[C@@H](C(=O)NCc1cnn(-c2ccccc2)c1)S(C)(=O)=O ZINC000044936418 415234147 /nfs/dbraw/zinc/23/41/47/415234147.db2.gz SXYUZPCDMSZLNA-NSHDSACASA-N 0 0 307.375 0.922 50 0 DCAARN C[C@@H](C(=O)NCCc1ccc(-n2cccn2)cc1)S(C)(=O)=O ZINC000044936754 415236559 /nfs/dbraw/zinc/23/65/59/415236559.db2.gz UBAXDQCYOCBOFI-LBPRGKRZSA-N 0 0 321.402 0.964 50 0 DCAARN CC(C)N(CCCNC(=O)N1CCOC[C@@H]1C)S(C)(=O)=O ZINC000044971459 415240748 /nfs/dbraw/zinc/24/07/48/415240748.db2.gz WLHKJFCPKXZIRL-LBPRGKRZSA-N 0 0 321.443 0.477 50 0 DCAARN C[C@H](C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1)S(C)(=O)=O ZINC000044966888 415240839 /nfs/dbraw/zinc/24/08/39/415240839.db2.gz GZEXMEJLDINMOS-SECBINFHSA-N 0 0 323.374 0.315 50 0 DCAARN CC(C)(C)c1nnnn1CN1CCN(c2ncccn2)CC1 ZINC000045801968 415252518 /nfs/dbraw/zinc/25/25/18/415252518.db2.gz AANVFRLHPWTJDJ-UHFFFAOYSA-N 0 0 302.386 0.540 50 0 DCAARN CCCCc1noc(C2CCN(C(=O)Cn3cnnn3)CC2)n1 ZINC000046087472 415256767 /nfs/dbraw/zinc/25/67/67/415256767.db2.gz GLBOWDQBJVFTOL-UHFFFAOYSA-N 0 0 319.369 0.805 50 0 DCAARN C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCCO1 ZINC000046219884 415259532 /nfs/dbraw/zinc/25/95/32/415259532.db2.gz TVFTZUVZMWGIMY-TUAOUCFPSA-N 0 0 304.412 0.342 50 0 DCAARN CC(C)CNC(=O)[C@@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC000046974162 415263476 /nfs/dbraw/zinc/26/34/76/415263476.db2.gz QZJHSWIKRCTDOG-CYBMUJFWSA-N 0 0 307.398 0.679 50 0 DCAARN C[C@@H]1CN(C(=O)CS(=O)(=O)c2ccc(F)cc2F)CCO1 ZINC000047658235 415274724 /nfs/dbraw/zinc/27/47/24/415274724.db2.gz ZPGZBATXFMVQBI-SECBINFHSA-N 0 0 319.329 0.986 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000044709526 415226238 /nfs/dbraw/zinc/22/62/38/415226238.db2.gz SGOLMBGXUZZXPI-NWDGAFQWSA-N 0 0 321.308 0.324 50 0 DCAARN O=C(CN1CCN(Cc2cn3ccccc3n2)CC1)NC1CC1 ZINC000044871417 415227647 /nfs/dbraw/zinc/22/76/47/415227647.db2.gz VTLGQOYTQGWJBC-UHFFFAOYSA-N 0 0 313.405 0.731 50 0 DCAARN COc1cccc(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1 ZINC000044873896 415228926 /nfs/dbraw/zinc/22/89/26/415228926.db2.gz RXTDMKPYIDJWSO-ZDUSSCGKSA-N 0 0 312.391 0.735 50 0 DCAARN CC(=O)N1CCC(NC(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000044891414 415229410 /nfs/dbraw/zinc/22/94/10/415229410.db2.gz UYCOXHDHQSUNOB-UHFFFAOYSA-N 0 0 324.402 0.831 50 0 DCAARN CN(C(=O)c1ccc(-n2cncn2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000044889006 415229675 /nfs/dbraw/zinc/22/96/75/415229675.db2.gz JSKZPCLMOFJWKG-ZDUSSCGKSA-N 0 0 320.374 0.526 50 0 DCAARN CS(=O)(=O)NCCC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000044916132 415230518 /nfs/dbraw/zinc/23/05/18/415230518.db2.gz MPADYOPNJRSDFM-MRVPVSSYSA-N 0 0 302.318 0.727 50 0 DCAARN CCOC(=O)CNC(=O)Nc1nnc2cccc(OCC)n21 ZINC000065314655 415356103 /nfs/dbraw/zinc/35/61/03/415356103.db2.gz RZCGCJIFLKZJOS-UHFFFAOYSA-N 0 0 307.310 0.813 50 0 DCAARN Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N2CCOCC2)on1 ZINC000048236350 415286476 /nfs/dbraw/zinc/28/64/76/415286476.db2.gz YHKAYVQSSYFKDX-SNVBAGLBSA-N 0 0 302.352 0.145 50 0 DCAARN CC(=O)N(C)C1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000058061092 415339221 /nfs/dbraw/zinc/33/92/21/415339221.db2.gz XAFGTEYZSMYNQK-GFCCVEGCSA-N 0 0 317.455 0.906 50 0 DCAARN COc1ccc(OC[C@@H](O)CN2CCS(=O)(=O)CC2)cc1 ZINC000063598664 415349369 /nfs/dbraw/zinc/34/93/69/415349369.db2.gz GUWJIXOTLBOQJX-LBPRGKRZSA-N 0 0 315.391 0.165 50 0 DCAARN O=C(COC[C@H]1CCCCO1)N1CCc2c(=O)[nH]cnc2C1 ZINC000072149630 415410897 /nfs/dbraw/zinc/41/08/97/415410897.db2.gz FMWVDJHXIHSBMV-LLVKDONJSA-N 0 0 307.350 0.240 50 0 DCAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)CNS(C)(=O)=O ZINC000072435980 415413751 /nfs/dbraw/zinc/41/37/51/415413751.db2.gz KJWDMGHELYLIPM-UHFFFAOYSA-N 0 0 324.362 0.244 50 0 DCAARN COc1ccccc1/C(C)=C/C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000066643796 415366031 /nfs/dbraw/zinc/36/60/31/415366031.db2.gz SNWBVBZLTAVLEU-MARXPDLDSA-N 0 0 304.346 0.811 50 0 DCAARN COc1cccc(CNN(C)C)c1OCCN1CCOCC1 ZINC000067601812 415379222 /nfs/dbraw/zinc/37/92/22/415379222.db2.gz YTKVOXXBJVRKAQ-UHFFFAOYSA-N 0 0 309.410 0.972 50 0 DCAARN Cc1ccccc1CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000084243926 415493764 /nfs/dbraw/zinc/49/37/64/415493764.db2.gz WVOCCNFSZVPIKU-HOTGVXAUSA-N 0 0 324.446 0.271 50 0 DCAARN COCCCNC(=O)[C@H](C)N1CCN(c2ncccc2F)CC1 ZINC000084486043 415495657 /nfs/dbraw/zinc/49/56/57/415495657.db2.gz YDAIEURYGFQGEH-ZDUSSCGKSA-N 0 0 324.400 0.884 50 0 DCAARN CC[C@@H](C)NC(=O)CN1CCN(c2cncc(OC)n2)CC1 ZINC000075139873 415435919 /nfs/dbraw/zinc/43/59/19/415435919.db2.gz BYHUPJNWQIJBEF-GFCCVEGCSA-N 0 0 307.398 0.522 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C2CC2)cc1C ZINC000075147512 415439255 /nfs/dbraw/zinc/43/92/55/415439255.db2.gz BUBXDNUIPMFFAV-GFCCVEGCSA-N 0 0 312.391 0.936 50 0 DCAARN Cc1cc(NC(=O)C(=O)NC[C@](O)(c2ccco2)C2CC2)no1 ZINC000075154975 415439688 /nfs/dbraw/zinc/43/96/88/415439688.db2.gz YGWBMLVYULOBBI-OAHLLOKOSA-N 0 0 319.317 0.929 50 0 DCAARN CC(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)COc1ccccc1 ZINC000075145633 415439718 /nfs/dbraw/zinc/43/97/18/415439718.db2.gz WUDOCHJACHQKPS-TZMCWYRMSA-N 0 0 321.329 0.159 50 0 DCAARN O=C([C@@H]1CSCCC(=O)N1)N1CCN(c2ccccn2)CC1 ZINC000075171374 415441534 /nfs/dbraw/zinc/44/15/34/415441534.db2.gz BFVZYHYRMQEHQA-LBPRGKRZSA-N 0 0 320.418 0.352 50 0 DCAARN NC(=O)[C@H]1CCCN(C(=O)Cn2cc(Br)cn2)C1 ZINC000075572746 415445902 /nfs/dbraw/zinc/44/59/02/415445902.db2.gz LHPFFSKACRHCBD-QMMMGPOBSA-N 0 0 315.171 0.370 50 0 DCAARN COc1ccc([C@H]2C[C@@H]2C(=O)N2CCN(CCO)CC2)cc1 ZINC000075604803 415453254 /nfs/dbraw/zinc/45/32/54/415453254.db2.gz OOAJMLUNEUCJPO-CVEARBPZSA-N 0 0 304.390 0.935 50 0 DCAARN Cc1cnc(N2CCC3(C[NH2+][C@H](C(=O)[O-])C3)CC2)nc1N(C)C ZINC000091468992 415534967 /nfs/dbraw/zinc/53/49/67/415534967.db2.gz KZXGYYUDZYCXEK-LBPRGKRZSA-N 0 0 319.409 0.884 50 0 DCAARN COc1ccccc1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000095349400 415547194 /nfs/dbraw/zinc/54/71/94/415547194.db2.gz CNVBEVOGLIJVKT-GFCCVEGCSA-N 0 0 309.366 0.510 50 0 DCAARN CN(C)C(=O)N1CCC[C@H](c2nnc(Cn3ccnc3)n2C)C1 ZINC000095353396 415553156 /nfs/dbraw/zinc/55/31/56/415553156.db2.gz DCUUWWYJBZNDOI-LBPRGKRZSA-N 0 0 317.397 0.921 50 0 DCAARN Cc1nc(N(C)C)ncc1C(=O)N(C)CCc1cnn(C)c1 ZINC000095363686 415553935 /nfs/dbraw/zinc/55/39/35/415553935.db2.gz UVRCFCFBQFAQOY-UHFFFAOYSA-N 0 0 302.382 0.899 50 0 DCAARN CCc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)o1 ZINC000095372667 415554009 /nfs/dbraw/zinc/55/40/09/415554009.db2.gz VERWPZVIYQIDIB-UHFFFAOYSA-N 0 0 302.338 0.453 50 0 DCAARN Cc1cccc2c1N(C(=O)Cn1cc(S(N)(=O)=O)cn1)CC2 ZINC000281623855 415557475 /nfs/dbraw/zinc/55/74/75/415557475.db2.gz QAORVXFHXUNQIY-UHFFFAOYSA-N 0 0 320.374 0.428 50 0 DCAARN NS(=O)(=O)c1cccnc1N1CCc2c(ncn2C2CC2)C1 ZINC000095396268 415558938 /nfs/dbraw/zinc/55/89/38/415558938.db2.gz VKTWTVNPOLFETN-UHFFFAOYSA-N 0 0 319.390 0.823 50 0 DCAARN Cc1nc(C)n(CCNC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)n1 ZINC000095387285 415559348 /nfs/dbraw/zinc/55/93/48/415559348.db2.gz GMKKNJKNNIXRCG-CYBMUJFWSA-N 0 0 322.413 0.405 50 0 DCAARN COCCN(Cc1ccccn1)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000095954466 415562906 /nfs/dbraw/zinc/56/29/06/415562906.db2.gz CBIJJRVURWJWJU-ZDUSSCGKSA-N 0 0 305.378 0.925 50 0 DCAARN C[C@@H](NC(=O)COCC(F)(F)F)C(=O)NCc1ccco1 ZINC000095956327 415564012 /nfs/dbraw/zinc/56/40/12/415564012.db2.gz WKPAZXZVONUABH-MRVPVSSYSA-N 0 0 308.256 0.979 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)S(=O)(=O)[C@H]2CCCOC2)on1 ZINC000096001612 415566402 /nfs/dbraw/zinc/56/64/02/415566402.db2.gz CTZGAWNTDUOZNW-UWVGGRQHSA-N 0 0 302.352 0.904 50 0 DCAARN COCCNS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000096005118 415566891 /nfs/dbraw/zinc/56/68/91/415566891.db2.gz DFXDGKWCRZRHHH-CYBMUJFWSA-N 0 0 318.439 0.733 50 0 DCAARN COc1ccc(CN2CCC[C@@H]2CS(N)(=O)=O)cc1OC ZINC000095982902 415569282 /nfs/dbraw/zinc/56/92/82/415569282.db2.gz QMYPUDUANDNCEI-GFCCVEGCSA-N 0 0 314.407 0.957 50 0 DCAARN COc1cccc(S(=O)(=O)N2CC[C@H](S(C)(=O)=O)C2)c1 ZINC000096025295 415573923 /nfs/dbraw/zinc/57/39/23/415573923.db2.gz MGIYVQPMIKTABK-LBPRGKRZSA-N 0 0 319.404 0.503 50 0 DCAARN C[C@@H](O)[C@H]1NC(=O)N(c2ccc3c(c2)NC(=O)[C@H](C)O3)C1=O ZINC000333300226 415603459 /nfs/dbraw/zinc/60/34/59/415603459.db2.gz BSKHHZFGVRIINQ-PTZCXBDSSA-N 0 0 305.290 0.212 50 0 DCAARN CCS(=O)(=O)NCCNC(=O)c1ccccc1OC1CC1 ZINC000286987270 415638746 /nfs/dbraw/zinc/63/87/46/415638746.db2.gz CIOJIIVDUGFKAT-UHFFFAOYSA-N 0 0 312.391 0.897 50 0 DCAARN COC[C@]1(C)NC(=O)N(CC(=O)N2[C@H](C)CCC[C@@H]2C)C1=O ZINC000106764483 415644681 /nfs/dbraw/zinc/64/46/81/415644681.db2.gz ZWQZYZBLJVRZLX-RWSFTLGLSA-N 0 0 311.382 0.733 50 0 DCAARN CC(C)(C)c1nc(N2CCC[C@H](NS(C)(=O)=O)C2)no1 ZINC000097103066 415580505 /nfs/dbraw/zinc/58/05/05/415580505.db2.gz FLQDNEADXABELN-VIFPVBQESA-N 0 0 302.400 0.885 50 0 DCAARN CNC(=O)[C@@H]1CN(Cc2ccc(N3CCCC3)nc2)CCO1 ZINC000097081618 415580841 /nfs/dbraw/zinc/58/08/41/415580841.db2.gz WZCLRHWWEJCPNO-AWEZNQCLSA-N 0 0 304.394 0.629 50 0 DCAARN O=C([O-])C[N@H+]1CCN(Cc2ccc3c(c2)CCO3)C[C@@H](O)C1 ZINC000097088620 415582086 /nfs/dbraw/zinc/58/20/86/415582086.db2.gz XXFLGMLNZABPMD-CQSZACIVSA-N 0 0 306.362 0.185 50 0 DCAARN CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000097107265 415585799 /nfs/dbraw/zinc/58/57/99/415585799.db2.gz PEGCCPMKIGEPGM-NWDGAFQWSA-N 0 0 300.355 0.689 50 0 DCAARN O=C(Cn1cccnc1=O)N(C/C=C/c1ccccc1)CCO ZINC000097785461 415590140 /nfs/dbraw/zinc/59/01/40/415590140.db2.gz GQYQEDWYTICQEM-XBXARRHUSA-N 0 0 313.357 0.778 50 0 DCAARN C[C@@H]1Cc2ccccc2N1C(=O)Cn1cnnc1[S@](C)=O ZINC000112226650 415709213 /nfs/dbraw/zinc/70/92/13/415709213.db2.gz NERGPRYVRWYBIH-LADRHHBVSA-N 0 0 304.375 0.993 50 0 DCAARN C[C@H]1Cc2ccccc2N1C(=O)Cn1cnnc1[S@](C)=O ZINC000112226651 415709730 /nfs/dbraw/zinc/70/97/30/415709730.db2.gz NERGPRYVRWYBIH-CHNSCGDPSA-N 0 0 304.375 0.993 50 0 DCAARN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1ccc(C(N)=O)nc1 ZINC000356747248 415982054 /nfs/dbraw/zinc/98/20/54/415982054.db2.gz SUXPHMNRZWVMPM-BXUZGUMPSA-N 0 0 318.377 0.116 50 0 DCAARN COCCc1noc(CNC(=O)Cn2nc3ccccc3n2)n1 ZINC000299762845 416065489 /nfs/dbraw/zinc/06/54/89/416065489.db2.gz BWODMJZHWALOPL-UHFFFAOYSA-N 0 0 316.321 0.320 50 0 DCAARN O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(Oc2ccncc2)CC1 ZINC000299779489 416067170 /nfs/dbraw/zinc/06/71/70/416067170.db2.gz RYUWLCJNBUCXQV-GFCCVEGCSA-N 0 0 324.402 0.886 50 0 DCAARN O=C(NC1CCN(c2cnccn2)CC1)c1c[nH]c(=O)[nH]c1=O ZINC000299791004 416069132 /nfs/dbraw/zinc/06/91/32/416069132.db2.gz DCKJQWWGCZQAIH-UHFFFAOYSA-N 0 0 316.321 0.077 50 0 DCAARN CC(C)c1nnc([C@H](C)NC(=O)c2c[nH]nc2-n2cnnn2)o1 ZINC000299791865 416069623 /nfs/dbraw/zinc/06/96/23/416069623.db2.gz HBZWGIFNTJRHNI-ZETCQYMHSA-N 0 0 317.313 0.383 50 0 DCAARN C[C@@H]1CN(CC(=O)NCCCn2ccccc2=O)C[C@H](C)O1 ZINC000299801917 416071152 /nfs/dbraw/zinc/07/11/52/416071152.db2.gz ZDDIXVKSHCIVOG-OKILXGFUSA-N 0 0 307.394 0.464 50 0 DCAARN C[C@@H]1CN(CC(=O)N2CCN(c3cccnc3)CC2)C[C@H](C)O1 ZINC000299801606 416071404 /nfs/dbraw/zinc/07/14/04/416071404.db2.gz ZVMFRBRPOLNXOS-GASCZTMLSA-N 0 0 318.421 0.839 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCC(=O)NC1(C)C ZINC000338431166 416097200 /nfs/dbraw/zinc/09/72/00/416097200.db2.gz SJJCHBDUXMQWQL-SNVBAGLBSA-N 0 0 314.411 0.372 50 0 DCAARN COCCn1nc2c(cc1=O)CN(C(=O)c1ccco1)CC2 ZINC000263616161 416338539 /nfs/dbraw/zinc/33/85/39/416338539.db2.gz HLKHJXKIOWHJQO-UHFFFAOYSA-N 0 0 303.318 0.681 50 0 DCAARN CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCc2c1cccc2Cl ZINC000195544367 416326840 /nfs/dbraw/zinc/32/68/40/416326840.db2.gz XHEYVUZKUIGRQQ-NSHDSACASA-N 0 0 316.810 0.991 50 0 DCAARN Cc1c(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)cnn1C ZINC000215097467 416326963 /nfs/dbraw/zinc/32/69/63/416326963.db2.gz MWYYDJQQKZMYFU-HNNXBMFYSA-N 0 0 312.373 0.912 50 0 DCAARN O=C(CCn1ccc(=O)[nH]c1=O)NCCCc1ccncc1 ZINC000215132455 416327156 /nfs/dbraw/zinc/32/71/56/416327156.db2.gz QDIIQOCSWFHQFZ-UHFFFAOYSA-N 0 0 302.334 0.071 50 0 DCAARN COc1ccc2[nH]c(CCNC(=O)c3cc(N)n[nH]3)nc2c1 ZINC000215445653 416327224 /nfs/dbraw/zinc/32/72/24/416327224.db2.gz XKPLMPPPQHVMGX-UHFFFAOYSA-N 0 0 300.322 0.849 50 0 DCAARN Cc1cc(C)nc(CCNC(=O)CN2C(=O)NC(C)(C)C2=O)n1 ZINC000216219560 416327532 /nfs/dbraw/zinc/32/75/32/416327532.db2.gz HPUULEYJTDOFJP-UHFFFAOYSA-N 0 0 319.365 0.083 50 0 DCAARN COc1cncc(O[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)n1 ZINC000225501653 416327717 /nfs/dbraw/zinc/32/77/17/416327717.db2.gz UKZTULITYTUPNZ-SNVBAGLBSA-N 0 0 313.379 0.821 50 0 DCAARN Cc1cnc(C)c(N2CCC(N3CCS(=O)(=O)CC3)CC2)n1 ZINC000225602661 416327722 /nfs/dbraw/zinc/32/77/22/416327722.db2.gz IBOMSBUFANYXHI-UHFFFAOYSA-N 0 0 324.450 0.793 50 0 DCAARN C[C@@H]1O[C@H](Nc2ccc(OC(F)(F)F)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000239309881 416330094 /nfs/dbraw/zinc/33/00/94/416330094.db2.gz HWRAWYGCOWASEC-CAXGQTPXSA-N 0 0 323.267 0.825 50 0 DCAARN CC(C)Cn1cnc(S(=O)(=O)N2CC[C@H](n3cncn3)C2)c1 ZINC000240333301 416330220 /nfs/dbraw/zinc/33/02/20/416330220.db2.gz FCVUXEGZNFQAHX-LBPRGKRZSA-N 0 0 324.410 0.766 50 0 DCAARN C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000242167650 416330417 /nfs/dbraw/zinc/33/04/17/416330417.db2.gz WYHIIXVIQALZBS-IRUJWGPZSA-N 0 0 315.329 0.314 50 0 DCAARN CNC(=O)c1noc(CN2CCC(c3n[nH]c(C)n3)CC2)n1 ZINC000244774240 416331079 /nfs/dbraw/zinc/33/10/79/416331079.db2.gz PQHGRKJDYDHTLF-UHFFFAOYSA-N 0 0 305.342 0.235 50 0 DCAARN CC(C)c1noc([C@@H]2CCCN2C(=O)NCc2nc(N)n[nH]2)n1 ZINC000534642969 416507131 /nfs/dbraw/zinc/50/71/31/416507131.db2.gz YONZDIIQGTVDRT-QMMMGPOBSA-N 0 0 320.357 0.940 50 0 DCAARN Nc1n[nH]c(CCNC(=O)[C@H]2CCCN(c3ccccn3)C2)n1 ZINC000534654349 416507423 /nfs/dbraw/zinc/50/74/23/416507423.db2.gz DRGHIIKGNGDGOQ-NSHDSACASA-N 0 0 315.381 0.357 50 0 DCAARN CN1CCCC[C@@H](C(=O)NC2(CO)CCSCC2)C1=O ZINC000585122067 416517576 /nfs/dbraw/zinc/51/75/76/416517576.db2.gz MCFLSQOJHCFYHK-NSHDSACASA-N 0 0 300.424 0.619 50 0 DCAARN CN1CC[C@](Cc2ccccc2)(C(=O)NCCCCO)C1=O ZINC000585121566 416518138 /nfs/dbraw/zinc/51/81/38/416518138.db2.gz SIJHKVFIBQJLSE-KRWDZBQOSA-N 0 0 304.390 0.966 50 0 DCAARN CC1(C)C[C@@H](S(=O)(=O)NCC[C@]2(O)CCCOC2)CO1 ZINC000585123414 416519012 /nfs/dbraw/zinc/51/90/12/416519012.db2.gz PSYYSOLLUAIHFO-DGCLKSJQSA-N 0 0 307.412 0.405 50 0 DCAARN CN(CCC(C)(C)O)c1cc([C@@H]2CCOC2)nc(NCCO)n1 ZINC000426495588 416771759 /nfs/dbraw/zinc/77/17/59/416771759.db2.gz IZVBNFHGNDZJPN-GFCCVEGCSA-N 0 0 324.425 0.982 50 0 DCAARN CSCCCNc1cc([C@@H]2CCOC2)nc(N2CC(O)C2)n1 ZINC000426552409 416775743 /nfs/dbraw/zinc/77/57/43/416775743.db2.gz XNDXWERZVINGDH-LLVKDONJSA-N 0 0 324.450 1.326 50 0 DCAARN COC[C@@H](C)n1ccc(NC(=O)N2CCC[C@H](C(=O)OC)C2)n1 ZINC000390835361 417100443 /nfs/dbraw/zinc/10/04/43/417100443.db2.gz LVKXSRBRJIOBGR-NEPJUHHUSA-N 0 0 324.381 1.507 50 0 DCAARN Cc1cn2nc(N[C@H]3CCN(C(=O)C4CC(=O)C4)C3)ccc2n1 ZINC000408514224 417165779 /nfs/dbraw/zinc/16/57/79/417165779.db2.gz TXEVWJARNIPSKO-LBPRGKRZSA-N 0 0 313.361 1.030 50 0 DCAARN COC(=O)c1cncnc1NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000408516242 417167399 /nfs/dbraw/zinc/16/73/99/417167399.db2.gz VHUBLBFSLBFCAF-VIFPVBQESA-N 0 0 318.299 1.559 50 0 DCAARN O=S(=O)(NCCCc1nnc2ccccn21)N1CCCCC1 ZINC000433665218 417283497 /nfs/dbraw/zinc/28/34/97/417283497.db2.gz UMVCXYVYZZZIEJ-UHFFFAOYSA-N 0 0 323.422 0.982 50 0 DCAARN CN1CCC[C@H](NC(=O)NCc2nnc(C3CC3)s2)C1=O ZINC000528020533 417294453 /nfs/dbraw/zinc/29/44/53/417294453.db2.gz WPKLFDISQBZAJE-VIFPVBQESA-N 0 0 309.395 0.836 50 0 DCAARN O=C(Cn1ncccc1=O)NCc1nccnc1-c1ccco1 ZINC000575414248 417535397 /nfs/dbraw/zinc/53/53/97/417535397.db2.gz JXKXMSIMQBCWAE-UHFFFAOYSA-N 0 0 311.301 0.610 50 0 DCAARN O=C(NC1CCOCC1)NC1CCN(c2cnsn2)CC1 ZINC000575607094 417540333 /nfs/dbraw/zinc/54/03/33/417540333.db2.gz KYPUXMXHEYSMJS-UHFFFAOYSA-N 0 0 311.411 0.985 50 0 DCAARN COc1nc(CNC(=O)c2cc(C3CC3)on2)nc(OC)n1 ZINC000575604194 417540400 /nfs/dbraw/zinc/54/04/00/417540400.db2.gz UHWNIYMANUIMAZ-UHFFFAOYSA-N 0 0 305.294 0.684 50 0 DCAARN O=C(CN1C(=O)CCC1=O)NCCn1cc(-c2ccoc2)cn1 ZINC000575615376 417541102 /nfs/dbraw/zinc/54/11/02/417541102.db2.gz OHFZGMSGXPDFFP-UHFFFAOYSA-N 0 0 316.317 0.408 50 0 DCAARN CN1c2cc(F)c(NS(C)(=O)=O)cc2N(C)S1(=O)=O ZINC000575611613 417541133 /nfs/dbraw/zinc/54/11/33/417541133.db2.gz GWYNWTJNHUQYCD-UHFFFAOYSA-N 0 0 309.344 0.328 50 0 DCAARN NC(=O)C[C@H]1COCCN1c1cnc2cc(F)c(F)cc2n1 ZINC000649564946 418260897 /nfs/dbraw/zinc/26/08/97/418260897.db2.gz JQLMFZATJZGSGZ-QMMMGPOBSA-N 0 0 308.288 0.989 50 0 DCAARN O=C(CN1CCCN(C(=O)[C@H]2CCOC2)CC1)N1CCCC1 ZINC000363000657 262093320 /nfs/dbraw/zinc/09/33/20/262093320.db2.gz ORVIWCPHVMNOLK-AWEZNQCLSA-N 0 0 309.410 0.180 50 0 DCAARN CC[C@H](COC)NC(=O)/C=C\c1ccc(S(N)(=O)=O)cc1 ZINC000493657126 272202167 /nfs/dbraw/zinc/20/21/67/272202167.db2.gz QPFOCJNUMVQXJZ-OJIASSBASA-N 0 0 312.391 0.888 50 0 DCAARN CCC(CC)[C@@H](CNC(=O)C1=NNC(=O)CC1)N1CCOCC1 ZINC000065609414 275957785 /nfs/dbraw/zinc/95/77/85/275957785.db2.gz ZWZNSTXWSGBTGL-CQSZACIVSA-N 0 0 324.425 0.506 50 0 DCAARN COc1ccccc1N1C[C@H](NC(=O)c2cn[nH]c2)CC1=O ZINC000215838061 277470004 /nfs/dbraw/zinc/47/00/04/277470004.db2.gz YVEHVKIWCYROGB-LLVKDONJSA-N 0 0 300.318 0.954 50 0 DCAARN CC1(C)CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@]1(C)O ZINC000091381857 278322811 /nfs/dbraw/zinc/32/28/11/278322811.db2.gz CIQBENLLPLAWNT-INIZCTEOSA-N 0 0 306.362 0.784 50 0 DCAARN Cc1ccc(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cn1 ZINC000042394260 278790856 /nfs/dbraw/zinc/79/08/56/278790856.db2.gz SNHPIGZEFRWENE-CVEARBPZSA-N 0 0 319.405 0.857 50 0 DCAARN CCCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C ZINC000000040132 278991741 /nfs/dbraw/zinc/99/17/41/278991741.db2.gz BIVUUBUKKACEBX-UHFFFAOYSA-N 0 0 301.144 0.606 50 0 DCAARN Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1Cc1ccco1 ZINC000013540310 279004287 /nfs/dbraw/zinc/00/42/87/279004287.db2.gz BKBWKGWGTOAMAA-UHFFFAOYSA-N 0 0 313.317 0.636 50 0 DCAARN CCNC(=O)[C@H](C)NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000018704094 279492908 /nfs/dbraw/zinc/49/29/08/279492908.db2.gz QOMRDOZGBRMDLO-SRVKXCTJSA-N 0 0 323.393 0.193 50 0 DCAARN CC(C)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000095951618 279580657 /nfs/dbraw/zinc/58/06/57/279580657.db2.gz DTPQITUNURTYBF-NEPJUHHUSA-N 0 0 304.412 0.773 50 0 DCAARN CC(C)[C@H](C(=O)N1CCn2nccc21)N1CCCS1(=O)=O ZINC000375544193 280162027 /nfs/dbraw/zinc/16/20/27/280162027.db2.gz VAVGSZDBZPRCME-GFCCVEGCSA-N 0 0 312.395 0.290 50 0 DCAARN O=C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CCN1 ZINC000054369714 280255797 /nfs/dbraw/zinc/25/57/97/280255797.db2.gz YEOWBXKYNRELHW-UHFFFAOYSA-N 0 0 300.244 0.469 50 0 DCAARN CC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccccc3)CCN2C1=O ZINC000014540293 280567861 /nfs/dbraw/zinc/56/78/61/280567861.db2.gz JRSGOKPXRZVNIY-QWHCGFSZSA-N 0 0 301.346 0.248 50 0 DCAARN CC1(C)C[C@@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1 ZINC000240540918 281326530 /nfs/dbraw/zinc/32/65/30/281326530.db2.gz GQHBUUUWDXBCOG-IJLUTSLNSA-N 0 0 300.424 0.410 50 0 DCAARN CN(C)C(=O)[C@H]1CN(Cc2ccon2)CCN1Cc1ccon1 ZINC000089310389 281998431 /nfs/dbraw/zinc/99/84/31/281998431.db2.gz ZXYBYCNLLQJDOO-CQSZACIVSA-N 0 0 319.365 0.437 50 0 DCAARN Cc1nc2c(c(=O)n1C)CCN(c1ncnc3nc[nH]c31)CC2 ZINC000067559741 282008036 /nfs/dbraw/zinc/00/80/36/282008036.db2.gz NTIIQYXIMDHEHU-UHFFFAOYSA-N 0 0 311.349 0.360 50 0 DCAARN CN(C(=O)c1ccc(C(N)=O)cc1)C(C)(C)CN1CCOCC1 ZINC000408520873 288920744 /nfs/dbraw/zinc/92/07/44/288920744.db2.gz SQJLRGCRDUKDSK-UHFFFAOYSA-N 0 0 319.405 0.968 50 0 DCAARN COc1ccc(C(=O)N2CC[C@]3(CC(=O)NC3=O)C2)c(F)c1F ZINC000077377998 295091014 /nfs/dbraw/zinc/09/10/14/295091014.db2.gz 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/nfs/dbraw/zinc/61/32/87/303613287.db2.gz WOBALTFRZDIWLE-UHFFFAOYSA-N 0 0 304.394 0.785 50 0 DCAARN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000332716541 332857327 /nfs/dbraw/zinc/85/73/27/332857327.db2.gz GVEISKTYMOIPIR-IAQYHMDHSA-N 0 0 320.393 0.109 50 0 DCAARN COC(=O)C1(C(=O)N2CCCC[C@H]2CN2CCOCC2)CC1 ZINC000071761986 331922738 /nfs/dbraw/zinc/92/27/38/331922738.db2.gz AAPGZAFOMASLKR-ZDUSSCGKSA-N 0 0 310.394 0.653 50 0 DCAARN CCN1CCN(CC(=O)NC[C@H]2CCCO2)C[C@H]1c1ncc[nH]1 ZINC000332931132 333396662 /nfs/dbraw/zinc/39/66/62/333396662.db2.gz FMXSSUZFXBWYNY-KGLIPLIRSA-N 0 0 321.425 0.384 50 0 DCAARN Cc1noc(C)c1CNC(=O)N1CC[C@@]2(C1)CN(C)C(=O)CO2 ZINC000534577361 334288166 /nfs/dbraw/zinc/28/81/66/334288166.db2.gz DRNKEQSCGBYQAG-HNNXBMFYSA-N 0 0 322.365 0.434 50 0 DCAARN CC(C)[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1nccn1C ZINC000534644074 334306193 /nfs/dbraw/zinc/30/61/93/334306193.db2.gz ZHWXHMYTEOMIEK-LLVKDONJSA-N 0 0 314.411 0.557 50 0 DCAARN COCCc1noc(CNC(=O)c2cnc(C3CC3)nc2)n1 ZINC000534639525 334310755 /nfs/dbraw/zinc/31/07/55/334310755.db2.gz HUIGUUWEODGCLB-UHFFFAOYSA-N 0 0 303.322 0.856 50 0 DCAARN CCc1nc(C)c(CNS(=O)(=O)N2CCOCC2)s1 ZINC000534652456 334312464 /nfs/dbraw/zinc/31/24/64/334312464.db2.gz YLMBTDYTANRHCD-UHFFFAOYSA-N 0 0 305.425 0.681 50 0 DCAARN CC(C)C[C@H](NS(=O)(=O)N1CCCC1)c1ncnn1C ZINC000534655560 334313739 /nfs/dbraw/zinc/31/37/39/334313739.db2.gz LPUMSWUPYNTNFM-NSHDSACASA-N 0 0 301.416 0.833 50 0 DCAARN CN1CCN([C@H]2COC[C@@H]2NC(=O)c2ccc(F)cc2)CC1 ZINC000534658241 334314566 /nfs/dbraw/zinc/31/45/66/334314566.db2.gz OIBANCRNUOBGAE-GJZGRUSLSA-N 0 0 307.369 0.570 50 0 DCAARN CC(C)[C@@H](NS(=O)(=O)N1CCOCC1)c1nccn1C ZINC000534659660 334315424 /nfs/dbraw/zinc/31/54/24/334315424.db2.gz NQRRHOLXANULFI-LLVKDONJSA-N 0 0 302.400 0.284 50 0 DCAARN CC(C)[C@@H](NS(=O)(=O)N1CCN(C)CC1)c1ccccn1 ZINC000534668481 334319695 /nfs/dbraw/zinc/31/96/95/334319695.db2.gz BCJJGCMAUIHTLW-CQSZACIVSA-N 0 0 312.439 0.861 50 0 DCAARN CCO[C@H]1COC[C@@H]1NC(=O)c1cccc(OCC(N)=O)c1 ZINC000534663478 334323287 /nfs/dbraw/zinc/32/32/87/334323287.db2.gz WKBZJTARTRUSGD-STQMWFEESA-N 0 0 308.334 0.084 50 0 DCAARN COc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H]3C2=O)[C@H](O)[C@@H]4O)cc1 ZINC000252383395 337383703 /nfs/dbraw/zinc/38/37/03/337383703.db2.gz VQUYMXMZIHBLKK-LEZGYBIHSA-N 0 0 303.314 0.172 50 0 DCAARN NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCc3ccccc3CC2)O1 ZINC000154293977 534438443 /nfs/dbraw/zinc/43/84/43/534438443.db2.gz IFMJRJRQBGDVOH-CABCVRRESA-N 0 0 317.389 0.830 50 0 DCAARN O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCC(F)(F)C1 ZINC000390834488 534852060 /nfs/dbraw/zinc/85/20/60/534852060.db2.gz ZQRDRBLBWSMZTJ-SNVBAGLBSA-N 0 0 310.300 0.985 50 0 DCAARN Cc1nc(C)c(CN2CCN(CCS(N)(=O)=O)CC2)s1 ZINC000267973725 526715432 /nfs/dbraw/zinc/71/54/32/526715432.db2.gz WGMCSIPDZMFWRC-UHFFFAOYSA-N 0 0 318.468 0.166 50 0 DCAARN CC1=C(C(N)=O)[C@H](c2ccc(Cl)cc2)N2NC(CO)=NC2=N1 ZINC000390834976 528084862 /nfs/dbraw/zinc/08/48/62/528084862.db2.gz 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/nfs/dbraw/zinc/10/17/97/547101797.db2.gz PJOUAKMYDXCHPP-UHFFFAOYSA-N 0 0 309.366 0.298 50 0 DCAARN CC(C)(C)n1nc(CC(N)=O)nc1CCN1CCCCC1=O ZINC000670472386 547101927 /nfs/dbraw/zinc/10/19/27/547101927.db2.gz PXSFIEXBAQRCSP-UHFFFAOYSA-N 0 0 307.398 0.616 50 0 DCAARN CNC(=O)C1(C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000680940899 548186367 /nfs/dbraw/zinc/18/63/67/548186367.db2.gz ZLGNTZGVPVICKF-UHFFFAOYSA-N 0 0 301.346 0.388 50 0 DCAARN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2[nH]cnc2C)cn1 ZINC000685940093 548746225 /nfs/dbraw/zinc/74/62/25/548746225.db2.gz OURPJBSTWBIKIQ-UONOGXRCSA-N 0 0 319.365 0.440 50 0 DCAARN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3ccc(C)o3)C2)C1 ZINC000685943098 548748178 /nfs/dbraw/zinc/74/81/78/548748178.db2.gz VTWKKMUXVYMKRT-SNVBAGLBSA-N 0 0 305.334 0.007 50 0 DCAARN Cn1cnc(=O)n1Cc1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000888094344 661160109 /nfs/dbraw/zinc/16/01/09/661160109.db2.gz JIKWEDBWYMCCIX-UHFFFAOYSA-N 0 0 321.280 0.924 50 0 DCAARN CN1CC[C@H](C(=O)NCC2(C(F)(F)F)CCC2)S1(=O)=O ZINC000888092812 661152406 /nfs/dbraw/zinc/15/24/06/661152406.db2.gz TZMFCWGOYVMAQZ-MRVPVSSYSA-N 0 0 314.329 0.869 50 0 DCAARN CNS(=O)(=O)CCNC(=O)[C@H](c1ccccc1C)N(C)C ZINC000952981671 665841938 /nfs/dbraw/zinc/84/19/38/665841938.db2.gz OMCFYZDZELRYMP-ZDUSSCGKSA-N 0 0 313.423 0.263 50 0 DCAARN COC(=O)c1ccc2c(S(=O)(=O)NCC(F)F)ncn2c1 ZINC000952994269 665875436 /nfs/dbraw/zinc/87/54/36/665875436.db2.gz YQHZQKRPSWMDKW-UHFFFAOYSA-N 0 0 319.289 0.664 50 0 DCAARN CCOc1cccc(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)c1 ZINC000585089615 662947588 /nfs/dbraw/zinc/94/75/88/662947588.db2.gz JIHACYMGBWNKNE-ZDUSSCGKSA-N 0 0 312.391 0.735 50 0 DCAARN CC(=O)N1CCC([C@@H]2CCN(C(=O)CN3CCCC3=O)C2)CC1 ZINC000169781473 664561420 /nfs/dbraw/zinc/56/14/20/664561420.db2.gz QXWVRTDEWDNGQK-OAHLLOKOSA-N 0 0 321.421 0.716 50 0 DCAARN CCN1C[C@H](CN(C)c2nc3nonc3nc2N(C)C)CC1=O ZINC000012112116 666334542 /nfs/dbraw/zinc/33/45/42/666334542.db2.gz VSTRKBRUXFZUGP-VIFPVBQESA-N 0 0 319.369 0.383 50 0 DCAARN CCOC(=O)N1CCN(C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000863968802 667203861 /nfs/dbraw/zinc/20/38/61/667203861.db2.gz OJLBDQTVZUHHFW-UKRRQHHQSA-N 0 0 300.399 0.673 50 0 DCAARN COC[C@H](O)CN(C)C(=O)c1cnn(C2CCOCC2)c1C ZINC000125681412 668149056 /nfs/dbraw/zinc/14/90/56/668149056.db2.gz DQHKMCCCMABUEO-CYBMUJFWSA-N 0 0 311.382 0.622 50 0 DCAARN CCN(CC)S(=O)(=O)N1CCN(Cc2cncs2)CC1 ZINC000768216910 668603191 /nfs/dbraw/zinc/60/31/91/668603191.db2.gz JRLAHXODKMHHDA-UHFFFAOYSA-N 0 0 318.468 0.847 50 0 DCAARN CS(=O)(=O)NCCC(=O)Nc1cccc(-c2c[nH]cn2)c1 ZINC000952963864 685598037 /nfs/dbraw/zinc/59/80/37/685598037.db2.gz AFFZMJCFTAUUTN-UHFFFAOYSA-N 0 0 308.363 0.955 50 0 DCAARN COCC(=O)Nc1ccc(OC)cc1NC(=O)[C@H](C)NC(C)=O ZINC000952976326 685601170 /nfs/dbraw/zinc/60/11/70/685601170.db2.gz ZHZLFDUBSLRNJK-VIFPVBQESA-N 0 0 323.349 0.743 50 0 DCAARN O=C(CCN1CCCCCC1=O)N1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000952982474 685602026 /nfs/dbraw/zinc/60/20/26/685602026.db2.gz XWJKLEREKRNDDG-PYHGIMPFSA-N 0 0 324.421 0.369 50 0 DCAARN CC(C)(C)OC(=O)N1CC(NC(=O)C(N)=O)(c2ccccc2)C1 ZINC000952994410 685603412 /nfs/dbraw/zinc/60/34/12/685603412.db2.gz UBPSGGMRGFDEAP-UHFFFAOYSA-N 0 0 319.361 0.734 50 0 DCAARN Cn1ccnc1CN(CCO)C(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000952988650 685602873 /nfs/dbraw/zinc/60/28/73/685602873.db2.gz TTZHLGLFGXXZEP-ZDUSSCGKSA-N 0 0 320.393 0.142 50 0 DCAARN Cc1cnc(N2CCC(C(N)=O)CC2)nc1-c1ccnn1C ZINC000019595578 685052204 /nfs/dbraw/zinc/05/22/04/685052204.db2.gz IJWXHFSJISDOIY-UHFFFAOYSA-N 0 0 300.366 0.887 50 0 DCAARN CC(C)Cc1nnc(NC(=O)NCc2nnc3n2CCC3)[nH]1 ZINC000023505593 685052918 /nfs/dbraw/zinc/05/29/18/685052918.db2.gz IRPIFPQUJFIWRR-UHFFFAOYSA-N 0 0 304.358 0.863 50 0 DCAARN C[C@H](Cc1ccccc1)C(=O)N1CCC2(CC1)NCCNC2=O ZINC000067907863 685071292 /nfs/dbraw/zinc/07/12/92/685071292.db2.gz FBKJURVTCPCPGB-CQSZACIVSA-N 0 0 315.417 0.946 50 0 DCAARN Cc1ncccc1C(=O)N[C@@H]1CN(c2ccncn2)C[C@H]1CO ZINC000257193970 685188499 /nfs/dbraw/zinc/18/84/99/685188499.db2.gz SHKFRATVMSOESV-GXTWGEPZSA-N 0 0 313.361 0.407 50 0 DCAARN CN(CC(=O)N1CCC([C@@H](O)CO)CC1)Cc1ccncc1 ZINC001772706544 1157844558 /nfs/dbraw/zinc/84/45/58/1157844558.db2.gz TWNZESOBTWKNGM-HNNXBMFYSA-N 0 0 307.394 0.105 50 0 DCAARN COc1ccc(C(=O)[O-])cc1CN1C[C@@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001772710895 1157847013 /nfs/dbraw/zinc/84/70/13/1157847013.db2.gz UMKOOUMUMHWSBQ-BBRMVZONSA-N 0 0 306.362 0.407 50 0 DCAARN COc1cccc(CN2C[C@@H]3COC[C@H](C2)N(C)C3=O)c1OC ZINC001704304209 1179966344 /nfs/dbraw/zinc/96/63/44/1179966344.db2.gz BFVVYSSPVGYGKV-KGLIPLIRSA-N 0 0 320.389 0.993 50 0 DCAARN COCCc1noc(CN2C[C@@H](Cc3cc(C)no3)[C@H](O)C2)n1 ZINC001704302902 1179966555 /nfs/dbraw/zinc/96/65/55/1179966555.db2.gz FDYAOYDEOWLFSJ-DGCLKSJQSA-N 0 0 322.365 0.590 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3n[nH]cc3Cl)C[C@H]2O)[nH]n1 ZINC001704301272 1179966897 /nfs/dbraw/zinc/96/68/97/1179966897.db2.gz SIIBTWHHQZLNQF-LDYMZIIASA-N 0 0 309.757 0.770 50 0 DCAARN CN1C[C@H]2COC[C@@H]1CN(C(=O)c1scc3c1OCCO3)C2 ZINC001704311860 1179968877 /nfs/dbraw/zinc/96/88/77/1179968877.db2.gz URBUXQHFQBXPDR-MNOVXSKESA-N 0 0 324.402 0.922 50 0 DCAARN Cc1ccccc1S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N(C)C2 ZINC001704315650 1179971002 /nfs/dbraw/zinc/97/10/02/1179971002.db2.gz AEWDAUINMAKDNN-KGLIPLIRSA-N 0 0 310.419 0.946 50 0 DCAARN CC(C)c1ncc(CN2C[C@@H]3COC[C@H](C2)N(C)C3=O)cn1 ZINC001704328545 1179973425 /nfs/dbraw/zinc/97/34/25/1179973425.db2.gz KYWPUEVMRLVHGK-KGLIPLIRSA-N 0 0 304.394 0.889 50 0 DCAARN CC1=CC2(CCN(C(=O)CCNS(C)(=O)=O)CC2)OCC1 ZINC001704342428 1179979129 /nfs/dbraw/zinc/97/91/29/1179979129.db2.gz CIFMPGRQFXZYCC-UHFFFAOYSA-N 0 0 316.423 0.654 50 0 DCAARN CO[C@@H]1CCC[C@]12CCCN(C(=O)CCNS(C)(=O)=O)C2 ZINC001704339359 1179979229 /nfs/dbraw/zinc/97/92/29/1179979229.db2.gz RKXUOWKNISFBFT-TZMCWYRMSA-N 0 0 318.439 0.733 50 0 DCAARN O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1nc2ncccn2n1 ZINC001704342831 1179980529 /nfs/dbraw/zinc/98/05/29/1179980529.db2.gz QPUCEWUHALKXBY-OLZOCXBDSA-N 0 0 324.344 0.507 50 0 DCAARN CN1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)c1ccco1)C2 ZINC000675011215 748025530 /nfs/dbraw/zinc/02/55/30/748025530.db2.gz QVBZAIGGEOMAII-MNOVXSKESA-N 0 0 317.349 0.265 50 0 DCAARN CC(=O)N(CCNC(=O)Cc1c(C)noc1C)C1CCOCC1 ZINC000675021870 748028390 /nfs/dbraw/zinc/02/83/90/748028390.db2.gz GKDUFULLNOVATC-UHFFFAOYSA-N 0 0 323.393 0.978 50 0 DCAARN CCN1C[C@@H](NS(=O)(=O)c2ccc3[nH]cnc3c2)CC1=O ZINC000823102379 758224244 /nfs/dbraw/zinc/22/42/44/758224244.db2.gz HKSLMCWTKCJEKL-VIFPVBQESA-N 0 0 308.363 0.462 50 0 DCAARN CCNC(=O)[C@H]1CCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000823123411 758226742 /nfs/dbraw/zinc/22/67/42/758226742.db2.gz YZKBAATXWFBBJK-JTQLQIEISA-N 0 0 300.384 0.173 50 0 DCAARN CCc1nc(S(=O)(=O)NCCCn2ccccc2=O)c[nH]1 ZINC000823484488 758249031 /nfs/dbraw/zinc/24/90/31/758249031.db2.gz IFRPQNKJYZNOBL-UHFFFAOYSA-N 0 0 310.379 0.502 50 0 DCAARN O=C(c1ccco1)N1CCC[C@@H](NS(=O)(=O)c2cn[nH]c2)C1 ZINC000828188991 758943759 /nfs/dbraw/zinc/94/37/59/758943759.db2.gz RHXCQHCLIFCOOE-SNVBAGLBSA-N 0 0 324.362 0.586 50 0 DCAARN O=C1C[C@@H](CNS(=O)(=O)c2cn[nH]c2)CN1c1ccccc1 ZINC000828244744 758963742 /nfs/dbraw/zinc/96/37/42/758963742.db2.gz PXRRWKCZWHJCBH-NSHDSACASA-N 0 0 320.374 0.741 50 0 DCAARN CN(Cc1ccccc1)S(=O)(=O)NC[C@H]1CC(=O)N(C)C1 ZINC000828248272 758963830 /nfs/dbraw/zinc/96/38/30/758963830.db2.gz VNXVAYZATQXTND-CYBMUJFWSA-N 0 0 311.407 0.431 50 0 DCAARN O=S(=O)(NCCSc1nc[nH]n1)N1CCCCCC1 ZINC000828388761 759001463 /nfs/dbraw/zinc/00/14/63/759001463.db2.gz DTXAOHQMUMNHNE-UHFFFAOYSA-N 0 0 305.429 0.607 50 0 DCAARN CCOCCCNC(=O)N1C[C@H]2CN(CCOC)C[C@@H](C1)O2 ZINC000581782224 760250123 /nfs/dbraw/zinc/25/01/23/760250123.db2.gz CRWDFXRNUQQMFQ-OKILXGFUSA-N 0 0 315.414 0.154 50 0 DCAARN CCNC(=O)N1CCC2(CC1)N(CC1CC1)C(=O)C[S@]2=O ZINC000581794053 760252795 /nfs/dbraw/zinc/25/27/95/760252795.db2.gz NFIBILSSYNGZPK-OAQYLSRUSA-N 0 0 313.423 0.509 50 0 DCAARN COCC(=O)N[C@H]1CCC12CCN(C(=O)c1cnccn1)CC2 ZINC000581803736 760253847 /nfs/dbraw/zinc/25/38/47/760253847.db2.gz SOHDFJPUFZFHGJ-ZDUSSCGKSA-N 0 0 318.377 0.624 50 0 DCAARN CCn1ccc(C(=O)N2CC(c3nc(CCOC)no3)C2)n1 ZINC000581809450 760255303 /nfs/dbraw/zinc/25/53/03/760255303.db2.gz MNLLBICXCMKTFH-UHFFFAOYSA-N 0 0 305.338 0.715 50 0 DCAARN CN(C)S(=O)(=O)N1CC(c2nc(Cc3cccnc3)no2)C1 ZINC000581815016 760256117 /nfs/dbraw/zinc/25/61/17/760256117.db2.gz QWAAQGUBRNYOIP-UHFFFAOYSA-N 0 0 323.378 0.261 50 0 DCAARN CC(C)(C)OC(=O)N1[C@@H](CN2CCNC(=O)C2)COC1(C)C ZINC000585086128 766272119 /nfs/dbraw/zinc/27/21/19/766272119.db2.gz HIEHEAATZZRNPV-NSHDSACASA-N 0 0 313.398 0.790 50 0 DCAARN CN(CC(=O)N1CCS[C@@H]1C(F)(F)F)S(C)(=O)=O ZINC000585126422 766289843 /nfs/dbraw/zinc/28/98/43/766289843.db2.gz YTZMEXHWQFETNP-SSDOTTSWSA-N 0 0 306.331 0.342 50 0 DCAARN O=C(NCCc1ccncc1)NCCN1CCC2(C1)OCCO2 ZINC000952848916 768911477 /nfs/dbraw/zinc/91/14/77/768911477.db2.gz LDOMHEYPNKSEOX-UHFFFAOYSA-N 0 0 320.393 0.372 50 0 DCAARN CN(C)c1cncc(C[C@@H]2CC[C@H](CN3CCOCC3)O2)n1 ZINC000952853163 768917057 /nfs/dbraw/zinc/91/70/57/768917057.db2.gz ZEZYDAYIANYZLM-LSDHHAIUSA-N 0 0 306.410 0.965 50 0 DCAARN O=C(Cn1cccn1)NC[C@H]1CCCN(Cc2c[nH]cn2)C1 ZINC000952861155 768922092 /nfs/dbraw/zinc/92/20/92/768922092.db2.gz DLRRXJJMGQVPHL-CYBMUJFWSA-N 0 0 302.382 0.635 50 0 DCAARN CC(C)Cc1cc(C(=O)N[C@H]2CCCCNC2=O)[nH]c(=O)n1 ZINC000952871956 768933335 /nfs/dbraw/zinc/93/33/35/768933335.db2.gz DRKPPVYCXBDZLP-NSHDSACASA-N 0 0 306.366 0.779 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)N[C@H]2CC[C@@H](O)[C@@H](O)CC2)CC1=O ZINC000952877849 768941895 /nfs/dbraw/zinc/94/18/95/768941895.db2.gz WIDIEYRQVGDFCN-FQUUOJAGSA-N 0 0 312.410 0.272 50 0 DCAARN C[C@H]1C[C@H](C(=O)NCCc2nnc3n2CCNC3=O)C[C@@H](C)C1 ZINC000952882146 768948999 /nfs/dbraw/zinc/94/89/99/768948999.db2.gz JAOXSWPHDNFYDD-GDNZZTSVSA-N 0 0 319.409 0.753 50 0 DCAARN Cc1oncc1CNS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000952883299 768950767 /nfs/dbraw/zinc/95/07/67/768950767.db2.gz ZLGUFSNIYUOQMC-UHFFFAOYSA-N 0 0 317.367 0.156 50 0 DCAARN NC(=O)C1CN(S(=O)(=O)C2=Cc3ccccc3OCC2)C1 ZINC000952884767 768953361 /nfs/dbraw/zinc/95/33/61/768953361.db2.gz NODIIDMMWDDNPM-UHFFFAOYSA-N 0 0 308.359 0.557 50 0 DCAARN Cc1cc(CC(=O)N2C[C@@H](Cc3ccncc3)[C@H](O)C2)on1 ZINC001529187723 1014517263 /nfs/dbraw/zinc/51/72/63/1014517263.db2.gz YNMAIVVRFRFSST-UKRRQHHQSA-N 0 0 301.346 0.983 50 0 DCAARN CN(CC[C@H]1CCCCO1)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001506425172 1017266636 /nfs/dbraw/zinc/26/66/36/1017266636.db2.gz DHJJTSZBEGTTDV-LLVKDONJSA-N 0 0 311.382 0.734 50 0 DCAARN COC(=O)[C@@H](C)NC(=O)[C@H](C)n1nnc2ccccc2c1=O ZINC000095479617 185373489 /nfs/dbraw/zinc/37/34/89/185373489.db2.gz POQWJCBBPCZJBR-BDAKNGLRSA-N 0 0 304.306 0.030 50 0 DCAARN COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)C(=O)c1ccco1)C2 ZINC000095503255 185374954 /nfs/dbraw/zinc/37/49/54/185374954.db2.gz PMIYNWNPXFFYDD-NWDGAFQWSA-N 0 0 320.345 0.558 50 0 DCAARN COc1cccn(CC(=O)N2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1=O ZINC000095504992 185375338 /nfs/dbraw/zinc/37/53/38/185375338.db2.gz FYIWFQFKANTCEE-FNFFVJSTSA-N 0 0 304.346 0.493 50 0 DCAARN CCN(CCn1cccn1)C(=O)Cn1cccc(OC)c1=O ZINC000095511479 185376072 /nfs/dbraw/zinc/37/60/72/185376072.db2.gz SPLDHRHVOLLWBY-UHFFFAOYSA-N 0 0 304.350 0.602 50 0 DCAARN CN(C[C@H]1CCCCO1)C(=O)CN1C(=O)COc2cccnc21 ZINC000095518570 185376644 /nfs/dbraw/zinc/37/66/44/185376644.db2.gz FZAKRWUWZYTMJD-GFCCVEGCSA-N 0 0 319.361 0.835 50 0 DCAARN CN(C)c1cncc(O[C@H]2CCN(C(=O)c3ccno3)C2)n1 ZINC000225397898 201702273 /nfs/dbraw/zinc/70/22/73/201702273.db2.gz MZGWIOSXFUZHKB-JTQLQIEISA-N 0 0 303.322 0.824 50 0 DCAARN CNS(=O)(=O)CCCn1nnc(-c2ccc(F)c(C)c2)n1 ZINC000079309274 185164175 /nfs/dbraw/zinc/16/41/75/185164175.db2.gz YEERFANFMDMOCI-UHFFFAOYSA-N 0 0 313.358 0.727 50 0 DCAARN CN(C)S(=O)(=O)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 ZINC000036071037 282158464 /nfs/dbraw/zinc/15/84/64/282158464.db2.gz GEUXWSCTPCHSSG-ZDUSSCGKSA-N 0 0 309.391 0.234 50 0 DCAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CNC(=O)N1 ZINC000089969172 185272241 /nfs/dbraw/zinc/27/22/41/185272241.db2.gz SCZDXZVNTPUWPS-MNOVXSKESA-N 0 0 305.334 0.356 50 0 DCAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1CCOC1=O ZINC000082133741 192358727 /nfs/dbraw/zinc/35/87/27/192358727.db2.gz SBSOYBUWCVPDOQ-UHFFFAOYSA-N 0 0 316.317 0.334 50 0 DCAARN CCc1cnc(N2CCN(CCN3CCOCC3)CC2)nc1 ZINC000095390356 185351687 /nfs/dbraw/zinc/35/16/87/185351687.db2.gz JDMIHVQFWKYDRM-UHFFFAOYSA-N 0 0 305.426 0.493 50 0 DCAARN CCN(C(=O)c1ccn(C)c(=O)c1)[C@H](C)CS(C)(=O)=O ZINC000097001890 185396272 /nfs/dbraw/zinc/39/62/72/185396272.db2.gz SIPBITVTPQOHLC-SNVBAGLBSA-N 0 0 300.380 0.281 50 0 DCAARN O=C(Cc1ccccc1)NCCC(=O)N1CCOC[C@@H]1CCO ZINC000095451150 185369071 /nfs/dbraw/zinc/36/90/71/185369071.db2.gz QRIREXLBCCGTTC-HNNXBMFYSA-N 0 0 320.389 0.345 50 0 DCAARN CC(C)n1nnnc1CN1CCC([C@H](O)c2nccn2C)CC1 ZINC000095442024 185366432 /nfs/dbraw/zinc/36/64/32/185366432.db2.gz CHPHDKXTXBFEAB-AWEZNQCLSA-N 0 0 319.413 0.933 50 0 DCAARN CCC(CO)(CO)NC(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000095454917 185369855 /nfs/dbraw/zinc/36/98/55/185369855.db2.gz UWTXCSBCGDVYGB-UHFFFAOYSA-N 0 0 323.393 0.952 50 0 DCAARN Cn1ccnc1C(=O)NC[C@H](O)C(=O)OCc1ccccc1 ZINC000095462231 185370843 /nfs/dbraw/zinc/37/08/43/185370843.db2.gz VRDFMLGXMPHZHH-LBPRGKRZSA-N 0 0 303.318 0.254 50 0 DCAARN CCOC(=O)[C@@H](CO)NC(=O)c1ccn(-c2ccccc2F)n1 ZINC000097032795 185399659 /nfs/dbraw/zinc/39/96/59/185399659.db2.gz SJFDDKQCTCUMHT-GFCCVEGCSA-N 0 0 321.308 0.665 50 0 DCAARN Cc1nn(Cn2ccc(C(=O)NCCCO)n2)c(C)c1Cl ZINC000032611224 190659687 /nfs/dbraw/zinc/65/96/87/190659687.db2.gz CJKJHMHHTOQZCT-UHFFFAOYSA-N 0 0 311.773 0.968 50 0 DCAARN COc1ccc(-n2cnc(C(=O)NCC(=O)N(C)C)c2)cc1 ZINC000226753331 201786199 /nfs/dbraw/zinc/78/61/99/201786199.db2.gz DFKPZKQFNBMOHN-UHFFFAOYSA-N 0 0 302.334 0.699 50 0 DCAARN COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)Cc1nc2ccccc2[nH]1 ZINC000067514208 190710532 /nfs/dbraw/zinc/71/05/32/190710532.db2.gz PEMBHGDLILAFPE-GXFFZTMASA-N 0 0 317.345 0.630 50 0 DCAARN COc1ccccc1OCc1cn(CC(=O)NC[C@H](C)O)nn1 ZINC000227160595 201795286 /nfs/dbraw/zinc/79/52/86/201795286.db2.gz VLHTUHNFNDYXNX-NSHDSACASA-N 0 0 320.349 0.363 50 0 DCAARN CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](C)O ZINC000170624210 197794574 /nfs/dbraw/zinc/79/45/74/197794574.db2.gz HCYXTKSGRYCTGU-SECBINFHSA-N 0 0 309.370 0.406 50 0 DCAARN Nc1n[nH]c(CCNC(=O)C2(N3CCOCC3)CCCCC2)n1 ZINC000534576213 412539130 /nfs/dbraw/zinc/53/91/30/412539130.db2.gz MMGJYIZMWDKGBD-UHFFFAOYSA-N 0 0 322.413 0.081 50 0 DCAARN COC[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1SC ZINC000070779711 190916699 /nfs/dbraw/zinc/91/66/99/190916699.db2.gz XTRGLQHAWQSYLI-CQSZACIVSA-N 0 0 312.391 0.861 50 0 DCAARN CNS(=O)(=O)CC(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000083608150 192375028 /nfs/dbraw/zinc/37/50/28/192375028.db2.gz JRSRDAOEJRBELZ-SNVBAGLBSA-N 0 0 300.355 0.691 50 0 DCAARN CCc1noc([C@H](C)N2CCN(c3cnn(C)c3)C(=O)C2)n1 ZINC000083830469 192385482 /nfs/dbraw/zinc/38/54/82/192385482.db2.gz FAYVQYLOGXCWKB-JTQLQIEISA-N 0 0 304.354 0.775 50 0 DCAARN Cc1nc2cc(CC(=O)NCCS(=O)(=O)N(C)C)ccc2[nH]1 ZINC000071736503 191020157 /nfs/dbraw/zinc/02/01/57/191020157.db2.gz HKBBECLAKLJXKK-UHFFFAOYSA-N 0 0 324.406 0.421 50 0 DCAARN C[C@@H](CCO)NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000084637394 192448970 /nfs/dbraw/zinc/44/89/70/192448970.db2.gz WDJMRSAKXFKNFI-JTQLQIEISA-N 0 0 312.391 0.628 50 0 DCAARN Cc1c(C(=O)N2CCC[C@](O)(CO)CC2)cnc2ccnn21 ZINC000072128396 191043517 /nfs/dbraw/zinc/04/35/17/191043517.db2.gz JESHYWKFKDNPPQ-OAHLLOKOSA-N 0 0 304.350 0.387 50 0 DCAARN O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1cnn2ccccc12 ZINC000072134471 191046456 /nfs/dbraw/zinc/04/64/56/191046456.db2.gz FBSNWLUYFXGWKG-NSHDSACASA-N 0 0 307.375 0.775 50 0 DCAARN Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)N2CCn3cncc3C2)n1 ZINC000072144278 191050940 /nfs/dbraw/zinc/05/09/40/191050940.db2.gz MDPAGWMKXYMEBP-JTQLQIEISA-N 0 0 319.390 0.798 50 0 DCAARN O=C(c1ccc(Cn2ccnc2)o1)N1CC[C@H](CO)[C@@H](O)C1 ZINC000072146062 191052642 /nfs/dbraw/zinc/05/26/42/191052642.db2.gz QKSSTAJMTNZLBD-YPMHNXCESA-N 0 0 305.334 0.340 50 0 DCAARN CS(=O)(=O)c1ccc(CN2CCC[C@](O)(CO)CC2)cc1 ZINC000072148194 191054480 /nfs/dbraw/zinc/05/44/80/191054480.db2.gz XJTJVKRXLQBJKY-OAHLLOKOSA-N 0 0 313.419 0.799 50 0 DCAARN CC(C)CC(=O)C(=O)NC[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000072151705 191056389 /nfs/dbraw/zinc/05/63/89/191056389.db2.gz WTYIHBMEQFNEDE-LBPRGKRZSA-N 0 0 320.393 0.338 50 0 DCAARN CCCn1cnnc1CNC(=O)c1cn(C[C@@H]2CCCO2)nn1 ZINC000072165051 191064492 /nfs/dbraw/zinc/06/44/92/191064492.db2.gz DQNXDZWIFQPVTI-NSHDSACASA-N 0 0 319.369 0.389 50 0 DCAARN Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCO)cc1 ZINC000072170222 191067572 /nfs/dbraw/zinc/06/75/72/191067572.db2.gz JZHYEDIIWOHBRD-OAHLLOKOSA-N 0 0 319.405 0.136 50 0 DCAARN COc1ccccc1OCc1cc(C(=O)N[C@H](C)C(N)=O)[nH]n1 ZINC000072171178 191069996 /nfs/dbraw/zinc/06/99/96/191069996.db2.gz UVWCJHRJSKEGEI-SECBINFHSA-N 0 0 318.333 0.601 50 0 DCAARN CCS(=O)(=O)NCCNc1nnnn1-c1ccc(C)cc1 ZINC000072230304 191078354 /nfs/dbraw/zinc/07/83/54/191078354.db2.gz ADPQUJIPDOOHBL-UHFFFAOYSA-N 0 0 310.383 0.322 50 0 DCAARN CCc1ccccc1OCC(=O)N[C@H](CC(=O)OC)C(=O)OC ZINC000072245336 191087304 /nfs/dbraw/zinc/08/73/04/191087304.db2.gz CKTKXYQQBHESQE-GFCCVEGCSA-N 0 0 323.345 0.849 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)c2ccc(N(C)C)nn2)CC1 ZINC000072269897 191092938 /nfs/dbraw/zinc/09/29/38/191092938.db2.gz JZIIBWUZDBBJDW-LBPRGKRZSA-N 0 0 307.398 0.071 50 0 DCAARN Nc1nc(CSCCN2C(=O)CNC2=O)nc2ccccc12 ZINC000072275809 191096803 /nfs/dbraw/zinc/09/68/03/191096803.db2.gz WKTVEKABXSLZDB-UHFFFAOYSA-N 0 0 317.374 0.997 50 0 DCAARN O=C(c1cn[nH]n1)N1CCN(c2ncnc3ccsc32)CC1 ZINC000072295756 191111862 /nfs/dbraw/zinc/11/18/62/191111862.db2.gz RVQKGZYQYWKNBB-UHFFFAOYSA-N 0 0 315.362 0.772 50 0 DCAARN C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)CN1C(=O)CCC1=O ZINC000225597196 186281427 /nfs/dbraw/zinc/28/14/27/186281427.db2.gz PKVJBGMQGOGJAQ-LLVKDONJSA-N 0 0 316.357 0.818 50 0 DCAARN CCOC(=O)N1CCN(C(=O)c2cn(C)c(=O)cc2OC)CC1 ZINC000225651812 186287216 /nfs/dbraw/zinc/28/72/16/186287216.db2.gz ARAXGLRUZRZTOP-UHFFFAOYSA-N 0 0 323.349 0.308 50 0 DCAARN Cn1nc2c(cc1=O)CN(Cc1nc(-c3ccco3)no1)CC2 ZINC000072302377 191114986 /nfs/dbraw/zinc/11/49/86/191114986.db2.gz AWLBWHNFGFVBEH-UHFFFAOYSA-N 0 0 313.317 0.982 50 0 DCAARN NS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000072304062 191116459 /nfs/dbraw/zinc/11/64/59/191116459.db2.gz GAAARQCKGILZDT-WCBMZHEXSA-N 0 0 304.318 0.473 50 0 DCAARN CC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)N1CCOCC1 ZINC000072313972 191120619 /nfs/dbraw/zinc/12/06/19/191120619.db2.gz QSXKDUYISLXIKL-LLVKDONJSA-N 0 0 320.411 0.370 50 0 DCAARN Cc1ccc(NCCCNC(=O)[C@H]2NCCc3nc[nH]c32)nc1 ZINC000072411203 191154596 /nfs/dbraw/zinc/15/45/96/191154596.db2.gz OXBJYMDYYRDAAB-HNNXBMFYSA-N 0 0 314.393 0.918 50 0 DCAARN Cc1nnc(SCCNC(=O)[C@H]2NCCc3nc[nH]c32)s1 ZINC000072429577 191162391 /nfs/dbraw/zinc/16/23/91/191162391.db2.gz VNLYRUSVBOPQNK-JTQLQIEISA-N 0 0 324.435 0.665 50 0 DCAARN Cc1cc(N2CCN(C(=O)c3nc[nH]n3)CC2)n2nccc2n1 ZINC000072432322 191163771 /nfs/dbraw/zinc/16/37/71/191163771.db2.gz IOSHWHUYJGTHLH-UHFFFAOYSA-N 0 0 312.337 0.118 50 0 DCAARN Cc1nc(C2CCN(CC(N)=O)CC2)cc(N2CCOCC2)n1 ZINC000072432230 191164821 /nfs/dbraw/zinc/16/48/21/191164821.db2.gz MQTLAGGTVASKAC-UHFFFAOYSA-N 0 0 319.409 0.286 50 0 DCAARN Cn1ccnc1CN1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000072474356 191178119 /nfs/dbraw/zinc/17/81/19/191178119.db2.gz SMVAICWKGHWGPA-KGLIPLIRSA-N 0 0 324.450 0.113 50 0 DCAARN Cc1nc([C@@H]2CCCN(C(=O)CO)C2)cc(N2CCOCC2)n1 ZINC000072479263 191179597 /nfs/dbraw/zinc/17/95/97/191179597.db2.gz CVKJYBSIIZBZJG-CYBMUJFWSA-N 0 0 320.393 0.320 50 0 DCAARN CN(Cc1cccc2ncccc12)C(=O)CN1C(=O)CNC1=O ZINC000072478914 191180281 /nfs/dbraw/zinc/18/02/81/191180281.db2.gz OXXMEPHKEVOVHK-UHFFFAOYSA-N 0 0 312.329 0.745 50 0 DCAARN O=C(Nc1ccccc1)[C@H](O)[C@@H](O)C(=O)Nc1ccccc1 ZINC000000280747 180746883 /nfs/dbraw/zinc/74/68/83/180746883.db2.gz RMACBBOFZDWABJ-ZIAGYGMSSA-N 0 0 300.314 0.986 50 0 DCAARN Cc1ccn(CC(=O)N2NC(C(F)F)=C[C@]2(O)C(F)F)n1 ZINC000000374342 180769899 /nfs/dbraw/zinc/76/98/99/180769899.db2.gz UNEWENNRRZRDSP-NSHDSACASA-N 0 0 308.235 0.999 50 0 DCAARN Cc1nnc(SCC(=O)NCc2ccccc2)n(N)c1=O ZINC000000392212 180775711 /nfs/dbraw/zinc/77/57/11/180775711.db2.gz NNKSHCBTNSHENI-UHFFFAOYSA-N 0 0 305.363 0.069 50 0 DCAARN O=C1CCC(=O)N1Cc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000000437600 180790519 /nfs/dbraw/zinc/79/05/19/180790519.db2.gz JICDCAXQPMPPPZ-UHFFFAOYSA-N 0 0 300.314 0.985 50 0 DCAARN Cc1ccc(CNC(=O)CSc2nnc(C)c(=O)n2N)cc1 ZINC000003303846 181002431 /nfs/dbraw/zinc/00/24/31/181002431.db2.gz CQZQJNHYPXPUJN-UHFFFAOYSA-N 0 0 319.390 0.377 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1c(F)cccc1F ZINC000003307261 181002662 /nfs/dbraw/zinc/00/26/62/181002662.db2.gz YBVGHGWAZZTNTF-JTQLQIEISA-N 0 0 312.272 0.469 50 0 DCAARN O=C(COC(=O)C1=COCCO1)NC(=O)NCc1ccccc1 ZINC000003542719 181032328 /nfs/dbraw/zinc/03/23/28/181032328.db2.gz JSOCBJFWQABZAK-UHFFFAOYSA-N 0 0 320.301 0.444 50 0 DCAARN CCOC(=O)CN1C(=O)C(=O)N(Cc2ccccc2F)C1=O ZINC000004042309 181066051 /nfs/dbraw/zinc/06/60/51/181066051.db2.gz PBNLHCZDSAVGPI-UHFFFAOYSA-N 0 0 308.265 0.680 50 0 DCAARN Cc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(CCCO)NN32)o1 ZINC000004294243 181093858 /nfs/dbraw/zinc/09/38/58/181093858.db2.gz JMMYOHRSNKPUDV-CYBMUJFWSA-N 0 0 317.349 0.749 50 0 DCAARN Cc1ccc(N2C[C@H](NC(=O)NC(C)(CO)CO)CC2=O)cc1 ZINC000004359976 181102441 /nfs/dbraw/zinc/10/24/41/181102441.db2.gz NVRDCUWMSCZXSB-GFCCVEGCSA-N 0 0 321.377 0.143 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000004505466 181116867 /nfs/dbraw/zinc/11/68/67/181116867.db2.gz RQUYTZVUDZTQME-SNVBAGLBSA-N 0 0 319.404 0.469 50 0 DCAARN CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 ZINC000004505285 181117099 /nfs/dbraw/zinc/11/70/99/181117099.db2.gz XJHCQYJBANPOJO-LLVKDONJSA-N 0 0 303.405 0.884 50 0 DCAARN CCOC(=O)C1=C2C(=O)N(c3ccccc3)C(=O)[C@]2(C)NN1 ZINC000004719448 181141703 /nfs/dbraw/zinc/14/17/03/181141703.db2.gz WQEXMDGFLAILTH-MEBBXXQBSA-N 0 0 301.302 0.457 50 0 DCAARN COCCNS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000004815399 181156043 /nfs/dbraw/zinc/15/60/43/181156043.db2.gz SPHZKGXNYPVNKD-UHFFFAOYSA-N 0 0 302.352 0.578 50 0 DCAARN CC(C)NC(=O)CSc1ccnc2c1c(=O)n(C)c(=O)n2C ZINC000004942239 181176230 /nfs/dbraw/zinc/17/62/30/181176230.db2.gz ALYXOXPUEGYZKU-UHFFFAOYSA-N 0 0 322.390 0.249 50 0 DCAARN COc1ccc(C(=O)NCCNC(=O)c2cnccn2)cc1 ZINC000004985296 181184255 /nfs/dbraw/zinc/18/42/55/181184255.db2.gz ODDKCUVJBKRLOK-UHFFFAOYSA-N 0 0 300.318 0.645 50 0 DCAARN COCCNC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000004996078 181187192 /nfs/dbraw/zinc/18/71/92/181187192.db2.gz HIOUYCFTYHCFRZ-UHFFFAOYSA-N 0 0 316.379 0.224 50 0 DCAARN Cc1ccc(CNC(=O)COC(=O)[C@@H]2COCCO2)cc1F ZINC000075602074 191497483 /nfs/dbraw/zinc/49/74/83/191497483.db2.gz DNBKGHPERSWNAB-ZDUSSCGKSA-N 0 0 311.309 0.709 50 0 DCAARN COc1cc([C@@H]2NS(=O)(=O)N=C2N)cc(OC)c1OC ZINC000005092532 181202828 /nfs/dbraw/zinc/20/28/28/181202828.db2.gz DCNFRNJKDAQOCB-VIFPVBQESA-N 0 0 301.324 0.168 50 0 DCAARN CCCN1CCN(C(=O)c2ccon2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000077426623 191713352 /nfs/dbraw/zinc/71/33/52/191713352.db2.gz WKXBDWADECXWSE-NEPJUHHUSA-N 0 0 313.379 0.008 50 0 DCAARN Cn1c2cn(NC(N)=O)c(-c3ccccc3)c2c(=O)n(C)c1=O ZINC000005348585 181232904 /nfs/dbraw/zinc/23/29/04/181232904.db2.gz PJNMMDQQWSNZCO-UHFFFAOYSA-N 0 0 313.317 0.328 50 0 DCAARN CN(C)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000005450037 181244607 /nfs/dbraw/zinc/24/46/07/181244607.db2.gz BDTLPVUGMRLCBK-OAHLLOKOSA-N 0 0 319.317 0.271 50 0 DCAARN CCN1C(=O)C2=C(C(=O)c3ccc4ccccc4n3)NN[C@H]2C1=O ZINC000005455887 181245868 /nfs/dbraw/zinc/24/58/68/181245868.db2.gz PUPNBHXGDTUZEQ-TZMCWYRMSA-N 0 0 322.324 0.750 50 0 DCAARN Cc1nc2ccc(C(=O)O[C@H](C)C(=O)NC(N)=O)cc2nc1C ZINC000005507327 181251073 /nfs/dbraw/zinc/25/10/73/181251073.db2.gz DBUVNGSFZDFXLT-SECBINFHSA-N 0 0 316.317 0.987 50 0 DCAARN COCCNC(=O)CNS(=O)(=O)c1cc(C)cc(F)c1 ZINC000080713378 192184500 /nfs/dbraw/zinc/18/45/00/192184500.db2.gz AWWNASSUCJCBTC-UHFFFAOYSA-N 0 0 304.343 0.175 50 0 DCAARN CN(C)S(=O)(=O)c1cccc(NC(=S)NCCCO)c1 ZINC000005659755 181268466 /nfs/dbraw/zinc/26/84/66/181268466.db2.gz LAAQYOHZZCAQRP-UHFFFAOYSA-N 0 0 317.436 0.606 50 0 DCAARN COC(=O)[C@H]1C[C@@H](O)CN1CCC(=O)Nc1ccccc1F ZINC000180273795 199139489 /nfs/dbraw/zinc/13/94/89/199139489.db2.gz BUGOMMDERMBRIX-ZWNOBZJWSA-N 0 0 310.325 0.763 50 0 DCAARN O=C1CN([C@@H]2CCS(=O)(=O)C2)C(=S)N1c1ccccc1 ZINC000005938254 181298773 /nfs/dbraw/zinc/29/87/73/181298773.db2.gz RQJRLDIUQXFOLK-LLVKDONJSA-N 0 0 310.400 0.807 50 0 DCAARN CNS(=O)(=O)CCNC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000187880927 200170986 /nfs/dbraw/zinc/17/09/86/200170986.db2.gz CILOFUCTOYBQSW-ZDUSSCGKSA-N 0 0 311.407 0.735 50 0 DCAARN C[C@H]1CNCCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000237633994 202313049 /nfs/dbraw/zinc/31/30/49/202313049.db2.gz TZYOVBGAORBXOP-ZDUSSCGKSA-N 0 0 320.418 0.914 50 0 DCAARN CCc1ccccc1CC(=O)NCCN1CCS(=O)(=O)CC1 ZINC000188303562 200224103 /nfs/dbraw/zinc/22/41/03/200224103.db2.gz BTUPFCFGHWJNOD-UHFFFAOYSA-N 0 0 324.446 0.638 50 0 DCAARN O=C(NCCOc1ncc(Cl)cc1Cl)[C@H]1COCCN1 ZINC000237791579 202355271 /nfs/dbraw/zinc/35/52/71/202355271.db2.gz PZBFFZSRTLOJMJ-SNVBAGLBSA-N 0 0 320.176 0.872 50 0 DCAARN COCCN(Cc1cnc2ccccn12)[C@H]1CCS(=O)(=O)C1 ZINC000158451630 291231595 /nfs/dbraw/zinc/23/15/95/291231595.db2.gz ZPUNQBOWVLSOOT-ZDUSSCGKSA-N 0 0 323.418 0.970 50 0 DCAARN NC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1N ZINC000006054020 181308410 /nfs/dbraw/zinc/30/84/10/181308410.db2.gz VFVHWLQRPBEYRL-VIFPVBQESA-N 0 0 307.335 0.082 50 0 DCAARN C[C@H]1Oc2cc(S(=O)(=O)N3CCOCC3)ccc2NC1=O ZINC000252510350 291246144 /nfs/dbraw/zinc/24/61/44/291246144.db2.gz ZIARTXDTMAFQQV-SECBINFHSA-N 0 0 312.347 0.427 50 0 DCAARN CC(C)CNC(=O)NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000006383845 181336768 /nfs/dbraw/zinc/33/67/68/181336768.db2.gz SIZSYUHZCTZCIV-UHFFFAOYSA-N 0 0 303.318 0.764 50 0 DCAARN O=C(CCS(=O)(=O)c1ccccc1)NCCCn1ccnn1 ZINC000244715948 202491888 /nfs/dbraw/zinc/49/18/88/202491888.db2.gz LFIOCAXIFYRFHB-UHFFFAOYSA-N 0 0 322.390 0.648 50 0 DCAARN CCCn1c(=O)[nH]nc1SCC(=O)NC(=O)NC(C)(C)C ZINC000006482168 181344481 /nfs/dbraw/zinc/34/44/81/181344481.db2.gz YDMWCAZOZKXOOL-UHFFFAOYSA-N 0 0 315.399 0.698 50 0 DCAARN Cn1c(CNC(=O)N2CC(S(C)(=O)=O)C2)nc2ccccc21 ZINC000408523598 239272417 /nfs/dbraw/zinc/27/24/17/239272417.db2.gz LQRWGUXTGOJHJV-UHFFFAOYSA-N 0 0 322.390 0.512 50 0 DCAARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NC[C@@H]1CCCO1 ZINC000006548800 181353595 /nfs/dbraw/zinc/35/35/95/181353595.db2.gz TXSXRRDMFOVCAY-LBPRGKRZSA-N 0 0 323.393 0.926 50 0 DCAARN COCCNC(=O)COC(=O)/C=C/c1cnc2ccccc2n1 ZINC000006579953 181356115 /nfs/dbraw/zinc/35/61/15/181356115.db2.gz LNFRHKPJZHCZOS-VOTSOKGWSA-N 0 0 315.329 0.949 50 0 DCAARN COCCNC(=O)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000006669523 181368109 /nfs/dbraw/zinc/36/81/09/181368109.db2.gz LYMDOOXGPQRTTP-UHFFFAOYSA-N 0 0 311.363 0.037 50 0 DCAARN C[C@H]1c2ccsc2CCN1CCS(=O)(=O)CCC(N)=O ZINC000016420631 291326554 /nfs/dbraw/zinc/32/65/54/291326554.db2.gz PVJNSVZPQGBSMO-JTQLQIEISA-N 0 0 316.448 0.957 50 0 DCAARN CN(C)c1nc(N2CCC3(C[NH2+][C@H](C(=O)[O-])C3)CC2)ncc1F ZINC000091391250 193049372 /nfs/dbraw/zinc/04/93/72/193049372.db2.gz UIHNNKXNGDKARV-NSHDSACASA-N 0 0 323.372 0.715 50 0 DCAARN CCC[C@H]1CN(Cc2nc(C)c(C)n2C)C[C@@H]1NC(=O)CO ZINC000091380829 193049598 /nfs/dbraw/zinc/04/95/98/193049598.db2.gz JIWBLRWHHVSOCU-KBPBESRZSA-N 0 0 308.426 0.746 50 0 DCAARN C[C@H](O)CN1CC2(CCC1=O)CCN(Cc1ncc[nH]1)CC2 ZINC000091416486 193052876 /nfs/dbraw/zinc/05/28/76/193052876.db2.gz ZQUXFIRQXGNASG-ZDUSSCGKSA-N 0 0 306.410 0.995 50 0 DCAARN O=C(CCc1nc(Cl)n[nH]1)N1CC[C@@]2(C1)CCCNC2=O ZINC000091535003 193069906 /nfs/dbraw/zinc/06/99/06/193069906.db2.gz KNOQVUKZTJCKCR-CYBMUJFWSA-N 0 0 311.773 0.519 50 0 DCAARN CCn1c(Cn2cncn2)nnc1C1CCN(C(=O)OC)CC1 ZINC000091536543 193071061 /nfs/dbraw/zinc/07/10/61/193071061.db2.gz BZCAIZUGRSMWLD-UHFFFAOYSA-N 0 0 319.369 0.884 50 0 DCAARN C[C@@H]1CN(C(=O)C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C[C@H](C)O1 ZINC000091664495 193086432 /nfs/dbraw/zinc/08/64/32/193086432.db2.gz POSHJCLZSDZGPY-UZGDPCLZSA-N 0 0 310.394 0.665 50 0 DCAARN O=C(NCCN1CCOC1=O)[C@@H]1CC(=O)Nc2ccc(F)cc21 ZINC000091738259 193100151 /nfs/dbraw/zinc/10/01/51/193100151.db2.gz ULYRNDUUFYYIJM-LLVKDONJSA-N 0 0 321.308 0.820 50 0 DCAARN CC[C@H](NC(=O)CN1CCC(C(N)=O)CC1)c1nc(C)no1 ZINC000091746258 193100378 /nfs/dbraw/zinc/10/03/78/193100378.db2.gz CCXOGTXVVOZQDR-NSHDSACASA-N 0 0 309.370 0.143 50 0 DCAARN Cc1nn(CCC(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3O)c(C)c1C ZINC000091965590 193133627 /nfs/dbraw/zinc/13/36/27/193133627.db2.gz OLPCUQBZSRKQSF-GASCZTMLSA-N 0 0 321.421 0.933 50 0 DCAARN Cc1nccc(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)n1 ZINC000215731470 201468787 /nfs/dbraw/zinc/46/87/87/201468787.db2.gz KHAFLBBKKPPWRW-UHFFFAOYSA-N 0 0 317.349 0.043 50 0 DCAARN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N[C@H]1C[C@@H]2OCC[C@H]12 ZINC000219660528 201562133 /nfs/dbraw/zinc/56/21/33/201562133.db2.gz BTNPRWXFQGDDGJ-AGIUHOORSA-N 0 0 317.324 0.773 50 0 DCAARN COCc1cccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NC(C)=O)n1 ZINC000219944541 201566407 /nfs/dbraw/zinc/56/64/07/201566407.db2.gz CCCXGAFVTAZRGR-FAAHXZRKSA-N 0 0 319.361 0.250 50 0 DCAARN COC(=O)c1ccc(/C=C\C(=O)N2CC[C@@H](NC(N)=O)C2)cc1 ZINC000222025588 201597966 /nfs/dbraw/zinc/59/79/66/201597966.db2.gz UGULUEZBUGPMFU-LLPBQKLSSA-N 0 0 317.345 0.756 50 0 DCAARN CCc1cc(N2CCN(C(=O)[C@H](O)CCSC)CC2)ncn1 ZINC000223409856 201645345 /nfs/dbraw/zinc/64/53/45/201645345.db2.gz KROZDFDVXKTDDB-CYBMUJFWSA-N 0 0 324.450 0.802 50 0 DCAARN Cc1noc([C@@H]2CCCN(C(=O)c3ccc(C(N)=O)nc3)C2)n1 ZINC000095956365 193458602 /nfs/dbraw/zinc/45/86/02/193458602.db2.gz IQOZUTGGRXJHIY-LLVKDONJSA-N 0 0 315.333 0.892 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1CCOc1ccccc1F ZINC000095966226 193463696 /nfs/dbraw/zinc/46/36/96/193463696.db2.gz FMOAIEHCLDXMIU-GFCCVEGCSA-N 0 0 310.325 0.568 50 0 DCAARN COc1cccc(CN2C(=S)N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000009303299 181612184 /nfs/dbraw/zinc/61/21/84/181612184.db2.gz UNZRSVYPDIXITB-NEPJUHHUSA-N 0 0 312.416 0.551 50 0 DCAARN Cc1n[nH]c(C)c1NC(=O)CN1C(=O)N[C@H](CC(C)C)C1=O ZINC000009862688 181644589 /nfs/dbraw/zinc/64/45/89/181644589.db2.gz JEZOZIIVVBFWTF-SNVBAGLBSA-N 0 0 307.354 0.932 50 0 DCAARN O=C(Cn1nnn(-c2cccs2)c1=O)N1CCCCCC1 ZINC000010811941 181678534 /nfs/dbraw/zinc/67/85/34/181678534.db2.gz MMHKOLAPZPEEES-UHFFFAOYSA-N 0 0 307.379 0.893 50 0 DCAARN O=c1cccnn1CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000011856376 181712087 /nfs/dbraw/zinc/71/20/87/181712087.db2.gz IEFTYCKGZIWZDF-UHFFFAOYSA-N 0 0 313.766 0.875 50 0 DCAARN CS(=O)(=O)NCCCN1CCO[C@@H](c2nccs2)C1 ZINC000097200025 193686567 /nfs/dbraw/zinc/68/65/67/193686567.db2.gz XVGZQTBMQJXMBP-SNVBAGLBSA-N 0 0 305.425 0.456 50 0 DCAARN C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ccco1 ZINC000016381270 182042836 /nfs/dbraw/zinc/04/28/36/182042836.db2.gz WNUVHCAPHDSJSJ-VXGBXAGGSA-N 0 0 314.407 0.745 50 0 DCAARN CCN1CCN(S(=O)(=O)c2csc(C(=O)NC)c2)CC1 ZINC000016649911 182056102 /nfs/dbraw/zinc/05/61/02/182056102.db2.gz BVYMHWMRSDZZFG-UHFFFAOYSA-N 0 0 317.436 0.434 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(F)cc1 ZINC000016960959 182066626 /nfs/dbraw/zinc/06/66/26/182066626.db2.gz YSLRBEROFXVVOX-GFCCVEGCSA-N 0 0 300.355 0.866 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cncn1-c1ccc(F)cc1 ZINC000017636904 182085079 /nfs/dbraw/zinc/08/50/79/182085079.db2.gz AGOQQWRVVDVTHR-LLVKDONJSA-N 0 0 323.349 0.928 50 0 DCAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NC[C@@H]1CCCO1 ZINC000017722679 182085180 /nfs/dbraw/zinc/08/51/80/182085180.db2.gz PFQZYPVEJLRBHM-RWMBFGLXSA-N 0 0 306.362 0.623 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cnn(Cc2ccccc2)c1 ZINC000017637748 182085201 /nfs/dbraw/zinc/08/52/01/182085201.db2.gz TWSQFVJDTFUZHO-AWEZNQCLSA-N 0 0 319.386 0.848 50 0 DCAARN O=CN1CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 ZINC000018116352 182093630 /nfs/dbraw/zinc/09/36/30/182093630.db2.gz KKKUZKJUVLLGCX-CYBMUJFWSA-N 0 0 321.764 0.746 50 0 DCAARN CCN(CC)C(=O)CN(C)S(=O)(=O)c1c(C)noc1C ZINC000018940904 182103226 /nfs/dbraw/zinc/10/32/26/182103226.db2.gz JWFGVMYONIDHOC-UHFFFAOYSA-N 0 0 303.384 0.780 50 0 DCAARN Cc1cn(CC(=O)Nc2cnn(C)n2)nc1-c1ccnn1C ZINC000019145029 182106223 /nfs/dbraw/zinc/10/62/23/182106223.db2.gz CTVPHSFBJVDZPK-UHFFFAOYSA-N 0 0 300.326 0.359 50 0 DCAARN CC1(C)C(=O)NCCN1C(=O)CCn1nnc2ccccc21 ZINC000019337293 182117136 /nfs/dbraw/zinc/11/71/36/182117136.db2.gz ZNSAZKAUSSZTOS-UHFFFAOYSA-N 0 0 301.350 0.558 50 0 DCAARN COc1ccccc1NC(=S)NC12CN3CN(CN(C3)C1)C2 ZINC000019323839 182115618 /nfs/dbraw/zinc/11/56/18/182115618.db2.gz XFMKOOBWYMYMTB-UHFFFAOYSA-N 0 0 319.434 0.540 50 0 DCAARN CC(C)[C@H](NC(=O)c1nn(C)c(=O)c2ccccc21)C(N)=O ZINC000019761623 182144356 /nfs/dbraw/zinc/14/43/56/182144356.db2.gz HUPQAZCOHKSROP-NSHDSACASA-N 0 0 302.334 0.173 50 0 DCAARN CCCc1ccc(OC[C@H](O)CN2CCN(CCO)CC2)cc1 ZINC000019771040 182145027 /nfs/dbraw/zinc/14/50/27/182145027.db2.gz XAHZYJGMXUKMTQ-QGZVFWFLSA-N 0 0 322.449 0.989 50 0 DCAARN COc1ccccc1NC(=O)C(=O)NCCN1CCOCC1 ZINC000019831307 182154793 /nfs/dbraw/zinc/15/47/93/182154793.db2.gz CDKVLNKLMIMQIW-UHFFFAOYSA-N 0 0 307.350 0.082 50 0 DCAARN CN1CCN(C(=O)CCc2nc(-c3ccccn3)no2)CC1 ZINC000019924890 182165206 /nfs/dbraw/zinc/16/52/06/182165206.db2.gz KPHBYPTZJIUQPU-UHFFFAOYSA-N 0 0 301.350 0.838 50 0 DCAARN CCn1c2ccc(S(=O)(=O)NCCOC)cc2oc1=O ZINC000019936719 182166947 /nfs/dbraw/zinc/16/69/47/182166947.db2.gz HVUQJFMJNYQRCH-UHFFFAOYSA-N 0 0 300.336 0.539 50 0 DCAARN CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000020245293 182200205 /nfs/dbraw/zinc/20/02/05/182200205.db2.gz DTOUZBFDIKCRSD-UHFFFAOYSA-N 0 0 317.386 0.965 50 0 DCAARN O=C(NCCCN1CCOCC1)[C@H]1COc2ccccc2O1 ZINC000020290082 182202927 /nfs/dbraw/zinc/20/29/27/182202927.db2.gz AFKPUDOAONZLNQ-OAHLLOKOSA-N 0 0 306.362 0.665 50 0 DCAARN CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000020457089 182219457 /nfs/dbraw/zinc/21/94/57/182219457.db2.gz NYEQSCCIXFGRQG-RYUDHWBXSA-N 0 0 305.444 0.810 50 0 DCAARN CCOC(=O)c1nc(COc2ccc(CC(N)=O)cc2)no1 ZINC000020738343 182245289 /nfs/dbraw/zinc/24/52/89/182245289.db2.gz IPIGNRZDYASDGD-UHFFFAOYSA-N 0 0 305.290 0.853 50 0 DCAARN Cc1cccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 ZINC000022090856 182308401 /nfs/dbraw/zinc/30/84/01/182308401.db2.gz PLUDNYGWQNDGBG-CVEARBPZSA-N 0 0 324.446 0.271 50 0 DCAARN COC(=O)[C@H]1Nc2cc(C(F)(F)F)ccc2S(=O)(=O)N1 ZINC000009319753 284458902 /nfs/dbraw/zinc/45/89/02/284458902.db2.gz OERJLZSWVVSBQP-QMMMGPOBSA-N 0 0 310.253 0.908 50 0 DCAARN O=C(c1cnccn1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000023315377 182356331 /nfs/dbraw/zinc/35/63/31/182356331.db2.gz AQIJUTUZVZCORB-GFCCVEGCSA-N 0 0 304.350 0.188 50 0 DCAARN CN1C2=C(C(=O)N(CCCO)C2)[C@H](c2ccccc2)NC1=O ZINC000023424425 182360520 /nfs/dbraw/zinc/36/05/20/182360520.db2.gz ZJGYQJNBJKIEOD-AWEZNQCLSA-N 0 0 301.346 0.861 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)OC(=O)CN2C(=O)CCC2=O)no1 ZINC000024080069 182374868 /nfs/dbraw/zinc/37/48/68/182374868.db2.gz ROTBIUVOSZJOBL-MRVPVSSYSA-N 0 0 309.278 0.002 50 0 DCAARN NC(=O)CN1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000024509778 182382331 /nfs/dbraw/zinc/38/23/31/182382331.db2.gz UQJOIODKIARNOL-UHFFFAOYSA-N 0 0 323.418 0.709 50 0 DCAARN Cn1c2ncn(C[C@@H](O)c3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000025225983 182404186 /nfs/dbraw/zinc/40/41/86/182404186.db2.gz YIALRRKPUIBZRN-LLVKDONJSA-N 0 0 318.308 0.306 50 0 DCAARN CCN(CC)S(=O)(=O)N1CCN(C(=O)NCC(C)C)CC1 ZINC000024940237 182395196 /nfs/dbraw/zinc/39/51/96/182395196.db2.gz JVQOBRJNEJFULJ-UHFFFAOYSA-N 0 0 320.459 0.556 50 0 DCAARN O=C(c1cnccn1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000025814681 182423504 /nfs/dbraw/zinc/42/35/04/182423504.db2.gz PNVGSMXRXFIANR-LLVKDONJSA-N 0 0 321.358 0.899 50 0 DCAARN NC(=O)C1CCN(C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000026520195 182444260 /nfs/dbraw/zinc/44/42/60/182444260.db2.gz NTKGTMWYETVYJH-LBPRGKRZSA-N 0 0 319.361 0.733 50 0 DCAARN COc1ccccc1CCNC(=O)NCCNS(C)(=O)=O ZINC000029324174 182560384 /nfs/dbraw/zinc/56/03/84/182560384.db2.gz GQXIIQIGEXJBKC-UHFFFAOYSA-N 0 0 315.395 0.086 50 0 DCAARN Cn1c2[nH]c(SCC(=O)C(C)(C)C)nc2c(=O)n(C)c1=O ZINC000100660030 193802504 /nfs/dbraw/zinc/80/25/04/193802504.db2.gz XEXCZGZKXMABPE-UHFFFAOYSA-N 0 0 310.379 0.668 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)c1ccn(-c2ccccc2)n1 ZINC000033013441 182688777 /nfs/dbraw/zinc/68/87/77/182688777.db2.gz UUUSJBIIJVIMEB-UHFFFAOYSA-N 0 0 322.390 0.541 50 0 DCAARN COc1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1 ZINC000032912478 182678174 /nfs/dbraw/zinc/67/81/74/182678174.db2.gz VATWDXNNZQSYIC-SKDRFNHKSA-N 0 0 311.359 0.854 50 0 DCAARN COC(=O)c1sccc1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000035163782 182758746 /nfs/dbraw/zinc/75/87/46/182758746.db2.gz NDYAXSOTGSIJQK-SSDOTTSWSA-N 0 0 303.361 0.908 50 0 DCAARN Cn1nnnc1SCC(=O)NCc1cc(-c2ccco2)on1 ZINC000038754431 183008593 /nfs/dbraw/zinc/00/85/93/183008593.db2.gz VXCHSTCGVMVDNU-UHFFFAOYSA-N 0 0 320.334 0.867 50 0 DCAARN C[C@H]1CN(S(=O)(=O)CCNC(=O)C(C)(C)C)C[C@H](C)O1 ZINC000040089305 183032970 /nfs/dbraw/zinc/03/29/70/183032970.db2.gz QEOSHZWXWOOYOS-QWRGUYRKSA-N 0 0 306.428 0.588 50 0 DCAARN CN(C)C(=O)C1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000040458994 183069644 /nfs/dbraw/zinc/06/96/44/183069644.db2.gz SRNBFKJIUXYIJN-UHFFFAOYSA-N 0 0 300.366 0.967 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)C2=Cc3ccccc3OC2)CC1 ZINC000040480866 183076935 /nfs/dbraw/zinc/07/69/35/183076935.db2.gz RZIAHOWQHAOIMC-UHFFFAOYSA-N 0 0 322.386 0.566 50 0 DCAARN COc1cccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1 ZINC000040497257 183082041 /nfs/dbraw/zinc/08/20/41/183082041.db2.gz ONCSIIIEEYBBDA-UHFFFAOYSA-N 0 0 312.391 0.849 50 0 DCAARN Cc1cc(=O)n2ncnc2n1C[C@@H](O)COc1ccccc1 ZINC000040498015 183082574 /nfs/dbraw/zinc/08/25/74/183082574.db2.gz VWENJBNMBQLGMZ-GFCCVEGCSA-N 0 0 300.318 0.639 50 0 DCAARN C[C@@H](CNC(=O)CN1CCSC1=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000040512353 183087554 /nfs/dbraw/zinc/08/75/54/183087554.db2.gz XESXOAPBEKMULF-QJPTWQEYSA-N 0 0 315.439 0.769 50 0 DCAARN CN1CC(=O)N(CC(=O)NCCOc2cccc(F)c2)C1=O ZINC000040516445 183089132 /nfs/dbraw/zinc/08/91/32/183089132.db2.gz NBMYEIDJZIVDGY-UHFFFAOYSA-N 0 0 309.297 0.215 50 0 DCAARN COc1cc(C(=O)N[C@H]2CCCCNC2=O)cc2c1OCCO2 ZINC000040521585 183090882 /nfs/dbraw/zinc/09/08/82/183090882.db2.gz PAWVZHAGRXGLRX-NSHDSACASA-N 0 0 320.345 0.865 50 0 DCAARN NC(=O)c1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1 ZINC000040525013 183091266 /nfs/dbraw/zinc/09/12/66/183091266.db2.gz CCOLFBWNDRIKGL-LLVKDONJSA-N 0 0 324.402 0.975 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)COCC(F)(F)F)C1 ZINC000040534092 183094570 /nfs/dbraw/zinc/09/45/70/183094570.db2.gz QSHIWWFBNJEAFD-MRVPVSSYSA-N 0 0 318.317 0.106 50 0 DCAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)[C@H](C)NC(C)=O)cc1 ZINC000040456753 183069404 /nfs/dbraw/zinc/06/94/04/183069404.db2.gz BDPSMDWITVPGRC-WDEREUQCSA-N 0 0 322.361 0.768 50 0 DCAARN O=C(CS(=O)(=O)c1ccccc1)N[C@@H]1CCCCNC1=O ZINC000040539966 183097315 /nfs/dbraw/zinc/09/73/15/183097315.db2.gz UGVAEZGNBCMYEN-GFCCVEGCSA-N 0 0 310.375 0.245 50 0 DCAARN CC(C)c1noc([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 ZINC000040714773 183122342 /nfs/dbraw/zinc/12/23/42/183122342.db2.gz HDGVBBSBBHPWSV-SNVBAGLBSA-N 0 0 305.342 0.586 50 0 DCAARN COc1ccc(CC(=O)N2CCN(CCC(N)=O)CC2)cc1 ZINC000041532957 183199084 /nfs/dbraw/zinc/19/90/84/183199084.db2.gz WUELUGGPZKMMKU-UHFFFAOYSA-N 0 0 305.378 0.257 50 0 DCAARN Cn1nc(CC(=O)NC[C@H]2CCOC2)c2ccccc2c1=O ZINC000041373582 183187114 /nfs/dbraw/zinc/18/71/14/183187114.db2.gz PLHJNFXIOFGQKV-LLVKDONJSA-N 0 0 301.346 0.629 50 0 DCAARN CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cccnc1 ZINC000041689832 183217741 /nfs/dbraw/zinc/21/77/41/183217741.db2.gz JIYRNQUPHIOOSC-UHFFFAOYSA-N 0 0 311.285 0.381 50 0 DCAARN CO[C@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)c1ccccc1 ZINC000042750970 183305588 /nfs/dbraw/zinc/30/55/88/183305588.db2.gz RFOZSVONHOPHQI-NWDGAFQWSA-N 0 0 305.334 0.479 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)NCCn2ccnc2)c1 ZINC000042720910 183301686 /nfs/dbraw/zinc/30/16/86/183301686.db2.gz MKGNPTJPAKZMFV-UHFFFAOYSA-N 0 0 308.363 0.221 50 0 DCAARN Cc1noc(C)c1CN(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000042870741 183316098 /nfs/dbraw/zinc/31/60/98/183316098.db2.gz IOJFBTZOSCETCX-SNVBAGLBSA-N 0 0 301.368 0.620 50 0 DCAARN Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCC(C(N)=O)CC1 ZINC000042948885 183320440 /nfs/dbraw/zinc/32/04/40/183320440.db2.gz DFBUVNAROPCJOA-LBPRGKRZSA-N 0 0 305.382 0.704 50 0 DCAARN CC(C)OCCCNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000043062285 183333354 /nfs/dbraw/zinc/33/33/54/183333354.db2.gz CAEPBYWPFWXCML-LBPRGKRZSA-N 0 0 321.443 0.525 50 0 DCAARN COc1ccc(CNC(=O)[C@H](C)N2CCN(CCO)CC2)cc1 ZINC000043305554 183353422 /nfs/dbraw/zinc/35/34/22/183353422.db2.gz YHXBWKQEFMLJDN-AWEZNQCLSA-N 0 0 321.421 0.310 50 0 DCAARN NC(=O)CN1CCC(NC(=O)CSCc2ccccc2)CC1 ZINC000044067231 183393682 /nfs/dbraw/zinc/39/36/82/183393682.db2.gz WDGZOGVCSRGGPC-UHFFFAOYSA-N 0 0 321.446 0.986 50 0 DCAARN COCCNC(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000044226938 183399221 /nfs/dbraw/zinc/39/92/21/183399221.db2.gz ZYNKFDZGDKDGPM-UHFFFAOYSA-N 0 0 311.304 0.733 50 0 DCAARN Cn1ccc(C(=O)NCc2cccnc2-n2cccn2)cc1=O ZINC000044918783 183457657 /nfs/dbraw/zinc/45/76/57/183457657.db2.gz YGBOBJYVRAARQI-UHFFFAOYSA-N 0 0 309.329 0.896 50 0 DCAARN CC(=O)N[C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C1CCCC1 ZINC000044934939 183460445 /nfs/dbraw/zinc/46/04/45/183460445.db2.gz YLZRBFOPTSLQAO-OAHLLOKOSA-N 0 0 319.409 0.878 50 0 DCAARN Cc1noc(CS(=O)(=O)CC(=O)N2CCC[C@H](C)C2)n1 ZINC000044938334 183462547 /nfs/dbraw/zinc/46/25/47/183462547.db2.gz MSRCZWFVHDOYED-VIFPVBQESA-N 0 0 301.368 0.551 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)C[C@@H]2CCCO2)no1 ZINC000045359829 183501152 /nfs/dbraw/zinc/50/11/52/183501152.db2.gz DHZKRHSKGCWLSA-ZJUUUORDSA-N 0 0 302.352 0.904 50 0 DCAARN Cc1noc(CCCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1 ZINC000046752938 183567670 /nfs/dbraw/zinc/56/76/70/183567670.db2.gz QGRCPMAQVDPUPZ-JTQLQIEISA-N 0 0 301.368 0.346 50 0 DCAARN O=C(Cn1cnnn1)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000048252833 183631980 /nfs/dbraw/zinc/63/19/80/183631980.db2.gz JTCVHWIGJCQOOO-ZDUSSCGKSA-N 0 0 314.349 0.153 50 0 DCAARN C[C@@H](Nc1cccc(CN2CCOC2=O)c1)C(=O)NC(N)=O ZINC000056160933 184006116 /nfs/dbraw/zinc/00/61/16/184006116.db2.gz MNHXIWUXQDZCQY-SECBINFHSA-N 0 0 306.322 0.634 50 0 DCAARN Cc1c(C(=O)N2CC[C@@H](C(N)=O)C2)nnn1-c1cccc(C)c1 ZINC000056877262 184020866 /nfs/dbraw/zinc/02/08/66/184020866.db2.gz UTGCVTJIZQBNFO-GFCCVEGCSA-N 0 0 313.361 0.832 50 0 DCAARN CC(=O)N1CCN(C(=O)[C@H](C)Nc2ccc3c(c2)OCO3)CC1 ZINC000057923280 184062261 /nfs/dbraw/zinc/06/22/61/184062261.db2.gz GSZXNVAXZXUZAU-NSHDSACASA-N 0 0 319.361 0.906 50 0 DCAARN C[C@H](OC[C@@H]1CCCCO1)C(=O)NCCNc1cnccn1 ZINC000058017704 184067786 /nfs/dbraw/zinc/06/77/86/184067786.db2.gz GRPDUDICCSAHHE-STQMWFEESA-N 0 0 308.382 0.979 50 0 DCAARN C[C@H]1Cc2ccccc2N1C(=O)CN[C@H]1C=CS(=O)(=O)C1 ZINC000058163975 184083433 /nfs/dbraw/zinc/08/34/33/184083433.db2.gz SZUWOVFFWVTLJS-AAEUAGOBSA-N 0 0 306.387 0.865 50 0 DCAARN CC(C)CC(=O)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC000058230840 184091958 /nfs/dbraw/zinc/09/19/58/184091958.db2.gz WYMBAXQASNCBCJ-UHFFFAOYSA-N 0 0 318.333 0.730 50 0 DCAARN NC(=O)[C@@H]1CCCN1Cc1nc(N)nc(Nc2ccccc2)n1 ZINC000058138696 184080002 /nfs/dbraw/zinc/08/00/02/184080002.db2.gz ANELNAQSIPZJDB-NSHDSACASA-N 0 0 313.365 0.647 50 0 DCAARN Cn1nc(C(=O)Nc2ncn(Cc3ccccc3)n2)ccc1=O ZINC000058370202 184109716 /nfs/dbraw/zinc/10/97/16/184109716.db2.gz FOPKRVLCGKIETN-UHFFFAOYSA-N 0 0 310.317 0.672 50 0 DCAARN COc1cc(C(=O)OCC(F)F)cc(OC)c1OCC(N)=O ZINC000058265324 184095664 /nfs/dbraw/zinc/09/56/64/184095664.db2.gz XUGNOEJUJNWWQK-UHFFFAOYSA-N 0 0 319.260 0.990 50 0 DCAARN Cc1ccc(OCCCNS(=O)(=O)N2CCOCC2)cc1 ZINC000058268525 184097758 /nfs/dbraw/zinc/09/77/58/184097758.db2.gz STNOHHSIWXUIKS-UHFFFAOYSA-N 0 0 314.407 0.931 50 0 DCAARN O=C(CN1C(=O)c2ccccc2CS1(=O)=O)N1CCCC1 ZINC000058292992 184101323 /nfs/dbraw/zinc/10/13/23/184101323.db2.gz DXYAAFHVFAHTHL-UHFFFAOYSA-N 0 0 308.359 0.595 50 0 DCAARN COC(=O)Cc1nnn(Cc2nc(Cc3ccccc3)no2)n1 ZINC000058304642 184103039 /nfs/dbraw/zinc/10/30/39/184103039.db2.gz LLBXUGVQFIVCTF-UHFFFAOYSA-N 0 0 314.305 0.411 50 0 DCAARN C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](C)C(=O)N1CCCC1 ZINC000058311248 184104065 /nfs/dbraw/zinc/10/40/65/184104065.db2.gz XMUOSFFOIQUWFL-GHMZBOCLSA-N 0 0 323.418 0.994 50 0 DCAARN CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccccc1 ZINC000058312800 184104255 /nfs/dbraw/zinc/10/42/55/184104255.db2.gz AXCKOQOGEQFUCO-GFCCVEGCSA-N 0 0 303.405 0.635 50 0 DCAARN COC(=O)C[C@H](NC(=O)Cn1cnnn1)c1ccc(F)cc1 ZINC000059959561 184143354 /nfs/dbraw/zinc/14/33/54/184143354.db2.gz GIAHVLAVOGGDQV-NSHDSACASA-N 0 0 307.285 0.233 50 0 DCAARN NC(=O)c1nsc2c1ncn(CC(=O)NC1CCCC1)c2=O ZINC000065214014 184314807 /nfs/dbraw/zinc/31/48/07/184314807.db2.gz HAYXZDYOGCGHIW-UHFFFAOYSA-N 0 0 321.362 0.011 50 0 DCAARN COCCCNC(=O)COc1ccc(NC(=O)C2CC2)cn1 ZINC000065245702 184317869 /nfs/dbraw/zinc/31/78/69/184317869.db2.gz QSWFROWGYVSEOJ-UHFFFAOYSA-N 0 0 307.350 0.962 50 0 DCAARN O=C(NC[C@H](O)COC1CCCCC1)c1cc2n(n1)CCNC2 ZINC000065382839 184332321 /nfs/dbraw/zinc/33/23/21/184332321.db2.gz XVKFYKAJMDQINM-ZDUSSCGKSA-N 0 0 322.409 0.426 50 0 DCAARN NC(=O)CN1CC=C(CCNC(=O)Cc2ccc(F)cc2)CC1 ZINC000065382754 184332364 /nfs/dbraw/zinc/33/23/64/184332364.db2.gz PPGKPVFWHCALOH-UHFFFAOYSA-N 0 0 319.380 0.992 50 0 DCAARN CN(Cc1nc(C2=CCCN(C)C2)no1)S(=O)(=O)C1CC1 ZINC000065410589 184340005 /nfs/dbraw/zinc/34/00/05/184340005.db2.gz FPEJWOMDNOKIKH-UHFFFAOYSA-N 0 0 312.395 0.713 50 0 DCAARN NC(=O)Cn1cc(NC(=O)NC[C@@H](O)c2ccc(F)cc2)cn1 ZINC000065422800 184342075 /nfs/dbraw/zinc/34/20/75/184342075.db2.gz DGRGQZXAILWPBK-GFCCVEGCSA-N 0 0 321.312 0.363 50 0 DCAARN C[C@@H]1CN(CCNC(=O)NCc2nnc3n2CCC3)C[C@@H](C)O1 ZINC000065440787 184345230 /nfs/dbraw/zinc/34/52/30/184345230.db2.gz YOZDIRKLROSUCH-VXGBXAGGSA-N 0 0 322.413 0.133 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)NC2CCC(O)CC2)CC1 ZINC000065444382 184346355 /nfs/dbraw/zinc/34/63/55/184346355.db2.gz ZVPCKKLQLFZUKQ-UHFFFAOYSA-N 0 0 319.427 0.013 50 0 DCAARN Cc1nnc2n1C[C@H](NC(=O)Cn1nnc3ccccc31)CC2 ZINC000065462550 184348920 /nfs/dbraw/zinc/34/89/20/184348920.db2.gz ZGZZBVSNXMHGED-LLVKDONJSA-N 0 0 311.349 0.462 50 0 DCAARN COc1cc(C(=O)NCCCn2cncn2)cc2c1OCCO2 ZINC000065402586 184337281 /nfs/dbraw/zinc/33/72/81/184337281.db2.gz CMLXQMIKAFSTRF-UHFFFAOYSA-N 0 0 318.333 0.878 50 0 DCAARN O=C(c1ccc2occc2c1)N1CCN2C(=O)CNC(=O)[C@@H]2C1 ZINC000065405118 184337653 /nfs/dbraw/zinc/33/76/53/184337653.db2.gz LPIPFUYLDGJWDN-LBPRGKRZSA-N 0 0 313.313 0.216 50 0 DCAARN Cc1cc(CN2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)no1 ZINC000065552735 184364705 /nfs/dbraw/zinc/36/47/05/184364705.db2.gz UZCUFEUFXGASNI-UHFFFAOYSA-N 0 0 316.361 0.938 50 0 DCAARN Cn1cnnc1[C@@H]1CCCN(C(=O)N[C@@H]2CCCCNC2=O)C1 ZINC000065553420 184365631 /nfs/dbraw/zinc/36/56/31/184365631.db2.gz TYMNPMWQANAOCB-VXGBXAGGSA-N 0 0 320.397 0.373 50 0 DCAARN NC(=O)c1cccc(CCNC(=O)NC2CCC(O)CC2)c1 ZINC000065564921 184366422 /nfs/dbraw/zinc/36/64/22/184366422.db2.gz YJIDHPSXESGDOD-UHFFFAOYSA-N 0 0 305.378 0.931 50 0 DCAARN O=C1NC2(Cc3ccccc3C2)C(=O)N1Cc1nnnn1C1CC1 ZINC000065577212 184368462 /nfs/dbraw/zinc/36/84/62/184368462.db2.gz WQJXHJNPPIRBQR-UHFFFAOYSA-N 0 0 324.344 0.597 50 0 DCAARN O=C(CN1CCN(c2nccs2)CC1)NC1CCOCC1 ZINC000065609693 184372579 /nfs/dbraw/zinc/37/25/79/184372579.db2.gz NLMPFPUYYCUJAJ-UHFFFAOYSA-N 0 0 310.423 0.560 50 0 DCAARN COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cnn(C)c1 ZINC000065498857 184355666 /nfs/dbraw/zinc/35/56/66/184355666.db2.gz RYFLIKFFSPJQFP-ZDUSSCGKSA-N 0 0 323.374 0.483 50 0 DCAARN CC[C@@H](C(=O)NC1CCCCC1)N1CCS(=O)(=O)CC1 ZINC000065506128 184356694 /nfs/dbraw/zinc/35/66/94/184356694.db2.gz SXDDCMPRWOUHFD-ZDUSSCGKSA-N 0 0 302.440 0.944 50 0 DCAARN O=C(Cn1nnc(-c2ccco2)n1)N[C@@H]1CCc2nccn2C1 ZINC000065516226 184357921 /nfs/dbraw/zinc/35/79/21/184357921.db2.gz RILYZPUHWBQCLQ-SNVBAGLBSA-N 0 0 313.321 0.261 50 0 DCAARN CN1CCN(C(=O)CN2C(=O)CNC2=O)[C@H](c2ccccc2)C1 ZINC000065518195 184358369 /nfs/dbraw/zinc/35/83/69/184358369.db2.gz ROHQKIMXDCUELY-ZDUSSCGKSA-N 0 0 316.361 0.054 50 0 DCAARN CCOC(=O)[C@H]1C(=O)NC[C@@H]1c1cc2c(c(OC)c1)OCO2 ZINC000066091584 184388777 /nfs/dbraw/zinc/38/87/77/184388777.db2.gz QTMQEUMTOMGEOS-BXKDBHETSA-N 0 0 307.302 0.817 50 0 DCAARN CCOc1ncccc1CNC(=O)N[C@H]1CCCCNC1=O ZINC000069483987 184518221 /nfs/dbraw/zinc/51/82/21/184518221.db2.gz DFMWIXNDXLJPCU-LBPRGKRZSA-N 0 0 306.366 0.948 50 0 DCAARN Cc1nnc2n1CCN(CC(=O)N1CCO[C@H]3CCCC[C@@H]31)C2 ZINC000069487179 184518857 /nfs/dbraw/zinc/51/88/57/184518857.db2.gz QOWAAWQRSYOOGK-KBPBESRZSA-N 0 0 319.409 0.572 50 0 DCAARN COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2c[nH]cc(C)c2=O)C1 ZINC000334103827 252792448 /nfs/dbraw/zinc/79/24/48/252792448.db2.gz PIUMGEFVIHIRII-OLZOCXBDSA-N 0 0 324.377 0.169 50 0 DCAARN CSc1ncccc1C(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC000299767164 533083721 /nfs/dbraw/zinc/08/37/21/533083721.db2.gz GMOJTMSNIBNMOW-VIFPVBQESA-N 0 0 315.420 0.554 50 0 DCAARN CC1=C(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)CCCO1 ZINC000156236662 197097951 /nfs/dbraw/zinc/09/79/51/197097951.db2.gz FJERWHOVUCDQNI-WCQYABFASA-N 0 0 316.423 0.905 50 0 DCAARN CC[C@@H](NC(=O)Cn1ncc(N(C)C)cc1=O)c1ccnn1C ZINC000020137622 257103113 /nfs/dbraw/zinc/10/31/13/257103113.db2.gz WIMOMLQSXMQBNR-GFCCVEGCSA-N 0 0 318.381 0.310 50 0 DCAARN Cc1cc(=O)c(OCC(=O)NCCc2ccccn2)cn1C ZINC000524733593 257214132 /nfs/dbraw/zinc/21/41/32/257214132.db2.gz XGANYDHIARIULW-UHFFFAOYSA-N 0 0 301.346 0.826 50 0 DCAARN CCCNC(=O)CN1C(=O)N(C)c2ccccc2S1(=O)=O ZINC000521396176 257241222 /nfs/dbraw/zinc/24/12/22/257241222.db2.gz NGFWLFANNMPCDV-UHFFFAOYSA-N 0 0 311.363 0.773 50 0 DCAARN CCC(=O)NCc1cc2n(n1)CCN(Cc1nc(C)no1)C2 ZINC000426711989 257243518 /nfs/dbraw/zinc/24/35/18/257243518.db2.gz FNEMDUMJHZBDHU-UHFFFAOYSA-N 0 0 304.354 0.617 50 0 DCAARN CCO[C@@H](CC)CNC(=O)c1cnc2c(O)cccn2c1=O ZINC000426582912 257245849 /nfs/dbraw/zinc/24/58/49/257245849.db2.gz WEKXJIWJDCXQRJ-JTQLQIEISA-N 0 0 305.334 0.945 50 0 DCAARN OCCNc1nc(NCC(F)(F)F)cc([C@@H]2CCOC2)n1 ZINC000426546266 257247175 /nfs/dbraw/zinc/24/71/75/257247175.db2.gz VZBCHUSOISHDIW-MRVPVSSYSA-N 0 0 306.288 0.203 50 0 DCAARN C[C@@H](C(=O)NCCc1cn[nH]n1)n1c(=O)oc2ccccc21 ZINC000426523747 257247714 /nfs/dbraw/zinc/24/77/14/257247714.db2.gz WVKWAYRMIAOJFK-VIFPVBQESA-N 0 0 301.306 0.633 50 0 DCAARN CSCC(=O)N1CCn2nc(CNc3ncccn3)cc2C1 ZINC000426503482 257248170 /nfs/dbraw/zinc/24/81/70/257248170.db2.gz JHHBCDZAYPTKMM-UHFFFAOYSA-N 0 0 318.406 0.990 50 0 DCAARN Cc1ccn2c(nnc2C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)n1 ZINC000426439109 257250200 /nfs/dbraw/zinc/25/02/00/257250200.db2.gz YYWFXXCDLMDZPG-QWHCGFSZSA-N 0 0 309.329 0.821 50 0 DCAARN COc1ccc(OC)c(-n2nnnc2S[C@@H](C)C(N)=O)c1 ZINC000058306572 257270104 /nfs/dbraw/zinc/27/01/04/257270104.db2.gz GKKGFAVDFWJUNX-ZETCQYMHSA-N 0 0 309.351 0.645 50 0 DCAARN COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC000069670021 184835269 /nfs/dbraw/zinc/83/52/69/184835269.db2.gz ONYJDPLSVYUVPW-GFCCVEGCSA-N 0 0 305.334 0.972 50 0 DCAARN C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCn2c(nnc2C2CC2)C1 ZINC000071880912 184884831 /nfs/dbraw/zinc/88/48/31/184884831.db2.gz JXIGXFOXDHWMJS-WCQYABFASA-N 0 0 319.409 0.655 50 0 DCAARN COC(=O)CCN(C)S(=O)(=O)c1ccc(C(=O)OC)o1 ZINC000071886590 184888749 /nfs/dbraw/zinc/88/87/49/184888749.db2.gz ZMWBVESIMLDYIC-UHFFFAOYSA-N 0 0 305.308 0.250 50 0 DCAARN COC(=O)CN1CCC[C@H](CNC(=O)c2nc(C)oc2C)C1 ZINC000408521232 533509305 /nfs/dbraw/zinc/50/93/05/533509305.db2.gz MSTDHVFMDQBFPL-GFCCVEGCSA-N 0 0 309.366 0.906 50 0 DCAARN CCOC(=O)c1noc2ncnc(N3CCC(C(N)=O)CC3)c12 ZINC000020992186 134650566 /nfs/dbraw/zinc/65/05/66/134650566.db2.gz YHHTUTLDOPCIGR-UHFFFAOYSA-N 0 0 319.321 0.496 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)CN2c3ccccc3SCC2=O)C1 ZINC000041128208 134723681 /nfs/dbraw/zinc/72/36/81/134723681.db2.gz XIIAUVJFJWYUFY-JTQLQIEISA-N 0 0 319.386 0.459 50 0 DCAARN Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)c(C)n1 ZINC000056400478 292050761 /nfs/dbraw/zinc/05/07/61/292050761.db2.gz OWAKHPNEROOKRD-UHFFFAOYSA-N 0 0 302.334 0.513 50 0 DCAARN COC[C@H](C)NS(=O)(=O)c1cc(NC(C)=O)ccc1OC ZINC000008262396 395684277 /nfs/dbraw/zinc/68/42/77/395684277.db2.gz YFDGSNKZIHSRDC-VIFPVBQESA-N 0 0 316.379 0.967 50 0 DCAARN CCOC(=O)NC(=O)COC(=O)CNC(=O)c1cccc(C)c1 ZINC000008233394 395684283 /nfs/dbraw/zinc/68/42/83/395684283.db2.gz CNOUBOJPJVIZHR-UHFFFAOYSA-N 0 0 322.317 0.541 50 0 DCAARN Cc1cccc(OC[C@H](O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000008326795 395684407 /nfs/dbraw/zinc/68/44/07/395684407.db2.gz ACTKNOLLKBLYSD-ZIAGYGMSSA-N 0 0 313.419 0.854 50 0 DCAARN CC[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1 ZINC000008403483 395684530 /nfs/dbraw/zinc/68/45/30/395684530.db2.gz RINCKUWQVXFHBL-GFCCVEGCSA-N 0 0 301.346 0.847 50 0 DCAARN CN1C(=O)N[C@](NC(=O)c2cccnc2)(C(F)(F)F)C1=O ZINC000009419698 395685266 /nfs/dbraw/zinc/68/52/66/395685266.db2.gz SPTSORXTUBPCSI-JTQLQIEISA-N 0 0 302.212 0.456 50 0 DCAARN COCCN1CC2=C(C1=O)[C@@H](c1ccc(F)cc1)NC(=O)N2 ZINC000009317256 395685330 /nfs/dbraw/zinc/68/53/30/395685330.db2.gz KQAXWUNCQDBLBT-CYBMUJFWSA-N 0 0 305.309 0.922 50 0 DCAARN Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1ccco1 ZINC000009314061 395685360 /nfs/dbraw/zinc/68/53/60/395685360.db2.gz HKKSTDOPGAXPIQ-UHFFFAOYSA-N 0 0 300.322 0.775 50 0 DCAARN O=C(NCc1ccccn1)c1c(O)nc2sccn2c1=O ZINC000009716703 395685508 /nfs/dbraw/zinc/68/55/08/395685508.db2.gz DJXPUMIKBGWRSJ-UHFFFAOYSA-N 0 0 302.315 0.787 50 0 DCAARN O=C(CSc1ccnc(=O)[nH]1)NCc1ccc2c(c1)OCO2 ZINC000009915613 395685830 /nfs/dbraw/zinc/68/58/30/395685830.db2.gz USQLGOSPTURRAF-UHFFFAOYSA-N 0 0 319.342 0.907 50 0 DCAARN NC(=O)CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCCC2 ZINC000010255440 395685962 /nfs/dbraw/zinc/68/59/62/395685962.db2.gz LYSYLAYUTYYLAJ-SNVBAGLBSA-N 0 0 323.418 0.879 50 0 DCAARN CCOC(=O)CSc1c(C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000010216465 395685989 /nfs/dbraw/zinc/68/59/89/395685989.db2.gz BVMHRSWGCUKLKZ-UHFFFAOYSA-N 0 0 323.374 0.596 50 0 DCAARN CCN(CCOC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010431808 395686109 /nfs/dbraw/zinc/68/61/09/395686109.db2.gz KSARYSBEZNIQGE-UHFFFAOYSA-N 0 0 318.377 0.640 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)CCc2ccco2)CC1 ZINC000010667419 395686234 /nfs/dbraw/zinc/68/62/34/395686234.db2.gz JPBKXZODESFVSO-UHFFFAOYSA-N 0 0 300.380 0.752 50 0 DCAARN Cc1nn(C)c(C)c1CC(=O)Nc1nc(CC(N)=O)cs1 ZINC000010999809 395686252 /nfs/dbraw/zinc/68/62/52/395686252.db2.gz UBDWYZPHCMIJNJ-UHFFFAOYSA-N 0 0 307.379 0.702 50 0 DCAARN NC(=O)c1ccsc1NC(=O)COC(=O)C1=COCCO1 ZINC000011444827 395686579 /nfs/dbraw/zinc/68/65/79/395686579.db2.gz NTPGWUPZLUETBB-UHFFFAOYSA-N 0 0 312.303 0.217 50 0 DCAARN Cc1cc(S(=O)(=O)NCCn2ncccc2=O)ccc1F ZINC000011856395 395686949 /nfs/dbraw/zinc/68/69/49/395686949.db2.gz FVBXWAGLVXQMGQ-UHFFFAOYSA-N 0 0 311.338 0.669 50 0 DCAARN Cc1cnccc1CNC(=O)Cn1nnnc1CN(C)C(C)C ZINC000012320183 395687440 /nfs/dbraw/zinc/68/74/40/395687440.db2.gz XLKWZDJPVMMLDA-UHFFFAOYSA-N 0 0 317.397 0.533 50 0 DCAARN CCNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000012342490 395687475 /nfs/dbraw/zinc/68/74/75/395687475.db2.gz HDJWASWYGRDTBE-UHFFFAOYSA-N 0 0 301.346 0.987 50 0 DCAARN C[C@@H](C(N)=O)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000012380303 395687660 /nfs/dbraw/zinc/68/76/60/395687660.db2.gz DDFGDBOOAVOZOR-QMMMGPOBSA-N 0 0 300.336 0.098 50 0 DCAARN Nc1ccccc1C1=NC(=O)[C@@]2(CC(c3ccccc3)=NN2)NN1 ZINC000012528116 395687698 /nfs/dbraw/zinc/68/76/98/395687698.db2.gz CSWLGVDYAMAPIU-QGZVFWFLSA-N 0 0 320.356 0.744 50 0 DCAARN Cc1ccccc1Cn1c(NN)nc2c1c(=O)[nH]c(=O)n2C ZINC000012558792 395687918 /nfs/dbraw/zinc/68/79/18/395687918.db2.gz VPLFWPYTVLFGQX-UHFFFAOYSA-N 0 0 300.322 0.066 50 0 DCAARN Cc1ccn(CC(=O)N[C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000012570448 395687949 /nfs/dbraw/zinc/68/79/49/395687949.db2.gz ITWNJSVJYCDPSH-CYBMUJFWSA-N 0 0 300.366 0.767 50 0 DCAARN NC(=O)CSc1ccccc1NCC(=O)N1CCNC1=O ZINC000012634536 395687952 /nfs/dbraw/zinc/68/79/52/395687952.db2.gz LXGKWBNRRICGDH-UHFFFAOYSA-N 0 0 308.363 0.228 50 0 DCAARN CC[C@]1(C)NC(=O)N(NC(=O)Cc2ccccc2OC)C1=O ZINC000012760028 395688054 /nfs/dbraw/zinc/68/80/54/395688054.db2.gz JPCRAMIAUSPFNJ-HNNXBMFYSA-N 0 0 305.334 0.989 50 0 DCAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCCCO ZINC000012901375 395688094 /nfs/dbraw/zinc/68/80/94/395688094.db2.gz YRAZWOSFCGRMEE-UHFFFAOYSA-N 0 0 317.345 0.220 50 0 biogenic DCAARN COC(=O)C[C@@H]1C(=O)NCCN1c1ncnc2ccsc21 ZINC000012908613 395688141 /nfs/dbraw/zinc/68/81/41/395688141.db2.gz ZZBMKOOTALAOQP-SECBINFHSA-N 0 0 306.347 0.559 50 0 DCAARN COc1cccc(C(=O)NCCC(=O)N2CCN(C)CC2)c1 ZINC000012866036 395688181 /nfs/dbraw/zinc/68/81/81/395688181.db2.gz AYKWRRMVPHGQKD-UHFFFAOYSA-N 0 0 305.378 0.589 50 0 DCAARN CC1(C)O[C@@H]2[C@H](O1)[C@H](CO)O[C@H]2n1cnc2c1nc[nH]c2=S ZINC000013152614 395688495 /nfs/dbraw/zinc/68/84/95/395688495.db2.gz HXZCOKXEDYVENB-YLJFRXORSA-N 0 0 324.362 0.525 50 0 DCAARN NC(=O)[C@H]1CCCN(C(=S)NCc2ccc3c(c2)OCO3)C1 ZINC000013685126 395688751 /nfs/dbraw/zinc/68/87/51/395688751.db2.gz IOAVDEHWJRUWNX-NSHDSACASA-N 0 0 321.402 0.987 50 0 DCAARN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CCC(N)=O)C1=O ZINC000015246846 395689937 /nfs/dbraw/zinc/68/99/37/395689937.db2.gz PVYNYQJTHWHAEX-HNNXBMFYSA-N 0 0 305.334 0.728 50 0 DCAARN CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1c(C)noc1C ZINC000024686405 395693019 /nfs/dbraw/zinc/69/30/19/395693019.db2.gz PDTBZEGCFHQHQB-SNVBAGLBSA-N 0 0 301.368 0.581 50 0 DCAARN CCOC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000000180697 395679951 /nfs/dbraw/zinc/67/99/51/395679951.db2.gz HYDVAPHMLCRQFE-LURJTMIESA-N 0 0 312.351 0.004 50 0 DCAARN Cc1cc(C)nc(SCC(=O)N2CCC(C(N)=O)CC2)n1 ZINC000000203294 395680070 /nfs/dbraw/zinc/68/00/70/395680070.db2.gz QVYGWPZCXIWWDM-UHFFFAOYSA-N 0 0 308.407 0.909 50 0 DCAARN COc1ccc(CCNC(=O)N2C(=O)C=CC2=O)cc1OC ZINC000000284767 395680236 /nfs/dbraw/zinc/68/02/36/395680236.db2.gz LETVQUNBUAJQTE-UHFFFAOYSA-N 0 0 304.302 0.881 50 0 DCAARN COC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000000380026 395680310 /nfs/dbraw/zinc/68/03/10/395680310.db2.gz GTGXYYGFLCFQBT-UHFFFAOYSA-N 0 0 303.336 0.643 50 0 DCAARN CCOC(=O)CSc1nnc(CNC(=O)c2ccco2)n1C ZINC000000426940 395680479 /nfs/dbraw/zinc/68/04/79/395680479.db2.gz CBMCWKUDTUWENZ-UHFFFAOYSA-N 0 0 324.362 0.993 50 0 DCAARN CCC(=O)Oc1ccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 ZINC000000619096 395680548 /nfs/dbraw/zinc/68/05/48/395680548.db2.gz HJBPSWGVVZFORD-UHFFFAOYSA-N 0 0 303.274 0.631 50 0 DCAARN C[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000001019707 395680689 /nfs/dbraw/zinc/68/06/89/395680689.db2.gz KCLVXHCFONOWPE-VHSXEESVSA-N 0 0 301.339 0.896 50 0 DCAARN CCN1CCN(C(=O)CCC(=O)Nc2nnc(C)s2)CC1 ZINC000001294248 395680815 /nfs/dbraw/zinc/68/08/15/395680815.db2.gz LRVIIZPRLFOART-UHFFFAOYSA-N 0 0 311.411 0.729 50 0 DCAARN Cn1cnnc1SCC(=O)Nc1nonc1-n1cccc1 ZINC000001423192 395680841 /nfs/dbraw/zinc/68/08/41/395680841.db2.gz KXDYPXFYFQZGRK-UHFFFAOYSA-N 0 0 305.323 0.720 50 0 DCAARN O=C(N1CCOCC1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002123321 395681340 /nfs/dbraw/zinc/68/13/40/395681340.db2.gz FRVJBPSWJIDALR-OLZOCXBDSA-N 0 0 303.362 0.720 50 0 biogenic DCAARN CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000002178133 395681411 /nfs/dbraw/zinc/68/14/11/395681411.db2.gz SZOGNKHJXUHXOV-UHFFFAOYSA-N 0 0 300.336 0.439 50 0 DCAARN COC(=O)[C@@]1(C(F)(F)F)N=C(C)OC(N2CCOCC2)=N1 ZINC000002353815 395681487 /nfs/dbraw/zinc/68/14/87/395681487.db2.gz GOKFDLGSURIVBD-SNVBAGLBSA-N 0 0 309.244 0.555 50 0 DCAARN Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)NC(N)=O)c1 ZINC000002622666 395681707 /nfs/dbraw/zinc/68/17/07/395681707.db2.gz ATAYLJDPDQBPPE-QMMMGPOBSA-N 0 0 306.351 0.646 50 0 DCAARN O=C(COC(=O)C1CC1)NC(=O)[C@H]1COc2ccccc2O1 ZINC000002649640 395681743 /nfs/dbraw/zinc/68/17/43/395681743.db2.gz YPMDTAKPKXGQFL-GFCCVEGCSA-N 0 0 305.286 0.422 50 0 DCAARN C[C@H](OC(=O)CCS(=O)(=O)c1ccccc1Cl)C(N)=O ZINC000002663306 395681840 /nfs/dbraw/zinc/68/18/40/395681840.db2.gz WDMMUFKPINAGIC-QMMMGPOBSA-N 0 0 319.766 0.921 50 0 DCAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CCN3c1ccc(F)cc1 ZINC000003015695 395682211 /nfs/dbraw/zinc/68/22/11/395682211.db2.gz QNFPPOZIBFZEOR-UHFFFAOYSA-N 0 0 315.308 0.725 50 0 DCAARN C[N@@H+]1[C@@H]2C[C@H](O)[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000003197739 395682224 /nfs/dbraw/zinc/68/22/24/395682224.db2.gz WTQYWNWRJNXDEG-RBZJEDDUSA-N 0 0 305.374 0.902 50 0 biogenic,investigational DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Br)o1 ZINC000004247067 395682533 /nfs/dbraw/zinc/68/25/33/395682533.db2.gz CWOVUZLMBDMLPE-LURJTMIESA-N 0 0 308.153 0.959 50 0 DCAARN CCN1C(=O)C(=CNc2ncccn2)C(=O)N(CC)C1=S ZINC000005715872 395682819 /nfs/dbraw/zinc/68/28/19/395682819.db2.gz OFXDKEILWHIIHI-UHFFFAOYSA-N 0 0 305.363 0.768 50 0 DCAARN CCS(=O)(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000006744001 395683082 /nfs/dbraw/zinc/68/30/82/395683082.db2.gz MATDNCWBTDZFBD-UHFFFAOYSA-N 0 0 301.368 0.983 50 0 DCAARN COC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000008131768 395683990 /nfs/dbraw/zinc/68/39/90/395683990.db2.gz JRCTZDCGDIKXJD-UHFFFAOYSA-N 0 0 300.336 0.486 50 0 DCAARN CC(C)CN1C[C@H](C(=O)NCCNC(=O)c2ccco2)CC1=O ZINC000029786915 395700022 /nfs/dbraw/zinc/70/00/22/395700022.db2.gz TYBURSGVGMYRCH-GFCCVEGCSA-N 0 0 321.377 0.630 50 0 DCAARN O=C(NCc1cccnc1N1CCOCC1)C1=COCCO1 ZINC000031327306 395706320 /nfs/dbraw/zinc/70/63/20/395706320.db2.gz DXWCWCZYOBTIKX-UHFFFAOYSA-N 0 0 305.334 0.423 50 0 DCAARN CC(C)NC(=O)CNC(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000032091288 395709116 /nfs/dbraw/zinc/70/91/16/395709116.db2.gz RYJYZIXXQSBXDL-UHFFFAOYSA-N 0 0 302.334 0.747 50 0 DCAARN CC(=O)c1cn(Cc2nc(-c3ccco3)no2)c(=O)n(C)c1=O ZINC000089368551 395710589 /nfs/dbraw/zinc/71/05/89/395710589.db2.gz JSJLDAULYSUXMW-UHFFFAOYSA-N 0 0 316.273 0.441 50 0 DCAARN Cc1c2ncn(CC(=O)NC3CCCCC3)c(=O)c2nn1C ZINC000032648674 395711943 /nfs/dbraw/zinc/71/19/43/395711943.db2.gz IPBFLFBSFDLHBD-UHFFFAOYSA-N 0 0 303.366 0.887 50 0 DCAARN O=C(NCc1cccnc1)C1=NN(c2ccccc2)C(=O)CN1 ZINC000032646765 395711974 /nfs/dbraw/zinc/71/19/74/395711974.db2.gz BFVYNKIYQCFWSQ-UHFFFAOYSA-N 0 0 309.329 0.648 50 0 DCAARN COc1ccc(C(=O)NCCNC(=O)c2cc(C)n(C)n2)cc1 ZINC000032647843 395711994 /nfs/dbraw/zinc/71/19/94/395711994.db2.gz APMVXGIHNBUEMN-UHFFFAOYSA-N 0 0 316.361 0.897 50 0 DCAARN O=S(=O)(NC[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000032771426 395713117 /nfs/dbraw/zinc/71/31/17/395713117.db2.gz QCZFMNRKRVFMPW-SECBINFHSA-N 0 0 307.368 0.539 50 0 DCAARN COC(=O)[C@H](C)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 ZINC000032870509 395714278 /nfs/dbraw/zinc/71/42/78/395714278.db2.gz ROWKXCISBYLKHK-VIFPVBQESA-N 0 0 316.379 0.919 50 0 DCAARN CC(=O)N1CCN(C(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000032901435 395714364 /nfs/dbraw/zinc/71/43/64/395714364.db2.gz OETXKVLTIRADHV-UHFFFAOYSA-N 0 0 310.375 0.394 50 0 DCAARN CS(=O)(=O)Nc1ccccc1CNC(=O)c1ccc(=O)[nH]c1 ZINC000032930714 395714628 /nfs/dbraw/zinc/71/46/28/395714628.db2.gz SFUTYRDNXCPCKV-UHFFFAOYSA-N 0 0 321.358 0.676 50 0 DCAARN Cc1nn(C)c2c1ccn(CC(=O)NCc1ccccn1)c2=O ZINC000033171626 395716574 /nfs/dbraw/zinc/71/65/74/395716574.db2.gz XCCWRGJPFDQUTM-UHFFFAOYSA-N 0 0 311.345 0.755 50 0 DCAARN C[C@H]1CN(C)CCN1C(=O)c1cccc(N2CCNC2=O)c1 ZINC000089938643 395716864 /nfs/dbraw/zinc/71/68/64/395716864.db2.gz SSZZQEPSUUULBJ-LBPRGKRZSA-N 0 0 302.378 0.992 50 0 DCAARN CCCN1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000035186398 395719399 /nfs/dbraw/zinc/71/93/99/395719399.db2.gz FERDMQRJDRJIQK-UHFFFAOYSA-N 0 0 306.819 0.790 50 0 DCAARN COCCNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000035315617 395720143 /nfs/dbraw/zinc/72/01/43/395720143.db2.gz NWUUJNYQZPVSOL-UHFFFAOYSA-N 0 0 305.309 0.812 50 0 DCAARN Cc1cccc(C2=NC3(CCN(S(C)(=O)=O)CC3)NC2=O)c1 ZINC000035432524 395720693 /nfs/dbraw/zinc/72/06/93/395720693.db2.gz DPSQDQHEXOCAKX-UHFFFAOYSA-N 0 0 321.402 0.666 50 0 DCAARN COCC(=O)NCCn1ncc2c1ncnc2N1CCCCC1 ZINC000035590432 395720825 /nfs/dbraw/zinc/72/08/25/395720825.db2.gz IUTDDYUIILHBIU-UHFFFAOYSA-N 0 0 318.381 0.579 50 0 DCAARN CNC(=O)[C@H]1CN(C(=O)[C@H](C)n2cccn2)c2ccccc2O1 ZINC000028488920 395696109 /nfs/dbraw/zinc/69/61/09/395696109.db2.gz VKBQEXNAAWCKLA-SMDDNHRTSA-N 0 0 314.345 0.984 50 0 DCAARN CC(C)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000028646007 395696165 /nfs/dbraw/zinc/69/61/65/395696165.db2.gz AMHMRDJXDZHRFT-UHFFFAOYSA-N 0 0 301.346 0.583 50 0 DCAARN O=c1c2ccc(F)cc2ncn1C[C@@H](O)CN1CCOCC1 ZINC000028690004 395696170 /nfs/dbraw/zinc/69/61/70/395696170.db2.gz XDTQAWBMDAYGIA-LBPRGKRZSA-N 0 0 307.325 0.229 50 0 DCAARN CC(C)Cn1c(N)c(C(=O)CN2CCCCCC2)c(=O)[nH]c1=O ZINC000028900969 395696334 /nfs/dbraw/zinc/69/63/34/395696334.db2.gz AUMIXVSHYNLUAX-UHFFFAOYSA-N 0 0 322.409 0.834 50 0 DCAARN COCc1cccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000029656244 395699131 /nfs/dbraw/zinc/69/91/31/395699131.db2.gz IIKFUAUMCQLREY-UHFFFAOYSA-N 0 0 317.345 0.647 50 0 DCAARN C[C@H](Cn1cccn1)NS(=O)(=O)c1ncn(C)c1Cl ZINC000037989567 395730289 /nfs/dbraw/zinc/73/02/89/395730289.db2.gz NHUAPFIDLSHWAB-MRVPVSSYSA-N 0 0 303.775 0.637 50 0 DCAARN CCn1cnnc1CNC(=O)NCc1ccc(C(N)=O)cc1 ZINC000041219563 395735893 /nfs/dbraw/zinc/73/58/93/395735893.db2.gz SWBIZHIUOAWAIX-UHFFFAOYSA-N 0 0 302.338 0.396 50 0 DCAARN C[C@@H]1Oc2ccccc2N(CC(=O)NC[C@@H]2CCOC2)C1=O ZINC000041370327 395736783 /nfs/dbraw/zinc/73/67/83/395736783.db2.gz YRJKZQFDFZXJIV-RYUDHWBXSA-N 0 0 304.346 0.953 50 0 DCAARN CO[C@@H]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000095972003 395740871 /nfs/dbraw/zinc/74/08/71/395740871.db2.gz MZIISMXSEUMGGC-GHMZBOCLSA-N 0 0 306.428 0.588 50 0 DCAARN O=C(C1CCCC1)N1CC(S(=O)(=O)NCc2ccccn2)C1 ZINC000096004944 395740960 /nfs/dbraw/zinc/74/09/60/395740960.db2.gz PCJFYJZJYBTOFT-UHFFFAOYSA-N 0 0 323.418 0.902 50 0 DCAARN CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CCc2ccccc2)C1 ZINC000096098096 395744266 /nfs/dbraw/zinc/74/42/66/395744266.db2.gz ASLQXMTVSMRADA-CYBMUJFWSA-N 0 0 317.432 0.678 50 0 DCAARN Cn1nnnc1COc1cccc(C(=O)N2CCN(C)CC2)c1 ZINC000096101345 395744297 /nfs/dbraw/zinc/74/42/97/395744297.db2.gz RFULDGUMHFCNGT-UHFFFAOYSA-N 0 0 316.365 0.177 50 0 DCAARN O=C([O-])[C@]12CN(C(=O)C3CC3)C[C@H]1C[N@H+](Cc1nccs1)C2 ZINC000096151293 395745966 /nfs/dbraw/zinc/74/59/66/395745966.db2.gz AEBPKRBDFTWNID-IAQYHMDHSA-N 0 0 321.402 0.898 50 0 DCAARN C[C@]1(O)CCN(C(=O)c2cnc3ccc(F)cc3c2O)C[C@@H]1O ZINC000096149944 395746152 /nfs/dbraw/zinc/74/61/52/395746152.db2.gz PGFLVLLBIMQBIN-BBRMVZONSA-N 0 0 320.320 0.625 50 0 DCAARN CCc1nnc(Cn2cnc3c(nnn3-c3ccccc3)c2=O)o1 ZINC000096409780 395752744 /nfs/dbraw/zinc/75/27/44/395752744.db2.gz FSPBAZKFYMNCOM-UHFFFAOYSA-N 0 0 323.316 0.971 50 0 DCAARN Cc1cc(C)n(-c2ccccc2CNC(=O)Cn2cnnn2)n1 ZINC000096473365 395753804 /nfs/dbraw/zinc/75/38/04/395753804.db2.gz NWPHFJMARCUNNM-UHFFFAOYSA-N 0 0 311.349 0.792 50 0 DCAARN C[C@@H](CNc1ncnc2c1cnn2CCO)Cn1cccn1 ZINC000097199923 395755664 /nfs/dbraw/zinc/75/56/64/395755664.db2.gz WBGVLSATMLTFHE-NSHDSACASA-N 0 0 301.354 0.763 50 0 DCAARN O=C(C1CCOCC1)N1CCN(Cc2ccco2)C[C@@H](O)C1 ZINC000097272339 395756473 /nfs/dbraw/zinc/75/64/73/395756473.db2.gz INAVWFAIXXIGFU-CQSZACIVSA-N 0 0 308.378 0.711 50 0 DCAARN O=C(CCc1nnc2ccccn2c1=O)NCCc1ccco1 ZINC000096230780 395751125 /nfs/dbraw/zinc/75/11/25/395751125.db2.gz DBEKNDIAQLCADF-UHFFFAOYSA-N 0 0 312.329 0.974 50 0 DCAARN COC(=O)[C@H](C)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000097474192 395758138 /nfs/dbraw/zinc/75/81/38/395758138.db2.gz QRTOCPMXRVJALH-LBPRGKRZSA-N 0 0 324.352 0.910 50 0 DCAARN CC(=O)Nc1nc(C(=O)N[C@H](C)CN2CCOCC2)cs1 ZINC000046890123 395782282 /nfs/dbraw/zinc/78/22/82/395782282.db2.gz PAEYYZQNIVLYAT-SECBINFHSA-N 0 0 312.395 0.552 50 0 DCAARN Cc1cnn(C[C@@H]2CN(C[C@@H](O)Cn3cccn3)CCO2)c1 ZINC000106667336 395783859 /nfs/dbraw/zinc/78/38/59/395783859.db2.gz FRVHUYVQAPHQCR-CABCVRRESA-N 0 0 305.382 0.150 50 0 DCAARN Cn1cc(CCNC(=O)N2CCN(c3ncccn3)CC2)cn1 ZINC000046994168 395785322 /nfs/dbraw/zinc/78/53/22/395785322.db2.gz QPFSFXDKPQVTDI-UHFFFAOYSA-N 0 0 315.381 0.284 50 0 DCAARN CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc(=O)n(C)n1)C2 ZINC000097547644 395758466 /nfs/dbraw/zinc/75/84/66/395758466.db2.gz WKQHYTFFIQIXFC-NWDGAFQWSA-N 0 0 318.377 0.253 50 0 DCAARN O=C(c1cnc2c(F)cccc2c1O)N1CCS(=O)(=O)CC1 ZINC000097551267 395758825 /nfs/dbraw/zinc/75/88/25/395758825.db2.gz IOPNUJHGEDUJGF-UHFFFAOYSA-N 0 0 324.333 0.538 50 0 DCAARN COc1ccc(Cn2ncnc2CN2CCNC(=O)C2)cc1 ZINC000097610282 395759025 /nfs/dbraw/zinc/75/90/25/395759025.db2.gz HEROSVDGEJZWRN-UHFFFAOYSA-N 0 0 301.350 0.267 50 0 DCAARN CNc1snc(C)c1C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000097600747 395759251 /nfs/dbraw/zinc/75/92/51/395759251.db2.gz QQMYKVHMKYWYLE-UHFFFAOYSA-N 0 0 323.378 0.307 50 0 DCAARN O=C(N[C@H]1C=CS(=O)(=O)C1)c1ccccc1-n1cccn1 ZINC000097717303 395760487 /nfs/dbraw/zinc/76/04/87/395760487.db2.gz NFVJRQYNVVXJRZ-NSHDSACASA-N 0 0 303.343 0.913 50 0 DCAARN O=C([O-])[C@@H]1C[NH2+]CCN(C(=O)c2nc3cc(F)ccc3[nH]2)C1 ZINC000097823581 395760685 /nfs/dbraw/zinc/76/06/85/395760685.db2.gz CKBLEHKMLQUGEI-MRVPVSSYSA-N 0 0 306.297 0.448 50 0 DCAARN C[C@H]1Cc2ccccc2N1CCNC(=O)C[C@H]1NC(=O)NC1=O ZINC000097989789 395761274 /nfs/dbraw/zinc/76/12/74/395761274.db2.gz UVTDQDTYCDZIRZ-CMPLNLGQSA-N 0 0 316.361 0.152 50 0 DCAARN COc1cccc(CNC(=O)CN2CCS(=O)(=O)CC2)c1 ZINC000045858258 395767260 /nfs/dbraw/zinc/76/72/60/395767260.db2.gz HYSRURBFMXACIZ-UHFFFAOYSA-N 0 0 312.391 0.042 50 0 DCAARN Cc1ccc(NC(=O)CN2CCS(=O)(=O)CC2)cc1F ZINC000045875465 395767928 /nfs/dbraw/zinc/76/79/28/395767928.db2.gz QFRJHLOKGGRAKE-UHFFFAOYSA-N 0 0 300.355 0.803 50 0 DCAARN COc1ncccc1CNC(=O)NC1CCN(C(C)=O)CC1 ZINC000048154509 395809697 /nfs/dbraw/zinc/80/96/97/395809697.db2.gz FDGSGZSFOMUEPI-UHFFFAOYSA-N 0 0 306.366 0.900 50 0 DCAARN C[C@@H](CNC(=O)NCc1cccnc1N(C)C)N1CCOCC1 ZINC000048251504 395811348 /nfs/dbraw/zinc/81/13/48/395811348.db2.gz CFVSTVOZSZIOLP-ZDUSSCGKSA-N 0 0 321.425 0.668 50 0 DCAARN CCS(=O)(=O)N1CC[C@@H](Oc2cncc(N(C)C)n2)C1 ZINC000225407322 395859760 /nfs/dbraw/zinc/85/97/60/395859760.db2.gz PRJGNKHRWVBAMO-SNVBAGLBSA-N 0 0 300.384 0.345 50 0 DCAARN COc1ccccc1OCCNC(=O)C(=O)Nc1cc[nH]n1 ZINC000049548308 395832516 /nfs/dbraw/zinc/83/25/16/395832516.db2.gz JEXSRBKTXJBKML-UHFFFAOYSA-N 0 0 304.306 0.552 50 0 DCAARN Cc1cc(N)n(CC(=O)N[C@H]2CCCN(c3cnccn3)C2)n1 ZINC000214955692 395836739 /nfs/dbraw/zinc/83/67/39/395836739.db2.gz ADQXIROQRDMMDJ-LBPRGKRZSA-N 0 0 315.381 0.349 50 0 DCAARN COc1ccc(O[C@H]2CCN(C(=O)N3CCOCC3)C2)nn1 ZINC000225441283 395860160 /nfs/dbraw/zinc/86/01/60/395860160.db2.gz SMOXMXXZLOSKRJ-NSHDSACASA-N 0 0 308.338 0.391 50 0 DCAARN CN(C)c1ccc(O[C@H]2CCN(C(=O)c3cnccn3)C2)nn1 ZINC000225446046 395860230 /nfs/dbraw/zinc/86/02/30/395860230.db2.gz PISBLOHVVIMDBN-NSHDSACASA-N 0 0 314.349 0.626 50 0 DCAARN CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1[nH]nc2ccccc21 ZINC000218974639 395843511 /nfs/dbraw/zinc/84/35/11/395843511.db2.gz VHNHDMSBEMOUIE-DZGBDDFRSA-N 0 0 314.345 0.585 50 0 DCAARN COCc1noc(CCNC(=O)c2cnc(SC)nc2)n1 ZINC000219229175 395844496 /nfs/dbraw/zinc/84/44/96/395844496.db2.gz LRNUWQIPMKATFX-UHFFFAOYSA-N 0 0 309.351 0.700 50 0 DCAARN CN(CC(=O)NCCc1csc(N)n1)Cc1cccnc1 ZINC000219809417 395846111 /nfs/dbraw/zinc/84/61/11/395846111.db2.gz GALZZHPQXZBDQX-UHFFFAOYSA-N 0 0 305.407 0.911 50 0 DCAARN Cc1nonc1CC(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1 ZINC000219688701 395846143 /nfs/dbraw/zinc/84/61/43/395846143.db2.gz HTCCVCAPUIBREK-CHWSQXEVSA-N 0 0 318.333 0.668 50 0 DCAARN COC(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1 ZINC000051133779 395846206 /nfs/dbraw/zinc/84/62/06/395846206.db2.gz VTXBIFFRBBNXCE-UHFFFAOYSA-N 0 0 312.391 0.718 50 0 DCAARN CCCn1cc(CN2CCn3nc([C@H](O)CO)cc3C2)c(C)n1 ZINC000219881102 395846971 /nfs/dbraw/zinc/84/69/71/395846971.db2.gz ZQLQKJZYZYNWEO-MRXNPFEDSA-N 0 0 319.409 0.840 50 0 DCAARN Cc1nn(C)c(C)c1C(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000220349526 395848400 /nfs/dbraw/zinc/84/84/00/395848400.db2.gz YRKRXBDKWLXQKI-UHFFFAOYSA-N 0 0 303.370 0.113 50 0 DCAARN Cn1cc([C@H](NC(=O)c2n[nH]c3c2CCC3)[C@H]2C[C@H](O)C2)cn1 ZINC000220513916 395848582 /nfs/dbraw/zinc/84/85/82/395848582.db2.gz PUIDHVYBVXTJQY-OLUVUFQESA-N 0 0 315.377 0.874 50 0 DCAARN Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)NCc2cccnc2N)n1 ZINC000220511367 395848994 /nfs/dbraw/zinc/84/89/94/395848994.db2.gz AHIOVCPLXXPADT-VIFPVBQESA-N 0 0 319.390 0.853 50 0 DCAARN CCn1cc(S(=O)(=O)N2CCC(OCCOC)CC2)cn1 ZINC000116903577 395849781 /nfs/dbraw/zinc/84/97/81/395849781.db2.gz QGYFNEYXMHQHHH-UHFFFAOYSA-N 0 0 317.411 0.719 50 0 DCAARN COc1cccc([C@@H]2CCCN2C(=O)CN2CCNC(=O)C2)c1 ZINC000051379785 395849877 /nfs/dbraw/zinc/84/98/77/395849877.db2.gz NPBNPGBFQZEHFN-HNNXBMFYSA-N 0 0 317.389 0.791 50 0 DCAARN COC(=O)c1ccc(C(=O)NCC(=O)Nc2cn[nH]c2)cc1 ZINC000051414384 395850007 /nfs/dbraw/zinc/85/00/07/395850007.db2.gz SORQPZVKZZUFKT-UHFFFAOYSA-N 0 0 302.290 0.565 50 0 DCAARN COCCN1C[C@H](CNC(=O)CCn2ccc(C)n2)CC1=O ZINC000221239789 395850121 /nfs/dbraw/zinc/85/01/21/395850121.db2.gz GXPBLWGWUXRYHU-ZDUSSCGKSA-N 0 0 308.382 0.193 50 0 DCAARN CS(=O)(=O)NCCC(=O)NC[C@H]1OCCc2ccccc21 ZINC000221262549 395850521 /nfs/dbraw/zinc/85/05/21/395850521.db2.gz XCNKXHWUQTVLEW-CYBMUJFWSA-N 0 0 312.391 0.356 50 0 DCAARN Cc1ccnc(SCC(=O)N2CCn3nc(CO)cc3C2)n1 ZINC000221421262 395851328 /nfs/dbraw/zinc/85/13/28/395851328.db2.gz LKQFUTICJOKRDE-UHFFFAOYSA-N 0 0 319.390 0.608 50 0 DCAARN O=C([C@H]1C[C@H]1c1ccco1)N1CCC[C@@H]([C@@H]2NC(=O)NC2=O)C1 ZINC000222157777 395851759 /nfs/dbraw/zinc/85/17/59/395851759.db2.gz SLLOCYNFMWZMAW-DCQANWLSSA-N 0 0 317.345 0.830 50 0 DCAARN CCN1CCN(C(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)[C@@H](C)C1=O ZINC000222398407 395852571 /nfs/dbraw/zinc/85/25/71/395852571.db2.gz QOOJZHGFYXQNMJ-JTQLQIEISA-N 0 0 320.393 0.760 50 0 DCAARN COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)CC(N)=O)c1 ZINC000047628743 395797704 /nfs/dbraw/zinc/79/77/04/395797704.db2.gz XXTVPDCCGDUCNQ-SNVBAGLBSA-N 0 0 309.366 0.298 50 0 DCAARN CN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000047652361 395799410 /nfs/dbraw/zinc/79/94/10/395799410.db2.gz OZCMAAAJQCPAPP-UHFFFAOYSA-N 0 0 311.407 0.325 50 0 DCAARN C[C@@H](O)CNC(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000047674662 395800071 /nfs/dbraw/zinc/80/00/71/395800071.db2.gz IYQNGEFENOBKSA-CYBMUJFWSA-N 0 0 324.400 0.628 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)CNc2ccccc2F)CC1 ZINC000053781221 395888942 /nfs/dbraw/zinc/88/89/42/395888942.db2.gz VSZYEBJFNKYVAI-UHFFFAOYSA-N 0 0 315.370 0.341 50 0 DCAARN NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccoc2Cl)C1 ZINC000236284971 395893834 /nfs/dbraw/zinc/89/38/34/395893834.db2.gz VWULJXXKGPXVHV-MRVPVSSYSA-N 0 0 321.786 0.578 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N2CCC(OC)CC2)cc1 ZINC000054189810 395895497 /nfs/dbraw/zinc/89/54/97/395895497.db2.gz SRIMJEFREOKNHW-UHFFFAOYSA-N 0 0 312.391 0.846 50 0 DCAARN CCc1ncncc1C(=O)N1CCC(N2CCNC2=O)CC1 ZINC000055786862 395921295 /nfs/dbraw/zinc/92/12/95/395921295.db2.gz MWWGVFIZAROSDS-UHFFFAOYSA-N 0 0 303.366 0.669 50 0 DCAARN CN(C)c1ccnc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)c1 ZINC000130370060 395922936 /nfs/dbraw/zinc/92/29/36/395922936.db2.gz XJBNPGZGDJTOCK-GFCCVEGCSA-N 0 0 302.334 0.167 50 0 DCAARN COCC[C@@H]1CN(Cc2cc(=O)n3cccc(O)c3n2)CCO1 ZINC000244852627 395925351 /nfs/dbraw/zinc/92/53/51/395925351.db2.gz UVXVTRSCXJUEMZ-CYBMUJFWSA-N 0 0 319.361 0.637 50 0 DCAARN O=C(NCCn1ccc(-c2cnccn2)n1)c1ccc(=O)oc1 ZINC000244909782 395926650 /nfs/dbraw/zinc/92/66/50/395926650.db2.gz AVDWJUGJSNAZDZ-UHFFFAOYSA-N 0 0 311.301 0.723 50 0 DCAARN CCn1ccc(C(=O)NCc2nnc3ccc(OC)nn32)n1 ZINC000244983843 395926673 /nfs/dbraw/zinc/92/66/73/395926673.db2.gz ITDZIGBZUDXWNX-UHFFFAOYSA-N 0 0 301.310 0.279 50 0 DCAARN COc1nccnc1O[C@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000225495894 395861522 /nfs/dbraw/zinc/86/15/22/395861522.db2.gz TUFMVIDVLJYIGI-RYUDHWBXSA-N 0 0 307.350 0.892 50 0 DCAARN CN1CCN(c2nccc(CNC(=O)NC3CCCC3)n2)CC1 ZINC000225619026 395862329 /nfs/dbraw/zinc/86/23/29/395862329.db2.gz XYJIYZGVPFLKBK-UHFFFAOYSA-N 0 0 318.425 0.970 50 0 DCAARN C[C@H]1CC[C@H](NC(=O)N2CCC(CS(N)(=O)=O)CC2)C1 ZINC000225699817 395862368 /nfs/dbraw/zinc/86/23/68/395862368.db2.gz UEDYRMIKPYMYEU-JQWIXIFHSA-N 0 0 303.428 0.885 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000225755629 395863170 /nfs/dbraw/zinc/86/31/70/395863170.db2.gz LWPHYBCBMRIFOR-LLVKDONJSA-N 0 0 315.395 0.528 50 0 DCAARN COCCNC(=O)CN1CCN(C(=O)Cc2ccccc2)CC1 ZINC000052554061 395864824 /nfs/dbraw/zinc/86/48/24/395864824.db2.gz IXIIDZJLOUFVPP-UHFFFAOYSA-N 0 0 319.405 0.136 50 0 DCAARN COCCNC(=O)Cn1cc(COc2ccccc2F)nn1 ZINC000227167991 395867716 /nfs/dbraw/zinc/86/77/16/395867716.db2.gz FIESOLVOQJTYOC-UHFFFAOYSA-N 0 0 308.313 0.759 50 0 DCAARN CCCc1nnc([C@@H]2CN(C[C@@H](O)Cn3cccn3)CCO2)[nH]1 ZINC000229826541 395876367 /nfs/dbraw/zinc/87/63/67/395876367.db2.gz GXKCJGSHQYYRPQ-OLZOCXBDSA-N 0 0 320.397 0.388 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)N[C@H]2CC(C)(C)OC2=O)C[C@H](C)O1 ZINC000229981931 395876565 /nfs/dbraw/zinc/87/65/65/395876565.db2.gz LTLDNSBTWNHVOW-AEJSXWLSSA-N 0 0 306.384 0.024 50 0 DCAARN Cc1ccc(N[C@@H](C)C(=O)NC(N)=O)c(OCC(=O)N(C)C)c1 ZINC000058158525 395951880 /nfs/dbraw/zinc/95/18/80/395951880.db2.gz VTLGQVFIFGJYEJ-JTQLQIEISA-N 0 0 322.365 0.457 50 0 DCAARN C[C@@H]1N=C(NCc2cccc(CN3CCOCC3)c2)OC1=O ZINC000058342903 395953030 /nfs/dbraw/zinc/95/30/30/395953030.db2.gz OHLCWOQJHSJCFO-LBPRGKRZSA-N 0 0 303.362 0.910 50 0 DCAARN CNC(=O)[C@@H](C)Sc1nnnn1-c1cc(OC)ccc1OC ZINC000058342586 395953056 /nfs/dbraw/zinc/95/30/56/395953056.db2.gz NVNAVTMZRGVVKZ-MRVPVSSYSA-N 0 0 323.378 0.906 50 0 DCAARN NC(=O)Cn1c(=O)cccc1C(=O)NCc1cc(F)cc(F)c1 ZINC000064755206 395988939 /nfs/dbraw/zinc/98/89/39/395988939.db2.gz CDFAVQKEJZSPKO-UHFFFAOYSA-N 0 0 321.283 0.542 50 0 DCAARN CC(C)CC(=O)NCC(=O)N1CCN(c2ccccn2)CC1 ZINC000065212674 395991607 /nfs/dbraw/zinc/99/16/07/395991607.db2.gz MISFVAFPUBOPGT-UHFFFAOYSA-N 0 0 304.394 0.893 50 0 DCAARN CN(Cc1nccn1C)c1nccc(N2CCC[C@H](O)C2)n1 ZINC000065498074 395994089 /nfs/dbraw/zinc/99/40/89/395994089.db2.gz GGQPIBUIDBKLLR-LBPRGKRZSA-N 0 0 302.382 0.808 50 0 DCAARN O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)C1=NNC(=O)CC1 ZINC000252522858 396022561 /nfs/dbraw/zinc/02/25/61/396022561.db2.gz BHXRVJZMTAPBHK-GPCCPHFNSA-N 0 0 302.334 0.276 50 0 DCAARN Cc1nc2[nH]cnn2c(=O)c1CCC(=O)N[C@@H](CO)C(C)C ZINC000252536730 396022659 /nfs/dbraw/zinc/02/26/59/396022659.db2.gz JIDJXKURMAIJHE-NSHDSACASA-N 0 0 307.354 0.204 50 0 DCAARN Cc1cnn(CC(=O)N2C[C@@H](CO)[C@H](c3ccccn3)C2)c1 ZINC000253412777 396026996 /nfs/dbraw/zinc/02/69/96/396026996.db2.gz RZISSKPUBFNVHF-UONOGXRCSA-N 0 0 300.362 0.821 50 0 DCAARN COCC[C@H](CO)NC(=O)[C@H](C)NC(=O)COc1ccccc1 ZINC000253432160 396028573 /nfs/dbraw/zinc/02/85/73/396028573.db2.gz WWNLNYYDQJGZQI-QWHCGFSZSA-N 0 0 324.377 0.084 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCc1nc(C(C)C)no1 ZINC000253536064 396029295 /nfs/dbraw/zinc/02/92/95/396029295.db2.gz GITGSDNDHQOTEN-UHFFFAOYSA-N 0 0 321.337 0.604 50 0 DCAARN CN(C)c1nc([C@H]2C[C@@H](NC(=O)c3nccn3C)C2)cc(=O)[nH]1 ZINC000253535604 396029331 /nfs/dbraw/zinc/02/93/31/396029331.db2.gz IDOZITIAJGNLLK-AOOOYVTPSA-N 0 0 316.365 0.658 50 0 DCAARN Cc1nn(C)c(N2CCOCC2)c1[C@@H]1NCCc2nc[nH]c21 ZINC000067642523 396029985 /nfs/dbraw/zinc/02/99/85/396029985.db2.gz UWLXFZSMCCOEHS-AWEZNQCLSA-N 0 0 302.382 0.523 50 0 DCAARN CC(C)(C)C(=O)Nc1ccnn1C1CCN(CC(N)=O)CC1 ZINC000067755041 396032570 /nfs/dbraw/zinc/03/25/70/396032570.db2.gz UJLQMLZVNNPXQX-UHFFFAOYSA-N 0 0 307.398 0.990 50 0 DCAARN CN(CCc1ccccn1)c1ncccc1CNC(=O)CO ZINC000067804582 396034317 /nfs/dbraw/zinc/03/43/17/396034317.db2.gz FWXHSBMXUWKXRC-UHFFFAOYSA-N 0 0 300.362 0.764 50 0 DCAARN CN1CCN(Cc2noc(CN3CCCCCC3=O)n2)CC1 ZINC000067784566 396034345 /nfs/dbraw/zinc/03/43/45/396034345.db2.gz YRWCELNXILLXDY-UHFFFAOYSA-N 0 0 307.398 0.720 50 0 DCAARN CCOc1ccc(C(=O)N2C[C@@H](CO)[C@H](NC(C)=O)C2)cc1 ZINC000257196522 396035901 /nfs/dbraw/zinc/03/59/01/396035901.db2.gz YJDBSDDGUFVLLU-DZGCQCFKSA-N 0 0 306.362 0.654 50 0 DCAARN CCCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH2+]CCNC(C)=O)C2 ZINC000067919660 396038598 /nfs/dbraw/zinc/03/85/98/396038598.db2.gz XDKXBJPKMYTIRR-LLVKDONJSA-N 0 0 308.382 0.574 50 0 DCAARN C[C@@H](NC(=O)CCNC(=O)c1ccco1)c1nnnn1C1CC1 ZINC000252483069 396019917 /nfs/dbraw/zinc/01/99/17/396019917.db2.gz DTZCTOPYSSYANB-SECBINFHSA-N 0 0 318.337 0.598 50 0 DCAARN CC(C)[C@H](CO)NC(=O)CCCn1nnc2ccccc2c1=O ZINC000252484432 396020964 /nfs/dbraw/zinc/02/09/64/396020964.db2.gz FVWCWQKIGYLBIQ-AWEZNQCLSA-N 0 0 318.377 0.705 50 0 DCAARN COC[C@@H](O)CNC(=O)NCc1ncnn1-c1ccccc1 ZINC000252506080 396021460 /nfs/dbraw/zinc/02/14/60/396021460.db2.gz VXXFDLSPEKHRHK-LBPRGKRZSA-N 0 0 305.338 0.074 50 0 DCAARN COCc1nnc(NC(=O)CN2CCCO[C@@H](C)C2)s1 ZINC000252495415 396021596 /nfs/dbraw/zinc/02/15/96/396021596.db2.gz OPYIEEQFZNKZGG-VIFPVBQESA-N 0 0 300.384 0.734 50 0 DCAARN Cc1nc(CN2CCNC(=O)[C@@H]2c2cccc(F)c2)n(C)n1 ZINC000252499441 396021869 /nfs/dbraw/zinc/02/18/69/396021869.db2.gz SAQGVPOJJFTYCH-AWEZNQCLSA-N 0 0 303.341 0.936 50 0 DCAARN O=C(CN1CCN(c2nc[nH]n2)CC1)NCc1cccs1 ZINC000252497072 396021937 /nfs/dbraw/zinc/02/19/37/396021937.db2.gz PYHFHWDUTSKUDM-UHFFFAOYSA-N 0 0 306.395 0.305 50 0 DCAARN CCS(=O)(=O)NCCCNS(=O)(=O)[C@H](C)CC(C)C ZINC000069670128 396086337 /nfs/dbraw/zinc/08/63/37/396086337.db2.gz JMJZKPMVFLLUAG-LLVKDONJSA-N 0 0 314.473 0.670 50 0 DCAARN Cc1noc([C@@H](C)N2CCN(C[C@@H](O)Cn3cccn3)CC2)n1 ZINC000069697294 396087162 /nfs/dbraw/zinc/08/71/62/396087162.db2.gz VZCLZHRWAZZPIE-TZMCWYRMSA-N 0 0 320.397 0.314 50 0 DCAARN Cc1cc(C(=O)NC[C@@H]2Cn3cccc3C(=O)N2C)nn1C ZINC000169778798 396091111 /nfs/dbraw/zinc/09/11/11/396091111.db2.gz ZJHFWQZDYSLPBU-LLVKDONJSA-N 0 0 301.350 0.414 50 0 DCAARN Cc1ccccc1OCCCN1CCN(S(N)(=O)=O)CC1 ZINC000069849030 396092283 /nfs/dbraw/zinc/09/22/83/396092283.db2.gz NZFBCUFWPBZJQI-UHFFFAOYSA-N 0 0 313.423 0.585 50 0 DCAARN COC(=O)[C@@H]1CC[C@H](C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)O1 ZINC000170604933 396094932 /nfs/dbraw/zinc/09/49/32/396094932.db2.gz FTNZRNFXYJVXMQ-XQQFMLRXSA-N 0 0 323.349 0.721 50 0 DCAARN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000170608072 396095352 /nfs/dbraw/zinc/09/53/52/396095352.db2.gz MJLUOQDXFYOWGS-PCDDKUFXSA-N 0 0 324.352 0.787 50 0 DCAARN CCN(C(=O)[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 ZINC000170646470 396095898 /nfs/dbraw/zinc/09/58/98/396095898.db2.gz ZMWGXDAFYOGNDE-ZJUUUORDSA-N 0 0 309.478 0.871 50 0 DCAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(C)C ZINC000070007830 396097296 /nfs/dbraw/zinc/09/72/96/396097296.db2.gz CHVBMTCXRRJHQC-SNVBAGLBSA-N 0 0 316.427 0.836 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1 ZINC000070017817 396098033 /nfs/dbraw/zinc/09/80/33/396098033.db2.gz OUERHLGTEASADA-ZDUSSCGKSA-N 0 0 319.409 0.215 50 0 DCAARN O=C(c1cc[nH]n1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000070016045 396098168 /nfs/dbraw/zinc/09/81/68/396098168.db2.gz IEKLJGNTRBWOOL-OAHLLOKOSA-N 0 0 300.362 0.901 50 0 DCAARN CC(=O)N1CCN(C(=O)CN(CCO)Cc2ccccc2)CC1 ZINC000070927227 396107146 /nfs/dbraw/zinc/10/71/46/396107146.db2.gz BOVLLYGMEHWYAM-UHFFFAOYSA-N 0 0 319.405 0.172 50 0 DCAARN Cc1ncc(CC(=O)N2CCO[C@H](C(F)(F)F)C2)c(=O)[nH]1 ZINC000071419382 396113859 /nfs/dbraw/zinc/11/38/59/396113859.db2.gz FUBSWKKCDFWVEY-VIFPVBQESA-N 0 0 305.256 0.411 50 0 DCAARN Cc1nc(C)c(CC(=O)N2CCO[C@@H](C(F)(F)F)C2)c(=O)[nH]1 ZINC000071758966 396114045 /nfs/dbraw/zinc/11/40/45/396114045.db2.gz MBBCOYCFIMDVER-SNVBAGLBSA-N 0 0 319.283 0.719 50 0 DCAARN O=C(c1ccncc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000071793450 396115553 /nfs/dbraw/zinc/11/55/53/396115553.db2.gz NDWUAJFISUVMCE-CYBMUJFWSA-N 0 0 309.391 0.027 50 0 DCAARN O=C(CC1CCN(c2ccc3nnnn3n2)CC1)N1CCCC1 ZINC000071811062 396115575 /nfs/dbraw/zinc/11/55/75/396115575.db2.gz YYNIOTYKJYVQFM-UHFFFAOYSA-N 0 0 315.381 0.748 50 0 DCAARN Cc1cc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)[nH]n1 ZINC000071841511 396118509 /nfs/dbraw/zinc/11/85/09/396118509.db2.gz CTHBDJBJYFXSGT-NSHDSACASA-N 0 0 304.325 0.931 50 0 DCAARN COCCN1CCN(CC(=O)NCCc2ccccc2)C[C@@H]1C ZINC000071864757 396119425 /nfs/dbraw/zinc/11/94/25/396119425.db2.gz RKYDLLKYBQDFIQ-INIZCTEOSA-N 0 0 319.449 0.998 50 0 DCAARN COCCc1noc(CNC[C@H]2CCCN2c2cccnn2)n1 ZINC000071859942 396119790 /nfs/dbraw/zinc/11/97/90/396119790.db2.gz ZZZXKYBNJYMKCG-GFCCVEGCSA-N 0 0 318.381 0.807 50 0 DCAARN COc1ccc(OC)c(C(=O)N2CCN(C[C@H](C)O)CC2)c1 ZINC000071871038 396120456 /nfs/dbraw/zinc/12/04/56/396120456.db2.gz FOBJTOWQEWOGDX-LBPRGKRZSA-N 0 0 308.378 0.842 50 0 DCAARN CCNC(=O)N1CCN(C(=O)[C@H](C)n2nc(C)cc2C)CC1 ZINC000071890155 396123778 /nfs/dbraw/zinc/12/37/78/396123778.db2.gz QJVOEKSQXBWVMS-ZDUSSCGKSA-N 0 0 307.398 0.935 50 0 DCAARN CCCn1nnnc1CN1CCN(Cc2noc(C)n2)CC1 ZINC000071907401 396124308 /nfs/dbraw/zinc/12/43/08/396124308.db2.gz MYNUDTZZOZPMKF-UHFFFAOYSA-N 0 0 306.374 0.092 50 0 DCAARN CC(C)COC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@@H](C)O ZINC000071921343 396125295 /nfs/dbraw/zinc/12/52/95/396125295.db2.gz DGYOYLIWRAASPZ-KOLCDFICSA-N 0 0 321.420 0.975 50 0 DCAARN Cc1ccc(=O)n(CC(=O)N2CCC[C@@H](n3cncn3)C2)n1 ZINC000072235129 396127466 /nfs/dbraw/zinc/12/74/66/396127466.db2.gz CRRIWUNUNYLZME-GFCCVEGCSA-N 0 0 302.338 0.007 50 0 DCAARN CN(C)c1ccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)nn1 ZINC000072269905 396129212 /nfs/dbraw/zinc/12/92/12/396129212.db2.gz IFNGWQLIRITOQJ-KGLIPLIRSA-N 0 0 319.409 0.214 50 0 DCAARN Cc1cccc(C2(C(=O)N3CC[C@]4(C3)NC(=O)NC4=O)CC2)c1 ZINC000072290717 396130152 /nfs/dbraw/zinc/13/01/52/396130152.db2.gz QRBRGKCABPBSHI-QGZVFWFLSA-N 0 0 313.357 0.837 50 0 DCAARN CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)OCCCC(N)=O ZINC000072310830 396130642 /nfs/dbraw/zinc/13/06/42/396130642.db2.gz TWQSIZDBZXXKSX-LBPRGKRZSA-N 0 0 313.375 0.451 50 0 DCAARN CCn1nc2c(cc1=O)CN(Cc1cccc(C(N)=O)c1)CC2 ZINC000072302273 396130677 /nfs/dbraw/zinc/13/06/77/396130677.db2.gz DRWIQJBHNZGZEK-UHFFFAOYSA-N 0 0 312.373 0.920 50 0 DCAARN CCn1ccnc1CN1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000072300726 396130820 /nfs/dbraw/zinc/13/08/20/396130820.db2.gz LYXQXWBKSXYBJK-XHDPSFHLSA-N 0 0 305.382 0.713 50 0 DCAARN CCOC(=O)CCCNS(=O)(=O)CC1(CC(=O)OC)CC1 ZINC000072313153 396131400 /nfs/dbraw/zinc/13/14/00/396131400.db2.gz AIBLVFQRMKYQSP-UHFFFAOYSA-N 0 0 321.395 0.592 50 0 DCAARN COC(=O)c1ccc(N(C)CCN2CCOC(C)(C)C2)nn1 ZINC000278962464 396143601 /nfs/dbraw/zinc/14/36/01/396143601.db2.gz YKICCIBEBRXWFS-UHFFFAOYSA-N 0 0 308.382 0.810 50 0 DCAARN O=c1[nH]c(=O)n(CCS(=O)(=O)c2ccccc2)cc1Cl ZINC000072914766 396139929 /nfs/dbraw/zinc/13/99/29/396139929.db2.gz SVKULRAAWANWSW-UHFFFAOYSA-N 0 0 314.750 0.664 50 0 DCAARN CC[C@H](C(N)=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000069349714 396075683 /nfs/dbraw/zinc/07/56/83/396075683.db2.gz PCQVQHSQEYCIGO-ZIAGYGMSSA-N 0 0 310.442 0.269 50 0 DCAARN Cc1csc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000069392566 396077233 /nfs/dbraw/zinc/07/72/33/396077233.db2.gz MTXPCSUPIJUDSX-GFCCVEGCSA-N 0 0 321.406 0.988 50 0 DCAARN O=C(CN1CCO[C@H](Cn2cccn2)C1)NCc1ccccn1 ZINC000069391622 396077373 /nfs/dbraw/zinc/07/73/73/396077373.db2.gz AIAONXMLZZRZPD-HNNXBMFYSA-N 0 0 315.377 0.295 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)CN1CCc2cncnc2C1 ZINC000069463652 396079347 /nfs/dbraw/zinc/07/93/47/396079347.db2.gz KCIOMXKBLYGBLK-UHFFFAOYSA-N 0 0 300.366 0.227 50 0 DCAARN O=C(CNC(=O)c1ccccc1)NCC(=O)Nc1cccnc1 ZINC000069513197 396081284 /nfs/dbraw/zinc/08/12/84/396081284.db2.gz SKNUCJSXXOBPQG-UHFFFAOYSA-N 0 0 312.329 0.566 50 0 DCAARN CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O ZINC000069593377 396083894 /nfs/dbraw/zinc/08/38/94/396083894.db2.gz ZSIJPFKCZFOOOW-UHFFFAOYSA-N 0 0 301.302 0.377 50 0 DCAARN O=C(CCNC(=O)c1cn2cccnc2n1)Nc1ccncc1 ZINC000069600731 396084525 /nfs/dbraw/zinc/08/45/25/396084525.db2.gz JMWGYRZZGWDQPJ-UHFFFAOYSA-N 0 0 310.317 0.883 50 0 DCAARN C[C@@H]1CN(c2cc(N3CCC[C@@H]3C(N)=O)ncn2)C[C@@H](C)O1 ZINC000069632102 396085593 /nfs/dbraw/zinc/08/55/93/396085593.db2.gz NZGBWCATMWNPEU-IJLUTSLNSA-N 0 0 305.382 0.544 50 0 DCAARN CCCC(=O)N1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)COC ZINC000075092811 396175625 /nfs/dbraw/zinc/17/56/25/396175625.db2.gz HUUIXYFWJLQHSS-CHWSQXEVSA-N 0 0 300.399 0.633 50 0 DCAARN O=C(Nc1nnc(C2CC2)s1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000075106496 396175706 /nfs/dbraw/zinc/17/57/06/396175706.db2.gz NQHDMUZPFGHADW-MRVPVSSYSA-N 0 0 308.367 0.657 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 ZINC000075123202 396176589 /nfs/dbraw/zinc/17/65/89/396176589.db2.gz NYAHTWHWUIEFQW-ZCFIWIBFSA-N 0 0 318.255 0.733 50 0 DCAARN CCOC(=O)CCCS(=O)(=O)N[C@H](CC(=O)OC)C1CC1 ZINC000075109596 396176794 /nfs/dbraw/zinc/17/67/94/396176794.db2.gz PPEGPQHPGHZVLZ-LLVKDONJSA-N 0 0 321.395 0.591 50 0 DCAARN Cn1c2ccccc2n(CC(=O)N[C@H]2CCC[C@@H]2C(N)=O)c1=O ZINC000076042445 396191778 /nfs/dbraw/zinc/19/17/78/396191778.db2.gz SUQQTYQBXNKETP-QWRGUYRKSA-N 0 0 316.361 0.110 50 0 DCAARN NC(=O)CN1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000076040273 396191914 /nfs/dbraw/zinc/19/19/14/396191914.db2.gz MRFXQMPSLMRSGJ-UHFFFAOYSA-N 0 0 309.391 0.319 50 0 DCAARN O=C1[C@@H](NCc2nnc3n2CCCC3)CCN1CC(F)(F)F ZINC000076046766 396192707 /nfs/dbraw/zinc/19/27/07/396192707.db2.gz INEHEDYQRWHRTA-VIFPVBQESA-N 0 0 317.315 0.867 50 0 DCAARN CCCc1nnc([C@H]2CN(CCCS(C)(=O)=O)CCO2)[nH]1 ZINC000076049166 396193815 /nfs/dbraw/zinc/19/38/15/396193815.db2.gz GQFHYZBKRJHYAC-LLVKDONJSA-N 0 0 316.427 0.565 50 0 DCAARN CCCc1nnc([C@@H]2CN(CCCS(C)(=O)=O)CCO2)[nH]1 ZINC000076049162 396193858 /nfs/dbraw/zinc/19/38/58/396193858.db2.gz GQFHYZBKRJHYAC-NSHDSACASA-N 0 0 316.427 0.565 50 0 DCAARN CC(=O)N1CCN([C@@H]2CN(Cc3cc(C)on3)C[C@@H]2C)CC1 ZINC000076055504 396194938 /nfs/dbraw/zinc/19/49/38/396194938.db2.gz JTOQIOOWTUCVEZ-BLLLJJGKSA-N 0 0 306.410 0.967 50 0 DCAARN CCCNC(=O)CN1CCC(NC(=O)c2cscn2)CC1 ZINC000263979123 396247276 /nfs/dbraw/zinc/24/72/76/396247276.db2.gz BFOGJXRGDNNIKM-UHFFFAOYSA-N 0 0 310.423 0.864 50 0 DCAARN CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc2c(c1)OCO2 ZINC000078716669 396252529 /nfs/dbraw/zinc/25/25/29/396252529.db2.gz IPLPRBWZVZJIMH-LLVKDONJSA-N 0 0 305.334 0.835 50 0 DCAARN O=C(NCCCN1C(=O)CNC1=O)c1ccc2ccccc2n1 ZINC000078712865 396252652 /nfs/dbraw/zinc/25/26/52/396252652.db2.gz MLDIGXKNXJKLHX-UHFFFAOYSA-N 0 0 312.329 0.907 50 0 DCAARN CCc1nnc([C@@H]2CN(Cc3nc(CCOC)no3)CCO2)[nH]1 ZINC000078892626 396256849 /nfs/dbraw/zinc/25/68/49/396256849.db2.gz ZAHWNONLWTVLTL-JTQLQIEISA-N 0 0 322.369 0.513 50 0 DCAARN C[C@H](C(=O)NCc1ccco1)N1CCc2nn(C)c(=O)cc2C1 ZINC000078931558 396258688 /nfs/dbraw/zinc/25/86/88/396258688.db2.gz WSFWCKVCVUXVBR-LLVKDONJSA-N 0 0 316.361 0.436 50 0 DCAARN Cn1cc([C@@](C)(O)CNC(=O)[C@@H]2COc3ccccc32)cn1 ZINC000078939687 396258831 /nfs/dbraw/zinc/25/88/31/396258831.db2.gz MPXDSTZGCLHVLK-CJNGLKHVSA-N 0 0 301.346 0.920 50 0 DCAARN O=C(CCn1nnc2ccccc21)N1CCOC[C@@H](CO)C1 ZINC000077300083 396218790 /nfs/dbraw/zinc/21/87/90/396218790.db2.gz KCIRIDZDWAVWQO-GFCCVEGCSA-N 0 0 304.350 0.289 50 0 DCAARN CC(C)c1nc(CN(C)C(=O)CN2C(=O)CNC2=O)cs1 ZINC000077377160 396220394 /nfs/dbraw/zinc/22/03/94/396220394.db2.gz DRJJKXIIFQFDQS-UHFFFAOYSA-N 0 0 310.379 0.777 50 0 DCAARN NS(=O)(=O)CCCC(=O)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000077394011 396221542 /nfs/dbraw/zinc/22/15/42/396221542.db2.gz BBJDXMYGHGQNTR-LBPRGKRZSA-N 0 0 314.411 0.190 50 0 DCAARN O=S(=O)(Cc1c(F)cccc1F)NC[C@@]1(O)CCOC1 ZINC000179605312 396228414 /nfs/dbraw/zinc/22/84/14/396228414.db2.gz VRHRRZGASNNIBY-LBPRGKRZSA-N 0 0 307.318 0.536 50 0 DCAARN CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CC(C)(C)OC2(C)C)nn1 ZINC000180575516 396232639 /nfs/dbraw/zinc/23/26/39/396232639.db2.gz WPCZKFPQNYHJGW-NSHDSACASA-N 0 0 323.397 0.442 50 0 DCAARN CN1C[C@@H](NS(=O)(=O)Cc2noc3ccccc23)CCC1=O ZINC000185818707 396334923 /nfs/dbraw/zinc/33/49/23/396334923.db2.gz PWWHHGMWUOUZAQ-JTQLQIEISA-N 0 0 323.374 0.868 50 0 DCAARN COC[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C1CC1 ZINC000187535785 396370859 /nfs/dbraw/zinc/37/08/59/396370859.db2.gz HWSDPPZZKTYRRR-SNVBAGLBSA-N 0 0 309.338 0.852 50 0 DCAARN CN(C)S(=O)(=O)Cc1nc2cc(F)c(F)cc2c(=O)[nH]1 ZINC000190419753 396406368 /nfs/dbraw/zinc/40/63/68/396406368.db2.gz SSBKIIIODWNESV-UHFFFAOYSA-N 0 0 303.290 0.593 50 0 DCAARN O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1cnc[nH]1 ZINC000584886429 396632468 /nfs/dbraw/zinc/63/24/68/396632468.db2.gz LNIWJNXTBFXWDP-UHFFFAOYSA-N 0 0 307.354 0.056 50 0 DCAARN Cn1ncnc1CCNC(=O)c1ccc2c(c1)ncn2CCO ZINC000584890000 396632922 /nfs/dbraw/zinc/63/29/22/396632922.db2.gz OAWDSNALLUJCGX-UHFFFAOYSA-N 0 0 314.349 0.130 50 0 DCAARN O=C(CCn1cnnn1)N1CCCN(C(=O)c2ccoc2)CC1 ZINC000584889767 396633401 /nfs/dbraw/zinc/63/34/01/396633401.db2.gz RCASLSIGKFQONM-UHFFFAOYSA-N 0 0 318.337 0.031 50 0 DCAARN COc1ccc2ncn(CCN(C)S(C)(=O)=O)c(=O)c2c1 ZINC000584887697 396633446 /nfs/dbraw/zinc/63/34/46/396633446.db2.gz MTMCVWUQJREIMT-UHFFFAOYSA-N 0 0 311.363 0.297 50 0 DCAARN CN(CCN1CCOCC1)C(=O)COC[C@@H]1CCCCO1 ZINC000584888069 396633538 /nfs/dbraw/zinc/63/35/38/396633538.db2.gz PDSURAFIDMLUIO-AWEZNQCLSA-N 0 0 300.399 0.363 50 0 DCAARN Cc1cnn([C@H](C)C(=O)N2CCN(Cc3nc[nH]n3)CC2)c1 ZINC000584890387 396633847 /nfs/dbraw/zinc/63/38/47/396633847.db2.gz JOQZWWGXVAUBEM-GFCCVEGCSA-N 0 0 303.370 0.215 50 0 DCAARN CC1(C)SC[C@@H](C(=O)NCc2cc(C3CC3)n[nH]2)NC1=O ZINC000584897702 396635628 /nfs/dbraw/zinc/63/56/28/396635628.db2.gz KTEUCYBWRQKCDX-NSHDSACASA-N 0 0 308.407 0.914 50 0 DCAARN COCc1nc(-c2cccc(N3CCNC3=O)c2)n(CCO)n1 ZINC000584896300 396635691 /nfs/dbraw/zinc/63/56/91/396635691.db2.gz PNHPVZYFQMBVIO-UHFFFAOYSA-N 0 0 317.349 0.613 50 0 DCAARN CCNC(=O)N1CCC(NC(=O)c2cnc(CC)nc2)CC1 ZINC000584898943 396636627 /nfs/dbraw/zinc/63/66/27/396636627.db2.gz NMHNDQJIVGDGDD-UHFFFAOYSA-N 0 0 305.382 0.963 50 0 DCAARN CC(=O)c1c(C)nn(CCC(=O)NCCc2cn[nH]n2)c1C ZINC000584903431 396636854 /nfs/dbraw/zinc/63/68/54/396636854.db2.gz OBKBPCUWJSJGRT-UHFFFAOYSA-N 0 0 304.354 0.570 50 0 DCAARN CCN(Cc1ccncc1)C(=O)NCCN(C)S(C)(=O)=O ZINC000584904014 396637712 /nfs/dbraw/zinc/63/77/12/396637712.db2.gz JUZANXONMPVNMG-UHFFFAOYSA-N 0 0 314.411 0.505 50 0 DCAARN CC(C)c1ccc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC000585140934 396641244 /nfs/dbraw/zinc/64/12/44/396641244.db2.gz NEIBBNGGXVIAFV-CHWSQXEVSA-N 0 0 303.362 0.469 50 0 DCAARN CS(C)(=O)=NC(=O)COC(=O)CN1CCCCCCC1=O ZINC000585136287 396641529 /nfs/dbraw/zinc/64/15/29/396641529.db2.gz ZWABOKCMKWLDID-UHFFFAOYSA-N 0 0 318.395 0.577 50 0 DCAARN CS(=O)(=O)c1c(F)cccc1NCC(=O)N1CCOCC1 ZINC000585137149 396641559 /nfs/dbraw/zinc/64/15/59/396641559.db2.gz KNBJNFWONBGRCZ-UHFFFAOYSA-N 0 0 316.354 0.500 50 0 DCAARN OCCn1[n-]cc2c(=NCC[NH+]3CCCCCC3)ncnc1-2 ZINC000618252121 396940834 /nfs/dbraw/zinc/94/08/34/396940834.db2.gz UDKKPFCEEMRXPO-UHFFFAOYSA-N 0 0 304.398 0.480 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1Cn1nccn1 ZINC000618254723 396942615 /nfs/dbraw/zinc/94/26/15/396942615.db2.gz FACOJTYGJRSXBI-NSHDSACASA-N 0 0 311.367 0.736 50 0 DCAARN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCn1ccnn1 ZINC000347172280 397028164 /nfs/dbraw/zinc/02/81/64/397028164.db2.gz SLXLPZNGUZPSTC-MGPQQGTHSA-N 0 0 308.382 0.711 50 0 DCAARN O=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)N1CCOCC1 ZINC000390825826 397301249 /nfs/dbraw/zinc/30/12/49/397301249.db2.gz GRLWGYXGYOUDRI-LBPRGKRZSA-N 0 0 303.318 0.360 50 0 DCAARN O=C(Cn1cccc1)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000390831233 397303018 /nfs/dbraw/zinc/30/30/18/397303018.db2.gz QPBYUJMNSZEXTF-LBPRGKRZSA-N 0 0 311.349 0.321 50 0 DCAARN Cn1nc(C(=O)NCc2nccnc2-c2ccco2)ccc1=O ZINC000390831047 397303495 /nfs/dbraw/zinc/30/34/95/397303495.db2.gz PHWBTBSLSOUPHP-UHFFFAOYSA-N 0 0 311.301 0.760 50 0 DCAARN Cc1noc([C@@H]2CN(C(=O)[C@@H](C)n3cncn3)CCN2C)n1 ZINC000328979323 159048676 /nfs/dbraw/zinc/04/86/76/159048676.db2.gz XIQZVZHZKASYNW-KOLCDFICSA-N 0 0 305.342 0.046 50 0 DCAARN Cn1cc(CN2CCN(Cc3cccc(F)c3)C(=O)C2)nn1 ZINC000330510129 159183261 /nfs/dbraw/zinc/18/32/61/159183261.db2.gz AULONZACMOZTOR-UHFFFAOYSA-N 0 0 303.341 0.799 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](CO)CC(C)C)C1 ZINC000330580569 159196200 /nfs/dbraw/zinc/19/62/00/159196200.db2.gz RDOYVCGHYWMKLU-CHWSQXEVSA-N 0 0 320.455 0.571 50 0 DCAARN O=C(N[C@H]1CCc2[nH]cnc2C1)[C@H]1COCCN1CC(F)F ZINC000332853348 159215068 /nfs/dbraw/zinc/21/50/68/159215068.db2.gz VPAWGERQCVVEMY-JOYOIKCWSA-N 0 0 314.336 0.349 50 0 DCAARN Cc1nn(C)cc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000407983986 160002768 /nfs/dbraw/zinc/00/27/68/160002768.db2.gz UNTMDBUWWDPYAP-UHFFFAOYSA-N 0 0 314.411 0.130 50 0 DCAARN CN(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000014166863 415150113 /nfs/dbraw/zinc/15/01/13/415150113.db2.gz INCWYQCYIUHLMF-UTUOFQBUSA-N 0 0 312.391 0.014 50 0 DCAARN CCOc1ccccc1/C=c1\sc2nc(=O)c(C)nn2c1=O ZINC000020035404 415152116 /nfs/dbraw/zinc/15/21/16/415152116.db2.gz OLNFKQMJBJKRFN-WQLSENKSSA-N 0 0 315.354 0.766 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)NC(=O)C[C@@H]2c1cc(F)ccc1F ZINC000021366701 415153208 /nfs/dbraw/zinc/15/32/08/415153208.db2.gz JGEDTFPEZHAWQR-SECBINFHSA-N 0 0 321.283 0.836 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)c2cccn2C)c1 ZINC000026021178 415164662 /nfs/dbraw/zinc/16/46/62/415164662.db2.gz RXKLXBGUWMPYNK-UHFFFAOYSA-N 0 0 323.374 0.320 50 0 DCAARN OCCN1CCN(C(=S)NCc2ccc3c(c2)OCO3)CC1 ZINC000025392757 415162384 /nfs/dbraw/zinc/16/23/84/415162384.db2.gz DWAFZNBFTBUXMJ-UHFFFAOYSA-N 0 0 323.418 0.400 50 0 DCAARN CC1(C)Cc2c(sc3c2-c2nnnn2-c2nnnn2-3)CO1 ZINC000000451281 415124239 /nfs/dbraw/zinc/12/42/39/415124239.db2.gz MMQZUBIAOMPWML-UHFFFAOYSA-N 0 0 302.323 0.531 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccccc3Cl)C(=O)[C@]2(C)NN1 ZINC000000174478 415124883 /nfs/dbraw/zinc/12/48/83/415124883.db2.gz RANOWIOEBUKFBJ-YMTOWFKASA-N 0 0 321.720 0.720 50 0 DCAARN CC(C)C(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 ZINC000002137020 415125009 /nfs/dbraw/zinc/12/50/09/415125009.db2.gz HAKDUFPSQDSSCE-UHFFFAOYSA-N 0 0 301.393 0.803 50 0 DCAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCCO ZINC000006971220 415137166 /nfs/dbraw/zinc/13/71/66/415137166.db2.gz BJNNINQJDHWHHX-UHFFFAOYSA-N 0 0 301.393 0.788 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1c1ncnc2sccc21 ZINC000007002783 415137318 /nfs/dbraw/zinc/13/73/18/415137318.db2.gz HTSXGQNUPFJOPB-SECBINFHSA-N 0 0 306.347 0.559 50 0 DCAARN CCNC(=O)[C@H](C)NC(=O)CCn1c2ccccc2oc1=O ZINC000007648880 415141613 /nfs/dbraw/zinc/14/16/13/415141613.db2.gz KODDDEPQCVRUEA-JTQLQIEISA-N 0 0 305.334 0.625 50 0 DCAARN CCCn1c(=O)[nH]nc1SCC(=O)NC[C@@H]1CCCO1 ZINC000009593994 415143449 /nfs/dbraw/zinc/14/34/49/415143449.db2.gz UHGBUUZPKAWWQO-VIFPVBQESA-N 0 0 300.384 0.369 50 0 DCAARN CC(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000009823807 415144692 /nfs/dbraw/zinc/14/46/92/415144692.db2.gz FLGKOKRQYFLJCJ-UHFFFAOYSA-N 0 0 323.360 0.879 50 0 DCAARN CCNC(=O)CN1CCN(Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000025950399 415165135 /nfs/dbraw/zinc/16/51/35/415165135.db2.gz GKDQMMYYXYLZEW-UHFFFAOYSA-N 0 0 323.393 0.628 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1ccncc1 ZINC000027407966 415172315 /nfs/dbraw/zinc/17/23/15/415172315.db2.gz WOHYFBPZZLVBJF-VIFPVBQESA-N 0 0 302.334 0.577 50 0 DCAARN Cc1ccc(CN(C)C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)o1 ZINC000027402269 415173503 /nfs/dbraw/zinc/17/35/03/415173503.db2.gz QTKRLIKNQIDPKR-UHFFFAOYSA-N 0 0 305.334 0.864 50 0 DCAARN CCCc1noc([C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000027775810 415174709 /nfs/dbraw/zinc/17/47/09/415174709.db2.gz RTDVYUDDHCVUJL-MRVPVSSYSA-N 0 0 318.337 0.379 50 0 DCAARN CCOC(=O)CN1c2ccccc2C(=O)N2C[C@H](O)C[C@@H]2C1=O ZINC000036575576 415191631 /nfs/dbraw/zinc/19/16/31/415191631.db2.gz PCXIUDUAIJGXIX-ZWNOBZJWSA-N 0 0 318.329 0.172 50 0 DCAARN CC(=O)N1CCN([C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000036308195 415190541 /nfs/dbraw/zinc/19/05/41/415190541.db2.gz SDPBIROGPWJYDZ-LBPRGKRZSA-N 0 0 324.425 0.698 50 0 DCAARN C[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000042535749 415213003 /nfs/dbraw/zinc/21/30/03/415213003.db2.gz JESBOMOVLKLFAM-NEPJUHHUSA-N 0 0 314.411 0.202 50 0 DCAARN Cc1nc2ncnn2c(C)c1CCC(=O)N1CCOC[C@@H]1C ZINC000044912647 415232322 /nfs/dbraw/zinc/23/23/22/415232322.db2.gz AEKUQVSLCQXXKK-JTQLQIEISA-N 0 0 303.366 0.921 50 0 DCAARN O=S(=O)(NCc1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000044896174 415232581 /nfs/dbraw/zinc/23/25/81/415232581.db2.gz HGZBYWBDDRUZNQ-UHFFFAOYSA-N 0 0 314.363 0.124 50 0 DCAARN C[C@H](CNS(=O)(=O)N1CCOCC1)N(C)c1ccccc1 ZINC000044936219 415235563 /nfs/dbraw/zinc/23/55/63/415235563.db2.gz GBBZYTQHZPZJSX-CYBMUJFWSA-N 0 0 313.423 0.678 50 0 DCAARN C[C@@H](C(=O)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1F ZINC000044948305 415235671 /nfs/dbraw/zinc/23/56/71/415235671.db2.gz YRCWIIFOFVJZGZ-VIFPVBQESA-N 0 0 319.329 0.986 50 0 DCAARN O=C(CS(=O)(=O)c1nnc2ccccn21)NC1CCCCC1 ZINC000044948142 415235844 /nfs/dbraw/zinc/23/58/44/415235844.db2.gz ZUSBECMYWXOKHO-UHFFFAOYSA-N 0 0 322.390 0.952 50 0 DCAARN CN(CC(N)=O)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000044936203 415236530 /nfs/dbraw/zinc/23/65/30/415236530.db2.gz RASQQLVGICYMPH-UHFFFAOYSA-N 0 0 312.269 0.691 50 0 DCAARN CC(C)c1noc(CCCC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 ZINC000044939317 415236769 /nfs/dbraw/zinc/23/67/69/415236769.db2.gz DTDKLWLYUWAJBD-SNVBAGLBSA-N 0 0 315.395 0.819 50 0 DCAARN COCCN(C(=O)NC1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000044967562 415237590 /nfs/dbraw/zinc/23/75/90/415237590.db2.gz WJNVKQUNYORJCF-UHFFFAOYSA-N 0 0 319.427 0.231 50 0 DCAARN C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1ccccn1 ZINC000044949994 415239965 /nfs/dbraw/zinc/23/99/65/415239965.db2.gz TYKQQQXTLXXLIE-NSHDSACASA-N 0 0 314.411 0.723 50 0 DCAARN O=C(NCc1ccoc1)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000044967825 415240555 /nfs/dbraw/zinc/24/05/55/415240555.db2.gz HTVQNXXMENSRCR-HUUCEWRRSA-N 0 0 323.393 0.816 50 0 DCAARN C[C@H]1CN(CCNC(=O)NCCCn2cccn2)C[C@H](C)O1 ZINC000044953777 415240586 /nfs/dbraw/zinc/24/05/86/415240586.db2.gz QXFFAOMCXKEKEF-KBPBESRZSA-N 0 0 309.414 0.682 50 0 DCAARN C[C@@H](C(=O)NCc1ccc(Cn2ccnc2)cc1)S(C)(=O)=O ZINC000044955429 415240686 /nfs/dbraw/zinc/24/06/86/415240686.db2.gz WUCDGBJYCDGBIY-LBPRGKRZSA-N 0 0 321.402 0.981 50 0 DCAARN C[C@H](CNC(=O)c1ccccc1OCC(N)=O)N1CCOCC1 ZINC000046268753 415258524 /nfs/dbraw/zinc/25/85/24/415258524.db2.gz KUZZNAKDWUAQCG-GFCCVEGCSA-N 0 0 321.377 0.001 50 0 DCAARN O=C(Nc1nncs1)N[C@@H]1CCCc2c1cnn2CCO ZINC000047125430 415265388 /nfs/dbraw/zinc/26/53/88/415265388.db2.gz VOSQHFCOWXDBPN-SECBINFHSA-N 0 0 308.367 0.926 50 0 DCAARN CN(Cc1ccncc1)C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000047632267 415273302 /nfs/dbraw/zinc/27/33/02/415273302.db2.gz AQHHNHACWSKYNL-CYBMUJFWSA-N 0 0 311.407 0.854 50 0 DCAARN O=C(CCn1nnc2ccccc2c1=O)NCCc1ccncc1 ZINC000044451379 415220608 /nfs/dbraw/zinc/22/06/08/415220608.db2.gz NMKOZTWXGKGWFI-UHFFFAOYSA-N 0 0 323.356 0.936 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H](C(=O)NOCc2ccccc2)C1 ZINC000044375700 415222933 /nfs/dbraw/zinc/22/29/33/415222933.db2.gz CIKUBMZLBVSRPD-CYBMUJFWSA-N 0 0 312.391 0.906 50 0 DCAARN CN(Cc1ccc(C(N)=O)cc1)S(=O)(=O)N1CCCCC1 ZINC000044783747 415225679 /nfs/dbraw/zinc/22/56/79/415225679.db2.gz YSCQXHJMVVHKHT-UHFFFAOYSA-N 0 0 311.407 0.948 50 0 DCAARN COCCNC(=O)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 ZINC000044889825 415229617 /nfs/dbraw/zinc/22/96/17/415229617.db2.gz HBKPNGYSJVSMPA-UHFFFAOYSA-N 0 0 304.306 0.746 50 0 DCAARN COc1ccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cn1 ZINC000044893417 415229721 /nfs/dbraw/zinc/22/97/21/415229721.db2.gz IPRHVJQMLLKKRE-UHFFFAOYSA-N 0 0 304.306 0.347 50 0 DCAARN CC[C@](C)(CNC(=O)NCCn1ccnc1)N1CCOCC1 ZINC000048286944 415286958 /nfs/dbraw/zinc/28/69/58/415286958.db2.gz LNJRRDDRDOZGAP-OAHLLOKOSA-N 0 0 309.414 0.683 50 0 DCAARN CCN(C[C@H]1CCOC1)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000048263325 415287797 /nfs/dbraw/zinc/28/77/97/415287797.db2.gz LCWZZGRGWWJDMH-GFCCVEGCSA-N 0 0 318.439 0.543 50 0 DCAARN CNC(=O)NC(=O)CCSc1nncn1Cc1ccco1 ZINC000048325099 415291092 /nfs/dbraw/zinc/29/10/92/415291092.db2.gz UAPLAOODEIWVJY-UHFFFAOYSA-N 0 0 309.351 0.857 50 0 DCAARN Cc1nn(C)c(Cl)c1S(=O)(=O)N(CC(N)=O)CC(C)C ZINC000049240885 415303824 /nfs/dbraw/zinc/30/38/24/415303824.db2.gz UFOUJNZPQCMOMO-UHFFFAOYSA-N 0 0 322.818 0.514 50 0 DCAARN CC(C)Sc1ncccc1C(=O)NCCCS(N)(=O)=O ZINC000049342225 415305102 /nfs/dbraw/zinc/30/51/02/415305102.db2.gz BWFZXVDBNAJXQA-UHFFFAOYSA-N 0 0 317.436 0.991 50 0 DCAARN CNC(=O)CN1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2)CC1 ZINC000060782660 415346290 /nfs/dbraw/zinc/34/62/90/415346290.db2.gz OSFMKBWMNFKDFX-AWEZNQCLSA-N 0 0 319.405 0.653 50 0 DCAARN Cc1cc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)n(C)n1 ZINC000071841505 415407896 /nfs/dbraw/zinc/40/78/96/415407896.db2.gz PBSOYLSTDXJTME-LBPRGKRZSA-N 0 0 318.352 0.942 50 0 DCAARN COCCN1CCN(CC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000071793550 415409255 /nfs/dbraw/zinc/40/92/55/415409255.db2.gz DCCBTJVRZRJOMT-UHFFFAOYSA-N 0 0 324.450 0.834 50 0 DCAARN COC[C@@H]1CN(C(=O)CN2Cc3ccccc3C2=O)C[C@@H](C)O1 ZINC000276027627 415416452 /nfs/dbraw/zinc/41/64/52/415416452.db2.gz PRUONRJXJRWDFM-OCCSQVGLSA-N 0 0 318.373 0.905 50 0 DCAARN Cn1c(=O)cc(C(=O)N2CCC(O)(CO)CC2)c2ccccc21 ZINC000067834208 415387000 /nfs/dbraw/zinc/38/70/00/415387000.db2.gz KSLPXLKBWGAYAE-UHFFFAOYSA-N 0 0 316.357 0.498 50 0 DCAARN Cc1noc(Cl)c1CC(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000075131259 415437138 /nfs/dbraw/zinc/43/71/38/415437138.db2.gz XFIGNLPBXXJWOZ-SECBINFHSA-N 0 0 301.774 0.704 50 0 DCAARN C[C@@H]1CN(C(=O)CN2CCC(N3CCN(C)C3=O)CC2)CCO1 ZINC000075131499 415437282 /nfs/dbraw/zinc/43/72/82/415437282.db2.gz CCVYHBIOYDPFTK-CYBMUJFWSA-N 0 0 324.425 0.066 50 0 DCAARN CSCC[C@](C)(O)CNC(=O)C(=O)Nc1cc(C)on1 ZINC000075157608 415437731 /nfs/dbraw/zinc/43/77/31/415437731.db2.gz QLXLAZFVXNPJAW-LBPRGKRZSA-N 0 0 301.368 0.542 50 0 DCAARN COc1ccccc1CNC(=O)C(=O)NC[C@H](O)c1ccoc1 ZINC000075171954 415443162 /nfs/dbraw/zinc/44/31/62/415443162.db2.gz INHCSHTZAZFDJN-ZDUSSCGKSA-N 0 0 318.329 0.754 50 0 DCAARN CCC(=O)N1CCC[C@H](C(=O)NCc2nnc3n2CCCC3)C1 ZINC000095379744 415557396 /nfs/dbraw/zinc/55/73/96/415557396.db2.gz QKYXNDQMEIFGES-LBPRGKRZSA-N 0 0 319.409 0.879 50 0 DCAARN CCN(C)C(=O)Cn1nc(C(=O)OC)c2ccccc2c1=O ZINC000095943795 415564786 /nfs/dbraw/zinc/56/47/86/415564786.db2.gz XXFGZQTYWFFSIP-UHFFFAOYSA-N 0 0 303.318 0.661 50 0 DCAARN CN1C[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1=O ZINC000095956343 415565139 /nfs/dbraw/zinc/56/51/39/415565139.db2.gz YFHUAEIPKAVAMS-KGLIPLIRSA-N 0 0 315.373 0.382 50 0 DCAARN CCCOc1ccc(N2C(=O)C[C@@H](NCC(=O)OC)C2=O)cc1 ZINC000095531880 415565556 /nfs/dbraw/zinc/56/55/56/415565556.db2.gz HRJRNNXQTOYKSZ-CYBMUJFWSA-N 0 0 320.345 0.870 50 0 DCAARN CN(CC(=O)Nc1cccc2c1OCCC2=O)S(C)(=O)=O ZINC000096002248 415566794 /nfs/dbraw/zinc/56/67/94/415566794.db2.gz STNBIECQTRZPOP-UHFFFAOYSA-N 0 0 312.347 0.482 50 0 DCAARN CCOC(=O)[C@H](CNC(=O)C(C)(CO)CO)Cc1ccccc1 ZINC000095976467 415567992 /nfs/dbraw/zinc/56/79/92/415567992.db2.gz LFCWGFQVQHJLGC-AWEZNQCLSA-N 0 0 323.389 0.516 50 0 DCAARN Cn1c(CNC(=O)NC[C@H]2CCCO2)nc2ccccc2c1=O ZINC000096013227 415571269 /nfs/dbraw/zinc/57/12/69/415571269.db2.gz XBMGRXYITPESLX-LLVKDONJSA-N 0 0 316.361 0.912 50 0 DCAARN Cc1oncc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000096025860 415571434 /nfs/dbraw/zinc/57/14/34/415571434.db2.gz FBXQDJKLKGNTRE-UHFFFAOYSA-N 0 0 301.368 0.384 50 0 DCAARN COCCNC(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000096025407 415573616 /nfs/dbraw/zinc/57/36/16/415573616.db2.gz JOBVLHJVQCTZMN-ZDUSSCGKSA-N 0 0 312.391 0.891 50 0 DCAARN CN(Cc1ccco1)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000103349791 415617442 /nfs/dbraw/zinc/61/74/42/415617442.db2.gz BGYOQMNWBNNLJJ-SREVYHEPSA-N 0 0 303.318 0.349 50 0 DCAARN O=C(/C=C\c1ccco1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 ZINC000096292593 415576983 /nfs/dbraw/zinc/57/69/83/415576983.db2.gz LVIZBKQVMYUBEC-QJTIAFMVSA-N 0 0 324.402 0.670 50 0 DCAARN O=C(CN[C@H](CO)c1cc(F)c(F)c(F)c1)N1CCOCC1 ZINC000097081983 415580454 /nfs/dbraw/zinc/58/04/54/415580454.db2.gz DTZTXMSSSZQARR-GFCCVEGCSA-N 0 0 318.295 0.586 50 0 DCAARN Cn1cc(CN2CCn3c(nn(C)c3=O)C2)c(-c2ccccc2)n1 ZINC000097034006 415582171 /nfs/dbraw/zinc/58/21/71/415582171.db2.gz XAENDKPBQHORLH-UHFFFAOYSA-N 0 0 324.388 0.998 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCN1CC(F)(F)F ZINC000096486081 415582269 /nfs/dbraw/zinc/58/22/69/415582269.db2.gz LEKPLBJWDRZMGE-MNOVXSKESA-N 0 0 309.332 0.412 50 0 DCAARN C[N@@H+]1CCN2CCN(Cc3ccc(OCC(=O)[O-])cc3)C[C@@H]2C1 ZINC000097360132 415585917 /nfs/dbraw/zinc/58/59/17/415585917.db2.gz BHTXRWJKDPQNNE-HNNXBMFYSA-N 0 0 319.405 0.582 50 0 DCAARN CC(C)(C)c1cc(CNC(=O)c2c[nH]nc2-n2cnnn2)[nH]n1 ZINC000299758668 416064604 /nfs/dbraw/zinc/06/46/04/416064604.db2.gz LSOFEOBGNUPONC-UHFFFAOYSA-N 0 0 315.341 0.336 50 0 DCAARN COCCn1cnnc1CCNC(=O)c1ccc(O)c(C)c1 ZINC000299767394 416066141 /nfs/dbraw/zinc/06/61/41/416066141.db2.gz RHJSRYGWRWVMII-UHFFFAOYSA-N 0 0 304.350 0.911 50 0 DCAARN CSCC[C@H](O)C(=O)NCCn1ncc2ccccc2c1=O ZINC000299768027 416066298 /nfs/dbraw/zinc/06/62/98/416066298.db2.gz FBLSQNLWXMUAQY-ZDUSSCGKSA-N 0 0 321.402 0.627 50 0 DCAARN COCCCn1cnnc1CNC(=O)c1ncc(F)cc1F ZINC000299780908 416067101 /nfs/dbraw/zinc/06/71/01/416067101.db2.gz CZHIIYJEWPNIIP-UHFFFAOYSA-N 0 0 311.292 0.918 50 0 DCAARN CCOCC(=O)N1CCC(C(=O)N(C)Cc2ncc[nH]2)CC1 ZINC000299777326 416067204 /nfs/dbraw/zinc/06/72/04/416067204.db2.gz JSBMOZUPJVKXAU-UHFFFAOYSA-N 0 0 308.382 0.643 50 0 DCAARN CNC(=O)c1[nH]nc2c1CN(C(=O)[C@@]1(C)CC(C)=NO1)CC2 ZINC000299784585 416067886 /nfs/dbraw/zinc/06/78/86/416067886.db2.gz KAHXPJWPVJQIGY-CQSZACIVSA-N 0 0 305.338 0.209 50 0 DCAARN CC(C)n1cnnc1[C@@H](C)NC(=O)c1ccn2nnnc2c1 ZINC000299791866 416069231 /nfs/dbraw/zinc/06/92/31/416069231.db2.gz GBQHDTQWKDHWPM-SECBINFHSA-N 0 0 300.326 0.788 50 0 DCAARN CCOCC(=O)N1CCC(C(=O)NCc2c(C)n[nH]c2C)CC1 ZINC000299791638 416069593 /nfs/dbraw/zinc/06/95/93/416069593.db2.gz DXRNAZMWHFSNJM-UHFFFAOYSA-N 0 0 322.409 0.918 50 0 DCAARN CN(Cc1cc(C2CC2)on1)C(=O)[C@H]1CCC(=O)NC(=O)N1 ZINC000299787878 416069980 /nfs/dbraw/zinc/06/99/80/416069980.db2.gz YKJZAWQFXBLKKU-SNVBAGLBSA-N 0 0 306.322 0.499 50 0 DCAARN Cc1ccc(S(N)(=O)=O)cc1NC(=O)NC[C@H]1CCOC1 ZINC000299801620 416070643 /nfs/dbraw/zinc/07/06/43/416070643.db2.gz XOJCZUAZTKNKJR-SNVBAGLBSA-N 0 0 313.379 0.800 50 0 DCAARN Cn1c(CCNC(=O)CN2CCC[C@@H](O)C2)nc2ccccc21 ZINC000299796297 416070834 /nfs/dbraw/zinc/07/08/34/416070834.db2.gz PDJVRFTXZSIQKP-CYBMUJFWSA-N 0 0 316.405 0.689 50 0 DCAARN Cc1nn(CC(=O)NCCSc2nnnn2C)cc1Cl ZINC000299798075 416071181 /nfs/dbraw/zinc/07/11/81/416071181.db2.gz OYNKSSNUMAQIGG-UHFFFAOYSA-N 0 0 315.790 0.277 50 0 DCAARN COc1cccc([C@@H]2[C@H](NS(N)(=O)=O)CCN2C2CC2)c1 ZINC000179902099 416194584 /nfs/dbraw/zinc/19/45/84/416194584.db2.gz LQFMNAMRHRCFDC-ZIAGYGMSSA-N 0 0 311.407 0.766 50 0 DCAARN CCCN1C(=O)N[C@@H](CC(=O)NCCn2cnc(C)c2C)C1=O ZINC000215654503 416327294 /nfs/dbraw/zinc/32/72/94/416327294.db2.gz RFDYNKJPLGLPSQ-LBPRGKRZSA-N 0 0 321.381 0.337 50 0 DCAARN Cc1ccc(O[C@H]2CCN(C(=O)N3CCN(C)CC3)C2)nn1 ZINC000225430882 416327744 /nfs/dbraw/zinc/32/77/44/416327744.db2.gz DSERQNZFCZZSIY-ZDUSSCGKSA-N 0 0 305.382 0.606 50 0 DCAARN Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)nn1 ZINC000225430138 416327811 /nfs/dbraw/zinc/32/78/11/416327811.db2.gz LPWGGPBATOJLHK-VXGBXAGGSA-N 0 0 304.350 0.243 50 0 DCAARN C[C@@H]1CN(C)CCN1C(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000241739077 416330364 /nfs/dbraw/zinc/33/03/64/416330364.db2.gz QZTKECFGRSZEQT-KGLIPLIRSA-N 0 0 303.410 0.856 50 0 DCAARN CC(C)c1nnc(CN2CCN(c3cnn(C)c(=O)c3)CC2)o1 ZINC000244605599 416330513 /nfs/dbraw/zinc/33/05/13/416330513.db2.gz FBNPERMRSPDIKE-UHFFFAOYSA-N 0 0 318.381 0.609 50 0 DCAARN CC(C)n1cnnc1CN(C)CCCS(=O)(=O)N(C)C ZINC000244691857 416330623 /nfs/dbraw/zinc/33/06/23/416330623.db2.gz JKFGLWFXAOLBOB-UHFFFAOYSA-N 0 0 303.432 0.572 50 0 DCAARN Cn1cc([C@H](NC(=O)c2cc(CO)ccn2)[C@H]2C[C@H](O)C2)cn1 ZINC000244723473 416330965 /nfs/dbraw/zinc/33/09/65/416330965.db2.gz MCFCAKNNBRQMOM-UXIGCNINSA-N 0 0 316.361 0.549 50 0 DCAARN CN(C[C@H]1Cc2ccccc2O1)C(=O)NCCc1nc(N)n[nH]1 ZINC000534653768 416507765 /nfs/dbraw/zinc/50/77/65/416507765.db2.gz ULLRASXISHFBAK-LLVKDONJSA-N 0 0 316.365 0.575 50 0 DCAARN CN1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)[C@H](CO)C1 ZINC000585115363 416517927 /nfs/dbraw/zinc/51/79/27/416517927.db2.gz XRRVPAWYAPNLFR-NSHDSACASA-N 0 0 322.789 0.776 50 0 DCAARN C[C@H](NS(=O)(=O)c1cccc2c1OCC2)C1N=NC(=O)N1C ZINC000585114443 416518797 /nfs/dbraw/zinc/51/87/97/416518797.db2.gz ADUQHMNBDVJRQH-QMMMGPOBSA-N 0 0 324.362 0.495 50 0 DCAARN COCCc1nc(CNc2cc([C@@H]3CCOC3)nc(C)n2)no1 ZINC000426386991 416763243 /nfs/dbraw/zinc/76/32/43/416763243.db2.gz XPIPXNAOBYFZRL-LLVKDONJSA-N 0 0 319.365 1.473 50 0 DCAARN O=C(c1c(F)cccc1F)N1CCC2(CC1)NC(=O)NC2=O ZINC000017149694 304477465 /nfs/dbraw/zinc/47/74/65/304477465.db2.gz WFQQJYPIGCGNRV-UHFFFAOYSA-N 0 0 309.272 0.779 50 0 DCAARN O=C(Nc1ccon1)C1CN(c2cc(-n3ccnc3)ncn2)C1 ZINC000575607378 417538646 /nfs/dbraw/zinc/53/86/46/417538646.db2.gz BZHOZQXTUNLUST-UHFFFAOYSA-N 0 0 311.305 0.725 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)c2ocnc2C)C[C@H]1c1nnc(C)[nH]1 ZINC000575543743 417540214 /nfs/dbraw/zinc/54/02/14/417540214.db2.gz DRFKUXOTXHHZSK-NXEZZACHSA-N 0 0 318.337 0.011 50 0 DCAARN O=C(Cc1ccc2c(c1)OCO2)NCCOCCn1cccn1 ZINC000575620137 417541153 /nfs/dbraw/zinc/54/11/53/417541153.db2.gz PVWSAEOLXBDADB-UHFFFAOYSA-N 0 0 317.345 0.987 50 0 DCAARN O=C(NCCn1cc(-c2ccncc2)cn1)N1CCNC1=O ZINC000575613048 417541385 /nfs/dbraw/zinc/54/13/85/417541385.db2.gz UBSHZMTYELWBCB-UHFFFAOYSA-N 0 0 300.322 0.680 50 0 DCAARN O=S(=O)(NC1CC(CO)C1)c1cccc2c1OCCCO2 ZINC000660146461 418236910 /nfs/dbraw/zinc/23/69/10/418236910.db2.gz WQWUOWBYROIAGT-UHFFFAOYSA-N 0 0 313.375 0.897 50 0 DCAARN O=C(Cn1ncnn1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000299785724 229441167 /nfs/dbraw/zinc/44/11/67/229441167.db2.gz LKRKJUPRIRJWOS-UHFFFAOYSA-N 0 0 314.349 0.226 50 0 DCAARN Cc1cc2c(N3CCN(Cc4nnc(C)[nH]4)CC3)nccn2n1 ZINC000302487782 230267358 /nfs/dbraw/zinc/26/73/58/230267358.db2.gz SENMHFFIGHUPRQ-UHFFFAOYSA-N 0 0 312.381 0.786 50 0 DCAARN CC(C)(C)OC(=O)[C@@H]1[C@H](C(=O)N[C@]2(CO)CCOC2)C1(C)C ZINC000413688905 262221411 /nfs/dbraw/zinc/22/14/11/262221411.db2.gz PPDIUJKQDLZSGF-GDLVEWKHSA-N 0 0 313.394 0.868 50 0 DCAARN CC1=NN(C2=NNC(=N)Cc3ncnn32)[C@H](C(F)(F)F)C1 ZINC000005243246 276186503 /nfs/dbraw/zinc/18/65/03/276186503.db2.gz XYXPKVTYVVLULE-LURJTMIESA-N 0 0 300.248 0.533 50 0 DCAARN CCO[C@@H]1C[C@H](N2CCN(C(=O)C(=O)NC3CC3)CC2)C1(C)C ZINC000095457044 276350562 /nfs/dbraw/zinc/35/05/62/276350562.db2.gz PBBMIRPCSWACDX-UONOGXRCSA-N 0 0 323.437 0.613 50 0 DCAARN CCO[C@H]1OCCn2c(=O)n(C)c(=O)c(Br)c21 ZINC000000385716 276491281 /nfs/dbraw/zinc/49/12/81/276491281.db2.gz HMXNVNFNCJGEMY-VIFPVBQESA-N 0 0 305.128 0.375 50 0 DCAARN CN1N=C(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CCC1=O ZINC000032836822 276990522 /nfs/dbraw/zinc/99/05/22/276990522.db2.gz NGYNFVYARGPPAB-ZDUSSCGKSA-N 0 0 314.345 0.033 50 0 DCAARN CNC(=O)[C@H]1Cc2ccccc2CN1C[C@@H](O)Cn1cccn1 ZINC000229244850 277254175 /nfs/dbraw/zinc/25/41/75/277254175.db2.gz STSUXZNYKFNJBX-HZPDHXFCSA-N 0 0 314.389 0.417 50 0 DCAARN CC(C)[C@@H](NCc1cn(C(C)C)nn1)C(=O)N1CCOCC1 ZINC000328593448 277760799 /nfs/dbraw/zinc/76/07/99/277760799.db2.gz RBGGVMIXFCSEQM-CQSZACIVSA-N 0 0 309.414 0.832 50 0 DCAARN CC(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cnn(C)c1 ZINC000077338558 278117064 /nfs/dbraw/zinc/11/70/64/278117064.db2.gz SRJNZKVVJLXDMM-GFCCVEGCSA-N 0 0 314.411 0.490 50 0 DCAARN C[C@H]1c2cc(F)ccc2CCN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000095405602 278544813 /nfs/dbraw/zinc/54/48/13/278544813.db2.gz RZXSONPPPRJQSX-ZETCQYMHSA-N 0 0 318.308 0.956 50 0 DCAARN CCc1nnc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)s1 ZINC000016695296 288654008 /nfs/dbraw/zinc/65/40/08/288654008.db2.gz OYCKWZYNUFIOGV-ZDUSSCGKSA-N 0 0 323.378 0.760 50 0 DCAARN C[C@@H]1c2cc(S(=O)(=O)N3CCOCC3)ccc2N(C)C1=O ZINC000100217912 289070286 /nfs/dbraw/zinc/07/02/86/289070286.db2.gz QKTYOSJQRPFJGF-SNVBAGLBSA-N 0 0 310.375 0.787 50 0 DCAARN CN(CCCNC(=O)c1cccc2c[nH]nc21)S(C)(=O)=O ZINC000048275043 289627765 /nfs/dbraw/zinc/62/77/65/289627765.db2.gz XQGMFEPOONPDCG-UHFFFAOYSA-N 0 0 310.379 0.574 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000069899356 290107951 /nfs/dbraw/zinc/10/79/51/290107951.db2.gz AWKBUITWWKKJDP-KBPBESRZSA-N 0 0 323.437 0.303 50 0 DCAARN Cn1cc(N2CC[C@@H](N3C(=O)N4CCC[C@]4(C)C3=O)C2)cn1 ZINC000328587099 294250936 /nfs/dbraw/zinc/25/09/36/294250936.db2.gz YEHNBFZJESWPTC-IAQYHMDHSA-N 0 0 303.366 0.816 50 0 DCAARN COc1ccc2c(c1)CCC[C@]21NC(=O)N(CC(N)=O)C1=O ZINC000003305290 295259810 /nfs/dbraw/zinc/25/98/10/295259810.db2.gz IVJWJDDAMODEJK-HNNXBMFYSA-N 0 0 303.318 0.264 50 0 DCAARN Nc1ccc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)cn1 ZINC000299801755 295351416 /nfs/dbraw/zinc/35/14/16/295351416.db2.gz XRCQIMHTACBVQO-NWDGAFQWSA-N 0 0 300.322 0.241 50 0 DCAARN Nc1nccc(N2C[C@@H]3C[N@@H+](C4CCCC4)C[C@]3(C(=O)[O-])C2)n1 ZINC000096135760 295371618 /nfs/dbraw/zinc/37/16/18/295371618.db2.gz MOFCUUNKKPHJKO-ZBEGNZNMSA-N 0 0 317.393 0.824 50 0 DCAARN O=C1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CCN1 ZINC000003444072 304639979 /nfs/dbraw/zinc/63/99/79/304639979.db2.gz GVUYYZWLSFEMFT-UHFFFAOYSA-N 0 0 308.281 0.826 50 0 DCAARN C[C@H]1CN(C(=O)C2(NS(C)(=O)=O)CCCCC2)C[C@H](C)O1 ZINC000057180217 300111997 /nfs/dbraw/zinc/11/19/97/300111997.db2.gz AYESOIWWEGOLEQ-RYUDHWBXSA-N 0 0 318.439 0.874 50 0 DCAARN Cc1cc(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)no1 ZINC000044916315 301133211 /nfs/dbraw/zinc/13/32/11/301133211.db2.gz HGQQYMZWOJBROP-OCCSQVGLSA-N 0 0 309.366 0.450 50 0 DCAARN Cc1cc(NC(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)no1 ZINC000040490223 301353643 /nfs/dbraw/zinc/35/36/43/301353643.db2.gz AYAYZHWFEUAKPJ-QWHCGFSZSA-N 0 0 324.381 0.842 50 0 DCAARN Cc1cccc2[nH]c(CN(C)C(=O)[C@@H](C)NS(C)(=O)=O)nc21 ZINC000244873299 302069843 /nfs/dbraw/zinc/06/98/43/302069843.db2.gz WNQDZCQNGZLKRX-SNVBAGLBSA-N 0 0 324.406 0.767 50 0 DCAARN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000040527821 302871631 /nfs/dbraw/zinc/87/16/31/302871631.db2.gz IFEDXTDXMFFEKD-YUMQZZPRSA-N 0 0 316.379 0.793 50 0 DCAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC1=NCCS1 ZINC000008269880 303599123 /nfs/dbraw/zinc/59/91/23/303599123.db2.gz YSQHNXVGBAELOX-UHFFFAOYSA-N 0 0 310.379 0.460 50 0 DCAARN CC(C)n1nccc1NC(=O)NC1CCN(CC(N)=O)CC1 ZINC000043451364 331695250 /nfs/dbraw/zinc/69/52/50/331695250.db2.gz QVRASQNOWRSNDV-UHFFFAOYSA-N 0 0 308.386 0.535 50 0 DCAARN COC1CCN(S(=O)(=O)NCCc2nc(C)cs2)CC1 ZINC000534584097 334288172 /nfs/dbraw/zinc/28/81/72/334288172.db2.gz MNBRMCSKKMJAQO-UHFFFAOYSA-N 0 0 319.452 0.939 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)c1ccccc1-c1nc[nH]n1 ZINC000534589586 334293843 /nfs/dbraw/zinc/29/38/43/334293843.db2.gz QQSCIJJMEOXEBS-LBPRGKRZSA-N 0 0 315.377 0.922 50 0 DCAARN Cn1cnnc1CCC(=O)NC1(CN2CCOCC2)CCCC1 ZINC000534646551 334306432 /nfs/dbraw/zinc/30/64/32/334306432.db2.gz LJIOKZOSBPUKDL-UHFFFAOYSA-N 0 0 321.425 0.509 50 0 DCAARN Cc1cccc2[nH]c(CNS(=O)(=O)N3CCN(C)CC3)nc21 ZINC000534649345 334317087 /nfs/dbraw/zinc/31/70/87/334317087.db2.gz IUFLBOPNWHHVPG-UHFFFAOYSA-N 0 0 323.422 0.453 50 0 DCAARN COC(=O)[C@H](CO)NC(=O)[C@H](c1ccc(Cl)cc1)N(C)C ZINC000583640941 336012625 /nfs/dbraw/zinc/01/26/25/336012625.db2.gz ZILZULLXOYEWOH-RYUDHWBXSA-N 0 0 314.769 0.593 50 0 DCAARN CC(CO)(CO)NC(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000097098075 337382132 /nfs/dbraw/zinc/38/21/32/337382132.db2.gz WYAIGSYMFGJLRZ-UHFFFAOYSA-N 0 0 307.325 0.413 50 0 DCAARN Cc1c(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)cnn1C ZINC000133711615 337383247 /nfs/dbraw/zinc/38/32/47/337383247.db2.gz QZLQTYLNZMHSSL-UHFFFAOYSA-N 0 0 319.409 0.882 50 0 DCAARN COC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1cn[nH]c1 ZINC000176472747 337383610 /nfs/dbraw/zinc/38/36/10/337383610.db2.gz HQGMPMRFBPCBTH-UHFFFAOYSA-N 0 0 313.310 0.917 50 0 DCAARN Cc1ccccc1Cc1nnn(CC(=O)NC[C@H]2CCCO2)n1 ZINC000153258800 534818991 /nfs/dbraw/zinc/81/89/91/534818991.db2.gz NIOFJCNDISYGMU-CQSZACIVSA-N 0 0 315.377 0.868 50 0 DCAARN CC(C)n1ncc2c1C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)CC2 ZINC000330835343 528655399 /nfs/dbraw/zinc/65/53/99/528655399.db2.gz WLTIZDAYUARVBY-PWSUYJOCSA-N 0 0 313.423 0.871 50 0 DCAARN C[NH+]1CCN(c2ccc(N3CCC[C@H](C(=O)[O-])C3)nn2)CC1 ZINC000032918893 536422277 /nfs/dbraw/zinc/42/22/77/536422277.db2.gz ZBFFJMBFCYICDH-LBPRGKRZSA-N 0 0 305.382 0.529 50 0 DCAARN CCn1c(N2CCC[C@H](C(=O)NC3CC3)C2)cc(=O)n(C)c1=O ZINC000035513399 545644141 /nfs/dbraw/zinc/64/41/41/545644141.db2.gz WYAQMFFJXQZOPD-NSHDSACASA-N 0 0 320.393 0.062 50 0 DCAARN NC(=O)c1cccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000084364151 545700327 /nfs/dbraw/zinc/70/03/27/545700327.db2.gz AWSMWFULVFWJMK-LSDHHAIUSA-N 0 0 317.389 0.457 50 0 DCAARN Cn1ncnc1CCNC(=O)[C@H]1CCCN(c2ccccn2)C1 ZINC000087448821 545708655 /nfs/dbraw/zinc/70/86/55/545708655.db2.gz NHDGVCZTRSUOIT-ZDUSSCGKSA-N 0 0 314.393 0.785 50 0 DCAARN COc1ccc(S(=O)(=O)N2CC[C@@H](n3ccnn3)C2)cc1 ZINC000206935858 545936252 /nfs/dbraw/zinc/93/62/52/545936252.db2.gz ORYBFHWUWRZRPN-LLVKDONJSA-N 0 0 308.363 0.922 50 0 DCAARN CCn1cc(CNC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cn1 ZINC000332891123 546064721 /nfs/dbraw/zinc/06/47/21/546064721.db2.gz UEPQQZHFWACTCI-RBSFLKMASA-N 0 0 322.409 0.974 50 0 DCAARN CCc1nc(S(=O)(=O)N2CCO[C@@H](CCOC)C2)c[nH]1 ZINC000670439954 547090779 /nfs/dbraw/zinc/09/07/79/547090779.db2.gz KYLIFLBXQGFUDA-JTQLQIEISA-N 0 0 303.384 0.398 50 0 DCAARN COc1cccc2c1OC[C@@H](NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C2 ZINC000670450466 547096620 /nfs/dbraw/zinc/09/66/20/547096620.db2.gz NECAVSXSGMLVHJ-VIFPVBQESA-N 0 0 317.301 0.630 50 0 DCAARN COC[C@H]1CCCN(S(=O)(=O)NCc2csc(N)n2)C1 ZINC000670457238 547097691 /nfs/dbraw/zinc/09/76/91/547097691.db2.gz DYTYCNIJVJXVFY-VIFPVBQESA-N 0 0 320.440 0.418 50 0 DCAARN Cn1cc(Cl)cc1C(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000679411650 548055875 /nfs/dbraw/zinc/05/58/75/548055875.db2.gz GWTOPGXEPFOHGR-UHFFFAOYSA-N 0 0 308.729 0.066 50 0 DCAARN Cn1nc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)cc1C1CC1 ZINC000685941372 548747110 /nfs/dbraw/zinc/74/71/10/548747110.db2.gz AVYYOPAUHPBHLO-GXTWGEPZSA-N 0 0 317.349 0.597 50 0 DCAARN Nc1nnc(SCC(=O)NCCN2CCCOC2=O)s1 ZINC000221294477 563723320 /nfs/dbraw/zinc/72/33/20/563723320.db2.gz WOZONFCYNXXUDJ-UHFFFAOYSA-N 0 0 317.396 0.171 50 0 DCAARN Cn1cc(S(=O)(=O)NCC[C@](C)(O)c2ccccc2)cn1 ZINC000188856287 659139778 /nfs/dbraw/zinc/13/97/78/659139778.db2.gz NADSGOFGDIQCDP-AWEZNQCLSA-N 0 0 309.391 0.996 50 0 DCAARN Cc1nc(C(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c(=O)[nH]c1C ZINC000194770878 659514691 /nfs/dbraw/zinc/51/46/91/659514691.db2.gz SRHXJOMZCONNEU-PHIMTYICSA-N 0 0 322.409 0.568 50 0 DCAARN Cc1nnc(CN2CCC(c3nnc(CO)n3C)CC2)s1 ZINC000299792674 659647563 /nfs/dbraw/zinc/64/75/63/659647563.db2.gz FZLUKHINNKIOEP-UHFFFAOYSA-N 0 0 308.411 0.847 50 0 DCAARN CC[C@H](C)C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)OC ZINC000585089658 661465192 /nfs/dbraw/zinc/46/51/92/661465192.db2.gz IPRICHVVGXTMTB-GARJFASQSA-N 0 0 305.396 0.515 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N=c2sccn2C)c(C)o1 ZINC000254305034 661600067 /nfs/dbraw/zinc/60/00/67/661600067.db2.gz IIPNBCPUYQKUKP-UHFFFAOYSA-N 0 0 315.376 0.637 50 0 DCAARN Cn1cc(CCCNC(=O)CCC(=O)Nc2nncs2)cn1 ZINC000952982822 665842416 /nfs/dbraw/zinc/84/24/16/665842416.db2.gz MTDPHBPTXZRTKK-UHFFFAOYSA-N 0 0 322.394 0.739 50 0 DCAARN Cn1cnc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)c1 ZINC000299756912 662673651 /nfs/dbraw/zinc/67/36/51/662673651.db2.gz DPERFBBYKLUETN-ZDUSSCGKSA-N 0 0 313.361 0.736 50 0 DCAARN Cn1ccnc1CN(CCO)c1cc([C@H]2CCOC2)ncn1 ZINC000299775144 662681260 /nfs/dbraw/zinc/68/12/60/662681260.db2.gz HUNKLZUORVIGEG-LBPRGKRZSA-N 0 0 303.366 0.713 50 0 DCAARN Cc1nc2cccc(C(=O)N3CCN4CCNC(=O)[C@H]4C3)c2[nH]1 ZINC000067805344 663227249 /nfs/dbraw/zinc/22/72/49/663227249.db2.gz JSPDXACJNQYTJB-CYBMUJFWSA-N 0 0 313.361 0.128 50 0 DCAARN CS(=O)(=O)c1ncc(CN2CCCO2)n1C[C@H]1CCCO1 ZINC000012434381 666637204 /nfs/dbraw/zinc/63/72/04/666637204.db2.gz RXRVNOPAEQFKSY-GFCCVEGCSA-N 0 0 315.395 0.603 50 0 DCAARN O=C(CO)N1CCN(Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000793591048 669727431 /nfs/dbraw/zinc/72/74/31/669727431.db2.gz FPHXAWUSFQDZEX-LBPRGKRZSA-N 0 0 311.407 0.631 50 0 DCAARN CCn1ncnc1[C@@H](C)NC(=O)CCC(=O)Nc1nncs1 ZINC000952988169 685602454 /nfs/dbraw/zinc/60/24/54/685602454.db2.gz MPMPKLAXGJRGKO-MRVPVSSYSA-N 0 0 323.382 0.746 50 0 DCAARN CC[C@@H](CO)N(Cc1cccnc1)C(=O)CN1CCCC1=O ZINC000952970041 685599369 /nfs/dbraw/zinc/59/93/69/685599369.db2.gz HOLPETUVJFGGDD-AWEZNQCLSA-N 0 0 305.378 0.804 50 0 DCAARN CC(C)c1nc(CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)no1 ZINC000952971422 685600374 /nfs/dbraw/zinc/60/03/74/685600374.db2.gz SGOSHGRQHCGRGG-VIFPVBQESA-N 0 0 316.383 0.427 50 0 DCAARN C[C@@]1(NC(=O)CCN2CCCCCC2=O)CCS(=O)(=O)C1 ZINC000952975236 685600411 /nfs/dbraw/zinc/60/04/11/685600411.db2.gz SKFDMBXKOIJGOK-CQSZACIVSA-N 0 0 316.423 0.473 50 0 DCAARN COc1cccc(CC(=O)N(CCO)Cc2nccn2C)c1 ZINC000952983537 685601866 /nfs/dbraw/zinc/60/18/66/685601866.db2.gz GUOPUZZYKFZYRO-UHFFFAOYSA-N 0 0 303.362 0.992 50 0 DCAARN O=C1[C@@H]2CCCN2C(=O)[C@H]2CN(Cc3ccccc3F)CCN12 ZINC000014751530 685048389 /nfs/dbraw/zinc/04/83/89/685048389.db2.gz VNFCZPIQZPEQEN-LSDHHAIUSA-N 0 0 317.364 0.843 50 0 DCAARN Cn1ccnc1CN1CC[C@H](CNC(=O)c2ccc[nH]c2=O)C1 ZINC000067673317 685068780 /nfs/dbraw/zinc/06/87/80/685068780.db2.gz LIQVDXJXAXABNG-GFCCVEGCSA-N 0 0 315.377 0.360 50 0 DCAARN CN1C[C@H]2COC[C@@H]1CN(Cc1ccc(S(C)(=O)=O)cc1)C2 ZINC001772702508 1157841601 /nfs/dbraw/zinc/84/16/01/1157841601.db2.gz SSRFZIJUCMPNOY-CABCVRRESA-N 0 0 324.446 0.853 50 0 DCAARN Cc1nn(CCNC(=O)c2cnc(C(N)=O)cn2)c(C)c1C ZINC001772706483 1157845611 /nfs/dbraw/zinc/84/56/11/1157845611.db2.gz SFQVWKQYUZNRJG-UHFFFAOYSA-N 0 0 302.338 0.127 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)N1CCC([C@@H](O)CO)CC1 ZINC001772710233 1157847200 /nfs/dbraw/zinc/84/72/00/1157847200.db2.gz PPEAXZUDKIHVET-HNNXBMFYSA-N 0 0 309.410 0.561 50 0 DCAARN O=C([O-])[C@@]12C[N@H+](Cc3ccccc3OCCO)C[C@@H]1COCC2 ZINC001772710855 1157848210 /nfs/dbraw/zinc/84/82/10/1157848210.db2.gz SRJAJULHASTGRC-PBHICJAKSA-N 0 0 321.373 0.981 50 0 DCAARN COCCc1noc(CN2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)n1 ZINC001704298653 1179964483 /nfs/dbraw/zinc/96/44/83/1179964483.db2.gz 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ZINC000827628131 758871797 /nfs/dbraw/zinc/87/17/97/758871797.db2.gz XZYQTUJQEKANFC-GFCCVEGCSA-N 0 0 317.349 0.492 50 0 DCAARN COCCn1ncc(N2CC[C@@H](C(=O)N3CCCC3)C2)cc1=O ZINC000581793110 760252024 /nfs/dbraw/zinc/25/20/24/760252024.db2.gz WABHGOYYYIVLKV-CYBMUJFWSA-N 0 0 320.393 0.338 50 0 DCAARN COC(=O)[C@H](NC(=O)CCCN(C)C(=O)OC)c1ccccn1 ZINC000584907188 766236908 /nfs/dbraw/zinc/23/69/08/766236908.db2.gz RRXNUYRBQQKAQR-CYBMUJFWSA-N 0 0 323.349 0.890 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)c2cccc3c2OCCO3)C[C@]1(C)O ZINC000219593100 766272564 /nfs/dbraw/zinc/27/25/64/766272564.db2.gz MIDGPIIWLNEGEM-YGRLFVJLSA-N 0 0 313.375 0.849 50 0 DCAARN CC(C)C[C@@H](C)OC(=O)N1CCN2CCS(=O)(=O)C[C@H]2C1 ZINC000585115370 766285035 /nfs/dbraw/zinc/28/50/35/766285035.db2.gz YAAUNZNULMSJEE-CHWSQXEVSA-N 0 0 318.439 0.972 50 0 DCAARN CNc1cnn(Cc2cccc(S(=O)(=O)N(C)C)c2)c(=O)c1 ZINC000585122902 766287184 /nfs/dbraw/zinc/28/71/84/766287184.db2.gz GZZIUYYNLRQYEF-UHFFFAOYSA-N 0 0 322.390 0.584 50 0 DCAARN CC[C@@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC000585121020 766287264 /nfs/dbraw/zinc/28/72/64/766287264.db2.gz CDXLFRISBMJCGC-ZWNOBZJWSA-N 0 0 323.368 0.643 50 0 DCAARN COc1cc(NC(=O)CN(C)S(C)(=O)=O)cc(Cl)n1 ZINC000585124526 766288521 /nfs/dbraw/zinc/28/85/21/766288521.db2.gz GXOXTCYCHGEYLG-UHFFFAOYSA-N 0 0 307.759 0.574 50 0 DCAARN COC(=O)C1=CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000585129887 766291817 /nfs/dbraw/zinc/29/18/17/766291817.db2.gz ASURIDQRHIDJGY-UHFFFAOYSA-N 0 0 320.320 0.887 50 0 DCAARN COC(=O)c1c(NC(=O)N[C@H](C(N)=O)C(C)C)nc2n1CCC2 ZINC000952850491 768911212 /nfs/dbraw/zinc/91/12/12/768911212.db2.gz XHCTWEKJAYINGL-VIFPVBQESA-N 0 0 323.353 0.247 50 0 DCAARN CCc1c(C(=O)NCCN(C)CCS(C)(=O)=O)ccn1C ZINC000952881808 768948160 /nfs/dbraw/zinc/94/81/60/768948160.db2.gz DBDAEWRHYYCEKL-UHFFFAOYSA-N 0 0 315.439 0.294 50 0 DCAARN O=C(NCC1CCOCC1)[C@H]1OCC(=O)N[C@@H]1c1cccnc1 ZINC001529094583 1014495252 /nfs/dbraw/zinc/49/52/52/1014495252.db2.gz HZRMHHFDONYCAZ-CABCVRRESA-N 0 0 319.361 0.181 50 0 DCAARN CN(C(=O)c1ccc(Cl)s1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001506402639 1017255295 /nfs/dbraw/zinc/25/52/95/1017255295.db2.gz IXZUJOACTPLBFL-RNFRBKRXSA-N 0 0 309.796 0.631 50 0 DCAARN Cc1cccc(NC(=O)CC(=O)N[C@@H]2C[NH2+][C@H](C(=O)[O-])C2)c1 ZINC001506399024 1017253513 /nfs/dbraw/zinc/25/35/13/1017253513.db2.gz WMAJQAXFMMJSTB-RYUDHWBXSA-N 0 0 305.334 0.255 50 0 DCAARN COC[C@H]1CCCN(S(=O)(=O)NCCc2cccnc2)C1 ZINC001506418985 1017264034 /nfs/dbraw/zinc/26/40/34/1017264034.db2.gz LLOSEOLSNPRODB-AWEZNQCLSA-N 0 0 313.423 0.817 50 0 DCAARN COC(=O)[C@H](C)NC(=O)[C@@H](C)n1nnc2ccccc2c1=O ZINC000095479615 185373499 /nfs/dbraw/zinc/37/34/99/185373499.db2.gz POQWJCBBPCZJBR-DTWKUNHWSA-N 0 0 304.306 0.030 50 0 DCAARN CC(C)c1nccn1[C@@H](C)C(=O)NCCc1n[nH]c(=O)n1C ZINC000095510166 185376139 /nfs/dbraw/zinc/37/61/39/185376139.db2.gz OYOLPPNLQZCTRB-JTQLQIEISA-N 0 0 306.370 0.348 50 0 DCAARN CN(CCOc1ccccc1)C(=O)CN1C(=O)CCNC1=O ZINC000095523134 185377710 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301.350 0.595 50 0 DCAARN CNC(=O)c1noc(CNC(=O)c2n[nH]c3c2C[C@@H](C)CC3)n1 ZINC000299791469 529954710 /nfs/dbraw/zinc/95/47/10/529954710.db2.gz FYEQNSXRYAYQQU-ZETCQYMHSA-N 0 0 318.337 0.207 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)c3cn(C)nc3C)CCO2)[nH]1 ZINC000083830042 192384574 /nfs/dbraw/zinc/38/45/74/192384574.db2.gz FYFJNIAOCNRKHN-LLVKDONJSA-N 0 0 304.354 0.623 50 0 DCAARN CCc1noc([C@@H](C)N2CCN(c3cnn(C)c3)C(=O)C2)n1 ZINC000083830467 192385206 /nfs/dbraw/zinc/38/52/06/192385206.db2.gz FAYVQYLOGXCWKB-SNVBAGLBSA-N 0 0 304.354 0.775 50 0 DCAARN CCCN1C[C@@H](NC(=O)c2cc(=O)nc3sccn32)CC1=O ZINC000071750368 191021956 /nfs/dbraw/zinc/02/19/56/191021956.db2.gz JFWCMXLIWJGUSB-VIFPVBQESA-N 0 0 320.374 0.497 50 0 DCAARN Cc1c(Cl)c(C(=O)N2CCC[C@](O)(CO)CC2)nn1C ZINC000072128376 191042767 /nfs/dbraw/zinc/04/27/67/191042767.db2.gz FTGDKGLXINCBCA-CYBMUJFWSA-N 0 0 301.774 0.731 50 0 DCAARN C[C@H](NS(=O)(=O)NCc1ccccc1)c1nnc(N)s1 ZINC000072131733 191044536 /nfs/dbraw/zinc/04/45/36/191044536.db2.gz 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ZINC000072302456 191115391 /nfs/dbraw/zinc/11/53/91/191115391.db2.gz ONJZFEBTPZVBCX-UHFFFAOYSA-N 0 0 323.360 0.314 50 0 DCAARN COC(=O)c1cn(-c2ccc(C(N)=O)cc2)cc2c(=O)[nH]nc1-2 ZINC000253407042 186308518 /nfs/dbraw/zinc/30/85/18/186308518.db2.gz JMOQLOZUHHIMTI-UHFFFAOYSA-N 0 0 312.285 0.551 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCc3nn(C)c(=O)cc3C2)on1 ZINC000072302324 191115509 /nfs/dbraw/zinc/11/55/09/191115509.db2.gz ZHRQLSSDFFPMPF-JTQLQIEISA-N 0 0 317.349 0.462 50 0 DCAARN CNC(=O)c1ccc(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cn1 ZINC000264244653 186324868 /nfs/dbraw/zinc/32/48/68/186324868.db2.gz KDUKZJYLHLBEHL-VXGBXAGGSA-N 0 0 320.393 0.280 50 0 DCAARN COC(=O)C[C@H](c1ccc[nH]c1=O)c1c(O)cc(C)[nH]c1=O ZINC000072403180 191151409 /nfs/dbraw/zinc/15/14/09/191151409.db2.gz QVMFHXALSLRLQB-SNVBAGLBSA-N 0 0 304.302 0.772 50 0 DCAARN Cc1nn(C)c(C)c1CNC(=O)c1ccccc1-n1cnnn1 ZINC000072403992 191151803 /nfs/dbraw/zinc/15/18/03/191151803.db2.gz KLZAQPKGEGTOSS-UHFFFAOYSA-N 0 0 311.349 0.943 50 0 DCAARN O=C(CO)N1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072423802 191158282 /nfs/dbraw/zinc/15/82/82/191158282.db2.gz PWOIJLQTGHSQIT-KRWDZBQOSA-N 0 0 317.389 0.805 50 0 DCAARN NC(=O)CN1CCN(Cc2ccc(F)c(F)c2)[C@@H](CCO)C1 ZINC000072436692 191166353 /nfs/dbraw/zinc/16/63/53/191166353.db2.gz SBYUSQOQFDAZQD-LBPRGKRZSA-N 0 0 313.348 0.319 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000072441501 191167960 /nfs/dbraw/zinc/16/79/60/191167960.db2.gz PYBGGCVMYQAWPF-GFCCVEGCSA-N 0 0 303.428 0.517 50 0 DCAARN CC[C@H]1c2cccn2CCN1C(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC000072438373 191167496 /nfs/dbraw/zinc/16/74/96/191167496.db2.gz SVLOWMDKDQOBDV-LBPRGKRZSA-N 0 0 316.361 0.640 50 0 DCAARN Cn1ncc(NC(=O)c2cc(C(F)(F)F)n(C)n2)c1C(N)=O ZINC000002774994 180955072 /nfs/dbraw/zinc/95/50/72/180955072.db2.gz WZEUTSXSGMSZLO-UHFFFAOYSA-N 0 0 316.243 0.524 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1c(F)cccc1F ZINC000003307263 181002594 /nfs/dbraw/zinc/00/25/94/181002594.db2.gz YBVGHGWAZZTNTF-SNVBAGLBSA-N 0 0 312.272 0.469 50 0 DCAARN CC(=O)N1CCN(C(=O)Cn2c(=O)cnc3ccccc32)CC1 ZINC000003438437 181019767 /nfs/dbraw/zinc/01/97/67/181019767.db2.gz NIWQHTISFIYOOF-UHFFFAOYSA-N 0 0 314.345 0.087 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(OC)cc1 ZINC000004029740 181064503 /nfs/dbraw/zinc/06/45/03/181064503.db2.gz UCOQLQATWYYVSB-GFCCVEGCSA-N 0 0 321.333 0.591 50 0 biogenic DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000004034923 181064959 /nfs/dbraw/zinc/06/49/59/181064959.db2.gz TYICPZVACOFTOP-RYUDHWBXSA-N 0 0 304.412 0.343 50 0 DCAARN CN1C(=O)C(=C(N)COc2cccc(Cl)c2)C(=O)N(C)C1=O ZINC000004002692 181061237 /nfs/dbraw/zinc/06/12/37/181061237.db2.gz UGEWOHGUTHSGRU-UHFFFAOYSA-N 0 0 323.736 0.982 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccccc3OC)C(=O)[C@]2(C)NN1 ZINC000004104483 181073483 /nfs/dbraw/zinc/07/34/83/181073483.db2.gz KTUDKOHEPGQTPA-ZUZCIYMTSA-N 0 0 317.301 0.076 50 0 DCAARN Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000004505385 181117003 /nfs/dbraw/zinc/11/70/03/181117003.db2.gz TUZPKPPVPCZDSG-NSHDSACASA-N 0 0 303.405 0.769 50 0 DCAARN COC[C@@H](C)NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000004570158 181125981 /nfs/dbraw/zinc/12/59/81/181125981.db2.gz SMHVRCGUIHPIDV-SNVBAGLBSA-N 0 0 324.402 0.835 50 0 DCAARN CCCCN(CCCC)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O ZINC000004577269 181126807 /nfs/dbraw/zinc/12/68/07/181126807.db2.gz MRMSOQRCOZFJRG-UHFFFAOYSA-N 0 0 317.411 0.963 50 0 DCAARN COCCCNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000004694583 181137603 /nfs/dbraw/zinc/13/76/03/181137603.db2.gz QVVGJKPLYUUZMH-UHFFFAOYSA-N 0 0 314.407 0.768 50 0 DCAARN O=C(NC(=S)N[C@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000004755806 181149220 /nfs/dbraw/zinc/14/92/20/181149220.db2.gz LCGHTJRVYDNPGE-ZETCQYMHSA-N 0 0 304.418 0.540 50 0 DCAARN CCn1c(CN2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004929969 181174576 /nfs/dbraw/zinc/17/45/76/181174576.db2.gz QSUBBTUZBSHJEF-UHFFFAOYSA-N 0 0 319.409 0.686 50 0 DCAARN CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCCCO)cc21 ZINC000005252405 181222336 /nfs/dbraw/zinc/22/23/36/181222336.db2.gz SWKKOJOZRPKKLN-UHFFFAOYSA-N 0 0 319.361 0.423 50 0 DCAARN CC(C)N(C(=O)Cn1cnc2c(cnn2CCO)c1=O)C(C)C ZINC000005271367 181225141 /nfs/dbraw/zinc/22/51/41/181225141.db2.gz KHEVNVRDCSYBSQ-UHFFFAOYSA-N 0 0 321.381 0.231 50 0 DCAARN COC(=O)c1nnn(CC(=O)c2cccs2)c1C(=O)OC ZINC000080316213 192024376 /nfs/dbraw/zinc/02/43/76/192024376.db2.gz HVABYHIYOAGWHA-UHFFFAOYSA-N 0 0 309.303 0.796 50 0 DCAARN O=S(=O)(NCCc1nnc2ccccn21)c1cccnc1 ZINC000081063953 192223089 /nfs/dbraw/zinc/22/30/89/192223089.db2.gz IQGKQHAYMMNOBL-UHFFFAOYSA-N 0 0 303.347 0.645 50 0 DCAARN NS(=O)(=O)c1cccc(NC(=O)CSc2ncccn2)c1 ZINC000005786941 181284251 /nfs/dbraw/zinc/28/42/51/181284251.db2.gz YIHCUIWGQFAGEG-UHFFFAOYSA-N 0 0 324.387 0.855 50 0 DCAARN CN1C[C@H](C(=O)N2CCC(Oc3cccnc3)CC2)CC1=O ZINC000085557977 192515524 /nfs/dbraw/zinc/51/55/24/192515524.db2.gz AIQUVXJLCRZKQD-GFCCVEGCSA-N 0 0 303.362 0.930 50 0 DCAARN CNC(=O)NC(=O)CSc1nnc(-c2ccc(C)cc2)n1N ZINC000003516066 283359326 /nfs/dbraw/zinc/35/93/26/283359326.db2.gz SHHBSDGSYOHLTD-UHFFFAOYSA-N 0 0 320.378 0.515 50 0 DCAARN C[C@H]1Cc2c(NC(=O)c3cccn(C)c3=O)nn(C)c2NC1=O ZINC000044213413 291161520 /nfs/dbraw/zinc/16/15/20/291161520.db2.gz YNTAKFGKVSNLLT-QMMMGPOBSA-N 0 0 315.333 0.502 50 0 DCAARN O=C(N1CCOCC1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000187991950 237364985 /nfs/dbraw/zinc/36/49/85/237364985.db2.gz CEVYVMQXYUVDNM-UHFFFAOYSA-N 0 0 305.382 0.861 50 0 DCAARN CC(=O)NCc1ccc(S(=O)(=O)N2CCN[C@@H](C)C2)s1 ZINC000237693813 202330027 /nfs/dbraw/zinc/33/00/27/202330027.db2.gz VJZSNWGFKXOOFY-VIFPVBQESA-N 0 0 317.436 0.367 50 0 DCAARN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C2CC2)CC1 ZINC000057735344 283643737 /nfs/dbraw/zinc/64/37/37/283643737.db2.gz QNZQGVGHHWFYEH-UHFFFAOYSA-N 0 0 323.418 0.653 50 0 DCAARN O=C(COC(=O)[C@@H]1CCC(=O)N1)NC12CC3CC(CC(C3)C1)C2 ZINC000006303213 181327757 /nfs/dbraw/zinc/32/77/57/181327757.db2.gz GBFJNJYICDMZTR-RQYMUSGFSA-N 0 0 320.389 0.893 50 0 DCAARN CO[C@H](C)CS(=O)(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000195221174 201361629 /nfs/dbraw/zinc/36/16/29/201361629.db2.gz GYDQOTRWWFVVRP-PWSUYJOCSA-N 0 0 317.411 0.997 50 0 DCAARN COCCNC(=O)NC(=O)COc1ccc(-c2nnco2)cc1 ZINC000006549202 181353167 /nfs/dbraw/zinc/35/31/67/181353167.db2.gz QHUYZTDKRWXGSS-UHFFFAOYSA-N 0 0 320.305 0.588 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nnc(C)s2)C1 ZINC000006747132 181381940 /nfs/dbraw/zinc/38/19/40/181381940.db2.gz CSESVAJTWJKOGT-SECBINFHSA-N 0 0 318.424 0.847 50 0 DCAARN CCN1C[C@H](C(=O)NCc2nnc3n2CCCC3)CCC1=O ZINC000091320209 193038102 /nfs/dbraw/zinc/03/81/02/193038102.db2.gz XFLLQZBJWWOJRG-LLVKDONJSA-N 0 0 305.382 0.489 50 0 DCAARN Cc1ccc([C@@H](C(=O)NCc2cc(=O)[nH]cn2)N(C)C)cc1 ZINC000091594079 193077697 /nfs/dbraw/zinc/07/76/97/193077697.db2.gz SPAQPEPUYYTGPN-HNNXBMFYSA-N 0 0 300.362 0.997 50 0 DCAARN O=C(CCCN1CCCCC1=O)N1CCC2(CC1)[C@H](O)C[C@@H]2O ZINC000091461435 193059672 /nfs/dbraw/zinc/05/96/72/193059672.db2.gz KCAUZBWCBRWKOH-OKILXGFUSA-N 0 0 324.421 0.513 50 0 DCAARN CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)CCOCC ZINC000091645803 193084529 /nfs/dbraw/zinc/08/45/29/193084529.db2.gz PRPZANMSCCOIGH-RYUDHWBXSA-N 0 0 306.428 0.589 50 0 DCAARN COC1CCN(S(=O)(=O)N2C[C@@H](C)[C@](O)(C(C)C)C2)CC1 ZINC000091645835 193084557 /nfs/dbraw/zinc/08/45/57/193084557.db2.gz AMOKLJUGTHXZDV-TZMCWYRMSA-N 0 0 320.455 0.681 50 0 DCAARN Cc1nc(CN2CCN(c3ncnc4onc(C)c43)CC2)no1 ZINC000091645680 193085249 /nfs/dbraw/zinc/08/52/49/193085249.db2.gz QTMPLXOIULCKQE-UHFFFAOYSA-N 0 0 315.337 0.940 50 0 DCAARN CCCN(Cc1nccn1C)C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C ZINC000091664660 193086495 /nfs/dbraw/zinc/08/64/95/193086495.db2.gz GLYALWMWRQGHQZ-LLVKDONJSA-N 0 0 321.381 0.441 50 0 DCAARN C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2F)C[C@]1(C)O ZINC000091624635 193080850 /nfs/dbraw/zinc/08/08/50/193080850.db2.gz WYCUGDBKSCJFLL-OQPBUACISA-N 0 0 316.354 0.316 50 0 DCAARN CN(C)C(=O)CC[C@@H]1CCCN(C(=O)CCc2nncn2C)C1 ZINC000091636718 193083126 /nfs/dbraw/zinc/08/31/26/193083126.db2.gz CDOMHVGVDRJKJS-ZDUSSCGKSA-N 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/nfs/dbraw/zinc/60/21/48/201602148.db2.gz SLLOCYNFMWZMAW-BLFANLJRSA-N 0 0 317.345 0.830 50 0 DCAARN CCCC(=O)O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@H]1CO ZINC000253496341 202896217 /nfs/dbraw/zinc/89/62/17/202896217.db2.gz GWVBOBYCKWACFZ-OUAUKWLOSA-N 0 0 312.322 0.249 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N1CC(Oc2ccccc2Cl)C1 ZINC000095383593 193440678 /nfs/dbraw/zinc/44/06/78/193440678.db2.gz YEXYOQWULQZACY-SNVBAGLBSA-N 0 0 323.736 0.528 50 0 DCAARN Cc1cc(S(=O)(=O)N2CC[C@H](S(C)(=O)=O)C2)ccc1F ZINC000096025297 193491003 /nfs/dbraw/zinc/49/10/03/193491003.db2.gz FOUOGOIRHUEFPZ-NSHDSACASA-N 0 0 321.395 0.942 50 0 DCAARN CCn1nc(C)c(CN2CCN(S(=O)(=O)CC)CC2)c1C ZINC000095982450 193476084 /nfs/dbraw/zinc/47/60/84/193476084.db2.gz UALNEVXAJYRPND-UHFFFAOYSA-N 0 0 314.455 0.987 50 0 DCAARN O=C(NCCCn1c(=O)onc1-c1ncccn1)C1CCCC1 ZINC000096452839 193653876 /nfs/dbraw/zinc/65/38/76/193653876.db2.gz DNYSSGYFZHCXEK-UHFFFAOYSA-N 0 0 317.349 0.990 50 0 DCAARN O=C(COC(=O)c1ccc[nH]c1=O)NCc1ccccc1F ZINC000008210762 181536036 /nfs/dbraw/zinc/53/60/36/181536036.db2.gz CMPKWSGLVMLIGE-UHFFFAOYSA-N 0 0 304.277 0.987 50 0 DCAARN CNC(=O)CNC(=O)c1ccc(CNC(=O)NC(C)C)cc1 ZINC000008241401 181539414 /nfs/dbraw/zinc/53/94/14/181539414.db2.gz BAAFKEOHOUGKOY-UHFFFAOYSA-N 0 0 306.366 0.370 50 0 DCAARN C[C@@H](O)CN1CC2=C(C1=O)[C@@H](c1ccc(O)cc1)NC(=O)N2 ZINC000008878078 181590090 /nfs/dbraw/zinc/59/00/90/181590090.db2.gz FUHWWPOKRWUWRI-AMIZOPFISA-N 0 0 303.318 0.223 50 0 DCAARN CNC(=O)Cn1c(=O)c2c(nc1-n1nc(C)cc1C)CCCC2 ZINC000009520735 181626916 /nfs/dbraw/zinc/62/69/16/181626916.db2.gz KCEVTYBGIMEPTB-UHFFFAOYSA-N 0 0 315.377 0.671 50 0 DCAARN CCn1c2ccccc2n(CC(=O)NCC(=O)NC(C)C)c1=O ZINC000010760984 181678234 /nfs/dbraw/zinc/67/82/34/181678234.db2.gz GGZKCTKSKARQJB-UHFFFAOYSA-N 0 0 318.377 0.464 50 0 DCAARN CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCOCC2)cc1 ZINC000012460435 181765719 /nfs/dbraw/zinc/76/57/19/181765719.db2.gz GAWHTSAWRKMUTD-QPJJXVBHSA-N 0 0 310.375 0.467 50 0 DCAARN CC[C@H](C)[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)C(=O)OC ZINC000012321977 181750061 /nfs/dbraw/zinc/75/00/61/181750061.db2.gz SJNUWMNFDZFEOV-GWCFXTLKSA-N 0 0 317.349 0.980 50 0 DCAARN C[C@@H]1C[C@@H](C)CN(C(=O)Cn2nnn(-c3cccs3)c2=O)C1 ZINC000014022555 181920911 /nfs/dbraw/zinc/92/09/11/181920911.db2.gz XBLUQGPPKLDTID-GHMZBOCLSA-N 0 0 321.406 0.995 50 0 DCAARN CN(C)C1=C(C(=O)N2CCOCC2)S(=O)(=O)c2ccccc21 ZINC000015019207 181983881 /nfs/dbraw/zinc/98/38/81/181983881.db2.gz KFZBTOMEPZRTCI-UHFFFAOYSA-N 0 0 322.386 0.563 50 0 DCAARN COCC(=O)N[C@H]1CC(=O)N(CCc2ccc(OC)cc2)C1 ZINC000015062200 181985855 /nfs/dbraw/zinc/98/58/55/181985855.db2.gz DJNDYPROHAKZID-ZDUSSCGKSA-N 0 0 306.362 0.601 50 0 DCAARN O=C(CSc1n[nH]c(=O)n1Cc1ccco1)N1CCOCC1 ZINC000015923288 182024421 /nfs/dbraw/zinc/02/44/21/182024421.db2.gz MQFVZOWNYSNSEI-UHFFFAOYSA-N 0 0 324.362 0.164 50 0 DCAARN CCOC(=O)c1ccc(S(=O)(=O)NCCNC(C)=O)cc1 ZINC000016085139 182031734 /nfs/dbraw/zinc/03/17/34/182031734.db2.gz HQOMXYUPSHNILS-UHFFFAOYSA-N 0 0 314.363 0.278 50 0 DCAARN O=S(=O)(Cc1ccccc1F)NCCN1CCOCC1 ZINC000016577065 182049958 /nfs/dbraw/zinc/04/99/58/182049958.db2.gz OPFAWDRURIWGNS-UHFFFAOYSA-N 0 0 302.371 0.577 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1 ZINC000016626867 182053881 /nfs/dbraw/zinc/05/38/81/182053881.db2.gz GZJGCMBRHWBXSP-UHFFFAOYSA-N 0 0 312.391 0.938 50 0 DCAARN O=C(Nc1cccnc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000023170927 284375648 /nfs/dbraw/zinc/37/56/48/284375648.db2.gz FBCCLBZAQYOCCE-SNVBAGLBSA-N 0 0 306.347 0.641 50 0 DCAARN CN(Cc1ccsc1)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000019299410 182113319 /nfs/dbraw/zinc/11/33/19/182113319.db2.gz DPTFDBMSNUWDEH-UHFFFAOYSA-N 0 0 317.374 0.850 50 0 DCAARN CCOC(=O)CN[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O ZINC000019536954 182129649 /nfs/dbraw/zinc/12/96/49/182129649.db2.gz JHOGLOXOBXMMRE-ZDUSSCGKSA-N 0 0 320.345 0.870 50 0 DCAARN Cc1ccc(C)c(OC[C@H](O)CN2CCN(CCO)CC2)c1 ZINC000019770994 182145319 /nfs/dbraw/zinc/14/53/19/182145319.db2.gz PDAAKHWWKUVEDX-MRXNPFEDSA-N 0 0 308.422 0.653 50 0 DCAARN CC1=C(C(=O)N2CCC[C@H](Cn3cc(CO)nn3)C2)OCCO1 ZINC000019794616 182150050 /nfs/dbraw/zinc/15/00/50/182150050.db2.gz PQTUPGRHMUUVJE-LBPRGKRZSA-N 0 0 322.365 0.287 50 0 DCAARN Cc1ccc(S(=O)(=O)CCN2CCN(CCO)CC2)cc1 ZINC000019881434 182159649 /nfs/dbraw/zinc/15/96/49/182159649.db2.gz LVXSSRJUBBKYOU-UHFFFAOYSA-N 0 0 312.435 0.379 50 0 DCAARN O=C1C[C@H](N[C@H]2CCCCNC2=O)C(=O)N1c1ccccc1 ZINC000019889929 182160783 /nfs/dbraw/zinc/16/07/83/182160783.db2.gz QRLYMGHWKKAQIU-STQMWFEESA-N 0 0 301.346 0.577 50 0 DCAARN CCCCN1C(=O)[N-]C(=O)C(=C(C)NCCC[NH+](C)C)C1=O ZINC000020328516 182208473 /nfs/dbraw/zinc/20/84/73/182208473.db2.gz WNRATIPTDKTCQE-VAWYXSNFSA-N 0 0 310.398 0.680 50 0 DCAARN Cc1ccc(C(=O)C[C@H]([NH2+]CCN2CCOCC2)C(=O)[O-])cc1 ZINC000020432507 182216899 /nfs/dbraw/zinc/21/68/99/182216899.db2.gz MOJLWWYEJCKKMF-HNNXBMFYSA-N 0 0 320.389 0.943 50 0 DCAARN CC(C)NC(=O)c1ccc2c(c1)nc1n2CCN(CCO)C1 ZINC000020735828 182244829 /nfs/dbraw/zinc/24/48/29/182244829.db2.gz LQQWJICDURVAHF-UHFFFAOYSA-N 0 0 302.378 0.982 50 0 DCAARN CC(C)[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc21)C(N)=O ZINC000020909499 182253911 /nfs/dbraw/zinc/25/39/11/182253911.db2.gz HUPQAZCOHKSROP-LLVKDONJSA-N 0 0 302.334 0.173 50 0 DCAARN C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(=O)[nH]n2)C[C@H](C)O1 ZINC000021048140 182263497 /nfs/dbraw/zinc/26/34/97/182263497.db2.gz NDYDKAIAWRVPBY-PHIMTYICSA-N 0 0 308.382 0.388 50 0 DCAARN O=C(NCCN1CCOCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000021642497 182281989 /nfs/dbraw/zinc/28/19/89/182281989.db2.gz YUDBXMDZSRTHCG-HNNXBMFYSA-N 0 0 317.389 0.488 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(-c2ccco2)on1 ZINC000021842396 182294668 /nfs/dbraw/zinc/29/46/68/182294668.db2.gz FHUOASBZAFGKFH-LLVKDONJSA-N 0 0 319.317 0.798 50 0 DCAARN O=C(OCCN1C(=O)c2ccccc2C1=O)[C@H]1CCC(=O)N1 ZINC000021849116 182295080 /nfs/dbraw/zinc/29/50/80/182295080.db2.gz MAOMZTRIYYXLTR-LLVKDONJSA-N 0 0 302.286 0.104 50 0 DCAARN CCc1ccc(N2C[C@@H](C(=O)NCCNC(C)=O)CC2=O)cc1 ZINC000022755764 182333352 /nfs/dbraw/zinc/33/33/52/182333352.db2.gz COODDBHBZSYODJ-AWEZNQCLSA-N 0 0 317.389 0.854 50 0 DCAARN O=C(NC[C@@H](c1ccsc1)N1CCOCC1)C(=O)NC1CC1 ZINC000022766649 182333745 /nfs/dbraw/zinc/33/37/45/182333745.db2.gz CHSMRTTYRWSUQM-ZDUSSCGKSA-N 0 0 323.418 0.516 50 0 DCAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1N[C@H](CC)CO ZINC000022767708 182333809 /nfs/dbraw/zinc/33/38/09/182333809.db2.gz UITGOGDEDDCAMY-SNVBAGLBSA-N 0 0 306.366 0.377 50 0 DCAARN COc1ccccc1NC(=O)C[C@@H](C(=O)[O-])N1CC[NH2+]CC1 ZINC000022792375 182335091 /nfs/dbraw/zinc/33/50/91/182335091.db2.gz ZENNTIMRVJGGRA-LBPRGKRZSA-N 0 0 307.350 0.382 50 0 DCAARN COCCn1nc(C(=O)Nc2c(C)nn(C)c2C)ccc1=O ZINC000022838260 182336985 /nfs/dbraw/zinc/33/69/85/182336985.db2.gz QHIRHENQTKHAEK-UHFFFAOYSA-N 0 0 305.338 0.492 50 0 DCAARN O=c1cccnn1CCCNS(=O)(=O)c1ccccc1F ZINC000023241953 182353509 /nfs/dbraw/zinc/35/35/09/182353509.db2.gz RCMHWNJLGLEGOX-UHFFFAOYSA-N 0 0 311.338 0.751 50 0 DCAARN CC(=O)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 ZINC000023134717 182350156 /nfs/dbraw/zinc/35/01/56/182350156.db2.gz LSGYWXWUMHXFHR-UHFFFAOYSA-N 0 0 322.319 0.605 50 0 DCAARN CC[C@H]1CN(C(=O)Cn2[nH]c(=O)c3ccccc3c2=O)CCO1 ZINC000023893570 182369694 /nfs/dbraw/zinc/36/96/94/182369694.db2.gz XDVABJZIGUIVKY-NSHDSACASA-N 0 0 317.345 0.740 50 0 DCAARN Cn1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)n1 ZINC000024473117 182381787 /nfs/dbraw/zinc/38/17/87/182381787.db2.gz GMNLLESPAYWODL-UHFFFAOYSA-N 0 0 305.338 0.613 50 0 DCAARN O=C(Cn1cccnc1=O)Nc1cccc(N2CCOC2=O)c1 ZINC000024985462 182397412 /nfs/dbraw/zinc/39/74/12/182397412.db2.gz ZEOZRQADDCTNDD-UHFFFAOYSA-N 0 0 314.301 0.839 50 0 DCAARN O=C(c1cccc(-n2cnnn2)c1)N1CCC2(CC1)OCCO2 ZINC000024995863 182398235 /nfs/dbraw/zinc/39/82/35/182398235.db2.gz WITYJFNOBFDNBR-UHFFFAOYSA-N 0 0 315.333 0.641 50 0 DCAARN CS(=O)(=O)N1CCC(C(=O)NOCc2ccccc2)CC1 ZINC000025039190 182399526 /nfs/dbraw/zinc/39/95/26/182399526.db2.gz VNXMWTKPEPXIFQ-UHFFFAOYSA-N 0 0 312.391 0.906 50 0 DCAARN CCC[C@H](C)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000024928379 182395111 /nfs/dbraw/zinc/39/51/11/182395111.db2.gz XVSXUIMJSHMLJG-VIFPVBQESA-N 0 0 304.350 0.551 50 0 DCAARN Cc1cccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)n1 ZINC000025272169 182406390 /nfs/dbraw/zinc/40/63/90/182406390.db2.gz DBKAYQJBEGGHIH-UHFFFAOYSA-N 0 0 305.359 0.967 50 0 DCAARN CN(C)C(=O)COc1ccc(NC(=O)c2nccnc2N)cc1 ZINC000025657973 182419184 /nfs/dbraw/zinc/41/91/84/182419184.db2.gz IJKVPYOUXNCVFH-UHFFFAOYSA-N 0 0 315.333 0.778 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)n(C)c1 ZINC000027883787 182495441 /nfs/dbraw/zinc/49/54/41/182495441.db2.gz AAVPNTYKALHYSJ-SKDRFNHKSA-N 0 0 315.395 0.231 50 0 DCAARN O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)N1CCCCCC1 ZINC000028325897 182520496 /nfs/dbraw/zinc/52/04/96/182520496.db2.gz HMASRJKYQGCGKC-ZDUSSCGKSA-N 0 0 315.439 0.850 50 0 DCAARN Cc1ccc(NC2=C(Cl)C(=O)O[C@@H]2C(C(N)=O)C(N)=O)cc1 ZINC000100590607 193801413 /nfs/dbraw/zinc/80/14/13/193801413.db2.gz YWANTHAWMWQFFP-LLVKDONJSA-N 0 0 323.736 0.370 50 0 DCAARN O=S(=O)(N1CCCC1)N1CCN(Cc2cscn2)CC1 ZINC000032777733 182662056 /nfs/dbraw/zinc/66/20/56/182662056.db2.gz YGNAIWHTNUGOJA-UHFFFAOYSA-N 0 0 316.452 0.601 50 0 DCAARN Cn1c(=O)ccn(CC(=O)N[C@@H]2CCOc3ccccc32)c1=O ZINC000032710176 182655375 /nfs/dbraw/zinc/65/53/75/182655375.db2.gz HMKURGXRKHKJPL-GFCCVEGCSA-N 0 0 315.329 0.187 50 0 DCAARN CS(=O)(=O)Nc1ccccc1CNC(=O)c1cnccn1 ZINC000032930712 182682118 /nfs/dbraw/zinc/68/21/18/182682118.db2.gz HNBVFHVUJPEJFD-UHFFFAOYSA-N 0 0 306.347 0.778 50 0 DCAARN CN(C)C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000035436209 182775279 /nfs/dbraw/zinc/77/52/79/182775279.db2.gz FXPSERVNWGUKMZ-UHFFFAOYSA-N 0 0 317.436 0.143 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CCO1 ZINC000040477911 183075652 /nfs/dbraw/zinc/07/56/52/183075652.db2.gz SFDZNEGXRZJZSJ-LLVKDONJSA-N 0 0 303.318 0.751 50 0 DCAARN C[C@@H]1C(=O)NCCN1c1nc(C(C)(C)C)nc2c1cnn2C ZINC000072119554 296263179 /nfs/dbraw/zinc/26/31/79/296263179.db2.gz WSTVAFAPHOGFRA-SECBINFHSA-N 0 0 302.382 0.986 50 0 DCAARN COCCOc1ccc(NC(=O)C2=NN(C)C(=O)CC2)cn1 ZINC000040512044 183087652 /nfs/dbraw/zinc/08/76/52/183087652.db2.gz VHFRACMTTIGMBY-UHFFFAOYSA-N 0 0 306.322 0.654 50 0 DCAARN Cn1c(=O)ccn(CC(=O)NCc2ccccc2Cl)c1=O ZINC000040513940 183088773 /nfs/dbraw/zinc/08/87/73/183088773.db2.gz CCZCHFAXSHJGCA-UHFFFAOYSA-N 0 0 307.737 0.517 50 0 DCAARN CN(C)C(=O)N1CCN(Cn2ncc3ccccc3c2=O)CC1 ZINC000040520044 183089993 /nfs/dbraw/zinc/08/99/93/183089993.db2.gz PNSWKTRPYBBOKX-UHFFFAOYSA-N 0 0 315.377 0.653 50 0 DCAARN Cc1ccc(-c2nnc(CCC(=O)N(C)CC(N)=O)o2)cc1 ZINC000040534725 183094469 /nfs/dbraw/zinc/09/44/69/183094469.db2.gz UEQBSBIAECINHA-UHFFFAOYSA-N 0 0 302.334 0.921 50 0 DCAARN CC(C)N(CCCNC(=O)c1cnccn1)S(C)(=O)=O ZINC000040535287 183094581 /nfs/dbraw/zinc/09/45/81/183094581.db2.gz TVECPXBSJOOJSX-UHFFFAOYSA-N 0 0 300.384 0.267 50 0 DCAARN Cn1c(=O)ccn(CC(=O)N2CCC[C@@H]2c2ccsc2)c1=O ZINC000040535818 183095752 /nfs/dbraw/zinc/09/57/52/183095752.db2.gz AUAWWZIHSRZFNA-GFCCVEGCSA-N 0 0 319.386 0.972 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000040542824 183098278 /nfs/dbraw/zinc/09/82/78/183098278.db2.gz OUQYKMLKGFUOBF-OLZOCXBDSA-N 0 0 318.439 0.733 50 0 DCAARN Cc1ccc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cn1 ZINC000040542848 183098624 /nfs/dbraw/zinc/09/86/24/183098624.db2.gz WUYOYBJNDCDSMQ-LBPRGKRZSA-N 0 0 311.407 0.791 50 0 DCAARN Cc1ccc2c(O)c(C(=O)N3CCC(C(N)=O)CC3)cnc2n1 ZINC000040553320 183100256 /nfs/dbraw/zinc/10/02/56/183100256.db2.gz GURGKXLGYTXAHM-UHFFFAOYSA-N 0 0 314.345 0.569 50 0 DCAARN CC(C)c1noc([C@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 ZINC000040714775 183122965 /nfs/dbraw/zinc/12/29/65/183122965.db2.gz HDGVBBSBBHPWSV-JTQLQIEISA-N 0 0 305.342 0.586 50 0 DCAARN COc1cc(S(=O)(=O)N(CCO)CCO)ccc1Cl ZINC000041096529 183165406 /nfs/dbraw/zinc/16/54/06/183165406.db2.gz BUKHMIHUJFVBCV-UHFFFAOYSA-N 0 0 309.771 0.324 50 0 DCAARN C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)[C@H]1CCCO1 ZINC000041375236 183187847 /nfs/dbraw/zinc/18/78/47/183187847.db2.gz OKZJDZDJIDLRKA-GHMZBOCLSA-N 0 0 307.416 0.135 50 0 DCAARN Cc1cc(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)no1 ZINC000041648692 183213834 /nfs/dbraw/zinc/21/38/34/183213834.db2.gz OKLNHABOPJIVAB-VIFPVBQESA-N 0 0 302.356 0.529 50 0 DCAARN CN(CCCNC(=O)NCc1cccc(F)c1)S(C)(=O)=O ZINC000042326781 183254016 /nfs/dbraw/zinc/25/40/16/183254016.db2.gz GRDZLYATLAVFQT-UHFFFAOYSA-N 0 0 317.386 0.906 50 0 DCAARN O=C(Cc1cccs1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000042384010 183262370 /nfs/dbraw/zinc/26/23/70/183262370.db2.gz IGVXGGRMEOMKFA-UHFFFAOYSA-N 0 0 314.432 0.927 50 0 DCAARN CCn1c(=O)[nH]c(=O)c2cc(C(=O)NCC(F)(F)F)cnc21 ZINC000043085999 183334943 /nfs/dbraw/zinc/33/49/43/183334943.db2.gz QDPKZCMLVJFWBN-UHFFFAOYSA-N 0 0 316.239 0.397 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)NCCc2ccc3c(c2)OCO3)C1 ZINC000043889454 183389257 /nfs/dbraw/zinc/38/92/57/183389257.db2.gz WAMGWLIAQNGTDJ-NSHDSACASA-N 0 0 305.334 0.475 50 0 DCAARN C[C@H]1CCCN(C(=O)CS(=O)(=O)c2nnc3ccccn32)C1 ZINC000044948122 183464679 /nfs/dbraw/zinc/46/46/79/183464679.db2.gz MIUKXPFOFCBYCW-NSHDSACASA-N 0 0 322.390 0.762 50 0 DCAARN CC(=O)N[C@@H]1CCCN([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC000106108217 194185049 /nfs/dbraw/zinc/18/50/49/194185049.db2.gz LKTGNCZAZKXPQM-TZMCWYRMSA-N 0 0 321.425 0.964 50 0 DCAARN C[C@H](CNC(=O)NCCc1cnn(C)c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000106100875 194185074 /nfs/dbraw/zinc/18/50/74/194185074.db2.gz ZWOSCXNMWZCCPZ-MGPQQGTHSA-N 0 0 323.441 0.760 50 0 DCAARN Cc1c(C(=O)NCC2(C(N)=O)CCOCC2)cnn1C(C)(C)C ZINC000052745055 183869983 /nfs/dbraw/zinc/86/99/83/183869983.db2.gz JVKQYVMCOLSCDO-UHFFFAOYSA-N 0 0 322.409 0.958 50 0 DCAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccnc1)N1CCCCC1 ZINC000055098813 183964230 /nfs/dbraw/zinc/96/42/30/183964230.db2.gz YDRIBZVXSUSYPU-OAHLLOKOSA-N 0 0 316.405 0.785 50 0 DCAARN CCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1F ZINC000055255007 183974689 /nfs/dbraw/zinc/97/46/89/183974689.db2.gz RUEUZDJBOKMIMI-AWEZNQCLSA-N 0 0 307.369 0.995 50 0 DCAARN CCCn1nnnc1CN1CCN(C(=O)c2ccoc2C)CC1 ZINC000056513256 184014778 /nfs/dbraw/zinc/01/47/78/184014778.db2.gz ZAOUASFJEHCALP-UHFFFAOYSA-N 0 0 318.381 0.943 50 0 DCAARN NS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1(c2ccccc2)CC1 ZINC000056390553 184011916 /nfs/dbraw/zinc/01/19/16/184011916.db2.gz YGUHBSBMKUKZGT-CYBMUJFWSA-N 0 0 323.418 0.502 50 0 DCAARN Cn1cc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)cn1 ZINC000057144986 184028139 /nfs/dbraw/zinc/02/81/39/184028139.db2.gz OOUTZUBLGVUERB-UHFFFAOYSA-N 0 0 300.366 0.978 50 0 DCAARN CN1C[C@@H](C(=O)NCCc2cc(F)cc3c2OCOC3)CC1=O ZINC000057265051 184031102 /nfs/dbraw/zinc/03/11/02/184031102.db2.gz DUAXACSWDVNMHM-NSHDSACASA-N 0 0 322.336 0.829 50 0 DCAARN O=C(N[C@H]1CCCCNC1=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000056978690 184023244 /nfs/dbraw/zinc/02/32/44/184023244.db2.gz ZJYSXWLUHRLNQB-GXTWGEPZSA-N 0 0 301.346 0.965 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000058191138 184085815 /nfs/dbraw/zinc/08/58/15/184085815.db2.gz NBAUUZXWKDFQAB-UHFFFAOYSA-N 0 0 300.380 0.426 50 0 DCAARN Cc1ccc2nc(NCCN3CCOCC3)n(C)c(=O)c2c1 ZINC000058202259 184087663 /nfs/dbraw/zinc/08/76/63/184087663.db2.gz NGUPURHYVCWMAB-UHFFFAOYSA-N 0 0 302.378 0.986 50 0 DCAARN NC(=O)NC(=O)CN1CCCN(Cc2ccccc2F)CC1 ZINC000058229761 184091145 /nfs/dbraw/zinc/09/11/45/184091145.db2.gz YFDCXDZHHJVQJL-UHFFFAOYSA-N 0 0 308.357 0.528 50 0 DCAARN COc1cc2nc(CN(CCO)C3CC3)[nH]c(=O)c2cc1OC ZINC000058154703 184081570 /nfs/dbraw/zinc/08/15/70/184081570.db2.gz JHFLOUGJNXZJSJ-UHFFFAOYSA-N 0 0 319.361 0.897 50 0 DCAARN COCCN(CC(=O)N(C)C)Cn1ncn(C2CC2)c1=S ZINC000058160891 184081933 /nfs/dbraw/zinc/08/19/33/184081933.db2.gz CYINZPGSGACVGS-UHFFFAOYSA-N 0 0 313.427 0.743 50 0 DCAARN Cn1cc(S(=O)(=O)NCCNC(=O)Cc2ccccc2)cn1 ZINC000058265771 184096557 /nfs/dbraw/zinc/09/65/57/184096557.db2.gz IHENFFRECOTHDV-UHFFFAOYSA-N 0 0 322.390 0.057 50 0 DCAARN Cc1ccccc1-c1noc(=O)n1CC(=O)N1CCNC1=O ZINC000058281474 184099387 /nfs/dbraw/zinc/09/93/87/184099387.db2.gz IMKMBDWWHTYCGR-UHFFFAOYSA-N 0 0 302.290 0.364 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000058323138 184104807 /nfs/dbraw/zinc/10/48/07/184104807.db2.gz CGDXUPDQMJSJJD-QWHCGFSZSA-N 0 0 311.426 0.960 50 0 DCAARN CCc1noc([C@H](C)N2CCN(CCN3CCNC3=O)CC2)n1 ZINC000058415467 184115209 /nfs/dbraw/zinc/11/52/09/184115209.db2.gz QBBUNXFDGCPAAS-LBPRGKRZSA-N 0 0 322.413 0.336 50 0 DCAARN Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCCC2)c1C ZINC000061757146 184186541 /nfs/dbraw/zinc/18/65/41/184186541.db2.gz XAOKNPURVHNAHE-UHFFFAOYSA-N 0 0 311.407 0.985 50 0 DCAARN CC(C)Cn1c(=O)c2nscc2n(CC(=O)NC(C)C)c1=O ZINC000065184965 184314013 /nfs/dbraw/zinc/31/40/13/184314013.db2.gz PUMJAJSHVUQSAD-UHFFFAOYSA-N 0 0 324.406 0.800 50 0 DCAARN O=C(CN1CCc2ccccc2C1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000065385033 184333163 /nfs/dbraw/zinc/33/31/63/184333163.db2.gz XVCFFUWUWCDFQL-CVEARBPZSA-N 0 0 313.401 0.924 50 0 DCAARN Cc1noc(C)c1-n1c(CCCN2CCOCC2)n[nH]c1=O ZINC000065376023 184331466 /nfs/dbraw/zinc/33/14/66/184331466.db2.gz MWQVUAJRONONEV-UHFFFAOYSA-N 0 0 307.354 0.430 50 0 DCAARN Cc1ccc(-n2c(CN(C)S(C)(=O)=O)n[nH]c2=O)cc1C ZINC000065408485 184339428 /nfs/dbraw/zinc/33/94/28/184339428.db2.gz VVVRUZZXGWCBNK-UHFFFAOYSA-N 0 0 310.379 0.569 50 0 DCAARN COC[C@@H](O)CN(C)C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000065427620 184343583 /nfs/dbraw/zinc/34/35/83/184343583.db2.gz IIDFBRSLISQVIT-AWEZNQCLSA-N 0 0 322.409 0.831 50 0 DCAARN CCn1nc(C)c(NC(=O)CN2CCN(C(C)=O)CC2)c1C ZINC000065463814 184349569 /nfs/dbraw/zinc/34/95/69/184349569.db2.gz VVEZUFRRJRESMR-UHFFFAOYSA-N 0 0 307.398 0.622 50 0 DCAARN CC(=O)N1CCN(CC2=CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000065465382 184350046 /nfs/dbraw/zinc/35/00/46/184350046.db2.gz VDKLMAUESLQLPT-UHFFFAOYSA-N 0 0 320.437 0.061 50 0 DCAARN Cc1ncc(C(=O)NCCn2nc3ccccn3c2=O)s1 ZINC000065402426 184337311 /nfs/dbraw/zinc/33/73/11/184337311.db2.gz VTGBNYMIIZZDDT-UHFFFAOYSA-N 0 0 303.347 0.691 50 0 DCAARN Cn1ccn2ncc(C(=O)NCCC(=O)Nc3nccs3)c12 ZINC000065404681 184337863 /nfs/dbraw/zinc/33/78/63/184337863.db2.gz LXDRHJMLHALPAY-UHFFFAOYSA-N 0 0 318.362 0.888 50 0 DCAARN Cc1cccc(C(C)C)c1NC(=O)CN[C@H](C(N)=O)[C@@H](C)O ZINC000065525815 184359337 /nfs/dbraw/zinc/35/93/37/184359337.db2.gz MTXYMSJBOQQSMD-ABAIWWIYSA-N 0 0 307.394 0.881 50 0 DCAARN Cc1n[nH]c(CCC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C(=O)[O-])C2)c1C ZINC000065526278 184359391 /nfs/dbraw/zinc/35/93/91/184359391.db2.gz PPPXUTUQQOLTKN-LRDDRELGSA-N 0 0 320.393 0.434 50 0 DCAARN CCc1nc(C)c(CN2CCC(NS(C)(=O)=O)CC2)[nH]1 ZINC000065525539 184359789 /nfs/dbraw/zinc/35/97/89/184359789.db2.gz YDBCCIDHMZOCCT-UHFFFAOYSA-N 0 0 300.428 0.794 50 0 DCAARN Cc1ccsc1[C@@H]1CCN(C(=O)Cn2nnnc2N)C[C@H]1O ZINC000065528915 184360004 /nfs/dbraw/zinc/36/00/04/184360004.db2.gz KJFSINHZMFQMCL-NXEZZACHSA-N 0 0 322.394 0.002 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000065536060 184362504 /nfs/dbraw/zinc/36/25/04/184362504.db2.gz QLUSMEPTSCEDDB-INIZCTEOSA-N 0 0 323.368 0.891 50 0 DCAARN CCOCCO[C@H](C)C(=O)NCCNC(=O)Cc1ccccc1 ZINC000065550938 184364546 /nfs/dbraw/zinc/36/45/46/184364546.db2.gz QYKHVXVYPDUMQU-CQSZACIVSA-N 0 0 322.405 0.903 50 0 DCAARN C[C@@H](O)CN(CC(=O)N[C@@H]1CCCCNC1=O)c1ccccc1 ZINC000065554287 184365708 /nfs/dbraw/zinc/36/57/08/184365708.db2.gz JDIRGLYKHPZYDU-UKRRQHHQSA-N 0 0 319.405 0.659 50 0 DCAARN CCCn1nnnc1CN1CCc2ncnc(OCC)c2C1 ZINC000065595896 184370953 /nfs/dbraw/zinc/37/09/53/184370953.db2.gz VOGAYSGHXBAAOF-UHFFFAOYSA-N 0 0 303.370 0.830 50 0 DCAARN Cc1nc(C)c(CCC(=O)N[C@H]2CCc3nccn3C2)c(=O)[nH]1 ZINC000065603696 184371425 /nfs/dbraw/zinc/37/14/25/184371425.db2.gz CFSJUYQWTKMCFF-LBPRGKRZSA-N 0 0 315.377 0.647 50 0 DCAARN CCc1noc(CN2CCN(CC(=O)N[C@@H](C)CC)CC2)n1 ZINC000065605103 184371790 /nfs/dbraw/zinc/37/17/90/184371790.db2.gz FFRGDKVYFJUEFW-LBPRGKRZSA-N 0 0 309.414 0.664 50 0 DCAARN CC(C)c1noc(CCC(=O)N2CCCN(CC(N)=O)CC2)n1 ZINC000065495483 184354803 /nfs/dbraw/zinc/35/48/03/184354803.db2.gz KVISBHKCLNOYIR-UHFFFAOYSA-N 0 0 323.397 0.145 50 0 DCAARN Cc1ncsc1CCC(=O)N1CCN2CCNC(=O)[C@@H]2C1 ZINC000065507846 184356574 /nfs/dbraw/zinc/35/65/74/184356574.db2.gz SQVZLYYNJHQFJS-NSHDSACASA-N 0 0 308.407 0.027 50 0 DCAARN CS(=O)(=O)N1CCN(Cn2nccc2-c2ccncc2)CC1 ZINC000065522465 184358974 /nfs/dbraw/zinc/35/89/74/184358974.db2.gz VVSALEJYOKLGTQ-UHFFFAOYSA-N 0 0 321.406 0.480 50 0 DCAARN COC[C@@]1(C)NC(=O)N(CC(=O)N2CCCCCCC2)C1=O ZINC000066083125 184388154 /nfs/dbraw/zinc/38/81/54/184388154.db2.gz UWZZSYGQVGPWCD-OAHLLOKOSA-N 0 0 311.382 0.736 50 0 DCAARN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1F ZINC000069419477 184513569 /nfs/dbraw/zinc/51/35/69/184513569.db2.gz XWEZONLLJKWTJK-VIFPVBQESA-N 0 0 304.318 0.864 50 0 DCAARN O=CN1CCCN(c2nc3nonc3nc2N2CCCC2)CC1 ZINC000012473753 285029469 /nfs/dbraw/zinc/02/94/69/285029469.db2.gz PMLZFSQZOOPLFX-UHFFFAOYSA-N 0 0 317.353 0.282 50 0 DCAARN CCOc1ccnc2c1c(=O)n(CC(=O)NC(C)C)c(=O)n2C ZINC000009571931 256524280 /nfs/dbraw/zinc/52/42/80/256524280.db2.gz PMXJYZLVHMOCCE-UHFFFAOYSA-N 0 0 320.349 0.019 50 0 DCAARN Cc1ccccc1C(=O)NCCn1c(=O)[nH]c2ncccc2c1=O ZINC000225794890 256597485 /nfs/dbraw/zinc/59/74/85/256597485.db2.gz FGQZNSMOXVHHSS-UHFFFAOYSA-N 0 0 324.340 0.823 50 0 DCAARN O=C(CCn1cnnn1)NCc1cc(Cl)cc2c1OCOC2 ZINC000524735198 257213428 /nfs/dbraw/zinc/21/34/28/257213428.db2.gz FMEZYIDNBLRHDJ-UHFFFAOYSA-N 0 0 323.740 0.900 50 0 DCAARN O=C(Cn1cnnn1)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 ZINC000222579511 257274361 /nfs/dbraw/zinc/27/43/61/257274361.db2.gz SRSDRCUNVSCTIH-CHWSQXEVSA-N 0 0 321.312 0.165 50 0 DCAARN CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCCn1ccnc1C ZINC000222579595 257274486 /nfs/dbraw/zinc/27/44/86/257274486.db2.gz DVCGSIXEKYCWHF-SLBVQIDZSA-N 0 0 320.393 0.380 50 0 DCAARN CC(C)C(=O)N[C@@H](CO)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000362496349 257236397 /nfs/dbraw/zinc/23/63/97/257236397.db2.gz FZNHGFQFLSWHEJ-ZDUSSCGKSA-N 0 0 319.361 0.643 50 0 DCAARN O=C(c1ccccc1-n1cnnc1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000426717028 257243615 /nfs/dbraw/zinc/24/36/15/257243615.db2.gz TYWDAYXWVJFBDU-NSHDSACASA-N 0 0 313.317 0.544 50 0 DCAARN Cn1cnnc1CCC(=O)NC1CCN(c2cnccn2)CC1 ZINC000426642895 257245294 /nfs/dbraw/zinc/24/52/94/257245294.db2.gz MRVXKEAPWWVGJC-UHFFFAOYSA-N 0 0 315.381 0.323 50 0 DCAARN O=C(C[C@H]1CCCOC1)NCc1nc(-c2cnccn2)n[nH]1 ZINC000426613619 257245518 /nfs/dbraw/zinc/24/55/18/257245518.db2.gz KDBPWRXEWFPURJ-SNVBAGLBSA-N 0 0 302.338 0.695 50 0 DCAARN Cc1ccn2c(nnc2C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)n1 ZINC000426574713 257245873 /nfs/dbraw/zinc/24/58/73/257245873.db2.gz KNLORYRWSXCXNA-RYUDHWBXSA-N 0 0 316.365 0.026 50 0 DCAARN C[C@@H](C(=O)NCCn1cncn1)c1n[nH]c(=O)c2ccccc21 ZINC000426535227 257246595 /nfs/dbraw/zinc/24/65/95/257246595.db2.gz SNGLDOSJOANIQM-SNVBAGLBSA-N 0 0 312.333 0.847 50 0 DCAARN CN1C(=O)COc2ccc(C(=O)N3CCn4cncc4C3)cc21 ZINC000426566884 257246719 /nfs/dbraw/zinc/24/67/19/257246719.db2.gz LKWQXLLZRCCKLC-UHFFFAOYSA-N 0 0 312.329 0.894 50 0 DCAARN O=C(NCCc1c[nH]cn1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000426490220 257249605 /nfs/dbraw/zinc/24/96/05/257249605.db2.gz QAXKSMQQYCMGIK-OAHLLOKOSA-N 0 0 321.425 0.849 50 0 DCAARN CC(=O)NCc1cc2n(n1)CCN([C@H](C)C(=O)N1CCCC1)C2 ZINC000426478094 257249636 /nfs/dbraw/zinc/24/96/36/257249636.db2.gz VZZOCQJDPFNQNH-GFCCVEGCSA-N 0 0 319.409 0.346 50 0 DCAARN C[C@@H](C(=O)NCCc1cn[nH]n1)n1cnc2ccccc2c1=O ZINC000426465253 257250592 /nfs/dbraw/zinc/25/05/92/257250592.db2.gz OYFQKNQACGORQJ-JTQLQIEISA-N 0 0 312.333 0.435 50 0 DCAARN C[N@@H+]1C[C@H](NC(=O)c2ccccc2-n2cncn2)C[C@H]1C(=O)[O-] ZINC000426392781 257252097 /nfs/dbraw/zinc/25/20/97/257252097.db2.gz JWHGHMDAHAXACS-MFKMUULPSA-N 0 0 315.333 0.154 50 0 DCAARN Cc1ncnc(N2CCN(C(=O)CN3CCOC3=O)CC2)c1C ZINC000426377897 257252561 /nfs/dbraw/zinc/25/25/61/257252561.db2.gz FSPSWBPOMDJUMF-UHFFFAOYSA-N 0 0 319.365 0.194 50 0 DCAARN CCS(=O)(=O)NCCCNS(=O)(=O)[C@@H](C)CC(C)C ZINC000069670125 184835237 /nfs/dbraw/zinc/83/52/37/184835237.db2.gz JMJZKPMVFLLUAG-NSHDSACASA-N 0 0 314.473 0.670 50 0 DCAARN C[C@@H]1COCCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000071804269 184847364 /nfs/dbraw/zinc/84/73/64/184847364.db2.gz OEVKHNMNBLLNBP-LLVKDONJSA-N 0 0 309.366 0.488 50 0 DCAARN CC(C)CNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000071921714 184906363 /nfs/dbraw/zinc/90/63/63/184906363.db2.gz KOBKKYXWBRZRMJ-UHFFFAOYSA-N 0 0 313.398 0.838 50 0 DCAARN COC(=O)CNC(=O)[C@H]1CSCCN1C(=O)OC(C)(C)C ZINC000390834933 533533623 /nfs/dbraw/zinc/53/36/23/533533623.db2.gz TVFOAFQVKJHVKG-SECBINFHSA-N 0 0 318.395 0.628 50 0 DCAARN Cn1nc([C@@H]2CCCN2CC(=O)Nc2nccs2)nc1N ZINC000284258908 131064459 /nfs/dbraw/zinc/06/44/59/131064459.db2.gz LYEJRTJBELAUJO-QMMMGPOBSA-N 0 0 307.383 0.629 50 0 DCAARN COC[C@@H](C)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000032660569 134682542 /nfs/dbraw/zinc/68/25/42/134682542.db2.gz ZKWUVYFMRRMRRN-MNOVXSKESA-N 0 0 304.350 0.476 50 0 DCAARN CCS(=O)(=O)NCCOc1cc(N2CCCCC2)ncn1 ZINC000038521684 134706764 /nfs/dbraw/zinc/70/67/64/134706764.db2.gz OJJOXWJONCQDEH-UHFFFAOYSA-N 0 0 314.411 0.785 50 0 DCAARN C[C@H]1CCCN(C(=O)Cn2nnn(-c3ccccc3)c2=O)C1 ZINC000008251141 395684267 /nfs/dbraw/zinc/68/42/67/395684267.db2.gz BKFJARWFXYXXCU-LBPRGKRZSA-N 0 0 301.350 0.688 50 0 DCAARN COCCNC(=O)[C@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 ZINC000008267067 395684302 /nfs/dbraw/zinc/68/43/02/395684302.db2.gz UQASLCIYUYBBRO-NSHDSACASA-N 0 0 322.361 0.819 50 0 DCAARN C[C@@]1(C2CC2)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O ZINC000008389884 395684482 /nfs/dbraw/zinc/68/44/82/395684482.db2.gz ODGJBOWVYIKMCX-AWEZNQCLSA-N 0 0 318.358 0.977 50 0 DCAARN CCCn1nnnc1COC(=O)[C@@H]1COc2ccccc2O1 ZINC000008516105 395684624 /nfs/dbraw/zinc/68/46/24/395684624.db2.gz ORJKRXRCBAAWMQ-LBPRGKRZSA-N 0 0 304.306 0.966 50 0 DCAARN Cc1nn(C)c(C)c1NC(=O)c1cnc2n(c1=O)CCS2 ZINC000008678638 395684792 /nfs/dbraw/zinc/68/47/92/395684792.db2.gz VXARNOFJXGLRJE-UHFFFAOYSA-N 0 0 305.363 0.952 50 0 DCAARN COCCCN1CC2=C(C1=O)[C@H](c1ccc(O)cc1)NC(=O)N2 ZINC000008718094 395684859 /nfs/dbraw/zinc/68/48/59/395684859.db2.gz UINMUNZKGRVQDN-AWEZNQCLSA-N 0 0 317.345 0.879 50 0 DCAARN CN1C(=O)NC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1=O ZINC000008769331 395684889 /nfs/dbraw/zinc/68/48/89/395684889.db2.gz IQXXFLKIRMADPM-UHFFFAOYSA-N 0 0 305.309 0.982 50 0 DCAARN COc1ccccc1CN(C)Cc1cc(=O)n(C)c(=O)n1C ZINC000008751006 395684901 /nfs/dbraw/zinc/68/49/01/395684901.db2.gz RDMKQDBMESBCQL-UHFFFAOYSA-N 0 0 303.362 0.725 50 0 DCAARN COCCN1CC2=C(C1=O)[C@H](c1ccc(O)cc1)NC(=O)N2 ZINC000008878129 395684986 /nfs/dbraw/zinc/68/49/86/395684986.db2.gz CTSDLDZFRIZACQ-ZDUSSCGKSA-N 0 0 303.318 0.489 50 0 DCAARN O=C(NCCO)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@@H]13)O2 ZINC000009302623 395685117 /nfs/dbraw/zinc/68/51/17/395685117.db2.gz YJHMFMCJDXYIOD-ZJOBFFGXSA-N 0 0 314.341 0.082 50 0 DCAARN Cc1c(CC(=O)Nn2cnnc2)c(=O)oc2cc(O)cc(O)c12 ZINC000009341617 395685318 /nfs/dbraw/zinc/68/53/18/395685318.db2.gz VOVAWAJDBBGNFM-UHFFFAOYSA-N 0 0 316.273 0.417 50 0 DCAARN O=C(NCCCn1ccnc1)c1c(O)nc2ccccn2c1=O ZINC000009830227 395685522 /nfs/dbraw/zinc/68/55/22/395685522.db2.gz VXZFUXUMWYWZGH-UHFFFAOYSA-N 0 0 313.317 0.417 50 0 DCAARN C[C@@H](Sc1nc(N)nc(N)n1)C(=O)NCCc1cccs1 ZINC000009835359 395685656 /nfs/dbraw/zinc/68/56/56/395685656.db2.gz QFDVFBAOOFERHQ-SSDOTTSWSA-N 0 0 324.435 0.937 50 0 DCAARN CN1CCN(NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000009915380 395685757 /nfs/dbraw/zinc/68/57/57/395685757.db2.gz PMXTTYJDGFLSQS-UHFFFAOYSA-N 0 0 314.748 0.696 50 0 DCAARN O=S(=O)(CCn1nnc(-c2ccccc2)n1)N1CCOCC1 ZINC000010490539 395686047 /nfs/dbraw/zinc/68/60/47/395686047.db2.gz IKPQKZOWGNTLAX-UHFFFAOYSA-N 0 0 323.378 0.002 50 0 DCAARN C[C@@H]1Cc2cc(C(=O)N3CCOCC3)ccc2N1S(C)(=O)=O ZINC000010324426 395686127 /nfs/dbraw/zinc/68/61/27/395686127.db2.gz IQKLGNLAHFCAHX-LLVKDONJSA-N 0 0 324.402 0.870 50 0 DCAARN C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000010541718 395686159 /nfs/dbraw/zinc/68/61/59/395686159.db2.gz ZETNEKKQPPPGJG-LBPRGKRZSA-N 0 0 317.455 0.763 50 0 DCAARN CCOC(=O)Cc1csc(NC(=O)c2nccnc2N)n1 ZINC000011173025 395686247 /nfs/dbraw/zinc/68/62/47/395686247.db2.gz HHTJUERFYNJSDM-UHFFFAOYSA-N 0 0 307.335 0.873 50 0 DCAARN CCCn1nnnc1COC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000011420915 395686567 /nfs/dbraw/zinc/68/65/67/395686567.db2.gz MXCAGKLXHHUUDD-NSHDSACASA-N 0 0 317.349 0.945 50 0 DCAARN C[C@H]1C(=O)NCCN1C(=O)CCS(=O)(=O)c1ccccc1 ZINC000011694208 395686829 /nfs/dbraw/zinc/68/68/29/395686829.db2.gz AYLZOUWPJOUSMB-NSHDSACASA-N 0 0 310.375 0.197 50 0 DCAARN CC1CCN(Cc2nnnn2CC(=O)N(C)[C@H]2CCOC2)CC1 ZINC000011874381 395686909 /nfs/dbraw/zinc/68/69/09/395686909.db2.gz SEVCHLHGWVJKIO-ZDUSSCGKSA-N 0 0 322.413 0.152 50 0 DCAARN Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)Nc1ccon1 ZINC000011927714 395686950 /nfs/dbraw/zinc/68/69/50/395686950.db2.gz QABUFMFHQQRFNG-UHFFFAOYSA-N 0 0 319.321 0.291 50 0 DCAARN COCCN1CC2=C(C1=O)[C@H](c1ccccc1F)NC(=O)N2 ZINC000012346632 395687393 /nfs/dbraw/zinc/68/73/93/395687393.db2.gz UHQZTBOAIWGFNU-ZDUSSCGKSA-N 0 0 305.309 0.922 50 0 DCAARN COC(=O)[C@@H]1[C@@H](c2cccnc2)[C@H](C(=O)OC)C(=O)C[C@]1(C)O ZINC000012660829 395687904 /nfs/dbraw/zinc/68/79/04/395687904.db2.gz AIIYGGXNHFQOGB-ZWUHOBOKSA-N 0 0 321.329 0.467 50 0 biogenic DCAARN CCOC(=O)N1CCN([C@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000012811324 395688014 /nfs/dbraw/zinc/68/80/14/395688014.db2.gz VMKRWANLSXGHCE-SNVBAGLBSA-N 0 0 323.401 0.355 50 0 DCAARN CCOC(=O)N1CCN([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000012811321 395688068 /nfs/dbraw/zinc/68/80/68/395688068.db2.gz VMKRWANLSXGHCE-JTQLQIEISA-N 0 0 323.401 0.355 50 0 DCAARN O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(=O)[nH]n1 ZINC000012883754 395688084 /nfs/dbraw/zinc/68/80/84/395688084.db2.gz JTLQRRVKPQWTBA-UHFFFAOYSA-N 0 0 315.333 0.344 50 0 DCAARN CN(CC(=O)N1CCNC1=O)C[C@@H]1COc2ccccc2O1 ZINC000012907383 395688186 /nfs/dbraw/zinc/68/81/86/395688186.db2.gz XIVKSQSRESKRIY-LLVKDONJSA-N 0 0 305.334 0.310 50 0 DCAARN Cc1c(CC(=O)NC(C)(C)CO)c(=O)oc2cc(O)cc(O)c12 ZINC000012896484 395688211 /nfs/dbraw/zinc/68/82/11/395688211.db2.gz VYEWLGQAUGSDSU-UHFFFAOYSA-N 0 0 321.329 0.942 50 0 biogenic DCAARN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)C ZINC000013012175 395688241 /nfs/dbraw/zinc/68/82/41/395688241.db2.gz NZBZBXZAOAGQJZ-LBPRGKRZSA-N 0 0 309.391 0.838 50 0 DCAARN CCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000012940706 395688282 /nfs/dbraw/zinc/68/82/82/395688282.db2.gz ZYHVFMVCBSACLA-UHFFFAOYSA-N 0 0 317.345 0.900 50 0 DCAARN Cc1cc(C)cc(OCC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000012973495 395688360 /nfs/dbraw/zinc/68/83/60/395688360.db2.gz OPLPKQWFQDZDQG-HNNXBMFYSA-N 0 0 322.405 0.492 50 0 DCAARN C[C@@H]1C[C@H](C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2C)C1 ZINC000013153137 395688463 /nfs/dbraw/zinc/68/84/63/395688463.db2.gz KBLIGQYDSKDSEU-AOOOYVTPSA-N 0 0 305.382 0.453 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NC1CCCCCCC1 ZINC000013582028 395688712 /nfs/dbraw/zinc/68/87/12/395688712.db2.gz ZCPIUFCEFAEMDF-UHFFFAOYSA-N 0 0 315.395 0.763 50 0 DCAARN CN(C)S(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1 ZINC000013677112 395688841 /nfs/dbraw/zinc/68/88/41/395688841.db2.gz UBSJELXNEFBZBM-UHFFFAOYSA-N 0 0 315.395 0.414 50 0 DCAARN CC(C)(CO)NC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000013732627 395688957 /nfs/dbraw/zinc/68/89/57/395688957.db2.gz OCEHNGUBZDWOES-UHFFFAOYSA-N 0 0 317.349 0.152 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000014215369 395689291 /nfs/dbraw/zinc/68/92/91/395689291.db2.gz VBHGHUHRSMJRDN-UHFFFAOYSA-N 0 0 316.317 0.042 50 0 DCAARN COC(=O)c1ccc(=O)n(CC(=O)NCCc2ccccc2)c1 ZINC000014381387 395689424 /nfs/dbraw/zinc/68/94/24/395689424.db2.gz YGQVIGNEGZUAFL-UHFFFAOYSA-N 0 0 314.341 0.994 50 0 DCAARN OCCN1CCN(Cc2nc(CCc3ccccc3)no2)CC1 ZINC000020601384 395691278 /nfs/dbraw/zinc/69/12/78/395691278.db2.gz VESQOFOOFJTHKK-UHFFFAOYSA-N 0 0 316.405 0.965 50 0 DCAARN COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1F ZINC000020568014 395691305 /nfs/dbraw/zinc/69/13/05/395691305.db2.gz XEORFKOPWIBWEL-UHFFFAOYSA-N 0 0 318.370 0.445 50 0 DCAARN CN1CC[NH+]([C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)[O-])CC1 ZINC000022584917 395691893 /nfs/dbraw/zinc/69/18/93/395691893.db2.gz LVIUGDLKQVZHDZ-ZDUSSCGKSA-N 0 0 309.341 0.855 50 0 DCAARN COC(=O)[C@H](CC(C)C)NC(=O)c1nc2nccc(C)n2n1 ZINC000024728792 395692925 /nfs/dbraw/zinc/69/29/25/395692925.db2.gz YUPVASYCPXIGFX-JTQLQIEISA-N 0 0 305.338 0.750 50 0 DCAARN Nc1nnnn1CC(=O)OCc1cccc(Br)c1 ZINC000000032773 395679650 /nfs/dbraw/zinc/67/96/50/395679650.db2.gz VIJUDDFYNYYMPQ-UHFFFAOYSA-N 0 0 312.127 0.761 50 0 DCAARN Cc1cccc(Cn2c(NN)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000000041507 395679704 /nfs/dbraw/zinc/67/97/04/395679704.db2.gz MYKGQQCHDRFLRR-UHFFFAOYSA-N 0 0 300.322 0.066 50 0 DCAARN CN1C(=O)C[C@H](N2CCN(C(=O)c3ccccc3)CC2)C1=O ZINC000000100587 395679843 /nfs/dbraw/zinc/67/98/43/395679843.db2.gz HKAMRVFRGGSXLI-ZDUSSCGKSA-N 0 0 301.346 0.202 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccnc2)C1 ZINC000000220633 395680089 /nfs/dbraw/zinc/68/00/89/395680089.db2.gz YECXXUPRFVBJGL-ZDUSSCGKSA-N 0 0 311.407 0.760 50 0 DCAARN CNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000000467164 395680455 /nfs/dbraw/zinc/68/04/55/395680455.db2.gz UXSGITODSYBHKI-UHFFFAOYSA-N 0 0 314.363 0.076 50 0 DCAARN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(N)=O ZINC000000611340 395680599 /nfs/dbraw/zinc/68/05/99/395680599.db2.gz GNBXNWCCLAAINE-LURJTMIESA-N 0 0 307.169 0.601 50 0 DCAARN CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000000818538 395680615 /nfs/dbraw/zinc/68/06/15/395680615.db2.gz PYASVNRLFSRGKQ-SNVBAGLBSA-N 0 0 300.355 0.972 50 0 DCAARN Cn1c([C@@H](O)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000001668898 395681110 /nfs/dbraw/zinc/68/11/10/395681110.db2.gz VVNNNEKIHIGAJU-NSHDSACASA-N 0 0 300.318 0.052 50 0 DCAARN COCCOC(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 ZINC000001892796 395681319 /nfs/dbraw/zinc/68/13/19/395681319.db2.gz MPUSGCBAMIGJAT-UHFFFAOYSA-N 0 0 323.374 0.921 50 0 DCAARN COCCn1c(NCc2ccco2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002099504 395681328 /nfs/dbraw/zinc/68/13/28/395681328.db2.gz GXFBVKSUKBWLHW-UHFFFAOYSA-N 0 0 319.321 0.275 50 0 biogenic DCAARN O=C(Nc1ccccc1)[C@H]1CC(=O)NC(N2CCOCC2)=N1 ZINC000002225642 395681397 /nfs/dbraw/zinc/68/13/97/395681397.db2.gz OUYXPHLMWQIPKK-GFCCVEGCSA-N 0 0 302.334 0.202 50 0 DCAARN CN(C(=O)COC(=O)c1c[nH]c(=O)[nH]c1=O)C1CCCCC1 ZINC000002638201 395681671 /nfs/dbraw/zinc/68/16/71/395681671.db2.gz RYXNMKODMNOKIU-UHFFFAOYSA-N 0 0 309.322 0.011 50 0 DCAARN Cc1c(Br)c(C(=O)NN2CCOCC2)nn1C ZINC000002775138 395681845 /nfs/dbraw/zinc/68/18/45/395681845.db2.gz OYZWDZJBZGFWOW-UHFFFAOYSA-N 0 0 303.160 0.468 50 0 DCAARN Cn1cc(Br)c(C(=O)NN2CCN(C)CC2)n1 ZINC000002770950 395681855 /nfs/dbraw/zinc/68/18/55/395681855.db2.gz OPLCQSXHICAMNZ-UHFFFAOYSA-N 0 0 302.176 0.075 50 0 DCAARN COCCNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O ZINC000002992203 395682086 /nfs/dbraw/zinc/68/20/86/395682086.db2.gz WDTNLYQBARUYJP-NSHDSACASA-N 0 0 300.380 0.604 50 0 DCAARN CC(=O)O[C@@H]1Cn2c(-c3cnccn3)nnc2N(C(C)=O)C1 ZINC000005383064 395682602 /nfs/dbraw/zinc/68/26/02/395682602.db2.gz QPRRTYVKPUSPAW-JTQLQIEISA-N 0 0 302.294 0.033 50 0 DCAARN CCc1nnc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)s1 ZINC000007347212 395683374 /nfs/dbraw/zinc/68/33/74/395683374.db2.gz PYSUPGZVFPAKKJ-UHFFFAOYSA-N 0 0 323.378 0.904 50 0 DCAARN CCc1ccc(S(=O)(=O)N2CCN(C[C@@H](C)O)CC2)s1 ZINC000085467178 395700999 /nfs/dbraw/zinc/70/09/99/395700999.db2.gz RTBYIBLUYITFJZ-LLVKDONJSA-N 0 0 318.464 0.998 50 0 DCAARN COCC(=O)NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O ZINC000085467643 395701080 /nfs/dbraw/zinc/70/10/80/395701080.db2.gz GEGOTKJZYNRSQN-CYBMUJFWSA-N 0 0 309.341 0.525 50 0 DCAARN O=C(NCCCn1cccn1)c1ccc(N2CCOCC2)nc1 ZINC000030167118 395702162 /nfs/dbraw/zinc/70/21/62/395702162.db2.gz JXODDFIMLJFMFT-UHFFFAOYSA-N 0 0 315.377 0.935 50 0 DCAARN CC(C)c1noc(CCC(=O)N[C@H]2CCS(=O)(=O)C2)n1 ZINC000030870707 395704668 /nfs/dbraw/zinc/70/46/68/395704668.db2.gz MEYKGNYYIPHUBT-VIFPVBQESA-N 0 0 301.368 0.429 50 0 DCAARN Cc1nc(C)c(CC(=O)Nc2nc(CC(N)=O)cs2)c(=O)[nH]1 ZINC000031257934 395706118 /nfs/dbraw/zinc/70/61/18/395706118.db2.gz HQFKKVNIZQYLHY-UHFFFAOYSA-N 0 0 321.362 0.052 50 0 DCAARN COc1ccc(OC)c([C@H](O)CNC(=O)c2cnccn2)c1 ZINC000031338968 395706313 /nfs/dbraw/zinc/70/63/13/395706313.db2.gz JMWNTPIHNJBYRA-CYBMUJFWSA-N 0 0 303.318 0.957 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)Cn2cccn2)o1 ZINC000031402663 395706747 /nfs/dbraw/zinc/70/67/47/395706747.db2.gz CZHWSQGEERQHDN-SECBINFHSA-N 0 0 312.351 0.203 50 0 DCAARN O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccc[nH]c1=O ZINC000031937967 395708414 /nfs/dbraw/zinc/70/84/14/395708414.db2.gz WBNJRUGZTBNTKH-OAHLLOKOSA-N 0 0 323.418 0.313 50 0 DCAARN CCc1nnc([C@@H](C)N2CCN(CCC(=O)NC3CC3)CC2)o1 ZINC000089296198 395710003 /nfs/dbraw/zinc/71/00/03/395710003.db2.gz AKHIRBSIAOHGQN-GFCCVEGCSA-N 0 0 321.425 0.979 50 0 DCAARN CNC(=O)C1CCN(C(=O)NCc2ccnc(N(C)C)c2)CC1 ZINC000089386019 395710590 /nfs/dbraw/zinc/71/05/90/395710590.db2.gz FQIPTDLTXWJQTM-UHFFFAOYSA-N 0 0 319.409 0.815 50 0 DCAARN NC(=O)c1ccc(N2CCC[C@H](C(=O)N3CCOCC3)C2)nc1 ZINC000032565257 395711560 /nfs/dbraw/zinc/71/15/60/395711560.db2.gz ZWFMSRAHTXVRSF-ZDUSSCGKSA-N 0 0 318.377 0.256 50 0 DCAARN O=C(NCCc1ccccn1)C1=NN(c2ccccc2)C(=O)CN1 ZINC000032657816 395712257 /nfs/dbraw/zinc/71/22/57/395712257.db2.gz CDTNBYJJEOJDPD-UHFFFAOYSA-N 0 0 323.356 0.690 50 0 DCAARN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCN(C)C[C@@H]1C ZINC000089505515 395712472 /nfs/dbraw/zinc/71/24/72/395712472.db2.gz XKNVUSFZLXCTRP-QMMMGPOBSA-N 0 0 315.395 0.320 50 0 DCAARN Cc1noc2ncc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc12 ZINC000089568239 395712983 /nfs/dbraw/zinc/71/29/83/395712983.db2.gz GYZFPNJXROTIOT-JTQLQIEISA-N 0 0 309.347 0.790 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc(C2CC2)s1 ZINC000032784216 395713240 /nfs/dbraw/zinc/71/32/40/395713240.db2.gz YXAFWBKVKAYRNA-QMMMGPOBSA-N 0 0 316.408 0.778 50 0 DCAARN NC(=O)CN1CCC(NC(=O)NCc2ccc(F)cc2)CC1 ZINC000032802736 395713873 /nfs/dbraw/zinc/71/38/73/395713873.db2.gz YWXNQVKLCCZQMW-UHFFFAOYSA-N 0 0 308.357 0.575 50 0 DCAARN Cn1ncnc1NC(=O)NCc1cccnc1N1CCOCC1 ZINC000089741196 395714320 /nfs/dbraw/zinc/71/43/20/395714320.db2.gz DJNXRWJIGKITHO-UHFFFAOYSA-N 0 0 317.353 0.368 50 0 DCAARN Cn1ncc2c1ncnc2N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000032923717 395714678 /nfs/dbraw/zinc/71/46/78/395714678.db2.gz WCECAMDQJUVDOQ-JTQLQIEISA-N 0 0 324.410 0.129 50 0 DCAARN CC(C)(C)c1noc(CCC(=O)N[C@H]2CCS(=O)(=O)C2)n1 ZINC000032977388 395715216 /nfs/dbraw/zinc/71/52/16/395715216.db2.gz XAVXIYYPTUFDQH-VIFPVBQESA-N 0 0 315.395 0.603 50 0 DCAARN CC(C)CNC(=O)c1nc[nH]c1C(=O)N[C@@H]1CCCCNC1=O ZINC000033003878 395715725 /nfs/dbraw/zinc/71/57/25/395715725.db2.gz BQKGNJABOZSRFC-SNVBAGLBSA-N 0 0 321.381 0.194 50 0 DCAARN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCN([C@@H]2CCOC2)CC1 ZINC000089885269 395715781 /nfs/dbraw/zinc/71/57/81/395715781.db2.gz LYTLRHCRUYQJOK-CHWSQXEVSA-N 0 0 312.414 0.016 50 0 DCAARN O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCSCC1 ZINC000089834787 395715783 /nfs/dbraw/zinc/71/57/83/395715783.db2.gz ZRAATQPCCDIZMK-CQSZACIVSA-N 0 0 320.414 0.989 50 0 DCAARN CCC(CC)NC(=O)[C@H](C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000089943163 395717565 /nfs/dbraw/zinc/71/75/65/395717565.db2.gz KVZHEXLKOPYUSH-LBPRGKRZSA-N 0 0 321.425 0.762 50 0 DCAARN O=C(CN1CCN(C(=O)C2CC2)CC1)NC(=O)NC1CCCC1 ZINC000035286972 395720311 /nfs/dbraw/zinc/72/03/11/395720311.db2.gz WMUWPOCXMAXWQT-UHFFFAOYSA-N 0 0 322.409 0.309 50 0 DCAARN COc1ccccc1OCCC(=O)N1CCN(CCO)CC1 ZINC000035585156 395720803 /nfs/dbraw/zinc/72/08/03/395720803.db2.gz YMZPYLUUFOYFNB-UHFFFAOYSA-N 0 0 308.378 0.601 50 0 DCAARN COCCCNC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O ZINC000036594852 395723188 /nfs/dbraw/zinc/72/31/88/395723188.db2.gz JQUNYMDCZQTAIL-GFCCVEGCSA-N 0 0 305.334 0.280 50 0 DCAARN Cc1cccc(C(=O)c2c(CN(C)C)n(C)c(=O)n(C)c2=O)c1 ZINC000036353271 395723216 /nfs/dbraw/zinc/72/32/16/395723216.db2.gz ZIGPGDPMSPQZBY-UHFFFAOYSA-N 0 0 315.373 0.685 50 0 DCAARN CCN(CC)S(=O)(=O)NC[C@](C)(CC)N1CCOCC1 ZINC000036392852 395723353 /nfs/dbraw/zinc/72/33/53/395723353.db2.gz YSLDEIXSVQDHSK-ZDUSSCGKSA-N 0 0 307.460 0.664 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000028223359 395695743 /nfs/dbraw/zinc/69/57/43/395695743.db2.gz DLLCSBPBRHDOFU-GRYCIOLGSA-N 0 0 304.412 0.294 50 0 DCAARN CCNC(=O)COc1ccc(N[C@@H](C)C(=O)NC(N)=O)cc1 ZINC000028377430 395696012 /nfs/dbraw/zinc/69/60/12/395696012.db2.gz PODPNDHMBGEGCH-VIFPVBQESA-N 0 0 308.338 0.197 50 0 DCAARN CC(=O)N1CCN(C(=O)CSc2nc(C)cc(C)n2)CC1 ZINC000028425362 395696097 /nfs/dbraw/zinc/69/60/97/395696097.db2.gz JRRSRMUXEBSKNL-UHFFFAOYSA-N 0 0 308.407 0.876 50 0 DCAARN CS(=O)(=O)N1CCN(CCC(=O)Nc2ccccc2)CC1 ZINC000028891680 395696395 /nfs/dbraw/zinc/69/63/95/395696395.db2.gz DMPLGPYHUAQUTM-UHFFFAOYSA-N 0 0 311.407 0.592 50 0 DCAARN c1cc(NC[C@@]2(N3CCOCC3)CCSC2)nn2nnnc12 ZINC000029626023 395699171 /nfs/dbraw/zinc/69/91/71/395699171.db2.gz COJBCISDGWFFAT-ZDUSSCGKSA-N 0 0 321.410 0.139 50 0 DCAARN CCN(C[C@@H]1CN(CCn2cncn2)CCO1)c1cccnn1 ZINC000084774634 395699246 /nfs/dbraw/zinc/69/92/46/395699246.db2.gz RONWTKCEMYFJRW-AWEZNQCLSA-N 0 0 317.397 0.295 50 0 DCAARN CS(=O)(=O)NCCn1ncc2c1ncnc2N1CCCCC1 ZINC000038522009 395732490 /nfs/dbraw/zinc/73/24/90/395732490.db2.gz WHOOSKCMZBFBQQ-UHFFFAOYSA-N 0 0 324.410 0.366 50 0 DCAARN C[C@H]1Oc2ccccc2N(CC(=O)NCCn2ccnc2)C1=O ZINC000040479891 395733843 /nfs/dbraw/zinc/73/38/43/395733843.db2.gz SXPIPOUXELRPQQ-GFCCVEGCSA-N 0 0 314.345 0.813 50 0 DCAARN O=S(=O)(C[C@H]1CCCO1)N[C@@H]1CCCCC12OCCO2 ZINC000095443795 395740947 /nfs/dbraw/zinc/74/09/47/395740947.db2.gz QYPYZQBWOVVSMV-VXGBXAGGSA-N 0 0 305.396 0.771 50 0 DCAARN Cc1nsc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000096098491 395744323 /nfs/dbraw/zinc/74/43/23/395744323.db2.gz SUJSRJZHWOBZCA-SNVBAGLBSA-N 0 0 310.379 0.310 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(N)=O ZINC000096125667 395745563 /nfs/dbraw/zinc/74/55/63/395745563.db2.gz MHPDMIWYDMGEEE-UHFFFAOYSA-N 0 0 312.391 0.898 50 0 DCAARN Cc1nn(C)c(C)c1/C=C\C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000096400591 395752857 /nfs/dbraw/zinc/75/28/57/395752857.db2.gz NDNVKNXRHLYEJD-FOQNGQEVSA-N 0 0 311.407 0.696 50 0 DCAARN CC(=O)c1cn(Cc2nnsc2Cl)c(=O)n(C)c1=O ZINC000096466323 395753718 /nfs/dbraw/zinc/75/37/18/395753718.db2.gz VZRAPNRULQXTHB-UHFFFAOYSA-N 0 0 300.727 0.303 50 0 DCAARN CC(C)C[C@@H](C(=O)NCC[S@@](C)=O)N1CCCCC1=O ZINC000096461582 395753735 /nfs/dbraw/zinc/75/37/35/395753735.db2.gz RTGIDBSQHQEXHG-YUNKPMOVSA-N 0 0 302.440 0.908 50 0 DCAARN CCOc1ccc(N2C(=O)C[C@H](N3CCN(C)CC3)C2=O)cc1 ZINC000096569062 395754574 /nfs/dbraw/zinc/75/45/74/395754574.db2.gz BFDVTZAKPDALSG-HNNXBMFYSA-N 0 0 317.389 0.965 50 0 DCAARN CCN(CCO)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000097177234 395755083 /nfs/dbraw/zinc/75/50/83/395755083.db2.gz KADFYQXFBAAYFO-HNNXBMFYSA-N 0 0 304.390 0.918 50 0 DCAARN OCCn1ncc2c1ncnc2NCCc1nnc2ccccn21 ZINC000097200336 395755607 /nfs/dbraw/zinc/75/56/07/395755607.db2.gz JAYQVAPVOHNVJM-UHFFFAOYSA-N 0 0 324.348 0.516 50 0 DCAARN Cc1cc(C)n(CCC(=O)N[C@@H]2CCc3nnc(C)n3C2)n1 ZINC000097198995 395755771 /nfs/dbraw/zinc/75/57/71/395755771.db2.gz PEVBQBQEDNBVGF-CYBMUJFWSA-N 0 0 302.382 0.921 50 0 DCAARN CN(C)C(=O)CCCS(=O)(=O)CC(=O)N1CCCCC1 ZINC000097325384 395756851 /nfs/dbraw/zinc/75/68/51/395756851.db2.gz WSTPEDYKJDVYAL-UHFFFAOYSA-N 0 0 304.412 0.282 50 0 DCAARN C[C@H](NC(=O)c1ccc2nnnn2c1)c1nnc2ccccn21 ZINC000096231244 395750976 /nfs/dbraw/zinc/75/09/76/395750976.db2.gz CBSPMUPKIHZBRR-VIFPVBQESA-N 0 0 308.305 0.658 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3cnn(C)c3)CCO2)[nH]1 ZINC000106917994 395784762 /nfs/dbraw/zinc/78/47/62/395784762.db2.gz WZZLMOHHNZHHFL-AVGNSLFASA-N 0 0 316.365 0.550 50 0 DCAARN C[C@H]1C[N@H+](C)C[C@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000107058926 395784939 /nfs/dbraw/zinc/78/49/39/395784939.db2.gz XDESDXJMZMBZCT-IINYFYTJSA-N 0 0 323.418 0.201 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)N1CCN(c2cnccn2)CC1 ZINC000044969565 395760157 /nfs/dbraw/zinc/76/01/57/395760157.db2.gz VMULJRBBTLGCDL-ZDUSSCGKSA-N 0 0 315.381 0.593 50 0 DCAARN O=C(NCCCN1CCCC1=O)c1ccc(-n2cnnc2)nc1 ZINC000097698842 395760332 /nfs/dbraw/zinc/76/03/32/395760332.db2.gz GYMMKLHZONEYDR-UHFFFAOYSA-N 0 0 314.349 0.405 50 0 DCAARN COc1cc(CN2CCO[C@H](C(N)=O)C2)cc(OC)c1OC ZINC000097815242 395760994 /nfs/dbraw/zinc/76/09/94/395760994.db2.gz NEBWVVFXNMWJAR-ZDUSSCGKSA-N 0 0 310.350 0.399 50 0 DCAARN O=CN1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000100567224 395763222 /nfs/dbraw/zinc/76/32/22/395763222.db2.gz WMVUAJDVQZANHV-CYBMUJFWSA-N 0 0 305.309 0.232 50 0 DCAARN CC1(C)NC(=O)N(CCN2CCN(CC(F)(F)F)CC2)C1=O ZINC000045736422 395765373 /nfs/dbraw/zinc/76/53/73/395765373.db2.gz LQHZMRROSAJAMS-UHFFFAOYSA-N 0 0 322.331 0.497 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1 ZINC000045742106 395765509 /nfs/dbraw/zinc/76/55/09/395765509.db2.gz DZGVVUUSIHJRGA-NSHDSACASA-N 0 0 322.390 0.610 50 0 DCAARN CCOC(=O)[C@@H]1CCCCN1CCN1C(=O)NC(C)(C)C1=O ZINC000045736022 395765651 /nfs/dbraw/zinc/76/56/51/395765651.db2.gz HBYASDYWBJRVFL-NSHDSACASA-N 0 0 311.382 0.734 50 0 DCAARN Cc1csc(CCCNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000102304339 395769829 /nfs/dbraw/zinc/76/98/29/395769829.db2.gz RAUMIVKNUPLQBQ-SNVBAGLBSA-N 0 0 302.421 0.935 50 0 DCAARN C[C@@H]1COCCN1C(=O)NCc1cccnc1-n1cncn1 ZINC000046096557 395770505 /nfs/dbraw/zinc/77/05/05/395770505.db2.gz FWDGYGRNSMLHLU-LLVKDONJSA-N 0 0 302.338 0.593 50 0 DCAARN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCO[C@H](C)C1 ZINC000103505207 395773798 /nfs/dbraw/zinc/77/37/98/395773798.db2.gz FNTAFAAVKJGXIU-NXEZZACHSA-N 0 0 304.350 0.904 50 0 DCAARN Cc1ccc(S(=O)(=O)NCC2(C(N)=O)CCOCC2)cc1 ZINC000048009713 395805720 /nfs/dbraw/zinc/80/57/20/395805720.db2.gz DNNCLRWJKJXDSU-UHFFFAOYSA-N 0 0 312.391 0.555 50 0 DCAARN Cc1cc(CN2CCN(C(=O)CN3CCCC3=O)CC2)on1 ZINC000048252662 395811654 /nfs/dbraw/zinc/81/16/54/395811654.db2.gz WLAWLDDHIWVRAQ-UHFFFAOYSA-N 0 0 306.366 0.250 50 0 DCAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CCn1cncn1 ZINC000048278115 395812481 /nfs/dbraw/zinc/81/24/81/395812481.db2.gz HMFTXXAZDORZGK-LBPRGKRZSA-N 0 0 302.334 0.967 50 0 DCAARN Cc1ccc(O)c(C(=O)N2CCCN(S(C)(=O)=O)CC2)c1 ZINC000048354046 395813998 /nfs/dbraw/zinc/81/39/98/395813998.db2.gz XIQXMWUUEGSKLL-UHFFFAOYSA-N 0 0 312.391 0.808 50 0 DCAARN NC(=O)NC(=O)CCSc1nnnn1Cc1cccs1 ZINC000049458755 395832064 /nfs/dbraw/zinc/83/20/64/395832064.db2.gz WTOWPJWLXVWQDD-UHFFFAOYSA-N 0 0 312.380 0.460 50 0 DCAARN COc1ccc(O[C@@H]2CCN(C(=O)c3ccc(=O)[nH]c3)C2)nn1 ZINC000225433095 395860183 /nfs/dbraw/zinc/86/01/83/395860183.db2.gz MUFYBMDSNPXTNO-LLVKDONJSA-N 0 0 316.317 0.467 50 0 DCAARN Cc1nccn1[C@@H](C)CC(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000219308176 395844414 /nfs/dbraw/zinc/84/44/14/395844414.db2.gz BMTNMOYEVPWUTB-VIFPVBQESA-N 0 0 304.354 0.579 50 0 DCAARN Cc1csc(SCC(=O)NCCN2CCNC2=O)n1 ZINC000219492068 395845619 /nfs/dbraw/zinc/84/56/19/395845619.db2.gz DDQVHNQTXDIHDG-UHFFFAOYSA-N 0 0 300.409 0.685 50 0 DCAARN O=C(CCn1cncn1)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000219333712 395845646 /nfs/dbraw/zinc/84/56/46/395845646.db2.gz FTANHMBYXWHLDN-TYNCELHUSA-N 0 0 301.350 0.692 50 0 DCAARN COc1nn(C)cc1C(=O)N1CCC[C@@H](Oc2cnccn2)C1 ZINC000225471420 395860722 /nfs/dbraw/zinc/86/07/22/395860722.db2.gz QAFDTNHFDGLHQO-LLVKDONJSA-N 0 0 317.349 0.902 50 0 DCAARN Cc1nnc(SCC(=O)NCCN2CCNC2=O)s1 ZINC000220149025 395848108 /nfs/dbraw/zinc/84/81/08/395848108.db2.gz INYZAPGDBLCHDJ-UHFFFAOYSA-N 0 0 301.397 0.080 50 0 DCAARN COc1cccc(CC(=O)N[C@@H]2CCOC[C@H]2OCCO)c1 ZINC000220548529 395848433 /nfs/dbraw/zinc/84/84/33/395848433.db2.gz DQEQEYTVDFINNW-HUUCEWRRSA-N 0 0 309.362 0.520 50 0 DCAARN Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC(N)=O)ccc1F ZINC000220493210 395848730 /nfs/dbraw/zinc/84/87/30/395848730.db2.gz NLBLNPGBONMHOL-OLZOCXBDSA-N 0 0 310.325 0.523 50 0 DCAARN Cc1cnc(C)c(N2CCN(C(=O)CN3CCCC3=O)CC2)n1 ZINC000220649290 395849813 /nfs/dbraw/zinc/84/98/13/395849813.db2.gz KGHKUWRXRVTLCF-UHFFFAOYSA-N 0 0 317.393 0.364 50 0 DCAARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CCn1nnnc1C ZINC000222419858 395852769 /nfs/dbraw/zinc/85/27/69/395852769.db2.gz LSLOGPJSOMZPTL-KGLIPLIRSA-N 0 0 323.397 0.628 50 0 DCAARN Cc1ccnc(SCC(=O)NCCSc2c[nH]nn2)n1 ZINC000222382115 395852840 /nfs/dbraw/zinc/85/28/40/395852840.db2.gz LLAGZHRWPPAZAJ-UHFFFAOYSA-N 0 0 310.408 0.904 50 0 DCAARN O=C(NCCN1CCOCC1)C1CCN(CC(F)(F)F)CC1 ZINC000047296347 395790519 /nfs/dbraw/zinc/79/05/19/395790519.db2.gz ZYMBIMPWCYUNLL-UHFFFAOYSA-N 0 0 323.359 0.709 50 0 DCAARN C[C@H](NS(=O)(=O)c1cccc2nsnc21)c1nncn1C ZINC000047331463 395790617 /nfs/dbraw/zinc/79/06/17/395790617.db2.gz ONTGLRPRUPEFFT-ZETCQYMHSA-N 0 0 324.391 0.859 50 0 DCAARN NC(=O)CCNC(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000194345737 395794225 /nfs/dbraw/zinc/79/42/25/395794225.db2.gz CATDKCMVYVMLFR-JTQLQIEISA-N 0 0 313.151 0.744 50 0 DCAARN CN1C(=O)C(=O)N(CN2CCN(C)C[C@H]2c2ccccc2)C1=O ZINC000054519408 395901906 /nfs/dbraw/zinc/90/19/06/395901906.db2.gz FRPGJVPZOFFFCH-ZDUSSCGKSA-N 0 0 316.361 0.353 50 0 DCAARN COCCN1CCN(CC(=O)N2CCc3sccc3C2)CC1 ZINC000054867596 395907284 /nfs/dbraw/zinc/90/72/84/395907284.db2.gz KCOBCZPBWGUUNU-UHFFFAOYSA-N 0 0 323.462 0.897 50 0 DCAARN O=C(c1c[nH]c(=O)cn1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000055212006 395914444 /nfs/dbraw/zinc/91/44/44/395914444.db2.gz NFEUBMAJHVTFHE-UHFFFAOYSA-N 0 0 316.336 0.867 50 0 DCAARN CC(=O)N1CCC[C@@H](C(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000055230713 395914457 /nfs/dbraw/zinc/91/44/57/395914457.db2.gz QNKTYEQBTFIYNG-CQSZACIVSA-N 0 0 317.393 0.384 50 0 DCAARN CC[C@@H](C)n1nccc1NC(=O)CCn1ccc(=O)[nH]c1=O ZINC000055343514 395917740 /nfs/dbraw/zinc/91/77/40/395917740.db2.gz SHCTXTYSZAXHTC-SNVBAGLBSA-N 0 0 305.338 0.733 50 0 DCAARN CS(=O)(=O)N1CCN(Cc2cc(-c3cccnc3)no2)CC1 ZINC000244831490 395925506 /nfs/dbraw/zinc/92/55/06/395925506.db2.gz UERAXGPREXTMRK-UHFFFAOYSA-N 0 0 322.390 0.814 50 0 DCAARN CN1CCN(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)CC1 ZINC000245174546 395926828 /nfs/dbraw/zinc/92/68/28/395926828.db2.gz YRNMXCKFSBSQAD-ZDUSSCGKSA-N 0 0 306.366 0.142 50 0 DCAARN Cc1noc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)n1 ZINC000225526817 395861615 /nfs/dbraw/zinc/86/16/15/395861615.db2.gz RXSYFDIBSVOVRI-UHFFFAOYSA-N 0 0 314.301 0.681 50 0 DCAARN COC(=O)[C@](C)(O)CN1CCN(Cc2cccc(O)c2)CC1 ZINC000225561891 395862417 /nfs/dbraw/zinc/86/24/17/395862417.db2.gz NCCXCOOQZYZIDY-MRXNPFEDSA-N 0 0 308.378 0.434 50 0 DCAARN COC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1F ZINC000226687377 395867148 /nfs/dbraw/zinc/86/71/48/395867148.db2.gz GQGIVJCULRAWQW-UHFFFAOYSA-N 0 0 303.311 0.818 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)CN(CC(N)=O)C1CCCC1 ZINC000052843925 395871992 /nfs/dbraw/zinc/87/19/92/395871992.db2.gz XUTPTISQUWHNRB-UHFFFAOYSA-N 0 0 307.398 0.108 50 0 DCAARN C[C@@H](C(=O)NCc1ccco1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000229534220 395874956 /nfs/dbraw/zinc/87/49/56/395874956.db2.gz NYJDFEYAWNMADR-GXTWGEPZSA-N 0 0 319.365 0.277 50 0 DCAARN Cc1nn(C)c(C)c1NC(=O)CN1C[C@@H](C(N)=O)CC[C@H]1C ZINC000230131671 395878583 /nfs/dbraw/zinc/87/85/83/395878583.db2.gz YCPSZTPTZZTJAU-SKDRFNHKSA-N 0 0 307.398 0.561 50 0 DCAARN O=C(NC1CCN(C(=O)c2ccncc2)CC1)[C@H]1CCCO1 ZINC000053339899 395881089 /nfs/dbraw/zinc/88/10/89/395881089.db2.gz NJLTXCJCCCPERO-CQSZACIVSA-N 0 0 303.362 0.981 50 0 DCAARN COc1ccnc(N2CCN(C(=O)c3csnn3)CC2)n1 ZINC000057254066 395941309 /nfs/dbraw/zinc/94/13/09/395941309.db2.gz CHPCNUMTVVHZJZ-UHFFFAOYSA-N 0 0 306.351 0.299 50 0 DCAARN CSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccco3)N2N1 ZINC000137249716 395950866 /nfs/dbraw/zinc/95/08/66/395950866.db2.gz NJLFJDAZWZFOHM-CYBMUJFWSA-N 0 0 312.354 0.786 50 0 DCAARN COc1ccc(COC[C@@H](O)CNC(=O)c2cnccn2)cc1 ZINC000058341198 395953351 /nfs/dbraw/zinc/95/33/51/395953351.db2.gz JUOBJOWKLMSCDQ-ZDUSSCGKSA-N 0 0 317.345 0.793 50 0 DCAARN O=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1cccnc1 ZINC000061719488 395970724 /nfs/dbraw/zinc/97/07/24/395970724.db2.gz OFYSFWWYYUCMIZ-UHFFFAOYSA-N 0 0 315.333 0.114 50 0 DCAARN O=C(CNC(=O)c1ccccc1)NCC1(CO)CCOCC1 ZINC000151491761 395986873 /nfs/dbraw/zinc/98/68/73/395986873.db2.gz GNFWFSJQSLKDDR-UHFFFAOYSA-N 0 0 306.362 0.322 50 0 DCAARN CCOc1nccnc1N1CC[C@H](NC(=O)NCCOC)C1 ZINC000065268815 395991919 /nfs/dbraw/zinc/99/19/19/395991919.db2.gz NZTWUHTUQNRANM-NSHDSACASA-N 0 0 309.370 0.400 50 0 DCAARN CCOc1nccnc1N1CC[C@@H](NC(=O)NCCOC)C1 ZINC000065268818 395992410 /nfs/dbraw/zinc/99/24/10/395992410.db2.gz NZTWUHTUQNRANM-LLVKDONJSA-N 0 0 309.370 0.400 50 0 DCAARN COCCNC(=O)Cn1c(=O)cc(C)nc1N1CCCCC1 ZINC000065310911 395992508 /nfs/dbraw/zinc/99/25/08/395992508.db2.gz PIMLKTPOGLLWFE-UHFFFAOYSA-N 0 0 308.382 0.305 50 0 DCAARN Cn1ncc(N2CCC[C@H](C(=O)NCc3ccco3)C2)cc1=O ZINC000065313821 395992745 /nfs/dbraw/zinc/99/27/45/395992745.db2.gz FZVRECXMUQMYAC-LBPRGKRZSA-N 0 0 316.361 0.906 50 0 DCAARN C[C@H](Cn1ccnc1)NC(=O)CN1C(=O)COc2ccccc21 ZINC000065400267 395993261 /nfs/dbraw/zinc/99/32/61/395993261.db2.gz RAWLFDHQVBVZOT-GFCCVEGCSA-N 0 0 314.345 0.813 50 0 DCAARN C[C@H](c1cc(F)ccc1F)N(C)CC(=O)N1CCNC(=O)C1 ZINC000065549218 395995254 /nfs/dbraw/zinc/99/52/54/395995254.db2.gz XFTWSUXZGCBSNN-SNVBAGLBSA-N 0 0 311.332 0.916 50 0 DCAARN COc1cncc([C@H](NS(=O)(=O)N(C)C)[C@H]2C[C@@H](O)C2)c1 ZINC000252527470 396022762 /nfs/dbraw/zinc/02/27/62/396022762.db2.gz CPVJODDRCGLFPY-SUZMYJTESA-N 0 0 315.395 0.298 50 0 DCAARN CC[C@H](C(=O)N1CCn2c(C(N)=O)cnc2C1)n1cccn1 ZINC000067446606 396026554 /nfs/dbraw/zinc/02/65/54/396026554.db2.gz IEDVDIQHEUJPTA-SNVBAGLBSA-N 0 0 302.338 0.172 50 0 DCAARN CO[C@@H](C)CS(=O)(=O)N1CCC[C@@H](c2nccn2C)C1 ZINC000253428350 396028497 /nfs/dbraw/zinc/02/84/97/396028497.db2.gz AEEGZCFAJOJCRK-NWDGAFQWSA-N 0 0 301.412 0.964 50 0 DCAARN O=C(CN1CCCCCCC1=O)NC[C@@H](CO)[C@@H]1CCOC1 ZINC000253427822 396028856 /nfs/dbraw/zinc/02/88/56/396028856.db2.gz AXCIZAMGCPKJQO-KGLIPLIRSA-N 0 0 312.410 0.540 50 0 DCAARN CC(C)n1cnnc1CN(C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000253536990 396030318 /nfs/dbraw/zinc/03/03/18/396030318.db2.gz SJOQINWHQFWXSY-UHFFFAOYSA-N 0 0 316.369 0.873 50 0 DCAARN CN(Cc1cc(C(=O)NC(CO)CO)no1)Cc1ccccc1 ZINC000067714215 396031883 /nfs/dbraw/zinc/03/18/83/396031883.db2.gz BZPPYGIBJSMKJX-UHFFFAOYSA-N 0 0 319.361 0.390 50 0 DCAARN Cc1nc(CN2CCC[C@H](CCNS(C)(=O)=O)C2)c[nH]1 ZINC000067755505 396032403 /nfs/dbraw/zinc/03/24/03/396032403.db2.gz QPIDPLUEPXTJJH-GFCCVEGCSA-N 0 0 300.428 0.869 50 0 DCAARN Cc1n[nH]c(CN2CCN(c3cc(=O)nc(N)[nH]3)CC2)c1Cl ZINC000067742011 396032520 /nfs/dbraw/zinc/03/25/20/396032520.db2.gz RVNSPPOCGNXGPS-UHFFFAOYSA-N 0 0 323.788 0.359 50 0 DCAARN Cn1nc2n(c1=O)CCN(Cc1ccc3c(c1)CCO3)CC2 ZINC000257181167 396034486 /nfs/dbraw/zinc/03/44/86/396034486.db2.gz MQFKVYCLWKVKMK-UHFFFAOYSA-N 0 0 300.362 0.575 50 0 DCAARN COC[C@@H]1CN(c2cnccn2)C[C@H]1C(=O)N1CCOCC1 ZINC000257189168 396035157 /nfs/dbraw/zinc/03/51/57/396035157.db2.gz NMOMLTPBEVWDMH-QWHCGFSZSA-N 0 0 306.366 0.034 50 0 DCAARN [NH3+][C@H]1CCN(c2ccc(=O)n(CCOc3ccccc3)n2)C1 ZINC000257195079 396036066 /nfs/dbraw/zinc/03/60/66/396036066.db2.gz VIIKXZYGQHOMHW-ZDUSSCGKSA-N 0 0 300.362 0.860 50 0 DCAARN Nc1n[nH]c(C(=O)NCC[C@H]2CN(Cc3ccco3)CCO2)n1 ZINC000067869261 396037006 /nfs/dbraw/zinc/03/70/06/396037006.db2.gz UURXJDAURPPIQF-NSHDSACASA-N 0 0 320.353 0.001 50 0 DCAARN CC(C)[C@H](CO)NC(=O)c1cc(CN2CCC(O)CC2)on1 ZINC000067910340 396038666 /nfs/dbraw/zinc/03/86/66/396038666.db2.gz PKPVXKIPCMGFBU-AWEZNQCLSA-N 0 0 311.382 0.378 50 0 DCAARN C[C@H](Cc1cnccn1)NCC(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000067966608 396040260 /nfs/dbraw/zinc/04/02/60/396040260.db2.gz VDNYREIXEOVMJC-LLVKDONJSA-N 0 0 310.361 0.934 50 0 DCAARN Nc1nc(NC2CC2)cc(N2Cc3cnn(CCO)c3C2)n1 ZINC000067982468 396041590 /nfs/dbraw/zinc/04/15/90/396041590.db2.gz QCYRSNNYOORFBB-UHFFFAOYSA-N 0 0 301.354 0.342 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)N(C)Cc2nc[nH]n2)oc1C ZINC000252479713 396019957 /nfs/dbraw/zinc/01/99/57/396019957.db2.gz BKQWAQGQERBIPG-UHFFFAOYSA-N 0 0 314.323 0.313 50 0 DCAARN Cc1nc2ccc(NCC3CCN(S(C)(=O)=O)CC3)nn2n1 ZINC000252481810 396020096 /nfs/dbraw/zinc/02/00/96/396020096.db2.gz CSUUIRASDLMKHH-UHFFFAOYSA-N 0 0 324.410 0.516 50 0 DCAARN Cc1nc(CN2CCN(C[C@H](O)Cn3cccn3)CC2)oc1C ZINC000069654070 396086124 /nfs/dbraw/zinc/08/61/24/396086124.db2.gz WHRJMBJJWAGNLX-HNNXBMFYSA-N 0 0 319.409 0.667 50 0 DCAARN O=C(CN1CCC[C@H](Cn2cncn2)C1)NCc1ccco1 ZINC000069662625 396086414 /nfs/dbraw/zinc/08/64/14/396086414.db2.gz INCNQYQMYGVCRA-ZDUSSCGKSA-N 0 0 303.366 0.900 50 0 DCAARN Cc1noc([C@H](C)N2CCN(C[C@H](O)Cn3cccn3)CC2)n1 ZINC000069697291 396087168 /nfs/dbraw/zinc/08/71/68/396087168.db2.gz VZCLZHRWAZZPIE-JSGCOSHPSA-N 0 0 320.397 0.314 50 0 DCAARN Cc1nnc2n1CCN(CCNS(=O)(=O)c1ccccc1)C2 ZINC000069702722 396087963 /nfs/dbraw/zinc/08/79/63/396087963.db2.gz VARVYXBYLSJGQC-UHFFFAOYSA-N 0 0 321.406 0.381 50 0 DCAARN CN1CC[C@@H](N2CCN(C(=O)CCc3ccccc3)CC2)C1=O ZINC000169752096 396091114 /nfs/dbraw/zinc/09/11/14/396091114.db2.gz JBJPTJMWZVJGLC-MRXNPFEDSA-N 0 0 315.417 0.994 50 0 DCAARN COc1ccc(NC(=O)C(=O)NCc2ccccc2CO)cn1 ZINC000069812959 396091334 /nfs/dbraw/zinc/09/13/34/396091334.db2.gz ZGJQGMHNUIFGRC-UHFFFAOYSA-N 0 0 315.329 0.837 50 0 DCAARN COCCN1CCN(CC(=O)N(C)Cc2cnn(C)c2)C[C@H]1C ZINC000069842172 396092415 /nfs/dbraw/zinc/09/24/15/396092415.db2.gz BBGRFXCMALCSOT-CQSZACIVSA-N 0 0 323.441 0.031 50 0 DCAARN COCCC(=O)N1CCC(N2C(=O)[C@H](O)C23CCCCC3)CC1 ZINC000169788607 396092790 /nfs/dbraw/zinc/09/27/90/396092790.db2.gz QXZSBQIJMHWPTK-HNNXBMFYSA-N 0 0 324.421 0.920 50 0 DCAARN COC(=O)c1ccc(C(=O)OCCNS(C)(=O)=O)s1 ZINC000069874333 396092940 /nfs/dbraw/zinc/09/29/40/396092940.db2.gz KEBLRURKUPEYHE-UHFFFAOYSA-N 0 0 307.349 0.241 50 0 DCAARN C[C@@H]1C[C@@H](O)CN1c1ccc(S(=O)(=O)NCC2CC2)cn1 ZINC000170088642 396094223 /nfs/dbraw/zinc/09/42/23/396094223.db2.gz DVKPREYTPPPQLT-ZYHUDNBSSA-N 0 0 311.407 0.729 50 0 DCAARN O=c1[nH]c(N2CC[C@H](CNc3ccccn3)C2)nc2n[nH]cc21 ZINC000170598856 396095164 /nfs/dbraw/zinc/09/51/64/396095164.db2.gz UMHBWJYNQPQBHG-SNVBAGLBSA-N 0 0 311.349 0.980 50 0 DCAARN COC(=O)c1c(C)nc(=O)[nH]c1S[C@@H]1CCCCNC1=O ZINC000070004846 396096992 /nfs/dbraw/zinc/09/69/92/396096992.db2.gz OMBGFGAHSLNGIN-MRVPVSSYSA-N 0 0 311.363 0.626 50 0 DCAARN CNC(=O)Cn1nnc([C@@H](NC(=O)c2ccccc2)C(C)C)n1 ZINC000070005445 396097329 /nfs/dbraw/zinc/09/73/29/396097329.db2.gz YLNPKVHSYGPMKY-ZDUSSCGKSA-N 0 0 316.365 0.546 50 0 DCAARN CCOCCN1CCN([C@@H](C)C(=O)NCc2ccco2)CC1 ZINC000070021787 396098473 /nfs/dbraw/zinc/09/84/73/396098473.db2.gz JOBARWMHTXCYSR-AWEZNQCLSA-N 0 0 309.410 0.938 50 0 DCAARN O=C(NC[C@H](O)Cc1ccccc1)C(=O)NCC(F)(F)F ZINC000070639402 396102935 /nfs/dbraw/zinc/10/29/35/396102935.db2.gz ZUDYQMRXPAXIEI-SNVBAGLBSA-N 0 0 304.268 0.385 50 0 DCAARN CCC[C@@H](NC(C)=O)C(=O)N1CCc2c(nc(C)[nH]c2=O)C1 ZINC000071388756 396113733 /nfs/dbraw/zinc/11/37/33/396113733.db2.gz OIORELAFSFVCMG-GFCCVEGCSA-N 0 0 306.366 0.268 50 0 DCAARN CCn1c(CC2CCN(C(=O)c3ccnn3C)CC2)n[nH]c1=O ZINC000071757262 396114681 /nfs/dbraw/zinc/11/46/81/396114681.db2.gz GAQYGFGOZIIOMS-UHFFFAOYSA-N 0 0 318.381 0.420 50 0 DCAARN O=C(NCCN1CCOCC1)c1ccc(-n2ccnc2)cc1 ZINC000071808772 396115011 /nfs/dbraw/zinc/11/50/11/396115011.db2.gz FLBQINKCWFTMSO-UHFFFAOYSA-N 0 0 300.362 0.934 50 0 DCAARN O=C([O-])CC[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000071794313 396115138 /nfs/dbraw/zinc/11/51/38/396115138.db2.gz UVVMUUQFCCJJFJ-UHFFFAOYSA-N 0 0 312.391 0.904 50 0 DCAARN O=C(c1cccnc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000071793453 396115602 /nfs/dbraw/zinc/11/56/02/396115602.db2.gz OUCBPKVSJWHFEG-ZDUSSCGKSA-N 0 0 309.391 0.027 50 0 DCAARN COc1cc(CNC(=O)c2cnccn2)ccc1OCC(N)=O ZINC000071814860 396115884 /nfs/dbraw/zinc/11/58/84/396115884.db2.gz TYRSMWXEJMMLFC-UHFFFAOYSA-N 0 0 316.317 0.279 50 0 DCAARN Cc1cccc([C@@H]2C[C@@H]2[C@@H](C)NC(=O)NC(C(N)=O)C(N)=O)c1 ZINC000071828091 396117091 /nfs/dbraw/zinc/11/70/91/396117091.db2.gz GBEBFFXJHBVCIL-JLLWLGSASA-N 0 0 318.377 0.125 50 0 DCAARN CN(CC(N)=O)CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000071822578 396117148 /nfs/dbraw/zinc/11/71/48/396117148.db2.gz RFBORHLTDKGXJK-UHFFFAOYSA-N 0 0 321.274 0.878 50 0 DCAARN O=C(CCN1CCO[C@H](Cn2cncn2)C1)NC1CCCC1 ZINC000071876602 396121146 /nfs/dbraw/zinc/12/11/46/396121146.db2.gz AZMZPZMPLKPQPZ-AWEZNQCLSA-N 0 0 307.398 0.428 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000071881888 396122469 /nfs/dbraw/zinc/12/24/69/396122469.db2.gz VDWWKNJSJBKCRX-HNNXBMFYSA-N 0 0 322.405 0.850 50 0 DCAARN Cc1nc(C)n(C[C@@H]2CN(CCN3CCCC3=O)CCO2)n1 ZINC000072253497 396128333 /nfs/dbraw/zinc/12/83/33/396128333.db2.gz IHYMMKWPRDEIAY-AWEZNQCLSA-N 0 0 307.398 0.218 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)c2c[nH]nc2CC)CC1 ZINC000072269663 396129100 /nfs/dbraw/zinc/12/91/00/396129100.db2.gz KODDLTOVMDWWJA-LBPRGKRZSA-N 0 0 310.398 0.127 50 0 DCAARN CN(C)[C@@H](CNC(=O)NCC[C@H]1CCCO1)c1cnn(C)c1 ZINC000072287687 396129894 /nfs/dbraw/zinc/12/98/94/396129894.db2.gz GDFQDTNYPJDSRN-KGLIPLIRSA-N 0 0 309.414 0.891 50 0 DCAARN CN(C)S(=O)(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000069326566 396074646 /nfs/dbraw/zinc/07/46/46/396074646.db2.gz RRLPZOFLXJVYPP-SNVBAGLBSA-N 0 0 305.350 0.940 50 0 DCAARN NC(=O)NC(=O)CCN1CCN(C(=O)CC2CCCC2)CC1 ZINC000069351528 396075958 /nfs/dbraw/zinc/07/59/58/396075958.db2.gz DQOZGSIILHYXMZ-UHFFFAOYSA-N 0 0 310.398 0.296 50 0 DCAARN CC[C@@H](C(N)=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000069349711 396075976 /nfs/dbraw/zinc/07/59/76/396075976.db2.gz PCQVQHSQEYCIGO-KGLIPLIRSA-N 0 0 310.442 0.269 50 0 DCAARN Cn1cc(S(=O)(=O)N2CCc3ccccc3[C@H]2C(N)=O)cn1 ZINC000069366749 396076027 /nfs/dbraw/zinc/07/60/27/396076027.db2.gz PNTOVLIZZXHPSE-ZDUSSCGKSA-N 0 0 320.374 0.194 50 0 DCAARN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000069378093 396076641 /nfs/dbraw/zinc/07/66/41/396076641.db2.gz OECQACBJHCSRAP-OLZOCXBDSA-N 0 0 308.407 0.968 50 0 DCAARN NC(=O)[C@H](c1ccc(F)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000069418045 396078159 /nfs/dbraw/zinc/07/81/59/396078159.db2.gz QZKUPCCPCJJQFE-GJZGRUSLSA-N 0 0 318.352 0.950 50 0 DCAARN Cn1ccnc1CN1CCN(CCn2ccccc2=O)CC1 ZINC000069453994 396078821 /nfs/dbraw/zinc/07/88/21/396078821.db2.gz NLCWLXITOVDHDI-UHFFFAOYSA-N 0 0 301.394 0.400 50 0 DCAARN CCNC(=O)[C@@H]1CCCN(c2ncc(S(N)(=O)=O)s2)C1 ZINC000069535510 396082023 /nfs/dbraw/zinc/08/20/23/396082023.db2.gz OQUYRWURYJNUTB-MRVPVSSYSA-N 0 0 318.424 0.143 50 0 DCAARN CCOc1ccnc(N2CCN(C(=O)c3c[nH]nc3C)CC2)n1 ZINC000069599078 396084240 /nfs/dbraw/zinc/08/42/40/396084240.db2.gz LXYJFEWGVGKQSV-UHFFFAOYSA-N 0 0 316.365 0.869 50 0 DCAARN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000075284477 396178663 /nfs/dbraw/zinc/17/86/63/396178663.db2.gz FLWRHRSHVXBOMG-BXUZGUMPSA-N 0 0 322.386 0.940 50 0 DCAARN Cc1cn2c(n1)CC[C@H](NC(=O)C1CCN(C(N)=O)CC1)C2 ZINC000075573004 396181855 /nfs/dbraw/zinc/18/18/55/396181855.db2.gz VFBJSSNIXFQMGF-LBPRGKRZSA-N 0 0 305.382 0.413 50 0 DCAARN C[C@H](C(=O)N1CCN(CCO)CC1)c1ccc2c(c1)OCCO2 ZINC000075604560 396182459 /nfs/dbraw/zinc/18/24/59/396182459.db2.gz ZQMQPIXOBCTGAT-ZDUSSCGKSA-N 0 0 320.389 0.698 50 0 DCAARN CCc1nnc2n1CCN(CC(=O)Nc1nnc(C)s1)C2 ZINC000075604353 396182625 /nfs/dbraw/zinc/18/26/25/396182625.db2.gz QKYDXSORPZEFMD-UHFFFAOYSA-N 0 0 307.383 0.455 50 0 DCAARN CCCc1nnc([C@H]2CN(C(=O)CCn3ccnc3)CCO2)[nH]1 ZINC000076046227 396192817 /nfs/dbraw/zinc/19/28/17/396192817.db2.gz MAYZLMBHRTWKLS-GFCCVEGCSA-N 0 0 318.381 0.944 50 0 DCAARN Cc1nnc([C@H]2CN(CC(=O)N(C)c3nccs3)CCO2)[nH]1 ZINC000076048757 396193865 /nfs/dbraw/zinc/19/38/65/396193865.db2.gz KXJWPNNOIQQZKN-SNVBAGLBSA-N 0 0 322.394 0.606 50 0 DCAARN Cc1cc(OCC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)no1 ZINC000076053952 396194783 /nfs/dbraw/zinc/19/47/83/396194783.db2.gz QBFQAGYRNUJDKE-AAEUAGOBSA-N 0 0 309.366 0.541 50 0 DCAARN CCn1nc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1=O ZINC000076053296 396195118 /nfs/dbraw/zinc/19/51/18/396195118.db2.gz PSLBLSKJYFUXOK-JSGCOSHPSA-N 0 0 320.393 0.056 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCc3nn(C)c(=O)cc3C2)no1 ZINC000076064677 396195858 /nfs/dbraw/zinc/19/58/58/396195858.db2.gz UNONDPAZUKPWIV-SNVBAGLBSA-N 0 0 317.349 0.462 50 0 DCAARN C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000263937724 396244477 /nfs/dbraw/zinc/24/44/77/396244477.db2.gz FVVXAFKELHAUNK-RYUDHWBXSA-N 0 0 303.370 0.979 50 0 DCAARN O=C(C[C@H]1C=CCC1)NCCS(=O)(=O)N1CCSCC1 ZINC000078618934 396249209 /nfs/dbraw/zinc/24/92/09/396249209.db2.gz FUVITYUDAZNTCA-LBPRGKRZSA-N 0 0 318.464 0.838 50 0 DCAARN CN1CC(=O)N(CC(=O)N2CCC[C@H]2c2cccnc2)C1=O ZINC000078740101 396252778 /nfs/dbraw/zinc/25/27/78/396252778.db2.gz ZAYQEAGGMCTUTI-LBPRGKRZSA-N 0 0 302.334 0.639 50 0 DCAARN Cc1nn(C)c(Cl)c1COC(=O)CN(C)S(C)(=O)=O ZINC000078803010 396254431 /nfs/dbraw/zinc/25/44/31/396254431.db2.gz TXSBGXZAHYBFRC-UHFFFAOYSA-N 0 0 309.775 0.317 50 0 DCAARN C[C@H](NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cnn(C)c1 ZINC000078996972 396259432 /nfs/dbraw/zinc/25/94/32/396259432.db2.gz GCQMWQWCHFYTKK-DNIRFERGSA-N 0 0 305.382 0.790 50 0 DCAARN O=C(NCCCO)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000080551696 396282539 /nfs/dbraw/zinc/28/25/39/396282539.db2.gz DJCFXADYTMANAF-KFWWJZLASA-N 0 0 317.389 0.825 50 0 DCAARN COc1cccc2c1ccn2CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000079501555 396265864 /nfs/dbraw/zinc/26/58/64/396265864.db2.gz CZMWHZMFDZMDAJ-NSHDSACASA-N 0 0 322.386 0.953 50 0 DCAARN CCN1CCN(CCCCCCO)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000077357199 396219564 /nfs/dbraw/zinc/21/95/64/396219564.db2.gz MVLCLFNJUWXWKT-KGLIPLIRSA-N 0 0 304.456 0.342 50 0 DCAARN O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCOC[C@H](O)C1 ZINC000077440369 396221749 /nfs/dbraw/zinc/22/17/49/396221749.db2.gz LGOWQGVGBHXFDF-SSDOTTSWSA-N 0 0 306.240 0.639 50 0 DCAARN Cc1nnc(CCCNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)[nH]1 ZINC000080979875 396290682 /nfs/dbraw/zinc/29/06/82/396290682.db2.gz QEVNDSIRPFQKDI-ZDUSSCGKSA-N 0 0 319.409 0.811 50 0 DCAARN CN(C)S(=O)(=O)CCN1CCN(Cc2ccccn2)CC1 ZINC000285921451 396362612 /nfs/dbraw/zinc/36/26/12/396362612.db2.gz IBDLQEYARCYRHM-UHFFFAOYSA-N 0 0 312.439 0.091 50 0 DCAARN CC(=O)NCC(=O)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186425927 396349365 /nfs/dbraw/zinc/34/93/65/396349365.db2.gz UZNVDMCTDCCRKN-UHFFFAOYSA-N 0 0 312.316 0.911 50 0 DCAARN Cc1noc2ncnc(NC[C@H]3CCC[C@@]34NC(=O)NC4=O)c12 ZINC000192472955 396431570 /nfs/dbraw/zinc/43/15/70/396431570.db2.gz YEYZAJYHFFMLTA-XLKFXECMSA-N 0 0 316.321 0.716 50 0 DCAARN NC(=O)c1ccc(CN2CCCC[C@@H]2c2nc(=O)[nH][nH]2)cc1 ZINC000289433530 396459904 /nfs/dbraw/zinc/45/99/04/396459904.db2.gz VVZNURXBLPNCQB-GFCCVEGCSA-N 0 0 301.350 0.924 50 0 DCAARN CN1CC(=O)N(CC(=O)N2CC[C@@H](Oc3ccccc3)C2)C1=O ZINC000374220867 396649210 /nfs/dbraw/zinc/64/92/10/396649210.db2.gz SPUIXPAWSNRYAB-CYBMUJFWSA-N 0 0 317.345 0.560 50 0 DCAARN O=C1NCCC[C@@H]1NS(=O)(=O)CCOc1ccc(F)cc1 ZINC000584885569 396632132 /nfs/dbraw/zinc/63/21/32/396632132.db2.gz KWLUPFSSPANWET-LBPRGKRZSA-N 0 0 316.354 0.403 50 0 DCAARN COC(=O)c1cc(O)cc(C(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000584896088 396634545 /nfs/dbraw/zinc/63/45/45/396634545.db2.gz UBXNDEIYULJDFR-NSHDSACASA-N 0 0 306.318 0.529 50 0 DCAARN Cc1n[nH]c(CCC(=O)N2CCO[C@@H](C(=O)N(C)C)C2)c1C ZINC000584893356 396634978 /nfs/dbraw/zinc/63/49/78/396634978.db2.gz HVVPEJPQAAFQGA-CYBMUJFWSA-N 0 0 308.382 0.275 50 0 DCAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CCn1cnnn1 ZINC000584893967 396635042 /nfs/dbraw/zinc/63/50/42/396635042.db2.gz ROSKKYQCLTYJSC-NSHDSACASA-N 0 0 303.322 0.362 50 0 DCAARN C[C@H](Cn1cnc2ccccc2c1=O)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC000584898572 396635485 /nfs/dbraw/zinc/63/54/85/396635485.db2.gz XDYXZJYWNZAQNJ-SECBINFHSA-N 0 0 300.322 0.399 50 0 DCAARN CNC(=O)C[C@@H]1CCN(C(=O)c2ccc(NC(C)=O)cc2O)C1 ZINC000584899352 396636497 /nfs/dbraw/zinc/63/64/97/396636497.db2.gz HQEVEIKPLMVIFL-NSHDSACASA-N 0 0 319.361 0.949 50 0 DCAARN CC(=O)c1c(-c2cccc(C(=O)N[C@@H](C)C(N)=O)c2)cnn1C ZINC000584901989 396637119 /nfs/dbraw/zinc/63/71/19/396637119.db2.gz HCSIBXWLSRONHK-VIFPVBQESA-N 0 0 314.345 0.893 50 0 DCAARN CN(CCc1ccccn1)C(=O)NCCc1noc(CO)n1 ZINC000584902453 396637317 /nfs/dbraw/zinc/63/73/17/396637317.db2.gz KFIXMBUXZXKXHB-UHFFFAOYSA-N 0 0 305.338 0.384 50 0 DCAARN O=C(COc1ccccc1F)N[C@H](CO)[C@@H](O)c1cccnc1 ZINC000585134057 396640609 /nfs/dbraw/zinc/64/06/09/396640609.db2.gz BSXIKIOTQVUZNA-CJNGLKHVSA-N 0 0 320.320 0.810 50 0 DCAARN COCCOCCOCCCNC(=O)N1CCC(=O)[C@@H](C)C1 ZINC000585137154 396641596 /nfs/dbraw/zinc/64/15/96/396641596.db2.gz KODGHNVVDXXRHN-ZDUSSCGKSA-N 0 0 316.398 0.677 50 0 DCAARN C[C@H](C(=O)NCC1CCOCC1)n1nc2c(cc1=O)CCC2 ZINC000585150549 396642268 /nfs/dbraw/zinc/64/22/68/396642268.db2.gz PPFAPBLULMFYGT-LLVKDONJSA-N 0 0 305.378 0.836 50 0 DCAARN CCc1nc(CN2CCC[C@@H]([C@]3(C)NC(=O)N(C)C3=O)C2)no1 ZINC000299754250 396714183 /nfs/dbraw/zinc/71/41/83/396714183.db2.gz QRTYIDNOGKTQPB-BMIGLBTASA-N 0 0 321.381 0.784 50 0 DCAARN CCN(C[C@@H]1CN([C@H]2C[C@H](C)OC2=O)CCO1)c1cccnn1 ZINC000299754078 396714196 /nfs/dbraw/zinc/71/41/96/396714196.db2.gz WOZQZUNNSSUTHW-MJBXVCDLSA-N 0 0 320.393 0.708 50 0 DCAARN O=C1NC2(CCOCC2)C(=O)N1[C@@H]1Cc2cccc(O)c2C1 ZINC000348626655 397047814 /nfs/dbraw/zinc/04/78/14/397047814.db2.gz SCYLZARWZMYSGL-LLVKDONJSA-N 0 0 302.330 0.960 50 0 DCAARN Cc1cc(OC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)nc(C)n1 ZINC000390826667 397301851 /nfs/dbraw/zinc/30/18/51/397301851.db2.gz OIOCXCFIFJAIBI-ZDUSSCGKSA-N 0 0 318.377 0.742 50 0 DCAARN Cn1ccc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC000390830270 397303481 /nfs/dbraw/zinc/30/34/81/397303481.db2.gz JWMQKGVGMBVRTB-LLVKDONJSA-N 0 0 301.350 0.534 50 0 DCAARN Cn1c(=O)[nH]c(=O)c2nc(C=Cc3cccs3)c(=O)[nH]c21 ZINC000606444157 397680995 /nfs/dbraw/zinc/68/09/95/397680995.db2.gz FQVCTWPSMCUPML-PLNGDYQASA-N 0 0 302.315 0.954 50 0 DCAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000002465119 299769705 /nfs/dbraw/zinc/76/97/05/299769705.db2.gz FVAQCEWNGLGHIV-VIFPVBQESA-N 0 0 323.374 0.780 50 0 DCAARN CN(C)c1ncnc2c1ncn2C[C@@H]1CCCS(=O)(=O)C1 ZINC000328847708 159034034 /nfs/dbraw/zinc/03/40/34/159034034.db2.gz SSALNIOXURBFTQ-JTQLQIEISA-N 0 0 309.395 0.717 50 0 DCAARN Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000329391235 159088292 /nfs/dbraw/zinc/08/82/92/159088292.db2.gz RQQDVKFQRYPXRQ-HUUCEWRRSA-N 0 0 309.410 0.917 50 0 DCAARN O=C([C@H]1COc2ccccc2O1)N1CCO[C@H](c2ncon2)C1 ZINC000329970577 159133119 /nfs/dbraw/zinc/13/31/19/159133119.db2.gz VBIMLICGRLOKDK-QWHCGFSZSA-N 0 0 317.301 0.810 50 0 DCAARN C[C@](O)(CNC(=O)C1(S(C)(=O)=O)CCCC1)C(F)(F)F ZINC000330507419 159182368 /nfs/dbraw/zinc/18/23/68/159182368.db2.gz MWGNQAMYMGLPSN-VIFPVBQESA-N 0 0 317.329 0.773 50 0 DCAARN C[C@@H]1C(=O)Nc2ccccc2N1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000225435903 287190043 /nfs/dbraw/zinc/19/00/43/287190043.db2.gz AMEDEWFFMDOWDH-ZJUUUORDSA-N 0 0 308.359 0.795 50 0 DCAARN CN(C)c1cccc(NC(=O)N[C@@H]2CCc3ncnn3C2)n1 ZINC000133568319 196331292 /nfs/dbraw/zinc/33/12/92/196331292.db2.gz LUTYSMZURJFELA-SNVBAGLBSA-N 0 0 301.354 0.876 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1nnc(C2CC2)s1 ZINC000021293603 415154474 /nfs/dbraw/zinc/15/44/74/415154474.db2.gz FMWWKCSCBVPSAQ-UHFFFAOYSA-N 0 0 321.362 0.672 50 0 DCAARN CCN1C(=O)C[C@H](N(C)CC(=O)Nc2cccc(OC)c2)C1=O ZINC000025059239 415160111 /nfs/dbraw/zinc/16/01/11/415160111.db2.gz FWZONMFGJXQBPP-ZDUSSCGKSA-N 0 0 319.361 0.713 50 0 DCAARN NC(=O)[C@H]1CCCN(C(=O)CN2CCc3ccccc3C2)C1 ZINC000025408577 415162031 /nfs/dbraw/zinc/16/20/31/415162031.db2.gz KVMDCDVAFSFAFK-HNNXBMFYSA-N 0 0 301.390 0.769 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)Cc2ccc(F)cc2)CC1 ZINC000025227490 415162212 /nfs/dbraw/zinc/16/22/12/415162212.db2.gz NDUAZUQLSAPOKU-UHFFFAOYSA-N 0 0 307.369 0.695 50 0 DCAARN Cn1c(=O)cc(N2CCN(C(=O)c3ccccc3)CC2)[nH]c1=O ZINC000001742261 415124390 /nfs/dbraw/zinc/12/43/90/415124390.db2.gz IBTAAPMASBSHHS-UHFFFAOYSA-N 0 0 314.345 0.036 50 0 DCAARN CCNc1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1 ZINC000004148917 415128395 /nfs/dbraw/zinc/12/83/95/415128395.db2.gz AKYMRCQLLXGNQO-UHFFFAOYSA-N 0 0 319.325 0.016 50 0 DCAARN CCCn1c(N)c(C(=O)CSc2nccn2C)c(=O)[nH]c1=O ZINC000006370050 415134837 /nfs/dbraw/zinc/13/48/37/415134837.db2.gz CZNAEGGXAVLQBJ-UHFFFAOYSA-N 0 0 323.378 0.237 50 0 DCAARN CN(C)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O ZINC000008623920 415144642 /nfs/dbraw/zinc/14/46/42/415144642.db2.gz GMFLAJYXMPPJTH-INIZCTEOSA-N 0 0 301.346 0.858 50 0 DCAARN CCNC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000008185602 415145327 /nfs/dbraw/zinc/14/53/27/415145327.db2.gz QWIPWLSTGYAZMB-UHFFFAOYSA-N 0 0 303.318 0.535 50 0 DCAARN CC(C)N1C(=O)C(=O)N(CC(=O)N(C)c2ccccc2)C1=O ZINC000008312704 415146799 /nfs/dbraw/zinc/14/67/99/415146799.db2.gz JIJYXHXVPVNXMC-UHFFFAOYSA-N 0 0 303.318 0.849 50 0 DCAARN CC(C)CN(CC(N)=O)Cc1nnnn1Cc1ccccc1 ZINC000026127961 415166440 /nfs/dbraw/zinc/16/64/40/415166440.db2.gz VYHJUWIXJNJIJA-UHFFFAOYSA-N 0 0 302.382 0.665 50 0 DCAARN C[C@@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)[C@H]1CCCO1 ZINC000027891904 415173954 /nfs/dbraw/zinc/17/39/54/415173954.db2.gz DSLKDYUAQQDANK-ZYHUDNBSSA-N 0 0 319.365 0.204 50 0 DCAARN COCCCNC(=O)c1c2c(sc1-n1cnnn1)CCC2 ZINC000040267588 415196919 /nfs/dbraw/zinc/19/69/19/415196919.db2.gz XPYLFUMTRCSZGL-UHFFFAOYSA-N 0 0 307.379 0.979 50 0 DCAARN Cn1cc(S(=O)(=O)NCCCOC[C@@H]2CCCO2)cn1 ZINC000040528071 415198333 /nfs/dbraw/zinc/19/83/33/415198333.db2.gz OASFLLMQQCGRHC-NSHDSACASA-N 0 0 303.384 0.284 50 0 DCAARN COc1ccccc1OCC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000044457172 415220295 /nfs/dbraw/zinc/22/02/95/415220295.db2.gz UAWGIYXQZHZORW-LLVKDONJSA-N 0 0 313.375 0.625 50 0 DCAARN CC(C)[C@@H](CNC(=O)N(C)Cc1cnn(C)c1)N1CCOCC1 ZINC000044910193 415232911 /nfs/dbraw/zinc/23/29/11/415232911.db2.gz IHPMEXZFQRPZQV-OAHLLOKOSA-N 0 0 323.441 0.918 50 0 DCAARN CC(=O)N[C@@H](C(=O)NCCC(=O)Nc1ccccn1)C(C)C ZINC000044936522 415233532 /nfs/dbraw/zinc/23/35/32/415233532.db2.gz GDUYZVXHUWDQCA-CQSZACIVSA-N 0 0 306.366 0.687 50 0 DCAARN CN(C)c1nc(N)nc(CS(=O)(=O)c2ccccc2F)n1 ZINC000044948441 415234664 /nfs/dbraw/zinc/23/46/64/415234664.db2.gz HDEGHIAFVSXCEN-UHFFFAOYSA-N 0 0 311.342 0.633 50 0 DCAARN Cn1ccc(C(=O)NCc2cccnc2-n2cncn2)cc1=O ZINC000044943158 415235223 /nfs/dbraw/zinc/23/52/23/415235223.db2.gz SMUYQOPDPPIRJQ-UHFFFAOYSA-N 0 0 310.317 0.291 50 0 DCAARN Cc1cc(C)n(C[C@H](C)CNC(=O)[C@@H](C)S(C)(=O)=O)n1 ZINC000044953236 415237645 /nfs/dbraw/zinc/23/76/45/415237645.db2.gz YOYXBACWDCIHFV-BXKDBHETSA-N 0 0 301.412 0.685 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N(CCOC)C2CC2)cc1 ZINC000044972243 415237955 /nfs/dbraw/zinc/23/79/55/415237955.db2.gz CPIDLJMTJQRHAQ-UHFFFAOYSA-N 0 0 312.391 0.846 50 0 DCAARN CC(=O)N1CCC(NC(=O)c2sccc2-n2cnnn2)CC1 ZINC000044967038 415238323 /nfs/dbraw/zinc/23/83/23/415238323.db2.gz AMCUKURXAVGOKU-UHFFFAOYSA-N 0 0 320.378 0.465 50 0 DCAARN CN(C)[C@@H](CNC(=O)N[C@@H]1CCCCNC1=O)c1ccco1 ZINC000044966370 415238598 /nfs/dbraw/zinc/23/85/98/415238598.db2.gz RFNZTACVRQWSSX-NEPJUHHUSA-N 0 0 308.382 0.850 50 0 DCAARN O=C(NCCNc1ncccn1)NCCNc1ncccn1 ZINC000044971438 415239844 /nfs/dbraw/zinc/23/98/44/415239844.db2.gz HTMQZNYMLZGZEU-UHFFFAOYSA-N 0 0 302.342 0.090 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000045744024 415250335 /nfs/dbraw/zinc/25/03/35/415250335.db2.gz YGSSXLFQHMRCOP-LLVKDONJSA-N 0 0 313.427 0.948 50 0 DCAARN Cc1c(CNC(=O)c2cc(NC(=O)C3CC3)n(C)n2)cnn1C ZINC000046089093 415254241 /nfs/dbraw/zinc/25/42/41/415254241.db2.gz GRGGEKMXEPMIPX-UHFFFAOYSA-N 0 0 316.365 0.741 50 0 DCAARN O=C(CCn1cccn1)NC[C@H]([C@H]1CCOC1)N1CCOCC1 ZINC000046050193 415256313 /nfs/dbraw/zinc/25/63/13/415256313.db2.gz YOMVFOJEAGJXQS-LSDHHAIUSA-N 0 0 322.409 0.127 50 0 DCAARN O=C(NCCCn1ccnc1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000047597468 415274085 /nfs/dbraw/zinc/27/40/85/415274085.db2.gz IOUQMPJANYFVDB-NSHDSACASA-N 0 0 300.384 0.007 50 0 DCAARN COCCCNC(=O)CN1CCN(c2nc(C)cs2)CC1 ZINC000047890908 415278179 /nfs/dbraw/zinc/27/81/79/415278179.db2.gz IZAXILDPSVYKFF-UHFFFAOYSA-N 0 0 312.439 0.726 50 0 DCAARN CN1CC[C@H](C(=O)N2CCN(Cc3cccnc3)CC2)CC1=O ZINC000044365789 415222563 /nfs/dbraw/zinc/22/25/63/415222563.db2.gz LYVRQERUQDUYOL-HNNXBMFYSA-N 0 0 316.405 0.594 50 0 DCAARN C[C@]1(NC(=O)c2ccc3c(c2)CCC(=O)N3)CCS(=O)(=O)C1 ZINC000044890028 415228318 /nfs/dbraw/zinc/22/83/18/415228318.db2.gz JXEBIYDVEDVHSH-HNNXBMFYSA-N 0 0 322.386 0.878 50 0 DCAARN CC[C@H](C)N1CCC(=O)N(Cc2cc(=O)n(C)c(=O)n2C)C1=O ZINC000044892847 415228853 /nfs/dbraw/zinc/22/88/53/415228853.db2.gz KUXYXKSAIYVGIS-JTQLQIEISA-N 0 0 322.365 0.037 50 0 DCAARN COCCNC(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000044892575 415229655 /nfs/dbraw/zinc/22/96/55/415229655.db2.gz FBOGZEOPDYQJNG-ZDUSSCGKSA-N 0 0 311.382 0.907 50 0 DCAARN Cc1cc(C(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)on1 ZINC000044911399 415230995 /nfs/dbraw/zinc/23/09/95/415230995.db2.gz PDLQHENTSJPSID-STQMWFEESA-N 0 0 309.366 0.450 50 0 DCAARN COC(=O)c1cc(OC)ccc1OCC(=O)N1CCOCC1 ZINC000048264690 415287080 /nfs/dbraw/zinc/28/70/80/415287080.db2.gz DDDOGGQNESNXBG-UHFFFAOYSA-N 0 0 309.318 0.719 50 0 DCAARN Cc1ccc(S(=O)(=O)NCC(=O)OC[C@@H]2CCOC2)cc1 ZINC000050296642 415313174 /nfs/dbraw/zinc/31/31/74/415313174.db2.gz VJECRFCCJGSVHW-GFCCVEGCSA-N 0 0 313.375 0.853 50 0 DCAARN COCCOc1ccc(NC(=O)N(C)[C@H]2CCN(C)C2=O)cn1 ZINC000072291883 415415941 /nfs/dbraw/zinc/41/59/41/415415941.db2.gz HJYBOXDPRQPFBS-LBPRGKRZSA-N 0 0 322.365 0.801 50 0 DCAARN CN(Cc1cc(C(=O)NCCC(N)=O)no1)Cc1ccccc1 ZINC000067433499 415373792 /nfs/dbraw/zinc/37/37/92/415373792.db2.gz LZVCCOKJQNFMPP-UHFFFAOYSA-N 0 0 316.361 0.912 50 0 DCAARN CCO[C@H]1COC[C@@H]1NC(=O)Cn1cnc2ccccc2c1=O ZINC000067561185 415379448 /nfs/dbraw/zinc/37/94/48/415379448.db2.gz HZGWYKYUWFCKEF-KBPBESRZSA-N 0 0 317.345 0.317 50 0 DCAARN CNC(=O)C1(C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000084638287 415497117 /nfs/dbraw/zinc/49/71/17/415497117.db2.gz ZUJWJCYZRIIMOW-SNVBAGLBSA-N 0 0 313.398 0.790 50 0 DCAARN CC[C@H]1CN(C(=O)Cn2cc(C)cn2)C[C@@H]1N1CCOCC1 ZINC000084735924 415499294 /nfs/dbraw/zinc/49/92/94/415499294.db2.gz PLAQNNJGVCEGRN-GJZGRUSLSA-N 0 0 306.410 0.761 50 0 DCAARN CC[C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@@H]1N1CCOCC1 ZINC000084736082 415501109 /nfs/dbraw/zinc/50/11/09/415501109.db2.gz URICKAZSSNCIFF-OCCSQVGLSA-N 0 0 320.393 0.668 50 0 DCAARN CC[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1N1CCOCC1 ZINC000084735958 415501571 /nfs/dbraw/zinc/50/15/71/415501571.db2.gz ZTWHLODCEUEELM-NEPJUHHUSA-N 0 0 305.382 0.242 50 0 DCAARN COc1ccc(N2C[C@@H](C(=O)N(C)C[C@H](C)O)CC2=O)cc1 ZINC000075092835 415434291 /nfs/dbraw/zinc/43/42/91/415434291.db2.gz ZMQOVXQGXUDQAG-RYUDHWBXSA-N 0 0 306.362 0.887 50 0 DCAARN CCOC(=O)CCC(=O)N1CCN(CCn2ccnc2)CC1 ZINC000075158001 415437891 /nfs/dbraw/zinc/43/78/91/415437891.db2.gz JKHUBYIESOHWNF-UHFFFAOYSA-N 0 0 308.382 0.371 50 0 DCAARN Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)N1CCNC1=O ZINC000075132256 415437913 /nfs/dbraw/zinc/43/79/13/415437913.db2.gz HOADHHIBNSMABQ-LBPRGKRZSA-N 0 0 305.382 0.726 50 0 DCAARN Cc1cc(C)c(CNC(=O)NCCNc2cnccn2)c(=O)[nH]1 ZINC000075117940 415438214 /nfs/dbraw/zinc/43/82/14/415438214.db2.gz JTLQPYFPTPKTPB-UHFFFAOYSA-N 0 0 316.365 0.693 50 0 DCAARN Cc1cnn(-c2ccc(C(=O)N3CCN(CCO)CC3)cc2)c1 ZINC000075572596 415448236 /nfs/dbraw/zinc/44/82/36/415448236.db2.gz WTPVCNNZEYQYLU-UHFFFAOYSA-N 0 0 314.389 0.931 50 0 DCAARN COC(=O)c1n[nH]cc1CN1C[C@@H](C(C)C)[C@H](NC(C)=O)C1 ZINC000077504311 415463045 /nfs/dbraw/zinc/46/30/45/415463045.db2.gz MDECCICVGIDOFZ-QWHCGFSZSA-N 0 0 308.382 0.789 50 0 DCAARN CN(C)C(=O)N1C[C@@H]2C[N@@H+](C3CCOCC3)C[C@]2(C(=O)[O-])C1 ZINC000091468275 415534146 /nfs/dbraw/zinc/53/41/46/415534146.db2.gz RJQURZFNGAZMSB-NHYWBVRUSA-N 0 0 311.382 0.165 50 0 DCAARN Cc1ncc(S(C)(=O)=O)c(N[C@@]2(C)CCS(=O)(=O)C2)n1 ZINC000095352497 415549611 /nfs/dbraw/zinc/54/96/11/415549611.db2.gz LQISWZHUDPLURR-NSHDSACASA-N 0 0 319.408 0.178 50 0 DCAARN COCC(=O)N1CCC[C@H](C(=O)N2CCc3ncccc3C2)C1 ZINC000095364222 415553593 /nfs/dbraw/zinc/55/35/93/415553593.db2.gz POQGBQWDONGVBW-AWEZNQCLSA-N 0 0 317.389 0.851 50 0 DCAARN COc1ccccc1OC1CN(C(=O)CN2CCC[C@@H](O)C2)C1 ZINC000095367967 415553799 /nfs/dbraw/zinc/55/37/99/415553799.db2.gz CPEMSCSACFSPNX-CYBMUJFWSA-N 0 0 320.389 0.742 50 0 DCAARN Cc1cc(N)n(CC(=O)N2CCC3(CC2)OCCC[C@H]3O)n1 ZINC000095357557 415554849 /nfs/dbraw/zinc/55/48/49/415554849.db2.gz RNVGZJHTOLPOOY-GFCCVEGCSA-N 0 0 308.382 0.306 50 0 DCAARN Cc1c(C[NH+]2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)cnn1C ZINC000095370936 415555717 /nfs/dbraw/zinc/55/57/17/415555717.db2.gz UUPVPIUYUJWGFO-CYBMUJFWSA-N 0 0 320.393 0.626 50 0 DCAARN COCc1noc(CCNC(=O)c2cnc(N(C)C)nc2C)n1 ZINC000095357418 415555751 /nfs/dbraw/zinc/55/57/51/415555751.db2.gz PNKUPSUAOWNZHU-UHFFFAOYSA-N 0 0 320.353 0.353 50 0 DCAARN Cc1cccc2nc(Cn3ncn4cccc4c3=O)cc(=O)n12 ZINC000095370661 415555785 /nfs/dbraw/zinc/55/57/85/415555785.db2.gz GYZSPTAWCGJSTE-UHFFFAOYSA-N 0 0 307.313 0.861 50 0 DCAARN COCc1noc(CCNc2nc(C)nc3c2cnn3C)n1 ZINC000095385351 415559358 /nfs/dbraw/zinc/55/93/58/415559358.db2.gz QUFPARMMFYLZEA-UHFFFAOYSA-N 0 0 303.326 0.856 50 0 DCAARN CCS(=O)(=O)CCNC(=O)[C@H](c1ccccc1F)N(C)C ZINC000095372712 415559669 /nfs/dbraw/zinc/55/96/69/415559669.db2.gz MZWUPRRLMDLEGA-ZDUSSCGKSA-N 0 0 316.398 0.979 50 0 DCAARN C[C@H](NS(C)(=O)=O)C(=O)N(C)CCOc1ccccc1 ZINC000095955359 415562832 /nfs/dbraw/zinc/56/28/32/415562832.db2.gz FORMGZNYQUKYCK-NSHDSACASA-N 0 0 300.380 0.462 50 0 DCAARN CCOC(=O)[C@@H]1CSCCN1CC(=O)NC(=O)NC(C)C ZINC000095948771 415563400 /nfs/dbraw/zinc/56/34/00/415563400.db2.gz ASGRJTGNHYBSJV-JTQLQIEISA-N 0 0 317.411 0.201 50 0 DCAARN O=C1C[C@@H](Nc2ccc3c(c2)NC(=O)CO3)C(=O)N1C1CC1 ZINC000103022373 415607142 /nfs/dbraw/zinc/60/71/42/415607142.db2.gz SCCATPMTVDVIQE-LLVKDONJSA-N 0 0 301.302 0.719 50 0 DCAARN Cc1nc(N2CCN(C)CC2)ncc1C(=O)NCc1ccon1 ZINC000097117105 415584729 /nfs/dbraw/zinc/58/47/29/415584729.db2.gz MFPPRVJVZLBSKP-UHFFFAOYSA-N 0 0 316.365 0.455 50 0 DCAARN Cc1ccnc2nc(C(=O)NCc3ccc4[nH]c(=O)[nH]c4c3)nn21 ZINC000097106979 415585707 /nfs/dbraw/zinc/58/57/07/415585707.db2.gz GFEUOOWIFSHKBX-UHFFFAOYSA-N 0 0 323.316 0.532 50 0 DCAARN CC(CO)(CO)NC(=O)Cc1ccccc1Br ZINC000097108758 415586408 /nfs/dbraw/zinc/58/64/08/415586408.db2.gz VKEDVDZSNVAISY-UHFFFAOYSA-N 0 0 302.168 0.851 50 0 DCAARN Cn1nc(CO)c2c1CCN(Cc1ccccc1OCCO)C2 ZINC000097179356 415587280 /nfs/dbraw/zinc/58/72/80/415587280.db2.gz UYEJYFVOOHXKLQ-UHFFFAOYSA-N 0 0 317.389 0.842 50 0 DCAARN CC[C@@H]1CN(C(=O)[C@H](C)n2cncn2)C[C@H]1N1CCOCC1 ZINC000107354572 415669407 /nfs/dbraw/zinc/66/94/07/415669407.db2.gz AEMWPAOUFDFZQU-BFHYXJOUSA-N 0 0 307.398 0.408 50 0 DCAARN O=C(Cc1ccc(O)cc1)NN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000110357712 415685190 /nfs/dbraw/zinc/68/51/90/415685190.db2.gz OVNQGHOEKPMISG-CHWSQXEVSA-N 0 0 300.314 0.917 50 0 DCAARN COc1cccc(CN2CCN(C(=O)[C@H]3CCOC3)CC2=O)c1 ZINC000299762253 416064658 /nfs/dbraw/zinc/06/46/58/416064658.db2.gz NERDAVKOWVSIOO-AWEZNQCLSA-N 0 0 318.373 0.903 50 0 DCAARN O=C(NCCc1cn2ccsc2n1)[C@@H]1CCC(=O)NC(=O)N1 ZINC000299772424 416065300 /nfs/dbraw/zinc/06/53/00/416065300.db2.gz XEATUXNBCADHRC-VIFPVBQESA-N 0 0 321.362 0.043 50 0 DCAARN Cn1nc2c(c1C(=O)NCCc1noc(CO)n1)CCCC2 ZINC000299784677 416067323 /nfs/dbraw/zinc/06/73/23/416067323.db2.gz ORNRONBXNQFREC-UHFFFAOYSA-N 0 0 305.338 0.147 50 0 DCAARN Cc1cc(N)n(CC(=O)NCCc2noc(C(F)(F)F)n2)n1 ZINC000299790519 416069435 /nfs/dbraw/zinc/06/94/35/416069435.db2.gz BKHWSRZTENLSAA-UHFFFAOYSA-N 0 0 318.259 0.534 50 0 DCAARN Cc1ccc2nc(C(=O)N3CC[C@@H](CS(N)(=O)=O)C3)cn2c1 ZINC000299802560 416070981 /nfs/dbraw/zinc/07/09/81/416070981.db2.gz ZKLXMVVOWZKGBX-LLVKDONJSA-N 0 0 322.390 0.393 50 0 DCAARN CCN(Cc1nc(COC)no1)C(=O)CN1CCCCCC1=O ZINC000299802806 416071471 /nfs/dbraw/zinc/07/14/71/416071471.db2.gz QFNJTAKRIOXEPV-UHFFFAOYSA-N 0 0 324.381 0.967 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCN(C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000299798331 416071890 /nfs/dbraw/zinc/07/18/90/416071890.db2.gz QWWFYHAAZGDNJZ-SECBINFHSA-N 0 0 312.395 0.039 50 0 DCAARN Cn1cc([C@@H]2C[N@H+](CCc3nccn3C)C[C@@H]2CC(=O)[O-])nn1 ZINC000299800708 416071915 /nfs/dbraw/zinc/07/19/15/416071915.db2.gz VIHDSUOACVIEIX-NWDGAFQWSA-N 0 0 318.381 0.281 50 0 DCAARN Cc1cc(=O)c(C(=O)NCCNC(=O)c2cccnc2)c[nH]1 ZINC000174637199 416083834 /nfs/dbraw/zinc/08/38/34/416083834.db2.gz VDDORHLGMNCFNX-UHFFFAOYSA-N 0 0 300.318 0.238 50 0 DCAARN COC(=O)N1CC(NC(=O)c2cccnc2N2CCCC2)C1 ZINC000178599727 416166800 /nfs/dbraw/zinc/16/68/00/416166800.db2.gz TYZYZDQIECOENX-UHFFFAOYSA-N 0 0 304.350 0.862 50 0 DCAARN O=C(Cn1cnc2cnccc2c1=O)NCCOc1ccccc1 ZINC000181265496 416203952 /nfs/dbraw/zinc/20/39/52/416203952.db2.gz QAPKQFPBABVYBF-UHFFFAOYSA-N 0 0 324.340 0.987 50 0 DCAARN CN(CCN(C)C1CC1)C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000331426482 416311461 /nfs/dbraw/zinc/31/14/61/416311461.db2.gz FCSPSVBQZJYNTM-UHFFFAOYSA-N 0 0 300.380 0.849 50 0 DCAARN CCOCCN1CCN(CC(=O)Nc2cc(C)nn2C)C[C@H]1C ZINC000247124274 416332449 /nfs/dbraw/zinc/33/24/49/416332449.db2.gz JYNXTBJIRVAFKT-CQSZACIVSA-N 0 0 323.441 0.710 50 0 DCAARN COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000252514303 416334550 /nfs/dbraw/zinc/33/45/50/416334550.db2.gz BXRKHINAZISOHO-SRVKXCTJSA-N 0 0 322.427 0.207 50 0 DCAARN CCOc1cc(C(=O)N2CCN(c3ncccn3)CC2)ncn1 ZINC000253406032 416334693 /nfs/dbraw/zinc/33/46/93/416334693.db2.gz UCRRVDAUBSFNGC-UHFFFAOYSA-N 0 0 314.349 0.628 50 0 DCAARN COC(=O)c1cn(CC(=O)NCC(C)C)cc2c(=O)[nH]nc1-2 ZINC000263587834 416338415 /nfs/dbraw/zinc/33/84/15/416338415.db2.gz LTVICRFUUBXYIB-UHFFFAOYSA-N 0 0 306.322 0.235 50 0 DCAARN COCCN1Cc2cc(C(=O)NC3CC3)ccc2OCC1=O ZINC000263617123 416338481 /nfs/dbraw/zinc/33/84/81/416338481.db2.gz MDOMKSXCRZMBPM-UHFFFAOYSA-N 0 0 304.346 0.946 50 0 DCAARN CCn1cc(C(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c(C)n1 ZINC000215309188 416326994 /nfs/dbraw/zinc/32/69/94/416326994.db2.gz MITWJCFNBZJWFY-AWEZNQCLSA-N 0 0 320.393 0.675 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N1CCC(Oc2cccnc2)CC1 ZINC000216270878 416327389 /nfs/dbraw/zinc/32/73/89/416327389.db2.gz AGZRFJUROCYTCF-GFCCVEGCSA-N 0 0 318.333 0.050 50 0 DCAARN Cc1nc(C)c(CC(=O)N2CCC(n3cnnc3)CC2)c(=O)[nH]1 ZINC000216375570 416327457 /nfs/dbraw/zinc/32/74/57/416327457.db2.gz NDDZUFLBQXYQJV-UHFFFAOYSA-N 0 0 316.365 0.384 50 0 DCAARN O=C(c1cnn2c1OCCC2)N1CC[C@@H](Oc2cnccn2)C1 ZINC000225795961 416327797 /nfs/dbraw/zinc/32/77/97/416327797.db2.gz XVQUKAVZRGLRDO-LLVKDONJSA-N 0 0 315.333 0.749 50 0 DCAARN CCn1nccc1CN(C)S(=O)(=O)CCOCCOC ZINC000241795462 416330267 /nfs/dbraw/zinc/33/02/67/416330267.db2.gz RZJLNFNABMSXBC-UHFFFAOYSA-N 0 0 305.400 0.328 50 0 DCAARN Cn1cc([C@H](Nc2cncc(C(N)=O)n2)[C@H]2C[C@H](O)C2)cn1 ZINC000244719002 416330791 /nfs/dbraw/zinc/33/07/91/416330791.db2.gz LUVJBLJHQXHKTC-ZDSQKVDBSA-N 0 0 302.338 0.233 50 0 DCAARN Cc1nnnn1CCC(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000244715985 416330938 /nfs/dbraw/zinc/33/09/38/416330938.db2.gz LGHPOXPNCLDWKL-LALPHHSUSA-N 0 0 316.365 0.395 50 0 DCAARN CN1CCN(C(=O)CN2CCC(O)CC2)[C@@H](c2ccccc2)C1 ZINC000244774037 416331025 /nfs/dbraw/zinc/33/10/25/416331025.db2.gz PMWXJITWPREYKQ-QGZVFWFLSA-N 0 0 317.433 0.958 50 0 DCAARN COCc1nnc(NC(=O)CN2CCc3n[nH]cc3C2)s1 ZINC000244795883 416331206 /nfs/dbraw/zinc/33/12/06/416331206.db2.gz RPBRTMZRUZBLSF-UHFFFAOYSA-N 0 0 308.367 0.404 50 0 DCAARN CCc1cnccc1C(=O)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618913 416478178 /nfs/dbraw/zinc/47/81/78/416478178.db2.gz GYXBXCJCPPLLIR-HNNXBMFYSA-N 0 0 301.350 0.886 50 0 DCAARN CNc1nc(C(=O)N2CCN(CCSC)CC2)cs1 ZINC000584890395 416515474 /nfs/dbraw/zinc/51/54/74/416515474.db2.gz FNOUWQCVTQOHFQ-UHFFFAOYSA-N 0 0 300.453 1.306 50 0 DCAARN CCc1nc(C)c(CC(=O)N[C@H](C)c2nc(N)n[nH]2)c(=O)[nH]1 ZINC000584894702 416516883 /nfs/dbraw/zinc/51/68/83/416516883.db2.gz IDAKXNBVFGXLDV-SSDOTTSWSA-N 0 0 305.342 0.173 50 0 DCAARN Cc1nnc(N2CCN(C(=O)N3CCSCC3)CC2)n1C ZINC000585115024 416517888 /nfs/dbraw/zinc/51/78/88/416517888.db2.gz JHPMKIYFJLRYDW-UHFFFAOYSA-N 0 0 310.427 0.414 50 0 DCAARN CN1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)[C@@H](CO)C1 ZINC000585115362 416518125 /nfs/dbraw/zinc/51/81/25/416518125.db2.gz XRRVPAWYAPNLFR-LLVKDONJSA-N 0 0 322.789 0.776 50 0 DCAARN CC(C)(C)n1nnnc1CN1CC[C@@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000585116134 416518595 /nfs/dbraw/zinc/51/85/95/416518595.db2.gz IHWMDYXYPPLHQQ-SECBINFHSA-N 0 0 318.385 0.495 50 0 DCAARN C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1S(=O)(=O)c1cccc2c1OCC2 ZINC000585115149 416518678 /nfs/dbraw/zinc/51/86/78/416518678.db2.gz OJFMAHHSXWBODO-HBNTYKKESA-N 0 0 324.402 0.908 50 0 DCAARN Nc1nc([C@H]2CCOC2)cc(N(CCO)Cc2ccco2)n1 ZINC000426371053 416763008 /nfs/dbraw/zinc/76/30/08/416763008.db2.gz NWTDQXVCGBIIFE-NSHDSACASA-N 0 0 304.350 1.155 50 0 DCAARN COC[C@H](C)n1ccc(NC(=O)N2CCC[C@@H](C(=O)OC)C2)n1 ZINC000390835362 417101885 /nfs/dbraw/zinc/10/18/85/417101885.db2.gz LVKXSRBRJIOBGR-NWDGAFQWSA-N 0 0 324.381 1.507 50 0 DCAARN CCc1ccc(CC(=O)N2CCC[C@]2(COC)C(=O)NC)nc1 ZINC000616433136 417045929 /nfs/dbraw/zinc/04/59/29/417045929.db2.gz DYENIDIEIAMQSU-KRWDZBQOSA-N 0 0 319.405 0.940 50 0 DCAARN Cn1nccc1C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(N)=O ZINC000575550806 417539713 /nfs/dbraw/zinc/53/97/13/417539713.db2.gz AQKMOBAXKBJRHN-JSGCOSHPSA-N 0 0 314.345 0.568 50 0 DCAARN Cc1cc(C(=O)NCc2nc(N(C)C)nc(N(C)C)n2)no1 ZINC000575603296 417540006 /nfs/dbraw/zinc/54/00/06/417540006.db2.gz CPIHQKKVKPRIQP-UHFFFAOYSA-N 0 0 305.342 0.230 50 0 DCAARN O=C1COC(=O)N1CCNS(=O)(=O)c1ccccc1Cl ZINC000575617616 417540705 /nfs/dbraw/zinc/54/07/05/417540705.db2.gz YENLUSLBRKXGKS-UHFFFAOYSA-N 0 0 318.738 0.597 50 0 DCAARN Cc1nccc(NCc2nnc3ccc(N4CCCC4)nn32)n1 ZINC000575615905 417540752 /nfs/dbraw/zinc/54/07/52/417540752.db2.gz HKBJRFTYNRTKTA-UHFFFAOYSA-N 0 0 310.365 1.435 50 0 DCAARN NS(=O)(=O)CCNC(=O)NCc1ccccc1OC(F)F ZINC000298727835 228723863 /nfs/dbraw/zinc/72/38/63/228723863.db2.gz KXHNSKFKPJFFIL-UHFFFAOYSA-N 0 0 323.321 0.376 50 0 DCAARN COCc1ccccc1CNC(=O)CN1C[C@H](F)C[C@H]1C(N)=O ZINC000299746078 229389909 /nfs/dbraw/zinc/38/99/09/229389909.db2.gz VEERHHYHYBQSRB-KGLIPLIRSA-N 0 0 323.368 0.347 50 0 DCAARN Cc1cc(CC(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)on1 ZINC000299763584 229411094 /nfs/dbraw/zinc/41/10/94/229411094.db2.gz OYGRRGKPPMQTPO-STQMWFEESA-N 0 0 303.322 0.489 50 0 DCAARN Cc1nn[nH]c1C(=O)NCC[C@@H]1CCCCN1S(C)(=O)=O ZINC000299783388 229437100 /nfs/dbraw/zinc/43/71/00/229437100.db2.gz YVTYRLKMIWOVMM-JTQLQIEISA-N 0 0 315.399 0.047 50 0 DCAARN CN(C)c1cc(C(=O)N2C[C@H](CO)[C@H](O)C2)c2ccccc2n1 ZINC000424061964 271396805 /nfs/dbraw/zinc/39/68/05/271396805.db2.gz UNSAIJXQPCQQJJ-IAQYHMDHSA-N 0 0 315.373 0.726 50 0 DCAARN Cc1ccc2c(c1)CN(Cc1cn(CC(N)=O)nn1)CCO2 ZINC000459547179 272000360 /nfs/dbraw/zinc/00/03/60/272000360.db2.gz OOLZLUUCLKFEIF-UHFFFAOYSA-N 0 0 301.350 0.466 50 0 DCAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(=O)N3c1ccccc1 ZINC000006161101 274889701 /nfs/dbraw/zinc/88/97/01/274889701.db2.gz RZWINIADAXNUDH-UHFFFAOYSA-N 0 0 311.301 0.112 50 0 DCAARN CCn1c(C)c(C)n2c1nc1c2c(=O)n(CC(C)=O)c(=O)n1C ZINC000004314466 276710679 /nfs/dbraw/zinc/71/06/79/276710679.db2.gz KJDISZJJFNAUJA-UHFFFAOYSA-N 0 0 317.349 0.375 50 0 DCAARN CC(=O)[C@@H](C)n1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O ZINC000008710201 277094831 /nfs/dbraw/zinc/09/48/31/277094831.db2.gz UOPLCHPXQIGXCL-ZCFIWIBFSA-N 0 0 304.306 0.708 50 0 DCAARN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000048285674 278022384 /nfs/dbraw/zinc/02/23/84/278022384.db2.gz VWTJOJPTNPQFGG-STQMWFEESA-N 0 0 305.382 0.532 50 0 DCAARN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-n2cccn2)nc1 ZINC000071829666 278377158 /nfs/dbraw/zinc/37/71/58/278377158.db2.gz UCRCKXQQHLUDQB-WCQYABFASA-N 0 0 313.361 0.993 50 0 DCAARN CC(C)(C)S(=O)(=O)CC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000153815173 278476260 /nfs/dbraw/zinc/47/62/60/278476260.db2.gz WKXPQAQNBNLDIO-SNVBAGLBSA-N 0 0 317.329 0.725 50 0 DCAARN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000071808788 278576366 /nfs/dbraw/zinc/57/63/66/278576366.db2.gz HVUYSYRFNCSINP-NXEZZACHSA-N 0 0 314.345 0.649 50 0 DCAARN CCN(CC)C(=O)CN1CCCN(C(=O)c2cncnc2)CC1 ZINC000332221414 279068138 /nfs/dbraw/zinc/06/81/38/279068138.db2.gz KLTMPIVKDHOQCW-UHFFFAOYSA-N 0 0 319.409 0.493 50 0 DCAARN CC(C)C[C@H](NC(=O)c1cc2n(n1)CCNC2)c1ncnn1C ZINC000065372230 279190323 /nfs/dbraw/zinc/19/03/23/279190323.db2.gz WGOJTUKWBGAAIL-LBPRGKRZSA-N 0 0 317.397 0.632 50 0 DCAARN Cc1nn(C)c2nc(N3C[C@H](O)[C@@H](N4CCOCC4)C3)sc12 ZINC000096153646 279208007 /nfs/dbraw/zinc/20/80/07/279208007.db2.gz GZSSFRVMFYHYCA-QWRGUYRKSA-N 0 0 323.422 0.220 50 0 DCAARN CCOC(=O)CN1c2ccccc2C(=O)N2C[C@@H](O)C[C@@H]2C1=O ZINC000036575577 279556042 /nfs/dbraw/zinc/55/60/42/279556042.db2.gz PCXIUDUAIJGXIX-GXFFZTMASA-N 0 0 318.329 0.172 50 0 DCAARN O=c1c(F)cn([C@@H]2CCCO2)c(=O)n1C[C@H](O)C(F)(F)F ZINC000097377989 280390055 /nfs/dbraw/zinc/39/00/55/280390055.db2.gz MIJYTXGISLTZLP-YUMQZZPRSA-N 0 0 312.219 0.381 50 0 DCAARN CC[C@@H]1NC(=O)[C@H]2CN(C(=O)NC3CCCCC3)CCN2C1=O ZINC000014750681 280567739 /nfs/dbraw/zinc/56/77/39/280567739.db2.gz DOYKXAKGYMMISL-QWHCGFSZSA-N 0 0 322.409 0.450 50 0 DCAARN CC1(C)Cn2c(nc(=O)c3c2NC(=O)[C@@]3(O)C(F)(F)F)S1 ZINC000004745725 281377431 /nfs/dbraw/zinc/37/74/31/281377431.db2.gz AEUVBEZASWOHMD-SNVBAGLBSA-N 0 0 321.280 0.830 50 0 DCAARN C[C@H]1C(=O)NCCN1c1nc(C(C)(C)C)nc2c1cnn2C ZINC000072119555 290313023 /nfs/dbraw/zinc/31/30/23/290313023.db2.gz WSTVAFAPHOGFRA-VIFPVBQESA-N 0 0 302.382 0.986 50 0 DCAARN Cc1n[nH]c(C)c1NC(=O)CN1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000127284297 293101474 /nfs/dbraw/zinc/10/14/74/293101474.db2.gz ARVMZPBBBBDZME-WDEREUQCSA-N 0 0 314.411 0.472 50 0 DCAARN Cn1c(=O)[nH]c(=O)c2c1NC(=O)N[C@H]2c1ccc(Cl)cc1 ZINC000020729073 294135534 /nfs/dbraw/zinc/13/55/34/294135534.db2.gz REFSHMBSPGVEEK-VIFPVBQESA-N 0 0 306.709 0.952 50 0 DCAARN COc1cccc([C@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1OC ZINC000009012397 295327052 /nfs/dbraw/zinc/32/70/52/295327052.db2.gz UNJPCPWYEMGMLI-MRVPVSSYSA-N 0 0 316.317 0.843 50 0 DCAARN Nc1nccnc1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000021497994 295373328 /nfs/dbraw/zinc/37/33/28/295373328.db2.gz FAQCFNKCIFFHKZ-SNVBAGLBSA-N 0 0 318.358 0.707 50 0 DCAARN C[C@H](CNC(=O)N[C@@H](C)C(=O)N1CCCC1)N1CCOCC1 ZINC000070018885 298728913 /nfs/dbraw/zinc/72/89/13/298728913.db2.gz VGZXUBOQIBZBAD-OLZOCXBDSA-N 0 0 312.414 0.017 50 0 DCAARN Cc1cc(C(=O)N2CC[NH2+][C@@H](C)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000262597615 301101876 /nfs/dbraw/zinc/10/18/76/301101876.db2.gz LRJGMZIXHKICGJ-QMMMGPOBSA-N 0 0 303.322 0.178 50 0 DCAARN O=S1(=O)CCN(C2CCN(CC(F)(F)F)CC2)CC1 ZINC000097147492 304791143 /nfs/dbraw/zinc/79/11/43/304791143.db2.gz VDLOWPXELWAUAP-UHFFFAOYSA-N 0 0 300.346 0.744 50 0 DCAARN CCOC(=O)c1cn(CCNc2ncnc3c2ncn3C)cn1 ZINC000521394217 333146857 /nfs/dbraw/zinc/14/68/57/333146857.db2.gz QBIXSIRWXUOAHK-UHFFFAOYSA-N 0 0 315.337 0.849 50 0 DCAARN CCc1nc(S(=O)(=O)NC[C@@H](CC)N2CCOCC2)c[nH]1 ZINC000534590163 334294187 /nfs/dbraw/zinc/29/41/87/334294187.db2.gz ATKJMASCMIOYBK-LLVKDONJSA-N 0 0 316.427 0.361 50 0 DCAARN CCS(=O)(=O)[C@H](C)C(=O)NCC1(CN2CCOCC2)CC1 ZINC000534650469 334311726 /nfs/dbraw/zinc/31/17/26/334311726.db2.gz RGVYCDZCTCKATM-GFCCVEGCSA-N 0 0 318.439 0.038 50 0 DCAARN CC(C)[C@H](NS(=O)(=O)N1CCOCC1)c1nccn1C ZINC000534659661 334315537 /nfs/dbraw/zinc/31/55/37/334315537.db2.gz NQRRHOLXANULFI-NSHDSACASA-N 0 0 302.400 0.284 50 0 DCAARN O=C(CCn1c(=O)[nH]c2ccccc21)NCCn1cncn1 ZINC000534663375 334322911 /nfs/dbraw/zinc/32/29/11/334322911.db2.gz BJHJFZSNTYIYPB-UHFFFAOYSA-N 0 0 300.322 0.540 50 0 DCAARN O=C(N[C@@H]1CCCCNC1=O)c1nc2ccccc2c(=O)[nH]1 ZINC000020785183 337332850 /nfs/dbraw/zinc/33/28/50/337332850.db2.gz KEFWWBCCQWGYIW-LLVKDONJSA-N 0 0 300.318 0.322 50 0 DCAARN Cc1ccc(CN(C(=O)CN2CCNC(=O)C2)C2CC2)cc1 ZINC000051379840 533835470 /nfs/dbraw/zinc/83/54/70/533835470.db2.gz WHDRHJMHXFJIHK-UHFFFAOYSA-N 0 0 301.390 0.918 50 0 DCAARN CN(C(=O)[C@@H]1COCCN1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000237035129 523899764 /nfs/dbraw/zinc/89/97/64/523899764.db2.gz LXDUBAUSOCNYRD-JSGCOSHPSA-N 0 0 321.352 0.378 50 0 DCAARN O=C(CN1C(=O)c2ccc(F)cc2C1=O)NC[C@@H]1CCCO1 ZINC000176787079 526718265 /nfs/dbraw/zinc/71/82/65/526718265.db2.gz PADDXIQBSQYCSF-JTQLQIEISA-N 0 0 306.293 0.717 50 0 DCAARN C=CC(=O)N1CCN([C@H]2CCCN(C3CCOCC3)C2=O)CC1 ZINC000328596925 526916450 /nfs/dbraw/zinc/91/64/50/526916450.db2.gz BNUAEYRCFZGPNC-HNNXBMFYSA-N 0 0 321.421 0.487 50 0 DCAARN CC(=O)N1NC(N)=C2NC(c3ccc(Cl)cc3Cl)=NN21 ZINC000039931603 545647998 /nfs/dbraw/zinc/64/79/98/545647998.db2.gz PYJZLYAGMOWTIP-UHFFFAOYSA-N 0 0 313.148 0.927 50 0 DCAARN COCCNC(=O)c1nc(-c2ccccn2)nc2c1OCCO2 ZINC000065293223 545659602 /nfs/dbraw/zinc/65/96/02/545659602.db2.gz XPPWDRGCVQHQNQ-UHFFFAOYSA-N 0 0 316.317 0.686 50 0 DCAARN O=C(c1ccc(Cn2cncn2)cc1)N1CCN(CCO)CC1 ZINC000084404929 545700000 /nfs/dbraw/zinc/70/00/00/545700000.db2.gz FOOWZBREKPGQBU-UHFFFAOYSA-N 0 0 315.377 0.077 50 0 DCAARN O=S(=O)(NCCn1cncn1)N1CCC[C@H]1c1ccco1 ZINC000084432408 545701154 /nfs/dbraw/zinc/70/11/54/545701154.db2.gz TWFJJKQGLUPNDK-NSHDSACASA-N 0 0 311.367 0.543 50 0 DCAARN CC(C)c1nnc([C@@H]2CN(Cc3nnnn3C3CC3)CCO2)[nH]1 ZINC000084630923 545701582 /nfs/dbraw/zinc/70/15/82/545701582.db2.gz YSFPGBQRVKAEPS-NSHDSACASA-N 0 0 318.385 0.823 50 0 DCAARN Cc1cc(O[C@H]2CCN(C(=O)N3CCNC3=O)C2)cc(=O)o1 ZINC000206967209 545936419 /nfs/dbraw/zinc/93/64/19/545936419.db2.gz BOARLVITZGPOQX-JTQLQIEISA-N 0 0 307.306 0.547 50 0 DCAARN Cc1ncc(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)c(=O)[nH]1 ZINC000215800028 545937430 /nfs/dbraw/zinc/93/74/30/545937430.db2.gz RLBAYKNFJKZLEQ-LLVKDONJSA-N 0 0 307.350 0.536 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)Cn3nnnc3N)cc2c1 ZINC000216001798 545939025 /nfs/dbraw/zinc/93/90/25/545939025.db2.gz MIWXHGXBSPKNHM-UHFFFAOYSA-N 0 0 301.310 0.062 50 0 DCAARN Cn1cc(C(=O)NCCn2cnc3ccsc3c2=O)nn1 ZINC000238833100 545960113 /nfs/dbraw/zinc/96/01/13/545960113.db2.gz GJQAKADDTLPUMI-UHFFFAOYSA-N 0 0 304.335 0.017 50 0 DCAARN CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000585094201 546303490 /nfs/dbraw/zinc/30/34/90/546303490.db2.gz OLYBAGYRFSNTCS-JTQLQIEISA-N 0 0 322.308 0.907 50 0 DCAARN CC(C)c1ocnc1C(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000670433944 547087844 /nfs/dbraw/zinc/08/78/44/547087844.db2.gz ZXWMQBCPFGGHAU-UHFFFAOYSA-N 0 0 304.354 0.874 50 0 DCAARN O=C(c1scc2c1OCCO2)N1CCN2C(=O)OC[C@@H]2C1 ZINC000670437488 547090219 /nfs/dbraw/zinc/09/02/19/547090219.db2.gz YKBJZPOXHSFUTH-QMMMGPOBSA-N 0 0 310.331 0.796 50 0 DCAARN CCCN1C[C@@H](NS(=O)(=O)c2ccnn2CCC)CC1=O ZINC000670437221 547090468 /nfs/dbraw/zinc/09/04/68/547090468.db2.gz FNGCAKUWLXIGIQ-NSHDSACASA-N 0 0 314.411 0.582 50 0 DCAARN Cc1nn(CCC(=O)N2CCO[C@H](C(=O)N(C)C)C2)c(C)c1C ZINC000670439982 547091041 /nfs/dbraw/zinc/09/10/41/547091041.db2.gz ODFIRQSDCMTNHV-AWEZNQCLSA-N 0 0 322.409 0.514 50 0 DCAARN COCCCCN1CCN(S(=O)(=O)c2cn[nH]c2)CC1 ZINC000670444696 547093935 /nfs/dbraw/zinc/09/39/35/547093935.db2.gz JGBVSBMAKWNNEX-UHFFFAOYSA-N 0 0 302.400 0.143 50 0 DCAARN O=S(=O)(NCc1[nH]nc2c1CCCCC2)N1CCOCC1 ZINC000670446666 547095198 /nfs/dbraw/zinc/09/51/98/547095198.db2.gz HDTZIQJNSPIZMY-UHFFFAOYSA-N 0 0 314.411 0.345 50 0 DCAARN NC(=O)c1cncc(N2CCCN(C(=O)C3CCC3)CC2)n1 ZINC000670459787 547098159 /nfs/dbraw/zinc/09/81/59/547098159.db2.gz ZJHWYXVVNVBAHO-UHFFFAOYSA-N 0 0 303.366 0.414 50 0 DCAARN CN(C)c1ccc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)nc1 ZINC000685941748 548746871 /nfs/dbraw/zinc/74/68/71/548746871.db2.gz HRUALTBIQVDTGT-UONOGXRCSA-N 0 0 317.349 0.447 50 0 DCAARN NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 ZINC000685943965 548748816 /nfs/dbraw/zinc/74/88/16/548748816.db2.gz QJHGQPFIOKJYCC-UHFFFAOYSA-N 0 0 310.297 0.945 50 0 DCAARN O=C([O-])c1cccc(CC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000685945029 548748958 /nfs/dbraw/zinc/74/89/58/548748958.db2.gz PBSPYRDQUPHFNA-HNNXBMFYSA-N 0 0 317.389 0.433 50 0 DCAARN CCO[C@@]1(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)CCOC1 ZINC000585088624 661465217 /nfs/dbraw/zinc/46/52/17/661465217.db2.gz IESNJZPVTKARCR-PBHICJAKSA-N 0 0 324.421 0.947 50 0 DCAARN CCCC[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)NC ZINC000585088587 661465366 /nfs/dbraw/zinc/46/53/66/661465366.db2.gz BVPLHPCVOZFJPV-VXGBXAGGSA-N 0 0 318.439 0.574 50 0 DCAARN O=C1NC[C@@H](O)CC12CN(c1ccc(C(F)(F)F)cn1)C2 ZINC000952992652 665857750 /nfs/dbraw/zinc/85/77/50/665857750.db2.gz AVYOBLHTPJXNHW-VIFPVBQESA-N 0 0 301.268 0.788 50 0 DCAARN CC1CC(CS(=O)(=O)N2CCC[C@@H](N3CCNC3=O)C2)C1 ZINC000952995779 665878914 /nfs/dbraw/zinc/87/89/14/665878914.db2.gz YNWGSXLGRSZRRN-WXRRBKDZSA-N 0 0 315.439 0.852 50 0 DCAARN CN1CC[C@H](C(=O)Nc2cncnc2N2CCCC2)CC1=O ZINC000186230654 665361053 /nfs/dbraw/zinc/36/10/53/665361053.db2.gz XGHNNKVQLVMQKE-NSHDSACASA-N 0 0 303.366 0.884 50 0 DCAARN Cc1c[nH]c(CN(C)C[C@@]2(O)CCCN(CC3CC3)C2=O)n1 ZINC000012446751 666643437 /nfs/dbraw/zinc/64/34/37/666643437.db2.gz OSCWVSVKLSPXBA-INIZCTEOSA-N 0 0 306.410 0.913 50 0 DCAARN O[C@]1(c2cn[nH]n2)CCN(c2ncnc3ccc(F)cc32)C1 ZINC000793992873 669764142 /nfs/dbraw/zinc/76/41/42/669764142.db2.gz QEXQLYHYIQTITP-CQSZACIVSA-N 0 0 300.297 0.985 50 0 DCAARN C[C@H]1CC[C@@H](NC(=O)NCCc2cnccn2)CS1(=O)=O ZINC000853958864 670508655 /nfs/dbraw/zinc/50/86/55/670508655.db2.gz AOOVFTCZYAGWLM-CMPLNLGQSA-N 0 0 312.395 0.284 50 0 DCAARN CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000818027186 670962814 /nfs/dbraw/zinc/96/28/14/670962814.db2.gz UGYPNJCSYPVOKF-NQBHXWOUSA-N 0 0 324.381 0.588 50 0 DCAARN O=C1c2sc3nc(=O)cnn3c2C(=O)N1Cc1ccccc1 ZINC000000113462 671585878 /nfs/dbraw/zinc/58/58/78/671585878.db2.gz ADCZLTJQZJHIPQ-UHFFFAOYSA-N 0 0 312.310 0.947 50 0 DCAARN O=C(CCCn1cnc2ccccc2c1=O)N1C[C@@H](O)[C@H](F)C1 ZINC000952990856 685602670 /nfs/dbraw/zinc/60/26/70/685602670.db2.gz ULBGALXHPNIFNP-TZMCWYRMSA-N 0 0 319.336 0.718 50 0 DCAARN O=C(N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1)c1cnccn1 ZINC000015078555 685049504 /nfs/dbraw/zinc/04/95/04/685049504.db2.gz SGIFVSJHSSMHSX-CQSZACIVSA-N 0 0 322.368 0.975 50 0 DCAARN Cc1nc(C)n(C[C@@H](C)c2nc(CN3CCN(C)CC3)no2)n1 ZINC000067514998 685068976 /nfs/dbraw/zinc/06/89/76/685068976.db2.gz MEOIOHKWWFTKKC-LLVKDONJSA-N 0 0 319.413 0.829 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)N2CCC[C@@H](C(=O)N(C)C)C2)CC1=O ZINC000069022736 685072076 /nfs/dbraw/zinc/07/20/76/685072076.db2.gz VCBSUQYHSOOADX-KGLIPLIRSA-N 0 0 323.437 0.818 50 0 DCAARN O=C1CC[C@@]2(CCOC2)CN1Cc1nc(-c2cnccn2)n[nH]1 ZINC000092066856 685107005 /nfs/dbraw/zinc/10/70/05/685107005.db2.gz WMUYXPWDRFWTBC-OAHLLOKOSA-N 0 0 314.349 0.791 50 0 DCAARN CS(=O)(=O)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000284988530 685202546 /nfs/dbraw/zinc/20/25/46/685202546.db2.gz BHIFGXGKJIHGDD-UHFFFAOYSA-N 0 0 308.363 0.507 50 0 DCAARN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cnc(C(N)=O)cn1 ZINC001772704090 1157842503 /nfs/dbraw/zinc/84/25/03/1157842503.db2.gz LWUDRWPFVQSZFC-SSDOTTSWSA-N 0 0 302.338 0.417 50 0 DCAARN O=C(c1cc(=O)c2ccccc2o1)N1CCC([C@H](O)CO)CC1 ZINC001772707888 1157845292 /nfs/dbraw/zinc/84/52/92/1157845292.db2.gz YFMKEVADCLLRTF-CQSZACIVSA-N 0 0 317.341 0.998 50 0 DCAARN Cc1cc(CC(=O)N2CCCN(C(=O)[C@@H]3CCOC3)CC2)on1 ZINC001704299125 1179964553 /nfs/dbraw/zinc/96/45/53/1179964553.db2.gz MVFYFCRQWLDNGO-CYBMUJFWSA-N 0 0 321.377 0.623 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cc(O)ccc3N)C[C@@H]2O)[nH]n1 ZINC001704299589 1179965017 /nfs/dbraw/zinc/96/50/17/1179965017.db2.gz RKSIBXZWGCNLKO-BMIGLBTASA-N 0 0 316.361 0.682 50 0 DCAARN O=C(CCc1cn[nH]c1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704301355 1179965803 /nfs/dbraw/zinc/96/58/03/1179965803.db2.gz VYVMGBVSGXNQKX-TZMCWYRMSA-N 0 0 301.350 0.194 50 0 DCAARN COCC1(C(=O)N2C[C@H](O)[C@H](Cc3cc(C)n[nH]3)C2)CCC1 ZINC001704315321 1179970738 /nfs/dbraw/zinc/97/07/38/1179970738.db2.gz RXXCXGFEBOOMEF-OCCSQVGLSA-N 0 0 307.394 0.897 50 0 DCAARN Cc1nc(N(C)C)ncc1C(=O)N(CCO)Cc1ncc[nH]1 ZINC001704315257 1179971306 /nfs/dbraw/zinc/97/13/06/1179971306.db2.gz YZOGEPMUGRHFRW-UHFFFAOYSA-N 0 0 304.354 0.209 50 0 DCAARN COC(=O)N1CCCC[C@H]1C(=O)N(CCO)Cc1ncc[nH]1 ZINC001704325240 1179974041 /nfs/dbraw/zinc/97/40/41/1179974041.db2.gz KGTAYJZGJJOYLR-NSHDSACASA-N 0 0 310.354 0.352 50 0 DCAARN O=C([O-])C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc(F)cc1)C2 ZINC001704333184 1179975949 /nfs/dbraw/zinc/97/59/49/1179975949.db2.gz XOHKWBCSDVARBG-FZMZJTMJSA-N 0 0 322.336 0.683 50 0 DCAARN Cc1cccnc1C(=O)N1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O ZINC001704337967 1179977459 /nfs/dbraw/zinc/97/74/59/1179977459.db2.gz IPQFWESKXORLID-JKSUJKDBSA-N 0 0 320.389 0.897 50 0 DCAARN CC(C)S(=O)(=O)N1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O ZINC001704337461 1179977591 /nfs/dbraw/zinc/97/75/91/1179977591.db2.gz ZXFKRCDFMKCICI-NWDGAFQWSA-N 0 0 307.412 0.091 50 0 DCAARN O=C([C@@H]1CNC(=O)N1)N1CCC2(CC1)OCCc1ccsc12 ZINC001704338219 1179977773 /nfs/dbraw/zinc/97/77/73/1179977773.db2.gz PFGBVTGDIJJWLT-NSHDSACASA-N 0 0 321.402 0.820 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cccc(=O)[nH]3)C[C@H]2O)[nH]n1 ZINC001704342009 1179979194 /nfs/dbraw/zinc/97/91/94/1179979194.db2.gz BLMHYPSGGIZZOO-ZWNOBZJWSA-N 0 0 302.334 0.494 50 0 DCAARN O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C(=O)N1CCCC1 ZINC001704352436 1179982513 /nfs/dbraw/zinc/98/25/13/1179982513.db2.gz YWTHEIFBKRWJOW-ZIAGYGMSSA-N 0 0 303.362 0.378 50 0 DCAARN CC(C)C(=O)N1Cc2c(n(C)nc2C(=O)N2CCOCC2)C1 ZINC000675008908 748024907 /nfs/dbraw/zinc/02/49/07/748024907.db2.gz OTKYXJFDMXNQPB-UHFFFAOYSA-N 0 0 306.366 0.391 50 0 DCAARN CCn1ccc(C(=O)N2CC[C@@H](n3cc(COC)nn3)C2)n1 ZINC000675017731 748026066 /nfs/dbraw/zinc/02/60/66/748026066.db2.gz GBEGCWXIZRZKMW-GFCCVEGCSA-N 0 0 304.354 0.728 50 0 DCAARN COc1ccc(C(=O)N2CC(=O)N3C[C@@H](OC)C[C@H]3C2)cn1 ZINC000675016283 748027086 /nfs/dbraw/zinc/02/70/86/748027086.db2.gz CNXWJFVBXSXCBE-RYUDHWBXSA-N 0 0 305.334 0.162 50 0 DCAARN COCc1cn([C@H]2CCN(C(=O)c3ccc(OC)nc3)C2)nn1 ZINC000675018684 748027673 /nfs/dbraw/zinc/02/76/73/748027673.db2.gz ZKCNQZBQERDXAS-ZDUSSCGKSA-N 0 0 317.349 0.915 50 0 DCAARN CS(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccco3)CC[C@@]2(CO)C1 ZINC000675021049 748027698 /nfs/dbraw/zinc/02/76/98/748027698.db2.gz KTKSWLWBPPXNJY-OCCSQVGLSA-N 0 0 314.407 0.355 50 0 DCAARN CC(C)N1C[C@H](CNc2cncc(C(=O)N(C)C)n2)CC1=O ZINC000821735115 758177968 /nfs/dbraw/zinc/17/79/68/758177968.db2.gz YHGFVYFMZGWSMN-NSHDSACASA-N 0 0 305.382 0.847 50 0 DCAARN CC(C)NC(=O)COc1c2c(cc3c1C(=O)N(C)CC3)OCO2 ZINC000821789251 758181575 /nfs/dbraw/zinc/18/15/75/758181575.db2.gz HWFLISNAGNALDW-UHFFFAOYSA-N 0 0 320.345 0.947 50 0 DCAARN Cc1cnn([C@@H](C)c2nc(CC(N)=O)nn2CC(C)(C)O)c1 ZINC000822276863 758190449 /nfs/dbraw/zinc/19/04/49/758190449.db2.gz WHHNCCFTOUGRLT-JTQLQIEISA-N 0 0 306.370 0.191 50 0 DCAARN CCc1cc(S(=O)(=O)N[C@H]2CCN(C)C2=O)ccc1OC ZINC000823504491 758250710 /nfs/dbraw/zinc/25/07/10/758250710.db2.gz IIKKJSDDNLUIBR-LBPRGKRZSA-N 0 0 312.391 0.767 50 0 DCAARN CN1CCC[C@@H](NS(=O)(=O)c2cc(C(N)=O)cs2)C1 ZINC000823770587 758267016 /nfs/dbraw/zinc/26/70/16/758267016.db2.gz DRGFWVQSTLKGHN-SECBINFHSA-N 0 0 303.409 0.220 50 0 DCAARN COC[C@@H]1CCCN1S(=O)(=O)NCC1(COC)CCC1 ZINC000824370997 758770553 /nfs/dbraw/zinc/77/05/53/758770553.db2.gz IYAGTKGCXGZOMJ-LBPRGKRZSA-N 0 0 306.428 0.748 50 0 DCAARN COCC1CCN(S(=O)(=O)N2CCN(C)[C@@H](C)C2)CC1 ZINC000824372075 758771938 /nfs/dbraw/zinc/77/19/38/758771938.db2.gz FBFOLROYTVJBSQ-LBPRGKRZSA-N 0 0 305.444 0.226 50 0 DCAARN CO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)N1CCC(C)(C)CC1 ZINC000824504684 758777919 /nfs/dbraw/zinc/77/79/19/758777919.db2.gz BAZJRBNFDVMNRS-RYUDHWBXSA-N 0 0 305.444 0.272 50 0 DCAARN Cc1nnc(CN2CCC[C@H](CNC(=O)c3ccon3)C2)[nH]1 ZINC000825261912 758801082 /nfs/dbraw/zinc/80/10/82/758801082.db2.gz ZAOGWEHPOWWSLC-LLVKDONJSA-N 0 0 304.354 0.743 50 0 DCAARN O=S(=O)(N[C@H]1COC[C@@H]1N1CCCC1)N1CCCCCC1 ZINC000828388830 759001581 /nfs/dbraw/zinc/00/15/81/759001581.db2.gz NKBIAWCXWRNYOS-KBPBESRZSA-N 0 0 317.455 0.560 50 0 DCAARN NC(=O)Cc1nc([C@H](O)c2ccccc2Cl)n(CCO)n1 ZINC000828777014 759094186 /nfs/dbraw/zinc/09/41/86/759094186.db2.gz REPDKBSDPSIPEH-GFCCVEGCSA-N 0 0 310.741 0.033 50 0 DCAARN O=C(NCc1nncn1C1CCCCC1)c1c[nH]c(=O)cn1 ZINC000828930825 759124996 /nfs/dbraw/zinc/12/49/96/759124996.db2.gz LHFCSFZJUKHSIR-UHFFFAOYSA-N 0 0 302.338 0.797 50 0 DCAARN Cc1cc(C(=O)N2CC[C@H](CC(=O)N3CCOCC3)C2)nn1C ZINC000575198507 759422102 /nfs/dbraw/zinc/42/21/02/759422102.db2.gz QLIBGOOGFWQTDQ-CYBMUJFWSA-N 0 0 320.393 0.440 50 0 DCAARN CC(C)C(=O)N1CC[C@H](CO)[C@H](NC(=O)c2cccnc2)C1 ZINC000581799364 760250682 /nfs/dbraw/zinc/25/06/82/760250682.db2.gz SJMZEAFECRICOX-ZIAGYGMSSA-N 0 0 305.378 0.677 50 0 DCAARN COCCC(=O)N1CCc2c(c(-c3nncn3C)nn2C)C1 ZINC000581791078 760252102 /nfs/dbraw/zinc/25/21/02/760252102.db2.gz QSYNKCDFQJAIBT-UHFFFAOYSA-N 0 0 304.354 0.137 50 0 DCAARN O=C(c1cn(C2CN(C(=O)[C@@H]3CCCO3)C2)nn1)N1CCCC1 ZINC000581810598 760255240 /nfs/dbraw/zinc/25/52/40/760255240.db2.gz CYGZVACQBXEUCX-ZDUSSCGKSA-N 0 0 319.365 0.076 50 0 DCAARN CN(Cc1cnc2ccccc2c1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000585115957 766284847 /nfs/dbraw/zinc/28/48/47/766284847.db2.gz BJVXZNHKOCROBN-HUUCEWRRSA-N 0 0 306.387 0.825 50 0 DCAARN COC(=O)C[C@@H]1CCCN1C(=O)CCN1C(=O)C(C)=C(C)C1=O ZINC000585129511 766290802 /nfs/dbraw/zinc/29/08/02/766290802.db2.gz MDRVXKBGYGZXKW-LBPRGKRZSA-N 0 0 322.361 0.636 50 0 DCAARN CCC1(CC)[C@@H](NC(=O)CCCS(N)(=O)=O)C[C@@H]1OC ZINC000585135665 766292756 /nfs/dbraw/zinc/29/27/56/766292756.db2.gz VGOZGJRUGUXJSP-QWRGUYRKSA-N 0 0 306.428 0.765 50 0 DCAARN Cc1cccc2nc(CNC(=O)NCC3N=NC(=O)N3C)cn21 ZINC000585137516 766293831 /nfs/dbraw/zinc/29/38/31/766293831.db2.gz CODLFOVKWBLVCN-UHFFFAOYSA-N 0 0 315.337 0.476 50 0 DCAARN Cn1nccc1C(=O)NC[C@H]1CCCN(c2cnsn2)C1 ZINC000952862234 768922696 /nfs/dbraw/zinc/92/26/96/768922696.db2.gz NRADGQZIQKDBLY-SNVBAGLBSA-N 0 0 306.395 0.918 50 0 DCAARN CCN([C@H](C)CCO)S(=O)(=O)c1cc(C(N)=O)cs1 ZINC000952871833 768933386 /nfs/dbraw/zinc/93/33/86/768933386.db2.gz DLKNXEYXTUCEJB-MRVPVSSYSA-N 0 0 306.409 0.629 50 0 DCAARN CN(C)c1ccccc1NC(=O)NCCn1ccc(=O)[nH]c1=O ZINC000952883538 768952023 /nfs/dbraw/zinc/95/20/23/768952023.db2.gz NHQWWTPBQIKAQN-UHFFFAOYSA-N 0 0 317.349 0.837 50 0 DCAARN CCC[C@H]1COC[C@H]2CN(C(=O)c3cccc(N)n3)CCN21 ZINC001529101980 1014494325 /nfs/dbraw/zinc/49/43/25/1014494325.db2.gz SQCZRPQOCYNHII-QWHCGFSZSA-N 0 0 304.394 0.989 50 0 DCAARN O=C(NCCCO)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 ZINC001529098380 1014494366 /nfs/dbraw/zinc/49/43/66/1014494366.db2.gz CNXOZDHFBGGTCZ-CABCVRRESA-N 0 0 319.361 0.011 50 0 DCAARN O=C(CN1CCOC1=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 ZINC001529113703 1014499085 /nfs/dbraw/zinc/49/90/85/1014499085.db2.gz IABBASAGXUNQBR-UKRRQHHQSA-N 0 0 320.345 0.400 50 0 DCAARN Cc1nc(N2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)sc1C ZINC001529159188 1014509229 /nfs/dbraw/zinc/50/92/29/1014509229.db2.gz QGNUICRGBXMPNP-QWRGUYRKSA-N 0 0 319.452 0.448 50 0 DCAARN OC1CCN(c2cc(NCCSc3c[nH]nn3)ncn2)CC1 ZINC001529187454 1014517286 /nfs/dbraw/zinc/51/72/86/1014517286.db2.gz SQGMXCJWMVTRJY-UHFFFAOYSA-N 0 0 321.410 0.760 50 0 DCAARN NC(=O)C1(Nc2nccc(N3CC[C@H](O)C3)n2)CCCCC1 ZINC001506396637 1017251992 /nfs/dbraw/zinc/25/19/92/1017251992.db2.gz VQQIVIXGULPIFU-NSHDSACASA-N 0 0 305.382 0.648 50 0 DCAARN CN(Cc1nc(-c2ccccn2)no1)C(=O)CCn1cnnc1 ZINC001506397992 1017253369 /nfs/dbraw/zinc/25/33/69/1017253369.db2.gz QWKFYSDVRCOBFV-UHFFFAOYSA-N 0 0 313.321 0.772 50 0 DCAARN CN(C(=O)c1sccc1Cl)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001506400423 1017254402 /nfs/dbraw/zinc/25/44/02/1017254402.db2.gz UWADUKSPYXBTFA-HTQZYQBOSA-N 0 0 309.796 0.631 50 0 DCAARN Cc1nn(C)cc1NC(=O)CN1CCC2(CNC(=O)O2)CC1 ZINC001506400328 1017256813 /nfs/dbraw/zinc/25/68/13/1017256813.db2.gz DRRKZMNBUWEHRV-UHFFFAOYSA-N 0 0 307.354 0.241 50 0 DCAARN COC[C@@H](c1ccccn1)N(C)C(=O)c1nc2ncccn2n1 ZINC001506408774 1017257785 /nfs/dbraw/zinc/25/77/85/1017257785.db2.gz XAFBNBAIGDKCQH-LBPRGKRZSA-N 0 0 312.333 0.979 50 0 DCAARN CNC(=O)[C@H]1CC[C@H](CNc2cc(NCCO)ncn2)CC1 ZINC001506418893 1017262481 /nfs/dbraw/zinc/26/24/81/1017262481.db2.gz KQYVLGMYWWUZGG-HAQNSBGRSA-N 0 0 307.398 0.845 50 0 DCAARN Cc1cc(=O)n(CCN2CCN(C3CCCC3)C(=O)C2)c(=O)[nH]1 ZINC001506419484 1017266931 /nfs/dbraw/zinc/26/69/31/1017266931.db2.gz CTROCAUGVGETTQ-UHFFFAOYSA-N 0 0 320.393 0.344 50 0 DCAARN CCc1nccn1CCC(=O)Nc1cnn(CC(=O)NC)c1 ZINC001506425517 1017269347 /nfs/dbraw/zinc/26/93/47/1017269347.db2.gz POLUICKNSHCADO-UHFFFAOYSA-N 0 0 304.354 0.417 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2cccnc2)n[nH]1 ZINC000074629693 185004393 /nfs/dbraw/zinc/00/43/93/185004393.db2.gz DFCLVIDIVBWEEG-SNVBAGLBSA-N 0 0 306.347 0.389 50 0 DCAARN O=C(CCCN1C(=O)c2ccncc2C1=O)Nc1nc[nH]n1 ZINC000095475445 185373236 /nfs/dbraw/zinc/37/32/36/185373236.db2.gz MXXWJJVHTBQZFW-UHFFFAOYSA-N 0 0 300.278 0.215 50 0 DCAARN O=C(Nc1cccnc1)[C@H]1CCCN(c2ccc3nnnn3n2)C1 ZINC000095479627 185373436 /nfs/dbraw/zinc/37/34/36/185373436.db2.gz AMIIIHUBNCOWTG-NSHDSACASA-N 0 0 324.348 0.769 50 0 DCAARN CC(=O)N1CCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000095483542 185373740 /nfs/dbraw/zinc/37/37/40/185373740.db2.gz GIFOHYWFILVJTR-CQSZACIVSA-N 0 0 301.346 0.483 50 0 DCAARN O=C(CN1CCOC1=O)N(Cc1cocn1)Cc1cocn1 ZINC000095499607 185374881 /nfs/dbraw/zinc/37/48/81/185374881.db2.gz XZPKTZBOCKGVAF-UHFFFAOYSA-N 0 0 306.278 0.644 50 0 DCAARN CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc[nH]c2=O)CN1C ZINC000095509271 185375789 /nfs/dbraw/zinc/37/57/89/185375789.db2.gz ZGYTVJJCBSYEPG-YPMHNXCESA-N 0 0 320.393 0.046 50 0 DCAARN O=C(NCCN1CCNC1=O)[C@@H]1CCOc2ccccc2C1 ZINC000095510092 185376302 /nfs/dbraw/zinc/37/63/02/185376302.db2.gz DQZAVIAEVJTDGV-CYBMUJFWSA-N 0 0 303.362 0.769 50 0 DCAARN Cn1cc(S(=O)(=O)NC[C@]2(O)CCc3ccccc32)cn1 ZINC000162213256 197553007 /nfs/dbraw/zinc/55/30/07/197553007.db2.gz IZGHFWHEJTUUQB-CQSZACIVSA-N 0 0 307.375 0.532 50 0 DCAARN COCc1cc(CNC(=O)c2cnc(C(C)(C)C)[nH]c2=O)[nH]n1 ZINC000082171030 185174303 /nfs/dbraw/zinc/17/43/03/185174303.db2.gz GEUGTGKDMAMMFH-UHFFFAOYSA-N 0 0 319.365 0.867 50 0 DCAARN Cn1cc(N2CC[C@H](N3C(=O)N4CCC[C@@]4(C)C3=O)C2)cn1 ZINC000328587100 231233256 /nfs/dbraw/zinc/23/32/56/231233256.db2.gz YEHNBFZJESWPTC-NHYWBVRUSA-N 0 0 303.366 0.816 50 0 DCAARN CN(C)c1ccc(O[C@H]2CCN(C(=O)c3ccno3)C2)nn1 ZINC000225442690 201710666 /nfs/dbraw/zinc/71/06/66/201710666.db2.gz DKDXGJKJHLCYKM-JTQLQIEISA-N 0 0 303.322 0.824 50 0 DCAARN C[C@@H](C(=O)Nc1c[nH]cc(Br)c1=O)n1cncn1 ZINC000089990572 185275210 /nfs/dbraw/zinc/27/52/10/185275210.db2.gz OVWRVBONQMBZRK-LURJTMIESA-N 0 0 312.127 0.929 50 0 DCAARN CS(=O)(=O)N1CCCn2nc(CNc3ncccn3)cc2C1 ZINC000082097774 192354486 /nfs/dbraw/zinc/35/44/86/192354486.db2.gz VHCMWLJTRZOLHC-UHFFFAOYSA-N 0 0 322.394 0.451 50 0 DCAARN C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)NC3CC3)cc2C1 ZINC000082099664 192357118 /nfs/dbraw/zinc/35/71/18/192357118.db2.gz NEISSYHWOIXJJE-NSHDSACASA-N 0 0 319.409 0.174 50 0 DCAARN C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)CNC(N)=O ZINC000082120473 192358124 /nfs/dbraw/zinc/35/81/24/192358124.db2.gz XFXBFQGYDPIWIB-SECBINFHSA-N 0 0 324.768 0.572 50 0 DCAARN COCCCNC(=O)CN(C)[C@H](C)C(=O)NCC(F)(F)F ZINC000096982288 185395196 /nfs/dbraw/zinc/39/51/96/185395196.db2.gz YETLLOLSOZYHEY-SECBINFHSA-N 0 0 313.320 0.138 50 0 DCAARN CC[C@H](C)[C@H](NC(=O)CSc1nnc(N)s1)C(=O)OC ZINC000008066755 190630249 /nfs/dbraw/zinc/63/02/49/190630249.db2.gz USOHNYXZPMRDRX-XPUUQOCRSA-N 0 0 318.424 0.916 50 0 DCAARN CCn1cnc2c(c1=O)CCN(C(=O)C1(COC)CCC1)C2 ZINC000286617095 219085258 /nfs/dbraw/zinc/08/52/58/219085258.db2.gz YMBHCNXIXOSPEI-UHFFFAOYSA-N 0 0 305.378 0.965 50 0 DCAARN CC(C)[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1NS(=O)(=O)N(C)C ZINC000095389584 185351246 /nfs/dbraw/zinc/35/12/46/185351246.db2.gz GVEAOLZFDJNMJW-NWDGAFQWSA-N 0 0 315.443 0.262 50 0 DCAARN CCC(=O)N1CCC[C@@H](C(=O)NCCn2nc(C)nc2C)C1 ZINC000095391587 185351492 /nfs/dbraw/zinc/35/14/92/185351492.db2.gz UNIJIWZVBQSEEZ-CYBMUJFWSA-N 0 0 307.398 0.660 50 0 DCAARN Cc1ccccc1OCC(=O)N1CCN([C@@H]2CCOC2=O)CC1 ZINC000095394259 185352152 /nfs/dbraw/zinc/35/21/52/185352152.db2.gz OPYOAGNSPOORDK-CQSZACIVSA-N 0 0 318.373 0.834 50 0 DCAARN O=S1(=O)C[C@H](NCc2cccnc2)[C@@H](N2CCCCC2)C1 ZINC000095397267 185353172 /nfs/dbraw/zinc/35/31/72/185353172.db2.gz PMZZPORAZFMCFH-GJZGRUSLSA-N 0 0 309.435 0.823 50 0 DCAARN O=C(Cn1cnnn1)Nc1cc(-c2c(F)cccc2F)n[nH]1 ZINC000095408854 185356865 /nfs/dbraw/zinc/35/68/65/185356865.db2.gz MNGXXCNYRBLZAQ-UHFFFAOYSA-N 0 0 305.248 0.980 50 0 DCAARN CN1CCN(C(C)(C)C(=O)NC[C@H](O)Cc2ccccc2)CC1 ZINC000095417026 185359378 /nfs/dbraw/zinc/35/93/78/185359378.db2.gz JYAQSWLZIWVMDD-MRXNPFEDSA-N 0 0 319.449 0.732 50 0 DCAARN COC(=O)N[C@@H](C)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000095445296 185367251 /nfs/dbraw/zinc/36/72/51/185367251.db2.gz JXDBNYLJJXVYOG-QMMMGPOBSA-N 0 0 306.322 0.560 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c(F)c1 ZINC000095455718 185370019 /nfs/dbraw/zinc/37/00/19/185370019.db2.gz QNPIYOXFSQNJLY-JTQLQIEISA-N 0 0 302.327 0.009 50 0 DCAARN CN(C)c1ncc(NC(=O)c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000390833967 529812253 /nfs/dbraw/zinc/81/22/53/529812253.db2.gz PKVLBRMHWNLTHH-UHFFFAOYSA-N 0 0 321.362 0.442 50 0 DCAARN Cc1ncsc1C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000041164605 190667225 /nfs/dbraw/zinc/66/72/25/190667225.db2.gz WPBDZTMUEVCYTQ-SNVBAGLBSA-N 0 0 317.436 0.853 50 0 DCAARN CNC(=O)[C@@H](C)CN(C)C(=O)Nc1cccnc1C(=O)OC ZINC000225738634 201740870 /nfs/dbraw/zinc/74/08/70/201740870.db2.gz CPRBPLTWYLXITD-VIFPVBQESA-N 0 0 308.338 0.714 50 0 DCAARN O=C(N[C@@H]1C[C@H](O)[C@H](CO)C1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000107287011 185474267 /nfs/dbraw/zinc/47/42/67/185474267.db2.gz OOKPCJYMMATMRP-ABHRYQDASA-N 0 0 318.373 0.288 50 0 DCAARN Cc1nnc2n1C[C@H](NC(=O)c1cnn(-c3ccccc3)n1)CC2 ZINC000065520142 282362767 /nfs/dbraw/zinc/36/27/67/282362767.db2.gz XXUSIILOIDFMPJ-GFCCVEGCSA-N 0 0 323.360 0.912 50 0 DCAARN O=C(Cn1cc(COc2ccc(F)cc2)nn1)N1CCOCC1 ZINC000227160114 201794492 /nfs/dbraw/zinc/79/44/92/201794492.db2.gz YDYHLXOSWBTGHH-UHFFFAOYSA-N 0 0 320.324 0.855 50 0 DCAARN O=C(CN1CCN(C[C@H](O)c2ccccc2)CC1)N1CCC1 ZINC000069666968 190804123 /nfs/dbraw/zinc/80/41/23/190804123.db2.gz PUKCSNGTVKKNMA-INIZCTEOSA-N 0 0 303.406 0.570 50 0 DCAARN COC(=O)[C@@H](C)N1CCN(C(=O)Cc2c(C)noc2C)CC1 ZINC000071186164 190938795 /nfs/dbraw/zinc/93/87/95/190938795.db2.gz GTFDMKWXNXTIBS-LLVKDONJSA-N 0 0 309.366 0.540 50 0 DCAARN COCc1nnc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)o1 ZINC000071707754 191011102 /nfs/dbraw/zinc/01/11/02/191011102.db2.gz UHVMNADOFDXVLU-NSHDSACASA-N 0 0 310.354 0.153 50 0 DCAARN Cn1cnc2cc(C(=O)N3C[C@@H]4C[C@H](O)[C@@H](O)C[C@@H]4C3)cnc21 ZINC000071721700 191014450 /nfs/dbraw/zinc/01/44/50/191014450.db2.gz YQUSZDMRWDVRKW-XCCSTKFXSA-N 0 0 316.361 0.172 50 0 DCAARN O=C(N[C@H](Cc1ccccc1)C(=O)NCCO)c1ccco1 ZINC000084525683 192436879 /nfs/dbraw/zinc/43/68/79/192436879.db2.gz QMEMKDVUZGZVGU-CYBMUJFWSA-N 0 0 302.330 0.729 50 0 DCAARN CNC(=O)c1noc(CN2CCC[C@H](N3CCCC3=O)C2)n1 ZINC000071738403 191019683 /nfs/dbraw/zinc/01/96/83/191019683.db2.gz VCWUZIFTHQTFDI-JTQLQIEISA-N 0 0 307.354 0.016 50 0 DCAARN CCC[C@@H]1COCCN1C(=O)c1cc2ncc(CCO)cn2n1 ZINC000071738419 191019703 /nfs/dbraw/zinc/01/97/03/191019703.db2.gz HQDCXSDFZGEWPW-CYBMUJFWSA-N 0 0 318.377 0.905 50 0 DCAARN CC1=NN(CC(=O)NCCn2ncc3ccccc3c2=O)CC1 ZINC000071754801 191025054 /nfs/dbraw/zinc/02/50/54/191025054.db2.gz BRNIYDQTVGTDBA-UHFFFAOYSA-N 0 0 313.361 0.594 50 0 DCAARN COC(=O)C[C@H](C)NC(=O)C1CCN(c2ncccn2)CC1 ZINC000071853836 191032722 /nfs/dbraw/zinc/03/27/22/191032722.db2.gz NVGZLGPCJVTYDN-NSHDSACASA-N 0 0 306.366 0.761 50 0 DCAARN CC[C@H](Oc1ccccc1)C(=O)N1CCCN(CC(N)=O)CC1 ZINC000071829409 191031569 /nfs/dbraw/zinc/03/15/69/191031569.db2.gz CHEPKUUOYVQDCI-HNNXBMFYSA-N 0 0 319.405 0.864 50 0 DCAARN Cc1cccc2nc(C(=O)N3CCC[C@](O)(CO)CC3)cn21 ZINC000072125439 191041943 /nfs/dbraw/zinc/04/19/43/191041943.db2.gz SRXUGYMUSBIVMX-MRXNPFEDSA-N 0 0 303.362 0.992 50 0 DCAARN CCc1nc(C)sc1C(=O)N1CCNC[C@H]1C(=O)NC1CC1 ZINC000072147467 191052677 /nfs/dbraw/zinc/05/26/77/191052677.db2.gz RWVRNQJEXBLBBX-LBPRGKRZSA-N 0 0 322.434 0.707 50 0 DCAARN O=C(CCOc1ccccc1)N1CCNC[C@@H]1C(=O)NC1CC1 ZINC000072150693 191055887 /nfs/dbraw/zinc/05/58/87/191055887.db2.gz AVHJBKNORPSOAO-OAHLLOKOSA-N 0 0 317.389 0.535 50 0 DCAARN CCNc1ncc(C(=O)N2CCc3c(nc[nH]c3=O)C2)cn1 ZINC000072154858 191060064 /nfs/dbraw/zinc/06/00/64/191060064.db2.gz CXVQENOUNGKDNQ-UHFFFAOYSA-N 0 0 300.322 0.190 50 0 DCAARN CCc1nc(N2CCN[C@H](C(=O)N3CCCC3)C2)ncc1C ZINC000072157808 191060546 /nfs/dbraw/zinc/06/05/46/191060546.db2.gz DVPOZIRLNYIKGP-AWEZNQCLSA-N 0 0 303.410 0.748 50 0 DCAARN CN1C[C@]2(CCCN(C(=O)CCCn3cncn3)CC2)OC1=O ZINC000072157148 191060565 /nfs/dbraw/zinc/06/05/65/191060565.db2.gz YDBNBQRNIAEKOR-OAHLLOKOSA-N 0 0 321.381 0.892 50 0 DCAARN Nc1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccc3[nH]cnc3c1)C2 ZINC000072161433 191062700 /nfs/dbraw/zinc/06/27/00/191062700.db2.gz FGLUKEDZUQHMGM-UHFFFAOYSA-N 0 0 310.317 0.427 50 0 DCAARN CN1C[C@@]2(CCN(C(=O)CCn3cc(Cl)cn3)C2)OC1=O ZINC000072167872 191067372 /nfs/dbraw/zinc/06/73/72/191067372.db2.gz BJJKPXQJTDWEIY-CYBMUJFWSA-N 0 0 312.757 0.980 50 0 DCAARN CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)cc1F ZINC000072168838 191068348 /nfs/dbraw/zinc/06/83/48/191068348.db2.gz MVPBSMGNBFNNHO-ZDUSSCGKSA-N 0 0 309.341 0.271 50 0 DCAARN CCN1CCN(C(=O)c2ccc(-c3nnnn3C)cc2)CC1 ZINC000072239335 191083282 /nfs/dbraw/zinc/08/32/82/191083282.db2.gz CSAFWSKIORVBHE-UHFFFAOYSA-N 0 0 300.366 0.655 50 0 DCAARN Cc1cc(C(=O)NCCNC(=O)c2csnc2C)nn1C ZINC000072243090 191086342 /nfs/dbraw/zinc/08/63/42/191086342.db2.gz JBRZLXOMIUQDGQ-UHFFFAOYSA-N 0 0 307.379 0.653 50 0 DCAARN CCCNC(=O)CCNc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000072276157 191098615 /nfs/dbraw/zinc/09/86/15/191098615.db2.gz HZQSMWUNFMTVHF-GFCCVEGCSA-N 0 0 307.398 0.766 50 0 DCAARN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)C(=O)OC)c1 ZINC000181935494 186220898 /nfs/dbraw/zinc/22/08/98/186220898.db2.gz XDGJPDBQEGYWDU-ZJUUUORDSA-N 0 0 300.380 0.807 50 0 DCAARN CN(Cc1c(Br)cnn1C)[C@H]1CCS(=O)(=O)C1 ZINC000225622784 186284627 /nfs/dbraw/zinc/28/46/27/186284627.db2.gz NVWXDLFYKDTHRV-QMMMGPOBSA-N 0 0 322.228 0.802 50 0 DCAARN COC(=O)[C@@H]1CC12CCN(C(=O)[C@@]1(C)CCC(=O)NC1)CC2 ZINC000253395511 186304917 /nfs/dbraw/zinc/30/49/17/186304917.db2.gz VWNFXHXBXOZECC-NHYWBVRUSA-N 0 0 308.378 0.704 50 0 DCAARN C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000072313340 191120249 /nfs/dbraw/zinc/12/02/49/191120249.db2.gz XFFRJBWLQGUSNV-UWVGGRQHSA-N 0 0 300.384 0.053 50 0 DCAARN NC(=O)CN1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072481034 191181463 /nfs/dbraw/zinc/18/14/63/191181463.db2.gz AKLORKQLNDPRMX-KRWDZBQOSA-N 0 0 316.405 0.772 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1cccnc1 ZINC000331843104 234187770 /nfs/dbraw/zinc/18/77/70/234187770.db2.gz BERGCQFRTOBPQQ-LBPRGKRZSA-N 0 0 300.318 0.708 50 0 DCAARN Cc1ccc([C@@](C)(O)CNC(=O)N[C@@H]2CCCCNC2=O)o1 ZINC000173909363 198267341 /nfs/dbraw/zinc/26/73/41/198267341.db2.gz ADXCAXGYVXZCTP-ABAIWWIYSA-N 0 0 309.366 0.763 50 0 DCAARN O=C(CSc1nc[nH]n1)OCN1C(=O)c2ccccc2C1=O ZINC000002490609 180927161 /nfs/dbraw/zinc/92/71/61/180927161.db2.gz PHRLOGFQXISOBS-UHFFFAOYSA-N 0 0 318.314 0.694 50 0 DCAARN [NH3+]CCCC[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-] ZINC000002508221 180928519 /nfs/dbraw/zinc/92/85/19/180928519.db2.gz VPCYMTNCRVUYFU-ZDUSSCGKSA-N 0 0 321.377 0.044 50 0 DCAARN CCn1c2ccccc2c(=O)n(CC(=O)NCCCOC)c1=O ZINC000002923222 180970754 /nfs/dbraw/zinc/97/07/54/180970754.db2.gz HXYRBAXTVIHZNV-UHFFFAOYSA-N 0 0 319.361 0.336 50 0 DCAARN CN(CC(=O)N1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000003327822 181005973 /nfs/dbraw/zinc/00/59/73/181005973.db2.gz NUCMTUBIMQUGAI-ZDUSSCGKSA-N 0 0 308.403 0.695 50 0 DCAARN COCc1noc(CN2CCN(Cc3nccn3C)CC2)n1 ZINC000182245538 199409251 /nfs/dbraw/zinc/40/92/51/199409251.db2.gz OCPJVHGTCXMAQJ-UHFFFAOYSA-N 0 0 306.370 0.267 50 0 DCAARN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NC(N)=O ZINC000003430971 181018776 /nfs/dbraw/zinc/01/87/76/181018776.db2.gz IGDOKNONJYOVDD-UHFFFAOYSA-N 0 0 301.686 0.283 50 0 DCAARN COC[C@@H](C)NC(=O)CSc1nnnn1-c1ccc(O)cc1 ZINC000003459003 181023022 /nfs/dbraw/zinc/02/30/22/181023022.db2.gz JLTFGJGMMFAWNV-SECBINFHSA-N 0 0 323.378 0.611 50 0 DCAARN CC(=O)Nc1nonc1NC(=O)CSc1nnc(N)s1 ZINC000003624361 181042065 /nfs/dbraw/zinc/04/20/65/181042065.db2.gz HNIGDWIGKGXYBS-UHFFFAOYSA-N 0 0 315.340 0.193 50 0 DCAARN CNC(=O)[C@H](C)NC(=O)CN1C[C@H](c2ccccc2)CC1=O ZINC000004017574 181063167 /nfs/dbraw/zinc/06/31/67/181063167.db2.gz GTMSYJWCQWBIOB-WCQYABFASA-N 0 0 303.362 0.253 50 0 DCAARN CC1=C(C(=O)OCC(C)C)[C@@]2(O)C(=O)c3ccccc3[C@]2(O)N1 ZINC000004157034 181079356 /nfs/dbraw/zinc/07/93/56/181079356.db2.gz KKSGPNXLNMLXTO-IAGOWNOFSA-N 0 0 317.341 0.836 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)cc1 ZINC000004279593 181091437 /nfs/dbraw/zinc/09/14/37/181091437.db2.gz PHTNQOBDVHKENQ-UHFFFAOYSA-N 0 0 311.407 0.983 50 0 DCAARN CCOc1ccccc1NC(=O)CN1CCN(CC)C(=O)C1=O ZINC000004326320 181098184 /nfs/dbraw/zinc/09/81/84/181098184.db2.gz RMTBEMZKBVHYCA-UHFFFAOYSA-N 0 0 319.361 0.715 50 0 DCAARN COC(=O)CCN1C(=O)CS[C@]12C(=O)Nc1ccccc12 ZINC000032594712 291024184 /nfs/dbraw/zinc/02/41/84/291024184.db2.gz GHNVAUCENZCURG-CQSZACIVSA-N 0 0 306.343 0.930 50 0 DCAARN CCc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004505444 181116908 /nfs/dbraw/zinc/11/69/08/181116908.db2.gz RCQQAAQOLLUDNV-NSHDSACASA-N 0 0 303.405 0.714 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2nnc(-c3ccccc3)n2)C[C@@H](C)O1 ZINC000004549410 181123305 /nfs/dbraw/zinc/12/33/05/181123305.db2.gz SDTJWUVJIYBNCG-VXGBXAGGSA-N 0 0 301.350 0.976 50 0 DCAARN COc1ccccc1O[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000004755858 181149011 /nfs/dbraw/zinc/14/90/11/181149011.db2.gz JPTZUPQZBMEEBB-MNOVXSKESA-N 0 0 313.375 0.766 50 0 DCAARN C[C@@H](Sc1nnnn1C)C(=O)NC(=O)NC1CCCCC1 ZINC000004807691 181153602 /nfs/dbraw/zinc/15/36/02/181153602.db2.gz HUAKNKWUUZIHAK-MRVPVSSYSA-N 0 0 312.399 0.849 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccccc3F)C(=O)[C@@]2(C)NN1 ZINC000004844460 181161888 /nfs/dbraw/zinc/16/18/88/181161888.db2.gz WFVRFFIRAMABOE-XPTSAGLGSA-N 0 0 305.265 0.206 50 0 DCAARN O=C(COC(=O)c1cnccn1)NCc1ccc2c(c1)OCO2 ZINC000004966357 181180584 /nfs/dbraw/zinc/18/05/84/181180584.db2.gz CQFDGZSYVZJCAL-UHFFFAOYSA-N 0 0 315.285 0.679 50 0 DCAARN CCc1nnc(-c2cc(S(=O)(=O)NCCOC)c[nH]2)o1 ZINC000075428049 191473012 /nfs/dbraw/zinc/47/30/12/191473012.db2.gz RZYNUSLOJIGXRT-UHFFFAOYSA-N 0 0 300.340 0.552 50 0 DCAARN O=C(Nc1cccc(N2CCCS2(=O)=O)c1)C(=O)NC1CC1 ZINC000005339707 181231918 /nfs/dbraw/zinc/23/19/18/181231918.db2.gz KKJCQSSVSXQAGC-UHFFFAOYSA-N 0 0 323.374 0.444 50 0 DCAARN C[C@@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)NC1CC1 ZINC000005534659 181254233 /nfs/dbraw/zinc/25/42/33/181254233.db2.gz WMIJMFZWJGLTDJ-SECBINFHSA-N 0 0 311.359 0.914 50 0 DCAARN O=C(Nc1ccc2c(c1)OCO2)N1CC[C@]2(CC(=O)NC2=O)C1 ZINC000082098209 295944279 /nfs/dbraw/zinc/94/42/79/295944279.db2.gz VMBYMQRCNWDYCV-HNNXBMFYSA-N 0 0 317.301 0.686 50 0 DCAARN CCN1C(=O)C(=O)N(CC(=O)N2CCc3ccccc32)C1=O ZINC000005878732 181292312 /nfs/dbraw/zinc/29/23/12/181292312.db2.gz ODKDAUDGQUIIDI-UHFFFAOYSA-N 0 0 301.302 0.386 50 0 DCAARN CC1(C)O[C@@H]2O[C@H]([C@@H](O)CNC(=O)c3ccccc3)[C@H](O)[C@@H]2O1 ZINC000005915169 181295625 /nfs/dbraw/zinc/29/56/25/181295625.db2.gz WLYZZWYBLUGTEJ-AIUMHDJVSA-N 0 0 323.345 0.015 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)[C@@H]3CCN(C)C(=O)C3)CCO2)[nH]1 ZINC000089289710 192759941 /nfs/dbraw/zinc/75/99/41/192759941.db2.gz FTKHPXJUPDRHAI-MNOVXSKESA-N 0 0 321.381 0.135 50 0 DCAARN CCCS(=O)(=O)N1CCCN(S(=O)(=O)CCC)CC1 ZINC000060029848 283438251 /nfs/dbraw/zinc/43/82/51/283438251.db2.gz UUSHKYXUNLAENH-UHFFFAOYSA-N 0 0 312.457 0.474 50 0 DCAARN OC[C@H]1O[C@H](Oc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000006118793 181313853 /nfs/dbraw/zinc/31/38/53/181313853.db2.gz MWHKPYATGMFFPI-LJIZCISZSA-N 0 0 306.314 0.019 50 0 in-vitro DCAARN COc1ccc(C2(C(=O)N3CCNC(=O)[C@@H]3CCO)CC2)cc1 ZINC000244626708 202484502 /nfs/dbraw/zinc/48/45/02/202484502.db2.gz FQYQQSLVQROVGL-AWEZNQCLSA-N 0 0 318.373 0.436 50 0 DCAARN Cc1noc2ncnc(NC[C@H]3CCC[C@]34NC(=O)NC4=O)c12 ZINC000192472938 200883959 /nfs/dbraw/zinc/88/39/59/200883959.db2.gz YEYZAJYHFFMLTA-CLAHSXSESA-N 0 0 316.321 0.716 50 0 DCAARN O=C(COC(=O)[C@H]1CCC(=O)N1)NC12CC3CC(CC(C3)C1)C2 ZINC000006303217 181327619 /nfs/dbraw/zinc/32/76/19/181327619.db2.gz GBFJNJYICDMZTR-CQCMJFKXSA-N 0 0 320.389 0.893 50 0 DCAARN CCn1c(CO)nnc1[C@H]1C[C@H](Nc2cncc(C(N)=O)n2)C1 ZINC000244707946 202489948 /nfs/dbraw/zinc/48/99/48/202489948.db2.gz KKQVERLJNSGSSM-KYZUINATSA-N 0 0 317.353 0.037 50 0 DCAARN Cn1cc(S(=O)(=O)NC[C@@H]2Cc3ccccc32)cc1C(N)=O ZINC000193981046 201155453 /nfs/dbraw/zinc/15/54/53/201155453.db2.gz MMJLJEAMGRYOMR-NSHDSACASA-N 0 0 319.386 0.742 50 0 DCAARN O=C(COC(=O)c1cnccn1)c1ccc2c(c1)NC(=O)CO2 ZINC000006486520 181345013 /nfs/dbraw/zinc/34/50/13/181345013.db2.gz SSWOGERJYCVPHZ-UHFFFAOYSA-N 0 0 313.269 0.847 50 0 DCAARN CCS(=O)(=O)NCCNC(=O)[C@H](C)C(=O)OC(C)(C)C ZINC000408521006 239271955 /nfs/dbraw/zinc/27/19/55/239271955.db2.gz FLDDNQTVWSTECV-VIFPVBQESA-N 0 0 308.400 0.020 50 0 DCAARN CS(C)(=O)=NC(=O)[C@@H]1CCCN1C[C@@H](O)C(F)(F)F ZINC000408523183 239272013 /nfs/dbraw/zinc/27/20/13/239272013.db2.gz HUUAVPBRRCGOAT-JGVFFNPUSA-N 0 0 302.318 0.628 50 0 DCAARN O=C1NCC[C@H]1Oc1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC000408525407 239273103 /nfs/dbraw/zinc/27/31/03/239273103.db2.gz IHUPZBSWLFADJF-CYBMUJFWSA-N 0 0 310.375 0.642 50 0 DCAARN CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CCC(=O)N1 ZINC000006509200 181347832 /nfs/dbraw/zinc/34/78/32/181347832.db2.gz DSWWIZQGZQZRFV-NSHDSACASA-N 0 0 306.318 0.846 50 0 DCAARN CNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000006681585 181370061 /nfs/dbraw/zinc/37/00/61/181370061.db2.gz XFOAJXYWXJFNNN-RKDXNWHRSA-N 0 0 318.420 0.906 50 0 DCAARN CCCCS(=O)(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000006743447 181381335 /nfs/dbraw/zinc/38/13/35/181381335.db2.gz MDDKJZUCEKGYJO-ZDUSSCGKSA-N 0 0 318.439 0.687 50 0 DCAARN O=C(COc1ccc(F)cc1F)N[C@@H]1C=CS(=O)(=O)C1 ZINC000091289536 193031485 /nfs/dbraw/zinc/03/14/85/193031485.db2.gz LLUFRAYHFQSTKH-SECBINFHSA-N 0 0 303.286 0.771 50 0 DCAARN Cc1ccc([C@H]2CN(CCS(C)(=O)=O)C[C@@H]2N(C)C)o1 ZINC000091289182 193031875 /nfs/dbraw/zinc/03/18/75/193031875.db2.gz FQKRKESPHSBYHD-STQMWFEESA-N 0 0 300.424 0.962 50 0 DCAARN CCC[C@@]1(CO)CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1 ZINC000091460300 193059058 /nfs/dbraw/zinc/05/90/58/193059058.db2.gz FCIRMEMFMZYFMP-MRXNPFEDSA-N 0 0 323.393 0.099 50 0 DCAARN CC(C)c1nc(CN(C)C(=O)CC[C@@H]2NC(=O)NC2=O)no1 ZINC000091535105 193070748 /nfs/dbraw/zinc/07/07/48/193070748.db2.gz KOECBMFJPKRNDO-QMMMGPOBSA-N 0 0 309.326 0.140 50 0 DCAARN CN(C)C(=O)c1cncc(N2CCC3(CC2)OCCC[C@H]3O)n1 ZINC000091574426 193074786 /nfs/dbraw/zinc/07/47/86/193074786.db2.gz DMSCGILYMDJIHD-CYBMUJFWSA-N 0 0 320.393 0.689 50 0 DCAARN Cc1[nH]ccc1C(=O)N1C[C@@H](CN2CCOCC2)C[C@H](CO)C1 ZINC000091616836 193079204 /nfs/dbraw/zinc/07/92/04/193079204.db2.gz XEIPMEKVPOVAOS-CABCVRRESA-N 0 0 321.421 0.726 50 0 DCAARN O=C1N(C2CCOCC2)CCC[C@@]12CCN(Cc1cn[nH]n1)C2 ZINC000091474910 193061464 /nfs/dbraw/zinc/06/14/64/193061464.db2.gz FSWWGPHVICYFAJ-INIZCTEOSA-N 0 0 319.409 0.798 50 0 DCAARN Nc1n[nH]c(CNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)n1 ZINC000091474678 193061719 /nfs/dbraw/zinc/06/17/19/193061719.db2.gz VZYQSSZHJYITIU-UHFFFAOYSA-N 0 0 301.285 0.846 50 0 DCAARN OC[C@H](O)Cn1cc(-c2ccc(Oc3ncccn3)cc2)nn1 ZINC000091503906 193065941 /nfs/dbraw/zinc/06/59/41/193065941.db2.gz ZDSCOPSDMGRNLF-GFCCVEGCSA-N 0 0 313.317 0.881 50 0 DCAARN COCC1(C(=O)N[C@H]2C[N@H+](CC(=O)[O-])C[C@@H]2C(C)C)CCC1 ZINC000091713387 193096429 /nfs/dbraw/zinc/09/64/29/193096429.db2.gz PQJZEJHJCMQZCH-OLZOCXBDSA-N 0 0 312.410 0.960 50 0 DCAARN O=C([O-])[C@@H]1CC(=O)NC12CC[NH+](CCCn1ccnc1)CC2 ZINC000091736748 193099711 /nfs/dbraw/zinc/09/97/11/193099711.db2.gz UCGPGTOUGVZBPA-LBPRGKRZSA-N 0 0 306.366 0.329 50 0 DCAARN O=C(NCCCn1cnnc1)[C@@H]1CCC(=O)N(C2CCCC2)C1 ZINC000091780340 193106730 /nfs/dbraw/zinc/10/67/30/193106730.db2.gz DRCLJTCADIMDNH-CYBMUJFWSA-N 0 0 319.409 0.966 50 0 DCAARN CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cccc(CO)n1)CC2 ZINC000091829435 193113592 /nfs/dbraw/zinc/11/35/92/193113592.db2.gz XRPDWNFTJMGZSQ-KGLIPLIRSA-N 0 0 306.362 0.576 50 0 DCAARN CN1CCC[C@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1=O ZINC000091985807 193135575 /nfs/dbraw/zinc/13/55/75/193135575.db2.gz SIQVTHWCSINXMY-MRXNPFEDSA-N 0 0 303.362 0.319 50 0 DCAARN O=C(Cn1cccnc1=O)N1CCC[C@](CO)(CC2CC2)C1 ZINC000091985979 193136251 /nfs/dbraw/zinc/13/62/51/193136251.db2.gz DPLWXDZRZOFDLY-INIZCTEOSA-N 0 0 305.378 0.645 50 0 DCAARN CNC(=O)c1ccc(CNC(=O)c2cc(C)c(C)[nH]c2=O)o1 ZINC000092046706 193147593 /nfs/dbraw/zinc/14/75/93/193147593.db2.gz TYUFUWNCLILZLR-UHFFFAOYSA-N 0 0 303.318 0.874 50 0 DCAARN COC(=O)Cn1c(=O)[nH]c2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000008739545 283888221 /nfs/dbraw/zinc/88/82/21/283888221.db2.gz XKDAQSJMRUIZSE-UHFFFAOYSA-N 0 0 324.358 0.776 50 0 DCAARN Nc1nc2c(c(C(=O)NCCCn3cncn3)n1)CCCC2 ZINC000222527064 201613309 /nfs/dbraw/zinc/61/33/09/201613309.db2.gz ABJSYJONFCQUBJ-UHFFFAOYSA-N 0 0 301.354 0.349 50 0 DCAARN NC(=O)C1(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)CC1 ZINC000222926753 201627206 /nfs/dbraw/zinc/62/72/06/201627206.db2.gz BHZARJRMZBDHJY-CHWSQXEVSA-N 0 0 319.361 0.137 50 0 DCAARN Cn1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)cn1 ZINC000223518293 201648413 /nfs/dbraw/zinc/64/84/13/201648413.db2.gz ZPJZINBUKLOIFQ-OLZOCXBDSA-N 0 0 322.390 0.981 50 0 DCAARN NS(=O)(=O)c1cc(C(=O)O[C@@H]2CCOC2=O)ccc1Cl ZINC000007161392 181443093 /nfs/dbraw/zinc/44/30/93/181443093.db2.gz ZUEZJJIFGDNXJK-MRVPVSSYSA-N 0 0 319.722 0.460 50 0 DCAARN C[C@@H](C(=O)N1CCOCC1)N1CCN(Cc2cccn2C)CC1 ZINC000093057640 193199186 /nfs/dbraw/zinc/19/91/86/193199186.db2.gz CGLMFGVWBGHPBB-HNNXBMFYSA-N 0 0 320.437 0.390 50 0 DCAARN Cc1noc(C)c1CNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000095955385 193458158 /nfs/dbraw/zinc/45/81/58/193458158.db2.gz QXJCSVGSPBEAMO-UHFFFAOYSA-N 0 0 315.376 0.930 50 0 DCAARN Cn1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CC=CCC2)c1 ZINC000095973248 193469060 /nfs/dbraw/zinc/46/90/60/193469060.db2.gz CJOIFQAULJTAFM-GFCCVEGCSA-N 0 0 311.407 0.776 50 0 DCAARN C[C@@H](Oc1ccc(OC(=O)Cc2ccn(C)n2)cc1)C(N)=O ZINC000096007360 193487617 /nfs/dbraw/zinc/48/76/17/193487617.db2.gz YULYWIOXIFSRKT-SNVBAGLBSA-N 0 0 303.318 0.821 50 0 DCAARN Cc1noc(-c2nn(C)c3c2CN(C(=O)[C@@H]2CCCO2)CC3)n1 ZINC000096124759 193546225 /nfs/dbraw/zinc/54/62/25/193546225.db2.gz WUGIQVKOIMDETN-LBPRGKRZSA-N 0 0 317.349 0.842 50 0 DCAARN c1nc(N2CCOCC2)ncc1-c1nc([C@@H]2CCOC2)no1 ZINC000096161943 193558264 /nfs/dbraw/zinc/55/82/64/193558264.db2.gz WQBIWVLJGJYKRA-SNVBAGLBSA-N 0 0 303.322 0.867 50 0 DCAARN C[C@]1(O)CCN(C(=O)c2ccccc2N2CCOCC2)C[C@@H]1O ZINC000096165466 193559431 /nfs/dbraw/zinc/55/94/31/193559431.db2.gz GNSOWLPYJOBLSP-RDJZCZTQSA-N 0 0 320.389 0.481 50 0 DCAARN O=C(N[C@H]1CC[C@H](n2cnnc2)CC1)c1cccc2nnnn21 ZINC000244718747 284223678 /nfs/dbraw/zinc/22/36/78/284223678.db2.gz LQECUIMQMSTBAP-XYPYZODXSA-N 0 0 312.337 0.630 50 0 DCAARN COc1ccc(NC(=O)CN(C)c2ccc3nnnn3n2)cc1 ZINC000008939897 181592252 /nfs/dbraw/zinc/59/22/52/181592252.db2.gz IDBWPOLDSDJZRU-UHFFFAOYSA-N 0 0 313.321 0.603 50 0 DCAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccccn1 ZINC000009337016 181615399 /nfs/dbraw/zinc/61/53/99/181615399.db2.gz LUYNHYVFOGQIAN-UHFFFAOYSA-N 0 0 302.334 0.767 50 0 DCAARN Cc1noc(C)c1CC(=O)OCc1nc(N)nc(N(C)C)n1 ZINC000011008529 181683549 /nfs/dbraw/zinc/68/35/49/181683549.db2.gz YXVUJLRLYRSKOE-UHFFFAOYSA-N 0 0 306.326 0.411 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCn2ncccc2=O)cc1C ZINC000011856340 181711977 /nfs/dbraw/zinc/71/19/77/181711977.db2.gz DAHWHDLAZAVPTQ-UHFFFAOYSA-N 0 0 307.375 0.839 50 0 DCAARN COc1ncnc2c1CN(CC(=O)Nc1nncs1)CC2 ZINC000097201837 193689649 /nfs/dbraw/zinc/68/96/49/193689649.db2.gz MBAOBRLXQZPSJO-UHFFFAOYSA-N 0 0 306.351 0.334 50 0 DCAARN O=S(=O)(NCC(F)(F)CO)c1cccc2c1OCCO2 ZINC000274259917 211465055 /nfs/dbraw/zinc/46/50/55/211465055.db2.gz KRKQUDYKMQSGPF-UHFFFAOYSA-N 0 0 309.290 0.364 50 0 DCAARN Nc1nonc1C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000015670954 182011222 /nfs/dbraw/zinc/01/12/22/182011222.db2.gz UAEZHRFBPAODMR-UHFFFAOYSA-N 0 0 319.296 0.389 50 0 DCAARN COCCNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000016649265 182056213 /nfs/dbraw/zinc/05/62/13/182056213.db2.gz PBJRHHFAMIAJRV-UHFFFAOYSA-N 0 0 316.379 0.078 50 0 DCAARN COc1ccc([C@@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)c(OC)c1 ZINC000016956836 182066636 /nfs/dbraw/zinc/06/66/36/182066636.db2.gz HFKLELCCWQFYNW-VIFPVBQESA-N 0 0 316.317 0.843 50 0 DCAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)NCc1ccco1 ZINC000017304861 182081960 /nfs/dbraw/zinc/08/19/60/182081960.db2.gz CZRORNRKKKOXIB-UHFFFAOYSA-N 0 0 319.342 0.635 50 0 DCAARN Cn1ccnc1C(=O)N1CCC[C@H](Cn2cc(CO)nn2)C1 ZINC000019742391 182142160 /nfs/dbraw/zinc/14/21/60/182142160.db2.gz NXCSPVKJTKWLPK-NSHDSACASA-N 0 0 304.354 0.056 50 0 DCAARN O[C@H](COC[C@H]1COc2ccccc2O1)CN1CCOCC1 ZINC000019770749 182144980 /nfs/dbraw/zinc/14/49/80/182144980.db2.gz RPEZPIZPVMBCDB-KBPBESRZSA-N 0 0 309.362 0.536 50 0 DCAARN CN(C)c1ccc(N2C(=O)C[C@@H](N3CCN(C)CC3)C2=O)cc1 ZINC000019881978 182159699 /nfs/dbraw/zinc/15/96/99/182159699.db2.gz SDAGICJVPIPTEO-OAHLLOKOSA-N 0 0 316.405 0.632 50 0 DCAARN Cc1cc(C(=O)N2CCN(CCn3cncn3)CC2)c(C)o1 ZINC000020118305 182189357 /nfs/dbraw/zinc/18/93/57/182189357.db2.gz QQKPVBABYJWAHR-UHFFFAOYSA-N 0 0 303.366 0.946 50 0 DCAARN Cc1ocnc1C(=O)NCC[C@H]1CCCCN1S(C)(=O)=O ZINC000097679975 193746298 /nfs/dbraw/zinc/74/62/98/193746298.db2.gz KKUHCGCJCCQWHL-LLVKDONJSA-N 0 0 315.395 0.917 50 0 DCAARN O=C(CCN1C(=O)c2ccccc2C1=O)CN1CCOCC1 ZINC000020365710 182211538 /nfs/dbraw/zinc/21/15/38/182211538.db2.gz RIKCVZBXWKCKPA-UHFFFAOYSA-N 0 0 302.330 0.574 50 0 DCAARN CN(C)S(=O)(=O)CCNC(=O)c1ccc2ncsc2c1 ZINC000097675362 193745381 /nfs/dbraw/zinc/74/53/81/193745381.db2.gz DNMKHZUBOSBUBM-UHFFFAOYSA-N 0 0 313.404 0.918 50 0 DCAARN Cc1cc(=O)n2nc(CC(=O)N(C)C3CC[NH+](C)CC3)[n-]c2n1 ZINC000020622498 182239859 /nfs/dbraw/zinc/23/98/59/182239859.db2.gz STVOFJIHPYQGLV-UHFFFAOYSA-N 0 0 318.381 0.233 50 0 DCAARN O=C(NCCN1CCOCC1)c1nc(-c2ccncc2)no1 ZINC000020677943 182243072 /nfs/dbraw/zinc/24/30/72/182243072.db2.gz GSPNTVABKVMSIV-UHFFFAOYSA-N 0 0 303.322 0.194 50 0 DCAARN O=C(NCCCN1CCOCC1)c1nc(-c2ccncc2)no1 ZINC000020676591 182243158 /nfs/dbraw/zinc/24/31/58/182243158.db2.gz BKHNVDRMTFJGND-UHFFFAOYSA-N 0 0 317.349 0.584 50 0 DCAARN COCCNC(=O)CNC(=O)Cn1ccc2cc(OC)ccc21 ZINC000020745091 182245668 /nfs/dbraw/zinc/24/56/68/182245668.db2.gz MDVLIBYBDIICQV-UHFFFAOYSA-N 0 0 319.361 0.529 50 0 DCAARN NC(=O)CN1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000020766541 182246511 /nfs/dbraw/zinc/24/65/11/182246511.db2.gz MYUMLXBFBLEEGN-UHFFFAOYSA-N 0 0 310.785 0.381 50 0 DCAARN O=C(C1CCOCC1)N1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000020777647 182246916 /nfs/dbraw/zinc/24/69/16/182246916.db2.gz WWWPLGDBEZBPQM-HNNXBMFYSA-N 0 0 302.374 0.983 50 0 DCAARN CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000020939068 182256022 /nfs/dbraw/zinc/25/60/22/182256022.db2.gz SJRYLVZAMOWKNN-FMSGJZPZSA-N 0 0 300.399 0.800 50 0 DCAARN CC(C)(C)C(=O)CSc1nnc(Cn2ccc(=O)[nH]c2=O)o1 ZINC000021704311 182283991 /nfs/dbraw/zinc/28/39/91/182283991.db2.gz QIIQHLDZDWAKBK-UHFFFAOYSA-N 0 0 324.362 0.675 50 0 DCAARN CN1C2=NCCN2c2ccc(NC(=O)c3cnccn3)cc2C1=O ZINC000021883698 182296389 /nfs/dbraw/zinc/29/63/89/182296389.db2.gz GXTLPICOQNDIQY-UHFFFAOYSA-N 0 0 322.328 0.991 50 0 DCAARN Cc1cccc(CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 ZINC000022090870 182308472 /nfs/dbraw/zinc/30/84/72/182308472.db2.gz PLUDNYGWQNDGBG-JKSUJKDBSA-N 0 0 324.446 0.271 50 0 DCAARN COC(=O)c1ccc2c(c1)C[C@H](CNC(=O)COC(C)=O)O2 ZINC000022314661 182316886 /nfs/dbraw/zinc/31/68/86/182316886.db2.gz WFWRTMMRZLPUPD-GFCCVEGCSA-N 0 0 307.302 0.456 50 0 DCAARN COCCn1nc(C(=O)Nc2ccc(N(C)C)nc2)ccc1=O ZINC000022327174 182318487 /nfs/dbraw/zinc/31/84/87/182318487.db2.gz VLSJHBVDBMVTHH-UHFFFAOYSA-N 0 0 317.349 0.603 50 0 DCAARN COc1ccc(Cl)cc1-n1ccn(CC(N)=O)c(=O)c1=O ZINC000022724981 182331737 /nfs/dbraw/zinc/33/17/37/182331737.db2.gz MNOGMYBYVVOVBH-UHFFFAOYSA-N 0 0 309.709 0.147 50 0 DCAARN NC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000022728484 182331950 /nfs/dbraw/zinc/33/19/50/182331950.db2.gz YYJYBDALELZVOA-ZWNOBZJWSA-N 0 0 319.336 0.655 50 0 DCAARN CC(=O)N(C)CCCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000022471526 182322727 /nfs/dbraw/zinc/32/27/27/182322727.db2.gz NUPKXOBVQZBYSF-UHFFFAOYSA-N 0 0 302.334 0.521 50 0 DCAARN CCONC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000022874233 182338301 /nfs/dbraw/zinc/33/83/01/182338301.db2.gz TWQRFPLTYTZIOB-SNVBAGLBSA-N 0 0 306.318 0.878 50 0 DCAARN O=C(Nc1nc[nH]n1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000023142266 182350840 /nfs/dbraw/zinc/35/08/40/182350840.db2.gz LEOTYNIPZIABQM-UHFFFAOYSA-N 0 0 307.335 0.498 50 0 DCAARN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ncn[nH]1 ZINC000023143251 182351597 /nfs/dbraw/zinc/35/15/97/182351597.db2.gz AFVPMSTVJUWUKX-CYBMUJFWSA-N 0 0 301.350 0.549 50 0 DCAARN COC(=O)C(C)(C)NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000023152592 182351974 /nfs/dbraw/zinc/35/19/74/182351974.db2.gz OWDOZVXUVDPBAM-UHFFFAOYSA-N 0 0 304.302 0.350 50 0 DCAARN O=C(CCN1C(=O)CCC1=O)Nc1cccnc1-n1cccn1 ZINC000023170943 182351985 /nfs/dbraw/zinc/35/19/85/182351985.db2.gz OUGPHOAGQLZJQN-UHFFFAOYSA-N 0 0 313.317 0.745 50 0 DCAARN CC(=O)N1CCCN(C(=O)CNC(=O)c2ccc(C)cc2)CC1 ZINC000023241485 182353848 /nfs/dbraw/zinc/35/38/48/182353848.db2.gz ONBNVCPPXJSTON-UHFFFAOYSA-N 0 0 317.389 0.806 50 0 DCAARN Cc1noc(C)c1CCC(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000023055333 182346349 /nfs/dbraw/zinc/34/63/49/182346349.db2.gz XGKSXWNBANRLTM-UHFFFAOYSA-N 0 0 320.349 0.425 50 0 DCAARN CCNC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O ZINC000023348367 182357698 /nfs/dbraw/zinc/35/76/98/182357698.db2.gz KDAIJNQCMBZOHH-UHFFFAOYSA-N 0 0 309.351 0.252 50 0 DCAARN CC(=O)c1cccc(OC[C@@H](O)CN2CCN(C(C)=O)CC2)c1 ZINC000023386746 182359368 /nfs/dbraw/zinc/35/93/68/182359368.db2.gz WSMNQHTYEBZHSZ-INIZCTEOSA-N 0 0 320.389 0.793 50 0 DCAARN C[C@@H](O)c1cn(CC2CCN(C(=O)Cn3cccn3)CC2)nn1 ZINC000023543669 182363305 /nfs/dbraw/zinc/36/33/05/182363305.db2.gz DRQZDVBDRJDSBW-GFCCVEGCSA-N 0 0 318.381 0.467 50 0 DCAARN O=C(CN1CCSC1=O)NCCc1nnc2ccccn21 ZINC000024153661 182375538 /nfs/dbraw/zinc/37/55/38/182375538.db2.gz VYATZMGCGBDFIR-UHFFFAOYSA-N 0 0 305.363 0.557 50 0 DCAARN O=C(c1ccoc1)N1CCC(Nc2ccc3nnnn3n2)CC1 ZINC000024207192 182376284 /nfs/dbraw/zinc/37/62/84/182376284.db2.gz HKRLAPKNYPGMEL-UHFFFAOYSA-N 0 0 313.321 0.829 50 0 DCAARN Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1=O ZINC000024030078 182373091 /nfs/dbraw/zinc/37/30/91/182373091.db2.gz HBDRTRKOOMDTEH-UHFFFAOYSA-N 0 0 322.365 0.473 50 0 DCAARN CN(CC(=O)Nc1ccccc1Cl)[C@H]1CC(=O)N(C)C1=O ZINC000024756281 182390092 /nfs/dbraw/zinc/39/00/92/182390092.db2.gz JBJNCQCIRVIUGT-NSHDSACASA-N 0 0 309.753 0.968 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)Cn1nnc2ccccc2c1=O ZINC000024478335 182381702 /nfs/dbraw/zinc/38/17/02/182381702.db2.gz VRDBEFDVEBEERJ-UHFFFAOYSA-N 0 0 312.333 0.184 50 0 DCAARN NS(=O)(=O)c1ccc(CCNC(=O)C2CCOCC2)cc1 ZINC000024636123 182385821 /nfs/dbraw/zinc/38/58/21/182385821.db2.gz OPUFFXVPXYYFJD-UHFFFAOYSA-N 0 0 312.391 0.419 50 0 DCAARN C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1 ZINC000024647675 182385886 /nfs/dbraw/zinc/38/58/86/182385886.db2.gz YXBCPQWPHYWMAX-NSHDSACASA-N 0 0 311.407 0.779 50 0 DCAARN NS(=O)(=O)N1CCC(C(=O)NC(C2CC2)C2CC2)CC1 ZINC000024654362 182385973 /nfs/dbraw/zinc/38/59/73/182385973.db2.gz PDTNEEKMAPTAEU-UHFFFAOYSA-N 0 0 301.412 0.207 50 0 DCAARN COc1ccc(OC[C@H](O)CN2C(=O)[C@@H]3CCCN3C2=O)cc1 ZINC000024719723 182388916 /nfs/dbraw/zinc/38/89/16/182388916.db2.gz MWDWDGIFPDJWSM-RISCZKNCSA-N 0 0 320.345 0.862 50 0 DCAARN NC(=O)N1CCC[C@H](C(=O)Nc2cccnc2-n2cccn2)C1 ZINC000025010876 182398897 /nfs/dbraw/zinc/39/88/97/182398897.db2.gz TWCWOWHMCNWRSG-NSHDSACASA-N 0 0 314.349 0.997 50 0 DCAARN CCNC(=O)NC(=O)[C@H](C)Sc1nnnn1CC(C)C ZINC000024838220 182393064 /nfs/dbraw/zinc/39/30/64/182393064.db2.gz LIQLWRLVOXPJGZ-QMMMGPOBSA-N 0 0 300.388 0.655 50 0 DCAARN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OCC(N)=O)cc1 ZINC000024977940 182396714 /nfs/dbraw/zinc/39/67/14/182396714.db2.gz ZQTQJPGNLJRESL-SECBINFHSA-N 0 0 314.363 0.406 50 0 DCAARN COCC(=O)NCCNS(=O)(=O)c1cc(C)ccc1C ZINC000025727087 182420881 /nfs/dbraw/zinc/42/08/81/182420881.db2.gz AWUWKNWVGINOQK-UHFFFAOYSA-N 0 0 300.380 0.344 50 0 DCAARN O=c1[nH]c2ccc(S(=O)(=O)NCC3CCCC3)cc2[nH]c1=O ZINC000026847483 182455657 /nfs/dbraw/zinc/45/56/57/182455657.db2.gz HULAKQGAXNRSAY-UHFFFAOYSA-N 0 0 323.374 0.685 50 0 DCAARN C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)[C@H]1CCCO1 ZINC000027888610 182495984 /nfs/dbraw/zinc/49/59/84/182495984.db2.gz KGFYLJJNARQADR-CMPLNLGQSA-N 0 0 304.412 0.342 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(=O)n(C[C@H]2CCCCO2)c1 ZINC000029876024 182578946 /nfs/dbraw/zinc/57/89/46/182578946.db2.gz VLWDBIJZSQHJON-LLVKDONJSA-N 0 0 300.380 0.668 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(=O)n(C[C@@H]2CCCCO2)c1 ZINC000029876022 182578998 /nfs/dbraw/zinc/57/89/98/182578998.db2.gz VLWDBIJZSQHJON-NSHDSACASA-N 0 0 300.380 0.668 50 0 DCAARN CC(=O)N1CCN(C(=O)c2cnn(C)c2-n2cccc2)CC1 ZINC000030810051 182598594 /nfs/dbraw/zinc/59/85/94/182598594.db2.gz ZAUSZLOIGFOYMO-UHFFFAOYSA-N 0 0 301.350 0.515 50 0 DCAARN Cn1c2[nH]c(=S)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000100608514 193801368 /nfs/dbraw/zinc/80/13/68/193801368.db2.gz OOQHKGLUNAGTNB-UHFFFAOYSA-N 0 0 320.349 0.910 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000032770958 182661781 /nfs/dbraw/zinc/66/17/81/182661781.db2.gz UOLLYFFPMWVIBR-UHFFFAOYSA-N 0 0 300.355 0.980 50 0 DCAARN Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000032611034 182650213 /nfs/dbraw/zinc/65/02/13/182650213.db2.gz YKOHKCHBJDXNQU-ZCFIWIBFSA-N 0 0 311.285 0.356 50 0 DCAARN O=C(NCCCn1ncccc1=O)[C@H]1COc2ccccc2O1 ZINC000038517287 183000812 /nfs/dbraw/zinc/00/08/12/183000812.db2.gz JMASMJHPQHAUJY-CQSZACIVSA-N 0 0 315.329 0.590 50 0 DCAARN CNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000040476273 183075230 /nfs/dbraw/zinc/07/52/30/183075230.db2.gz FZGPJVUUXOPAGD-UHFFFAOYSA-N 0 0 317.798 0.986 50 0 DCAARN NC(=O)CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O ZINC000040485440 183077322 /nfs/dbraw/zinc/07/73/22/183077322.db2.gz FNQFCOOJYNYBIS-UHFFFAOYSA-N 0 0 301.281 0.597 50 0 DCAARN CCCCNC(=O)CN1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000040489925 183079924 /nfs/dbraw/zinc/07/99/24/183079924.db2.gz CLAOSMSGRGLKGU-LBPRGKRZSA-N 0 0 309.414 0.973 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2ccnc2)nc1 ZINC000040493499 183080250 /nfs/dbraw/zinc/08/02/50/183080250.db2.gz DISRJJWKLBKDCH-LLVKDONJSA-N 0 0 306.347 0.184 50 0 DCAARN Cc1ccc(CNC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 ZINC000040497583 183081735 /nfs/dbraw/zinc/08/17/35/183081735.db2.gz UGJMQLUAZGQAKM-UHFFFAOYSA-N 0 0 311.407 0.527 50 0 DCAARN CCOc1ccc(NCC(=O)OC)cc1S(=O)(=O)N(C)C ZINC000040497215 183082148 /nfs/dbraw/zinc/08/21/48/183082148.db2.gz QZWSTBQITDPZPA-UHFFFAOYSA-N 0 0 316.379 0.921 50 0 DCAARN CC(=O)N1CCN(C(=O)c2cnn3c2nc(C)cc3C)CC1 ZINC000040498121 183082916 /nfs/dbraw/zinc/08/29/16/183082916.db2.gz SLLHMHBMVIPPLJ-UHFFFAOYSA-N 0 0 301.350 0.650 50 0 DCAARN C[C@H]1CN(S(=O)(=O)NCCCn2cccn2)C[C@H](C)O1 ZINC000040504544 183084789 /nfs/dbraw/zinc/08/47/89/183084789.db2.gz BCDGYVTYYTWZGJ-RYUDHWBXSA-N 0 0 302.400 0.217 50 0 DCAARN CC(C)NC(=O)CN1CCCN(CC(=O)NC2CCCC2)CC1 ZINC000040511273 183087018 /nfs/dbraw/zinc/08/70/18/183087018.db2.gz WQDLKPPALIVBCO-UHFFFAOYSA-N 0 0 324.469 0.578 50 0 DCAARN COc1cccc(-n2nnc(C(=O)N3CCNC(=O)C3)c2C)c1 ZINC000040514007 183088591 /nfs/dbraw/zinc/08/85/91/183088591.db2.gz CORLLJYRSWODBT-UHFFFAOYSA-N 0 0 315.333 0.156 50 0 DCAARN Cn1cc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000040528017 183093495 /nfs/dbraw/zinc/09/34/95/183093495.db2.gz JOGMRGBHJOEKIP-AWEZNQCLSA-N 0 0 320.418 0.973 50 0 DCAARN Cc1ccccc1[C@H](C)NC(=O)CS(=O)(=O)c1nncn1C ZINC000040539978 183097126 /nfs/dbraw/zinc/09/71/26/183097126.db2.gz FVBORLUPUDVUTP-NSHDSACASA-N 0 0 322.390 0.775 50 0 DCAARN C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCOCC1 ZINC000041248347 183181417 /nfs/dbraw/zinc/18/14/17/183181417.db2.gz HNZWHDCYYQGJJX-LBPRGKRZSA-N 0 0 312.391 0.353 50 0 DCAARN COc1cc(CCC(=O)N2CC[C@H](C(N)=O)C2)cc(OC)c1 ZINC000041128711 183169751 /nfs/dbraw/zinc/16/97/51/183169751.db2.gz KXIZHVHEYAZEHE-LBPRGKRZSA-N 0 0 306.362 0.970 50 0 DCAARN CCS(=O)(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000041398566 183189264 /nfs/dbraw/zinc/18/92/64/183189264.db2.gz DQULUEVFDMWCBW-UHFFFAOYSA-N 0 0 314.382 0.862 50 0 DCAARN O=C(NCCCn1cncn1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000041865124 183223079 /nfs/dbraw/zinc/22/30/79/183223079.db2.gz NGFZNJIMTVRUPN-ZDUSSCGKSA-N 0 0 313.361 0.838 50 0 DCAARN COc1ccccc1CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000041593107 183208020 /nfs/dbraw/zinc/20/80/20/183208020.db2.gz MJVSIFUKPCGITM-NSHDSACASA-N 0 0 305.334 0.342 50 0 DCAARN NC(=O)C(NC(=O)NCCc1cccc2ccccc21)C(N)=O ZINC000042345365 183256774 /nfs/dbraw/zinc/25/67/74/183256774.db2.gz QCTDNBJTUSPMRH-UHFFFAOYSA-N 0 0 314.345 0.021 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000042384427 183262250 /nfs/dbraw/zinc/26/22/50/183262250.db2.gz QOTCFFAKSIKPCP-VIFPVBQESA-N 0 0 308.381 0.004 50 0 DCAARN O=C(Cc1noc2ccccc21)NC[C@H]1CCS(=O)(=O)C1 ZINC000042383728 183262738 /nfs/dbraw/zinc/26/27/38/183262738.db2.gz KWHAIMCEJHPTGV-SNVBAGLBSA-N 0 0 308.359 0.921 50 0 DCAARN Cc1nnc(NC(=O)NC2CCN(S(C)(=O)=O)CC2)s1 ZINC000043407484 183359035 /nfs/dbraw/zinc/35/90/35/183359035.db2.gz HBBZMYWPSRSEDD-UHFFFAOYSA-N 0 0 319.412 0.392 50 0 DCAARN CCn1cc(NC(=O)NC2CCN(CC(=O)NC)CC2)cn1 ZINC000043644732 183376628 /nfs/dbraw/zinc/37/66/28/183376628.db2.gz JRZXSENHMXTYGZ-UHFFFAOYSA-N 0 0 308.386 0.235 50 0 DCAARN CC(=O)OCCOC(=O)c1c(C)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000044122898 183395883 /nfs/dbraw/zinc/39/58/83/183395883.db2.gz REHHYMFFNRINLL-UHFFFAOYSA-N 0 0 306.274 0.135 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1cc(=O)[nH]c2ccccc21 ZINC000044717842 183434885 /nfs/dbraw/zinc/43/48/85/183434885.db2.gz NOLONNLVPLDKEJ-SNVBAGLBSA-N 0 0 320.370 0.693 50 0 DCAARN O=C(NCCOc1ccccc1)C(=O)Nc1c[nH]ccc1=O ZINC000044902898 183453235 /nfs/dbraw/zinc/45/32/35/183453235.db2.gz YBHFDOIKPYSFOU-UHFFFAOYSA-N 0 0 301.302 0.509 50 0 DCAARN CO[C@@H]1C[C@@H](CO)N(C(=O)CN(C)C(=O)c2cccs2)C1 ZINC000284771127 218170094 /nfs/dbraw/zinc/17/00/94/218170094.db2.gz HQYWVNKCLYWPKV-WDEREUQCSA-N 0 0 312.391 0.428 50 0 DCAARN O=C([O-])c1n[nH]cc1CN1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000215063155 304216462 /nfs/dbraw/zinc/21/64/62/304216462.db2.gz QFNQMPTYEHDLCE-ZDUSSCGKSA-N 0 0 308.382 0.795 50 0 DCAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)cc1C(N)=O ZINC000106054237 194182863 /nfs/dbraw/zinc/18/28/63/194182863.db2.gz PGBWVYJNHGTPSH-GHMZBOCLSA-N 0 0 312.391 0.892 50 0 DCAARN C[C@H](CNC(=O)Cn1ccccc1=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000106056168 194182920 /nfs/dbraw/zinc/18/29/20/194182920.db2.gz BGYWMPQCKDNNIW-MGPQQGTHSA-N 0 0 307.394 0.462 50 0 DCAARN CN1CCN2CCN(Cc3nc4c(s3)CCCC4)C[C@H]2C1=O ZINC000106263401 194192887 /nfs/dbraw/zinc/19/28/87/194192887.db2.gz JQHSAPXOEWWIKA-ZDUSSCGKSA-N 0 0 320.462 0.980 50 0 DCAARN Cc1cccc(-c2noc(CN3C[C@H](O)C[C@H]3C(N)=O)n2)c1 ZINC000106585388 194234615 /nfs/dbraw/zinc/23/46/15/194234615.db2.gz HFLORROLUAKDEX-NEPJUHHUSA-N 0 0 302.334 0.466 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cnsn1 ZINC000053027785 183883816 /nfs/dbraw/zinc/88/38/16/183883816.db2.gz FWLHRAZJXRUYJO-QMMMGPOBSA-N 0 0 304.397 0.082 50 0 DCAARN C[C@@H](CNC(=O)CCNC(=O)c1ccccc1F)n1cncn1 ZINC000055358938 183981783 /nfs/dbraw/zinc/98/17/83/183981783.db2.gz RSSBNERWWYXYCT-NSHDSACASA-N 0 0 319.340 0.915 50 0 DCAARN CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CCO[C@H](C)C2)cc1 ZINC000056656705 184017240 /nfs/dbraw/zinc/01/72/40/184017240.db2.gz SDYRAOOWMBEILU-VVEJJEBESA-N 0 0 324.402 0.855 50 0 DCAARN C[C@@H]1CN(C(=O)CNc2cccc(S(C)(=O)=O)c2)CCO1 ZINC000056395199 184011853 /nfs/dbraw/zinc/01/18/53/184011853.db2.gz GVKNLUZVHWJGAC-LLVKDONJSA-N 0 0 312.391 0.749 50 0 DCAARN COc1cccc(N2C[C@H](C(=O)NC(C)(C)C(N)=O)CC2=O)c1 ZINC000057051005 184025982 /nfs/dbraw/zinc/02/59/82/184025982.db2.gz UUKZRJZVDZQTRT-SNVBAGLBSA-N 0 0 319.361 0.428 50 0 DCAARN CCCCNC(=O)c1cc(OCC(=O)N2CCOCC2)n(C)n1 ZINC000057312474 184033015 /nfs/dbraw/zinc/03/30/15/184033015.db2.gz ZBTVCNNTXCHKFB-UHFFFAOYSA-N 0 0 324.381 0.188 50 0 DCAARN NC(=O)CN1CCN(C(=O)c2ccc(OCC3CC3)cc2)CC1 ZINC000056968300 184022735 /nfs/dbraw/zinc/02/27/35/184022735.db2.gz FEBJMPQPERVATD-UHFFFAOYSA-N 0 0 317.389 0.719 50 0 DCAARN CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCc3ccccc32)nn1 ZINC000056970911 184023021 /nfs/dbraw/zinc/02/30/21/184023021.db2.gz SJPLBDKZAPKOFH-CYBMUJFWSA-N 0 0 313.361 0.784 50 0 DCAARN Cc1nn(CC(=O)N[C@@H]2CCC(=O)NC2)c(=O)c2ccccc12 ZINC000058161888 184082769 /nfs/dbraw/zinc/08/27/69/184082769.db2.gz JOCXHNOAQQMRTO-LLVKDONJSA-N 0 0 314.345 0.100 50 0 DCAARN CCOCCOc1ccc(S(=O)(=O)N[C@H](C)C(N)=O)cc1 ZINC000058203175 184087742 /nfs/dbraw/zinc/08/77/42/184087742.db2.gz TUMVMZYVMLWLEG-SNVBAGLBSA-N 0 0 316.379 0.254 50 0 DCAARN C[C@@H](NC(=O)COc1ccccc1F)C(=O)N1CCOCC1 ZINC000058357243 184108565 /nfs/dbraw/zinc/10/85/65/184108565.db2.gz PQLXOVKMQHQFAY-LLVKDONJSA-N 0 0 310.325 0.568 50 0 DCAARN COC(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000058379838 184110705 /nfs/dbraw/zinc/11/07/05/184110705.db2.gz BQPDNQKODHZRLM-CHWSQXEVSA-N 0 0 313.398 0.884 50 0 DCAARN CCOC(=O)CN(C)C(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000058246413 184094437 /nfs/dbraw/zinc/09/44/37/184094437.db2.gz KWWABVPTVNLKHD-UHFFFAOYSA-N 0 0 319.317 0.525 50 0 DCAARN COC(=O)Cc1nnn(CC(=O)NCc2ccc(Cl)cc2)n1 ZINC000058247371 184094776 /nfs/dbraw/zinc/09/47/76/184094776.db2.gz OEUCWWREQBAXGP-UHFFFAOYSA-N 0 0 323.740 0.358 50 0 DCAARN COC(=O)Cc1nnn(CC(=O)Nc2ccc(Cl)cc2)n1 ZINC000058283078 184099716 /nfs/dbraw/zinc/09/97/16/184099716.db2.gz NRJZCMLTDIUYEB-UHFFFAOYSA-N 0 0 309.713 0.681 50 0 DCAARN COc1cccc(CNC(=O)CN2CSCC2=O)c1OC ZINC000058688816 184126663 /nfs/dbraw/zinc/12/66/63/184126663.db2.gz RYMNZAFRGGJRKW-UHFFFAOYSA-N 0 0 310.375 0.853 50 0 DCAARN COc1cccc(CC(=O)N2CCN([C@H](C)C(N)=O)CC2)c1 ZINC000058394256 184112463 /nfs/dbraw/zinc/11/24/63/184112463.db2.gz GSGDDPPVBKVUJU-GFCCVEGCSA-N 0 0 305.378 0.256 50 0 DCAARN COC(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)C2CC2)cc1 ZINC000062021785 184201583 /nfs/dbraw/zinc/20/15/83/184201583.db2.gz RXVIUWGSJHUVTP-INIZCTEOSA-N 0 0 320.345 0.689 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1CCOc1ccc(F)cc1 ZINC000063999980 184291559 /nfs/dbraw/zinc/29/15/59/184291559.db2.gz OFEUKNZUFMMHHX-CYBMUJFWSA-N 0 0 310.325 0.568 50 0 DCAARN Cn1c2c(ccn2CC(=O)Nc2cccnc2)c(=O)n(C)c1=O ZINC000065030988 184308936 /nfs/dbraw/zinc/30/89/36/184308936.db2.gz AFWZOMCVVIEAON-UHFFFAOYSA-N 0 0 313.317 0.072 50 0 DCAARN CN(C)c1cc(O[C@H]2CCN(S(=O)(=O)C3CC3)C2)ncn1 ZINC000065269369 184320025 /nfs/dbraw/zinc/32/00/25/184320025.db2.gz HIUHIBGXBPBBQU-JTQLQIEISA-N 0 0 312.395 0.488 50 0 DCAARN O=C(NCCCN1CCOCC1)[C@H]1CC(=O)Nc2ccccc21 ZINC000065417517 184341387 /nfs/dbraw/zinc/34/13/87/184341387.db2.gz DZZHHXWYRMKTEP-AWEZNQCLSA-N 0 0 317.389 0.951 50 0 DCAARN CN(CCCc1nccn1C)c1nccc(N2CC[C@H](O)C2)n1 ZINC000065430566 184344071 /nfs/dbraw/zinc/34/40/71/184344071.db2.gz GIXBLQUMIOKYON-ZDUSSCGKSA-N 0 0 316.409 0.850 50 0 DCAARN CCc1cnc(C)nc1N1C[C@H](O)[C@@H](N2CCN(C)CC2)C1 ZINC000065460798 184349003 /nfs/dbraw/zinc/34/90/03/184349003.db2.gz VVISKFUWBGZDRE-GJZGRUSLSA-N 0 0 305.426 0.144 50 0 DCAARN O=C(N[C@@H]1CCc2nccn2C1)c1cccc(-n2cnnn2)c1 ZINC000065463271 184349294 /nfs/dbraw/zinc/34/92/94/184349294.db2.gz LJIGJZPKESCZAM-GFCCVEGCSA-N 0 0 309.333 0.604 50 0 DCAARN CC(C)CCO[C@H](C)C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000065466906 184350150 /nfs/dbraw/zinc/35/01/50/184350150.db2.gz PIDYCGXKIYPCEH-LLVKDONJSA-N 0 0 311.382 0.638 50 0 DCAARN CCCc1nc(CN2CC(=O)N3CC[C@@H](O)C[C@H]3C2=O)cs1 ZINC000065395425 184335419 /nfs/dbraw/zinc/33/54/19/184335419.db2.gz YBIWICNCAQYKRL-NEPJUHHUSA-N 0 0 323.418 0.790 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](NC(=O)c2c(C)nc3sccn32)CN1C ZINC000065398853 184336720 /nfs/dbraw/zinc/33/67/20/184336720.db2.gz ZQTLEFQPZCXTLN-ZJUUUORDSA-N 0 0 322.390 0.680 50 0 DCAARN Cc1cccc(OCCN(C)C(=O)CC[C@@H]2NC(=O)NC2=O)c1 ZINC000065550899 184364494 /nfs/dbraw/zinc/36/44/94/184364494.db2.gz AYTCSETUBAWCTC-ZDUSSCGKSA-N 0 0 319.361 0.820 50 0 DCAARN CCN(CC)S(=O)(=O)N(C)CC(=O)Nc1ccc(C)cn1 ZINC000065550585 184364621 /nfs/dbraw/zinc/36/46/21/184364621.db2.gz BUIXEVTVMAGHRI-UHFFFAOYSA-N 0 0 314.411 0.847 50 0 DCAARN O=C1[C@@H]2CCCN2C(=O)N1C[C@H](O)COCc1ccccc1 ZINC000065552824 184364713 /nfs/dbraw/zinc/36/47/13/184364713.db2.gz XGUGTMWPAWUBFT-KBPBESRZSA-N 0 0 304.346 0.991 50 0 DCAARN Cc1c(Cl)cccc1NC(=O)CN1C[C@@H](O)C[C@@H]1C(N)=O ZINC000065606261 184371621 /nfs/dbraw/zinc/37/16/21/184371621.db2.gz URPOOMMUFZIEAC-JOYOIKCWSA-N 0 0 311.769 0.507 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000065501021 184355807 /nfs/dbraw/zinc/35/58/07/184355807.db2.gz NMBMVNHSCQBWLO-CHWSQXEVSA-N 0 0 319.336 0.957 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1(c2ccccc2F)CC1 ZINC000065507717 184356621 /nfs/dbraw/zinc/35/66/21/184356621.db2.gz AMBYAEZMRCFVEY-MFKMUULPSA-N 0 0 307.321 0.992 50 0 DCAARN CNC(=O)C(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C ZINC000065613957 184374530 /nfs/dbraw/zinc/37/45/30/184374530.db2.gz PPNODSHJUMTJIC-UHFFFAOYSA-N 0 0 321.402 0.869 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)CS(=O)(=O)Cc1ccccc1 ZINC000066151402 184392843 /nfs/dbraw/zinc/39/28/43/184392843.db2.gz AYCGSGKUHWAGOI-UHFFFAOYSA-N 0 0 321.402 0.994 50 0 DCAARN CN(C)S(=O)(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000069326571 184507342 /nfs/dbraw/zinc/50/73/42/184507342.db2.gz RRLPZOFLXJVYPP-JTQLQIEISA-N 0 0 305.350 0.940 50 0 DCAARN COC(=O)[C@@H]1CN(C(=O)[C@H](O)c2ccccc2Cl)CCO1 ZINC000408513730 532981477 /nfs/dbraw/zinc/98/14/77/532981477.db2.gz VEUXHNNDYKZTHS-NWDGAFQWSA-N 0 0 313.737 0.774 50 0 DCAARN O=Cc1c(=O)n2ccccc2nc1N1CCC2(CC1)OCCO2 ZINC000000532597 285029928 /nfs/dbraw/zinc/02/99/28/285029928.db2.gz CDRNEASQBFJLAH-UHFFFAOYSA-N 0 0 315.329 0.850 50 0 DCAARN O=c1c2nnn(-c3ccccc3)c2ncn1C[C@@H]1COCCO1 ZINC000329227366 285215613 /nfs/dbraw/zinc/21/56/13/285215613.db2.gz BDQWPPNMSYUASP-GFCCVEGCSA-N 0 0 313.317 0.393 50 0 DCAARN O=C(NCCN1CCOCC1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000021351255 256529846 /nfs/dbraw/zinc/52/98/46/256529846.db2.gz MUSYIWXAQQIUCY-ZDUSSCGKSA-N 0 0 309.410 0.226 50 0 DCAARN CC[C@@H](O)Cn1nc(CC(N)=O)nc1Cc1sc(C)nc1C ZINC000096180149 256554714 /nfs/dbraw/zinc/55/47/14/256554714.db2.gz JNMOTQASDNJLID-SNVBAGLBSA-N 0 0 323.422 0.741 50 0 DCAARN CNC(=O)c1cc(NC(=O)CCn2cnnn2)ccc1Cl ZINC000524733328 257214190 /nfs/dbraw/zinc/21/41/90/257214190.db2.gz IAAFMMNXVKBOIN-UHFFFAOYSA-N 0 0 308.729 0.715 50 0 DCAARN COc1cncc(O[C@@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)n1 ZINC000225500009 257214917 /nfs/dbraw/zinc/21/49/17/257214917.db2.gz RECMMEVHCMYMCI-VXGBXAGGSA-N 0 0 307.350 0.892 50 0 DCAARN CN(CCCNC(=O)CN1CCN(C)C1=O)c1ccccc1 ZINC000426726930 257243289 /nfs/dbraw/zinc/24/32/89/257243289.db2.gz SIYCERNRIGDULO-UHFFFAOYSA-N 0 0 304.394 0.997 50 0 DCAARN O=C([C@@H]1COC(=O)N1)N1CCC(OCc2cccnc2)CC1 ZINC000426640404 257245521 /nfs/dbraw/zinc/24/55/21/257245521.db2.gz OUXGLBTXSMQXND-ZDUSSCGKSA-N 0 0 305.334 0.698 50 0 DCAARN COCCn1cnnc1[C@@H](C)NC(=O)c1cccn(C)c1=O ZINC000426563119 257246010 /nfs/dbraw/zinc/24/60/10/257246010.db2.gz SECQQFDCNMQKSH-SNVBAGLBSA-N 0 0 305.338 0.114 50 0 DCAARN Cc1nn(C)c(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)c1Cl ZINC000426578579 257246338 /nfs/dbraw/zinc/24/63/38/257246338.db2.gz KPOFITYNDOTMFG-QWRGUYRKSA-N 0 0 312.801 0.975 50 0 DCAARN CN1C[C@@]2(CCN(C(=O)NCc3cccs3)C2)OCC1=O ZINC000426550683 257246664 /nfs/dbraw/zinc/24/66/64/257246664.db2.gz VBYZUZDYOGDXSH-CQSZACIVSA-N 0 0 309.391 0.891 50 0 DCAARN CC1(C)SC[C@@H](C(=O)NCCCOc2cccnc2)NC1=O ZINC000426547609 257246730 /nfs/dbraw/zinc/24/67/30/257246730.db2.gz KPDFOLOQLPEVNA-LBPRGKRZSA-N 0 0 323.418 0.977 50 0 DCAARN CCC(=O)N1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000426535460 257247173 /nfs/dbraw/zinc/24/71/73/257247173.db2.gz LAUKVUASFXQQIH-ZDUSSCGKSA-N 0 0 321.425 0.763 50 0 DCAARN O=C([C@H]1CCS(=O)(=O)C1)N1CCc2[nH]nc(C3CC3)c2C1 ZINC000426555884 257247214 /nfs/dbraw/zinc/24/72/14/257247214.db2.gz JVKZWIMJWLLBQW-JTQLQIEISA-N 0 0 309.391 0.607 50 0 DCAARN CCN1CCN(C(=O)c2nnc3nc(C)ccn32)[C@H](C)C1=O ZINC000426536262 257247274 /nfs/dbraw/zinc/24/72/74/257247274.db2.gz JERIVBKWBMNWPN-SNVBAGLBSA-N 0 0 302.338 0.126 50 0 DCAARN COCCOC1CCN(C(=O)c2cn(C)c(C)cc2=O)CC1 ZINC000426535090 257247565 /nfs/dbraw/zinc/24/75/65/257247565.db2.gz HQVKJBJNDCAEJC-UHFFFAOYSA-N 0 0 308.378 0.961 50 0 DCAARN Cc1cc2nc(CNC(=O)N3CC[C@@](O)(CO)C3)[nH]c2cc1C ZINC000426518944 257247776 /nfs/dbraw/zinc/24/77/76/257247776.db2.gz JTTSRMYJEAQWNN-INIZCTEOSA-N 0 0 318.377 0.818 50 0 DCAARN NS(=O)(=O)C[C@H]1CCN(C(=O)Cc2nc3ccccc3[nH]2)C1 ZINC000426484391 257249168 /nfs/dbraw/zinc/24/91/68/257249168.db2.gz DJRTWTUNFWDCGR-JTQLQIEISA-N 0 0 322.390 0.242 50 0 DCAARN CN1C(=O)COc2ccc(C(=O)NCCn3cncn3)cc21 ZINC000426477268 257249383 /nfs/dbraw/zinc/24/93/83/257249383.db2.gz SZCAZAZKWQETQK-UHFFFAOYSA-N 0 0 301.306 0.063 50 0 DCAARN CS(=O)(=O)NCCC(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000426420574 257250122 /nfs/dbraw/zinc/25/01/22/257250122.db2.gz JPSVLAWFBPLDHM-CYBMUJFWSA-N 0 0 312.391 0.606 50 0 DCAARN Cc1noc(CN(C)C(=O)Cn2cnc3ccsc3c2=O)n1 ZINC000426433629 257250127 /nfs/dbraw/zinc/25/01/27/257250127.db2.gz JYLGLAQWCCSQOS-UHFFFAOYSA-N 0 0 319.346 0.808 50 0 DCAARN Cc1cc(=O)cc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)n1C ZINC000426428059 257250383 /nfs/dbraw/zinc/25/03/83/257250383.db2.gz OAOFBIMSWRKUTI-ZFWWWQNUSA-N 0 0 305.378 0.287 50 0 DCAARN CN1CCc2n[nH]c(C(=O)NCCCOc3cccnc3)c2C1 ZINC000426403555 257251940 /nfs/dbraw/zinc/25/19/40/257251940.db2.gz QXAFPYAOTBYYFS-UHFFFAOYSA-N 0 0 315.377 0.992 50 0 DCAARN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(C)C[C@@H]1C ZINC000089522511 257271583 /nfs/dbraw/zinc/27/15/83/257271583.db2.gz OUECFEWHLIYQSW-VIFPVBQESA-N 0 0 317.397 0.028 50 0 DCAARN COC(=O)N[C@H](C(=O)N1CCN(C(=O)C(C)C)CC1)C(C)C ZINC000069631478 184830118 /nfs/dbraw/zinc/83/01/18/184830118.db2.gz XAXKRGCXMYDTST-LBPRGKRZSA-N 0 0 313.398 0.694 50 0 DCAARN CO[C@]12CCN(C(=O)CCc3ccc(=O)[nH]n3)[C@H]1C[C@@H](O)CC2 ZINC000299776801 533381456 /nfs/dbraw/zinc/38/14/56/533381456.db2.gz HGOQBMBFTHCZCV-HEHGZKQESA-N 0 0 321.377 0.233 50 0 DCAARN Cc1noc([C@@H]2CN(c3ncnc(N)c3Cl)CCN2C)n1 ZINC000284405810 131078041 /nfs/dbraw/zinc/07/80/41/131078041.db2.gz BOUDXANEPHAJEL-QMMMGPOBSA-N 0 0 309.761 0.897 50 0 DCAARN CNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC000292472156 131653104 /nfs/dbraw/zinc/65/31/04/131653104.db2.gz BFICBCSKTKHMSG-JTQLQIEISA-N 0 0 308.338 0.464 50 0 DCAARN Cc1cc(N2CCN(C(=O)c3ccco3)CC2)c2nncn2n1 ZINC000004511278 134461306 /nfs/dbraw/zinc/46/13/06/134461306.db2.gz SELYXEZSWWHPAN-UHFFFAOYSA-N 0 0 312.333 0.988 50 0 DCAARN Cn1cnnc1SCC(=O)NC[C@H]1COc2ccccc2O1 ZINC000008249626 395684278 /nfs/dbraw/zinc/68/42/78/395684278.db2.gz GADRIEAAIHCJIF-JTQLQIEISA-N 0 0 320.374 0.863 50 0 DCAARN O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccn1 ZINC000008661719 395684742 /nfs/dbraw/zinc/68/47/42/395684742.db2.gz GSKKGBHPEJQEMF-UHFFFAOYSA-N 0 0 324.340 0.791 50 0 DCAARN C[C@H](Nc1ccc(F)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000008727280 395684898 /nfs/dbraw/zinc/68/48/98/395684898.db2.gz VKXJAOXKZKNCEN-QMMMGPOBSA-N 0 0 320.324 0.489 50 0 DCAARN Cc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@@H](C)O)C3)cc1 ZINC000008755436 395684930 /nfs/dbraw/zinc/68/49/30/395684930.db2.gz FXSFMYTXKXGGCT-QMTHXVAHSA-N 0 0 301.346 0.826 50 0 DCAARN CCCCNC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 ZINC000008780157 395684949 /nfs/dbraw/zinc/68/49/49/395684949.db2.gz NWFWRJBFRVBNCX-UHFFFAOYSA-N 0 0 311.407 0.613 50 0 DCAARN Cc1ccc(N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000008728643 395684959 /nfs/dbraw/zinc/68/49/59/395684959.db2.gz PTGFXDMOPALANX-SNVBAGLBSA-N 0 0 316.361 0.658 50 0 DCAARN Cc1ccc(CN2C[C@@H](C(=O)NN3CCOCC3)CC2=O)cc1 ZINC000008882044 395685064 /nfs/dbraw/zinc/68/50/64/395685064.db2.gz WWLJRHCBHONQGV-HNNXBMFYSA-N 0 0 317.389 0.707 50 0 DCAARN CCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000008889326 395685070 /nfs/dbraw/zinc/68/50/70/395685070.db2.gz MLFSWAMGPOEULT-MRXNPFEDSA-N 0 0 319.361 0.988 50 0 DCAARN O=C(CNc1nc(Cl)nc2nc[nH]c21)NC[C@@H]1CCCO1 ZINC000009481737 395685425 /nfs/dbraw/zinc/68/54/25/395685425.db2.gz QRGQJCYOHPXJDQ-ZETCQYMHSA-N 0 0 310.745 0.713 50 0 DCAARN C[C@@]1(NS(=O)(=O)c2cccc(F)c2)CCS(=O)(=O)C1 ZINC000009548710 395685468 /nfs/dbraw/zinc/68/54/68/395685468.db2.gz QYNMBYDJMLOSNS-LLVKDONJSA-N 0 0 307.368 0.681 50 0 DCAARN CCOC(=O)c1cnc(S[C@H]2CCCCNC2=O)nc1N ZINC000010269049 395686121 /nfs/dbraw/zinc/68/61/21/395686121.db2.gz QQJNKHYEIVCFGC-VIFPVBQESA-N 0 0 310.379 0.996 50 0 DCAARN C[C@H]1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CCO1 ZINC000011497678 395686641 /nfs/dbraw/zinc/68/66/41/395686641.db2.gz BRDGHHVSETXHOZ-NSHDSACASA-N 0 0 324.402 0.870 50 0 DCAARN COC(=O)CCC(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000011843209 395686830 /nfs/dbraw/zinc/68/68/30/395686830.db2.gz ZDNBGUFDHLRBCH-CYBMUJFWSA-N 0 0 322.336 0.996 50 0 DCAARN COc1ccc(OCC(=O)NCCn2ncccc2=O)cc1 ZINC000011856320 395686874 /nfs/dbraw/zinc/68/68/74/395686874.db2.gz SVFIJVCNUCAWMP-UHFFFAOYSA-N 0 0 303.318 0.447 50 0 DCAARN O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)N1CCOCC1 ZINC000012176700 395687234 /nfs/dbraw/zinc/68/72/34/395687234.db2.gz QVRMNGJAPFQFQV-UHFFFAOYSA-N 0 0 309.391 0.600 50 0 DCAARN Cc1cccc(CNC(=O)Cn2nnnc2CN(C)C(C)C)n1 ZINC000012319412 395687485 /nfs/dbraw/zinc/68/74/85/395687485.db2.gz IKLBPGDRHZVDFM-UHFFFAOYSA-N 0 0 317.397 0.533 50 0 DCAARN COCCN1CCC[C@]2(CCN(C(=O)c3cc(C)n[nH]3)C2)C1=O ZINC000012303293 395687538 /nfs/dbraw/zinc/68/75/38/395687538.db2.gz NWCUMQGDUZEWEH-MRXNPFEDSA-N 0 0 320.393 0.819 50 0 DCAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1cccnc1 ZINC000012563858 395687847 /nfs/dbraw/zinc/68/78/47/395687847.db2.gz XWMNGWXKSSBFSH-UHFFFAOYSA-N 0 0 302.334 0.562 50 0 DCAARN CC(C)/C=C/C(=O)N1CCC[C@@H](CNS(=O)(=O)N(C)C)C1 ZINC000012713253 395687933 /nfs/dbraw/zinc/68/79/33/395687933.db2.gz VAHAOMMYTLGHMH-GWJCSSMESA-N 0 0 317.455 0.833 50 0 DCAARN COCCN1C[C@H](C(=O)NCc2cnn(C(C)C)c2)CCC1=O ZINC000012713613 395688029 /nfs/dbraw/zinc/68/80/29/395688029.db2.gz TZNAEGYQIHWCAJ-CQSZACIVSA-N 0 0 322.409 0.965 50 0 DCAARN NC(=O)C(NC(=O)c1ccc(C2CCCCC2)cc1)C(N)=O ZINC000012901109 395688088 /nfs/dbraw/zinc/68/80/88/395688088.db2.gz QEGDFZRBQQSWSD-UHFFFAOYSA-N 0 0 303.362 0.803 50 0 DCAARN CNC(=O)C1CCN(Cn2ncc3ccccc3c2=O)CC1 ZINC000012888906 395688107 /nfs/dbraw/zinc/68/81/07/395688107.db2.gz BXKBGBURENNDBE-UHFFFAOYSA-N 0 0 300.362 0.812 50 0 DCAARN C[C@@]1(NC(=O)CCNC(=O)c2ccccc2)CCS(=O)(=O)C1 ZINC000012904924 395688223 /nfs/dbraw/zinc/68/82/23/395688223.db2.gz NWTHUMLKURGWTE-OAHLLOKOSA-N 0 0 324.402 0.500 50 0 DCAARN CCS(=O)(=O)N1C[C@H](C(=O)NC2CC2)Oc2ccccc21 ZINC000013677181 395688771 /nfs/dbraw/zinc/68/87/71/395688771.db2.gz BEQVTIGAGQHFGR-CYBMUJFWSA-N 0 0 310.375 0.882 50 0 DCAARN Cc1cc(NNS(=O)(=O)c2cccs2)n2ncnc2n1 ZINC000014017317 395688942 /nfs/dbraw/zinc/68/89/42/395688942.db2.gz AAUDBEOCTDKNOZ-UHFFFAOYSA-N 0 0 310.364 0.800 50 0 DCAARN O=C(C[C@@H]1N=C(N2CCOCC2)NC1=O)NCc1ccccc1 ZINC000013728626 395688970 /nfs/dbraw/zinc/68/89/70/395688970.db2.gz LODIWWLQSHJNMY-ZDUSSCGKSA-N 0 0 316.361 0.720 50 0 DCAARN CN(Cn1c(=S)nc2ncccn21)[C@H]1CCS(=O)(=O)C1 ZINC000014161915 395689203 /nfs/dbraw/zinc/68/92/03/395689203.db2.gz BIVZCRVUEIFEIP-VIFPVBQESA-N 0 0 313.408 0.337 50 0 DCAARN O=C(CCNC(=O)Nc1ccccc1)NCCN1CCOCC1 ZINC000014255493 395689425 /nfs/dbraw/zinc/68/94/25/395689425.db2.gz WGMOTXYZYOWJEU-UHFFFAOYSA-N 0 0 320.393 0.647 50 0 DCAARN CCCC[C@@H](NC(=O)CSc1nc(N)cc(=O)[nH]1)C(C)=O ZINC000015083524 395689764 /nfs/dbraw/zinc/68/97/64/395689764.db2.gz POIOGPLTAVFLAX-SECBINFHSA-N 0 0 312.395 0.708 50 0 DCAARN COc1cc(C(=O)N2CCOCC2)cc(OC)c1OCC(N)=O ZINC000015630300 395690136 /nfs/dbraw/zinc/69/01/36/395690136.db2.gz AGXCBWLAKPEFJC-UHFFFAOYSA-N 0 0 324.333 0.040 50 0 DCAARN COc1ccc(OC)c([C@@H]2C(C(N)=O)=C(C)N=C3N=CNN32)c1 ZINC000000071360 395679713 /nfs/dbraw/zinc/67/97/13/395679713.db2.gz NSPPDCBYVXOHBM-CYBMUJFWSA-N 0 0 315.333 0.722 50 0 DCAARN CCOC(=O)CSc1ncn(-c2nc(NC)nc(NC)n2)n1 ZINC000025495896 395693508 /nfs/dbraw/zinc/69/35/08/395693508.db2.gz RELZFQBLUVIOQN-UHFFFAOYSA-N 0 0 324.370 0.191 50 0 DCAARN CC[C@@]1(C)OC(=O)N(CCNC(=O)c2ccnn2C)[C@]1(C)O ZINC000000140304 395679976 /nfs/dbraw/zinc/67/99/76/395679976.db2.gz PMRRGRINOHJDSC-ZIAGYGMSSA-N 0 0 310.354 0.479 50 0 DCAARN COc1ccc(NC(=O)[C@H]2C=C([O-])NC(=[NH2+])S2)cc1OC ZINC000000185281 395679978 /nfs/dbraw/zinc/67/99/78/395679978.db2.gz QOAFYXKHXARZGZ-SNVBAGLBSA-N 0 0 309.347 0.989 50 0 DCAARN COC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O ZINC000000146929 395680006 /nfs/dbraw/zinc/68/00/06/395680006.db2.gz JDBTXQANEVAFJM-UHFFFAOYSA-N 0 0 303.336 0.886 50 0 DCAARN Cn1c2nc3n(c2c(=O)[nH]c1=O)C[C@H](COc1ccccc1)O3 ZINC000000362822 395680352 /nfs/dbraw/zinc/68/03/52/395680352.db2.gz CRWWYTQKUZLGEB-SNVBAGLBSA-N 0 0 314.301 0.263 50 0 DCAARN Cc1ccc(-n2c(=O)c3ccccc3n(CC(N)=O)c2=O)cc1 ZINC000000427307 395680396 /nfs/dbraw/zinc/68/03/96/395680396.db2.gz IEFXRPRDJCXXIC-UHFFFAOYSA-N 0 0 309.325 0.946 50 0 DCAARN COC(=O)CSc1nnc(CNC(=O)c2ccco2)n1C ZINC000000426939 395680456 /nfs/dbraw/zinc/68/04/56/395680456.db2.gz QPYMQZCLGVRLJR-UHFFFAOYSA-N 0 0 310.335 0.603 50 0 DCAARN O=C(Cn1cnc2nc3n(c2c1=O)CCC3)NCc1ccccc1 ZINC000000478638 395680480 /nfs/dbraw/zinc/68/04/80/395680480.db2.gz LURCSFJFVSQPEV-UHFFFAOYSA-N 0 0 323.356 0.856 50 0 DCAARN CNC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000000443729 395680497 /nfs/dbraw/zinc/68/04/97/395680497.db2.gz ODKIFFYQCJYUTH-UHFFFAOYSA-N 0 0 302.352 0.216 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3cccc(Cl)c3)C(=O)[C@]2(C)NN1 ZINC000000545671 395680507 /nfs/dbraw/zinc/68/05/07/395680507.db2.gz CWMNPKVIVXJWIM-YMTOWFKASA-N 0 0 321.720 0.720 50 0 DCAARN CCOC(=O)c1nn(-c2ccccc2F)c2nnc(C)c(=O)n12 ZINC000001016919 395680712 /nfs/dbraw/zinc/68/07/12/395680712.db2.gz PZWCMMPZGBMMGJ-UHFFFAOYSA-N 0 0 317.280 0.899 50 0 DCAARN COc1ccccc1N1CCN(c2[nH]c(=O)nnc2C)CC1 ZINC000001281164 395680769 /nfs/dbraw/zinc/68/07/69/395680769.db2.gz YLVSPDQDWOWERU-UHFFFAOYSA-N 0 0 301.350 0.809 50 0 DCAARN COc1ccc(S(=O)(=O)n2[nH]c(=O)c(CCO)c2C)cc1 ZINC000001393749 395680848 /nfs/dbraw/zinc/68/08/48/395680848.db2.gz PFCVLGLGZYJHKU-UHFFFAOYSA-N 0 0 312.347 0.265 50 0 DCAARN C[C@H](OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(N)=O ZINC000002647563 395681621 /nfs/dbraw/zinc/68/16/21/395681621.db2.gz ULHBGDPEZFQJMA-JTQLQIEISA-N 0 0 301.302 0.322 50 0 DCAARN CCn1ccc(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000002806952 395681865 /nfs/dbraw/zinc/68/18/65/395681865.db2.gz ZRERVDSDFNCKEL-LLVKDONJSA-N 0 0 314.411 0.191 50 0 DCAARN CCS(=O)(=O)N1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000002953365 395682007 /nfs/dbraw/zinc/68/20/07/395682007.db2.gz ODPYHWPALGXONQ-UHFFFAOYSA-N 0 0 320.455 0.979 50 0 DCAARN COCCNC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O ZINC000002992204 395682111 /nfs/dbraw/zinc/68/21/11/395682111.db2.gz WDTNLYQBARUYJP-LLVKDONJSA-N 0 0 300.380 0.604 50 0 DCAARN O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H]1CCCO1 ZINC000003072968 395682290 /nfs/dbraw/zinc/68/22/90/395682290.db2.gz HGRWRGLPUQFOJU-NSHDSACASA-N 0 0 306.318 0.327 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2cnc3cc(F)ccc3c2=O)CCO1 ZINC000029904319 395700419 /nfs/dbraw/zinc/70/04/19/395700419.db2.gz QATCJBAHQSHBDW-SNVBAGLBSA-N 0 0 305.309 0.783 50 0 DCAARN C[C@@H]1C[C@@H]1C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC000031423564 395706691 /nfs/dbraw/zinc/70/66/91/395706691.db2.gz NLGZLLYDURMZMI-YPMHNXCESA-N 0 0 303.362 0.191 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)c1ccccc1OCC(N)=O ZINC000031400132 395706741 /nfs/dbraw/zinc/70/67/41/395706741.db2.gz KUCRWMVWHMRLSU-NSHDSACASA-N 0 0 302.334 0.566 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000031612084 395707100 /nfs/dbraw/zinc/70/71/00/395707100.db2.gz BBCQQEKHJFNFQL-CMPLNLGQSA-N 0 0 315.778 0.947 50 0 DCAARN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)NC1CC1 ZINC000032090844 395708981 /nfs/dbraw/zinc/70/89/81/395708981.db2.gz JKMHLJZEWPQVCP-NWDGAFQWSA-N 0 0 315.373 0.823 50 0 DCAARN CCS(=O)(=O)NCCCN1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000089274464 395709516 /nfs/dbraw/zinc/70/95/16/395709516.db2.gz VZYAWGCKCJTFHR-STQMWFEESA-N 0 0 317.455 0.116 50 0 DCAARN CN(CC(=O)N1CCC[C@@H](c2cn[nH]c2)C1)S(C)(=O)=O ZINC000089335395 395709906 /nfs/dbraw/zinc/70/99/06/395709906.db2.gz ZJJVDCAQRJVZTN-SNVBAGLBSA-N 0 0 300.384 0.007 50 0 DCAARN Cc1cc(S(=O)(=O)N2CCNC(=O)C2)ccc1OC(C)C ZINC000032404362 395710653 /nfs/dbraw/zinc/71/06/53/395710653.db2.gz OSPDFVZUYVRZDW-UHFFFAOYSA-N 0 0 312.391 0.903 50 0 DCAARN COc1cc(CC(=O)O[C@H]2CNC(=O)C2)cc(OC)c1OC ZINC000089426530 395711698 /nfs/dbraw/zinc/71/16/98/395711698.db2.gz YGGCZBLBJHYLGH-SNVBAGLBSA-N 0 0 309.318 0.687 50 0 DCAARN C[C@H](Cn1cc(Cl)cn1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000032648211 395711911 /nfs/dbraw/zinc/71/19/11/395711911.db2.gz HDESSUVVRQEBFX-PSASIEDQSA-N 0 0 305.787 0.476 50 0 DCAARN COc1ccc(CC(=O)N2CCN(CCO)CC2)c(OC)c1 ZINC000032731692 395712645 /nfs/dbraw/zinc/71/26/45/395712645.db2.gz LAYHHQUCZRSPEC-UHFFFAOYSA-N 0 0 308.378 0.383 50 0 DCAARN CC(=O)Nc1cccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000032780640 395713218 /nfs/dbraw/zinc/71/32/18/395713218.db2.gz IXTIJDRPPCKREZ-CYBMUJFWSA-N 0 0 310.375 0.904 50 0 DCAARN CS(=O)(=O)N1CCCN(c2cc(Cl)nc(N)n2)CC1 ZINC000032779225 395713278 /nfs/dbraw/zinc/71/32/78/395713278.db2.gz FTEOOPHPCOUJGR-UHFFFAOYSA-N 0 0 305.791 0.184 50 0 DCAARN CC(=O)Nc1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000032912716 395714084 /nfs/dbraw/zinc/71/40/84/395714084.db2.gz JGNBFIYVMHNRBF-GXFFZTMASA-N 0 0 308.359 0.795 50 0 DCAARN Cc1c(NCC(=O)NC(=O)NCC(C)C)cccc1C(N)=O ZINC000032913395 395714294 /nfs/dbraw/zinc/71/42/94/395714294.db2.gz PEMPINLPLJORAY-UHFFFAOYSA-N 0 0 306.366 0.988 50 0 DCAARN O=C(Cn1nnn(-c2cccs2)c1=O)Nc1ccccn1 ZINC000032902576 395714448 /nfs/dbraw/zinc/71/44/48/395714448.db2.gz ITCRQJGXZQTYPK-UHFFFAOYSA-N 0 0 302.319 0.524 50 0 DCAARN CN(CCCNC(=O)[C@]1(C)CC1(Cl)Cl)S(C)(=O)=O ZINC000032915127 395714870 /nfs/dbraw/zinc/71/48/70/395714870.db2.gz AMNNNYMACMJTHN-VIFPVBQESA-N 0 0 317.238 0.968 50 0 DCAARN O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CNC(=O)N1 ZINC000089769720 395714917 /nfs/dbraw/zinc/71/49/17/395714917.db2.gz UDEBEGXEHVLHES-RNCFNFMXSA-N 0 0 324.331 0.589 50 0 DCAARN O=C(Cc1csc(N2CCNC2=O)n1)OC[C@H]1CCCO1 ZINC000089764708 395714940 /nfs/dbraw/zinc/71/49/40/395714940.db2.gz UDIOLPSFMWOTCQ-SNVBAGLBSA-N 0 0 311.363 0.937 50 0 DCAARN NC(=O)NCCCOC(=O)c1ccc(N2CCOCC2)cc1 ZINC000089781101 395714953 /nfs/dbraw/zinc/71/49/53/395714953.db2.gz FGLSAKLREKQIKY-UHFFFAOYSA-N 0 0 307.350 0.738 50 0 DCAARN C[C@@H](OCc1ccccc1)C(=O)NCCNS(C)(=O)=O ZINC000032966143 395715193 /nfs/dbraw/zinc/71/51/93/395715193.db2.gz JQDCIRPBPWEANP-LLVKDONJSA-N 0 0 300.380 0.257 50 0 DCAARN C[C@H](NC(=O)NCC(C)(C)N1CCOCC1)c1nncn1C ZINC000089913941 395716562 /nfs/dbraw/zinc/71/65/62/395716562.db2.gz LOPRPOAWVIZYCX-NSHDSACASA-N 0 0 310.402 0.286 50 0 DCAARN O=C(Cn1ccc(C(F)(F)F)n1)N1CCN(CCO)CC1 ZINC000035187866 395719852 /nfs/dbraw/zinc/71/98/52/395719852.db2.gz HTHNKZAELDVODO-UHFFFAOYSA-N 0 0 306.288 0.038 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CCO1 ZINC000036075940 395721954 /nfs/dbraw/zinc/72/19/54/395721954.db2.gz DUGIUZLKKLQWBD-SNVBAGLBSA-N 0 0 310.375 0.615 50 0 DCAARN CC(=O)N1CCN([C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000036390169 395723423 /nfs/dbraw/zinc/72/34/23/395723423.db2.gz MBBMNGZUFLCMFV-LBPRGKRZSA-N 0 0 309.435 0.959 50 0 DCAARN C[C@@H](OC(=O)CCNC(N)=O)C(=O)N1CCCc2ccccc21 ZINC000026412086 395694329 /nfs/dbraw/zinc/69/43/29/395694329.db2.gz HTLNMIFFRHIMDD-LLVKDONJSA-N 0 0 319.361 0.956 50 0 DCAARN O=C(NCc1ccc(N2CCOCC2)nc1)NC[C@H]1CCCO1 ZINC000027333289 395694888 /nfs/dbraw/zinc/69/48/88/395694888.db2.gz ZCYJSXOQXAVRAV-CQSZACIVSA-N 0 0 320.393 0.896 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCN(c3cnccn3)CC2)no1 ZINC000027634058 395695280 /nfs/dbraw/zinc/69/52/80/395695280.db2.gz JPIWLPDENIVDRO-LBPRGKRZSA-N 0 0 316.365 0.922 50 0 DCAARN CN(C)S(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000027968542 395695604 /nfs/dbraw/zinc/69/56/04/395695604.db2.gz PADGFNOINLRALB-CQSZACIVSA-N 0 0 313.423 0.283 50 0 DCAARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC(F)(F)F ZINC000028981261 395696580 /nfs/dbraw/zinc/69/65/80/395696580.db2.gz XXYMHWIRCQBKTM-UHFFFAOYSA-N 0 0 301.224 0.368 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)CC2CCCC2)CC1 ZINC000029664264 395699044 /nfs/dbraw/zinc/69/90/44/395699044.db2.gz YDHSRJNSZIDZRK-GFCCVEGCSA-N 0 0 324.425 0.555 50 0 DCAARN O=C(Cn1ccnn1)N1CC[C@@]2(C1)CCCN(CC1CC1)C2=O ZINC000091550835 395726003 /nfs/dbraw/zinc/72/60/03/395726003.db2.gz VVFQUUFFCCHHSI-MRXNPFEDSA-N 0 0 317.393 0.529 50 0 DCAARN NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000037370570 395726374 /nfs/dbraw/zinc/72/63/74/395726374.db2.gz 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KCIUABMJQSVYQG-UHFFFAOYSA-N 0 0 315.333 0.148 50 0 DCAARN COc1ccc(OC)c(NC(=O)CNC(=O)c2ccn(C)n2)c1 ZINC000096192632 395748522 /nfs/dbraw/zinc/74/85/22/395748522.db2.gz SKABZQVFRURFLE-UHFFFAOYSA-N 0 0 318.333 0.806 50 0 DCAARN Cc1cc(N2CCOCC2)nc(CNC(=O)c2cnccn2)n1 ZINC000096120916 395745552 /nfs/dbraw/zinc/74/55/52/395745552.db2.gz BSOKFWNBOUQCQZ-UHFFFAOYSA-N 0 0 314.349 0.342 50 0 DCAARN CC(=O)N1CCN(C(=O)[C@H](C)S(=O)(=O)C2CCCC2)CC1 ZINC000096403775 395752812 /nfs/dbraw/zinc/75/28/12/395752812.db2.gz OJFPGIJGCRWIRD-NSHDSACASA-N 0 0 316.423 0.423 50 0 DCAARN COc1cccc([C@@H](CNC(=O)CN2C(=O)CCC2=O)OC)c1 ZINC000096389808 395752931 /nfs/dbraw/zinc/75/29/31/395752931.db2.gz OWLVBKKTWYGLAL-CYBMUJFWSA-N 0 0 320.345 0.648 50 0 DCAARN CS(=O)(=O)[C@@H]1CCN(C(=O)c2cnc3ccccc3n2)C1 ZINC000096364962 395752965 /nfs/dbraw/zinc/75/29/65/395752965.db2.gz PMQHXODNTTZWKO-SNVBAGLBSA-N 0 0 305.359 0.889 50 0 DCAARN C/C=C\C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000096451694 395753902 /nfs/dbraw/zinc/75/39/02/395753902.db2.gz JRNDKUKAVNKFBZ-TYRPZCRBSA-N 0 0 312.347 0.780 50 0 DCAARN CCN(CCO)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000097177233 395755277 /nfs/dbraw/zinc/75/52/77/395755277.db2.gz KADFYQXFBAAYFO-OAHLLOKOSA-N 0 0 304.390 0.918 50 0 DCAARN COC(=O)CC(C)(C)CC(=O)NCCNC(=O)c1cccnc1 ZINC000097230401 395756407 /nfs/dbraw/zinc/75/64/07/395756407.db2.gz OSZDSGPHSORBAG-UHFFFAOYSA-N 0 0 321.377 0.907 50 0 DCAARN CCNS(=O)(=O)[C@@H]1CCN(Cc2cn(C)nc2CC)C1 ZINC000097235533 395756429 /nfs/dbraw/zinc/75/64/29/395756429.db2.gz QMUDJHCFAJEVLJ-GFCCVEGCSA-N 0 0 300.428 0.496 50 0 DCAARN Cc1nccn1CC1(CNC(=O)c2ccc(=O)n(C)n2)CC1 ZINC000097495102 395757897 /nfs/dbraw/zinc/75/78/97/395757897.db2.gz QXVJAPXLOSWYJO-UHFFFAOYSA-N 0 0 301.350 0.495 50 0 DCAARN CN(C)c1ncccc1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000046946009 395783218 /nfs/dbraw/zinc/78/32/18/395783218.db2.gz MZBGSAWMWIXUBT-GFCCVEGCSA-N 0 0 305.382 0.555 50 0 DCAARN Cn1cc([C@H]2CCCN2CC(=O)N[C@H]2CCCCNC2=O)cn1 ZINC000106655091 395783801 /nfs/dbraw/zinc/78/38/01/395783801.db2.gz BEEAVARTTSRJEE-UONOGXRCSA-N 0 0 319.409 0.342 50 0 DCAARN CN(CC(N)=O)C(=O)CCn1c2ccc(Cl)cc2oc1=O ZINC000046979869 395784622 /nfs/dbraw/zinc/78/46/22/395784622.db2.gz RNJFVHYYRKNXBO-UHFFFAOYSA-N 0 0 311.725 0.582 50 0 DCAARN Cc1nc([C@H]2CCCN2CC(=O)N[C@H]2CCCCNC2=O)no1 ZINC000107046873 395784790 /nfs/dbraw/zinc/78/47/90/395784790.db2.gz NQFYJYPQWYXNGK-NWDGAFQWSA-N 0 0 321.381 0.300 50 0 DCAARN CC(=O)N1CCN([C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@@H]2C)CC1 ZINC000107141850 395784918 /nfs/dbraw/zinc/78/49/18/395784918.db2.gz QBKWYJAOPWUOHF-WOSRLPQWSA-N 0 0 322.453 0.138 50 0 DCAARN CN1CCN(C)[C@@H](CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000108349120 395788689 /nfs/dbraw/zinc/78/86/89/395788689.db2.gz DOPVMDNHIJQCKE-VIFPVBQESA-N 0 0 323.871 0.926 50 0 DCAARN O=C(COCc1ccccc1)N1CCC2(CC1)NC(=O)NC2=O ZINC000097529114 395758691 /nfs/dbraw/zinc/75/86/91/395758691.db2.gz UOQDXLVDXVAQDW-UHFFFAOYSA-N 0 0 317.345 0.404 50 0 DCAARN Nc1ncccc1CN1CCN(C(=O)N2CCCC2)C[C@@H](O)C1 ZINC000097632112 395759051 /nfs/dbraw/zinc/75/90/51/395759051.db2.gz NUYJDTOTTAQFIO-AWEZNQCLSA-N 0 0 319.409 0.358 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000097603276 395759512 /nfs/dbraw/zinc/75/95/12/395759512.db2.gz QAYVVOFXGGKFCE-NWDGAFQWSA-N 0 0 303.318 0.185 50 0 DCAARN Nc1ncccc1CN1CCN(C(=O)c2ccco2)C[C@H](O)C1 ZINC000097698707 395760557 /nfs/dbraw/zinc/76/05/57/395760557.db2.gz UZJSAISBXWMZEO-CYBMUJFWSA-N 0 0 316.361 0.576 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCCN(c2ccccc2)CC1 ZINC000097915096 395760665 /nfs/dbraw/zinc/76/06/65/395760665.db2.gz PLRILMYLVSAXGE-ZDUSSCGKSA-N 0 0 316.361 0.323 50 0 DCAARN O=C(C1CCC1)N1CCN(Cc2ccc(CO)o2)C[C@H](O)C1 ZINC000097772894 395761101 /nfs/dbraw/zinc/76/11/01/395761101.db2.gz DPOWKRIUTCKKRM-ZDUSSCGKSA-N 0 0 308.378 0.577 50 0 DCAARN Cn1c2cncnc2n([C@@H]2CCN(C(=O)c3ccoc3)C2)c1=O ZINC000097940691 395761292 /nfs/dbraw/zinc/76/12/92/395761292.db2.gz FQWPERVOXULESM-LLVKDONJSA-N 0 0 313.317 0.810 50 0 DCAARN CS(=O)(=O)N1CCC(Nc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000097994976 395761478 /nfs/dbraw/zinc/76/14/78/395761478.db2.gz UWAAJCIJPWGQDE-UHFFFAOYSA-N 0 0 322.390 0.759 50 0 DCAARN CCOC(=O)Cn1c(=O)cc(C)n(-c2ccccc2OC)c1=O ZINC000098063767 395761909 /nfs/dbraw/zinc/76/19/09/395761909.db2.gz UXLAKVBVQKOQDI-UHFFFAOYSA-N 0 0 318.329 0.879 50 0 DCAARN NC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000100088854 395762576 /nfs/dbraw/zinc/76/25/76/395762576.db2.gz MLZJDHFHGJFLBQ-WCQYABFASA-N 0 0 301.346 0.516 50 0 DCAARN COCCNC(=O)C(=O)N[C@H]1c2ccccc2N(C(C)C)C1=O ZINC000101449191 395764497 /nfs/dbraw/zinc/76/44/97/395764497.db2.gz XKDHXFFXJFCGEG-ZDUSSCGKSA-N 0 0 319.361 0.362 50 0 DCAARN COCCNc1c(=O)c(=O)c1N1CCN(c2ccccn2)CC1 ZINC000101708729 395767199 /nfs/dbraw/zinc/76/71/99/395767199.db2.gz RIILCYSDEBKOPC-UHFFFAOYSA-N 0 0 316.361 0.063 50 0 DCAARN O=c1c(=O)c(NCc2ccco2)c1NCCCN1CCOCC1 ZINC000101699681 395767338 /nfs/dbraw/zinc/76/73/38/395767338.db2.gz KLPMCHHSKJXKBO-UHFFFAOYSA-N 0 0 319.361 0.622 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)N1CCc2sccc2C1 ZINC000045878869 395767635 /nfs/dbraw/zinc/76/76/35/395767635.db2.gz NBOGCEDOJFCLNC-UHFFFAOYSA-N 0 0 314.432 0.363 50 0 DCAARN Cn1nccc1/C=C\C(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000103447809 395772702 /nfs/dbraw/zinc/77/27/02/395772702.db2.gz RVIDVWOBPDYJPH-PLNGDYQASA-N 0 0 302.378 0.951 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)N1CCN(c2ncccn2)CC1 ZINC000046465504 395776860 /nfs/dbraw/zinc/77/68/60/395776860.db2.gz FAZSIHJZNJEYOX-CYBMUJFWSA-N 0 0 315.381 0.593 50 0 DCAARN O=C(COc1ccccc1F)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000104111221 395777737 /nfs/dbraw/zinc/77/77/37/395777737.db2.gz DCVMQLGJGHYYBN-LLVKDONJSA-N 0 0 306.293 0.611 50 0 DCAARN Cc1cc(C)n2nc(C(=O)NCC(=O)N3CCCCC3)nc2n1 ZINC000048220037 395810806 /nfs/dbraw/zinc/81/08/06/395810806.db2.gz IOXQXYYNWBPXIH-UHFFFAOYSA-N 0 0 316.365 0.483 50 0 DCAARN CCn1cnnc1CNC(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000048261770 395811510 /nfs/dbraw/zinc/81/15/10/395811510.db2.gz UWGVRZPIYCXWER-CYBMUJFWSA-N 0 0 324.429 0.454 50 0 DCAARN O=C(c1ccccn1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000048333372 395813102 /nfs/dbraw/zinc/81/31/02/395813102.db2.gz NTDSWMPRLBTYIF-ZDUSSCGKSA-N 0 0 303.362 0.793 50 0 DCAARN C[C@H](O)c1cn(C2CCN(c3ncnc4nc[nH]c43)CC2)nn1 ZINC000048482780 395816366 /nfs/dbraw/zinc/81/63/66/395816366.db2.gz NGMTUVZKBBRCOV-VIFPVBQESA-N 0 0 314.353 0.839 50 0 DCAARN COc1ccc(OCc2noc(CNS(C)(=O)=O)n2)cc1 ZINC000049027620 395826785 /nfs/dbraw/zinc/82/67/85/395826785.db2.gz PMYQCIPSURAPLE-UHFFFAOYSA-N 0 0 313.335 0.706 50 0 DCAARN Cc1csc2ncc(C(=O)NCCc3c[nH]cn3)c(=O)n12 ZINC000049547837 395832617 /nfs/dbraw/zinc/83/26/17/395832617.db2.gz LDIXCXQLKVTDHC-UHFFFAOYSA-N 0 0 303.347 0.760 50 0 DCAARN CN(C)c1cncc(O[C@@H]2CCN(C(=O)N3CCNC3=O)C2)n1 ZINC000225407157 395859811 /nfs/dbraw/zinc/85/98/11/395859811.db2.gz AXGMXVWNFNASCR-SNVBAGLBSA-N 0 0 320.353 0.141 50 0 DCAARN CS(=O)(=O)CCCNC(=O)c1ccnc(-n2ccnc2)c1 ZINC000050173048 395837163 /nfs/dbraw/zinc/83/71/63/395837163.db2.gz FJAXWQVTKNBHDP-UHFFFAOYSA-N 0 0 308.363 0.432 50 0 DCAARN COc1c(C)cnc(CNC(=O)[C@H](C)S(C)(=O)=O)c1C ZINC000050448155 395838754 /nfs/dbraw/zinc/83/87/54/395838754.db2.gz KHIPFEQBHNRNDX-JTQLQIEISA-N 0 0 300.380 0.756 50 0 DCAARN CNC(=O)c1ccc(CNC(=O)Cn2nc(C)cc2N)cc1 ZINC000218856852 395843683 /nfs/dbraw/zinc/84/36/83/395843683.db2.gz GXMLLDHZACPYDZ-UHFFFAOYSA-N 0 0 301.350 0.450 50 0 DCAARN O=C(COC[C@@H]1CCCCO1)NCCSc1c[nH]nn1 ZINC000219152287 395844474 /nfs/dbraw/zinc/84/44/74/395844474.db2.gz MNGOZKYXPZWZGN-JTQLQIEISA-N 0 0 300.384 0.599 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1OCCO)c1ccc(F)cc1F ZINC000219334518 395845495 /nfs/dbraw/zinc/84/54/95/395845495.db2.gz QOZGDXOQPQCKGX-CHWSQXEVSA-N 0 0 301.289 0.861 50 0 DCAARN Cc1ccccc1[C@@]1(O)CCN(C(=O)CN2CCOCC2)C1 ZINC000219542426 395845662 /nfs/dbraw/zinc/84/56/62/395845662.db2.gz WAUGRFNOPQVNJF-QGZVFWFLSA-N 0 0 304.390 0.747 50 0 DCAARN O=C(COc1ncnc2ccccc21)NCCN1CCNC1=O ZINC000219973369 395847058 /nfs/dbraw/zinc/84/70/58/395847058.db2.gz YWVTVCIANHOJDU-UHFFFAOYSA-N 0 0 315.333 0.150 50 0 DCAARN O=S1(=O)CCC(N2CCC(Nc3ncncn3)CC2)CC1 ZINC000220323131 395847836 /nfs/dbraw/zinc/84/78/36/395847836.db2.gz GKRZDSBTSSVSJR-UHFFFAOYSA-N 0 0 311.411 0.325 50 0 DCAARN CCS(=O)(=O)CC(=O)N[C@@H]1COCC[C@@H]1OCC1CCC1 ZINC000220536507 395849017 /nfs/dbraw/zinc/84/90/17/395849017.db2.gz ZLKFFEYAMYNQDV-OLZOCXBDSA-N 0 0 319.423 0.512 50 0 DCAARN COC(=O)c1ccc(C)c(NC(=O)N2CCO[C@H](C(N)=O)C2)c1 ZINC000051236820 395849154 /nfs/dbraw/zinc/84/91/54/395849154.db2.gz LFMZXGIRRPRDEF-LBPRGKRZSA-N 0 0 321.333 0.500 50 0 DCAARN COCCn1cnnc1CNC(=O)Cc1ccc2c(c1)OCO2 ZINC000220605610 395849500 /nfs/dbraw/zinc/84/95/00/395849500.db2.gz RKKWRUMENVHFLO-UHFFFAOYSA-N 0 0 318.333 0.512 50 0 DCAARN CC(C)Cc1cc(C(=O)N2CCC(=O)NC[C@@H]2C)[nH]c(=O)n1 ZINC000221172635 395849652 /nfs/dbraw/zinc/84/96/52/395849652.db2.gz IAECVQOQMGZGOF-JTQLQIEISA-N 0 0 306.366 0.319 50 0 DCAARN CC[C@@H](C(=O)N1CCN(c2ncc[nH]c2=O)CC1)n1cccn1 ZINC000221325988 395850608 /nfs/dbraw/zinc/85/06/08/395850608.db2.gz RJOSNXBWJXMDQW-LBPRGKRZSA-N 0 0 316.365 0.266 50 0 DCAARN CCc1cc(NCCC(=O)N2CCOCC2)n2ncnc2n1 ZINC000051652603 395852933 /nfs/dbraw/zinc/85/29/33/395852933.db2.gz LRQBKRFHFMHHHU-UHFFFAOYSA-N 0 0 304.354 0.348 50 0 DCAARN O=C(Cn1ccc(=O)cc1)N[C@@H]1CCOC[C@H]1OCC1CC1 ZINC000222856222 395853504 /nfs/dbraw/zinc/85/35/04/395853504.db2.gz RYZHZCBQHBDZCL-HUUCEWRRSA-N 0 0 306.362 0.549 50 0 DCAARN CC(C)Cn1cncc1CNC(=O)[C@H](C)NS(C)(=O)=O ZINC000223086193 395854555 /nfs/dbraw/zinc/85/45/55/395854555.db2.gz BFMYWTMXAJVAHF-JTQLQIEISA-N 0 0 302.400 0.093 50 0 DCAARN Cc1cnn(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000223579192 395855730 /nfs/dbraw/zinc/85/57/30/395855730.db2.gz ADGHOSNAINAJLU-OAHLLOKOSA-N 0 0 306.410 0.905 50 0 DCAARN CSc1nc(C(=O)NCCc2nc(N)cc(=O)[nH]2)cs1 ZINC000223741964 395856311 /nfs/dbraw/zinc/85/63/11/395856311.db2.gz BFVQYLYTFBGFBI-UHFFFAOYSA-N 0 0 311.392 0.915 50 0 DCAARN CCN1C[C@H](C(=O)N2CCN(Cc3cccnc3)CC2)CC1=O ZINC000047431712 395792238 /nfs/dbraw/zinc/79/22/38/395792238.db2.gz XFVANGVBBYXBNQ-OAHLLOKOSA-N 0 0 316.405 0.594 50 0 DCAARN O=C(Nc1ccc(Cc2nn[nH]n2)cc1)[C@H]1CCCCC(=O)N1 ZINC000194324164 395793146 /nfs/dbraw/zinc/79/31/46/395793146.db2.gz YOSDQMWJGHNSJM-GFCCVEGCSA-N 0 0 314.349 0.788 50 0 DCAARN CC[C@H](CO)NC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000047601992 395796846 /nfs/dbraw/zinc/79/68/46/395796846.db2.gz KFLRTSUFNWJAPZ-LLVKDONJSA-N 0 0 300.380 0.660 50 0 DCAARN C[C@]1(c2cccs2)NC(=O)N(CC(=O)N2CCNC2=O)C1=O ZINC000053864333 395890009 /nfs/dbraw/zinc/89/00/09/395890009.db2.gz VXPHQEBQSPKCGO-CYBMUJFWSA-N 0 0 322.346 0.067 50 0 DCAARN Cc1c(C(=O)N2CC[C@@H](C(N)=O)C2)nnn1-c1ccc(F)cc1 ZINC000053894282 395890819 /nfs/dbraw/zinc/89/08/19/395890819.db2.gz MSPWOCYOILTYGP-SNVBAGLBSA-N 0 0 317.324 0.662 50 0 DCAARN Cc1[nH]c(=O)c(C(=O)NCc2nc[nH]n2)cc1Br ZINC000123489244 395894129 /nfs/dbraw/zinc/89/41/29/395894129.db2.gz LGPUNQSEOQZDFW-UHFFFAOYSA-N 0 0 312.127 0.906 50 0 DCAARN Cc1cc(Br)cc(C(=O)NCCS(N)(=O)=O)c1 ZINC000124296479 395900055 /nfs/dbraw/zinc/90/00/55/395900055.db2.gz OSQNTSJNKKUXRN-UHFFFAOYSA-N 0 0 321.196 0.776 50 0 DCAARN COCc1ccccc1CNC(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000237171769 395905128 /nfs/dbraw/zinc/90/51/28/395905128.db2.gz RLLGVZQLMHMGMS-AWEZNQCLSA-N 0 0 306.362 0.998 50 0 DCAARN CCN(Cc1cc(C(C)(C)C)n[nH]1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000055282568 395915474 /nfs/dbraw/zinc/91/54/74/395915474.db2.gz GGDRCBYXRDJHLK-RYUDHWBXSA-N 0 0 315.439 0.687 50 0 DCAARN CCc1nnc(SCC(=O)NCCc2cc(=O)[nH]c(C)n2)[nH]1 ZINC000055344082 395917528 /nfs/dbraw/zinc/91/75/28/395917528.db2.gz HFODCKSWNKVYNJ-UHFFFAOYSA-N 0 0 322.394 0.210 50 0 DCAARN CN(C)c1ncccc1C(=O)N1CCC(N2CCNC2=O)CC1 ZINC000055786598 395921465 /nfs/dbraw/zinc/92/14/65/395921465.db2.gz DVRBPSUPRDMJPQ-UHFFFAOYSA-N 0 0 317.393 0.777 50 0 DCAARN Cn1nc2c(cc1=O)C[C@@H](C(=O)NCCCn1cccn1)CC2 ZINC000238892162 395923108 /nfs/dbraw/zinc/92/31/08/395923108.db2.gz QSFRFBCXLVNZEU-LBPRGKRZSA-N 0 0 315.377 0.288 50 0 DCAARN Cc1cc(=O)[nH]c(N2CCC(NC(=O)N3CCOCC3)CC2)n1 ZINC000238889932 395923133 /nfs/dbraw/zinc/92/31/33/395923133.db2.gz QMOVJZHZSTWHQB-UHFFFAOYSA-N 0 0 321.381 0.501 50 0 DCAARN Cn1nc2c(cc1=O)C[C@H](C(=O)NCCCn1cccn1)CC2 ZINC000238892161 395923152 /nfs/dbraw/zinc/92/31/52/395923152.db2.gz QSFRFBCXLVNZEU-GFCCVEGCSA-N 0 0 315.377 0.288 50 0 DCAARN O=C(CN1CCOCC1)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000244816850 395925404 /nfs/dbraw/zinc/92/54/04/395925404.db2.gz SPPUSXMQPVYKNP-BRWVUGGUSA-N 0 0 318.417 0.817 50 0 DCAARN Cc1nc2c(c(=O)n1C)CN(C(=O)COC[C@@H]1CCCCO1)C2 ZINC000244840301 395925472 /nfs/dbraw/zinc/92/54/72/395925472.db2.gz UKQAFLBZMBMKCV-LBPRGKRZSA-N 0 0 321.377 0.517 50 0 DCAARN CCN(C(C)C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000225534726 395861601 /nfs/dbraw/zinc/86/16/01/395861601.db2.gz AXFDIUOFMVVYPR-UHFFFAOYSA-N 0 0 311.363 0.635 50 0 DCAARN CCN1CCN(C(=O)[C@@H](C)N(C)CCc2cnccn2)CC1 ZINC000271376497 395861919 /nfs/dbraw/zinc/86/19/19/395861919.db2.gz SCUSFOOMULBDSM-CQSZACIVSA-N 0 0 305.426 0.504 50 0 DCAARN CCN1CCN(C(=O)NCCn2ccnc2C2CC2)C(=O)C1=O ZINC000225568064 395862508 /nfs/dbraw/zinc/86/25/08/395862508.db2.gz IZENKOCYQTXRCL-UHFFFAOYSA-N 0 0 319.365 0.161 50 0 DCAARN COC(=O)[C@@H]1CS(=O)(=O)CCN1CCSC(C)(C)C ZINC000225786885 395863597 /nfs/dbraw/zinc/86/35/97/395863597.db2.gz PFMCRYIPHFLSHQ-JTQLQIEISA-N 0 0 309.453 0.790 50 0 DCAARN Cc1ccc([C@@H](C)NC(=O)CN2CCS(=O)(=O)CC2)cc1 ZINC000052473500 395863845 /nfs/dbraw/zinc/86/38/45/395863845.db2.gz WLNKLMJLEYRDPF-CYBMUJFWSA-N 0 0 310.419 0.903 50 0 DCAARN CC(C)NS(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 ZINC000226687090 395867351 /nfs/dbraw/zinc/86/73/51/395867351.db2.gz ZAYTWNLPXCKZBZ-UHFFFAOYSA-N 0 0 300.380 0.840 50 0 DCAARN O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCn1ccnc1 ZINC000052902611 395872987 /nfs/dbraw/zinc/87/29/87/395872987.db2.gz UDGVFFGYYQENIG-UHFFFAOYSA-N 0 0 323.356 0.923 50 0 DCAARN O[C@H](CN1CCO[C@@H](Cn2cncn2)C1)c1cccc(F)c1 ZINC000229499219 395874663 /nfs/dbraw/zinc/87/46/63/395874663.db2.gz LGJGNHDFNJZDTB-HUUCEWRRSA-N 0 0 306.341 0.852 50 0 DCAARN O=[S@](CCN1CCO[C@@H](Cn2cncn2)C1)c1ccccc1 ZINC000229499137 395874692 /nfs/dbraw/zinc/87/46/92/395874692.db2.gz LHCXILIVVDTNIW-JLCFBVMHSA-N 0 0 320.418 0.787 50 0 DCAARN CS(=O)(=O)CCN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O ZINC000053118403 395876103 /nfs/dbraw/zinc/87/61/03/395876103.db2.gz DBCUIXOZDNYYQH-OAHLLOKOSA-N 0 0 322.386 0.815 50 0 DCAARN C[C@@H]1C[C@@H](N2CCO[C@@H](CN(C)c3cccnn3)C2)C(=O)O1 ZINC000229824613 395876723 /nfs/dbraw/zinc/87/67/23/395876723.db2.gz BGVGPZDSRHINJI-FRRDWIJNSA-N 0 0 306.366 0.318 50 0 DCAARN NS(=O)(=O)c1ccc(CNC(=O)NCc2ccccn2)cc1 ZINC000053249651 395879278 /nfs/dbraw/zinc/87/92/78/395879278.db2.gz UJPOITYCANRJRO-UHFFFAOYSA-N 0 0 320.374 0.728 50 0 DCAARN COCC(=O)N1CCN(C)C[C@H]1C(=O)NCCc1ccc(C)o1 ZINC000230492018 395881284 /nfs/dbraw/zinc/88/12/84/395881284.db2.gz TVKATNUWTDNNSI-AWEZNQCLSA-N 0 0 323.393 0.036 50 0 DCAARN O=C(NCCCn1ccnc1)N1CCN(c2ncccn2)CC1 ZINC000053509999 395884984 /nfs/dbraw/zinc/88/49/84/395884984.db2.gz GGPFUJRCLFGBEC-UHFFFAOYSA-N 0 0 315.381 0.595 50 0 DCAARN O=C(Cn1nnc2ccccc21)Nc1nc(-c2ccccn2)n[nH]1 ZINC000053525944 395885811 /nfs/dbraw/zinc/88/58/11/395885811.db2.gz GNAHLVOQTWQQDA-UHFFFAOYSA-N 0 0 320.316 0.672 50 0 DCAARN O=C(NC[C@H](O)COc1cccc(F)c1)c1ccc[nH]c1=O ZINC000056669540 395932494 /nfs/dbraw/zinc/93/24/94/395932494.db2.gz IYWPNOXUBNLMCW-NSHDSACASA-N 0 0 306.293 0.684 50 0 DCAARN c1csc(CN2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000135048617 395937448 /nfs/dbraw/zinc/93/74/48/395937448.db2.gz SSGDEYYLRYDTAX-UHFFFAOYSA-N 0 0 301.379 0.903 50 0 DCAARN COc1cc(C(=O)N2CCS(=O)(=O)CC2)cc(OC)c1C ZINC000057888742 395949651 /nfs/dbraw/zinc/94/96/51/395949651.db2.gz YCTGXSBEVAJKIS-UHFFFAOYSA-N 0 0 313.375 0.883 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)N1CCN(c2ccccc2O)CC1 ZINC000058143787 395951791 /nfs/dbraw/zinc/95/17/91/395951791.db2.gz UAXILTNMCOHQQY-NSHDSACASA-N 0 0 306.366 0.358 50 0 DCAARN C[C@H]1N=C(NCc2cccc(CN3CCOCC3)c2)OC1=O ZINC000058342902 395953307 /nfs/dbraw/zinc/95/33/07/395953307.db2.gz OHLCWOQJHSJCFO-GFCCVEGCSA-N 0 0 303.362 0.910 50 0 DCAARN COC(=O)CNC(=O)CSc1ncccc1-c1noc(C)n1 ZINC000065211314 395991207 /nfs/dbraw/zinc/99/12/07/395991207.db2.gz XLRFDPXBAJJBOL-UHFFFAOYSA-N 0 0 322.346 0.821 50 0 DCAARN Cn1ncc(NC(=O)c2ccco2)c(N2CCOCC2)c1=O ZINC000065307202 395992092 /nfs/dbraw/zinc/99/20/92/395992092.db2.gz VTBFDNWTJKRGRZ-UHFFFAOYSA-N 0 0 304.306 0.462 50 0 DCAARN COCc1cc(=O)n(CC(=O)Nc2cccc(C)c2)c(N)n1 ZINC000065310946 395992425 /nfs/dbraw/zinc/99/24/25/395992425.db2.gz AVJGGIIHUSKDJD-UHFFFAOYSA-N 0 0 302.334 0.919 50 0 DCAARN Cn1cnc(S(=O)(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)c1 ZINC000252536299 396022671 /nfs/dbraw/zinc/02/26/71/396022671.db2.gz ICBQZXNDTIZOTC-WDMOLILDSA-N 0 0 322.390 0.606 50 0 DCAARN COC(=O)c1sccc1OCc1cc(=O)n(C)c(=O)n1C ZINC000067448743 396026322 /nfs/dbraw/zinc/02/63/22/396026322.db2.gz ZFWYTYVXUAYRTD-UHFFFAOYSA-N 0 0 310.331 0.511 50 0 DCAARN CN(CC#N)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000253396249 396026923 /nfs/dbraw/zinc/02/69/23/396026923.db2.gz AXYKNMJUHMDTRZ-UONOGXRCSA-N 0 0 301.346 0.801 50 0 DCAARN COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C[NH3+] ZINC000253415958 396027839 /nfs/dbraw/zinc/02/78/39/396027839.db2.gz GGBVVEZHKHQVQN-JGVFFNPUSA-N 0 0 319.408 0.335 50 0 DCAARN Cn1ccc(C(=O)NC[C@H]2CCCN2c2cccnn2)cc1=O ZINC000253426124 396028488 /nfs/dbraw/zinc/02/84/88/396028488.db2.gz BEPKVZQVASCJKA-CYBMUJFWSA-N 0 0 313.361 0.574 50 0 DCAARN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000253433610 396028576 /nfs/dbraw/zinc/02/85/76/396028576.db2.gz ZJAFSJUSMAJZAZ-OLZOCXBDSA-N 0 0 318.439 0.541 50 0 DCAARN C[C@H]1CN(c2ccnc3c2cnn3C)CCN1S(C)(=O)=O ZINC000253427451 396028953 /nfs/dbraw/zinc/02/89/53/396028953.db2.gz MOCABIUMJGLIFZ-JTQLQIEISA-N 0 0 309.395 0.438 50 0 DCAARN Cn1ccsc1=NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000254614613 396032171 /nfs/dbraw/zinc/03/21/71/396032171.db2.gz QFFMDCWGXPXIAQ-AOOOYVTPSA-N 0 0 307.375 0.689 50 0 DCAARN CCO[C@H]1COC[C@@H]1NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000067772380 396033357 /nfs/dbraw/zinc/03/33/57/396033357.db2.gz BICAKKWWOMUQEJ-RYUDHWBXSA-N 0 0 303.318 0.457 50 0 DCAARN O=C([O-])c1c2c(sc1S(=O)(=O)NC1CCC1)C[NH2+]CC2 ZINC000067757768 396033428 /nfs/dbraw/zinc/03/34/28/396033428.db2.gz IFLIJKTVMLLDOK-UHFFFAOYSA-N 0 0 316.404 0.923 50 0 DCAARN C[N@@H+]1CCN(C(=O)Cc2ccc(O)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000067805868 396033837 /nfs/dbraw/zinc/03/38/37/396033837.db2.gz YAHTYDSGLXZUQG-LLVKDONJSA-N 0 0 312.753 0.815 50 0 DCAARN O=C(Cn1cnnn1)N1CCCn2ccnc2[C@H]1c1ccccc1 ZINC000257174701 396034049 /nfs/dbraw/zinc/03/40/49/396034049.db2.gz JSOSPGNYCGHAPA-OAHLLOKOSA-N 0 0 323.360 0.892 50 0 DCAARN COC[C@@H]1CC(F)(F)CN1C1CCN(S(C)(=O)=O)CC1 ZINC000257191704 396034848 /nfs/dbraw/zinc/03/48/48/396034848.db2.gz QYODOTQTLPQJOD-NSHDSACASA-N 0 0 312.382 0.766 50 0 DCAARN Cc1ccc(F)cc1CC(=O)NCCN(C)S(C)(=O)=O ZINC000067820799 396034913 /nfs/dbraw/zinc/03/49/13/396034913.db2.gz ZSCGWQREFSMRRO-UHFFFAOYSA-N 0 0 302.371 0.684 50 0 DCAARN O[C@@H]1CCN(c2nc3nonc3nc2N2CCCCCC2)C1 ZINC000067921115 396039016 /nfs/dbraw/zinc/03/90/16/396039016.db2.gz HXTSBSGNTTVSFQ-SNVBAGLBSA-N 0 0 304.354 0.964 50 0 DCAARN Cn1ccnc1CN1CC[C@@H](CNC(=O)c2ccc(N)nc2)C1 ZINC000067982340 396041729 /nfs/dbraw/zinc/04/17/29/396041729.db2.gz HHIMGXDBCWELJG-LBPRGKRZSA-N 0 0 314.393 0.649 50 0 DCAARN CN(CC(=O)N1CC[C@@]2(CN(C)C(=O)O2)C1)Cc1ccncc1 ZINC000252482746 396019803 /nfs/dbraw/zinc/01/98/03/396019803.db2.gz DMUWDAZIIMDMCU-MRXNPFEDSA-N 0 0 318.377 0.567 50 0 DCAARN C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)c1nnnn1C ZINC000252483812 396020059 /nfs/dbraw/zinc/02/00/59/396020059.db2.gz FIXIMQMZDZELOT-LBPRGKRZSA-N 0 0 315.381 0.803 50 0 DCAARN C[C@H](NC(=O)CNC(=O)c1cccs1)c1nnnn1C1CC1 ZINC000252485060 396020666 /nfs/dbraw/zinc/02/06/66/396020666.db2.gz GNBDXCLRSRFDPQ-QMMMGPOBSA-N 0 0 320.378 0.677 50 0 DCAARN COC(=O)c1ccc(C)c(NC(=O)CN2CCC(=O)NC2=O)c1 ZINC000069654721 396086048 /nfs/dbraw/zinc/08/60/48/396086048.db2.gz OGVWGCNOIXRLHP-UHFFFAOYSA-N 0 0 319.317 0.662 50 0 DCAARN O=C(CN1CCSCC1)NC1CCC2(CC1)OCCO2 ZINC000069703547 396087680 /nfs/dbraw/zinc/08/76/80/396087680.db2.gz JEVHLEQFFCPDBP-UHFFFAOYSA-N 0 0 300.424 0.837 50 0 DCAARN CCC(=O)N1C[C@@H](c2ccncc2)[C@H](C(=O)N2CCOCC2)C1 ZINC000169752084 396091223 /nfs/dbraw/zinc/09/12/23/396091223.db2.gz IKSNMPAAFYTDFH-LSDHHAIUSA-N 0 0 317.389 0.892 50 0 DCAARN COCCN1C(=O)c2cccn2C[C@H]1CNC(=O)c1ccoc1 ZINC000169778905 396091762 /nfs/dbraw/zinc/09/17/62/396091762.db2.gz GZBDETRUBXWSFG-CYBMUJFWSA-N 0 0 317.345 0.982 50 0 DCAARN CNC(=O)N1CCC([C@@H]2CCN(C(=O)NCCOC)C2)CC1 ZINC000169781645 396091862 /nfs/dbraw/zinc/09/18/62/396091862.db2.gz HHTYIZXAGCYGHD-CYBMUJFWSA-N 0 0 312.414 0.716 50 0 DCAARN CN1C(=O)c2cccn2C[C@H]1CNS(=O)(=O)c1ccccc1 ZINC000169778815 396091981 /nfs/dbraw/zinc/09/19/81/396091981.db2.gz YEILPYATSOWNPB-GFCCVEGCSA-N 0 0 319.386 0.921 50 0 DCAARN O=C(NCCc1ccccc1)[C@H]1CCN(c2cn[nH]c(=O)c2)C1 ZINC000169785395 396092873 /nfs/dbraw/zinc/09/28/73/396092873.db2.gz JEAQXTFVEOQBCL-AWEZNQCLSA-N 0 0 312.373 0.955 50 0 DCAARN CN(C(=O)c1ccc[nH]c1=O)[C@H]1CCc2nn(C)c(=O)n2CC1 ZINC000169790603 396093372 /nfs/dbraw/zinc/09/33/72/396093372.db2.gz CACOFQXCBNTCSF-JTQLQIEISA-N 0 0 317.349 0.160 50 0 DCAARN COCCOc1ccccc1C(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000069876137 396093956 /nfs/dbraw/zinc/09/39/56/396093956.db2.gz IYAIAZWWWMLTKM-CQSZACIVSA-N 0 0 322.405 0.850 50 0 DCAARN CCn1c(-c2cccc(OC)n2)nc2c1c(=O)[nH]c(=O)n2CC ZINC000170090330 396094512 /nfs/dbraw/zinc/09/45/12/396094512.db2.gz KFMMPEDODRUDJM-UHFFFAOYSA-N 0 0 315.333 0.997 50 0 DCAARN CSc1nn(C)c2ncn(C[C@H](O)C(F)(F)F)c(=O)c12 ZINC000170080236 396094519 /nfs/dbraw/zinc/09/45/19/396094519.db2.gz WFCJAMFKSOLZJG-YFKPBYRVSA-N 0 0 308.285 0.775 50 0 DCAARN CCO[C@@H]1C[C@](NC(=O)CNC(=O)CC)(C(=O)OC)C1(C)C ZINC000170602652 396095120 /nfs/dbraw/zinc/09/51/20/396095120.db2.gz CCPMSFMNVVONCH-BMIGLBTASA-N 0 0 314.382 0.376 50 0 DCAARN NC(=O)NCC(=O)NCCCOc1cccc2cccnc21 ZINC000170626517 396096003 /nfs/dbraw/zinc/09/60/03/396096003.db2.gz TVEJJBGSJOZDOF-UHFFFAOYSA-N 0 0 302.334 0.788 50 0 DCAARN O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCSCC1 ZINC000170625393 396096032 /nfs/dbraw/zinc/09/60/32/396096032.db2.gz QDRCSOHRWYNHAR-NSHDSACASA-N 0 0 323.374 0.666 50 0 DCAARN CC(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](C)O ZINC000170624213 396096182 /nfs/dbraw/zinc/09/61/82/396096182.db2.gz QWGPXALLLFHITB-VIFPVBQESA-N 0 0 309.370 0.262 50 0 DCAARN Cc1nc(NC(=O)[C@@H](C)N2CCN(CCO)CC2)sc1C ZINC000069951730 396096386 /nfs/dbraw/zinc/09/63/86/396096386.db2.gz ORTKOHOXPVVPLW-LLVKDONJSA-N 0 0 312.439 0.697 50 0 DCAARN CCS(=O)(=O)CCN1C(=O)CN(Cc2ccccc2)C1=O ZINC000170613952 396096453 /nfs/dbraw/zinc/09/64/53/396096453.db2.gz NZZZQSGDNRBAEF-UHFFFAOYSA-N 0 0 310.375 0.886 50 0 DCAARN O=C(NCc1ccco1)N1CCN(C[C@@H]2COCCO2)CC1 ZINC000069971627 396097190 /nfs/dbraw/zinc/09/71/90/396097190.db2.gz ZPSWCXHFSIAABX-CQSZACIVSA-N 0 0 309.366 0.522 50 0 DCAARN CCS(=O)(=O)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 ZINC000070641102 396102721 /nfs/dbraw/zinc/10/27/21/396102721.db2.gz ITODWIVPZNWASE-UHFFFAOYSA-N 0 0 322.394 0.134 50 0 DCAARN Cc1ccc(-c2ccnc(N[C@H](C(N)=O)[C@@H](C)O)n2)c(C)n1 ZINC000071422372 396113780 /nfs/dbraw/zinc/11/37/80/396113780.db2.gz OOVBTSPEGYTTOA-MFKMUULPSA-N 0 0 301.350 0.802 50 0 DCAARN CN(CCc1nc2cc(F)ccc2[nH]1)C(=O)[C@@H]1COC(=O)N1 ZINC000071589402 396114134 /nfs/dbraw/zinc/11/41/34/396114134.db2.gz FHFPZRKIISCIKG-NSHDSACASA-N 0 0 306.297 0.811 50 0 DCAARN C[S@](=O)c1nncn1CC(=O)NCC1(c2ccccc2)CC1 ZINC000071804152 396115235 /nfs/dbraw/zinc/11/52/35/396115235.db2.gz IKFIIYJPIMXTPS-JOCHJYFZSA-N 0 0 318.402 0.864 50 0 DCAARN CCSc1ccc([C@@H](C)NC(=O)NC(C(N)=O)C(N)=O)cc1 ZINC000071803247 396115383 /nfs/dbraw/zinc/11/53/83/396115383.db2.gz GBDOAFYHBYVRSE-MRVPVSSYSA-N 0 0 324.406 0.498 50 0 DCAARN CNC(=O)COc1cccc(CNC(=O)c2ccc[nH]c2=O)c1 ZINC000071819976 396116399 /nfs/dbraw/zinc/11/63/99/396116399.db2.gz HPGAFCOPZHBPBD-UHFFFAOYSA-N 0 0 315.329 0.430 50 0 DCAARN CCc1ncc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)s1 ZINC000071830980 396117874 /nfs/dbraw/zinc/11/78/74/396117874.db2.gz OPIIEPGVQLAJSE-UHFFFAOYSA-N 0 0 308.363 0.520 50 0 DCAARN COc1cccc(C(=O)N2CCN(C[C@H](C)O)CC2)c1OC ZINC000071870976 396120546 /nfs/dbraw/zinc/12/05/46/396120546.db2.gz SSNBTBHVKMCZKV-LBPRGKRZSA-N 0 0 308.378 0.842 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1 ZINC000071871023 396120650 /nfs/dbraw/zinc/12/06/50/396120650.db2.gz ACEAXEZHTARIKF-SNVBAGLBSA-N 0 0 320.315 0.427 50 0 DCAARN O=C(CN1CCCC[C@H]1Cn1cncn1)Nc1nncs1 ZINC000071876372 396121074 /nfs/dbraw/zinc/12/10/74/396121074.db2.gz MNZBPYGTBWHFAB-JTQLQIEISA-N 0 0 307.383 0.623 50 0 DCAARN COCCc1noc(CN2CCCC[C@H]2Cn2cncn2)n1 ZINC000071876465 396121659 /nfs/dbraw/zinc/12/16/59/396121659.db2.gz KRNLAHLLADRISS-LBPRGKRZSA-N 0 0 306.370 0.905 50 0 DCAARN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCn2c(nnc2C2CC2)C1 ZINC000071880914 396122612 /nfs/dbraw/zinc/12/26/12/396122612.db2.gz JXIGXFOXDHWMJS-DGCLKSJQSA-N 0 0 319.409 0.655 50 0 DCAARN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1nnnn1C1CC1 ZINC000071880450 396122775 /nfs/dbraw/zinc/12/27/75/396122775.db2.gz KADXUSLSNZCQPB-UONOGXRCSA-N 0 0 304.398 0.983 50 0 DCAARN COc1c([C@@H]2CCCN2CCS(C)(=O)=O)c(C)nn1C ZINC000072253988 396128260 /nfs/dbraw/zinc/12/82/60/396128260.db2.gz QEEQXYMKBLQNIY-NSHDSACASA-N 0 0 301.412 0.919 50 0 DCAARN COC(=O)[C@H](c1cc(F)ccc1F)N(C)S(=O)(=O)N(C)C ZINC000069373586 396076361 /nfs/dbraw/zinc/07/63/61/396076361.db2.gz CZOUFCQEYOMHGR-NSHDSACASA-N 0 0 322.333 0.917 50 0 DCAARN CN(C(=O)CN1CCO[C@H](Cn2cccn2)C1)c1nccs1 ZINC000069376112 396076754 /nfs/dbraw/zinc/07/67/54/396076754.db2.gz CZYWODAVBTZHAK-LBPRGKRZSA-N 0 0 321.406 0.703 50 0 DCAARN C[C@H]1CN(CCCS(C)(=O)=O)CCN1Cc1nccn1C ZINC000069442866 396078803 /nfs/dbraw/zinc/07/88/03/396078803.db2.gz GRHBPVZMAWRCDE-ZDUSSCGKSA-N 0 0 314.455 0.361 50 0 DCAARN Cc1cnn(C[C@@H]2CN(c3ncnc4c3cnn4C)CCO2)c1 ZINC000069451470 396078985 /nfs/dbraw/zinc/07/89/85/396078985.db2.gz DIXCSVBAFMFCDE-LBPRGKRZSA-N 0 0 313.365 0.774 50 0 DCAARN C[C@H]1CN(Cc2cnn(C)c2)CCN1c1ccc2nncn2n1 ZINC000069458484 396079302 /nfs/dbraw/zinc/07/93/02/396079302.db2.gz OFYVQDPKSFRDRO-LBPRGKRZSA-N 0 0 312.381 0.569 50 0 DCAARN CNC(=O)[C@@H](CC(C)C)NC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000069456631 396079748 /nfs/dbraw/zinc/07/97/48/396079748.db2.gz WAEKTPHROKCJQL-LLVKDONJSA-N 0 0 318.381 0.632 50 0 DCAARN Cc1cnn(C[C@@H]2CN(c3cc(C)nc4ncnn43)CCO2)c1 ZINC000069571045 396083616 /nfs/dbraw/zinc/08/36/16/396083616.db2.gz KRMPCUQXZNAQAT-ZDUSSCGKSA-N 0 0 313.365 0.843 50 0 DCAARN Cn1ccnc1CN1CCN(Cc2nnc(C3CC3)o2)CC1 ZINC000069632822 396085645 /nfs/dbraw/zinc/08/56/45/396085645.db2.gz ZSUUXZRHHINNCA-UHFFFAOYSA-N 0 0 302.382 0.998 50 0 DCAARN O=C(N[C@@H]1CCc2ccccc2C1)N1CCS(=O)(=O)CC1 ZINC000279052210 396149691 /nfs/dbraw/zinc/14/96/91/396149691.db2.gz KFLAABARGRSHRF-CQSZACIVSA-N 0 0 308.403 0.984 50 0 DCAARN Cc1cc(C)c(CNC(=O)N[C@@H](C)c2nncn2C)c(=O)[nH]1 ZINC000075117923 396176710 /nfs/dbraw/zinc/17/67/10/396176710.db2.gz FIIUNPZZIZJAHG-JTQLQIEISA-N 0 0 304.354 0.681 50 0 DCAARN COC[C@@H](C)NC(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O ZINC000075118777 396176786 /nfs/dbraw/zinc/17/67/86/396176786.db2.gz HQCSLKGSDOMJAO-SNVBAGLBSA-N 0 0 316.361 0.834 50 0 DCAARN CS(=O)(=O)CCC(=O)N1CCN(CCc2ccccc2)CC1 ZINC000075518612 396180936 /nfs/dbraw/zinc/18/09/36/396180936.db2.gz DYEPNZKUYAKJBB-UHFFFAOYSA-N 0 0 324.446 0.808 50 0 DCAARN CCn1nc(C(=O)N2CCC[C@@H]2c2noc(C)n2)ccc1=O ZINC000076043571 396192842 /nfs/dbraw/zinc/19/28/42/396192842.db2.gz ZZUKTLRYBXSHHI-LLVKDONJSA-N 0 0 303.322 0.932 50 0 DCAARN Cc1nnc([C@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)CCO2)[nH]1 ZINC000076044899 396193099 /nfs/dbraw/zinc/19/30/99/396193099.db2.gz UCKXYCSWHCZXBD-GFCCVEGCSA-N 0 0 302.338 0.927 50 0 DCAARN Cc1csc2nc(Cn3ccnc3S(C)(=O)=O)cc(=O)n12 ZINC000076092604 396196776 /nfs/dbraw/zinc/19/67/76/396196776.db2.gz IFZRWWWMESXJNB-UHFFFAOYSA-N 0 0 324.387 0.713 50 0 DCAARN O=C(CNC(=O)c1ccccc1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000078025460 396238204 /nfs/dbraw/zinc/23/82/04/396238204.db2.gz YHQGHYXFGZLGRP-ZDUSSCGKSA-N 0 0 316.279 0.942 50 0 DCAARN CCOc1nnc(CN2CCO[C@@H](Cn3cncn3)C2)s1 ZINC000078783520 396253732 /nfs/dbraw/zinc/25/37/32/396253732.db2.gz XFALQRAHQVKIJN-SNVBAGLBSA-N 0 0 310.383 0.429 50 0 DCAARN COc1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cn1 ZINC000078789501 396254640 /nfs/dbraw/zinc/25/46/40/396254640.db2.gz DKKCRAVFAZQSIE-UONOGXRCSA-N 0 0 305.378 0.761 50 0 DCAARN Cc1cnn(CCCNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000078923109 396258030 /nfs/dbraw/zinc/25/80/30/396258030.db2.gz ZKJLCRUOMRIYSJ-GFCCVEGCSA-N 0 0 305.382 0.644 50 0 DCAARN COCCn1cc(NC(=O)N2CC[S@@](=O)C(C)(C)C2)cn1 ZINC000079076194 396261103 /nfs/dbraw/zinc/26/11/03/396261103.db2.gz AMJWQPNINVURJX-NRFANRHFSA-N 0 0 314.411 0.904 50 0 DCAARN COc1cc(N2CCN(C(=O)Cc3cc(C)on3)CC2)ncn1 ZINC000183814719 396276064 /nfs/dbraw/zinc/27/60/64/396276064.db2.gz SIBPDDWYUQCUIU-UHFFFAOYSA-N 0 0 317.349 0.673 50 0 DCAARN O=S(=O)(NC[C@]1(O)CCOC1)c1ccc(F)c(Cl)c1 ZINC000178988470 396217567 /nfs/dbraw/zinc/21/75/67/396217567.db2.gz GGWYFSMMGZVKKS-LLVKDONJSA-N 0 0 309.746 0.909 50 0 DCAARN C[C@H](CN1CCCC1=O)NC(=O)[C@H]1COCCN1C1CCCC1 ZINC000192190497 396430128 /nfs/dbraw/zinc/43/01/28/396430128.db2.gz XZXFZZPDFXFUHJ-UKRRQHHQSA-N 0 0 323.437 0.757 50 0 DCAARN CN(C)c1noc(CN2CCCN(c3cccnn3)CC2)n1 ZINC000192711414 396435732 /nfs/dbraw/zinc/43/57/32/396435732.db2.gz OIHUMYMRCYKNQE-UHFFFAOYSA-N 0 0 303.370 0.638 50 0 DCAARN COC(=O)[C@@H]1N[C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]12 ZINC000526056124 396531761 /nfs/dbraw/zinc/53/17/61/396531761.db2.gz ZEZMVPHAUKHCOT-YVECIDJPSA-N 0 0 318.329 0.112 50 0 DCAARN COC(=O)C1(CNC(=O)c2cc(CN3CCCC3)on2)CC1 ZINC000293408401 396607298 /nfs/dbraw/zinc/60/72/98/396607298.db2.gz SKSKDRLOPPDHBC-UHFFFAOYSA-N 0 0 307.350 0.953 50 0 DCAARN CC(C)c1cc(CNC(=O)NCCNS(C)(=O)=O)no1 ZINC000584887281 396632498 /nfs/dbraw/zinc/63/24/98/396632498.db2.gz SCGHBKCFTUOMJI-UHFFFAOYSA-N 0 0 304.372 0.146 50 0 DCAARN CCC[C@@H](NC(C)=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000584889182 396633144 /nfs/dbraw/zinc/63/31/44/396633144.db2.gz HNZMWFJWINLBLP-SSDOTTSWSA-N 0 0 307.276 0.745 50 0 DCAARN CN(CC1(N2CCOCC2)CCCCC1)C(=O)c1nc[nH]n1 ZINC000584897332 396635738 /nfs/dbraw/zinc/63/57/38/396635738.db2.gz HZXOKXLFYCGMEU-UHFFFAOYSA-N 0 0 307.398 0.912 50 0 DCAARN Cc1nnnn1CCC(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000584898990 396636155 /nfs/dbraw/zinc/63/61/55/396636155.db2.gz DCEFWRXYZGCDBQ-UHFFFAOYSA-N 0 0 303.322 0.759 50 0 DCAARN CNC(=O)C[C@H]1CCN(C(=O)c2ccc(NC(C)=O)cc2O)C1 ZINC000584899350 396636265 /nfs/dbraw/zinc/63/62/65/396636265.db2.gz HQEVEIKPLMVIFL-LLVKDONJSA-N 0 0 319.361 0.949 50 0 DCAARN CNC(=O)c1ccc(CNC(=O)N(C)C[C@@H]2COCCO2)cc1 ZINC000584900282 396636390 /nfs/dbraw/zinc/63/63/90/396636390.db2.gz CEDPRFMJCSIZRF-CQSZACIVSA-N 0 0 321.377 0.603 50 0 DCAARN COC(=O)N1CCCC[C@@H]1C(=O)NCCc1nc(C)cc(=O)[nH]1 ZINC000584902181 396637210 /nfs/dbraw/zinc/63/72/10/396637210.db2.gz UXYZINSFNSWWFB-LLVKDONJSA-N 0 0 322.365 0.770 50 0 DCAARN O=C(COc1ccccc1F)N[C@H](CO)[C@H](O)c1ccccn1 ZINC000585134093 396640687 /nfs/dbraw/zinc/64/06/87/396640687.db2.gz DMEAOHJSEZAKIT-CZUORRHYSA-N 0 0 320.320 0.810 50 0 DCAARN CCN(C[C@@H]1CN([C@H]2C[C@@H](C)OC2=O)CCO1)c1cccnn1 ZINC000299754077 396714337 /nfs/dbraw/zinc/71/43/37/396714337.db2.gz WOZQZUNNSSUTHW-MCIONIFRSA-N 0 0 320.393 0.708 50 0 DCAARN O=C(CN1CCOCC1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000331956531 396877458 /nfs/dbraw/zinc/87/74/58/396877458.db2.gz RWFICPJLYPZVRJ-GJZGRUSLSA-N 0 0 308.353 0.792 50 0 DCAARN O=C(COc1ccc(F)cc1)N1CC(CN2C(=O)CCC2=O)C1 ZINC000618255488 396942736 /nfs/dbraw/zinc/94/27/36/396942736.db2.gz DFZAGKZYAVUOHX-UHFFFAOYSA-N 0 0 320.320 0.812 50 0 DCAARN Cc1nnsc1C(=O)NCCN1C(=O)c2cccnc2C1=O ZINC000390830787 397302868 /nfs/dbraw/zinc/30/28/68/397302868.db2.gz NLIKNIKIKOAGKG-UHFFFAOYSA-N 0 0 317.330 0.268 50 0 DCAARN CCOC(=O)N1CCN(C(=O)[C@@H]2CCCCn3nnnc32)CC1 ZINC000097773244 285816563 /nfs/dbraw/zinc/81/65/63/285816563.db2.gz SWRAUTZSZITISK-LLVKDONJSA-N 0 0 322.369 0.241 50 0 DCAARN CN(C)S(=O)(=O)CCN1CCC[C@](O)(C(F)(F)F)C1 ZINC000407950242 289243306 /nfs/dbraw/zinc/24/33/06/289243306.db2.gz JECXEQDPRBLQIP-SECBINFHSA-N 0 0 304.334 0.267 50 0 DCAARN COc1cccc([C@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000004761130 286468805 /nfs/dbraw/zinc/46/88/05/286468805.db2.gz GKIFPMFCJIHZNO-LLVKDONJSA-N 0 0 315.329 0.567 50 0 DCAARN COc1nn(C)cc1C(=O)Nc1nnc(-c2cc(C)nn2C)o1 ZINC000036709532 286578733 /nfs/dbraw/zinc/57/87/33/286578733.db2.gz KRQJABRTPFQILH-UHFFFAOYSA-N 0 0 317.309 0.773 50 0 DCAARN CN(C)c1ncnc2c1ncn2C[C@H]1CCCS(=O)(=O)C1 ZINC000328847711 159034202 /nfs/dbraw/zinc/03/42/02/159034202.db2.gz SSALNIOXURBFTQ-SNVBAGLBSA-N 0 0 309.395 0.717 50 0 DCAARN CC[C@@H]1CN(S(=O)(=O)[C@H]2CCOC2)C[C@@H]1N1CCOCC1 ZINC000330291782 159157615 /nfs/dbraw/zinc/15/76/15/159157615.db2.gz CYJMOMVIIGHYFL-RDBSUJKOSA-N 0 0 318.439 0.148 50 0 DCAARN C[C@@H](O)C(=O)N1CCN(c2ccncc2Br)CC1 ZINC000408004216 160008513 /nfs/dbraw/zinc/00/85/13/160008513.db2.gz JXBIGWWLBNPPCL-SECBINFHSA-N 0 0 314.183 0.874 50 0 DCAARN COCCN(C)S(=O)(=O)N[C@@H](C)CN(C)c1ccccc1 ZINC000071897425 292435123 /nfs/dbraw/zinc/43/51/23/292435123.db2.gz XQVBADHLOOWOLZ-ZDUSSCGKSA-N 0 0 315.439 0.924 50 0 DCAARN C[C@@H]1CCN(c2cc(N3CC[C@H](C)[C@H](O)C3)ncn2)C[C@@H]1O ZINC000128994614 196010710 /nfs/dbraw/zinc/01/07/10/196010710.db2.gz RXJJRYAHUHAZLE-LVEBTZEWSA-N 0 0 306.410 0.891 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)c2ccc(C(C)=O)s2)CC1 ZINC000025231882 415162478 /nfs/dbraw/zinc/16/24/78/415162478.db2.gz LEIJGNJCYLOYHV-UHFFFAOYSA-N 0 0 323.418 0.891 50 0 DCAARN Cn1c2sc(NCC(=O)C(C)(C)C)nc2c(=O)n(C)c1=O ZINC000006692880 415133329 /nfs/dbraw/zinc/13/33/29/415133329.db2.gz PNPWSFHNSHBNHV-UHFFFAOYSA-N 0 0 310.379 0.721 50 0 DCAARN CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000007689581 415140672 /nfs/dbraw/zinc/14/06/72/415140672.db2.gz PABNCAVMYITNFJ-SECBINFHSA-N 0 0 313.379 0.448 50 0 DCAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NC3CC3)[C@@H]4C2=O)no1 ZINC000009134519 415146205 /nfs/dbraw/zinc/14/62/05/415146205.db2.gz QNXVVHRREVQGSO-XNIJJKJLSA-N 0 0 315.329 0.548 50 0 DCAARN C/C=C/CN1N=C(C)Cn2c1nc1c2c(=O)n(CC)c(=O)n1C ZINC000010328993 415148774 /nfs/dbraw/zinc/14/87/74/415148774.db2.gz LAZWNVKSJOHQGT-FNORWQNLSA-N 0 0 316.365 0.689 50 0 DCAARN CCOC(=O)CN1c2ccccc2C(=O)N2C[C@@H](O)C[C@H]2C1=O ZINC000012902352 415149517 /nfs/dbraw/zinc/14/95/17/415149517.db2.gz PCXIUDUAIJGXIX-GWCFXTLKSA-N 0 0 318.329 0.172 50 0 biogenic DCAARN CC(C)C[C@@H](CNc1ccc2nnnn2n1)N1CCOCC1 ZINC000026146255 415166471 /nfs/dbraw/zinc/16/64/71/415166471.db2.gz NZWKJJSOMPORQB-LBPRGKRZSA-N 0 0 305.386 0.678 50 0 DCAARN C[C@@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)[C@@H]1CCCO1 ZINC000027891891 415172106 /nfs/dbraw/zinc/17/21/06/415172106.db2.gz DSLKDYUAQQDANK-PWSUYJOCSA-N 0 0 319.365 0.204 50 0 DCAARN C[C@H](OC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)C(N)=O ZINC000027791388 415172701 /nfs/dbraw/zinc/17/27/01/415172701.db2.gz SAPLNNWKGZGFEL-ZETCQYMHSA-N 0 0 309.253 0.059 50 0 DCAARN COc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)ccc1OCC(N)=O ZINC000027872965 415174114 /nfs/dbraw/zinc/17/41/14/415174114.db2.gz ILYPSAZMLPLLKQ-JQWIXIFHSA-N 0 0 322.361 0.857 50 0 DCAARN CN1CC[C@H](C(=O)N2CCN(Cc3ccccn3)CC2)CC1=O ZINC000044336613 415219338 /nfs/dbraw/zinc/21/93/38/415219338.db2.gz MEPMLRPDPHQFRG-AWEZNQCLSA-N 0 0 316.405 0.594 50 0 DCAARN Cn1cc(S(=O)(=O)NCc2cccnc2-n2cccn2)cn1 ZINC000044937374 415234734 /nfs/dbraw/zinc/23/47/34/415234734.db2.gz QQVAOVSKSIUCJY-UHFFFAOYSA-N 0 0 318.362 0.479 50 0 DCAARN COc1cccc(CCNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000044945852 415234801 /nfs/dbraw/zinc/23/48/01/415234801.db2.gz ZZAZTRMYCNCQKK-GFCCVEGCSA-N 0 0 312.391 0.724 50 0 DCAARN C[C@H](C(=O)NCCN1CCc2ccccc2C1)S(C)(=O)=O ZINC000044952176 415239005 /nfs/dbraw/zinc/23/90/05/415239005.db2.gz FWTCKUNVHDHLOF-GFCCVEGCSA-N 0 0 310.419 0.594 50 0 DCAARN CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000045165520 415242760 /nfs/dbraw/zinc/24/27/60/415242760.db2.gz AAYZVMXOAUUVJF-UHFFFAOYSA-N 0 0 311.407 0.372 50 0 DCAARN O=C(COC1CCCCC1)N1CCC2(CC1)NC(=O)NC2=O ZINC000045037610 415243630 /nfs/dbraw/zinc/24/36/30/415243630.db2.gz SMCUWRBQFGZWII-UHFFFAOYSA-N 0 0 309.366 0.536 50 0 DCAARN COCCn1cc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)cn1 ZINC000045674122 415251778 /nfs/dbraw/zinc/25/17/78/415251778.db2.gz OXYZSFXTWQIZKN-SNVBAGLBSA-N 0 0 316.383 0.086 50 0 DCAARN C[C@H]1CCCCN1S(=O)(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000045799254 415252019 /nfs/dbraw/zinc/25/20/19/415252019.db2.gz SNUKNPQDMMFTGL-AAEUAGOBSA-N 0 0 311.407 0.922 50 0 DCAARN Cc1ccsc1CNC(=O)NC1CCN(CC(N)=O)CC1 ZINC000045866680 415252446 /nfs/dbraw/zinc/25/24/46/415252446.db2.gz CRTIKUHRRCBURF-UHFFFAOYSA-N 0 0 310.423 0.805 50 0 DCAARN C[C@@H]1CNc2ncnc(N3CCN(S(C)(=O)=O)CC3)c2C1 ZINC000046087812 415257097 /nfs/dbraw/zinc/25/70/97/415257097.db2.gz RPAWNUYNRCJDOH-JTQLQIEISA-N 0 0 311.411 0.162 50 0 DCAARN COc1ccccc1[C@H](O)CNC(=O)N[C@@H](C)c1nncn1C ZINC000046962897 415263391 /nfs/dbraw/zinc/26/33/91/415263391.db2.gz HFBDFJDUPSIRHJ-CMPLNLGQSA-N 0 0 319.365 0.918 50 0 DCAARN CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2F)C1=O ZINC000047359135 415271496 /nfs/dbraw/zinc/27/14/96/415271496.db2.gz YUXWRTHCMZXALA-AWEZNQCLSA-N 0 0 311.288 0.868 50 0 DCAARN Cn1ncc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c1-n1cccc1 ZINC000044724124 415223902 /nfs/dbraw/zinc/22/39/02/415223902.db2.gz BKHAMLYEQJTZIR-LLVKDONJSA-N 0 0 322.390 0.375 50 0 DCAARN Cc1cccc(OCCCNC(=O)CC[C@H]2NC(=O)NC2=O)c1 ZINC000044890566 415228185 /nfs/dbraw/zinc/22/81/85/415228185.db2.gz YSUVUXOKETXEOL-CYBMUJFWSA-N 0 0 319.361 0.868 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000044894783 415229715 /nfs/dbraw/zinc/22/97/15/415229715.db2.gz KGIKJVUPDROMIJ-GXSJLCMTSA-N 0 0 308.359 0.416 50 0 DCAARN Cc1ccc2nc(CN(CC(N)=O)CC(C)C)cc(=O)n2c1 ZINC000044898688 415231119 /nfs/dbraw/zinc/23/11/19/415231119.db2.gz ADUKPPFXDZAOFX-UHFFFAOYSA-N 0 0 302.378 0.946 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)cc1 ZINC000044910747 415231483 /nfs/dbraw/zinc/23/14/83/415231483.db2.gz BXWODIQGKAEIJW-GHMZBOCLSA-N 0 0 312.391 0.844 50 0 DCAARN Cc1cc(C(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)no1 ZINC000044916325 415232247 /nfs/dbraw/zinc/23/22/47/415232247.db2.gz HGQQYMZWOJBROP-GXTWGEPZSA-N 0 0 309.366 0.450 50 0 DCAARN CN(C(=O)c1ccnc(-n2ccnc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000048224351 415286280 /nfs/dbraw/zinc/28/62/80/415286280.db2.gz FEJALDUBHKGUMI-GFCCVEGCSA-N 0 0 320.374 0.526 50 0 DCAARN CCN(C[C@@H]1CCOC1)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000048263323 415288529 /nfs/dbraw/zinc/28/85/29/415288529.db2.gz LCWZZGRGWWJDMH-LBPRGKRZSA-N 0 0 318.439 0.543 50 0 DCAARN Cc1cc(C)n(C[C@H](C)CNC(=O)CC[C@H]2NC(=O)NC2=O)n1 ZINC000048410041 415290726 /nfs/dbraw/zinc/29/07/26/415290726.db2.gz DNOGFUGOCIWLFK-BXKDBHETSA-N 0 0 321.381 0.240 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H]2CS[C@@]3(C)CSCC(=O)N23)CCO1 ZINC000071815238 415408263 /nfs/dbraw/zinc/40/82/63/415408263.db2.gz HNXNBDBLAQGOBB-NRUUGDAUSA-N 0 0 316.448 0.641 50 0 DCAARN Cn1nnnc1SCCNC(=O)c1ccc2cccnc2n1 ZINC000067641701 415379928 /nfs/dbraw/zinc/37/99/28/415379928.db2.gz RRIHNDKTGAQILN-UHFFFAOYSA-N 0 0 315.362 0.675 50 0 DCAARN Cc1nc(NCCNC(=O)[C@@H]2CCCO2)cc(-n2cccn2)n1 ZINC000067629476 415380951 /nfs/dbraw/zinc/38/09/51/415380951.db2.gz KTFAZHWQQOKLMM-LBPRGKRZSA-N 0 0 316.365 0.678 50 0 DCAARN COC(=O)[C@@H]1C[C@H](NC(=O)c2cccc3[nH]c(C)nc32)CN1C ZINC000067789114 415384875 /nfs/dbraw/zinc/38/48/75/415384875.db2.gz IFMPYCAGDMHRFW-GWCFXTLKSA-N 0 0 316.361 0.847 50 0 DCAARN CC(C)Cc1cc(C(=O)N2CCNC(=O)[C@H]2C(C)C)nc(N)n1 ZINC000067833349 415385640 /nfs/dbraw/zinc/38/56/40/415385640.db2.gz FPXVWWIEZWVJTL-CYBMUJFWSA-N 0 0 319.409 0.854 50 0 DCAARN CCc1cc(CN(C)C(=O)Cn2cc(C)c(=O)[nH]c2=O)on1 ZINC000067834491 415387366 /nfs/dbraw/zinc/38/73/66/415387366.db2.gz UDMSCJCPDYEIBT-UHFFFAOYSA-N 0 0 306.322 0.054 50 0 DCAARN C[C@@](O)(CNC(=O)C(=O)NCCc1ccccc1)c1ccco1 ZINC000075156263 415437435 /nfs/dbraw/zinc/43/74/35/415437435.db2.gz PENNVAMMNRVUTO-QGZVFWFLSA-N 0 0 316.357 0.962 50 0 DCAARN CCc1ccc(NC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1 ZINC000075110453 415437748 /nfs/dbraw/zinc/43/77/48/415437748.db2.gz TXLLQSUPBAUNJJ-UHFFFAOYSA-N 0 0 322.390 0.900 50 0 DCAARN CC[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1N1CCOCC1 ZINC000084735959 415502213 /nfs/dbraw/zinc/50/22/13/415502213.db2.gz ZTWHLODCEUEELM-RYUDHWBXSA-N 0 0 305.382 0.242 50 0 DCAARN NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2nccn2c1 ZINC000092028631 415538987 /nfs/dbraw/zinc/53/89/87/415538987.db2.gz QIJRZSRDVOAMQY-AWEZNQCLSA-N 0 0 324.340 0.866 50 0 DCAARN CNS(=O)(=O)CCNC(=O)c1cc(-c2ccccc2O)n[nH]1 ZINC000095366302 415554450 /nfs/dbraw/zinc/55/44/50/415554450.db2.gz UZUFRNBZZVGRDK-UHFFFAOYSA-N 0 0 324.362 0.061 50 0 DCAARN CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1cccnc1)C2 ZINC000095372574 415555521 /nfs/dbraw/zinc/55/55/21/415555521.db2.gz WJMWYBKHFUFQJV-UONOGXRCSA-N 0 0 323.418 0.507 50 0 DCAARN NC(=O)c1cc([C@@H]2CCCN(C(=O)NC[C@H]3CCCO3)C2)n[nH]1 ZINC000095410058 415556809 /nfs/dbraw/zinc/55/68/09/415556809.db2.gz JAZCUTKJNAJYRA-GHMZBOCLSA-N 0 0 321.381 0.577 50 0 DCAARN Cc1cnc(CNC(=O)c2cc(S(N)(=O)=O)ccc2F)cn1 ZINC000095382034 415558016 /nfs/dbraw/zinc/55/80/16/415558016.db2.gz DKNAFQBRUCYJQL-UHFFFAOYSA-N 0 0 324.337 0.502 50 0 DCAARN C[C@H](CNC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)Cn1cccn1 ZINC000095426881 415559808 /nfs/dbraw/zinc/55/98/08/415559808.db2.gz KQLPTBKODVSGLH-RDBSUJKOSA-N 0 0 319.409 0.972 50 0 DCAARN NC(=O)N1CCC[C@H]1COC(=O)c1ccnc(-n2ccnc2)c1 ZINC000095942877 415564338 /nfs/dbraw/zinc/56/43/38/415564338.db2.gz WTYVASMMXVDOIO-LBPRGKRZSA-N 0 0 315.333 0.967 50 0 DCAARN CN(C)c1ccnc(NC(=O)NCC(C)(C)N2CCOCC2)n1 ZINC000095996407 415567489 /nfs/dbraw/zinc/56/74/89/415567489.db2.gz GUMATLZYEWZVMZ-UHFFFAOYSA-N 0 0 322.413 0.775 50 0 DCAARN CCc1ncnc(N2CCC[C@H]2C(=O)N2CCN(C)CC2)c1F ZINC000095981527 415568811 /nfs/dbraw/zinc/56/88/11/415568811.db2.gz NBBDZLDURNJAHW-ZDUSSCGKSA-N 0 0 321.400 0.921 50 0 DCAARN C[C@H]1CN(C(=O)CCC(F)(F)F)CCN1S(C)(=O)=O ZINC000095989042 415570104 /nfs/dbraw/zinc/57/01/04/415570104.db2.gz RRHDNZLVWLEJBI-QMMMGPOBSA-N 0 0 302.318 0.821 50 0 DCAARN O=C(Nc1ccnc2ncnn21)c1ccccc1-n1ccnn1 ZINC000096009660 415571500 /nfs/dbraw/zinc/57/15/00/415571500.db2.gz OLXUKOQDUZDKIE-UHFFFAOYSA-N 0 0 306.289 0.957 50 0 DCAARN Cn1ncc(C(=O)N2CCC3(C2)OCCO3)c1Br ZINC000096012388 415573694 /nfs/dbraw/zinc/57/36/94/415573694.db2.gz KRIVRUGEPYJHMU-UHFFFAOYSA-N 0 0 316.155 0.772 50 0 DCAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCCc1ccccn1 ZINC000103031634 415605894 /nfs/dbraw/zinc/60/58/94/415605894.db2.gz ITDWLNYRIYQKJI-OKILXGFUSA-N 0 0 313.357 0.692 50 0 DCAARN CCN(C(=O)CCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)NC1=O ZINC000103399407 415617235 /nfs/dbraw/zinc/61/72/35/415617235.db2.gz VLUOBEDZPPVQLY-LLVKDONJSA-N 0 0 318.329 0.612 50 0 DCAARN Cc1nn(C)c(=O)c(C(=O)Nc2nc(C(C)C)nn2C)c1C ZINC000096407240 415577973 /nfs/dbraw/zinc/57/79/73/415577973.db2.gz MPUAXOMUVKEIQB-UHFFFAOYSA-N 0 0 304.354 0.901 50 0 DCAARN CN(C)C(=O)N1CC[N@H+](Cc2ccccc2C(=O)[O-])C[C@@H](O)C1 ZINC000097099486 415579246 /nfs/dbraw/zinc/57/92/46/415579246.db2.gz NEALVPWZCGQFHD-CYBMUJFWSA-N 0 0 321.377 0.545 50 0 DCAARN CCS(=O)(=O)NC1CCN(c2ncnc3c2cnn3C)CC1 ZINC000097123750 415585856 /nfs/dbraw/zinc/58/58/56/415585856.db2.gz PWVDWBVQSCSWJR-UHFFFAOYSA-N 0 0 324.410 0.271 50 0 DCAARN CN1CCN(c2cncc(C(=O)N3CCCC3)n2)C[C@H]1CCO ZINC000106979287 415655876 /nfs/dbraw/zinc/65/58/76/415655876.db2.gz COPKZMDXWPDYSL-CYBMUJFWSA-N 0 0 319.409 0.215 50 0 DCAARN O=C(CN1CCOCC1=O)NC1(Cc2ccc(F)cc2)CC1 ZINC000333971945 415776421 /nfs/dbraw/zinc/77/64/21/415776421.db2.gz WPYAUBADOVNULJ-UHFFFAOYSA-N 0 0 306.337 0.876 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)NCc1cc2ccccc2[nH]1 ZINC000122660512 415834431 /nfs/dbraw/zinc/83/44/31/415834431.db2.gz IDCRSUFYEBZTDZ-LBPRGKRZSA-N 0 0 300.318 0.772 50 0 DCAARN CC(C)c1noc(CCNS(=O)(=O)[C@@H]2CCO[C@@H]2C)n1 ZINC000135603330 415961248 /nfs/dbraw/zinc/96/12/48/415961248.db2.gz ROOBAJVLYJVBNQ-NXEZZACHSA-N 0 0 303.384 0.832 50 0 DCAARN NS(=O)(=O)C[C@H]1CCN(C(=O)Cc2[nH]nc3ccccc32)C1 ZINC000299755578 416064768 /nfs/dbraw/zinc/06/47/68/416064768.db2.gz FVFZDKKUQGVRCU-JTQLQIEISA-N 0 0 322.390 0.242 50 0 DCAARN COCC(=O)N1CC[C@@H](NC(=O)c2ccc(O)c(C)c2)[C@H](O)C1 ZINC000299774732 416065698 /nfs/dbraw/zinc/06/56/98/416065698.db2.gz HUSKGTBYWCLXOQ-TZMCWYRMSA-N 0 0 322.361 0.039 50 0 DCAARN Cc1ccnn1CCC(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299764433 416066205 /nfs/dbraw/zinc/06/62/05/416066205.db2.gz WEOXYYVRIVKVMV-KBPBESRZSA-N 0 0 316.365 0.546 50 0 DCAARN COCCc1noc(CN2CC[C@H]3[C@H](C2)OCc2cnnn23)n1 ZINC000299782313 416067107 /nfs/dbraw/zinc/06/71/07/416067107.db2.gz YCAOFZSGMSQUTG-RYUDHWBXSA-N 0 0 320.353 0.196 50 0 DCAARN CC(=O)N[C@H](C(=O)NCc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000299780703 416068000 /nfs/dbraw/zinc/06/80/00/416068000.db2.gz BUUOBOOLGZABKB-ZDUSSCGKSA-N 0 0 316.365 0.644 50 0 DCAARN CCC(C)(C)NC(=O)CN1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299787636 416069194 /nfs/dbraw/zinc/06/91/94/416069194.db2.gz PZFUQGJZTLCRLB-QWHCGFSZSA-N 0 0 307.398 0.729 50 0 DCAARN CCN(C(=O)c1nn2cc(C)cnc2c1Cl)[C@H]1COC[C@@H]1O ZINC000299793593 416069702 /nfs/dbraw/zinc/06/97/02/416069702.db2.gz HJBKAZKZDFMGMA-UWVGGRQHSA-N 0 0 324.768 0.913 50 0 DCAARN NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccc3c(c2)CCCO3)C1 ZINC000299799363 416070544 /nfs/dbraw/zinc/07/05/44/416070544.db2.gz RSZHSWODBLHNJZ-NSHDSACASA-N 0 0 324.402 0.762 50 0 DCAARN O=C(c1ncc(F)cc1F)N1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299800096 416072083 /nfs/dbraw/zinc/07/20/83/416072083.db2.gz ZXUDAQXORPBTET-NWDGAFQWSA-N 0 0 321.287 0.937 50 0 DCAARN O=C(NCC1(CO)CCOCC1)c1ccc(-c2nc[nH]n2)cc1 ZINC000186223570 416256865 /nfs/dbraw/zinc/25/68/65/416256865.db2.gz IUFXAAPWGPXDTN-UHFFFAOYSA-N 0 0 316.361 0.991 50 0 DCAARN CCc1cc(=O)[nH]c(S[C@@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC000189438489 416266685 /nfs/dbraw/zinc/26/66/85/416266685.db2.gz UAXHHKCPZBZYEV-LLVKDONJSA-N 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RXXRTRMOZUBNFC-LBPRGKRZSA-N 0 0 324.450 0.929 50 0 DCAARN O=C([O-])C[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000238162994 416329766 /nfs/dbraw/zinc/32/97/66/416329766.db2.gz YXYFMOOZVUQEFG-AWEZNQCLSA-N 0 0 303.362 0.494 50 0 DCAARN C[C@@H](CC(=O)c1ccco1)NC(=O)CNS(=O)(=O)C1CC1 ZINC000241367970 416330102 /nfs/dbraw/zinc/33/01/02/416330102.db2.gz MIVHDRJSAIYKQT-VIFPVBQESA-N 0 0 314.363 0.439 50 0 DCAARN Cc1cccc2[nH]c(CCN(C)C(=O)CCn3cnnn3)nc21 ZINC000244574956 416330550 /nfs/dbraw/zinc/33/05/50/416330550.db2.gz CUHVVOWZDFJTGS-UHFFFAOYSA-N 0 0 313.365 0.949 50 0 DCAARN Cc1cnc(C(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244659680 416330974 /nfs/dbraw/zinc/33/09/74/416330974.db2.gz HHBQVAONDSYKFS-SUHUHFCYSA-N 0 0 301.350 0.761 50 0 DCAARN CC(C)N(C)S(=O)(=O)N1CSC[C@H]1C(=O)NCC1CC1 ZINC000245391623 416331016 /nfs/dbraw/zinc/33/10/16/416331016.db2.gz QWTCDFMPVGLEGN-NSHDSACASA-N 0 0 321.468 0.473 50 0 DCAARN COCCOCCS(=O)(=O)N1c2ccccc2C[C@H]1CO ZINC000585119187 416518975 /nfs/dbraw/zinc/51/89/75/416518975.db2.gz VWOGHTCTQLPTKO-ZDUSSCGKSA-N 0 0 315.391 0.403 50 0 DCAARN CCCn1[nH]ccc1=NC(=O)CN1CCc2cncnc2C1 ZINC000588078953 416520721 /nfs/dbraw/zinc/52/07/21/416520721.db2.gz YAKBKMZZSUSPOU-UHFFFAOYSA-N 0 0 300.366 0.502 50 0 DCAARN Cc1nn(C)c2nc(C)cc(C(=O)NCc3nc(N)n[nH]3)c12 ZINC000426369170 416763756 /nfs/dbraw/zinc/76/37/56/416763756.db2.gz KCGRQJAPCWTYQP-UHFFFAOYSA-N 0 0 300.326 0.215 50 0 DCAARN O=C(/C=C/c1ccco1)N1CCC(N2C(=O)COCC2=O)CC1 ZINC000575617955 417541193 /nfs/dbraw/zinc/54/11/93/417541193.db2.gz BTDHWBDDVDAVBT-ONEGZZNKSA-N 0 0 318.329 0.669 50 0 DCAARN Cc1cc(NC(=O)C2CN(c3cc(-n4ccnc4)ncn3)C2)n[nH]1 ZINC000575609763 417541736 /nfs/dbraw/zinc/54/17/36/417541736.db2.gz PROMEWNJGQMJQG-UHFFFAOYSA-N 0 0 324.348 0.769 50 0 DCAARN Cc1nc(N)ncc1C(=O)N1CCN(C2CCCC2)C(=O)C1 ZINC000299787148 229442274 /nfs/dbraw/zinc/44/22/74/229442274.db2.gz PKLLVUDDMRBDIB-UHFFFAOYSA-N 0 0 303.366 0.594 50 0 DCAARN O=C(c1cc(=O)[n-]o1)N1CCN(c2cc[nH+]cc2)C[C@H](O)C1 ZINC000097694661 304503087 /nfs/dbraw/zinc/50/30/87/304503087.db2.gz CXPURFCOTIKJTJ-NSHDSACASA-N 0 0 304.306 0.099 50 0 DCAARN CC(C)(CN1CCOCC1)NC(=O)c1ccc(C(N)=O)cc1 ZINC000413971337 262230431 /nfs/dbraw/zinc/23/04/31/262230431.db2.gz ZJLWAXAREYZNQN-UHFFFAOYSA-N 0 0 305.378 0.626 50 0 DCAARN CCOC(=O)C1=C[C@]2(CC(=O)N(c3cccc(C)c3)C2=O)NN1 ZINC000000547400 276426753 /nfs/dbraw/zinc/42/67/53/276426753.db2.gz DVRNOHVFGDDCGH-MRXNPFEDSA-N 0 0 315.329 0.910 50 0 DCAARN COC(=O)CNC(=O)[C@H](C)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000044737144 277063635 /nfs/dbraw/zinc/06/36/35/277063635.db2.gz QBDAAHTXUQKVCH-FZMZJTMJSA-N 0 0 324.352 0.877 50 0 DCAARN COC(=O)[C@@H]1Cc2[nH]cnc2CN1C(=O)c1ccc(OC)o1 ZINC000020109917 277109983 /nfs/dbraw/zinc/10/99/83/277109983.db2.gz IKMFUKBECAPUGN-JTQLQIEISA-N 0 0 305.290 0.751 50 0 DCAARN COC(=O)c1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000032912486 277159187 /nfs/dbraw/zinc/15/91/87/277159187.db2.gz FJJHHUVYWKTYLN-PWSUYJOCSA-N 0 0 309.343 0.623 50 0 DCAARN COC(=O)c1ccc(N2CCN(c3ncccn3)CC2)nn1 ZINC000069532716 277433468 /nfs/dbraw/zinc/43/34/68/277433468.db2.gz UASPHORKDYTWIF-UHFFFAOYSA-N 0 0 300.322 0.380 50 0 DCAARN CC(C)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCc2nccn2C1 ZINC000373740097 277492051 /nfs/dbraw/zinc/49/20/51/277492051.db2.gz DQPXDFGXUPUONT-OLZOCXBDSA-N 0 0 304.394 0.819 50 0 DCAARN CC(C)(C)CCS(=O)(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000408103129 278319452 /nfs/dbraw/zinc/31/94/52/278319452.db2.gz KUWUTQVFVDIERP-SNVBAGLBSA-N 0 0 312.457 0.505 50 0 DCAARN Cc1cc(=O)[nH]c(NCCN2C[C@@]3(CCOC3)CCC2=O)n1 ZINC000092061935 278623501 /nfs/dbraw/zinc/62/35/01/278623501.db2.gz ZUXZCPCAPGSMAD-HNNXBMFYSA-N 0 0 306.366 0.519 50 0 DCAARN CC(C)C[C@@]1(C)NC(=O)N(CC(=O)NC(=O)NC(C)C)C1=O ZINC000003326070 279070444 /nfs/dbraw/zinc/07/04/44/279070444.db2.gz PCIFWSIWPVNMBT-CQSZACIVSA-N 0 0 312.370 0.577 50 0 DCAARN CCS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2C)cc1 ZINC000011694215 280030092 /nfs/dbraw/zinc/03/00/92/280030092.db2.gz DMTPHLLJGLRAGB-SNVBAGLBSA-N 0 0 310.375 0.441 50 0 DCAARN C[C@@H]1CN([C@H]2CCN(c3ccccc3F)C2=O)C[C@H](C(N)=O)O1 ZINC000241135396 288254091 /nfs/dbraw/zinc/25/40/91/288254091.db2.gz JOZMFILUDJVIFV-DDTOSNHZSA-N 0 0 321.352 0.506 50 0 DCAARN CN(C(=O)[C@H]1CCCCC(=O)N1)C(C)(C)CN1CCOCC1 ZINC000408520875 288905988 /nfs/dbraw/zinc/90/59/88/288905988.db2.gz VJZLMZDCAHPOMR-CYBMUJFWSA-N 0 0 311.426 0.614 50 0 DCAARN CN(C)[C@@H](C(=O)N1CC(N2CCOCC2)C1)c1ccccc1F ZINC000092038962 289271120 /nfs/dbraw/zinc/27/11/20/289271120.db2.gz GLSXMUPTWNOXLC-MRXNPFEDSA-N 0 0 321.396 0.971 50 0 DCAARN C[C@H](C(=O)N1CCN(C)C[C@@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000089937810 289284076 /nfs/dbraw/zinc/28/40/76/289284076.db2.gz LPLKMPANGXDRTJ-NWDGAFQWSA-N 0 0 322.409 0.402 50 0 DCAARN COc1cc(OC)c(CN2CC[C@@H]([NH3+])[C@@H](OC)C2)c(C(=O)[O-])c1 ZINC000071760886 295006029 /nfs/dbraw/zinc/00/60/29/295006029.db2.gz UQOVISXNANEJCR-HIFRSBDPSA-N 0 0 324.377 0.950 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCOC[C@@H]2C)cc1C(N)=O ZINC000026845277 295192799 /nfs/dbraw/zinc/19/27/99/295192799.db2.gz ATLRCIYUIKEBOL-VIFPVBQESA-N 0 0 314.363 0.204 50 0 DCAARN COc1ccccc1[C@@H](C)N(C)CC(=O)N1CCNC(=O)C1 ZINC000065549209 295380421 /nfs/dbraw/zinc/38/04/21/295380421.db2.gz LNYGYQFYQMPYET-GFCCVEGCSA-N 0 0 305.378 0.646 50 0 DCAARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000241701733 297660312 /nfs/dbraw/zinc/66/03/12/297660312.db2.gz QKTYLFCIFJBHLI-KWBADKCTSA-N 0 0 311.359 0.518 50 0 DCAARN Cc1cnc(C(=O)N2CC3(C[C@@H]2C(=O)[O-])CC[NH2+]CC3)cn1 ZINC000072128841 302331566 /nfs/dbraw/zinc/33/15/66/302331566.db2.gz LZUXGEIRGBKQGT-GFCCVEGCSA-N 0 0 304.350 0.454 50 0 DCAARN Cn1cccc1[C@H]1COCCN1Cc1cc(=O)n2nccc2[nH]1 ZINC000131719005 302985143 /nfs/dbraw/zinc/98/51/43/302985143.db2.gz UZYUJJZUIQQCBC-CQSZACIVSA-N 0 0 313.361 0.935 50 0 DCAARN CC(C)CN(CC(N)=O)S(=O)(=O)c1ncn(C)c1Cl ZINC000030337207 331619769 /nfs/dbraw/zinc/61/97/69/331619769.db2.gz GIWHRFUMLUQDGU-UHFFFAOYSA-N 0 0 308.791 0.206 50 0 DCAARN CO[C@H]1COC[C@@H]1NS(=O)(=O)CCOc1ccc(C)cc1 ZINC000534587730 334292682 /nfs/dbraw/zinc/29/26/82/334292682.db2.gz NRGNVUDUWMPGHY-KBPBESRZSA-N 0 0 315.391 0.707 50 0 DCAARN C[C@@H](CNS(=O)(=O)C1CC1)[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000534651128 334311935 /nfs/dbraw/zinc/31/19/35/334311935.db2.gz FFGKZDIOZGBZNS-JTQLQIEISA-N 0 0 312.391 0.945 50 0 DCAARN CCN(C(=O)NCc1noc(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000534653330 334312828 /nfs/dbraw/zinc/31/28/28/334312828.db2.gz ITCRCZLWEOGGNO-VIFPVBQESA-N 0 0 302.356 0.097 50 0 DCAARN COC[C@H](C)NC(=O)c1cccc(-c2cc(N)nc(N)n2)c1 ZINC000534666978 334319145 /nfs/dbraw/zinc/31/91/45/334319145.db2.gz NSSBZJNLCDDSKM-VIFPVBQESA-N 0 0 301.350 0.733 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@H]2CCNC2=O)c2c1CCCC2 ZINC000534672380 334320977 /nfs/dbraw/zinc/32/09/77/334320977.db2.gz NSCBFLJWZDITOY-LBPRGKRZSA-N 0 0 324.402 0.741 50 0 DCAARN Cc1nc(CN2CCN(C(=O)[C@H]3CSCN3)CC2)oc1C ZINC000167517807 534356137 /nfs/dbraw/zinc/35/61/37/534356137.db2.gz AQNCAIMQUVCASZ-GFCCVEGCSA-N 0 0 310.423 0.598 50 0 DCAARN COC[C@@H](NC(=O)N1CCN(c2cnccn2)CC1)C1CC1 ZINC000127155938 522326274 /nfs/dbraw/zinc/32/62/74/522326274.db2.gz GBJVDEADNQWLTO-CYBMUJFWSA-N 0 0 305.382 0.733 50 0 DCAARN CCCN1CCCN(C(=O)N[C@H]2CC[S@@](=O)C2)CC1=O ZINC000390832881 528212240 /nfs/dbraw/zinc/21/22/40/528212240.db2.gz OZKNPGBJWWBOJH-PRWKNARSSA-N 0 0 301.412 0.161 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ncccc1O ZINC000298147353 528807786 /nfs/dbraw/zinc/80/77/86/528807786.db2.gz GPKDRDRRADDXDZ-SNVBAGLBSA-N 0 0 313.379 0.930 50 0 DCAARN NS(=O)(=O)N1CCC[C@H]1C(=O)NCC1(c2ccccc2)CC1 ZINC000056390552 534972157 /nfs/dbraw/zinc/97/21/57/534972157.db2.gz YGUHBSBMKUKZGT-ZDUSSCGKSA-N 0 0 323.418 0.502 50 0 DCAARN O=C(Cn1ccnc1-c1ccccc1)N1CCOC[C@@H](O)C1 ZINC000077299954 545679088 /nfs/dbraw/zinc/67/90/88/545679088.db2.gz DABDMBLIPQMWPQ-AWEZNQCLSA-N 0 0 301.346 0.770 50 0 DCAARN Cc1cc(NC(=O)[C@H]2CCCO2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000084101983 545700399 /nfs/dbraw/zinc/70/03/99/545700399.db2.gz LMVPPCAJZQLUEH-WDEREUQCSA-N 0 0 313.379 0.669 50 0 DCAARN Cc1cnc(CN(C)[C@@H]2CCN(CCS(C)(=O)=O)C2)o1 ZINC000084258868 545700877 /nfs/dbraw/zinc/70/08/77/545700877.db2.gz UAHBQYDZUSIJFW-GFCCVEGCSA-N 0 0 301.412 0.534 50 0 DCAARN Nc1cc2c(nn1)CCN(C(=O)c1cnn(-c3ccccc3)n1)C2 ZINC000084576780 545702157 /nfs/dbraw/zinc/70/21/57/545702157.db2.gz VDDATNZJPHBTQV-UHFFFAOYSA-N 0 0 321.344 0.838 50 0 DCAARN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC1(c2cccc(F)c2)CC1 ZINC000189089533 545919565 /nfs/dbraw/zinc/91/95/65/545919565.db2.gz XOMDJDYAFOYRDL-ZIAGYGMSSA-N 0 0 306.337 0.913 50 0 DCAARN Cc1cc(=O)n(CC(=O)NCCc2csc(N)n2)nc1C ZINC000222652707 545941268 /nfs/dbraw/zinc/94/12/68/545941268.db2.gz DLCNCWZBGPLYEE-UHFFFAOYSA-N 0 0 307.379 0.258 50 0 DCAARN CC1(C)CNC(=O)[C@H]1NS(=O)(=O)CCc1ccccc1F ZINC000585094120 546303285 /nfs/dbraw/zinc/30/32/85/546303285.db2.gz CWQKEOAJXHBKHJ-GFCCVEGCSA-N 0 0 314.382 0.812 50 0 DCAARN CCOc1ccnc(N2CCC3(CC2)CC(=O)NC(=O)C3)n1 ZINC000670439142 547090687 /nfs/dbraw/zinc/09/06/87/547090687.db2.gz PTBNOHVSBHVHCV-UHFFFAOYSA-N 0 0 304.350 0.899 50 0 DCAARN O=C(CCCn1cccn1)N1CCN(Cc2nc[nH]n2)CC1 ZINC000670452028 547095988 /nfs/dbraw/zinc/09/59/88/547095988.db2.gz NKKNQWSOHAVRAC-UHFFFAOYSA-N 0 0 303.370 0.126 50 0 DCAARN O=C(c1ccc(Cn2cccn2)o1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000670456872 547097859 /nfs/dbraw/zinc/09/78/59/547097859.db2.gz UDQLTZRLHQDSLG-NSHDSACASA-N 0 0 316.317 0.801 50 0 DCAARN CCc1nc(S(=O)(=O)N(C)C[C@H]2CC(=O)N(CC)C2)c[nH]1 ZINC000670461425 547098428 /nfs/dbraw/zinc/09/84/28/547098428.db2.gz CGSMNLDFZCLFRV-SNVBAGLBSA-N 0 0 314.411 0.461 50 0 DCAARN CC(C)C1=NO[C@H](C(=O)N2CCN(Cc3nc[nH]n3)CC2)C1 ZINC000670461394 547098813 /nfs/dbraw/zinc/09/88/13/547098813.db2.gz GHHLNNVGZZSPRL-LBPRGKRZSA-N 0 0 306.370 0.250 50 0 DCAARN Cc1nc(CN(C)C(=O)c2cccnc2N2CCOCC2)no1 ZINC000679725870 548087235 /nfs/dbraw/zinc/08/72/35/548087235.db2.gz UWLFKWVKIRSNPZ-UHFFFAOYSA-N 0 0 317.349 0.882 50 0 DCAARN CCc1ccoc1C(=O)N1CC(N2C[C@@H](C(=O)NC)CC2=O)C1 ZINC000685941919 548746709 /nfs/dbraw/zinc/74/67/09/548746709.db2.gz JJNDLCXXBAXAEH-NSHDSACASA-N 0 0 319.361 0.261 50 0 DCAARN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cccc(F)c3)C2)C1 ZINC000685942126 548747556 /nfs/dbraw/zinc/74/75/56/548747556.db2.gz LGSCYDXKRJVTNH-LLVKDONJSA-N 0 0 319.336 0.245 50 0 DCAARN COCCNC(=O)C(=O)NCC[C@@H](CCO)c1ccccc1 ZINC000206628313 563622744 /nfs/dbraw/zinc/62/27/44/563622744.db2.gz NFAGRIVQEFNGHQ-AWEZNQCLSA-N 0 0 308.378 0.422 50 0 DCAARN COc1ccc(C[C@@](C)(O)CNC(=O)c2cn(C)nn2)cc1 ZINC000206706215 563635509 /nfs/dbraw/zinc/63/55/09/563635509.db2.gz HTPMBBOMEJFJGV-OAHLLOKOSA-N 0 0 304.350 0.547 50 0 DCAARN Cc1cnn(C[C@@H](C)NC(=O)N[C@H]2CCc3c(nnn3C)C2)c1 ZINC000888094049 661158245 /nfs/dbraw/zinc/15/82/45/661158245.db2.gz ZIMYMNOAQGDSTC-NEPJUHHUSA-N 0 0 317.397 0.565 50 0 DCAARN NC(=O)c1cccc2c1CCN(C(=O)N[C@@H]1CC[S@](=O)C1)C2 ZINC000888101599 661180439 /nfs/dbraw/zinc/18/04/39/661180439.db2.gz HCMHLCXEZGHMJQ-XFNZEKPQSA-N 0 0 321.402 0.374 50 0 DCAARN CN1C[C@@H](NC(=O)c2cnc(C(F)(F)F)nc2)CCC1=O ZINC000188173534 659328964 /nfs/dbraw/zinc/32/89/64/659328964.db2.gz ARZVNLPOJZVVCX-QMMMGPOBSA-N 0 0 302.256 0.846 50 0 DCAARN Cc1nnc(CN2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)[nH]1 ZINC000299764900 659639074 /nfs/dbraw/zinc/63/90/74/659639074.db2.gz VZUMTZVGOLSDIU-XFMPKHEZSA-N 0 0 308.382 0.101 50 0 DCAARN Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)C2CC(=O)C2)cn1 ZINC000585087515 661464872 /nfs/dbraw/zinc/46/48/72/661464872.db2.gz BXTJUGXLTUUQEU-GFCCVEGCSA-N 0 0 304.350 0.120 50 0 DCAARN CCOC[C@H](O)CNC(=O)Nc1cccc(CC(=O)NC)c1 ZINC000426538248 661608075 /nfs/dbraw/zinc/60/80/75/661608075.db2.gz BDQAANDETXFVTD-CYBMUJFWSA-N 0 0 309.366 0.494 50 0 DCAARN CCCn1cc(CNS(=O)(=O)C[C@H](C)COCC)nn1 ZINC000952994582 665872149 /nfs/dbraw/zinc/87/21/49/665872149.db2.gz YVTNEMAPNBLUNJ-LLVKDONJSA-N 0 0 304.416 0.780 50 0 DCAARN COCCN1CC[C@@H](N2CCN(Cc3cccnc3)CC2)C1=O ZINC000169748580 663739587 /nfs/dbraw/zinc/73/95/87/663739587.db2.gz AOHDWOIHLYMUAJ-MRXNPFEDSA-N 0 0 318.421 0.447 50 0 DCAARN Cn1nccc1C(=O)CN1C(=O)N[C@@](C)(c2cccnc2)C1=O ZINC000848433313 664746613 /nfs/dbraw/zinc/74/66/13/664746613.db2.gz JUENDYQOFVSZHG-HNNXBMFYSA-N 0 0 313.317 0.465 50 0 DCAARN CN(C)c1nc(N)nc(CN2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000152500128 664760284 /nfs/dbraw/zinc/76/02/84/664760284.db2.gz JBXASJQTHATYJO-GFCCVEGCSA-N 0 0 315.381 0.568 50 0 DCAARN Cc1nc(CN2CCN(c3nc(C)nc4c3CNC4)CC2)no1 ZINC000072167214 666233285 /nfs/dbraw/zinc/23/32/85/666233285.db2.gz AQGNDSTWFPSHID-UHFFFAOYSA-N 0 0 315.381 0.402 50 0 DCAARN CC[C@H](COC)NC(=O)Cn1nnnc1CN1CCC(C)CC1 ZINC000012443219 666645206 /nfs/dbraw/zinc/64/52/06/666645206.db2.gz BXURZKVASIIHNH-CYBMUJFWSA-N 0 0 324.429 0.446 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN(C)OC)C1 ZINC000863948063 667197217 /nfs/dbraw/zinc/19/72/17/667197217.db2.gz YUMASFFQGFAKII-GFCCVEGCSA-N 0 0 321.443 0.048 50 0 DCAARN CCO[C@@H]1C[C@H](NC(=O)NC[C@@H]2COCO2)C12CCOCC2 ZINC000864095692 667214734 /nfs/dbraw/zinc/21/47/34/667214734.db2.gz WPJXYJCLSYZGHR-FRRDWIJNSA-N 0 0 314.382 0.633 50 0 DCAARN COC(=O)CCC(=O)N[C@H]1CCCc2nc(N(C)C)ncc21 ZINC000012572931 667441636 /nfs/dbraw/zinc/44/16/36/667441636.db2.gz ONCIJHZFSBABTE-NSHDSACASA-N 0 0 306.366 0.989 50 0 DCAARN C[C@H]1Cc2cc(NC(=O)CN3C(=O)CN(C)C3=O)ccc2O1 ZINC000827827481 668139174 /nfs/dbraw/zinc/13/91/74/668139174.db2.gz LIQYFBCIEODWOM-VIFPVBQESA-N 0 0 303.318 0.843 50 0 DCAARN C[C@@H](Cn1cncn1)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000952969072 685599229 /nfs/dbraw/zinc/59/92/29/685599229.db2.gz ASJUWKCFYRGOJR-NSHDSACASA-N 0 0 319.340 0.600 50 0 DCAARN Cc1nc(CNC(=O)c2cc(C(C)C)nc(N)n2)cc(=O)[nH]1 ZINC000952973786 685599860 /nfs/dbraw/zinc/59/98/60/685599860.db2.gz RYRPBBMVSTWTES-UHFFFAOYSA-N 0 0 302.338 0.916 50 0 DCAARN COc1ccc([C@@H](C(=O)[O-])N2CCC[N@H+](C)CC2)c(OC)n1 ZINC000095385167 685111030 /nfs/dbraw/zinc/11/10/30/685111030.db2.gz IPPISOPELHDBHO-ZDUSSCGKSA-N 0 0 309.366 0.862 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)N1CCC([C@H](O)CO)CC1 ZINC001772701216 1157840899 /nfs/dbraw/zinc/84/08/99/1157840899.db2.gz JEDONHPNQWTWED-CYBMUJFWSA-N 0 0 320.345 0.186 50 0 DCAARN COc1cccc(OC)c1CN1C[C@@H]2COC[C@H](C1)N(C)C2=O ZINC001772705579 1157844154 /nfs/dbraw/zinc/84/41/54/1157844154.db2.gz UNHKOYLNWGSQQR-OLZOCXBDSA-N 0 0 320.389 0.993 50 0 DCAARN O=C(CCc1cc(Cl)no1)N1CCC([C@H](O)CO)CC1 ZINC001772711114 1157848260 /nfs/dbraw/zinc/84/82/60/1157848260.db2.gz WLSLUAMXTIKOHE-LLVKDONJSA-N 0 0 302.758 0.852 50 0 DCAARN COc1ccc(CN2C[C@@H]3COC[C@H](C2)NC3=O)c(OC)c1C ZINC001704315399 1179970854 /nfs/dbraw/zinc/97/08/54/1179970854.db2.gz BZZPMBKOJNGFDY-KGLIPLIRSA-N 0 0 320.389 0.959 50 0 DCAARN COC(=O)N1CCCC[C@@H]1C(=O)N(CCO)Cc1ncc[nH]1 ZINC001704325239 1179974011 /nfs/dbraw/zinc/97/40/11/1179974011.db2.gz KGTAYJZGJJOYLR-LLVKDONJSA-N 0 0 310.354 0.352 50 0 DCAARN CCNC(=O)c1ccc(NCCN(C)S(C)(=O)=O)nc1 ZINC001704337896 1179978159 /nfs/dbraw/zinc/97/81/59/1179978159.db2.gz HLESAZIJPLBDBF-UHFFFAOYSA-N 0 0 300.384 0.135 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)CCN3CCOCC3)C[C@H]2O)on1 ZINC001704352071 1179982527 /nfs/dbraw/zinc/98/25/27/1179982527.db2.gz WSWOSBBKUTXORW-UKRRQHHQSA-N 0 0 323.393 0.067 50 0 DCAARN CC1(CNC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)CCCCC1 ZINC001704352790 1179983191 /nfs/dbraw/zinc/98/31/91/1179983191.db2.gz JRBKPCDXLSFIGV-LLVKDONJSA-N 0 0 320.393 0.688 50 0 DCAARN Cc1ccc(C(=O)NCCC(=O)N(C)[C@H]2COC[C@@H]2O)cc1 ZINC001704355180 1179983985 /nfs/dbraw/zinc/98/39/85/1179983985.db2.gz MTBNCDGGOZSNBL-KBPBESRZSA-N 0 0 306.362 0.333 50 0 DCAARN O=C([O-])[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(Cn2cccn2)c1 ZINC001704355944 1179984860 /nfs/dbraw/zinc/98/48/60/1179984860.db2.gz YNVKQJTZBAZBHS-CABCVRRESA-N 0 0 301.346 0.951 50 0 DCAARN O=C(NC1CCCC1)[C@@H]1Cc2[nH]cnc2C2(CCOCC2)N1 ZINC000675015643 748027061 /nfs/dbraw/zinc/02/70/61/748027061.db2.gz ZKSAJEQPFONNGA-ZDUSSCGKSA-N 0 0 304.394 0.989 50 0 DCAARN C[C@@H](O)[C@](C)(O)C(=O)NCc1nccn1CCc1ccccc1 ZINC000585121237 748527441 /nfs/dbraw/zinc/52/74/41/748527441.db2.gz JGGPPESOONTGNW-DYVFJYSZSA-N 0 0 317.389 0.874 50 0 DCAARN CCCn1cc(S(C)(=O)=O)c(=N)n(-c2ccccc2)c1=O ZINC000823026228 758219309 /nfs/dbraw/zinc/21/93/09/758219309.db2.gz AITQZFFCYJIQLF-UHFFFAOYSA-N 0 0 307.375 0.932 50 0 DCAARN CCS(=O)(=O)N1CCN(C(=O)[C@H](C)Cn2cccn2)CC1 ZINC000823413017 758246934 /nfs/dbraw/zinc/24/69/34/758246934.db2.gz LSJNMPVNISBMPM-GFCCVEGCSA-N 0 0 314.411 0.013 50 0 DCAARN CN1CC(=O)N(CC(=O)N(CC2CCC2)C[C@@H]2CCCO2)C1=O ZINC000823748539 758263773 /nfs/dbraw/zinc/26/37/73/758263773.db2.gz MTSBUJMEYWOOKN-ZDUSSCGKSA-N 0 0 323.393 0.688 50 0 DCAARN CO[C@H]1COC[C@@H]1NC(=O)COCc1nc2cc(C)ccc2[nH]1 ZINC000824506894 758778149 /nfs/dbraw/zinc/77/81/49/758778149.db2.gz ZIPVELNCUWRRCM-KBPBESRZSA-N 0 0 319.361 0.918 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCc2nc(N)cc(=O)[nH]2)c(C)c1 ZINC000825157704 758798339 /nfs/dbraw/zinc/79/83/39/758798339.db2.gz XYPQXYOQIQGYLM-UHFFFAOYSA-N 0 0 322.390 0.902 50 0 DCAARN Cc1nc(S(=O)(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cn1C ZINC000825636523 758811609 /nfs/dbraw/zinc/81/16/09/758811609.db2.gz WYKGTNPEKFSYMQ-UHFFFAOYSA-N 0 0 321.362 0.789 50 0 DCAARN CCN1C(=O)[C@H]2CC3(CN2C1=O)CCN(C(=O)N(C)C)CC3 ZINC000581803428 760253620 /nfs/dbraw/zinc/25/36/20/760253620.db2.gz LRCRJMPTBRYKNE-LLVKDONJSA-N 0 0 308.382 0.807 50 0 DCAARN CN1C[C@]2(CCOC2)N(C2CCN(C(=O)C3CC3)CC2)C1=O ZINC000581814903 760256041 /nfs/dbraw/zinc/25/60/41/760256041.db2.gz KIEFHRJBYKNMBR-INIZCTEOSA-N 0 0 307.394 0.914 50 0 DCAARN Cc1ccc(=O)n(CC2CN(c3cc(=O)n4ccccc4n3)C2)n1 ZINC000585603388 768082344 /nfs/dbraw/zinc/08/23/44/768082344.db2.gz RNMFQCISFKDONE-UHFFFAOYSA-N 0 0 323.356 0.696 50 0 DCAARN C[C@@H](OC(=O)c1cnn2ncccc12)C(=O)NCC(F)(F)F ZINC000584908617 766238329 /nfs/dbraw/zinc/23/83/29/766238329.db2.gz LHIYHLYXKBIXGT-SSDOTTSWSA-N 0 0 316.239 0.953 50 0 DCAARN O=S(=O)(c1cnc2ccsc2c1)N1CCOC[C@@H]1CO ZINC000585115264 766283983 /nfs/dbraw/zinc/28/39/83/766283983.db2.gz TTWUJCUASSJCKM-VIFPVBQESA-N 0 0 314.388 0.678 50 0 DCAARN CCOC(=O)CN(C)C1CN(C(=O)Cc2c(C)n[nH]c2C)C1 ZINC000585130418 766291939 /nfs/dbraw/zinc/29/19/39/766291939.db2.gz PPDGZXOTGAFVLU-UHFFFAOYSA-N 0 0 308.382 0.275 50 0 DCAARN Cc1nc(S(=O)(=O)NCCCOc2ncccn2)cn1C ZINC000585139368 766294611 /nfs/dbraw/zinc/29/46/11/766294611.db2.gz NPGDPBLYTXBLNZ-UHFFFAOYSA-N 0 0 311.367 0.266 50 0 DCAARN O=C(CN1CCOc2ccccc2C1)NCc1cc(=O)[nH]cn1 ZINC000952868641 768923606 /nfs/dbraw/zinc/92/36/06/768923606.db2.gz FQQRYXPUWZZZKA-UHFFFAOYSA-N 0 0 314.345 0.693 50 0 DCAARN CC1(c2nc(CC(N)=O)nn2CCc2ccccc2)COC1 ZINC000952873047 768935953 /nfs/dbraw/zinc/93/59/53/768935953.db2.gz UBVRDDIJHPPLLC-UHFFFAOYSA-N 0 0 300.362 0.837 50 0 DCAARN CNC(=O)N[C@H]1CCCN(C(=O)C2(C(=O)NC3CC3)CCC2)C1 ZINC000952881785 768948106 /nfs/dbraw/zinc/94/81/06/768948106.db2.gz JHSBVMPHUHKAPX-LBPRGKRZSA-N 0 0 322.409 0.355 50 0 DCAARN CC(C)Cc1cc(C(=O)NCc2cc(=O)[nH]cn2)[nH]c(=O)n1 ZINC000952866999 768957363 /nfs/dbraw/zinc/95/73/63/768957363.db2.gz IJCHPXJBQZQDOR-UHFFFAOYSA-N 0 0 303.322 0.806 50 0 DCAARN Cn1nc2c(c1NC(=O)C[C@H]1C(=O)N(C)C(=O)N1C)CSC2 ZINC001529095205 1014493614 /nfs/dbraw/zinc/49/36/14/1014493614.db2.gz NZWCEPDVNGPBPC-VIFPVBQESA-N 0 0 323.378 0.388 50 0 DCAARN Nc1nc(NCCc2nc(-c3ccccn3)no2)cc2nncn21 ZINC001529151822 1014506652 /nfs/dbraw/zinc/50/66/52/1014506652.db2.gz MYWAPBSIWPDLHH-UHFFFAOYSA-N 0 0 323.320 0.806 50 0 DCAARN O=C(CCn1cccn1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001529151544 1014506878 /nfs/dbraw/zinc/50/68/78/1014506878.db2.gz JULZAATZPLDKNZ-TZMCWYRMSA-N 0 0 301.350 0.125 50 0 DCAARN Cc1ccc(CN2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)o1 ZINC001529198651 1014518870 /nfs/dbraw/zinc/51/88/70/1014518870.db2.gz KIVYJLPLRHBIRG-AAEUAGOBSA-N 0 0 302.396 0.272 50 0 DCAARN Cc1ccccc1[C@@H]1[C@@H](C(=O)NCCCCO)OCC(=O)N1C ZINC001529181778 1014515829 /nfs/dbraw/zinc/51/58/29/1014515829.db2.gz PAIGYCYICNPZHB-CVEARBPZSA-N 0 0 320.389 0.782 50 0 DCAARN Cn1nc2c(c1NC(=O)[C@H]1CCCN(CC(N)=O)C1)CSC2 ZINC001506398280 1017252260 /nfs/dbraw/zinc/25/22/60/1017252260.db2.gz BBBLDOQRSOIIKY-VIFPVBQESA-N 0 0 323.422 0.303 50 0 DCAARN COC[C@@H]1CCCN(S(=O)(=O)NCC(=O)NC(C)(C)C)C1 ZINC001506396894 1017252553 /nfs/dbraw/zinc/25/25/53/1017252553.db2.gz MQTYPWBTAYXGKU-LLVKDONJSA-N 0 0 321.443 0.094 50 0 DCAARN CCCn1cnc(C(N)=O)c1NC(=O)CCc1ccnn1C ZINC001506407705 1017258331 /nfs/dbraw/zinc/25/83/31/1017258331.db2.gz RMZMDCGXHVPHOZ-UHFFFAOYSA-N 0 0 304.354 0.697 50 0 DCAARN COC[C@@H]1CCCN(S(=O)(=O)NCCc2ccncc2)C1 ZINC001506406941 1017258671 /nfs/dbraw/zinc/25/86/71/1017258671.db2.gz KPBRLJLMZQHAPZ-CQSZACIVSA-N 0 0 313.423 0.817 50 0 DCAARN Cn1c(=O)cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc21 ZINC000074715062 185011603 /nfs/dbraw/zinc/01/16/03/185011603.db2.gz UQDAVXLTADOOSY-SNVBAGLBSA-N 0 0 320.370 0.455 50 0 DCAARN O=C(NCCc1nnc[nH]1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000081763446 192322064 /nfs/dbraw/zinc/32/20/64/192322064.db2.gz PDAREHBOQONBRG-CQSZACIVSA-N 0 0 315.377 0.364 50 0 DCAARN O=C(NCCN1CCNC1=O)[C@H]1CCOc2ccccc2C1 ZINC000095510093 185376098 /nfs/dbraw/zinc/37/60/98/185376098.db2.gz DQZAVIAEVJTDGV-ZDUSSCGKSA-N 0 0 303.362 0.769 50 0 DCAARN CC[C@H](COC)NC(=O)/C=C/c1ccc(S(N)(=O)=O)cc1 ZINC000225407051 201702924 /nfs/dbraw/zinc/70/29/24/201702924.db2.gz QPFOCJNUMVQXJZ-UVMWJGKXSA-N 0 0 312.391 0.888 50 0 DCAARN NS(=O)(=O)c1cnc(N[C@@H](CO)Cc2ccccc2)s1 ZINC000078850425 185120328 /nfs/dbraw/zinc/12/03/28/185120328.db2.gz OYFKPCZEDCYFCD-SNVBAGLBSA-N 0 0 313.404 0.806 50 0 DCAARN NS(=O)(=O)C[C@H]1CCCN1CCOc1ccccc1F ZINC000079311690 185164686 /nfs/dbraw/zinc/16/46/86/185164686.db2.gz HKYXQRYBGBXXTM-LLVKDONJSA-N 0 0 302.371 0.957 50 0 DCAARN COc1ccc2nnc(CCC(=O)Nc3ccn(C)n3)n2n1 ZINC000079474200 185172752 /nfs/dbraw/zinc/17/27/52/185172752.db2.gz ONFFCRWMEJGBHF-UHFFFAOYSA-N 0 0 301.310 0.438 50 0 DCAARN CC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CSCCS2)C1=O ZINC000298207670 529415267 /nfs/dbraw/zinc/41/52/67/529415267.db2.gz JQXZOSFMZNJVHS-CPCISQLKSA-N 0 0 303.409 0.587 50 0 DCAARN CCOC(=O)[C@@H](C)CNS(=O)(=O)c1cc(C)cnc1N ZINC000089978091 185273418 /nfs/dbraw/zinc/27/34/18/185273418.db2.gz WTEFFUKQSBAWTE-VIFPVBQESA-N 0 0 301.368 0.450 50 0 DCAARN CCCc1cc(C(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)no1 ZINC000082083602 192354170 /nfs/dbraw/zinc/35/41/70/192354170.db2.gz YVNIGNHNUHIKOA-KBPBESRZSA-N 0 0 309.366 0.145 50 0 DCAARN CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCCCC3)c2C1 ZINC000090608801 185306480 /nfs/dbraw/zinc/30/64/80/185306480.db2.gz WRTOAVTXENUQAB-UHFFFAOYSA-N 0 0 312.395 0.354 50 0 DCAARN O=C(NCCc1ccccc1F)N1CC[C@@]2(CC(=O)NC2=O)C1 ZINC000082136860 192360091 /nfs/dbraw/zinc/36/00/91/192360091.db2.gz LCWCZQHWGHGBDV-MRXNPFEDSA-N 0 0 319.336 0.816 50 0 DCAARN COc1ccc(C)cc1NC(=O)CSc1nncc(=O)n1N ZINC000012348343 190635786 /nfs/dbraw/zinc/63/57/86/190635786.db2.gz JWFZXHVGWQWQBN-UHFFFAOYSA-N 0 0 321.362 0.400 50 0 DCAARN O=S1(=O)C[C@H](NCc2cccnc2)[C@H](N2CCCCC2)C1 ZINC000095397269 185353247 /nfs/dbraw/zinc/35/32/47/185353247.db2.gz PMZZPORAZFMCFH-LSDHHAIUSA-N 0 0 309.435 0.823 50 0 DCAARN Cn1cc(N2CC[C@@H](Nc3ccc4nccnc4n3)C2=O)cn1 ZINC000095398345 185353561 /nfs/dbraw/zinc/35/35/61/185353561.db2.gz UZSMMKRRWOEJHR-GFCCVEGCSA-N 0 0 309.333 0.976 50 0 DCAARN CC1(C)CN=C(N2CCN(C[C@@H](O)Cn3cccn3)CC2)S1 ZINC000095409816 185356995 /nfs/dbraw/zinc/35/69/95/185356995.db2.gz DCFFHVSIONJCPS-CYBMUJFWSA-N 0 0 323.466 0.743 50 0 DCAARN CN(Cc1ncnn1C)c1ccc(C(=O)NC2CCCC2)nn1 ZINC000095428500 185362193 /nfs/dbraw/zinc/36/21/93/185362193.db2.gz YOOKRKPJOXKHED-UHFFFAOYSA-N 0 0 315.381 0.914 50 0 DCAARN O=C(CN1CCCS1(=O)=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000095430473 185362981 /nfs/dbraw/zinc/36/29/81/185362981.db2.gz CIZMHEALVKZNIU-VNQPRFMTSA-N 0 0 320.414 0.867 50 0 DCAARN CS(=O)(=O)NCCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000095433946 185363989 /nfs/dbraw/zinc/36/39/89/185363989.db2.gz WKVMRGDVTBQZAA-ZWNOBZJWSA-N 0 0 320.361 0.622 50 0 DCAARN CCS(=O)(=O)NCC(=O)N[C@@H](C)Cc1cccc(F)c1 ZINC000095442946 185366840 /nfs/dbraw/zinc/36/68/40/185366840.db2.gz NIBTZESKFISPOQ-JTQLQIEISA-N 0 0 302.371 0.812 50 0 DCAARN CNc1snc(C)c1C(=O)N1CCn2c(nn(C)c2=O)C1 ZINC000095446890 185367995 /nfs/dbraw/zinc/36/79/95/185367995.db2.gz TZBPKHYPCRDUJB-UHFFFAOYSA-N 0 0 308.367 0.044 50 0 DCAARN Cn1nc2n(c1=O)CCN(C(=O)c1cccc3ncccc31)C2 ZINC000095446884 185367998 /nfs/dbraw/zinc/36/79/98/185367998.db2.gz BJKAIASBJKSWEX-UHFFFAOYSA-N 0 0 309.329 0.786 50 0 DCAARN O=C(c1ccn(-c2cccc(F)c2)n1)N1C[C@H](O)C[C@H]1CO ZINC000095451181 185368999 /nfs/dbraw/zinc/36/89/99/185368999.db2.gz YTMYLIMPJBIVMX-QWHCGFSZSA-N 0 0 305.309 0.579 50 0 DCAARN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccnc2)nc1 ZINC000095451865 185369287 /nfs/dbraw/zinc/36/92/87/185369287.db2.gz KSJHMKIFSAIGHW-OLZOCXBDSA-N 0 0 313.361 0.912 50 0 DCAARN Cc1cccn2cc(CNS(=O)(=O)N3CCOCC3)nc12 ZINC000095454382 185369675 /nfs/dbraw/zinc/36/96/75/185369675.db2.gz KYLBJBVJXOUFFK-UHFFFAOYSA-N 0 0 310.379 0.309 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CCN3CCOc4cccc2c43)c1 ZINC000095457518 185370261 /nfs/dbraw/zinc/37/02/61/185370261.db2.gz ZDCLBENVZURVHG-UHFFFAOYSA-N 0 0 320.374 0.828 50 0 DCAARN O=C(NCCO)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000097110840 185411592 /nfs/dbraw/zinc/41/15/92/185411592.db2.gz ZRMBSIUKJCGWFL-RYUDHWBXSA-N 0 0 312.366 0.077 50 0 DCAARN Cc1cccn2c(=O)cc(CN3CCS(=O)(=O)CC3)nc12 ZINC000103267212 185442643 /nfs/dbraw/zinc/44/26/43/185442643.db2.gz ZPAWOOMCLDNXST-UHFFFAOYSA-N 0 0 307.375 0.233 50 0 DCAARN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N1CCC[C@H](O)C1 ZINC000170610193 197789802 /nfs/dbraw/zinc/78/98/02/197789802.db2.gz FOBPEBCXHNJQLS-NSHDSACASA-N 0 0 322.361 0.838 50 0 DCAARN O=C(CNC(=O)c1cc(COc2ccccc2)n[nH]1)NC1CC1 ZINC000067895074 190731754 /nfs/dbraw/zinc/73/17/54/190731754.db2.gz VFJOFQJJLSDCTR-UHFFFAOYSA-N 0 0 314.345 0.997 50 0 DCAARN C[C@H](CO)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000229762899 201848553 /nfs/dbraw/zinc/84/85/53/201848553.db2.gz FDDANMLXWDTDRY-AGIUHOORSA-N 0 0 322.409 0.875 50 0 DCAARN CCOC(=O)N1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000068049036 190745644 /nfs/dbraw/zinc/74/56/44/190745644.db2.gz ZBWAHTPERBCCLL-KBPBESRZSA-N 0 0 316.398 0.317 50 0 DCAARN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1Cn1cccn1 ZINC000069742188 190812436 /nfs/dbraw/zinc/81/24/36/190812436.db2.gz RPYGDAZKECNSGC-STQMWFEESA-N 0 0 308.407 0.796 50 0 DCAARN CCCCCS(=O)(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000069814694 190822612 /nfs/dbraw/zinc/82/26/12/190822612.db2.gz YGHVIDGFDYGPFJ-UHFFFAOYSA-N 0 0 312.457 0.474 50 0 DCAARN Cc1ccc([C@@H](CNC(=O)CCNC(N)=O)N2CCOCC2)o1 ZINC000069816915 190824099 /nfs/dbraw/zinc/82/40/99/190824099.db2.gz KSUWAKXDGKWMPQ-GFCCVEGCSA-N 0 0 324.381 0.136 50 0 DCAARN Cn1c2c(ccn2CC(=O)Nc2ccccn2)c(=O)n(C)c1=O ZINC000065030903 282590063 /nfs/dbraw/zinc/59/00/63/282590063.db2.gz SMMZVKSAYDKLBY-UHFFFAOYSA-N 0 0 313.317 0.072 50 0 DCAARN CS(=O)(=O)N1CC(C(=O)Nc2cccc3nsnc32)C1 ZINC000070817008 190919411 /nfs/dbraw/zinc/91/94/11/190919411.db2.gz BPFMHAZSITWNNZ-UHFFFAOYSA-N 0 0 312.376 0.521 50 0 DCAARN CCOCCC(=O)NCc1ccc(S(=O)(=O)NC)cc1 ZINC000076844076 545677460 /nfs/dbraw/zinc/67/74/60/545677460.db2.gz GGIYFFQRZRUMAU-UHFFFAOYSA-N 0 0 300.380 0.638 50 0 DCAARN CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000083613585 192375591 /nfs/dbraw/zinc/37/55/91/192375591.db2.gz GDFINXVOAHELGV-WCBMZHEXSA-N 0 0 304.318 0.486 50 0 DCAARN C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@H]1CCOC1 ZINC000083967099 192392905 /nfs/dbraw/zinc/39/29/05/192392905.db2.gz DPJPLGBZCWXPTO-ZJUUUORDSA-N 0 0 302.334 0.586 50 0 DCAARN O=C([O-])[C@H]1CN(C(=O)c2conc2-c2ccccc2)CC[NH2+]1 ZINC000071751882 191023140 /nfs/dbraw/zinc/02/31/40/191023140.db2.gz MGTAYTRRHVJOFJ-GFCCVEGCSA-N 0 0 301.302 0.840 50 0 DCAARN CC(C)c1noc(CCNC(=O)c2cn3c(n2)CNCC3)n1 ZINC000072134415 191045815 /nfs/dbraw/zinc/04/58/15/191045815.db2.gz JPJPJVKWMLHIHU-UHFFFAOYSA-N 0 0 304.354 0.465 50 0 DCAARN Cn1cc(NC(=O)CN2CCC[C@@]3(CN(C)C(=O)O3)C2)cn1 ZINC000072151202 191055597 /nfs/dbraw/zinc/05/55/97/191055597.db2.gz LJNGDVPTWPRCDW-CQSZACIVSA-N 0 0 307.354 0.275 50 0 DCAARN CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1 ZINC000072166058 191064934 /nfs/dbraw/zinc/06/49/34/191064934.db2.gz NTCUHAFBKNOFBB-CQSZACIVSA-N 0 0 319.405 0.830 50 0 DCAARN CCNC(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 ZINC000072162109 191062124 /nfs/dbraw/zinc/06/21/24/191062124.db2.gz IGGMFCGQUCHLCB-HNNXBMFYSA-N 0 0 303.406 0.946 50 0 DCAARN CCOC(=O)c1cnn(C)c1S(=O)(=O)N1CCCCC1 ZINC000072265069 191089396 /nfs/dbraw/zinc/08/93/96/191089396.db2.gz IQOAHEAFFOYQKF-UHFFFAOYSA-N 0 0 301.368 0.771 50 0 DCAARN Cc1cn2c(n1)CC[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C2 ZINC000072278935 191100231 /nfs/dbraw/zinc/10/02/31/191100231.db2.gz AWBFEVRWYXSXQQ-NEPJUHHUSA-N 0 0 311.407 0.447 50 0 DCAARN CC(C)(C)n1cc(C(=O)Nc2ccn(CCC(N)=O)n2)cn1 ZINC000072287492 191106650 /nfs/dbraw/zinc/10/66/50/191106650.db2.gz YLRUTZKBVYCBCI-UHFFFAOYSA-N 0 0 304.354 0.962 50 0 DCAARN Cn1nc2c(cc1=O)CN(Cc1cnn(-c3ccccc3)n1)CC2 ZINC000072302410 191114869 /nfs/dbraw/zinc/11/48/69/191114869.db2.gz IGFNOMWIPYKHGF-UHFFFAOYSA-N 0 0 322.372 0.919 50 0 DCAARN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1cnn(C)c1 ZINC000072300224 191114386 /nfs/dbraw/zinc/11/43/86/191114386.db2.gz XGYFFVXXTYJAGG-GFCCVEGCSA-N 0 0 309.395 0.778 50 0 DCAARN COc1ncccc1C(=O)NCCCc1cnc2ncnn2c1 ZINC000225644340 186285944 /nfs/dbraw/zinc/28/59/44/186285944.db2.gz ROSTVJVROXXZMK-UHFFFAOYSA-N 0 0 312.333 0.891 50 0 DCAARN C[C@@H]1CCN(c2cc(N3CC[C@H](C)[C@@H](O)C3)ncn2)C[C@H]1O ZINC000253370519 186301394 /nfs/dbraw/zinc/30/13/94/186301394.db2.gz RXJJRYAHUHAZLE-KPWCQOOUSA-N 0 0 306.410 0.891 50 0 DCAARN O=C1[C@H](N2C(=O)[C@H]3CCCN3C2=O)CCN1CC(F)(F)F ZINC000253393856 186303487 /nfs/dbraw/zinc/30/34/87/186303487.db2.gz AMTGJRSNDINTSL-HTQZYQBOSA-N 0 0 305.256 0.576 50 0 DCAARN CSCC[C@@H](CO)NC(=O)C1(n2cnnn2)CCCCC1 ZINC000253402500 186307055 /nfs/dbraw/zinc/30/70/55/186307055.db2.gz GKUMDXDTBKCNAR-NSHDSACASA-N 0 0 313.427 0.563 50 0 DCAARN O=C(NCc1nnc2c(=O)[nH]ccn12)c1[nH]nc2ccccc21 ZINC000253400072 186307058 /nfs/dbraw/zinc/30/70/58/186307058.db2.gz KLTAEBRJCBWEHH-UHFFFAOYSA-N 0 0 309.289 0.636 50 0 DCAARN COC(=O)CC(C)(C)CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000095451407 290947550 /nfs/dbraw/zinc/94/75/50/290947550.db2.gz HDFMMXOGRUASFM-JTQLQIEISA-N 0 0 305.396 0.611 50 0 DCAARN Cc1nn(C)c(C)c1CNC(=O)COc1coc(C)cc1=O ZINC000072406158 191152831 /nfs/dbraw/zinc/15/28/31/191152831.db2.gz MCIZFTYRNZWGLY-UHFFFAOYSA-N 0 0 305.334 0.994 50 0 DCAARN CC1(C)O[C@H]2O[C@H]([C@@H](O)CO)[C@H](OCc3ccccc3)[C@H]2O1 ZINC000000042934 180676062 /nfs/dbraw/zinc/67/60/62/180676062.db2.gz CIFFIYJOTIJKSX-XPABHHOTSA-N 0 0 310.346 0.801 50 0 in-vitro DCAARN Cn1nc(C(=O)N[C@@H]2CCc3n[nH]c(=O)cc3C2)c2ccccc21 ZINC000225786683 282800946 /nfs/dbraw/zinc/80/09/46/282800946.db2.gz CLAWYAOEGUXHGI-LLVKDONJSA-N 0 0 323.356 0.944 50 0 DCAARN COCCC(=O)N1CCC[C@H](c2nnc(CN(C)C)n2C)C1 ZINC000072425575 191159767 /nfs/dbraw/zinc/15/97/67/191159767.db2.gz BLJOMMUOHNVIHS-LBPRGKRZSA-N 0 0 309.414 0.619 50 0 DCAARN Cc1cccnc1CN1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC000072434330 191165710 /nfs/dbraw/zinc/16/57/10/191165710.db2.gz PFYQHQLSPXMWCC-UHFFFAOYSA-N 0 0 313.361 0.431 50 0 DCAARN CN(C(=O)C1CCN(S(C)(=O)=O)CC1)[C@@H]1CCCC[C@H]1O ZINC000072446850 191169469 /nfs/dbraw/zinc/16/94/69/191169469.db2.gz CNCQXJBFYDSQGM-CHWSQXEVSA-N 0 0 318.439 0.420 50 0 DCAARN O=C(NCCCn1nccc1C1CC1)[C@H]1NCCc2nc[nH]c21 ZINC000072462581 191172192 /nfs/dbraw/zinc/17/21/92/191172192.db2.gz AAGPYKCEVBBIJD-HNNXBMFYSA-N 0 0 314.393 0.877 50 0 DCAARN Cn1nnnc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000000417343 180782593 /nfs/dbraw/zinc/78/25/93/180782593.db2.gz ZWKMZXOWMILILP-UHFFFAOYSA-N 0 0 307.335 0.712 50 0 DCAARN CN(c1ccccc1C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O ZINC000000609665 180827211 /nfs/dbraw/zinc/82/72/11/180827211.db2.gz LYFUSHRRVVHJMK-NSHDSACASA-N 0 0 312.391 0.991 50 0 DCAARN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)CN2CCCCC2=O)C1 ZINC000331921622 234278311 /nfs/dbraw/zinc/27/83/11/234278311.db2.gz BUCMFBAVDSDIMP-NEPJUHHUSA-N 0 0 321.381 0.414 50 0 DCAARN Cc1cccc(-n2nnnc2S[C@H](C)C(=O)NC(N)=O)c1 ZINC000002622667 180940086 /nfs/dbraw/zinc/94/00/86/180940086.db2.gz ATAYLJDPDQBPPE-MRVPVSSYSA-N 0 0 306.351 0.646 50 0 DCAARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)NCCO ZINC000003152882 180986621 /nfs/dbraw/zinc/98/66/21/180986621.db2.gz CHFVOWLUNGEUPX-UHFFFAOYSA-N 0 0 303.347 0.707 50 0 DCAARN CN(C)S(=O)(=O)c1ccc2oc(SCC(N)=O)nc2c1 ZINC000003435087 181019309 /nfs/dbraw/zinc/01/93/09/181019309.db2.gz GIUGJCJZIRVNMN-UHFFFAOYSA-N 0 0 315.376 0.656 50 0 DCAARN COC(=O)c1nnn(CC(=O)c2ccccc2)c1C(=O)OC ZINC000073165978 191288390 /nfs/dbraw/zinc/28/83/90/191288390.db2.gz UXIKHYQVKAZWBQ-UHFFFAOYSA-N 0 0 303.274 0.734 50 0 DCAARN CN(C(=O)CSc1ncccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000003520969 181030118 /nfs/dbraw/zinc/03/01/18/181030118.db2.gz QFNPYRHBJBIMMG-SECBINFHSA-N 0 0 301.393 0.214 50 0 DCAARN CCOC(=O)C1=C(CC)N[C@@]2(O)c3ccccc3C(=O)[C@]12O ZINC000004012501 181062106 /nfs/dbraw/zinc/06/21/06/181062106.db2.gz RIUUQYALSGAKLQ-HZPDHXFCSA-N 0 0 303.314 0.590 50 0 DCAARN CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1nc(C)cs1 ZINC000004101938 181073276 /nfs/dbraw/zinc/07/32/76/181073276.db2.gz FWTIRGYZXBFQMR-SECBINFHSA-N 0 0 319.408 0.329 50 0 DCAARN CC(=O)NCCC(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000004339285 181100258 /nfs/dbraw/zinc/10/02/58/181100258.db2.gz MCOJIAODGHLKLO-VIFPVBQESA-N 0 0 321.333 0.182 50 0 DCAARN O=C(Cn1cnnn1)NCc1c(F)cccc1OC(F)F ZINC000073280950 191299912 /nfs/dbraw/zinc/29/99/12/191299912.db2.gz ULOKCHBTIRAGHW-UHFFFAOYSA-N 0 0 301.228 0.730 50 0 DCAARN CCCNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000004515245 181118433 /nfs/dbraw/zinc/11/84/33/181118433.db2.gz RTJYWGPGWKYVFQ-ZUZCIYMTSA-N 0 0 324.381 0.723 50 0 DCAARN Nc1cc(=O)[nH]c(SCc2nc3ccccc3c(=O)[nH]2)n1 ZINC000004642620 181131263 /nfs/dbraw/zinc/13/12/63/181131263.db2.gz HGASZMPAFNWQFV-UHFFFAOYSA-N 0 0 301.331 0.881 50 0 DCAARN COCCNC(=O)CN1CCN(Cc2cccc(C)c2)C1=O ZINC000004930672 181174224 /nfs/dbraw/zinc/17/42/24/181174224.db2.gz TVEFXRJDZFPTFS-UHFFFAOYSA-N 0 0 305.378 0.995 50 0 DCAARN CCCNC(=O)CSc1ccnc2c1c(=O)n(C)c(=O)n2C ZINC000004942238 181176516 /nfs/dbraw/zinc/17/65/16/181176516.db2.gz GECYJTVJDTXSHN-UHFFFAOYSA-N 0 0 322.390 0.251 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccco2)[nH]c1=O ZINC000075124843 191424136 /nfs/dbraw/zinc/42/41/36/191424136.db2.gz NJHXPPIVDYEDII-VIFPVBQESA-N 0 0 322.342 0.552 50 0 DCAARN CC[C@H](C(=O)N1CCOCC1)n1nnc2ccccc2c1=O ZINC000005265425 181224569 /nfs/dbraw/zinc/22/45/69/181224569.db2.gz DUJGATOETXXNNB-CYBMUJFWSA-N 0 0 302.334 0.601 50 0 DCAARN CCOc1ccc(NC(=O)C[C@H]([NH2+]C[C@@H](C)O)C(=O)[O-])cc1 ZINC000005257840 181222892 /nfs/dbraw/zinc/22/28/92/181222892.db2.gz FFFYTLUCYIJLLB-MFKMUULPSA-N 0 0 310.350 0.838 50 0 DCAARN COC(=O)C1=NO[C@@]2(CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000005396535 181239020 /nfs/dbraw/zinc/23/90/20/181239020.db2.gz DPECWIJYEXICQB-CQSZACIVSA-N 0 0 306.249 0.777 50 0 DCAARN O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NC1CC1 ZINC000005427976 181242270 /nfs/dbraw/zinc/24/22/70/181242270.db2.gz UWTUWZUXIYUYEB-UHFFFAOYSA-N 0 0 309.329 0.861 50 0 DCAARN CN(C)C(=O)[C@H](Sc1nc(N)nc(N)n1)c1ccccc1 ZINC000005505992 181251338 /nfs/dbraw/zinc/25/13/38/181251338.db2.gz XLMOBZJBSHHBFC-SECBINFHSA-N 0 0 304.379 0.958 50 0 DCAARN C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)NC1CC1 ZINC000005586091 181260443 /nfs/dbraw/zinc/26/04/43/181260443.db2.gz JBOJAFFYKVXXBL-SECBINFHSA-N 0 0 311.359 0.914 50 0 DCAARN CCNS(=O)(=O)CCNC(=O)Cc1cccc(F)c1F ZINC000087338282 192640337 /nfs/dbraw/zinc/64/03/37/192640337.db2.gz ZSROCNGWFJUEHK-UHFFFAOYSA-N 0 0 306.334 0.563 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)[C@@](C)(O)[C@H](C)c2ccccc2)CCO1 ZINC000183986364 290585128 /nfs/dbraw/zinc/58/51/28/290585128.db2.gz ZIDNRAFQZWYCBC-IFIJOSMWSA-N 0 0 320.389 0.515 50 0 DCAARN Cc1ccc(CCNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cn1 ZINC000089652222 192835101 /nfs/dbraw/zinc/83/51/01/192835101.db2.gz QBMITJGCNCNWGV-ZDUSSCGKSA-N 0 0 302.378 0.995 50 0 DCAARN CC(C)[C@@H](CNC(=O)N[C@H](C)Cn1cccn1)N1CCOCC1 ZINC000089791347 192871220 /nfs/dbraw/zinc/87/12/20/192871220.db2.gz POBVHRFGPVJFOH-HUUCEWRRSA-N 0 0 323.441 0.928 50 0 DCAARN CC[C@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2cccnc2)C1=O ZINC000281119064 216091113 /nfs/dbraw/zinc/09/11/13/216091113.db2.gz HZSAXKPRVVUCQQ-XPTSAGLGSA-N 0 0 306.322 0.601 50 0 DCAARN O=C(O[C@H]1CCOC1=O)c1cccnc1S[C@H]1CCOC1=O ZINC000006012551 181306440 /nfs/dbraw/zinc/30/64/40/181306440.db2.gz CUZYBWCXMIFJOX-UWVGGRQHSA-N 0 0 323.326 0.962 50 0 DCAARN COc1ccc([C@H](CNS(C)(=O)=O)N(C)C)cc1OC ZINC000006086176 181311583 /nfs/dbraw/zinc/31/15/83/181311583.db2.gz YQHNEULDFJZDAQ-NSHDSACASA-N 0 0 302.396 0.856 50 0 DCAARN C[C@@H]1CN(C)CCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000089937990 192912565 /nfs/dbraw/zinc/91/25/65/192912565.db2.gz PWJUOUCULGMIHW-GFCCVEGCSA-N 0 0 315.377 0.344 50 0 DCAARN CCOc1ccccc1NC(=O)COC(=O)[C@H]1CCC(=O)N1 ZINC000006509201 181347974 /nfs/dbraw/zinc/34/79/74/181347974.db2.gz DSWWIZQGZQZRFV-LLVKDONJSA-N 0 0 306.318 0.846 50 0 DCAARN CCN(CC)C(=O)[C@H](C)N(C#N)c1nc(OC)nc(N(C)C)n1 ZINC000006690961 181370725 /nfs/dbraw/zinc/37/07/25/181370725.db2.gz FTYBHFLUAWFDAG-JTQLQIEISA-N 0 0 321.385 0.491 50 0 DCAARN COCCNC(=O)[C@H]1CC(c2cc(OC)ccc2OC)=NO1 ZINC000006738525 181380711 /nfs/dbraw/zinc/38/07/11/181380711.db2.gz PXFNEVWEGIZODY-CQSZACIVSA-N 0 0 308.334 0.959 50 0 DCAARN COCCNC(=O)[C@@H]1CC(c2cc(OC)ccc2OC)=NO1 ZINC000006738524 181380761 /nfs/dbraw/zinc/38/07/61/181380761.db2.gz PXFNEVWEGIZODY-AWEZNQCLSA-N 0 0 308.334 0.959 50 0 DCAARN CCOc1ncccc1CNC(=O)CN1CCC(C(N)=O)CC1 ZINC000091587237 193076087 /nfs/dbraw/zinc/07/60/87/193076087.db2.gz BBVVUKKQHIBMCU-UHFFFAOYSA-N 0 0 320.393 0.294 50 0 DCAARN COCCOCC(=O)N1CCC(c2cc(=O)[nH]c(C)n2)CC1 ZINC000091594616 193077953 /nfs/dbraw/zinc/07/79/53/193077953.db2.gz VYDXHZQGEOECPX-UHFFFAOYSA-N 0 0 309.366 0.447 50 0 DCAARN Cc1ccc2nc(C(=O)N3CCN(S(C)(=O)=O)CC3)cn2c1 ZINC000091595638 193078110 /nfs/dbraw/zinc/07/81/10/193078110.db2.gz BAVFVZFRJDGFKP-UHFFFAOYSA-N 0 0 322.390 0.360 50 0 DCAARN CC(C)c1cc(CN(C)C(=O)CC[C@H]2NC(=O)NC2=O)no1 ZINC000091468843 193060840 /nfs/dbraw/zinc/06/08/40/193060840.db2.gz KTVVJLGOQLTCLF-SNVBAGLBSA-N 0 0 308.338 0.745 50 0 DCAARN CC(C)[C@H]1C[N@H+](CCC(=O)[O-])C[C@@H]1NC(=O)c1ccc(CO)o1 ZINC000091655948 193085601 /nfs/dbraw/zinc/08/56/01/193085601.db2.gz QRLBHHDOGZHFCC-OLZOCXBDSA-N 0 0 324.377 0.933 50 0 DCAARN COCCN1C(=O)[C@H]2CC[C@@H]1CN(c1nccnc1OC)C2 ZINC000091707642 193095598 /nfs/dbraw/zinc/09/55/98/193095598.db2.gz IUWHRQLCVQNFOA-NWDGAFQWSA-N 0 0 306.366 0.559 50 0 DCAARN CN(Cc1noc2c1CCCC2)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000091736827 193099676 /nfs/dbraw/zinc/09/96/76/193099676.db2.gz CKBKKBFDKIMMQS-JTQLQIEISA-N 0 0 320.349 0.500 50 0 DCAARN COCc1noc(CN2CC[C@@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091737349 193099726 /nfs/dbraw/zinc/09/97/26/193099726.db2.gz APLHIYVUWKLYHA-OAHLLOKOSA-N 0 0 324.381 0.023 50 0 DCAARN O=C1CCC2(CCN(Cc3ncccn3)CC2)CN1CCO ZINC000091757463 193103416 /nfs/dbraw/zinc/10/34/16/193103416.db2.gz OHJMUCUBLHYAMI-UHFFFAOYSA-N 0 0 304.394 0.674 50 0 DCAARN O=C(CN1C(=O)CNC1=O)NCc1ccc2c(c1)CCCO2 ZINC000091808926 193111803 /nfs/dbraw/zinc/11/18/03/193111803.db2.gz JJMPTVGILCICTN-UHFFFAOYSA-N 0 0 303.318 0.180 50 0 DCAARN CC(C)CCn1cccc1CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000091867097 193120152 /nfs/dbraw/zinc/12/01/52/193120152.db2.gz WMZSZVRFLNDBFM-HNNXBMFYSA-N 0 0 318.421 0.677 50 0 DCAARN O=C(c1ccc2c(c1)OCCO2)N1Cc2cnn(CCO)c2C1 ZINC000215408718 201459672 /nfs/dbraw/zinc/45/96/72/201459672.db2.gz FGDFOBCWZJKVIH-UHFFFAOYSA-N 0 0 315.329 0.803 50 0 DCAARN Cc1cc(CNC(=O)c2ccc3c(c2)ncn(C)c3=O)n(C)n1 ZINC000216271698 201487876 /nfs/dbraw/zinc/48/78/76/201487876.db2.gz YARWOKFCFNDZLU-UHFFFAOYSA-N 0 0 311.345 0.905 50 0 DCAARN COCC(=O)N1CCCN(C(=O)c2cnc(SC)nc2)CC1 ZINC000219051148 201549219 /nfs/dbraw/zinc/54/92/19/201549219.db2.gz BRGYWAREQOQYJZ-UHFFFAOYSA-N 0 0 324.406 0.519 50 0 DCAARN O=C(CN1CCOC1=O)N1CCC[C@H](C(=O)c2ccccn2)C1 ZINC000223233862 201638608 /nfs/dbraw/zinc/63/86/08/201638608.db2.gz HPBLPDCCOFAPSG-LBPRGKRZSA-N 0 0 317.345 0.955 50 0 DCAARN CC[C@H](NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)c1nccs1 ZINC000223344470 201642019 /nfs/dbraw/zinc/64/20/19/201642019.db2.gz ACEZVAYLGULVBQ-VIFPVBQESA-N 0 0 308.363 0.638 50 0 DCAARN CCc1c(C)nn(CCNC(=O)CCn2nnnc2C)c1C ZINC000252505760 202857307 /nfs/dbraw/zinc/85/73/07/202857307.db2.gz VTNCNFVIRGUXJP-UHFFFAOYSA-N 0 0 305.386 0.564 50 0 DCAARN CCOc1ccc(OCCC(=O)O[C@H](C)C(=O)NC(N)=O)cc1 ZINC000007780386 181495155 /nfs/dbraw/zinc/49/51/55/181495155.db2.gz BSTIJTNSSVHHLZ-SNVBAGLBSA-N 0 0 324.333 0.981 50 0 DCAARN NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)cc2)C1 ZINC000096139859 193549882 /nfs/dbraw/zinc/54/98/82/193549882.db2.gz SQQYFZPZCFBOPP-LLVKDONJSA-N 0 0 314.349 0.997 50 0 DCAARN Cc1nn(C)c(C)c1/C=C\C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000096400592 193618401 /nfs/dbraw/zinc/61/84/01/193618401.db2.gz NDNVKNXRHLYEJD-FJOGCWAESA-N 0 0 311.407 0.696 50 0 DCAARN CN1c2ccccc2[C@@H](NC(=O)C(=O)NCc2cccnc2)C1=O ZINC000009306510 181612619 /nfs/dbraw/zinc/61/26/19/181612619.db2.gz ZYYRIKHFRWBDFS-CQSZACIVSA-N 0 0 324.340 0.532 50 0 DCAARN O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(N2CCCCC2)nn1 ZINC000075172680 284270264 /nfs/dbraw/zinc/27/02/64/284270264.db2.gz XMXXXSNXQSWJTK-UHFFFAOYSA-N 0 0 316.321 0.096 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000010753218 181678259 /nfs/dbraw/zinc/67/82/59/181678259.db2.gz WJSUQQPNESHWIX-CYBMUJFWSA-N 0 0 312.391 0.937 50 0 DCAARN CCOc1ccc(S(=O)(=O)NCCn2ncccc2=O)cc1 ZINC000011856351 181712028 /nfs/dbraw/zinc/71/20/28/181712028.db2.gz IXQWQSOSVUUXAK-UHFFFAOYSA-N 0 0 323.374 0.621 50 0 DCAARN CCN(CCO)C(=O)CCNC(=O)c1ccc(F)cc1F ZINC000097177584 193684804 /nfs/dbraw/zinc/68/48/04/193684804.db2.gz MHIAYTRKSIZQCC-UHFFFAOYSA-N 0 0 300.305 0.926 50 0 DCAARN Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NC[C@@H]1CCCO1 ZINC000014031530 181921453 /nfs/dbraw/zinc/92/14/53/181921453.db2.gz DKVMIDYWKHBMHK-QWRGUYRKSA-N 0 0 309.391 0.884 50 0 DCAARN CCCNC(=O)CN(C)C(=O)CSc1nnc(C)s1 ZINC000014183636 181933604 /nfs/dbraw/zinc/93/36/04/181933604.db2.gz MIIKRISAERBQGX-UHFFFAOYSA-N 0 0 302.425 0.923 50 0 DCAARN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)N1CCCC1=O ZINC000016050782 182031194 /nfs/dbraw/zinc/03/11/94/182031194.db2.gz UYYIVCAGYZBKII-UHFFFAOYSA-N 0 0 314.297 0.834 50 0 DCAARN COCCN1C(=S)N=NC1[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000017055408 182072619 /nfs/dbraw/zinc/07/26/19/182072619.db2.gz KITWTQWEWJMXJZ-SECBINFHSA-N 0 0 320.440 0.352 50 0 DCAARN Cn1cc(Cl)c(C(=O)NC(=S)N2CCN(C)CC2)n1 ZINC000019840217 182155924 /nfs/dbraw/zinc/15/59/24/182155924.db2.gz PLCZRJPTXRWXBJ-UHFFFAOYSA-N 0 0 301.803 0.336 50 0 DCAARN CS[C@@]1(NCc2ccc3c(c2)OCO3)NN=C(C)C(=O)N1 ZINC000019793762 182149998 /nfs/dbraw/zinc/14/99/98/182149998.db2.gz XVYLCVRNQZUMDY-CYBMUJFWSA-N 0 0 308.363 0.575 50 0 DCAARN COc1ccc(NC(C)=O)c(NC(=O)CN2CCOCC2)c1 ZINC000019799502 182151939 /nfs/dbraw/zinc/15/19/39/182151939.db2.gz BKPBXTLJPUFZRS-UHFFFAOYSA-N 0 0 307.350 0.924 50 0 DCAARN CN1CCc2c(sc3nc(SCC(N)=O)nc(N)c32)C1 ZINC000020357536 182211047 /nfs/dbraw/zinc/21/10/47/182211047.db2.gz BEXCYDGRIFMUEX-UHFFFAOYSA-N 0 0 309.420 0.839 50 0 DCAARN COc1ccc(OCCOC[C@@H](O)CN2CCOCC2)cc1 ZINC000020789787 182247403 /nfs/dbraw/zinc/24/74/03/182247403.db2.gz GORSRZQECPDYEL-AWEZNQCLSA-N 0 0 311.378 0.784 50 0 DCAARN COC(=O)c1ccc(CN2CC(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000021522631 182278709 /nfs/dbraw/zinc/27/87/09/182278709.db2.gz XOEYYLAHOHHSIE-CYBMUJFWSA-N 0 0 302.330 0.806 50 0 DCAARN C[C@H]1CN(C(C)(C)CNc2ccc3nnnn3n2)C[C@H](C)O1 ZINC000022385891 182320425 /nfs/dbraw/zinc/32/04/25/182320425.db2.gz WOVQAQSJUWZTSD-QWRGUYRKSA-N 0 0 305.386 0.819 50 0 DCAARN CNC(=O)NC(=O)CN1CCN(Cc2ccccc2C)CC1 ZINC000022918672 182341501 /nfs/dbraw/zinc/34/15/01/182341501.db2.gz ZPGLJATZDSFZSK-UHFFFAOYSA-N 0 0 304.394 0.568 50 0 DCAARN O=c1cccnn1CCCNS(=O)(=O)c1ccc(F)cc1 ZINC000023137438 182350781 /nfs/dbraw/zinc/35/07/81/182350781.db2.gz BYYABCJITZKUSN-UHFFFAOYSA-N 0 0 311.338 0.751 50 0 DCAARN COCCN(CCOC)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000023329945 182357118 /nfs/dbraw/zinc/35/71/18/182357118.db2.gz PEDYDKBMEWFKLE-UHFFFAOYSA-N 0 0 310.350 0.949 50 0 DCAARN Cn1ncc(N2CC[C@H](CNC(=O)NC3CCCC3)C2)cc1=O ZINC000023582108 182363920 /nfs/dbraw/zinc/36/39/20/182363920.db2.gz DWLVNCBVNCQSGD-GFCCVEGCSA-N 0 0 319.409 0.848 50 0 DCAARN O=C(CN1CCCSc2ccccc21)N1CCNC(=O)C1 ZINC000024240573 182377472 /nfs/dbraw/zinc/37/74/72/182377472.db2.gz NHSBIIQCTGXIPK-UHFFFAOYSA-N 0 0 305.403 0.947 50 0 DCAARN Cn1cccc1C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000023869830 182370034 /nfs/dbraw/zinc/37/00/34/182370034.db2.gz SMCJPRUPPOJCIF-UHFFFAOYSA-N 0 0 303.318 0.941 50 0 DCAARN CN(C[C@H]1COc2ccccc2O1)C(=O)C1=NN(C)C(=O)CC1 ZINC000024661319 182386412 /nfs/dbraw/zinc/38/64/12/182386412.db2.gz WRABPUVDGSBSCP-NSHDSACASA-N 0 0 317.345 0.893 50 0 DCAARN COC(=O)C[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ccccc1 ZINC000024895284 182394795 /nfs/dbraw/zinc/39/47/95/182394795.db2.gz WRGRDYJREHTEMQ-CYBMUJFWSA-N 0 0 315.329 0.815 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)NCCCOc1ccccc1F ZINC000032263562 182639272 /nfs/dbraw/zinc/63/92/72/182639272.db2.gz HYFSAPYVMXLNQL-UHFFFAOYSA-N 0 0 321.308 0.261 50 0 DCAARN Cc1ccc(-n2cc(C(=O)NCCN3CCOCC3)nn2)cc1 ZINC000032488261 182644412 /nfs/dbraw/zinc/64/44/12/182644412.db2.gz KZQHTMUZRQNENN-UHFFFAOYSA-N 0 0 315.377 0.638 50 0 DCAARN COc1ccc(CN(C)C(=O)Cn2ccc(=O)n(C)c2=O)cc1 ZINC000032674153 182654285 /nfs/dbraw/zinc/65/42/85/182654285.db2.gz PFFBJTUGIULFAU-UHFFFAOYSA-N 0 0 317.345 0.214 50 0 DCAARN CS(=O)(=O)N1CCCN(S(=O)(=O)c2cccs2)CC1 ZINC000032906206 182677210 /nfs/dbraw/zinc/67/72/10/182677210.db2.gz XDYFTMAAJHOBRU-UHFFFAOYSA-N 0 0 324.449 0.404 50 0 DCAARN CN(C)C(=O)CCNC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000036398448 182825239 /nfs/dbraw/zinc/82/52/39/182825239.db2.gz DVZYSEZFOTZYFG-UHFFFAOYSA-N 0 0 307.375 0.939 50 0 DCAARN CC[C@@H](C)NC(=O)Cn1nc(-n2nc(C)cc2C)ccc1=O ZINC000040286418 183051026 /nfs/dbraw/zinc/05/10/26/183051026.db2.gz QRVPBFINMDVMHE-SNVBAGLBSA-N 0 0 303.366 0.961 50 0 DCAARN CC(C)N1c2ccccc2[C@@H](NC(=O)C(=O)NC[C@H](C)O)C1=O ZINC000040285643 183051095 /nfs/dbraw/zinc/05/10/95/183051095.db2.gz DQUXKQSVUJUGDS-GXFFZTMASA-N 0 0 319.361 0.096 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000040467986 183073590 /nfs/dbraw/zinc/07/35/90/183073590.db2.gz YUOXVMJLKQPSFV-CMPLNLGQSA-N 0 0 309.343 0.071 50 0 DCAARN CN(C(=O)c1cccnc1N1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000040473650 183074286 /nfs/dbraw/zinc/07/42/86/183074286.db2.gz YKFMYMOTAUTOAV-LBPRGKRZSA-N 0 0 323.418 0.941 50 0 DCAARN C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CC(=O)NC(C)(C)C ZINC000040477297 183075464 /nfs/dbraw/zinc/07/54/64/183075464.db2.gz BFXJLMZLLCLNDT-SECBINFHSA-N 0 0 309.418 0.427 50 0 DCAARN COCCNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000040477492 183075861 /nfs/dbraw/zinc/07/58/61/183075861.db2.gz FMAOQRYQPKKVGP-UHFFFAOYSA-N 0 0 307.393 0.552 50 0 DCAARN CN1CCc2nc(NC(=O)CCSCC(N)=O)sc2C1 ZINC000040497882 183081721 /nfs/dbraw/zinc/08/17/21/183081721.db2.gz CIPBXYZENLXGAW-UHFFFAOYSA-N 0 0 314.436 0.678 50 0 DCAARN CC[C@](C)(CNC(=O)CN1CCSC1=O)N1CCOCC1 ZINC000040515340 183088552 /nfs/dbraw/zinc/08/85/52/183088552.db2.gz DQFPZFKTQZQONM-CQSZACIVSA-N 0 0 315.439 0.772 50 0 DCAARN C[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1 ZINC000040515796 183088684 /nfs/dbraw/zinc/08/86/84/183088684.db2.gz LDGBWJKESQBQJK-GFCCVEGCSA-N 0 0 311.407 0.961 50 0 DCAARN C[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccccc1F ZINC000040513904 183088976 /nfs/dbraw/zinc/08/89/76/183088976.db2.gz ARLBMSATUKCDLR-SNVBAGLBSA-N 0 0 305.309 0.564 50 0 DCAARN O=C(Cn1ccc(C(F)(F)F)n1)N[C@@H]1CCCCNC1=O ZINC000040521956 183090789 /nfs/dbraw/zinc/09/07/89/183090789.db2.gz HSWVOOJKWXPHHI-MRVPVSSYSA-N 0 0 304.272 0.687 50 0 DCAARN Cn1c2ccccc2n(CC(=O)N[C@H]2CCCCNC2=O)c1=O ZINC000040522181 183091366 /nfs/dbraw/zinc/09/13/66/183091366.db2.gz SPGDKVWEOAPLQY-NSHDSACASA-N 0 0 316.361 0.125 50 0 DCAARN CN(C)c1ncccc1CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000040525146 183092094 /nfs/dbraw/zinc/09/20/94/183092094.db2.gz PQCICDZBKXASBM-GFCCVEGCSA-N 0 0 302.378 0.775 50 0 DCAARN C[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000040528147 183093255 /nfs/dbraw/zinc/09/32/55/183093255.db2.gz ZKSRRVYVHFHFDW-JTQLQIEISA-N 0 0 320.361 0.964 50 0 DCAARN Cn1cc(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)cn1 ZINC000040528026 183093456 /nfs/dbraw/zinc/09/34/56/183093456.db2.gz RARZWRNNXGNNQQ-UHFFFAOYSA-N 0 0 323.374 0.712 50 0 DCAARN Cc1ccc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)o1 ZINC000040542758 183098373 /nfs/dbraw/zinc/09/83/73/183098373.db2.gz UMSSBQXNDGLFMC-NSHDSACASA-N 0 0 300.380 0.989 50 0 DCAARN NS(=O)(=O)c1cc(C(=O)NCCc2ccccn2)ccc1F ZINC000040553303 183100147 /nfs/dbraw/zinc/10/01/47/183100147.db2.gz XVRGGSRDRNSUJO-UHFFFAOYSA-N 0 0 323.349 0.841 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 ZINC000041126619 183168915 /nfs/dbraw/zinc/16/89/15/183168915.db2.gz SZJBUQINAAQNGL-KMOQFTEPSA-N 0 0 302.330 0.805 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000041130797 183170383 /nfs/dbraw/zinc/17/03/83/183170383.db2.gz DNNSJAYHFVNQBT-JTQLQIEISA-N 0 0 324.764 0.988 50 0 DCAARN C[C@H](CO)NC(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000041379681 183188054 /nfs/dbraw/zinc/18/80/54/183188054.db2.gz VAEZYXGTARCMAC-GSVOUGTGSA-N 0 0 312.194 0.818 50 0 DCAARN O=C(NCCCn1cncn1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000041862620 183223025 /nfs/dbraw/zinc/22/30/25/183223025.db2.gz NQWBNQXRFDZCNB-LBPRGKRZSA-N 0 0 305.382 0.576 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CCOc2ccccc21 ZINC000042106244 183233024 /nfs/dbraw/zinc/23/30/24/183233024.db2.gz BEWKPEYGDNJOHE-CYBMUJFWSA-N 0 0 324.402 0.357 50 0 DCAARN O=C(COc1ccccc1F)NC[C@H]1CCS(=O)(=O)C1 ZINC000042383767 183262615 /nfs/dbraw/zinc/26/26/15/183262615.db2.gz SYSJXSSABNGPJM-SNVBAGLBSA-N 0 0 301.339 0.755 50 0 DCAARN Cc1cccc(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)n1 ZINC000042394926 183263149 /nfs/dbraw/zinc/26/31/49/183263149.db2.gz YTJGJEVGDSNWBM-ZBFHGGJFSA-N 0 0 319.405 0.857 50 0 DCAARN CN(Cc1ccncc1)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000042392618 183263230 /nfs/dbraw/zinc/26/32/30/183263230.db2.gz HABCQXURBGDGBM-ZDUSSCGKSA-N 0 0 311.407 0.712 50 0 DCAARN O=C(CN1CCNC(=O)CC1)NCC1(c2ccccc2)CC1 ZINC000042570253 183285635 /nfs/dbraw/zinc/28/56/35/183285635.db2.gz FNGWOEJTPKCUAE-UHFFFAOYSA-N 0 0 301.390 0.656 50 0 DCAARN COc1ccc(CN2CCN(S(N)(=O)=O)CC2)cc1F ZINC000042634051 183292461 /nfs/dbraw/zinc/29/24/61/183292461.db2.gz WKLHECDYSVBHRI-UHFFFAOYSA-N 0 0 303.359 0.155 50 0 DCAARN Cc1cc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)no1 ZINC000042723700 183301872 /nfs/dbraw/zinc/30/18/72/183301872.db2.gz PSRZZWZQGGHIBV-JTQLQIEISA-N 0 0 301.368 0.527 50 0 DCAARN Cc1nn(C[C@H](O)CN2CCOCC2)c(=O)c2ccccc12 ZINC000042755870 183305192 /nfs/dbraw/zinc/30/51/92/183305192.db2.gz ZFGTUUIAGSZCAR-CYBMUJFWSA-N 0 0 303.362 0.398 50 0 DCAARN CN(Cc1ccc2c(c1)OCO2)C(=O)NCCN1CCOCC1 ZINC000042952008 183320789 /nfs/dbraw/zinc/32/07/89/183320789.db2.gz ZRAIUBDWLVSYBG-UHFFFAOYSA-N 0 0 321.377 0.889 50 0 DCAARN COc1ccccc1[C@H](O)CNC(=O)NCCn1ccnc1 ZINC000043311125 183354228 /nfs/dbraw/zinc/35/42/28/183354228.db2.gz OSXDPWJMUNQSGO-CYBMUJFWSA-N 0 0 304.350 0.925 50 0 DCAARN COC[C@@H](C)NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000044908111 183454265 /nfs/dbraw/zinc/45/42/65/183454265.db2.gz CNVVMRYXAXOXEK-NOZJJQNGSA-N 0 0 322.340 0.397 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)NCCc2ccccn2)cc1 ZINC000044870566 183444981 /nfs/dbraw/zinc/44/49/81/183444981.db2.gz LULFZYFLLGNWGW-UHFFFAOYSA-N 0 0 319.386 0.962 50 0 DCAARN CCN(C(=O)[C@H]1Cc2cc(Cl)ccc2O1)[C@@H]1CC(=O)NC1=O ZINC000103399368 193926257 /nfs/dbraw/zinc/92/62/57/193926257.db2.gz IDRALNGVRUKRPR-ZYHUDNBSSA-N 0 0 322.748 0.907 50 0 DCAARN COc1ccnc(N2CCN(CCCS(C)(=O)=O)CC2)c1 ZINC000104720136 194031224 /nfs/dbraw/zinc/03/12/24/194031224.db2.gz SPPJGWBDKVBBKG-UHFFFAOYSA-N 0 0 313.423 0.647 50 0 DCAARN O=C(CCNc1ncccn1)NCCc1nnc2ccccn21 ZINC000045875986 183534214 /nfs/dbraw/zinc/53/42/14/183534214.db2.gz MFLZHNOPDYOUCX-UHFFFAOYSA-N 0 0 311.349 0.680 50 0 DCAARN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000106510620 194221488 /nfs/dbraw/zinc/22/14/88/194221488.db2.gz SXAUNLLPTSVXTJ-AAVRWANBSA-N 0 0 323.437 0.611 50 0 DCAARN COCC(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2 ZINC000007422486 284786110 /nfs/dbraw/zinc/78/61/10/284786110.db2.gz FPFADOKPEFORAD-UHFFFAOYSA-N 0 0 303.322 0.338 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)NCc1ccc(C(N)=O)cc1 ZINC000049223938 183720112 /nfs/dbraw/zinc/72/01/12/183720112.db2.gz FTJIPZIVKHJSTD-NSHDSACASA-N 0 0 301.350 0.870 50 0 DCAARN C[C@H](NC(=O)COc1ccc(N2CCCC2=O)cc1)C(N)=O ZINC000053331324 183898850 /nfs/dbraw/zinc/89/88/50/183898850.db2.gz SYIVLQINLWIDMV-JTQLQIEISA-N 0 0 305.334 0.182 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCC(Oc2ccccc2)CC1 ZINC000056377632 184011928 /nfs/dbraw/zinc/01/19/28/184011928.db2.gz HRPUJIFARIHAQD-ZDUSSCGKSA-N 0 0 317.345 0.655 50 0 DCAARN CCS(=O)(=O)CC(=O)Nc1cccnc1-n1ccnc1C ZINC000057223808 184029916 /nfs/dbraw/zinc/02/99/16/184029916.db2.gz OAGDRELHEPODFL-UHFFFAOYSA-N 0 0 308.363 0.949 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)NCc1ccc(-n2cccn2)cc1 ZINC000057368099 184036229 /nfs/dbraw/zinc/03/62/29/184036229.db2.gz GPYXBVVLJMFBRD-GFCCVEGCSA-N 0 0 313.317 0.087 50 0 DCAARN CCn1c(SCC(=O)NCCOC)nc2cc(C)[nH]c2c1=O ZINC000057521754 184040875 /nfs/dbraw/zinc/04/08/75/184040875.db2.gz GQAQSXPNNQAMNV-UHFFFAOYSA-N 0 0 324.406 0.908 50 0 DCAARN CN(C1CCCCC1)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000057875758 184060305 /nfs/dbraw/zinc/06/03/05/184060305.db2.gz UUOJFLWOUDDAAB-UHFFFAOYSA-N 0 0 310.441 0.226 50 0 DCAARN O=C(Nc1cn[nH]c1)N1CCCN(C(=O)Nc2cn[nH]c2)CC1 ZINC000058078327 184073275 /nfs/dbraw/zinc/07/32/75/184073275.db2.gz KVXMEGCAXNFIND-UHFFFAOYSA-N 0 0 318.341 0.905 50 0 DCAARN C[C@@H]1CCC[C@H](C)N1C(=O)CN1C(=O)NC2(CCOCC2)C1=O ZINC000057947569 184063762 /nfs/dbraw/zinc/06/37/62/184063762.db2.gz WNOXVIXMLLDRLJ-TXEJJXNPSA-N 0 0 323.393 0.877 50 0 DCAARN NC(=O)[C@@H]1CCCN(CN2C(=O)NC3(CCCCCC3)C2=O)C1 ZINC000058169425 184083875 /nfs/dbraw/zinc/08/38/75/184083875.db2.gz FGALAXFDNLVKKG-GFCCVEGCSA-N 0 0 322.409 0.786 50 0 DCAARN CC(C)N1C(=O)CN(CN2CCC(NC(=O)C3CC3)CC2)C1=O ZINC000058171817 184084403 /nfs/dbraw/zinc/08/44/03/184084403.db2.gz QNMMUCCIRAXLAE-UHFFFAOYSA-N 0 0 322.409 0.607 50 0 DCAARN CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(-n2cnnn2)cc1 ZINC000058210247 184088524 /nfs/dbraw/zinc/08/85/24/184088524.db2.gz XMFUMHIMFXDQCB-LLVKDONJSA-N 0 0 316.365 0.697 50 0 DCAARN O=C(COc1cc(F)cc(F)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000058343694 184107184 /nfs/dbraw/zinc/10/71/84/184107184.db2.gz XUVDOBSQSRANEZ-SNVBAGLBSA-N 0 0 305.302 0.647 50 0 DCAARN Cc1cc(C(=O)NC2CCN(CC(=O)NCC(C)C)CC2)no1 ZINC000058343985 184107200 /nfs/dbraw/zinc/10/72/00/184107200.db2.gz LLBBSVGLBWTZCU-UHFFFAOYSA-N 0 0 322.409 0.949 50 0 DCAARN CCOc1ccc(C(=O)N(CC)[C@H]2CC(=O)NC2=O)cc1OC ZINC000058248977 184095012 /nfs/dbraw/zinc/09/50/12/184095012.db2.gz OZABIAWSTLIDRH-NSHDSACASA-N 0 0 320.345 0.971 50 0 DCAARN CCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O ZINC000058293180 184101599 /nfs/dbraw/zinc/10/15/99/184101599.db2.gz HLVXYRQVYWLXRZ-CYBMUJFWSA-N 0 0 324.362 0.361 50 0 DCAARN CC(=O)Nc1nc(Cn2c(=O)onc2-c2ncccn2)cs1 ZINC000058295040 184101737 /nfs/dbraw/zinc/10/17/37/184101737.db2.gz UCBKLUSKJVCIIU-UHFFFAOYSA-N 0 0 318.318 0.757 50 0 DCAARN OCCn1nccc1C1CCN(c2ccc3nnnn3n2)CC1 ZINC000058296435 184102380 /nfs/dbraw/zinc/10/23/80/184102380.db2.gz BDBQJYOPXWRUOR-UHFFFAOYSA-N 0 0 314.353 0.092 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000058297336 184102408 /nfs/dbraw/zinc/10/24/08/184102408.db2.gz XZDCPVDGMVPTDI-UHFFFAOYSA-N 0 0 314.363 0.012 50 0 DCAARN CCc1cc(NC(=O)C2CCN(S(=O)(=O)CC)CC2)n[nH]1 ZINC000058313556 184104113 /nfs/dbraw/zinc/10/41/13/184104113.db2.gz CQTYLOQNEZINAA-UHFFFAOYSA-N 0 0 314.411 0.972 50 0 DCAARN CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)C(C)C)c1 ZINC000058328464 184105605 /nfs/dbraw/zinc/10/56/05/184105605.db2.gz UYJLFKYPMHQNRK-SNVBAGLBSA-N 0 0 320.436 0.918 50 0 DCAARN NC(=O)CCCNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000061572007 184175341 /nfs/dbraw/zinc/17/53/41/184175341.db2.gz XIWLTTDTLUACCN-UHFFFAOYSA-N 0 0 316.361 0.547 50 0 DCAARN O=C(N[C@H]1CCSC1=O)C1CN(C(=O)c2cccs2)C1 ZINC000062022613 184201714 /nfs/dbraw/zinc/20/17/14/184201714.db2.gz QHNSYHJGFXROBU-VIFPVBQESA-N 0 0 310.400 0.968 50 0 DCAARN COc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nn1 ZINC000062022526 184201924 /nfs/dbraw/zinc/20/19/24/184201924.db2.gz MSYUFUKHLKRLDY-UHFFFAOYSA-N 0 0 316.317 0.676 50 0 DCAARN CC(C)NC(=O)CN1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000064888541 184305875 /nfs/dbraw/zinc/30/58/75/184305875.db2.gz YXAGRFSEWLQWAQ-UHFFFAOYSA-N 0 0 321.352 0.521 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN=C2N2CCOCC2)cc1 ZINC000064929768 184306048 /nfs/dbraw/zinc/30/60/48/184306048.db2.gz DTTPNFOMLKNUJL-UHFFFAOYSA-N 0 0 309.391 0.688 50 0 DCAARN Cn1ncc2c1nc(CN1CCO[C@@H]3CCCC[C@@H]31)[nH]c2=O ZINC000065415517 184340564 /nfs/dbraw/zinc/34/05/64/184340564.db2.gz MBOFAVLDYLZRMR-NWDGAFQWSA-N 0 0 303.366 0.800 50 0 DCAARN Cc1ccccc1SCC(=O)N1CCN2CCNC(=O)[C@H]2C1 ZINC000065493874 184354186 /nfs/dbraw/zinc/35/41/86/184354186.db2.gz ZAFMJKRGHVXKTG-CYBMUJFWSA-N 0 0 319.430 0.730 50 0 DCAARN COC[C@H](O)CN(C)C(=O)NCc1nncn1-c1ccccc1 ZINC000065417375 184341274 /nfs/dbraw/zinc/34/12/74/184341274.db2.gz QPBHMDGZDOIXFF-CYBMUJFWSA-N 0 0 319.365 0.416 50 0 DCAARN COc1cc(NC[C@@H]2CCCN(S(C)(=O)=O)C2)ncn1 ZINC000065436128 184344641 /nfs/dbraw/zinc/34/46/41/184344641.db2.gz QLIFATPPIKSERA-JTQLQIEISA-N 0 0 300.384 0.569 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)NCC(C)(C)N1CCOCC1 ZINC000065453117 184346970 /nfs/dbraw/zinc/34/69/70/184346970.db2.gz SQPJBRKZCUWNDS-CYBMUJFWSA-N 0 0 309.414 0.682 50 0 DCAARN CC(C)C[C@H](NCC(=O)Nc1cnccn1)c1ncnn1C ZINC000065493209 184354422 /nfs/dbraw/zinc/35/44/22/184354422.db2.gz NUQNULVVMLVFTL-NSHDSACASA-N 0 0 303.370 0.921 50 0 DCAARN CCOc1ccccc1-n1c(=O)[nH]nc1[C@H]1CC(=O)N(C)C1 ZINC000065525603 184359376 /nfs/dbraw/zinc/35/93/76/184359376.db2.gz SYGJBLZCPUGEHC-JTQLQIEISA-N 0 0 302.334 0.905 50 0 DCAARN Cc1noc(C2CCN([C@H](C)C(=O)N3CCOCC3)CC2)n1 ZINC000065541583 184363575 /nfs/dbraw/zinc/36/35/75/184363575.db2.gz HHSLRBLDISOZMH-LLVKDONJSA-N 0 0 308.382 0.805 50 0 DCAARN CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 ZINC000065543214 184363878 /nfs/dbraw/zinc/36/38/78/184363878.db2.gz UMWULRALPRKUCB-UHFFFAOYSA-N 0 0 324.402 0.768 50 0 DCAARN Cn1cc(C(=O)NCCS(=O)(=O)c2ccccc2)ccc1=O ZINC000065552661 184365145 /nfs/dbraw/zinc/36/51/45/184365145.db2.gz ORPWFHJKJBYWBJ-UHFFFAOYSA-N 0 0 320.370 0.589 50 0 DCAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cnn(C)c2)nc1 ZINC000065565356 184366696 /nfs/dbraw/zinc/36/66/96/184366696.db2.gz SGRVBNBMKHNTAS-UHFFFAOYSA-N 0 0 323.378 0.383 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000065604393 184371783 /nfs/dbraw/zinc/37/17/83/184371783.db2.gz PDVVGJGPBYNFDP-GFCCVEGCSA-N 0 0 313.423 0.615 50 0 DCAARN NC(=O)CN1CCCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000065514790 184358111 /nfs/dbraw/zinc/35/81/11/184358111.db2.gz UKCRXGWZJPTGRO-UHFFFAOYSA-N 0 0 301.350 0.196 50 0 DCAARN O=C1CN(Cc2ccc(Cl)nc2)C(=O)[C@@H]2C[C@H](O)CCN12 ZINC000065387180 296335093 /nfs/dbraw/zinc/33/50/93/296335093.db2.gz QKMSBPLGMHIOCV-MNOVXSKESA-N 0 0 309.753 0.429 50 0 DCAARN O=C1Nc2ccc(Br)cc2[C@@]1(O)N1CCOCC1 ZINC000004164591 296399802 /nfs/dbraw/zinc/39/98/02/296399802.db2.gz OXYSQVHVWYQBAL-LBPRGKRZSA-N 0 0 313.151 0.879 50 0 DCAARN CCOC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(OC)c1 ZINC000055008583 256537408 /nfs/dbraw/zinc/53/74/08/256537408.db2.gz UNAWHJLPLGCWPN-AWEZNQCLSA-N 0 0 306.362 0.949 50 0 DCAARN CN(C)C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O ZINC000058158201 256537972 /nfs/dbraw/zinc/53/79/72/256537972.db2.gz GOJOBQUNYBHXIU-CYBMUJFWSA-N 0 0 314.345 0.719 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)NC[C@](C)(O)c1ccco1 ZINC000096026003 256552386 /nfs/dbraw/zinc/55/23/86/256552386.db2.gz GFOIZINNDWAALQ-ZDUSSCGKSA-N 0 0 313.379 0.816 50 0 DCAARN COC(=O)CCNC(=O)c1c2c(sc1-n1cnnn1)CCC2 ZINC000524734591 257213720 /nfs/dbraw/zinc/21/37/20/257213720.db2.gz SRBGOOZPBPBSQH-UHFFFAOYSA-N 0 0 321.362 0.505 50 0 DCAARN COc1nnnn1-c1cc(NC2=CC(=O)NC2)ccc1OC ZINC000524733706 257213848 /nfs/dbraw/zinc/21/38/48/257213848.db2.gz HYPJNYAPFJVQCB-UHFFFAOYSA-N 0 0 302.294 0.105 50 0 DCAARN COc1ncccc1C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000106030735 257273016 /nfs/dbraw/zinc/27/30/16/257273016.db2.gz CDVPAICUCDUIIK-UHFFFAOYSA-N 0 0 315.377 0.782 50 0 DCAARN Cc1cc(=O)c(C(=O)NCC(C)(C)N2CCOCC2)cn1C ZINC000426551030 257246738 /nfs/dbraw/zinc/24/67/38/257246738.db2.gz FOXNMCNXFZUCEU-UHFFFAOYSA-N 0 0 307.394 0.534 50 0 DCAARN O=C(NCCc1noc(CO)n1)c1ccccc1-n1cnnc1 ZINC000426551953 257246857 /nfs/dbraw/zinc/24/68/57/257246857.db2.gz ITBLYZCBYBMKRN-UHFFFAOYSA-N 0 0 314.305 0.115 50 0 DCAARN CSCCC(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O ZINC000426493157 257248267 /nfs/dbraw/zinc/24/82/67/257248267.db2.gz JMNWUYYHSWBJOF-VXGBXAGGSA-N 0 0 315.464 0.948 50 0 DCAARN CC(C)C(=O)N1CCn2nc(CNC(=O)[C@@H]3CCOC3)cc2C1 ZINC000426485725 257249122 /nfs/dbraw/zinc/24/91/22/257249122.db2.gz LQPPJKVIVXHFAD-GFCCVEGCSA-N 0 0 320.393 0.534 50 0 DCAARN Cc1ncc(C(=O)NCC[C@H]2CCCCN2S(C)(=O)=O)[nH]1 ZINC000426440382 257250331 /nfs/dbraw/zinc/25/03/31/257250331.db2.gz VPSZRQZOLQIBKD-LLVKDONJSA-N 0 0 314.411 0.652 50 0 DCAARN COCCN(Cc1c(C)nn(C)c1C)C(=O)c1cncc(=O)[nH]1 ZINC000426429043 257250357 /nfs/dbraw/zinc/25/03/57/257250357.db2.gz WOPDCARDZRUQHD-UHFFFAOYSA-N 0 0 319.365 0.409 50 0 DCAARN NC(=O)[C@@H]1CCCN1C(=O)NCc1nc(-c2ccccn2)no1 ZINC000426444826 257250474 /nfs/dbraw/zinc/25/04/74/257250474.db2.gz ASFHPNRCEFJNPX-JTQLQIEISA-N 0 0 316.321 0.291 50 0 DCAARN Cc1nn(C)c(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)c1Cl ZINC000426408874 257251903 /nfs/dbraw/zinc/25/19/03/257251903.db2.gz BJXFCFHHLKBMGL-UWVGGRQHSA-N 0 0 301.774 0.992 50 0 DCAARN CN(Cc1[nH]nc2c1CCCC2)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000426388618 257252457 /nfs/dbraw/zinc/25/24/57/257252457.db2.gz YUACEXSJWVKYPO-JTQLQIEISA-N 0 0 311.407 0.682 50 0 DCAARN CCCC1(C(=O)[O-])CCN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000426397630 257252649 /nfs/dbraw/zinc/25/26/49/257252649.db2.gz TVCFMWRDRYILRI-CYBMUJFWSA-N 0 0 312.410 0.937 50 0 DCAARN NC(=O)CN(C(=O)CCCNc1ncccn1)C1CCCC1 ZINC000071821139 184853184 /nfs/dbraw/zinc/85/31/84/184853184.db2.gz QXEFQOLQRQHNEV-UHFFFAOYSA-N 0 0 305.382 0.925 50 0 DCAARN CS(=O)(=O)c1ccc(OCCCN2CCNC(=O)C2)cc1 ZINC000071842039 184866006 /nfs/dbraw/zinc/86/60/06/184866006.db2.gz NPTATZWLYRANPK-UHFFFAOYSA-N 0 0 312.391 0.291 50 0 DCAARN NC(=O)[C@@H]1CN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CCO1 ZINC000071847853 184868177 /nfs/dbraw/zinc/86/81/77/184868177.db2.gz KRMSRAUSMRJEOF-UONOGXRCSA-N 0 0 321.352 0.332 50 0 DCAARN CC(C)c1nnc2n1CCN(CC(=O)Nc1nncs1)C2 ZINC000071871972 184879772 /nfs/dbraw/zinc/87/97/72/184879772.db2.gz QDDRBPYKAJMEKN-UHFFFAOYSA-N 0 0 307.383 0.707 50 0 DCAARN CCN(CCCNc1nc(C)cc(OC)n1)S(C)(=O)=O ZINC000069664594 184834797 /nfs/dbraw/zinc/83/47/97/184834797.db2.gz JOQQCTAWHUCZKR-UHFFFAOYSA-N 0 0 302.400 0.877 50 0 DCAARN Cc1cc(F)ccc1S(=O)(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000282183568 130905311 /nfs/dbraw/zinc/90/53/11/130905311.db2.gz ZNOVKRSDBGWCRO-JTQLQIEISA-N 0 0 300.355 0.985 50 0 DCAARN Cc1nn(C)c(C)c1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000011546126 134497994 /nfs/dbraw/zinc/49/79/94/134497994.db2.gz ZFTJNVRFFRGBCP-UHFFFAOYSA-N 0 0 314.393 0.718 50 0 DCAARN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)nc1)n1cncn1 ZINC000027585635 134668269 /nfs/dbraw/zinc/66/82/69/134668269.db2.gz KOEJAJCNNVHDCO-NSHDSACASA-N 0 0 302.338 0.709 50 0 DCAARN C[C@H](NC(=O)C1CC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000040511870 134713835 /nfs/dbraw/zinc/71/38/35/134713835.db2.gz ODKGSQYCDDUHBR-NSHDSACASA-N 0 0 303.366 0.040 50 0 DCAARN O=C(Nc1ccccn1)[C@@H]1CCCN(c2ccc3nnnn3n2)C1 ZINC000047254150 134748404 /nfs/dbraw/zinc/74/84/04/134748404.db2.gz XGGMZYHJPQEMPN-LLVKDONJSA-N 0 0 324.348 0.769 50 0 DCAARN C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCNC1=O ZINC000009218270 395685202 /nfs/dbraw/zinc/68/52/02/395685202.db2.gz ZLVBKTCVKMXGRP-QMMMGPOBSA-N 0 0 306.274 0.512 50 0 DCAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NC3CC3)[C@@H]4C2=O)no1 ZINC000009134518 395685228 /nfs/dbraw/zinc/68/52/28/395685228.db2.gz QNXVVHRREVQGSO-QZDOHJIMSA-N 0 0 315.329 0.548 50 0 DCAARN CSCc1nnc(S[C@@H](C)C(=O)N2CCNC2=O)o1 ZINC000009457154 395685261 /nfs/dbraw/zinc/68/52/61/395685261.db2.gz FEUJIWALYPIAFI-LURJTMIESA-N 0 0 302.381 0.965 50 0 DCAARN CNC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000009621891 395685392 /nfs/dbraw/zinc/68/53/92/395685392.db2.gz UTVHEWNVQVPLSC-UHFFFAOYSA-N 0 0 315.358 0.947 50 0 DCAARN Cn1ncc2c1ncnc2Nc1ccc(S(N)(=O)=O)cc1 ZINC000009532174 395685442 /nfs/dbraw/zinc/68/54/42/395685442.db2.gz QRAVPSZUJAXSQH-UHFFFAOYSA-N 0 0 304.335 0.754 50 0 DCAARN COCCNC(=O)CNC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000010023886 395685729 /nfs/dbraw/zinc/68/57/29/395685729.db2.gz STAXKYCWHAZUKL-UHFFFAOYSA-N 0 0 305.334 0.064 50 0 DCAARN O=C(NCCCN1CCCC1=O)C(=O)NCCc1ccccc1 ZINC000010327125 395686070 /nfs/dbraw/zinc/68/60/70/395686070.db2.gz TXZMYXLFYUWXJA-UHFFFAOYSA-N 0 0 317.389 0.474 50 0 DCAARN O=C(Cn1nnn(-c2cccs2)c1=O)Nc1nccs1 ZINC000010508406 395686079 /nfs/dbraw/zinc/68/60/79/395686079.db2.gz YXONQEACNWYWPD-UHFFFAOYSA-N 0 0 308.348 0.586 50 0 DCAARN NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000010746823 395686214 /nfs/dbraw/zinc/68/62/14/395686214.db2.gz QGIXUFUXJSUWEE-GFCCVEGCSA-N 0 0 323.374 0.210 50 0 DCAARN COc1cc(S(=O)(=O)N(CCO)CCO)c(C)cc1C ZINC000011566242 395686750 /nfs/dbraw/zinc/68/67/50/395686750.db2.gz TUHTYUFTWGQQTI-UHFFFAOYSA-N 0 0 303.380 0.287 50 0 DCAARN C[C@H](O)Cn1c2c(nc1N1CCC[C@@H](C)C1)n(C)c(=O)[nH]c2=O ZINC000012289088 395687178 /nfs/dbraw/zinc/68/71/78/395687178.db2.gz HCCSGHREVNYPGU-ZJUUUORDSA-N 0 0 321.381 0.040 50 0 DCAARN CCS(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)N(C)C ZINC000012196487 395687220 /nfs/dbraw/zinc/68/72/20/395687220.db2.gz WOXNTZSVKQPBEE-LLVKDONJSA-N 0 0 300.380 0.957 50 0 DCAARN Cc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)nnn1-c1ccccc1 ZINC000012274109 395687240 /nfs/dbraw/zinc/68/72/40/395687240.db2.gz HQZQDXXAGIRQSI-LLVKDONJSA-N 0 0 320.374 0.493 50 0 DCAARN COCCN1C[C@H](C(=O)NCc2cccc(C)n2)CCC1=O ZINC000012305782 395687372 /nfs/dbraw/zinc/68/73/72/395687372.db2.gz GTJQFKMHTDSHDI-CYBMUJFWSA-N 0 0 305.378 0.891 50 0 DCAARN Cn1c2sc(C(=O)NCc3ccco3)cc2c(=O)n(C)c1=O ZINC000012422728 395687645 /nfs/dbraw/zinc/68/76/45/395687645.db2.gz RKIVOQYVIYNYSV-UHFFFAOYSA-N 0 0 319.342 0.822 50 0 DCAARN COCCn1c2nc(C)cc(C(=O)OC)c2c(=O)[nH]c1=S ZINC000012394826 395687670 /nfs/dbraw/zinc/68/76/70/395687670.db2.gz DSIAYRFORCXPSA-UHFFFAOYSA-N 0 0 309.347 0.822 50 0 DCAARN Cn1nccc1C(=O)NCc1cccnc1N1CCOCC1 ZINC000012582580 395687924 /nfs/dbraw/zinc/68/79/24/395687924.db2.gz XXFISCCBTILAJG-UHFFFAOYSA-N 0 0 301.350 0.582 50 0 DCAARN CC(C)[C@H](C)NC(=O)COC(=O)c1cccc(-n2cnnn2)c1 ZINC000012795918 395688021 /nfs/dbraw/zinc/68/80/21/395688021.db2.gz DCAOWNNWWYHWON-NSHDSACASA-N 0 0 317.349 0.980 50 0 DCAARN CNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012824993 395688055 /nfs/dbraw/zinc/68/80/55/395688055.db2.gz RRWMLDBTVWHBGX-UHFFFAOYSA-N 0 0 312.391 0.386 50 0 DCAARN O=C(CCNC(=O)c1ccco1)N1CCN(C(=O)C2CC2)CC1 ZINC000012904707 395688098 /nfs/dbraw/zinc/68/80/98/395688098.db2.gz SZWOGCZCFIBVKJ-UHFFFAOYSA-N 0 0 319.361 0.480 50 0 DCAARN O=C1CN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CCN1 ZINC000012875842 395688190 /nfs/dbraw/zinc/68/81/90/395688190.db2.gz UNLZBCJIGFPMQN-GDBMZVCRSA-N 0 0 304.390 0.873 50 0 DCAARN O=C(Nc1ccc2c(c1)NC(=O)CO2)[C@H]1CCS(=O)(=O)C1 ZINC000012886150 395688202 /nfs/dbraw/zinc/68/82/02/395688202.db2.gz BQGIVPSXHDDIDO-QMMMGPOBSA-N 0 0 310.331 0.391 50 0 DCAARN Nc1ncccc1C(=O)OCC(=O)NC(=O)NC1CCCCC1 ZINC000012927232 395688226 /nfs/dbraw/zinc/68/82/26/395688226.db2.gz CBTMPBZXVUOSLK-UHFFFAOYSA-N 0 0 320.349 0.979 50 0 DCAARN O=c1n2ccccc2nn1CN1CCN(c2cnccn2)CC1 ZINC000012914282 395688228 /nfs/dbraw/zinc/68/82/28/395688228.db2.gz VDLZIVNEJUOKIF-UHFFFAOYSA-N 0 0 311.349 0.066 50 0 DCAARN O=C1CCC(=O)N1c1nc2n(n1)[C@H](c1ccccc1)CC(=O)N2 ZINC000013127774 395688475 /nfs/dbraw/zinc/68/84/75/395688475.db2.gz PUFPBOBOSCOBPR-JTQLQIEISA-N 0 0 311.301 0.863 50 0 DCAARN COc1ccc(CN2C(=S)N[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000013692411 395688767 /nfs/dbraw/zinc/68/87/67/395688767.db2.gz IJCAPWMYIMIKMW-VXGBXAGGSA-N 0 0 312.416 0.551 50 0 DCAARN COC(=O)/C=c1/sc2nc3sc(C)c(C)c3c(=O)n2c1=O ZINC000013750670 395688925 /nfs/dbraw/zinc/68/89/25/395688925.db2.gz KBKNZWQYPPTNRG-QPJJXVBHSA-N 0 0 322.367 0.620 50 0 DCAARN O=C(CN1CCNC(=O)C1)N1CCS[C@H]1c1ccccc1F ZINC000014018173 395689022 /nfs/dbraw/zinc/68/90/22/395689022.db2.gz JBIAQMHHADCHNC-HNNXBMFYSA-N 0 0 323.393 0.832 50 0 DCAARN COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn32)c(OC)c1 ZINC000013725409 395689035 /nfs/dbraw/zinc/68/90/35/395689035.db2.gz YNHXGJGXESRQCA-SNVBAGLBSA-N 0 0 317.305 0.817 50 0 DCAARN C[C@@H](C(N)=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000014083234 395689065 /nfs/dbraw/zinc/68/90/65/395689065.db2.gz MYTDISHZPPWQHZ-NSHDSACASA-N 0 0 311.407 0.303 50 0 DCAARN C[C@H](OC(=O)c1cc(S(N)(=O)=O)ccc1Cl)C(N)=O ZINC000014244221 395689527 /nfs/dbraw/zinc/68/95/27/395689527.db2.gz WQEJAWWZRKCUCE-YFKPBYRVSA-N 0 0 306.727 0.018 50 0 DCAARN C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cccc(Cl)c3)CN2C1=O ZINC000014741946 395689600 /nfs/dbraw/zinc/68/96/00/395689600.db2.gz SXQXFIZPKJGOAR-ZHAHWJHGSA-N 0 0 321.764 0.558 50 0 DCAARN COC(=O)[C@H](NC(=O)N1CCC(C(=O)OC)CC1)C(C)C ZINC000016021120 395690165 /nfs/dbraw/zinc/69/01/65/395690165.db2.gz GNORATCTGMHAGD-LLVKDONJSA-N 0 0 300.355 0.779 50 0 DCAARN CC(NCC[NH+](C)C)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000020359644 395691263 /nfs/dbraw/zinc/69/12/63/395691263.db2.gz JUQSNLHMUPRSLX-ACCUITESSA-N 0 0 316.361 0.695 50 0 DCAARN OCCN1CCN(c2nncc(-c3ccc(F)cc3)n2)CC1 ZINC000020995751 395691440 /nfs/dbraw/zinc/69/14/40/395691440.db2.gz ZWFVLYOKYGMDLM-UHFFFAOYSA-N 0 0 303.341 0.792 50 0 DCAARN Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCC(C)C ZINC000022242997 395691723 /nfs/dbraw/zinc/69/17/23/395691723.db2.gz WFAIXWAGCNMRAW-UHFFFAOYSA-N 0 0 322.409 0.620 50 0 DCAARN COc1cc(C(=O)NN2CCN(C)CC2)cc(OC)c1OC ZINC000000168530 395679945 /nfs/dbraw/zinc/67/99/45/395679945.db2.gz YGOSHSDGRPRRRK-UHFFFAOYSA-N 0 0 309.366 0.605 50 0 DCAARN OCC(CO)(CO)NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000000139811 395679994 /nfs/dbraw/zinc/67/99/94/395679994.db2.gz UJTYMIZRIRVIAQ-UHFFFAOYSA-N 0 0 308.762 0.481 50 0 DCAARN CCn1c(S[C@@H](C)C(C)=O)nc2c1c(=O)n(C)c(=O)n2C ZINC000000351122 395680262 /nfs/dbraw/zinc/68/02/62/395680262.db2.gz NMJQRXAWPUPDGX-QMMMGPOBSA-N 0 0 310.379 0.523 50 0 DCAARN O=c1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCCC4)[nH]c(=O)[nH]1 ZINC000000974174 395680671 /nfs/dbraw/zinc/68/06/71/395680671.db2.gz PTUJLXORDCVGOI-NSHDSACASA-N 0 0 318.358 0.858 50 0 DCAARN CCC[NH+](CCC)Cc1c(C(=O)[O-])nnn1-c1nonc1N ZINC000001446126 395680765 /nfs/dbraw/zinc/68/07/65/395680765.db2.gz VDUVOIKYAFWASW-UHFFFAOYSA-N 0 0 309.330 0.553 50 0 DCAARN Cc1nn(Cc2noc(C(N)=O)n2)c(C)c1Br ZINC000001432160 395680772 /nfs/dbraw/zinc/68/07/72/395680772.db2.gz DTGCXSMPZLQYOE-UHFFFAOYSA-N 0 0 300.116 0.793 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCCC[C@H]([NH3+])C(=O)[O-])cc1 ZINC000001693735 395681186 /nfs/dbraw/zinc/68/11/86/395681186.db2.gz FRJAAXSHLGSWAP-LBPRGKRZSA-N 0 0 300.380 0.856 50 0 DCAARN CCN(CC)C(=O)CN(C#N)c1nc(OC)nc(N(C)C)n1 ZINC000002266758 395681410 /nfs/dbraw/zinc/68/14/10/395681410.db2.gz KAFQKYBXVNYWFF-UHFFFAOYSA-N 0 0 307.358 0.102 50 0 DCAARN CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1cccc(F)c1 ZINC000002499429 395681498 /nfs/dbraw/zinc/68/14/98/395681498.db2.gz RUAZMOQGFMUULG-GFCCVEGCSA-N 0 0 316.354 0.704 50 0 DCAARN CCOC(=O)[C@@H]1C(=O)NC(N2CCOCC2)=N[C@@H]1c1ccco1 ZINC000002436911 395681609 /nfs/dbraw/zinc/68/16/09/395681609.db2.gz UUNXEQBSBBXKBH-NWDGAFQWSA-N 0 0 321.333 0.318 50 0 DCAARN Cn1c(=O)cc(NC(=O)Cc2ccc(Cl)cc2)n(C)c1=O ZINC000002737763 395681859 /nfs/dbraw/zinc/68/18/59/395681859.db2.gz PMVVWHVRGCBMDV-UHFFFAOYSA-N 0 0 307.737 0.919 50 0 DCAARN COCCNC(=O)CCNS(=O)(=O)c1ccc(OC)cc1 ZINC000003020067 395682136 /nfs/dbraw/zinc/68/21/36/395682136.db2.gz MUYMSAIVCYHSAS-UHFFFAOYSA-N 0 0 316.379 0.126 50 0 DCAARN CSCC[C@H]1C(=O)N(N)[C@@]2(C)CC(C)(C)NC(=S)N12 ZINC000002927900 395682199 /nfs/dbraw/zinc/68/21/99/395682199.db2.gz PGHZXVVGWZXWKS-UFBFGSQYSA-N 0 0 302.469 0.899 50 0 DCAARN CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(OC)c1 ZINC000003118734 395682265 /nfs/dbraw/zinc/68/22/65/395682265.db2.gz YTPNSCRSXWHUMV-CYBMUJFWSA-N 0 0 320.345 0.589 50 0 DCAARN COC(=O)CCS(=O)(=O)CN1C(=O)c2ccccc2C1=O ZINC000005526149 395682794 /nfs/dbraw/zinc/68/27/94/395682794.db2.gz WZJVSBYSYVIUMT-UHFFFAOYSA-N 0 0 311.315 0.218 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc[nH]2)c1 ZINC000006943364 395683076 /nfs/dbraw/zinc/68/30/76/395683076.db2.gz NLEPUZOSVZOFCF-UHFFFAOYSA-N 0 0 322.342 0.963 50 0 DCAARN CNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000006949118 395683194 /nfs/dbraw/zinc/68/31/94/395683194.db2.gz PUDJYUOHTVVUEP-UHFFFAOYSA-N 0 0 301.368 0.438 50 0 DCAARN C[C@H](C(=O)NCc1cccnc1N1CCOCC1)n1cncn1 ZINC000029957729 395701118 /nfs/dbraw/zinc/70/11/18/395701118.db2.gz UCUGNTDYZYOBSH-GFCCVEGCSA-N 0 0 316.365 0.387 50 0 DCAARN Cn1nc(N2CCC(C(=O)NCC(F)(F)F)CC2)ccc1=O ZINC000085470929 395701647 /nfs/dbraw/zinc/70/16/47/395701647.db2.gz FOKQGWCBOIWZAB-UHFFFAOYSA-N 0 0 318.299 0.675 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)NCCCn2cccn2)cc1 ZINC000030167878 395701814 /nfs/dbraw/zinc/70/18/14/395701814.db2.gz CWEGEUXVCQQGMH-UHFFFAOYSA-N 0 0 322.390 0.611 50 0 DCAARN CCN(CC(C)C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000031376143 395706674 /nfs/dbraw/zinc/70/66/74/395706674.db2.gz LDSKUTQYUOTUPK-UHFFFAOYSA-N 0 0 318.377 0.750 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)CN1C(=O)COc2ccccc21 ZINC000031390546 395706751 /nfs/dbraw/zinc/70/67/51/395706751.db2.gz IFIMRXGLHRZRIY-GFCCVEGCSA-N 0 0 314.345 0.813 50 0 DCAARN CNc1snc(C)c1C(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000031505593 395707370 /nfs/dbraw/zinc/70/73/70/395707370.db2.gz XSPNACFFPZKDMQ-UHFFFAOYSA-N 0 0 311.411 0.933 50 0 DCAARN Cn1c(=O)[nH]c(=O)c2ccc(C(=O)NCCC3CCCC3)nc21 ZINC000031931697 395708643 /nfs/dbraw/zinc/70/86/43/395708643.db2.gz IOBHENULOZOSHD-UHFFFAOYSA-N 0 0 316.361 0.932 50 0 DCAARN COCCNC(=O)c1c2c(sc1-n1cnnn1)CCCC2 ZINC000032093672 395709307 /nfs/dbraw/zinc/70/93/07/395709307.db2.gz VCMNVEAGLDQJAA-UHFFFAOYSA-N 0 0 307.379 0.979 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)CCCn3cncn3)CCO2)[nH]1 ZINC000089289735 395709532 /nfs/dbraw/zinc/70/95/32/395709532.db2.gz JJWSFEPYPOLKDQ-LLVKDONJSA-N 0 0 319.369 0.339 50 0 DCAARN CN(Cc1ccc2c(c1)OCO2)C(=O)C1=NN(C)C(=O)CC1 ZINC000032209514 395709619 /nfs/dbraw/zinc/70/96/19/395709619.db2.gz ZAFLHOXHPXVKDS-UHFFFAOYSA-N 0 0 303.318 0.982 50 0 DCAARN COCCCNC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000032648117 395712023 /nfs/dbraw/zinc/71/20/23/395712023.db2.gz KNSXOLHDUYCHBD-NSHDSACASA-N 0 0 304.350 0.478 50 0 DCAARN CNC(=O)C(C)(C)CNC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000089502474 395712547 /nfs/dbraw/zinc/71/25/47/395712547.db2.gz MGBSUDKGBXLEMI-UHFFFAOYSA-N 0 0 309.366 0.920 50 0 DCAARN Cc1nc(N2CCN(C(=O)CNC(=O)C3CC3)CC2)sc1C ZINC000089562520 395712803 /nfs/dbraw/zinc/71/28/03/395712803.db2.gz DULYVPUJBMTJLS-UHFFFAOYSA-N 0 0 322.434 0.935 50 0 DCAARN O=C(CN1CCC[C@@H]1C(=O)NCc1ccco1)N1CCOCC1 ZINC000032804083 395713789 /nfs/dbraw/zinc/71/37/89/395713789.db2.gz YUWBQSXPBFBIJT-CQSZACIVSA-N 0 0 321.377 0.219 50 0 DCAARN O=C(c1ccccc1CN1C(=O)CNC1=O)N1CCOCC1 ZINC000032879128 395714282 /nfs/dbraw/zinc/71/42/82/395714282.db2.gz TWOWWDPAOLBNDF-UHFFFAOYSA-N 0 0 303.318 0.211 50 0 DCAARN Cc1nnc2ccc(C(=O)N3CCN(C[C@H](C)O)CC3)cn12 ZINC000089740911 395714488 /nfs/dbraw/zinc/71/44/88/395714488.db2.gz GPLGIMPQGCNVCC-NSHDSACASA-N 0 0 303.366 0.176 50 0 DCAARN O=C(Cc1csc(N2CCNC2=O)n1)NCC(F)(F)F ZINC000032930987 395714744 /nfs/dbraw/zinc/71/47/44/395714744.db2.gz DSONRHJVFGYTTM-UHFFFAOYSA-N 0 0 308.285 0.894 50 0 DCAARN CNC(=O)[C@@H](C)N1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000032936342 395715039 /nfs/dbraw/zinc/71/50/39/395715039.db2.gz JHUCNIORUKMPSQ-ANRSDYALSA-N 0 0 319.317 0.317 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cnc2ccccc2c1O ZINC000032977429 395715332 /nfs/dbraw/zinc/71/53/32/395715332.db2.gz KTGUQIPJSTUZDS-SECBINFHSA-N 0 0 306.343 0.445 50 0 DCAARN O=C([C@@H]1COCC(=O)N1Cc1ccccc1)N1CCOCC1 ZINC000089834784 395715874 /nfs/dbraw/zinc/71/58/74/395715874.db2.gz VNKVSVISIMWIRI-AWEZNQCLSA-N 0 0 304.346 0.273 50 0 DCAARN CC[C@H](C)OC(=O)C1=C(C)N[C@]2(O)c3ccccc3C(=O)[C@]12O ZINC000033927944 395717683 /nfs/dbraw/zinc/71/76/83/395717683.db2.gz PVEWOSJNEVBRKX-OCAXQNDTSA-N 0 0 317.341 0.978 50 0 DCAARN CN1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 ZINC000036067658 395721897 /nfs/dbraw/zinc/72/18/97/395721897.db2.gz HJPIFEZLHLTCHW-UHFFFAOYSA-N 0 0 308.359 0.729 50 0 DCAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1-n1cnnn1)C(=O)OC ZINC000036580042 395723265 /nfs/dbraw/zinc/72/32/65/395723265.db2.gz DBABZFCBQCUZLJ-GXFFZTMASA-N 0 0 317.349 0.980 50 0 DCAARN O=S(=O)(c1ccc(Cl)c2nonc21)N1CCNCC1 ZINC000036352086 395723396 /nfs/dbraw/zinc/72/33/96/395723396.db2.gz DLZFUDPFIRGUCX-UHFFFAOYSA-N 0 0 302.743 0.470 50 0 DCAARN CC(=O)N1CCN([C@H](C)C(=O)NCCc2cccs2)CC1 ZINC000036390170 395723457 /nfs/dbraw/zinc/72/34/57/395723457.db2.gz MBBMNGZUFLCMFV-GFCCVEGCSA-N 0 0 309.435 0.959 50 0 DCAARN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cn1)n1cncn1 ZINC000027586406 395695265 /nfs/dbraw/zinc/69/52/65/395695265.db2.gz IKQAECSLPHHDKL-NSHDSACASA-N 0 0 302.338 0.709 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCN(c3cnccn3)CC2)no1 ZINC000027634052 395695283 /nfs/dbraw/zinc/69/52/83/395695283.db2.gz JPIWLPDENIVDRO-GFCCVEGCSA-N 0 0 316.365 0.922 50 0 DCAARN CCCCNC(=O)CN1CCN(C(=O)c2cnccn2)CC1 ZINC000028008229 395695717 /nfs/dbraw/zinc/69/57/17/395695717.db2.gz LZCBAFIHAYXOTE-UHFFFAOYSA-N 0 0 305.382 0.151 50 0 DCAARN COC(=O)c1cccc(NC(=O)Cn2ccc(=O)[nH]c2=O)c1C ZINC000029157772 395697107 /nfs/dbraw/zinc/69/71/07/395697107.db2.gz LONADKZMRNRQLT-UHFFFAOYSA-N 0 0 317.301 0.270 50 0 DCAARN C[C@H](C(=O)NC1CC1)N1CCN(Cc2nc(C3CC3)no2)CC1 ZINC000029436009 395698093 /nfs/dbraw/zinc/69/80/93/395698093.db2.gz JZAAMFZRJUZOGD-LLVKDONJSA-N 0 0 319.409 0.732 50 0 DCAARN CC(C)N1C(=O)N[C@]2(CCN(CCOCC(F)(F)F)C2)C1=O ZINC000084597350 395698362 /nfs/dbraw/zinc/69/83/62/395698362.db2.gz QFJQUROVBKUKDE-LBPRGKRZSA-N 0 0 323.315 0.970 50 0 DCAARN CCCNC(=O)NC(=O)CN1CCN(C(=O)C2CCCC2)CC1 ZINC000029661923 395699094 /nfs/dbraw/zinc/69/90/94/395699094.db2.gz YPJGKRSVKBDVNZ-UHFFFAOYSA-N 0 0 324.425 0.557 50 0 DCAARN CCc1nc(CN2CCC[C@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)no1 ZINC000095402592 395740425 /nfs/dbraw/zinc/74/04/25/395740425.db2.gz QRTYIDNOGKTQPB-ZUZCIYMTSA-N 0 0 321.381 0.784 50 0 DCAARN O=C(NCc1cc[nH]n1)NCc1ccc(N2CCOCC2)nc1 ZINC000040553491 395734414 /nfs/dbraw/zinc/73/44/14/395734414.db2.gz MTXOUHKPEJQCGB-UHFFFAOYSA-N 0 0 316.365 0.641 50 0 DCAARN CN(Cc1noc(C2CC2)n1)[C@@H]1CCN([C@@H]2CCOC2=O)C1 ZINC000095402318 395740519 /nfs/dbraw/zinc/74/05/19/395740519.db2.gz RWRYHVFMNGPZLZ-VXGBXAGGSA-N 0 0 306.366 0.769 50 0 DCAARN CC(C)c1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)no1 ZINC000096181196 395746644 /nfs/dbraw/zinc/74/66/44/395746644.db2.gz QHWJOGBNMIZBKL-UHFFFAOYSA-N 0 0 301.368 0.515 50 0 DCAARN Cc1ccc(-c2cc(C(=O)N3CC[C@](C)(O)[C@@H](O)C3)[nH]n2)o1 ZINC000096160275 395746702 /nfs/dbraw/zinc/74/67/02/395746702.db2.gz LXKFMRHELOUZEW-ZFWWWQNUSA-N 0 0 305.334 0.936 50 0 DCAARN COCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(C)cc1 ZINC000096181494 395747268 /nfs/dbraw/zinc/74/72/68/395747268.db2.gz HGYPQANGMMRGMJ-LSDHHAIUSA-N 0 0 306.362 0.656 50 0 DCAARN CCN1CCN(C(=O)CCNC(=O)c2cc(C)nn2C)CC1 ZINC000096192452 395748496 /nfs/dbraw/zinc/74/84/96/395748496.db2.gz IPJBUKIJYIUKLU-UHFFFAOYSA-N 0 0 307.398 0.013 50 0 DCAARN COc1cccc(OCCN(C)C(=O)CN2CCOC2=O)c1 ZINC000096133674 395745578 /nfs/dbraw/zinc/74/55/78/395745578.db2.gz KJDGJJBXANVDHP-UHFFFAOYSA-N 0 0 308.334 0.985 50 0 DCAARN COCC[N@@H+]1C[C@@H]2CN(Cc3cccnc3C)C[C@]2(C(=O)[O-])C1 ZINC000096149046 395746311 /nfs/dbraw/zinc/74/63/11/395746311.db2.gz JMBLIVXSRAAAKZ-NVXWUHKLSA-N 0 0 319.405 0.855 50 0 DCAARN NC(=O)[C@H]1CCCN(C(=O)CN2CCc3ccc(F)cc32)C1 ZINC000096414839 395752898 /nfs/dbraw/zinc/75/28/98/395752898.db2.gz XTJANRKUIAPYOT-LBPRGKRZSA-N 0 0 305.353 0.912 50 0 DCAARN NS(=O)(=O)N1CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000096489587 395754460 /nfs/dbraw/zinc/75/44/60/395754460.db2.gz CDCRULZUKRQRQS-UHFFFAOYSA-N 0 0 307.778 0.800 50 0 DCAARN CCN(CCO)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000097177158 395755281 /nfs/dbraw/zinc/75/52/81/395755281.db2.gz FTQINVKNRMRVNS-CYBMUJFWSA-N 0 0 322.340 0.087 50 0 DCAARN Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CC(=O)N(CC3CC3)C1)C2 ZINC000097198461 395755739 /nfs/dbraw/zinc/75/57/39/395755739.db2.gz AJSGJWIFTAPWFM-KGLIPLIRSA-N 0 0 316.405 0.881 50 0 DCAARN Cc1c(C(=O)NCCNC(=O)c2cccnc2)cnc2ccnn21 ZINC000097360199 395757067 /nfs/dbraw/zinc/75/70/67/395757067.db2.gz VVOKUJWZBIKJQV-UHFFFAOYSA-N 0 0 324.344 0.593 50 0 DCAARN Cc1ccc(CN(C)CC(=O)N2CC[C@@](C)(O)[C@@H](O)C2)cc1 ZINC000097463654 395757877 /nfs/dbraw/zinc/75/78/77/395757877.db2.gz FHNYDRSVHAQUIY-DOTOQJQBSA-N 0 0 306.406 0.771 50 0 DCAARN Cc1nnc([C@@H]2CN([C@H](C)C(=O)NC[C@@H]3CCCO3)CCO2)[nH]1 ZINC000107054900 395784843 /nfs/dbraw/zinc/78/48/43/395784843.db2.gz AWYMUUXWRJTBPJ-WXHSDQCUSA-N 0 0 323.397 0.170 50 0 DCAARN C[C@@H]1CCCC[C@H]1OCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000047005017 395785107 /nfs/dbraw/zinc/78/51/07/395785107.db2.gz NJAXQXMOVRPDRB-VXGBXAGGSA-N 0 0 309.366 0.248 50 0 DCAARN O=C(CN1CCSC1=O)N1CCN(c2cnccn2)CC1 ZINC000044895566 395759818 /nfs/dbraw/zinc/75/98/18/395759818.db2.gz LALISNUISPDILQ-UHFFFAOYSA-N 0 0 307.379 0.294 50 0 DCAARN O=C([O-])[C@@H]1CN(C(=O)c2ccco2)CC[N@@H+](C2CCOCC2)C1 ZINC000097742725 395760244 /nfs/dbraw/zinc/76/02/44/395760244.db2.gz VNHVKRCGSDHDLK-LBPRGKRZSA-N 0 0 322.361 0.917 50 0 DCAARN O=C(CN1CCSC1=O)NC1CCN(c2ncccn2)CC1 ZINC000044938989 395760437 /nfs/dbraw/zinc/76/04/37/395760437.db2.gz POUHYNLCQQMKIZ-UHFFFAOYSA-N 0 0 321.406 0.730 50 0 DCAARN C[C@@]1(O)CCN(C(=O)CCc2[nH]nc3c2CCCC3)C[C@@H]1O ZINC000097785510 395760870 /nfs/dbraw/zinc/76/08/70/395760870.db2.gz LCDXURGJMVQLBH-GOEBONIOSA-N 0 0 307.394 0.565 50 0 DCAARN CCc1nc(CN(C)C(=O)CC[C@@H]2NC(=O)NC2=O)cs1 ZINC000097931184 395760967 /nfs/dbraw/zinc/76/09/67/395760967.db2.gz YSUMWZBOXTXCSJ-VIFPVBQESA-N 0 0 310.379 0.652 50 0 DCAARN Cc1nn(C)c(C)c1[C@H](C)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000097985455 395761270 /nfs/dbraw/zinc/76/12/70/395761270.db2.gz VHUFPZXLYHSJNF-XVKPBYJWSA-N 0 0 307.354 0.202 50 0 DCAARN Cn1cc(N2CC[C@H](NC(=O)CCc3cccnc3)C2=O)cn1 ZINC000098010378 395761346 /nfs/dbraw/zinc/76/13/46/395761346.db2.gz IHSCDOWCKNFJEQ-AWEZNQCLSA-N 0 0 313.361 0.669 50 0 DCAARN C[C@@H](C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)n1cccn1 ZINC000098010376 395761504 /nfs/dbraw/zinc/76/15/04/395761504.db2.gz NBYHPNZIIRFCFB-JQWIXIFHSA-N 0 0 302.338 0.099 50 0 DCAARN O=C(NC[C@H]1Cc2ccccc2O1)N[C@H]1CCCCNC1=O ZINC000045666631 395764727 /nfs/dbraw/zinc/76/47/27/395764727.db2.gz UFRCIQDWHGADMB-OLZOCXBDSA-N 0 0 303.362 0.958 50 0 DCAARN COC(=O)c1oc(CN2CCN(CC(=O)N(C)C)CC2)cc1C ZINC000046503092 395778002 /nfs/dbraw/zinc/77/80/02/395778002.db2.gz IDTFEPPPEBEEBQ-UHFFFAOYSA-N 0 0 323.393 0.580 50 0 DCAARN CC1CCN(CCNC(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000048754814 395823196 /nfs/dbraw/zinc/82/31/96/395823196.db2.gz HETPNKIENBJJFD-ZDUSSCGKSA-N 0 0 317.455 0.452 50 0 DCAARN CN(C)C(=O)CCNC(=O)c1ccccc1N1CCOCC1 ZINC000195378844 395826269 /nfs/dbraw/zinc/82/62/69/395826269.db2.gz WYPQNMFYIIFXJR-UHFFFAOYSA-N 0 0 305.378 0.731 50 0 DCAARN Cc1ccc(=O)n(CCNC(=O)c2ccc3nsnc3c2)n1 ZINC000049422389 395831985 /nfs/dbraw/zinc/83/19/85/395831985.db2.gz NYHXDBFRKZOTIQ-UHFFFAOYSA-N 0 0 315.358 0.986 50 0 DCAARN COCCCNC(=O)C(=O)Nc1cccc(-n2cnnc2)c1 ZINC000049544434 395832432 /nfs/dbraw/zinc/83/24/32/395832432.db2.gz YRJXICOUIBMAAF-UHFFFAOYSA-N 0 0 303.322 0.359 50 0 DCAARN COc1c(C)cnc(CNC(=O)CCNS(C)(=O)=O)c1C ZINC000050771974 395840791 /nfs/dbraw/zinc/84/07/91/395840791.db2.gz BNULJNDDAOIHRV-UHFFFAOYSA-N 0 0 315.395 0.263 50 0 DCAARN Cc1nnc(N2CCN(C[C@@H](O)C(F)(F)F)CC2)nc1C ZINC000225454123 395860533 /nfs/dbraw/zinc/86/05/33/395860533.db2.gz KCEHMYWTGXKQGP-SNVBAGLBSA-N 0 0 305.304 0.534 50 0 DCAARN COc1nn(C)cc1C(=O)N1CCC[C@H](Oc2cccnn2)C1 ZINC000225454455 395860547 /nfs/dbraw/zinc/86/05/47/395860547.db2.gz PWRJEZGQNOJSOS-NSHDSACASA-N 0 0 317.349 0.902 50 0 DCAARN Cc1ccc(O[C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)nn1 ZINC000225465278 395860552 /nfs/dbraw/zinc/86/05/52/395860552.db2.gz UMEMUEZKOPDATC-STQMWFEESA-N 0 0 318.377 0.633 50 0 DCAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)CN1CC(=O)NC1=O ZINC000218883558 395843406 /nfs/dbraw/zinc/84/34/06/395843406.db2.gz PTWVSYRNQFJBSJ-JTQLQIEISA-N 0 0 306.322 0.507 50 0 DCAARN O=C(Cc1ccccc1Cl)N1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000225482072 395860644 /nfs/dbraw/zinc/86/06/44/395860644.db2.gz PDFQHUZGQOJUEF-QWHCGFSZSA-N 0 0 308.765 0.998 50 0 DCAARN Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)Cn2nccn2)cn1 ZINC000219449391 395845604 /nfs/dbraw/zinc/84/56/04/395845604.db2.gz YIZHDMUXVQTNON-KGLIPLIRSA-N 0 0 317.349 0.334 50 0 DCAARN Cn1ccnc1CN1CCN(C(=O)C(=O)c2cccnc2)CC1 ZINC000219650702 395846100 /nfs/dbraw/zinc/84/61/00/395846100.db2.gz PLVSXRGSCCJNPR-UHFFFAOYSA-N 0 0 313.361 0.342 50 0 DCAARN Cn1nc(C(=O)N2CCC[C@@H](Oc3cccnn3)C2)ccc1=O ZINC000225451899 395860862 /nfs/dbraw/zinc/86/08/62/395860862.db2.gz BEDGLDKCZKJVNQ-LLVKDONJSA-N 0 0 315.333 0.254 50 0 DCAARN CC(C)c1cccc(O[C@@H](C)C(=O)NC(C(N)=O)C(N)=O)c1 ZINC000051348742 395849978 /nfs/dbraw/zinc/84/99/78/395849978.db2.gz ZAIORBMKMPIPPF-VIFPVBQESA-N 0 0 307.350 0.033 50 0 DCAARN CCc1nnc(SCC(=O)NCc2cnc3cnccn23)[nH]1 ZINC000221397941 395851062 /nfs/dbraw/zinc/85/10/62/395851062.db2.gz WYIZRBXILIISPX-UHFFFAOYSA-N 0 0 317.378 0.818 50 0 DCAARN O=S(=O)(N[C@@H]1CCOC[C@H]1O)c1ccc(F)cc1Cl ZINC000222246088 395851839 /nfs/dbraw/zinc/85/18/39/395851839.db2.gz VIHGYWCUWSMZDD-NXEZZACHSA-N 0 0 309.746 0.907 50 0 DCAARN Cc1ccccc1OCC(=O)N[C@@H]1CCOC[C@H]1OCCO ZINC000222960131 395853586 /nfs/dbraw/zinc/85/35/86/395853586.db2.gz XYXQSDDYWCSEPY-UKRRQHHQSA-N 0 0 309.362 0.656 50 0 DCAARN CSCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(N)=O)cc1 ZINC000223278672 395853994 /nfs/dbraw/zinc/85/39/94/395853994.db2.gz FOFKPJSGQHDESL-CHWSQXEVSA-N 0 0 324.402 0.801 50 0 DCAARN COCCc1nc(CNC(=O)CSc2n[nH]c(C)n2)no1 ZINC000223590737 395855931 /nfs/dbraw/zinc/85/59/31/395855931.db2.gz JZNPHAIRLWJXRI-UHFFFAOYSA-N 0 0 312.355 0.094 50 0 DCAARN CO[C@@H]1CCOC[C@H]1NC(=O)c1cccc(-n2cnnc2)n1 ZINC000223671918 395855982 /nfs/dbraw/zinc/85/59/82/395855982.db2.gz MQBOUDUWBWHTPZ-VXGBXAGGSA-N 0 0 303.322 0.196 50 0 DCAARN CCN1C[C@H](NC(=O)c2scc3c2OCCO3)[C@@H](OC)C1 ZINC000223850655 395856293 /nfs/dbraw/zinc/85/62/93/395856293.db2.gz MEAWJRMURMJOHP-UWVGGRQHSA-N 0 0 312.391 0.968 50 0 DCAARN O=C(CN1CCO[C@@H]2CCCC[C@H]21)N[C@@H]1CCCCNC1=O ZINC000051996817 395857577 /nfs/dbraw/zinc/85/75/77/395857577.db2.gz VUOSXWINTURMRF-MGPQQGTHSA-N 0 0 309.410 0.415 50 0 DCAARN C[C@H](CNC(=O)c1cc2ccccc2c(=O)[nH]1)N1CCOCC1 ZINC000047639066 395798274 /nfs/dbraw/zinc/79/82/74/395798274.db2.gz DSGCGIHPILYXHT-GFCCVEGCSA-N 0 0 315.373 0.979 50 0 DCAARN O=C(Cn1ccccc1=O)NCCNC(=O)c1ccc(O)cc1 ZINC000053741711 395888379 /nfs/dbraw/zinc/88/83/79/395888379.db2.gz SGCWDZIUSZTBAZ-UHFFFAOYSA-N 0 0 315.329 0.100 50 0 DCAARN COC1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000053885617 395890353 /nfs/dbraw/zinc/89/03/53/395890353.db2.gz HAEXNWPQINBIKD-OAHLLOKOSA-N 0 0 309.366 0.344 50 0 DCAARN CCc1nnsc1C(=O)N1CCC(N2CCNC2=O)CC1 ZINC000054318163 395897345 /nfs/dbraw/zinc/89/73/45/395897345.db2.gz BESPRJLZNHULPS-UHFFFAOYSA-N 0 0 309.395 0.730 50 0 DCAARN CN1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000054455489 395900150 /nfs/dbraw/zinc/90/01/50/395900150.db2.gz OBAKYFPPUCCPDU-CQSZACIVSA-N 0 0 300.366 0.231 50 0 DCAARN Cc1nc(CCNC(=O)CCC(=O)NC2CCCC2)cc(=O)[nH]1 ZINC000055090856 395910508 /nfs/dbraw/zinc/91/05/08/395910508.db2.gz ULMMURFRRCBOLD-UHFFFAOYSA-N 0 0 320.393 0.576 50 0 DCAARN CC(=O)N1CCC[C@@H](C(=O)N[C@H](C(N)=O)c2ccccc2)C1 ZINC000055209604 395913856 /nfs/dbraw/zinc/91/38/56/395913856.db2.gz ARGLMOCWHTUFEO-KGLIPLIRSA-N 0 0 303.362 0.588 50 0 DCAARN COc1ccc(-n2ccc(C(=O)N3CC[C@H](C(N)=O)C3)n2)cc1 ZINC000055285805 395916245 /nfs/dbraw/zinc/91/62/45/395916245.db2.gz MZEVEDVQDXCFOB-NSHDSACASA-N 0 0 314.345 0.828 50 0 DCAARN O=C(CCC(=O)NC1CCCC1)NCCSc1c[nH]nn1 ZINC000055325984 395917708 /nfs/dbraw/zinc/91/77/08/395917708.db2.gz ALJUOFFVQDDKDL-UHFFFAOYSA-N 0 0 311.411 0.852 50 0 DCAARN O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC(N2CCNC2=O)CC1 ZINC000055786941 395921470 /nfs/dbraw/zinc/92/14/70/395921470.db2.gz JKFVWVGBOKDMIU-UHFFFAOYSA-N 0 0 324.768 0.658 50 0 DCAARN Cc1ccc(O[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C2)nc1 ZINC000238882962 395923118 /nfs/dbraw/zinc/92/31/18/395923118.db2.gz POUMFLZBYLTFIJ-LBPRGKRZSA-N 0 0 317.345 0.519 50 0 DCAARN CCOC(=O)CCC(=O)NCCn1ccc(-c2cnccn2)n1 ZINC000238957116 395923163 /nfs/dbraw/zinc/92/31/63/395923163.db2.gz YBRZJEUCRGYOBV-UHFFFAOYSA-N 0 0 317.349 0.800 50 0 DCAARN CN1CC[NH+](CCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000244811478 395925495 /nfs/dbraw/zinc/92/54/95/395925495.db2.gz SDLMEPRJBHRDMP-OAHLLOKOSA-N 0 0 319.405 0.956 50 0 DCAARN O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)C1=NNC(=O)CC1 ZINC000244874668 395926257 /nfs/dbraw/zinc/92/62/57/395926257.db2.gz XFJXUKCYHJNTOT-UMVBOHGHSA-N 0 0 315.373 0.751 50 0 DCAARN NC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)CCc1cccs1 ZINC000225520538 395861866 /nfs/dbraw/zinc/86/18/66/395861866.db2.gz REGNNKSJYGKFIP-WDEREUQCSA-N 0 0 302.421 0.864 50 0 DCAARN O=C(COc1ccc(F)cc1)N1CC[C@H](N2C(=O)COC2=O)C1 ZINC000225699481 395862360 /nfs/dbraw/zinc/86/23/60/395862360.db2.gz DVKDYJAGYFNDBX-NSHDSACASA-N 0 0 322.292 0.784 50 0 DCAARN Cc1cc(-c2noc(CNC(=O)c3ccc(=O)n(C)n3)n2)no1 ZINC000225811687 395863793 /nfs/dbraw/zinc/86/37/93/395863793.db2.gz QSBXJWIGKQTIAV-UHFFFAOYSA-N 0 0 316.277 0.057 50 0 DCAARN Cc1cccc(C(=O)N2CCCN([C@@H]3COC[C@H]3O)CC2)c1 ZINC000225846556 395864426 /nfs/dbraw/zinc/86/44/26/395864426.db2.gz UMOIZPUYKHPPSY-HZPDHXFCSA-N 0 0 304.390 0.903 50 0 DCAARN Cc1ncc(CN(C)[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)s1 ZINC000229268467 395873724 /nfs/dbraw/zinc/87/37/24/395873724.db2.gz OZSKXULPROJVOQ-CMPLNLGQSA-N 0 0 324.450 0.996 50 0 DCAARN CC(=O)N[C@@H]1CCCN(C(=O)C[S@](=O)[C@@H](C)C(C)C)C1 ZINC000229953720 395876256 /nfs/dbraw/zinc/87/62/56/395876256.db2.gz RSJLQBQELXUNNA-SCLGINMFSA-N 0 0 302.440 0.907 50 0 DCAARN CCOc1cc(N2CCN(Cc3nccn3C)CC2)ncn1 ZINC000136043106 395943910 /nfs/dbraw/zinc/94/39/10/395943910.db2.gz VRLOHMNXAHTGIT-UHFFFAOYSA-N 0 0 302.382 0.931 50 0 DCAARN CCN(CC(=O)NC)C(=O)[C@@H]1CCCN(c2ccccn2)C1 ZINC000058341828 395953332 /nfs/dbraw/zinc/95/33/32/395953332.db2.gz GEQHHVOVKKTZMG-CYBMUJFWSA-N 0 0 304.394 0.893 50 0 DCAARN CCC[C@@H](NC(N)=O)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000143622529 395961359 /nfs/dbraw/zinc/96/13/59/395961359.db2.gz PEOFSNLGFUSERZ-CYBMUJFWSA-N 0 0 308.382 0.761 50 0 DCAARN CCOc1ccc(CN2CCN(S(=O)(=O)CC)CC2)cn1 ZINC000065267273 395991429 /nfs/dbraw/zinc/99/14/29/395991429.db2.gz LGDADNBNBGUXDF-UHFFFAOYSA-N 0 0 313.423 0.948 50 0 DCAARN Cc1cc(=O)n(CC(=O)Nc2ccc(N(C)C)cc2)c(N)n1 ZINC000065310816 395992247 /nfs/dbraw/zinc/99/22/47/395992247.db2.gz PIENLLWSCRVGJJ-UHFFFAOYSA-N 0 0 301.350 0.839 50 0 DCAARN COCCNC(=O)N(C)[C@H]1CCN(c2nccnc2OC)C1 ZINC000065269039 395992346 /nfs/dbraw/zinc/99/23/46/395992346.db2.gz ABPKNRDSFXUTQP-NSHDSACASA-N 0 0 309.370 0.352 50 0 DCAARN COCc1noc(CNc2ncc(F)c(N3CCOCC3)n2)n1 ZINC000065458468 395994588 /nfs/dbraw/zinc/99/45/88/395994588.db2.gz LCNRYSRLKMABHN-UHFFFAOYSA-N 0 0 324.316 0.594 50 0 DCAARN CC(=O)N1CCC(C(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)CC1 ZINC000252511079 396022565 /nfs/dbraw/zinc/02/25/65/396022565.db2.gz ZTIODKNBKIEAJC-ILXRZTDVSA-N 0 0 310.394 0.698 50 0 DCAARN O=C(c1ccoc1)N1CCN(C2CCS(=O)(=O)CC2)CC1 ZINC000252523045 396022585 /nfs/dbraw/zinc/02/25/85/396022585.db2.gz BSEVLVCWJOGTCN-UHFFFAOYSA-N 0 0 312.391 0.615 50 0 DCAARN CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(C)C[C@H]1C ZINC000252512269 396022736 /nfs/dbraw/zinc/02/27/36/396022736.db2.gz OPGKQUVANHPCDW-TZMCWYRMSA-N 0 0 304.394 0.819 50 0 DCAARN COc1ccc([C@@H](NC(=O)c2c[nH]c(=O)[nH]2)[C@H]2C[C@@H](O)C2)cn1 ZINC000252540174 396023228 /nfs/dbraw/zinc/02/32/28/396023228.db2.gz OUYUOXMAFWLDDH-GBIKHYSHSA-N 0 0 318.333 0.349 50 0 DCAARN Cc1nc(CC(=O)N[C@H]2C[C@H](c3nnc(CO)n3C)C2)cs1 ZINC000252569115 396023462 /nfs/dbraw/zinc/02/34/62/396023462.db2.gz WBKYJRCOJINUTO-MGCOHNPYSA-N 0 0 321.406 0.677 50 0 DCAARN COCC(=O)N[C@@H]1CN(Cc2cccc(F)c2F)C[C@H]1CO ZINC000253412509 396027287 /nfs/dbraw/zinc/02/72/87/396027287.db2.gz RFHXPUPKWYPHKF-WCQYABFASA-N 0 0 314.332 0.520 50 0 DCAARN Cc1cc(C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2CO)ccn1 ZINC000253408294 396027321 /nfs/dbraw/zinc/02/73/21/396027321.db2.gz KPHSSDJLJINTCX-UONOGXRCSA-N 0 0 313.361 0.407 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)cc2C)C[C@H]1CO ZINC000253414103 396027727 /nfs/dbraw/zinc/02/77/27/396027727.db2.gz WMIVRLZMEJBBKS-SMDDNHRTSA-N 0 0 306.362 0.430 50 0 DCAARN Cn1nccc1S(=O)(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O ZINC000253428959 396028542 /nfs/dbraw/zinc/02/85/42/396028542.db2.gz PZNUQNQXKKGQCG-NSHDSACASA-N 0 0 324.337 0.253 50 0 DCAARN CCN1CCC[C@H]1[C@H]1CCCN1C(=O)CS(=O)(=O)CC ZINC000253490440 396029654 /nfs/dbraw/zinc/02/96/54/396029654.db2.gz IRUZDODHHQGWPC-QWHCGFSZSA-N 0 0 302.440 0.896 50 0 DCAARN Cn1nc(-c2cnccn2)cc1CNC(=O)c1cccn(C)c1=O ZINC000253472100 396029848 /nfs/dbraw/zinc/02/98/48/396029848.db2.gz JAJCJOPDKCOPRK-UHFFFAOYSA-N 0 0 324.344 0.506 50 0 DCAARN Cc1cc(N2CCC[C@H](Cn3cc(C(=O)[O-])nn3)C2)nc(N)[nH+]1 ZINC000067642639 396030009 /nfs/dbraw/zinc/03/00/09/396030009.db2.gz GOZILLXNBKJXCA-JTQLQIEISA-N 0 0 317.353 0.574 50 0 DCAARN Cc1nnc([C@H]2CCCN2CCn2c(=O)cc(C)[nH]c2=O)[nH]1 ZINC000253537411 396030168 /nfs/dbraw/zinc/03/01/68/396030168.db2.gz WQIXEODHLZUITH-LLVKDONJSA-N 0 0 304.354 0.521 50 0 DCAARN C[C@H]1CN(C(=O)CN2CCCC[C@H]2Cn2cncn2)CCO1 ZINC000253601259 396031272 /nfs/dbraw/zinc/03/12/72/396031272.db2.gz NOGBPFZHDFPSPO-KBPBESRZSA-N 0 0 307.398 0.380 50 0 DCAARN Cc1cccc(=O)n1CCCNC(=O)C1=C(C)NC(=O)N[C@@H]1C ZINC000067713179 396031816 /nfs/dbraw/zinc/03/18/16/396031816.db2.gz QKQONQBSGCNWRV-LLVKDONJSA-N 0 0 318.377 0.638 50 0 DCAARN CCOC(=O)C=c1[nH]c(=O)c(=Cc2ccc(OC)cc2)s1 ZINC000254898215 396032080 /nfs/dbraw/zinc/03/20/80/396032080.db2.gz PYJSLRUUOZMBQZ-UHFFFAOYSA-N 0 0 305.355 0.617 50 0 DCAARN CC(C)[C@H]1C(=O)NCCN1C(=O)c1ccccc1-c1nn[nH]n1 ZINC000067840540 396035316 /nfs/dbraw/zinc/03/53/16/396035316.db2.gz CGWQSODILUKZQN-LBPRGKRZSA-N 0 0 314.349 0.463 50 0 DCAARN OCCn1ncc2c1CN(c1cc(N3CCOCC3)ncn1)C2 ZINC000067855428 396035918 /nfs/dbraw/zinc/03/59/18/396035918.db2.gz NXROZDDRAJGKSU-UHFFFAOYSA-N 0 0 316.365 0.022 50 0 DCAARN CC(=O)NCCNC(=O)c1cc(COc2ccccc2)n[nH]1 ZINC000067893973 396037617 /nfs/dbraw/zinc/03/76/17/396037617.db2.gz QIWODWVVXTXERM-UHFFFAOYSA-N 0 0 302.334 0.855 50 0 DCAARN CNC(=O)CNC(=O)c1cc(COc2cccc(OC)c2)n[nH]1 ZINC000067895254 396037731 /nfs/dbraw/zinc/03/77/31/396037731.db2.gz MZWZKFWTRSORTE-UHFFFAOYSA-N 0 0 318.333 0.473 50 0 DCAARN O=C(OCc1cccc2c1OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000067900462 396038115 /nfs/dbraw/zinc/03/81/15/396038115.db2.gz MFZHILQLYSDZGP-NSHDSACASA-N 0 0 312.343 0.936 50 0 DCAARN NC(=O)CN1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000067946979 396039498 /nfs/dbraw/zinc/03/94/98/396039498.db2.gz FTGMAYXXYRRBNU-UHFFFAOYSA-N 0 0 301.302 0.914 50 0 DCAARN COCC(=O)N1CCOC[C@@H]1c1ncn(Cc2ccccc2)n1 ZINC000252491998 396020827 /nfs/dbraw/zinc/02/08/27/396020827.db2.gz MAVFTNSLCFGADX-CQSZACIVSA-N 0 0 316.361 0.873 50 0 DCAARN COCC(=O)N1CCOC[C@H]1c1ncn(Cc2ccccc2)n1 ZINC000252491997 396020951 /nfs/dbraw/zinc/02/09/51/396020951.db2.gz MAVFTNSLCFGADX-AWEZNQCLSA-N 0 0 316.361 0.873 50 0 DCAARN CSCC[C@@H](CO)NC(=O)c1ccccc1-n1nnnc1C ZINC000252504807 396021637 /nfs/dbraw/zinc/02/16/37/396021637.db2.gz VLYDUHUBHGOODJ-NSHDSACASA-N 0 0 321.406 0.815 50 0 DCAARN COCCNC(=O)Nc1cccc(OCCS(C)(=O)=O)c1 ZINC000069665759 396085965 /nfs/dbraw/zinc/08/59/65/396085965.db2.gz JHIHLRNDZMNKMJ-UHFFFAOYSA-N 0 0 316.379 0.878 50 0 DCAARN CCn1cc(CN2CCCN(C(=O)Cn3cccn3)CC2)cn1 ZINC000069652053 396086243 /nfs/dbraw/zinc/08/62/43/396086243.db2.gz MJAXTWINSKAKCY-UHFFFAOYSA-N 0 0 316.409 0.834 50 0 DCAARN CC/C=C(/C)C(=O)N1CCN(CCN2C(=O)CCC2=O)CC1 ZINC000069699347 396087107 /nfs/dbraw/zinc/08/71/07/396087107.db2.gz WOFJZHCEETVVGF-PQMHYQBVSA-N 0 0 307.394 0.636 50 0 DCAARN O=C1OCC[C@H]1N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000069771877 396089414 /nfs/dbraw/zinc/08/94/14/396089414.db2.gz DEBLDWGTTVAVKL-GOEBONIOSA-N 0 0 320.389 0.359 50 0 DCAARN O=C(NCCN1C(=O)CCC1=O)c1ccc(-n2cccn2)cc1 ZINC000069779666 396090437 /nfs/dbraw/zinc/09/04/37/396090437.db2.gz RRNKWKTXIPRPJD-UHFFFAOYSA-N 0 0 312.329 0.751 50 0 DCAARN O[C@@H](CN1CCO[C@H](Cn2cncn2)C1)c1ccc(F)c(F)c1 ZINC000069814098 396091098 /nfs/dbraw/zinc/09/10/98/396091098.db2.gz HIGJVYURWLLGRM-WFASDCNBSA-N 0 0 324.331 0.991 50 0 DCAARN CCOCCN1CCN([C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000069844783 396091740 /nfs/dbraw/zinc/09/17/40/396091740.db2.gz VFPCFBHBPLHMQV-NSHDSACASA-N 0 0 311.348 0.708 50 0 DCAARN Cc1n[nH]c(C)c1CNC(=O)[C@H]1CCN(c2cn[nH]c(=O)c2)C1 ZINC000169785441 396092644 /nfs/dbraw/zinc/09/26/44/396092644.db2.gz CZGUTKUOILTCHC-NSHDSACASA-N 0 0 316.365 0.253 50 0 DCAARN Cc1nc2n(n1)C[C@@H](NCc1nnnn1-c1ccccc1)CC2 ZINC000069874418 396093255 /nfs/dbraw/zinc/09/32/55/396093255.db2.gz FPYFRKXICPEAKP-LBPRGKRZSA-N 0 0 310.365 0.667 50 0 DCAARN CN(C)S(=O)(=O)CCCN1CCc2c(ncn2C2CC2)C1 ZINC000069874627 396093985 /nfs/dbraw/zinc/09/39/85/396093985.db2.gz HCAIHSUWUDSZKQ-UHFFFAOYSA-N 0 0 312.439 0.858 50 0 DCAARN CC(=O)N1CCN(C(=O)[C@@]23CCCC[C@H]2N(C)C(=O)CC3)CC1 ZINC000169793194 396094085 /nfs/dbraw/zinc/09/40/85/396094085.db2.gz VQDNVUOXMOHYHF-RHSMWYFYSA-N 0 0 321.421 0.858 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCO[C@H](Cn3cncn3)C2)no1 ZINC000069901839 396094389 /nfs/dbraw/zinc/09/43/89/396094389.db2.gz TXOIFWFVIJVBIU-RYUDHWBXSA-N 0 0 320.353 0.303 50 0 DCAARN COc1cc(C)nc(N2CCN(C(=O)c3cc[nH]n3)CC2)n1 ZINC000069920329 396094469 /nfs/dbraw/zinc/09/44/69/396094469.db2.gz XEHQTUMZLBGJQH-UHFFFAOYSA-N 0 0 302.338 0.479 50 0 DCAARN COCCCS(=O)(=O)N1CCN(Cc2ccc[nH]2)CC1 ZINC000170607098 396095026 /nfs/dbraw/zinc/09/50/26/396095026.db2.gz VGOXOSCLTVXHBY-UHFFFAOYSA-N 0 0 301.412 0.499 50 0 DCAARN C[C@H]1CS(=O)(=O)CCN1C(=O)CSCc1ccccn1 ZINC000170635407 396095844 /nfs/dbraw/zinc/09/58/44/396095844.db2.gz ARVRJIYHCAOSLN-NSHDSACASA-N 0 0 314.432 0.960 50 0 DCAARN COC(=O)c1ccc(S(=O)(=O)N(C)Cc2nccn2C)o1 ZINC000069951481 396096497 /nfs/dbraw/zinc/09/64/97/396096497.db2.gz ZAHSXGGPICEHCB-UHFFFAOYSA-N 0 0 313.335 0.620 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)c2cccnc2N(C)C)CC1 ZINC000070004057 396097510 /nfs/dbraw/zinc/09/75/10/396097510.db2.gz FDBLIPRSUBNPAI-CYBMUJFWSA-N 0 0 306.410 0.676 50 0 DCAARN CC1CCN(C(=O)Cn2c(=O)onc2-c2cnccn2)CC1 ZINC000071184896 396111025 /nfs/dbraw/zinc/11/10/25/396111025.db2.gz PKKRMHWJBGFQPA-UHFFFAOYSA-N 0 0 303.322 0.552 50 0 DCAARN CC(=O)Nc1ccccc1NC(=O)CN1CCC[C@H](C(N)=O)C1 ZINC000071315034 396112613 /nfs/dbraw/zinc/11/26/13/396112613.db2.gz GAFWMOOMJJGTLQ-LBPRGKRZSA-N 0 0 318.377 0.781 50 0 DCAARN O=C([O-])[C@@H]1CN(C(=O)c2ccccc2N2CCOCC2)CC[NH2+]1 ZINC000071388730 396113818 /nfs/dbraw/zinc/11/38/18/396113818.db2.gz TZDHZSJKJYJUDK-ZDUSSCGKSA-N 0 0 319.361 0.022 50 0 DCAARN O=C(C1=NN(c2ccccc2)C(=O)CN1)N1CCSCC1 ZINC000071820996 396116379 /nfs/dbraw/zinc/11/63/79/396116379.db2.gz FEAMJFPVVGUQJO-UHFFFAOYSA-N 0 0 304.375 0.512 50 0 DCAARN CCO[C@@H]1CCCN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC000071825599 396116701 /nfs/dbraw/zinc/11/67/01/396116701.db2.gz DMYQEFVOMBFKGG-LLVKDONJSA-N 0 0 309.366 0.332 50 0 DCAARN C[C@@H]1CN(C[C@H](O)Cn2cnc3ccsc3c2=O)C[C@H](C)O1 ZINC000071825059 396116846 /nfs/dbraw/zinc/11/68/46/396116846.db2.gz RTQCWLXAUMMDSV-TUAOUCFPSA-N 0 0 323.418 0.928 50 0 DCAARN O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCCn2ncnc21 ZINC000071826665 396117258 /nfs/dbraw/zinc/11/72/58/396117258.db2.gz GSWAIVGQYHYKQC-GFCCVEGCSA-N 0 0 313.365 0.721 50 0 DCAARN CC(C)n1ncc2cc(C(=O)N3CCNC(=O)CC3)cnc21 ZINC000071839574 396118054 /nfs/dbraw/zinc/11/80/54/396118054.db2.gz HIVAAJSHFKTWJG-UHFFFAOYSA-N 0 0 301.350 0.974 50 0 DCAARN CC(C)(C)[C@H](O)CN1CCN(C(=O)c2nccnc2N)CC1 ZINC000071871861 396120188 /nfs/dbraw/zinc/12/01/88/396120188.db2.gz ZCIOTLVGZKSZFE-LLVKDONJSA-N 0 0 307.398 0.224 50 0 DCAARN CCc1nnc2n1CCN(C[C@@H](O)COCc1ccco1)C2 ZINC000071876967 396121490 /nfs/dbraw/zinc/12/14/90/396121490.db2.gz LYOLFVORGKQDEA-GFCCVEGCSA-N 0 0 306.366 0.827 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)c2cccnc2OC)CC1 ZINC000071881961 396122922 /nfs/dbraw/zinc/12/29/22/396122922.db2.gz UHXTXGOGJTWSJX-CYBMUJFWSA-N 0 0 323.393 0.245 50 0 DCAARN O=C1[C@H](Nc2ccc3nnnn3n2)CCN1c1ccccc1F ZINC000071900453 396124249 /nfs/dbraw/zinc/12/42/49/396124249.db2.gz DXCAZFWVNMHYKB-SNVBAGLBSA-N 0 0 313.296 0.876 50 0 DCAARN CCCN(CC(=O)N1CCN(C(C)=O)CC1)CC(F)(F)F ZINC000071902310 396124491 /nfs/dbraw/zinc/12/44/91/396124491.db2.gz FGVRPFXICNACTR-UHFFFAOYSA-N 0 0 309.332 0.951 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)c2cn3cccnc3n2)CC1 ZINC000072268901 396127786 /nfs/dbraw/zinc/12/77/86/396127786.db2.gz AEGTWHBBNKWJPP-GFCCVEGCSA-N 0 0 303.366 0.258 50 0 DCAARN CNC(=O)C1(C(=O)N2CCC(Nc3cccnn3)CC2)CCC1 ZINC000072268084 396128028 /nfs/dbraw/zinc/12/80/28/396128028.db2.gz HYHHXQRXWSRGGJ-UHFFFAOYSA-N 0 0 317.393 0.796 50 0 DCAARN C[C@@H](NC(=O)CN1CCc2nn(C)c(=O)cc2C1)c1ccco1 ZINC000072302371 396130631 /nfs/dbraw/zinc/13/06/31/396130631.db2.gz MFAQLNGKQZCONP-LLVKDONJSA-N 0 0 316.361 0.609 50 0 DCAARN CCOc1ccc(C[C@H](CNS(=O)(=O)CC)C(N)=O)cc1 ZINC000069371677 396076700 /nfs/dbraw/zinc/07/67/00/396076700.db2.gz HXGBCFGPNQVRQJ-GFCCVEGCSA-N 0 0 314.407 0.669 50 0 DCAARN CS(=O)(=O)c1ccc2c(c1)N(CC(=O)NC(N)=O)CCC2 ZINC000069434161 396078190 /nfs/dbraw/zinc/07/81/90/396078190.db2.gz QKEXSKLVPLSBEZ-UHFFFAOYSA-N 0 0 311.363 0.038 50 0 DCAARN CCc1noc([C@@H](C)N2CCN(CCn3cncn3)CC2)n1 ZINC000069443395 396078552 /nfs/dbraw/zinc/07/85/52/396078552.db2.gz XVXGDJYHXDMLRG-GFCCVEGCSA-N 0 0 305.386 0.602 50 0 DCAARN CNC(=O)[C@@H]1CCCN1CC(=O)NC(=O)NCc1ccccc1 ZINC000069454348 396078965 /nfs/dbraw/zinc/07/89/65/396078965.db2.gz KTMORYAQZPTEHW-ZDUSSCGKSA-N 0 0 318.377 0.223 50 0 DCAARN CCc1noc([C@H](C)N2CCN(CCn3cncn3)CC2)n1 ZINC000069443400 396079000 /nfs/dbraw/zinc/07/90/00/396079000.db2.gz XVXGDJYHXDMLRG-LBPRGKRZSA-N 0 0 305.386 0.602 50 0 DCAARN Cc1noc(C)c1Cn1cc(S(=O)(=O)N(C)C)ccc1=O ZINC000069461588 396079576 /nfs/dbraw/zinc/07/95/76/396079576.db2.gz MZPNZUTVJXKMCO-UHFFFAOYSA-N 0 0 311.363 0.752 50 0 DCAARN CS[C@H](C)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 ZINC000069484371 396080281 /nfs/dbraw/zinc/08/02/81/396080281.db2.gz CMRYRTYSCAUQAS-MRVPVSSYSA-N 0 0 315.420 0.943 50 0 DCAARN CCc1nnc2n1CCN(Cc1cc(=O)n3ccccc3n1)C2 ZINC000069493105 396080357 /nfs/dbraw/zinc/08/03/57/396080357.db2.gz BZQKBWZUKYZOOL-UHFFFAOYSA-N 0 0 310.361 0.864 50 0 DCAARN Cc1ncc2c(n1)CN(C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000069492721 396080555 /nfs/dbraw/zinc/08/05/55/396080555.db2.gz MMOWEBQMCXWBDY-ZENOOKHLSA-N 0 0 320.437 0.613 50 0 DCAARN Cc1cccc(-c2noc(Cn3nc(C(N)=O)ccc3=O)n2)c1 ZINC000069510251 396081263 /nfs/dbraw/zinc/08/12/63/396081263.db2.gz KMXCAEVPWRBHMS-UHFFFAOYSA-N 0 0 311.301 0.749 50 0 DCAARN NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1OC(F)F ZINC000069565044 396083004 /nfs/dbraw/zinc/08/30/04/396083004.db2.gz ZKYAUWZAMJIJIW-MRVPVSSYSA-N 0 0 320.317 0.926 50 0 DCAARN COC(=O)[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)C(C)C ZINC000074088855 396156882 /nfs/dbraw/zinc/15/68/82/396156882.db2.gz PVCGJOZIMFTVQL-AWEZNQCLSA-N 0 0 317.345 0.710 50 0 DCAARN CC(C)(C)c1ncsc1C(=O)NCCN1C(=O)CNC1=O ZINC000176833328 396161746 /nfs/dbraw/zinc/16/17/46/396161746.db2.gz GLZNMZXAXMTYQI-UHFFFAOYSA-N 0 0 310.379 0.722 50 0 DCAARN CCCC(=O)N1CCCC[C@@H]1C(=O)N(C)C[C@H](O)COC ZINC000075092809 396176086 /nfs/dbraw/zinc/17/60/86/396176086.db2.gz HUUIXYFWJLQHSS-QWHCGFSZSA-N 0 0 300.399 0.633 50 0 DCAARN Cc1ccc(C(=O)NCCc2nnc3n2CCCCC3)c(=O)[nH]1 ZINC000075119244 396176441 /nfs/dbraw/zinc/17/64/41/396176441.db2.gz MRRTVXUALYCHDU-UHFFFAOYSA-N 0 0 315.377 0.974 50 0 DCAARN Cc1nc(C)n([C@H]2CCCN(C(=O)Cn3ccccc3=O)C2)n1 ZINC000075602672 396181875 /nfs/dbraw/zinc/18/18/75/396181875.db2.gz BZWBAHACTVJLMB-AWEZNQCLSA-N 0 0 315.377 0.920 50 0 DCAARN Cc1cc(NC(=O)CN2CCC(N3CCN(C)C3=O)CC2)on1 ZINC000075604091 396182517 /nfs/dbraw/zinc/18/25/17/396182517.db2.gz JBSAFDHBNXSPND-UHFFFAOYSA-N 0 0 321.381 0.753 50 0 DCAARN O=C(NCCCN1C(=O)CNC1=O)c1ccc2cc[nH]c2c1 ZINC000075607191 396183462 /nfs/dbraw/zinc/18/34/62/396183462.db2.gz LHWPNDBCMRFCSF-UHFFFAOYSA-N 0 0 300.318 0.840 50 0 DCAARN NS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000076020022 396192241 /nfs/dbraw/zinc/19/22/41/396192241.db2.gz UQVNCEPQTHCPNG-HTQZYQBOSA-N 0 0 320.773 0.987 50 0 DCAARN Cc1nnc(CNC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)[nH]1 ZINC000076065963 396195840 /nfs/dbraw/zinc/19/58/40/396195840.db2.gz ALTDVGFDBKKWDV-SECBINFHSA-N 0 0 312.337 0.644 50 0 DCAARN O=C(CNC(=O)c1ccccc1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000078025457 396237864 /nfs/dbraw/zinc/23/78/64/396237864.db2.gz YHQGHYXFGZLGRP-CYBMUJFWSA-N 0 0 316.279 0.942 50 0 DCAARN CC(C)c1nnc([C@H]2CN(C(=O)Cn3cncn3)CCO2)[nH]1 ZINC000078888916 396256024 /nfs/dbraw/zinc/25/60/24/396256024.db2.gz TXJQYTVXMLDLTI-SNVBAGLBSA-N 0 0 305.342 0.120 50 0 DCAARN Cc1cnn(CCCNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000078923112 396257688 /nfs/dbraw/zinc/25/76/88/396257688.db2.gz ZKJLCRUOMRIYSJ-LBPRGKRZSA-N 0 0 305.382 0.644 50 0 DCAARN CN(CC(N)=O)C[C@@H]1CN(c2nc3ccccc3n2C)CCO1 ZINC000282232361 396274163 /nfs/dbraw/zinc/27/41/63/396274163.db2.gz LFBYSFSDFOKPJR-GFCCVEGCSA-N 0 0 317.393 0.196 50 0 DCAARN CC(C)N1C[C@H](C(=O)NCc2cnn3cccnc23)CC1=O ZINC000077287777 396217186 /nfs/dbraw/zinc/21/71/86/396217186.db2.gz OHGVDURCKLZLQH-LLVKDONJSA-N 0 0 301.350 0.602 50 0 DCAARN CN(C)Cc1nnc(C2CCN(S(C)(=O)=O)CC2)n1C ZINC000077300642 396218750 /nfs/dbraw/zinc/21/87/50/396218750.db2.gz XLHZKQWWJZXYQV-UHFFFAOYSA-N 0 0 301.416 0.016 50 0 DCAARN CC(C)n1cc(C(=O)N2CCN(CCn3cncn3)CC2)cn1 ZINC000077344220 396219370 /nfs/dbraw/zinc/21/93/70/396219370.db2.gz MMCOUKOHFIVISR-UHFFFAOYSA-N 0 0 317.397 0.514 50 0 DCAARN CC(=O)NC[C@H]1CN(c2nnc(-c3ccccn3)s2)CCO1 ZINC000185719374 396333947 /nfs/dbraw/zinc/33/39/47/396333947.db2.gz SYUIEKYRAVDPDS-NSHDSACASA-N 0 0 319.390 0.941 50 0 DCAARN CCN(C(=O)c1ccc(OC)c(OCCO)c1)[C@@H]1CCNC1=O ZINC000285940892 396364199 /nfs/dbraw/zinc/36/41/99/396364199.db2.gz MCMNJHWPVGXTTD-GFCCVEGCSA-N 0 0 322.361 0.417 50 0 DCAARN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)NCCS(C)(=O)=O ZINC000187701677 396372959 /nfs/dbraw/zinc/37/29/59/396372959.db2.gz IYYKJWWBRCIILJ-NEPJUHHUSA-N 0 0 306.428 0.924 50 0 DCAARN COC(=O)[C@@H]1N[C@@H](c2ccccc2C)[C@H]2C(=O)N(C)C(=O)[C@@H]12 ZINC000526056022 396531745 /nfs/dbraw/zinc/53/17/45/396531745.db2.gz CGOWJTYBIFYYIV-QNWHQSFQSA-N 0 0 302.330 0.412 50 0 DCAARN CN1CC(=O)N(CC(=O)N2CC[C@H](Oc3ccccc3)C2)C1=O ZINC000374220868 396648988 /nfs/dbraw/zinc/64/89/88/396648988.db2.gz SPUIXPAWSNRYAB-ZDUSSCGKSA-N 0 0 317.345 0.560 50 0 DCAARN CN(CCN1CCOCC1)C(=O)[C@H]1CC(=O)OC12CCCC2 ZINC000584887363 396632032 /nfs/dbraw/zinc/63/20/32/396632032.db2.gz WIYXIPXCBUKUOO-CYBMUJFWSA-N 0 0 310.394 0.653 50 0 DCAARN Cn1c(CO)nnc1C1CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC000584889806 396633243 /nfs/dbraw/zinc/63/32/43/396633243.db2.gz AZTGGJTXGNOTNM-UHFFFAOYSA-N 0 0 318.381 0.369 50 0 DCAARN CCNC(=O)N1CCC(NC(=O)CN2CCCCC2=O)CC1 ZINC000584889469 396633399 /nfs/dbraw/zinc/63/33/99/396633399.db2.gz LJAMLVRGQXOHHR-UHFFFAOYSA-N 0 0 310.398 0.309 50 0 DCAARN CCN(CCn1cccn1)C(=O)NCCC(=O)N1CCCC1 ZINC000584891306 396633960 /nfs/dbraw/zinc/63/39/60/396633960.db2.gz AOKVYDPAXCUHLG-UHFFFAOYSA-N 0 0 307.398 0.927 50 0 DCAARN CC(C)O[C@H]1CN(C(=O)CCN2CCCCCC2=O)C[C@@H]1O ZINC000584895700 396634642 /nfs/dbraw/zinc/63/46/42/396634642.db2.gz VMPZAVZZSXXPDP-KBPBESRZSA-N 0 0 312.410 0.776 50 0 DCAARN CCN1C[C@H](NC(=O)COCC(F)(F)C(F)F)CC1=O ZINC000584898193 396635329 /nfs/dbraw/zinc/63/53/29/396635329.db2.gz QOQNTXGRFUDBTC-SSDOTTSWSA-N 0 0 300.252 0.640 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H](Cn2cnc3ccncc3c2=O)C1 ZINC000584898093 396635663 /nfs/dbraw/zinc/63/56/63/396635663.db2.gz PNBSYGWSMUUWSY-NSHDSACASA-N 0 0 322.390 0.463 50 0 DCAARN CN1C[C@@H](Cn2cnc3cccc(Cl)c3c2=O)OCC1=O ZINC000584898748 396635815 /nfs/dbraw/zinc/63/58/15/396635815.db2.gz XMXHJPAJFLCLQP-VIFPVBQESA-N 0 0 307.737 0.907 50 0 DCAARN Cc1nonc1CNC(=O)c1cc(C(C)C)n2ncnc2n1 ZINC000584900918 396636230 /nfs/dbraw/zinc/63/62/30/396636230.db2.gz BWXXBQNRJXOSFT-UHFFFAOYSA-N 0 0 301.310 0.869 50 0 DCAARN Cc1nnnn1CCC(=O)NCc1ccc(-c2ncon2)cc1 ZINC000584902876 396637140 /nfs/dbraw/zinc/63/71/40/396637140.db2.gz BTOHLRLPOWVJQM-UHFFFAOYSA-N 0 0 313.321 0.738 50 0 DCAARN CCOCC(=O)N1CCC(C(=O)N2CCC[C@@H](O)CC2)CC1 ZINC000584902272 396637293 /nfs/dbraw/zinc/63/72/93/396637293.db2.gz NVCCJACBJWRSQH-CQSZACIVSA-N 0 0 312.410 0.635 50 0 DCAARN CCOC(=O)c1nccc(N[C@H](CO)[C@H](O)C2CCCCC2)n1 ZINC000585132796 396640873 /nfs/dbraw/zinc/64/08/73/396640873.db2.gz WIAAGJHHQMXYPE-TZMCWYRMSA-N 0 0 323.393 0.789 50 0 DCAARN O=C(CN1CCN(c2nsnc2Cl)CC1)N1CCCC1 ZINC000585139572 396641328 /nfs/dbraw/zinc/64/13/28/396641328.db2.gz JRRLIGFITJEQCK-UHFFFAOYSA-N 0 0 315.830 0.936 50 0 DCAARN CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)Nc1nc(CC(N)=O)cs1 ZINC000585149766 396642230 /nfs/dbraw/zinc/64/22/30/396642230.db2.gz NGVQBMVHOHDBPF-SCZZXKLOSA-N 0 0 324.406 0.518 50 0 DCAARN CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN([C@H]2C[C@H](C)OC2=O)C1 ZINC000299754210 396714050 /nfs/dbraw/zinc/71/40/50/396714050.db2.gz SMHVSYLVBRZBOH-BIMULSAOSA-N 0 0 322.365 0.505 50 0 DCAARN CN(CCN1CCNC1=O)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000377306688 397064366 /nfs/dbraw/zinc/06/43/66/397064366.db2.gz DBHISOSBGHSBBV-GFCCVEGCSA-N 0 0 309.391 0.472 50 0 DCAARN CN(C)c1ncc(NC(=O)N[C@H]2CCN(C3CCC3)C2=O)cn1 ZINC000626456613 397166267 /nfs/dbraw/zinc/16/62/67/397166267.db2.gz JHZYEBFNSJQKPS-LBPRGKRZSA-N 0 0 318.381 0.818 50 0 DCAARN Cn1cccc(C(=O)NCc2cn(-c3ccncc3)nn2)c1=O ZINC000390830345 397302946 /nfs/dbraw/zinc/30/29/46/397302946.db2.gz KKPWJVPISFFADW-UHFFFAOYSA-N 0 0 310.317 0.291 50 0 DCAARN COc1c[nH]c(C(=O)Nc2nc(CC(N)=O)cs2)cc1=O ZINC000604418977 397639730 /nfs/dbraw/zinc/63/97/30/397639730.db2.gz AYLXKBNFYIPGMO-UHFFFAOYSA-N 0 0 308.319 0.120 50 0 DCAARN CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000000490418 285891902 /nfs/dbraw/zinc/89/19/02/285891902.db2.gz XEPQPPSBVXFJOA-SUNOKAMTSA-N 0 0 307.346 0.511 50 0 biogenic DCAARN COc1cc(OC)nc(N2CCC[C@]3(CN(C)C(=O)O3)C2)n1 ZINC000072433351 286242708 /nfs/dbraw/zinc/24/27/08/286242708.db2.gz FTOHUXAIXGIKFC-AWEZNQCLSA-N 0 0 308.338 0.915 50 0 DCAARN CCc1nnc(C2CCN(C(=O)c3cnnn3CC)CC2)[nH]1 ZINC000329023639 159052429 /nfs/dbraw/zinc/05/24/29/159052429.db2.gz UMWJGZUHDCDRQD-UHFFFAOYSA-N 0 0 303.370 0.998 50 0 DCAARN O=C(C1CC1)[C@H]1CN(S(=O)(=O)c2cncc(F)c2)CCO1 ZINC000329301812 159080811 /nfs/dbraw/zinc/08/08/11/159080811.db2.gz WAGTWXVZUGGWQS-GFCCVEGCSA-N 0 0 314.338 0.589 50 0 DCAARN O=C(C1CC1)[C@@H]1CN(S(=O)(=O)c2cncc(F)c2)CCO1 ZINC000329301813 159080819 /nfs/dbraw/zinc/08/08/19/159080819.db2.gz WAGTWXVZUGGWQS-LBPRGKRZSA-N 0 0 314.338 0.589 50 0 DCAARN O=C([C@@H]1COc2ccccc2O1)N1CCO[C@@H](c2ncon2)C1 ZINC000329970575 159132647 /nfs/dbraw/zinc/13/26/47/159132647.db2.gz VBIMLICGRLOKDK-OLZOCXBDSA-N 0 0 317.301 0.810 50 0 DCAARN CC[C@@H]1CN(S(=O)(=O)C[C@H]2CCOC2)C[C@@]2(CCOC2)O1 ZINC000330093398 159141275 /nfs/dbraw/zinc/14/12/75/159141275.db2.gz ZTDUZHAJCMWUKX-BFHYXJOUSA-N 0 0 319.423 0.623 50 0 DCAARN CC[C@@H]1CN(S(=O)(=O)[C@@H]2CCOC2)C[C@@H]1N1CCOCC1 ZINC000330291780 159157353 /nfs/dbraw/zinc/15/73/53/159157353.db2.gz CYJMOMVIIGHYFL-MCIONIFRSA-N 0 0 318.439 0.148 50 0 DCAARN Cc1cc(C(=O)Cn2ccnn2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000331437525 159209147 /nfs/dbraw/zinc/20/91/47/159209147.db2.gz VEHHGVWBJQYQCR-GFCCVEGCSA-N 0 0 322.390 0.939 50 0 DCAARN O=C(N[C@H]1CCc2[nH]cnc2C1)[C@@H]1COCCN1CC(F)F ZINC000332853345 159215361 /nfs/dbraw/zinc/21/53/61/159215361.db2.gz VPAWGERQCVVEMY-CABZTGNLSA-N 0 0 314.336 0.349 50 0 DCAARN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1csnc1C ZINC000408169224 160052021 /nfs/dbraw/zinc/05/20/21/160052021.db2.gz OPTLZEUYZPHWDA-VIFPVBQESA-N 0 0 303.409 0.605 50 0 DCAARN O=C([C@H]1CCS(=O)(=O)C1)N1CCCC2(CCOCC2)C1 ZINC000377817776 304448442 /nfs/dbraw/zinc/44/84/42/304448442.db2.gz BPKJVUSSIJFMLI-LBPRGKRZSA-N 0 0 301.408 0.840 50 0 DCAARN C[C@@H](OC(=O)CCn1c2ccccc2oc1=O)C(=O)NC(N)=O ZINC000017600303 287116529 /nfs/dbraw/zinc/11/65/29/287116529.db2.gz DCMALYLVMQQPJK-MRVPVSSYSA-N 0 0 321.289 0.111 50 0 DCAARN C[C@H](CN1CCOCC1)N(C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000331252054 287145468 /nfs/dbraw/zinc/14/54/68/287145468.db2.gz UECVPYFEGSFANQ-CYBMUJFWSA-N 0 0 308.426 0.869 50 0 DCAARN C[C@@H]1C(=O)NCCN1c1nc(N(C)C)cc(C(F)(F)F)n1 ZINC000096453860 287187252 /nfs/dbraw/zinc/18/72/52/287187252.db2.gz WOZPCIGOLCWWKR-SSDOTTSWSA-N 0 0 303.288 0.886 50 0 DCAARN COc1ccccc1[C@@H](C)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000025110789 415157530 /nfs/dbraw/zinc/15/75/30/415157530.db2.gz STOMZVZRLFOQQS-LLVKDONJSA-N 0 0 317.345 0.765 50 0 DCAARN COc1cccc(NC(=O)CN(C)[C@H]2CC(=O)N(C)C2=O)c1 ZINC000025052345 415158603 /nfs/dbraw/zinc/15/86/03/415158603.db2.gz ZYRDOLSCBWYZKT-LBPRGKRZSA-N 0 0 305.334 0.323 50 0 DCAARN CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CCCO2)cc1 ZINC000025407122 415160731 /nfs/dbraw/zinc/16/07/31/415160731.db2.gz QGXJXFPQESJSNW-ZDUSSCGKSA-N 0 0 312.391 0.531 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC000025227474 415162280 /nfs/dbraw/zinc/16/22/80/415162280.db2.gz MIKMYWHQQMQIIH-UHFFFAOYSA-N 0 0 311.332 0.905 50 0 DCAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cnn(C)c1)C2=O ZINC000025305474 415162639 /nfs/dbraw/zinc/16/26/39/415162639.db2.gz YEYQIEORMVALHO-ZUZCIYMTSA-N 0 0 319.365 0.859 50 0 DCAARN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCC2)cc1 ZINC000000470768 415125843 /nfs/dbraw/zinc/12/58/43/415125843.db2.gz KCWYWBSYLZGXBH-UHFFFAOYSA-N 0 0 312.391 0.938 50 0 DCAARN COCCn1c(=O)c2c(nc3n2cc(C)n3C(C)C)n(C)c1=O ZINC000004940414 415129010 /nfs/dbraw/zinc/12/90/10/415129010.db2.gz VYLMGDUYBWYNMM-UHFFFAOYSA-N 0 0 319.365 0.685 50 0 DCAARN NS(=O)(=O)c1cc(C(=O)O[C@H]2CCOC2=O)ccc1Cl ZINC000007161393 415137236 /nfs/dbraw/zinc/13/72/36/415137236.db2.gz ZUEZJJIFGDNXJK-QMMMGPOBSA-N 0 0 319.722 0.460 50 0 DCAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(N)=O ZINC000009596421 415143040 /nfs/dbraw/zinc/14/30/40/415143040.db2.gz RCSICBOFAUVIMR-SSDOTTSWSA-N 0 0 320.754 0.035 50 0 DCAARN CC(C)Cn1c(=O)c2c(nc3n2[C@@H](C)C(C)N=N3)n(C)c1=O ZINC000010333130 415148650 /nfs/dbraw/zinc/14/86/50/415148650.db2.gz RZDKFBJNGCZZCP-VIFPVBQESA-N 0 0 304.354 0.915 50 0 DCAARN Cc1cc(=O)oc(C)c1C(=O)OCC(=O)NC[C@@H]1CCCO1 ZINC000026008757 415166443 /nfs/dbraw/zinc/16/64/43/415166443.db2.gz LIFVZXQTBNEFIV-NSHDSACASA-N 0 0 309.318 0.709 50 0 DCAARN CCOC(=O)[C@@H]1CCCN([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000027343699 415167146 /nfs/dbraw/zinc/16/71/46/415167146.db2.gz OVLZEPUSHKAOKO-WDEREUQCSA-N 0 0 322.413 0.856 50 0 DCAARN O=C(CN1CCOCC1)Nc1ccc(C2=NNC(=O)CC2)cc1 ZINC000027888355 415173136 /nfs/dbraw/zinc/17/31/36/415173136.db2.gz AHTGRHVPTIWMOM-UHFFFAOYSA-N 0 0 316.361 0.571 50 0 DCAARN COc1cc(C(=O)N[C@H](C)[C@H]2CCCO2)ccc1OCC(N)=O ZINC000027872990 415173965 /nfs/dbraw/zinc/17/39/65/415173965.db2.gz ILYPSAZMLPLLKQ-ZYHUDNBSSA-N 0 0 322.361 0.857 50 0 DCAARN CCCn1c2ccccc2n(C[C@@H](O)CN2CCOCC2)c1=O ZINC000044345891 415219596 /nfs/dbraw/zinc/21/95/96/415219596.db2.gz YTYLUEBXCWAVRG-AWEZNQCLSA-N 0 0 319.405 0.906 50 0 DCAARN C[C@@H]1COCCN1C(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000044915472 415232960 /nfs/dbraw/zinc/23/29/60/415232960.db2.gz BJVNZLURHLJFKL-LLVKDONJSA-N 0 0 303.318 0.751 50 0 DCAARN CCc1ccc(CNC(=O)Cn2ccc(=O)n(C)c2=O)s1 ZINC000044939058 415236444 /nfs/dbraw/zinc/23/64/44/415236444.db2.gz PBHFGOFDEVSOGY-UHFFFAOYSA-N 0 0 307.375 0.487 50 0 DCAARN O=C(NC[C@@]1(N2CCOCC2)CCSC1)Nc1cn[nH]c1 ZINC000044971499 415237766 /nfs/dbraw/zinc/23/77/66/415237766.db2.gz HJFSRRVTAVFUOH-ZDUSSCGKSA-N 0 0 311.411 0.739 50 0 DCAARN COc1ccc(Cl)cc1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000044953734 415238111 /nfs/dbraw/zinc/23/81/11/415238111.db2.gz RCUWLWNGSURRNR-UHFFFAOYSA-N 0 0 323.736 0.515 50 0 DCAARN C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cn2[n-]c(=O)ccc2=O)C1 ZINC000044952627 415239563 /nfs/dbraw/zinc/23/95/63/415239563.db2.gz VFDBBCALHWJBOJ-CHWSQXEVSA-N 0 0 322.409 0.433 50 0 DCAARN C[C@@H]1CN(CCNC(=O)NCCCn2cccn2)C[C@H](C)O1 ZINC000044953774 415239982 /nfs/dbraw/zinc/23/99/82/415239982.db2.gz QXFFAOMCXKEKEF-OKILXGFUSA-N 0 0 309.414 0.682 50 0 DCAARN Cc1cc(C)n(-c2ccc(NC(=O)CCNC(N)=O)cn2)n1 ZINC000044954235 415240395 /nfs/dbraw/zinc/24/03/95/415240395.db2.gz KJEYNVVHSQQERB-UHFFFAOYSA-N 0 0 302.338 0.881 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)COC)cc1 ZINC000044973260 415240817 /nfs/dbraw/zinc/24/08/17/415240817.db2.gz ASEGASANWRZZAI-SNVBAGLBSA-N 0 0 300.380 0.702 50 0 DCAARN Cc1nc(CNC(=O)NC2CCN(CC(N)=O)CC2)cs1 ZINC000045326025 415247032 /nfs/dbraw/zinc/24/70/32/415247032.db2.gz XKVQMAIKTKDRIB-UHFFFAOYSA-N 0 0 311.411 0.200 50 0 DCAARN C[C@H](NC(=O)NC[C@@H](O)COc1ccccc1)c1nncn1C ZINC000046963170 415261732 /nfs/dbraw/zinc/26/17/32/415261732.db2.gz VAZFPDPJCRIFGM-NWDGAFQWSA-N 0 0 319.365 0.615 50 0 DCAARN CN(C(=O)CCNC(=O)CCn1cncn1)c1ccccc1 ZINC000046910594 415262557 /nfs/dbraw/zinc/26/25/57/415262557.db2.gz FTGQZVIFVQMWEX-UHFFFAOYSA-N 0 0 301.350 0.838 50 0 DCAARN NC(=O)CN1CCC(NC(=O)c2scnc2Cl)CC1 ZINC000047304190 415269491 /nfs/dbraw/zinc/26/94/91/415269491.db2.gz ZAQPFWZDCCZIBQ-UHFFFAOYSA-N 0 0 302.787 0.476 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)Nc2nnc(-c3ccccn3)s2)C1 ZINC000047791332 415280422 /nfs/dbraw/zinc/28/04/22/415280422.db2.gz ATVYWDPLWBAOAC-QMMMGPOBSA-N 0 0 318.362 0.939 50 0 DCAARN COc1ccccc1OCC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000044457171 415223138 /nfs/dbraw/zinc/22/31/38/415223138.db2.gz UAWGIYXQZHZORW-NSHDSACASA-N 0 0 313.375 0.625 50 0 DCAARN Cc1cc([C@@H]2CCCN2C(=O)CC[C@H]2NC(=O)NC2=O)no1 ZINC000044710406 415226835 /nfs/dbraw/zinc/22/68/35/415226835.db2.gz WJVUKYXUBQDVOY-KOLCDFICSA-N 0 0 306.322 0.635 50 0 DCAARN NC(=O)C1CCN(C(=O)C2CCC(Cn3cnnn3)CC2)CC1 ZINC000044891294 415229403 /nfs/dbraw/zinc/22/94/03/415229403.db2.gz KQYZENWVEATZMR-UHFFFAOYSA-N 0 0 320.397 0.203 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)NCCCOc1ccccc1 ZINC000044889126 415229745 /nfs/dbraw/zinc/22/97/45/415229745.db2.gz QNKCKYIGDKXYBQ-UHFFFAOYSA-N 0 0 303.318 0.122 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)N[C@H](C)Cc2ccco2)CC1 ZINC000048300432 415286313 /nfs/dbraw/zinc/28/63/13/415286313.db2.gz ZZPPROYHBWKVRW-GFCCVEGCSA-N 0 0 322.409 0.720 50 0 DCAARN C[C@@H](NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)C(N)=O ZINC000048235269 415286392 /nfs/dbraw/zinc/28/63/92/415286392.db2.gz FWWNKJHHOXWTPQ-TZMCWYRMSA-N 0 0 320.393 0.060 50 0 DCAARN COc1ccc(C(=O)NC2CCN(CC(N)=O)CC2)c(OC)c1 ZINC000048253318 415286872 /nfs/dbraw/zinc/28/68/72/415286872.db2.gz MLLSIOJPRJZZRE-UHFFFAOYSA-N 0 0 321.377 0.383 50 0 DCAARN C[C@H]1CN(CC(=O)N2CCc3sccc3C2)S(=O)(=O)C1 ZINC000332186937 415287088 /nfs/dbraw/zinc/28/70/88/415287088.db2.gz AALMXLBSXBYAES-JTQLQIEISA-N 0 0 314.432 0.914 50 0 DCAARN O=C(NCc1cc[nH]n1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000048273700 415287958 /nfs/dbraw/zinc/28/79/58/415287958.db2.gz JVEHDRWGCXSRNA-LBPRGKRZSA-N 0 0 301.354 0.668 50 0 DCAARN CNC(=O)[C@@H](CC(C)C)NC(=O)c1cnc2sccn2c1=O ZINC000048326733 415291310 /nfs/dbraw/zinc/29/13/10/415291310.db2.gz MSTWVCJDBCGDKS-SNVBAGLBSA-N 0 0 322.390 0.647 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCc2ccoc2)C1 ZINC000048308697 415293200 /nfs/dbraw/zinc/29/32/00/415293200.db2.gz OEVOPWORFBSCPF-LLVKDONJSA-N 0 0 301.368 0.503 50 0 DCAARN CCCCn1c2nc(-c3csnn3)n(C)c2c(=O)[nH]c1=O ZINC000048876142 415302101 /nfs/dbraw/zinc/30/21/01/415302101.db2.gz RBUBVKARDLFUNY-UHFFFAOYSA-N 0 0 306.351 0.742 50 0 DCAARN C[C@@]1(C(=O)N2CCCN(CC(N)=O)CC2)CC1(Cl)Cl ZINC000049090347 415303288 /nfs/dbraw/zinc/30/32/88/415303288.db2.gz MCQQUICKVYHSRU-NSHDSACASA-N 0 0 308.209 0.590 50 0 DCAARN C[C@@H](C(N)=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000057910241 415339322 /nfs/dbraw/zinc/33/93/22/415339322.db2.gz KWOXQSWILDNSIA-NSHDSACASA-N 0 0 314.407 0.665 50 0 DCAARN C[C@@H](C(N)=O)S(=O)(=O)c1n[nH]c(CCC2CCCC2)n1 ZINC000069300234 415400252 /nfs/dbraw/zinc/40/02/52/415400252.db2.gz DPBPTCZFIGQXQW-QMMMGPOBSA-N 0 0 300.384 0.575 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)CC1 ZINC000069901742 415403510 /nfs/dbraw/zinc/40/35/10/415403510.db2.gz WXYOXQLAKIVAIE-ZNMIVQPWSA-N 0 0 306.410 0.439 50 0 DCAARN NC(=O)NC1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000075106482 415435246 /nfs/dbraw/zinc/43/52/46/415435246.db2.gz DQABIJIAFFNXBQ-UHFFFAOYSA-N 0 0 320.349 0.758 50 0 DCAARN CSCC[C@](C)(O)CNC(=O)C(=O)NCc1cccs1 ZINC000075157610 415438128 /nfs/dbraw/zinc/43/81/28/415438128.db2.gz OTDPNFHXHMNQIT-ZDUSSCGKSA-N 0 0 316.448 0.985 50 0 DCAARN CC[C@H]1CN(C(=O)CCn2cncn2)C[C@@H]1N1CCOCC1 ZINC000084735848 415501900 /nfs/dbraw/zinc/50/19/00/415501900.db2.gz PHRFGOHVRPEDBY-KBPBESRZSA-N 0 0 307.398 0.237 50 0 DCAARN CCc1nnc(-c2cc(S(=O)(=O)NCCCOC)c[nH]2)o1 ZINC000075349585 415443191 /nfs/dbraw/zinc/44/31/91/415443191.db2.gz XRWJGYKGUCKPLB-UHFFFAOYSA-N 0 0 314.367 0.942 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1 ZINC000075602943 415447187 /nfs/dbraw/zinc/44/71/87/415447187.db2.gz INXDAPBHHMZOTB-CYBMUJFWSA-N 0 0 315.377 0.406 50 0 DCAARN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)c1cn(C(C)C)cn1 ZINC000332704051 415447676 /nfs/dbraw/zinc/44/76/76/415447676.db2.gz XQCFOZNKIVOZGI-NWDGAFQWSA-N 0 0 317.411 0.888 50 0 DCAARN Cc1cn2c(nc(Cn3ncc(N(C)C)cc3=O)cc2=O)s1 ZINC000095362073 415554662 /nfs/dbraw/zinc/55/46/62/415554662.db2.gz DOUZTYKYUNMZQD-UHFFFAOYSA-N 0 0 317.374 0.735 50 0 DCAARN COC(=O)C[C@H]1Oc2ccccc2N(CCn2cnnc2)C1=O ZINC000095358619 415555117 /nfs/dbraw/zinc/55/51/17/415555117.db2.gz OTSFCXRCMPIUGR-CYBMUJFWSA-N 0 0 316.317 0.635 50 0 DCAARN COCC(=O)N1CCC[C@@H](C(=O)N2CCc3ncccc3C2)C1 ZINC000095364223 415555627 /nfs/dbraw/zinc/55/56/27/415555627.db2.gz POQGBQWDONGVBW-CQSZACIVSA-N 0 0 317.389 0.851 50 0 DCAARN O=C(CN1C(=O)CNC1=O)NC[C@H]1CCOc2ccccc2C1 ZINC000095386989 415556716 /nfs/dbraw/zinc/55/67/16/415556716.db2.gz SYHQRZWACINARW-NSHDSACASA-N 0 0 317.345 0.296 50 0 DCAARN Cc1nc(CN2CCN(CCCN3CCCC3=O)CC2)no1 ZINC000095959655 415570085 /nfs/dbraw/zinc/57/00/85/415570085.db2.gz CXOKDGYDTZYYOR-UHFFFAOYSA-N 0 0 307.398 0.508 50 0 DCAARN Cc1ccc(OC[C@@H](O)Cn2ncc3cnn(C)c(=O)c32)cc1 ZINC000095974800 415570147 /nfs/dbraw/zinc/57/01/47/415570147.db2.gz UQDFFOLGOYVVGM-ZDUSSCGKSA-N 0 0 314.345 0.878 50 0 DCAARN Cc1cc(S(=O)(=O)N2CC[C@@H](S(C)(=O)=O)C2)ccc1F ZINC000096025298 415573103 /nfs/dbraw/zinc/57/31/03/415573103.db2.gz FOUOGOIRHUEFPZ-LLVKDONJSA-N 0 0 321.395 0.942 50 0 DCAARN C[C@@H]1CCC[C@@H](NC(=O)NC(=O)CN2CCNC(=O)C2)[C@H]1C ZINC000103438314 415616569 /nfs/dbraw/zinc/61/65/69/415616569.db2.gz SZPATKVSTWQRCM-GRYCIOLGSA-N 0 0 310.398 0.069 50 0 DCAARN C[C@H]1CN(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CCO1 ZINC000104667122 415625783 /nfs/dbraw/zinc/62/57/83/415625783.db2.gz MUVPEDJFAWOOPU-GXTWGEPZSA-N 0 0 303.362 0.828 50 0 DCAARN CC(=O)N[C@@H](C)C(=O)Nc1nc(Cc2cccc(F)c2)n[nH]1 ZINC000097080811 415580061 /nfs/dbraw/zinc/58/00/61/415580061.db2.gz IAWIOONJDBKQEE-QMMMGPOBSA-N 0 0 305.313 0.420 50 0 DCAARN CCc1nnc(CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)[nH]1 ZINC000097096308 415580368 /nfs/dbraw/zinc/58/03/68/415580368.db2.gz LJUQBWRRCDVTLP-SECBINFHSA-N 0 0 321.406 0.966 50 0 DCAARN C[C@@H](C(=O)NC1=NCCS1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000101273436 415593546 /nfs/dbraw/zinc/59/35/46/415593546.db2.gz FGKNYHBWMACBRP-LPEHRKFASA-N 0 0 307.375 0.545 50 0 DCAARN C/C=C\Cn1c(SCC(=O)OC)nc2c1c(=O)[nH]c(=O)n2C ZINC000102757846 415600072 /nfs/dbraw/zinc/60/00/72/415600072.db2.gz FGXXEVONVAGPAZ-PLNGDYQASA-N 0 0 324.362 0.677 50 0 DCAARN CCN1CCCC[C@H]1C(=O)O[C@H](C)c1cn(CC(=O)OC)nn1 ZINC000108397296 415678266 /nfs/dbraw/zinc/67/82/66/415678266.db2.gz MWVVTGBHYBCCMR-YPMHNXCESA-N 0 0 324.381 0.930 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@H]2COC[C@@H]2OC)cc1F ZINC000289754254 415716106 /nfs/dbraw/zinc/71/61/06/415716106.db2.gz YVILPUIVESKOBA-JQWIXIFHSA-N 0 0 305.327 0.526 50 0 DCAARN O=C(NCCn1cccn1)N1CCN(c2ccccn2)CC1 ZINC000114970870 415725097 /nfs/dbraw/zinc/72/50/97/415725097.db2.gz QCWDSMYJFSYYGL-UHFFFAOYSA-N 0 0 300.366 0.810 50 0 DCAARN CNC(=O)c1ccc(CNC(=O)CCn2nnnc2C)cc1 ZINC000299771061 416066249 /nfs/dbraw/zinc/06/62/49/416066249.db2.gz YUSRPSNBHAECSS-UHFFFAOYSA-N 0 0 302.338 0.048 50 0 DCAARN CCN(C(=O)CCn1nc(C)c(C(C)=O)c1C)[C@H]1COC[C@@H]1O ZINC000299783651 416068193 /nfs/dbraw/zinc/06/81/93/416068193.db2.gz WFOVVNXAZZWPSR-KBPBESRZSA-N 0 0 323.393 0.701 50 0 DCAARN CN(Cc1cc(C2CC2)on1)C(=O)[C@@H]1CCC(=O)NC(=O)N1 ZINC000299787876 416069072 /nfs/dbraw/zinc/06/90/72/416069072.db2.gz YKJZAWQFXBLKKU-JTQLQIEISA-N 0 0 306.322 0.499 50 0 DCAARN COCc1nc(CN2CC[C@H]3[C@H](C2)OCc2cnnn23)no1 ZINC000299797976 416071971 /nfs/dbraw/zinc/07/19/71/416071971.db2.gz UCZJBUPTYAMFTB-QWRGUYRKSA-N 0 0 306.326 0.153 50 0 DCAARN Cc1cc(S(=O)(=O)NCc2nnn(C)n2)c(F)cc1F ZINC000331100834 416263722 /nfs/dbraw/zinc/26/37/22/416263722.db2.gz FQGQKTKFSQLMLW-UHFFFAOYSA-N 0 0 303.294 0.275 50 0 DCAARN C[C@@H]1CN(CCN2CCC(C)(C)S(=O)(=O)CC2)CCO1 ZINC000192850173 416311321 /nfs/dbraw/zinc/31/13/21/416311321.db2.gz GUFWLXNMIFJIGT-CYBMUJFWSA-N 0 0 304.456 0.606 50 0 DCAARN C[C@H]1CNCCN1S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000193359357 416315624 /nfs/dbraw/zinc/31/56/24/416315624.db2.gz JKFYHQWZZXMVFV-NSHDSACASA-N 0 0 314.411 0.217 50 0 DCAARN Cc1ccc(-c2nn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(=S)o2)cc1 ZINC000248059827 416333138 /nfs/dbraw/zinc/33/31/38/416333138.db2.gz CWTKYAHLAKELJQ-PRULPYPASA-N 0 0 324.358 0.793 50 0 DCAARN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 ZINC000252498245 416334597 /nfs/dbraw/zinc/33/45/97/416334597.db2.gz VGNGSQXYQJGLSF-MROQNXINSA-N 0 0 300.424 0.410 50 0 DCAARN COCCNC(=O)c1ccc2c(c1)CN(CCOC)C(=O)CO2 ZINC000263615143 416338312 /nfs/dbraw/zinc/33/83/12/416338312.db2.gz AUGALLSHBUQXMP-UHFFFAOYSA-N 0 0 322.361 0.430 50 0 DCAARN C[C@H](C(=O)N(CCCO)Cc1ccncc1)N1CCCC1=O ZINC000215659450 416327306 /nfs/dbraw/zinc/32/73/06/416327306.db2.gz BPWRSYCUAKPTLD-CYBMUJFWSA-N 0 0 305.378 0.804 50 0 DCAARN CSc1ncc(CN2CCCN(CC(=O)N(C)C)CC2)cn1 ZINC000216226808 416327429 /nfs/dbraw/zinc/32/74/29/416327429.db2.gz CCWBLEQQVONDAC-UHFFFAOYSA-N 0 0 323.466 0.794 50 0 DCAARN Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CC(=O)N(C)C1=O ZINC000225830269 416327750 /nfs/dbraw/zinc/32/77/50/416327750.db2.gz IATYHGXIQZOUKO-SECBINFHSA-N 0 0 316.766 0.684 50 0 DCAARN CC(C)OC(=O)CC[C@@H](C)NC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000225702195 416327774 /nfs/dbraw/zinc/32/77/74/416327774.db2.gz GWLGZUUMPWUWKB-NEPJUHHUSA-N 0 0 313.398 0.979 50 0 DCAARN O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000238076547 416329752 /nfs/dbraw/zinc/32/97/52/416329752.db2.gz QXPMJPPLAQZIFC-LSDHHAIUSA-N 0 0 318.373 0.963 50 0 DCAARN CC(C)(C)CN1CCC[C@H](Nc2cnn(CC(N)=O)c2)C1=O ZINC000241126053 416329945 /nfs/dbraw/zinc/32/99/45/416329945.db2.gz JJDRRJREOMUOHV-LBPRGKRZSA-N 0 0 307.398 0.817 50 0 DCAARN Cc1ccc(OC[C@H](O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000241590547 416330231 /nfs/dbraw/zinc/33/02/31/416330231.db2.gz PFVAYWOZNQFHPX-UONOGXRCSA-N 0 0 313.419 0.854 50 0 DCAARN C[C@@H](C(=O)NC1CCCCC1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000241719923 416330275 /nfs/dbraw/zinc/33/02/75/416330275.db2.gz QQUCQCWQLFPQTP-CMPLNLGQSA-N 0 0 308.382 0.060 50 0 DCAARN CCOC(=O)CC1(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000242164682 416330383 /nfs/dbraw/zinc/33/03/83/416330383.db2.gz WWYVNSXWYVUIEP-LBPRGKRZSA-N 0 0 316.423 0.582 50 0 DCAARN CCOC(=O)CC1(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000242164681 416330597 /nfs/dbraw/zinc/33/05/97/416330597.db2.gz WWYVNSXWYVUIEP-GFCCVEGCSA-N 0 0 316.423 0.582 50 0 DCAARN CCOc1ccc(C(=O)N[C@H]2C[C@H](c3nnc(CO)n3C)C2)o1 ZINC000244673627 416330674 /nfs/dbraw/zinc/33/06/74/416330674.db2.gz HSWMHYDHJUTIAI-MGCOHNPYSA-N 0 0 320.349 0.975 50 0 DCAARN NC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000245237837 416331020 /nfs/dbraw/zinc/33/10/20/416331020.db2.gz YYJYBDALELZVOA-MFKMUULPSA-N 0 0 319.336 0.655 50 0 DCAARN Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2csnc2N)C1 ZINC000244831549 416331159 /nfs/dbraw/zinc/33/11/59/416331159.db2.gz UFVRAHNNULNKEJ-KNVOCYPGSA-N 0 0 308.367 0.022 50 0 DCAARN CN(C)C(=O)CN1CCCN(C(=O)Cc2ccsc2)CC1 ZINC000361448580 416437350 /nfs/dbraw/zinc/43/73/50/416437350.db2.gz AZPHZVNFWFLAPZ-UHFFFAOYSA-N 0 0 309.435 0.913 50 0 DCAARN CC(=O)N1CCC[C@H](Nc2ccc(-c3nccn3C)nn2)C1 ZINC000584898359 416516832 /nfs/dbraw/zinc/51/68/32/416516832.db2.gz XFGQGCQLXKTLOX-LBPRGKRZSA-N 0 0 300.366 1.300 50 0 DCAARN CCc1ccccc1S(=O)(=O)N[C@](C)(CO)C(=O)OC ZINC000585114600 416517587 /nfs/dbraw/zinc/51/75/87/416517587.db2.gz LMMMQUBTCYXDLZ-CYBMUJFWSA-N 0 0 301.364 0.451 50 0 DCAARN CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC(C)C)nc1 ZINC000585115078 416518882 /nfs/dbraw/zinc/51/88/82/416518882.db2.gz LJHJFFFFVDJFPI-JTQLQIEISA-N 0 0 315.395 0.672 50 0 DCAARN CCCCS(=O)(=O)N1CC[C@@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000585137921 416519845 /nfs/dbraw/zinc/51/98/45/416519845.db2.gz APSDAGQOQIHDSV-SECBINFHSA-N 0 0 300.384 0.684 50 0 DCAARN CN(c1cc([C@@H]2CCOC2)nc(NCCO)n1)C1CCOCC1 ZINC000426387311 416762228 /nfs/dbraw/zinc/76/22/28/416762228.db2.gz RHQCRXALCHQCRI-GFCCVEGCSA-N 0 0 322.409 1.000 50 0 DCAARN CSCCCNc1cc([C@H]2CCOC2)nc(N2CC(O)C2)n1 ZINC000426552410 416775633 /nfs/dbraw/zinc/77/56/33/416775633.db2.gz XNDXWERZVINGDH-NSHDSACASA-N 0 0 324.450 1.326 50 0 DCAARN NC(=O)c1cn(C2CCN(C(=O)NCC3CC=CC3)CC2)nn1 ZINC000624542408 417059278 /nfs/dbraw/zinc/05/92/78/417059278.db2.gz ISMXWJDTDBVOOO-UHFFFAOYSA-N 0 0 318.381 0.690 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2noc(C)c2C)C1 ZINC000452161968 417458121 /nfs/dbraw/zinc/45/81/21/417458121.db2.gz KZEWJIGNQCPLMR-NSHDSACASA-N 0 0 315.395 1.292 50 0 DCAARN CN(C)c1nc(CNC(=O)c2cccs2)nc(N(C)C)n1 ZINC000575604275 417538526 /nfs/dbraw/zinc/53/85/26/417538526.db2.gz VSSFDNQMGDBBEA-UHFFFAOYSA-N 0 0 306.395 0.995 50 0 DCAARN COc1nc(CNC(=O)[C@@H](C)Oc2ccccc2)nc(OC)n1 ZINC000575604311 417540072 /nfs/dbraw/zinc/54/00/72/417540072.db2.gz WGSDLZKYFGLWQQ-SNVBAGLBSA-N 0 0 318.333 0.973 50 0 DCAARN COc1nc(CNC(=O)CCc2c(C)noc2C)nc(OC)n1 ZINC000575604315 417540157 /nfs/dbraw/zinc/54/01/57/417540157.db2.gz WJWHNRJTEMFLET-UHFFFAOYSA-N 0 0 321.337 0.743 50 0 DCAARN CN(C)c1nc(CNC(=O)[C@H]2CCOC2)nc(N2CCCC2)n1 ZINC000575607692 417540526 /nfs/dbraw/zinc/54/05/26/417540526.db2.gz VVEDFQOTZIHLAX-NSHDSACASA-N 0 0 320.397 0.191 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(F)ccc1OC(F)F ZINC000665047493 418171685 /nfs/dbraw/zinc/17/16/85/418171685.db2.gz CNBQHTLAHWBPMA-ZJUUUORDSA-N 0 0 304.268 0.848 50 0 DCAARN CN1CC[C@H](C(=O)Nc2nc(C(F)(F)F)c[nH]2)S1(=O)=O ZINC000649214233 418210434 /nfs/dbraw/zinc/21/04/34/418210434.db2.gz PZWMRBUFJRYUQI-RXMQYKEDSA-N 0 0 312.273 0.401 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCN(C(=O)COc2cccc(F)c2)C1 ZINC000299772233 229421159 /nfs/dbraw/zinc/42/11/59/229421159.db2.gz STDGTNRFUXLTSE-SNVBAGLBSA-N 0 0 316.354 0.342 50 0 DCAARN COCCN1C[C@@H](CNC(=O)CCc2ccc(O)cc2)CC1=O ZINC000299798030 229458067 /nfs/dbraw/zinc/45/80/67/229458067.db2.gz QGZVFRXZDDXKHI-CQSZACIVSA-N 0 0 320.389 0.936 50 0 DCAARN CC(=O)N1CCN(C(=O)Cn2ccc3ccccc32)C[C@H](O)C1 ZINC000097784929 262547171 /nfs/dbraw/zinc/54/71/71/262547171.db2.gz UMYORJPRIFDAFS-OAHLLOKOSA-N 0 0 315.373 0.693 50 0 DCAARN CCn1cc(S(=O)(=O)N[C@H]2Cc3ccccc3NC2=O)cn1 ZINC000528542783 272649721 /nfs/dbraw/zinc/64/97/21/272649721.db2.gz QZQABVROBXMBIV-ZDUSSCGKSA-N 0 0 320.374 0.745 50 0 DCAARN CC(C)(C)SCC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000186678846 273500459 /nfs/dbraw/zinc/50/04/59/273500459.db2.gz JEOOWOIFVNLUQO-GFCCVEGCSA-N 0 0 313.467 0.941 50 0 DCAARN CC[C@H](C)n1c2c(nc1N1CCN(C)CC1)n(C)c(=O)[nH]c2=O ZINC000000237785 273746175 /nfs/dbraw/zinc/74/61/75/273746175.db2.gz ISBCDRWCQCZASP-JTQLQIEISA-N 0 0 320.397 0.146 50 0 biogenic DCAARN COCCN1CCN(c2c3c(nc4ncnn42)CCC3)CC1 ZINC000022331423 274030253 /nfs/dbraw/zinc/03/02/53/274030253.db2.gz BTSKRFZXSHERMZ-UHFFFAOYSA-N 0 0 302.382 0.381 50 0 DCAARN CC(=O)Nn1ccc2c(cnc3nc(-c4ccncc4)nn32)c1=O ZINC000013693134 275498236 /nfs/dbraw/zinc/49/82/36/275498236.db2.gz WGJGXDLFYNOFGJ-UHFFFAOYSA-N 0 0 321.300 0.591 50 0 DCAARN CCn1nc(C)c2ncnc(N3CCN(S(C)(=O)=O)CC3)c21 ZINC000057280034 276722608 /nfs/dbraw/zinc/72/26/08/276722608.db2.gz KBJHUBHAWWNFQT-UHFFFAOYSA-N 0 0 324.410 0.236 50 0 DCAARN C=CC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000328599872 276878949 /nfs/dbraw/zinc/87/89/49/276878949.db2.gz UGSGVKNEFHKOTB-UHFFFAOYSA-N 0 0 313.379 0.700 50 0 DCAARN CC(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)[C@H](C)C1 ZINC000084715018 276992524 /nfs/dbraw/zinc/99/25/24/276992524.db2.gz UBAOTSKDXAKGPU-LLVKDONJSA-N 0 0 324.402 0.783 50 0 DCAARN CC(=O)c1ccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000006670142 277110492 /nfs/dbraw/zinc/11/04/92/277110492.db2.gz IZZYPRKFRXGQRS-RYUDHWBXSA-N 0 0 310.400 0.749 50 0 DCAARN COc1c(C)cc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1C ZINC000181542319 277361917 /nfs/dbraw/zinc/36/19/17/277361917.db2.gz IVBAWYBTQHWZNQ-UHFFFAOYSA-N 0 0 317.345 0.962 50 0 DCAARN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(C)CC(N)=O ZINC000095949386 278059877 /nfs/dbraw/zinc/05/98/77/278059877.db2.gz SOYKMJXCROHHPU-CQSZACIVSA-N 0 0 303.362 0.466 50 0 DCAARN COc1ncnc2c1N[C@H](C)c1c(=O)n(C)c(=O)n(C)c1S2 ZINC000012390396 278099720 /nfs/dbraw/zinc/09/97/20/278099720.db2.gz AOSRZRMYKBTFAK-ZCFIWIBFSA-N 0 0 321.362 0.520 50 0 DCAARN CC(=O)O[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H]1COC(C)(C)O1 ZINC000012364573 278221526 /nfs/dbraw/zinc/22/15/26/278221526.db2.gz QZKDRLZSJSWQPS-RNWYCLNJSA-N 0 0 302.323 0.946 50 0 DCAARN Cc1cc(N2CCNC(=O)CC2)n2nc(C(F)(F)F)nc2n1 ZINC000045725125 278712118 /nfs/dbraw/zinc/71/21/18/278712118.db2.gz BYBRXLFVORUENN-UHFFFAOYSA-N 0 0 314.271 0.778 50 0 DCAARN CC(C)[C@H]1CN(S(=O)(=O)N(C)C)CCC(=O)N1CC1CC1 ZINC000071754280 280432406 /nfs/dbraw/zinc/43/24/06/280432406.db2.gz COLMGQGHLJQQSU-CYBMUJFWSA-N 0 0 317.455 0.762 50 0 DCAARN COC[C@H](C)S(=O)(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000069699302 293059468 /nfs/dbraw/zinc/05/94/68/293059468.db2.gz BBQOAYKTLMUJTJ-STQMWFEESA-N 0 0 308.444 0.298 50 0 DCAARN CO[C@@H]1CC[C@H]2OCCN(C(=O)CS(=O)(=O)C(C)C)[C@H]2C1 ZINC000407993260 293794909 /nfs/dbraw/zinc/79/49/09/293794909.db2.gz MLPPHCCPSGOGHE-FRRDWIJNSA-N 0 0 319.423 0.605 50 0 DCAARN Cn1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)nn1 ZINC000096098404 294225794 /nfs/dbraw/zinc/22/57/94/294225794.db2.gz UGUZCBSVFSWGPS-UHFFFAOYSA-N 0 0 301.306 0.532 50 0 DCAARN C[C@H]1CN(C(=O)CN2CCOCC2=O)[C@@H](c2ccccc2)CO1 ZINC000240465910 300128756 /nfs/dbraw/zinc/12/87/56/300128756.db2.gz GBIJGQLZRPBAEB-DZGCQCFKSA-N 0 0 318.373 0.834 50 0 DCAARN Cc1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000154121118 301123122 /nfs/dbraw/zinc/12/31/22/301123122.db2.gz JXSMBUGCHPPXEF-IUCAKERBSA-N 0 0 317.349 0.155 50 0 DCAARN Cc1cc(C)n(C[C@H]2CN(CCCS(C)(=O)=O)CCO2)n1 ZINC000069351333 301240989 /nfs/dbraw/zinc/24/09/89/301240989.db2.gz NWVMGIPCLOSCOJ-CQSZACIVSA-N 0 0 315.439 0.635 50 0 DCAARN Cc1ccccc1[C@@H]1NC(=O)NC2=C1C(=O)N(C[C@@H](C)O)C2 ZINC000012346017 302168885 /nfs/dbraw/zinc/16/88/85/302168885.db2.gz YKGXZKRVJOOGKN-YGRLFVJLSA-N 0 0 301.346 0.826 50 0 DCAARN Cn1cc([C@H]2C[C@H]2C(=O)N2CCN(CC(C)(C)O)CC2)cn1 ZINC000069844768 302938910 /nfs/dbraw/zinc/93/89/10/302938910.db2.gz ZBRQCBHYTWMNIG-ZIAGYGMSSA-N 0 0 306.410 0.439 50 0 DCAARN CCNS(=O)(=O)[C@H]1CCN(C(=O)NCC[C@@H]2CCOC2)C1 ZINC000332912173 332904220 /nfs/dbraw/zinc/90/42/20/332904220.db2.gz ZLHMBHBEKFFIAL-NEPJUHHUSA-N 0 0 319.427 0.136 50 0 DCAARN CCC[C@H](C)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000018185111 331577845 /nfs/dbraw/zinc/57/78/45/331577845.db2.gz GZFJXGGVNPMRTE-JTQLQIEISA-N 0 0 321.381 0.129 50 0 DCAARN C[C@@H](Cc1ccncc1)NC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000332934175 334129726 /nfs/dbraw/zinc/12/97/26/334129726.db2.gz VILVMNYHZPUQNX-AAEUAGOBSA-N 0 0 303.366 0.432 50 0 DCAARN Cc1nc(C)n(CCCNC(=O)N2CCN3C(=O)OC[C@H]3C2)n1 ZINC000534647224 334315829 /nfs/dbraw/zinc/31/58/29/334315829.db2.gz ACLDWYGFCOMJTN-GFCCVEGCSA-N 0 0 322.369 0.131 50 0 DCAARN Cc1cnn([C@H](C)CNC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000534671104 334320727 /nfs/dbraw/zinc/32/07/27/334320727.db2.gz ASBKIIZAKHWRFI-SECBINFHSA-N 0 0 305.338 0.621 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@@H]2CCNC2=O)c2c1CCCC2 ZINC000534672379 334320776 /nfs/dbraw/zinc/32/07/76/334320776.db2.gz NSCBFLJWZDITOY-GFCCVEGCSA-N 0 0 324.402 0.741 50 0 DCAARN Cc1ccnc(CNC(=O)c2cc3ncc(CCO)cn3n2)c1 ZINC000534661414 334321938 /nfs/dbraw/zinc/32/19/38/334321938.db2.gz XLVBLFJPWGVEHZ-UHFFFAOYSA-N 0 0 311.345 0.898 50 0 DCAARN C[C@H](CCCCNC(=O)c1ccn[nH]1)NC(=O)c1ccn[nH]1 ZINC000408517778 533854662 /nfs/dbraw/zinc/85/46/62/533854662.db2.gz TVKNKLYPRGPAIO-SNVBAGLBSA-N 0 0 304.354 0.851 50 0 DCAARN CS(=O)(=O)c1nccn1CC(=O)N1CCc2ccccc2C1 ZINC000177320867 518173642 /nfs/dbraw/zinc/17/36/42/518173642.db2.gz RVWAUPYAZQCKRD-UHFFFAOYSA-N 0 0 319.386 0.872 50 0 DCAARN O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)[C@@H]1CCOC1 ZINC000238819922 534513568 /nfs/dbraw/zinc/51/35/68/534513568.db2.gz CJYPFHUKTTXOAN-MRVPVSSYSA-N 0 0 309.347 0.316 50 0 DCAARN O=C(NCCn1cnc2ccsc2c1=O)NC[C@H]1CCCO1 ZINC000238879117 534522443 /nfs/dbraw/zinc/52/24/43/534522443.db2.gz OUOAITHJETYDBY-SNVBAGLBSA-N 0 0 322.390 0.936 50 0 DCAARN O=C([C@H]1COc2ccccc2O1)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000299566844 534642396 /nfs/dbraw/zinc/64/23/96/534642396.db2.gz SVVFBAXACJMRND-GXFFZTMASA-N 0 0 316.313 0.233 50 0 DCAARN Cn1cc(I)c(CNC(=O)C(F)F)n1 ZINC000408524467 534737584 /nfs/dbraw/zinc/73/75/84/534737584.db2.gz GVXVWGQAQFOAJD-UHFFFAOYSA-N 0 0 315.061 0.906 50 0 DCAARN C=CC(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000328597477 526914981 /nfs/dbraw/zinc/91/49/81/526914981.db2.gz HRYRHJDLVPFZFN-UHFFFAOYSA-N 0 0 303.322 0.824 50 0 DCAARN CC(C)Cn1ncnc1CN1CCC[C@@H]1c1nc(N)n(C)n1 ZINC000284290830 534927171 /nfs/dbraw/zinc/92/71/71/534927171.db2.gz NXAUMKFERZVVSQ-LLVKDONJSA-N 0 0 304.402 0.982 50 0 DCAARN Cc1cc2nc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc(C)n2n1 ZINC000082310426 545696924 /nfs/dbraw/zinc/69/69/24/545696924.db2.gz NFIXOUBCZBQRPB-JTQLQIEISA-N 0 0 308.363 0.263 50 0 DCAARN O=C([O-])c1n[nH]cc1C[N@@H+]1CCCO[C@@H](Cn2cccn2)C1 ZINC000215826208 545938948 /nfs/dbraw/zinc/93/89/48/545938948.db2.gz GFBLQMVVCQBVDY-GFCCVEGCSA-N 0 0 305.338 0.596 50 0 DCAARN C[C@H](CNC(=O)C1(n2cnnn2)CC1)Oc1cccc(F)c1 ZINC000585105602 546303393 /nfs/dbraw/zinc/30/33/93/546303393.db2.gz UXAWIVBHRSILSX-SNVBAGLBSA-N 0 0 305.313 0.885 50 0 DCAARN Cc1nnc(SCC(=O)N2CCC[C@H](c3nnc[nH]3)C2)o1 ZINC000670440464 547091316 /nfs/dbraw/zinc/09/13/16/547091316.db2.gz SJBOLLTXWCASPP-VIFPVBQESA-N 0 0 308.367 0.994 50 0 DCAARN O=C(CCCn1cnnn1)NCc1[nH]nc2c1CCCCC2 ZINC000670444328 547093849 /nfs/dbraw/zinc/09/38/49/547093849.db2.gz WYNCCLFEEVVYBA-UHFFFAOYSA-N 0 0 303.370 0.762 50 0 DCAARN O[C@H]1CN(c2ncnc3sccc32)C[C@@H]1N1CCOCC1 ZINC000670453110 547096444 /nfs/dbraw/zinc/09/64/44/547096444.db2.gz FXUGHLDBLLECRE-RYUDHWBXSA-N 0 0 306.391 0.573 50 0 DCAARN CC1(C)SC[C@H](C(=O)NCc2cncn2C2CC2)NC1=O ZINC000670468537 547100824 /nfs/dbraw/zinc/10/08/24/547100824.db2.gz JUSPXDYHUAMUBB-LLVKDONJSA-N 0 0 308.407 0.844 50 0 DCAARN Cc1cc(CCNC(=O)N2CCN(c3nncn3C)CC2)on1 ZINC000888093900 661158045 /nfs/dbraw/zinc/15/80/45/661158045.db2.gz GKAGALXAPRQPBV-UHFFFAOYSA-N 0 0 319.369 0.186 50 0 DCAARN O=C(Cc1cccc(O)c1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000888096931 661176014 /nfs/dbraw/zinc/17/60/14/661176014.db2.gz WHCSRBKQMWJOMX-AWEZNQCLSA-N 0 0 317.389 0.358 50 0 DCAARN C[C@H](CNS(C)(=O)=O)OCC(=O)NCc1ccccc1 ZINC000888096990 661176045 /nfs/dbraw/zinc/17/60/45/661176045.db2.gz YKURIBMDQVAKNA-LLVKDONJSA-N 0 0 300.380 0.257 50 0 DCAARN CCO[C@]1(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)CCOC1 ZINC000585088625 661465269 /nfs/dbraw/zinc/46/52/69/661465269.db2.gz IESNJZPVTKARCR-RHSMWYFYSA-N 0 0 324.421 0.947 50 0 DCAARN O=C(c1cncc(=O)[nH]1)N1CCC(Oc2cccnc2)CC1 ZINC000426628699 661667342 /nfs/dbraw/zinc/66/73/42/661667342.db2.gz CUGCYWLEHNACMV-UHFFFAOYSA-N 0 0 300.318 0.849 50 0 DCAARN COCCN1C[C@@H](C(=O)N(C)Cc2c(C)noc2C)CC1=O ZINC000047644389 661686087 /nfs/dbraw/zinc/68/60/87/661686087.db2.gz KTQFBFREXNTNAX-LBPRGKRZSA-N 0 0 309.366 0.745 50 0 DCAARN Cc1cc(=O)cc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)[nH]1 ZINC000426667115 661688224 /nfs/dbraw/zinc/68/82/24/661688224.db2.gz QTDVIQVOOVALAR-GJZGRUSLSA-N 0 0 305.378 0.666 50 0 DCAARN O=C([O-])[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)C1 ZINC000426699907 661695995 /nfs/dbraw/zinc/69/59/95/661695995.db2.gz JMEANWRBXWZILQ-SNVBAGLBSA-N 0 0 322.365 0.517 50 0 DCAARN CN(CCC#N)C(=O)COC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000005182230 662562804 /nfs/dbraw/zinc/56/28/04/662562804.db2.gz VBHSIGZJUVZQGX-UHFFFAOYSA-N 0 0 314.301 0.452 50 0 DCAARN COc1ccc(Cl)cc1CNC(=O)Cn1nc(C)n(C)c1=O ZINC000585090273 666172845 /nfs/dbraw/zinc/17/28/45/666172845.db2.gz VZWHUCMGWJJKKF-UHFFFAOYSA-N 0 0 324.768 0.869 50 0 DCAARN CCOc1ccc(NC(=O)CC(=O)N2CC[C@H](O)[C@@H](O)C2)cc1 ZINC000072138905 666225085 /nfs/dbraw/zinc/22/50/85/666225085.db2.gz KRFZEHLJNBPYBJ-KBPBESRZSA-N 0 0 322.361 0.368 50 0 DCAARN CCN1C[C@@H](CN(C)c2nc3nonc3nc2N(C)C)CC1=O ZINC000012112115 666334509 /nfs/dbraw/zinc/33/45/09/666334509.db2.gz VSTRKBRUXFZUGP-SECBINFHSA-N 0 0 319.369 0.383 50 0 DCAARN CC(C)Cn1c(CN2CCC[C@H]2CO)cnc1S(C)(=O)=O ZINC000012317351 666440527 /nfs/dbraw/zinc/44/05/27/666440527.db2.gz PBFIAKIVUYMAAG-LBPRGKRZSA-N 0 0 315.439 0.899 50 0 DCAARN Cn1cc(C(=O)NCc2nc3c(s2)CCCC3)c(=O)[nH]c1=O ZINC000748306538 667923145 /nfs/dbraw/zinc/92/31/45/667923145.db2.gz JFMQANAQGCDLAV-UHFFFAOYSA-N 0 0 320.374 0.751 50 0 DCAARN O=C(NCCn1cccnc1=O)c1cccc(-n2cccn2)c1 ZINC000828172116 668139698 /nfs/dbraw/zinc/13/96/98/668139698.db2.gz NYXVIDUHSNJLQB-UHFFFAOYSA-N 0 0 309.329 0.859 50 0 DCAARN CN(C)CC(=O)Nc1cccc(NC(=O)CCn2cnnc2)c1 ZINC000952964825 685598101 /nfs/dbraw/zinc/59/81/01/685598101.db2.gz QPNMARDAMONGSW-UHFFFAOYSA-N 0 0 316.365 0.807 50 0 DCAARN CNS(=O)(=O)CCNC(=O)c1c(C)[nH]c(C(C)=O)c1C ZINC000952976891 685600911 /nfs/dbraw/zinc/60/09/11/685600911.db2.gz MWFBVEUHLHQUJE-UHFFFAOYSA-N 0 0 301.368 0.113 50 0 DCAARN CC1=NO[C@@H](C(=O)N2CCN(c3ncnc(C)c3C)CC2)C1 ZINC000952982664 685601720 /nfs/dbraw/zinc/60/17/20/685601720.db2.gz ZRNNHPMZTGQXRE-CYBMUJFWSA-N 0 0 303.366 0.907 50 0 DCAARN CCN1C[C@@H](C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)CC1=O ZINC000952981854 685601867 /nfs/dbraw/zinc/60/18/67/685601867.db2.gz DTIWFZPMDCWXMF-VIFPVBQESA-N 0 0 316.321 0.799 50 0 DCAARN CC[C@@H]1NC(=O)[C@H]2CN(Cc3ccc(C)cc3)CCN2C1=O ZINC000014732882 685049065 /nfs/dbraw/zinc/04/90/65/685049065.db2.gz VALGKODFWNGRHJ-LSDHHAIUSA-N 0 0 301.390 0.916 50 0 DCAARN OC1CCN(c2nc3nonc3nc2N2CCCCC2)CC1 ZINC000015073130 685049605 /nfs/dbraw/zinc/04/96/05/685049605.db2.gz WBKXVAYTGUKAKG-UHFFFAOYSA-N 0 0 304.354 0.964 50 0 DCAARN Nc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CCc3ccccc3C2)n1 ZINC000020638611 685051707 /nfs/dbraw/zinc/05/17/07/685051707.db2.gz BOVNYLGPBPOPST-CYBMUJFWSA-N 0 0 312.373 0.816 50 0 DCAARN CCc1ccc(S(=O)(=O)NC[C@H]2CN(C)C(=O)CO2)cc1 ZINC000074772924 685076724 /nfs/dbraw/zinc/07/67/24/685076724.db2.gz YJXOYTGYXKYBQN-LBPRGKRZSA-N 0 0 312.391 0.385 50 0 DCAARN Cc1cc(C)n(CCN2C[C@]3(CCOC3)CCC2=O)c(=O)n1 ZINC000091943122 685107017 /nfs/dbraw/zinc/10/70/17/685107017.db2.gz MLYPYLMIRQXFDN-MRXNPFEDSA-N 0 0 305.378 0.889 50 0 DCAARN Cn1ccsc1=NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000254701207 685188093 /nfs/dbraw/zinc/18/80/93/685188093.db2.gz MZDMMGHODADPAE-UHFFFAOYSA-N 0 0 301.327 0.810 50 0 DCAARN CN(CC(=O)N1CCC([C@H](O)CO)CC1)Cc1ccncc1 ZINC001772706549 1157844462 /nfs/dbraw/zinc/84/44/62/1157844462.db2.gz TWNZESOBTWKNGM-OAHLLOKOSA-N 0 0 307.394 0.105 50 0 DCAARN Cc1ccc2c(C(=O)N3CC[C@H]4OCC(=O)N[C@H]4C3)cnn2c1 ZINC001772709025 1157846493 /nfs/dbraw/zinc/84/64/93/1157846493.db2.gz GIOFIGFJVHNPHQ-GXTWGEPZSA-N 0 0 314.345 0.372 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cnc[nH]c3=O)C[C@H]2O)on1 ZINC001704301321 1179966278 /nfs/dbraw/zinc/96/62/78/1179966278.db2.gz URKPTFVQVOEJKG-BXKDBHETSA-N 0 0 304.306 0.154 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)Cn3nc(C)cc3N)C[C@@H]2O)on1 ZINC001704302953 1179966815 /nfs/dbraw/zinc/96/68/15/1179966815.db2.gz UALQFDRWBSSIBI-YPMHNXCESA-N 0 0 319.365 0.132 50 0 DCAARN CCc1nc(C)cc(N2C[C@@H]3COC[C@H](C2)[N@H+](CC(=O)[O-])C3)n1 ZINC001704307505 1179967763 /nfs/dbraw/zinc/96/77/63/1179967763.db2.gz IEACJFYQOCAICP-OLZOCXBDSA-N 0 0 320.393 0.569 50 0 DCAARN CN(C)c1nccnc1N1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O ZINC001704313355 1179969084 /nfs/dbraw/zinc/96/90/84/1179969084.db2.gz OIBXESNAJKBFRR-LSDHHAIUSA-N 0 0 322.409 0.414 50 0 DCAARN COc1ccc([C@@H](O)C(=O)N(CCO)Cc2ncc[nH]2)cc1 ZINC001704313047 1179970059 /nfs/dbraw/zinc/97/00/59/1179970059.db2.gz LAHZWKALAHMFNR-CQSZACIVSA-N 0 0 305.334 0.473 50 0 DCAARN CO[C@@H]1C[C@H](C(=O)NCc2ccc(C(=O)N(C)C)o2)CC[C@@H]1O ZINC001704328558 1179973638 /nfs/dbraw/zinc/97/36/38/1179973638.db2.gz LONICQKHJYBMQE-SCDSUCTJSA-N 0 0 324.377 0.774 50 0 DCAARN O=C([C@H]1CNC(=O)N1)N1CCC2(CC1)OCCc1ccsc12 ZINC001704338218 1179977325 /nfs/dbraw/zinc/97/73/25/1179977325.db2.gz PFGBVTGDIJJWLT-LLVKDONJSA-N 0 0 321.402 0.820 50 0 DCAARN COc1nc(N2C[C@@H](Cc3cnccn3)[C@H](O)C2)ncc1F ZINC001704340664 1179979112 /nfs/dbraw/zinc/97/91/12/1179979112.db2.gz LCRDLYMZACPAAP-BXKDBHETSA-N 0 0 305.313 0.454 50 0 DCAARN Cc1cc(C[C@@H]2CN(c3ccc(C(N)=O)cn3)C[C@@H]2O)on1 ZINC001704344125 1179980417 /nfs/dbraw/zinc/98/04/17/1179980417.db2.gz OZDVNXPDVHSOGK-YPMHNXCESA-N 0 0 302.334 0.517 50 0 DCAARN COCCc1noc(CN2C[C@@H](Cc3ccncc3)[C@H](O)C2)n1 ZINC001704344695 1179980701 /nfs/dbraw/zinc/98/07/01/1179980701.db2.gz WAFBNJCQTXPAFZ-ZIAGYGMSSA-N 0 0 318.377 0.689 50 0 DCAARN Cn1nccc1CCC(=O)N1C[C@H](O)[C@H](Cc2ccncc2)C1 ZINC001704348407 1179981599 /nfs/dbraw/zinc/98/15/99/1179981599.db2.gz MKHKPFUNTHYZNM-ZBFHGGJFSA-N 0 0 314.389 0.810 50 0 DCAARN CS(=O)(=O)CCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 ZINC001704351717 1179983145 /nfs/dbraw/zinc/98/31/45/1179983145.db2.gz JPZHIOJUTZDONO-OLZOCXBDSA-N 0 0 312.391 0.190 50 0 DCAARN CS(=O)(=O)N(Cc1ccncc1)C1CN(C(=O)C2CC2)C1 ZINC000581776333 747970352 /nfs/dbraw/zinc/97/03/52/747970352.db2.gz MSXJZOXVLVOKNL-UHFFFAOYSA-N 0 0 309.391 0.464 50 0 DCAARN COc1ccc(S(=O)(=O)N2CC(n3cc(CO)nn3)C2)cc1 ZINC000675017476 748026402 /nfs/dbraw/zinc/02/64/02/748026402.db2.gz CTMSRUDMFHXQDE-UHFFFAOYSA-N 0 0 324.362 0.025 50 0 DCAARN CN(C)C(=O)N(CCNC(=O)c1cnccn1)C1CCOCC1 ZINC000675022487 748028337 /nfs/dbraw/zinc/02/83/37/748028337.db2.gz PWKOWUBTQKEGHB-UHFFFAOYSA-N 0 0 321.381 0.369 50 0 DCAARN CCn1nc(C)c(S(=O)(=O)NCCC(=O)NC(C)C)c1C ZINC000675030906 748029113 /nfs/dbraw/zinc/02/91/13/748029113.db2.gz SEHHWCSJMWOUCE-UHFFFAOYSA-N 0 0 316.427 0.713 50 0 DCAARN CC1(C)CCN(S(=O)(=O)N2C[C@@H]3NCCO[C@H]3C2)CC1 ZINC000822299662 758190351 /nfs/dbraw/zinc/19/03/51/758190351.db2.gz UZCZJDFAGYUIQR-RYUDHWBXSA-N 0 0 303.428 0.026 50 0 DCAARN CCCN1C(=O)N[C@H](Cc2ncnn2-c2cc(C)ccn2)C1=O ZINC000822919160 758213457 /nfs/dbraw/zinc/21/34/57/758213457.db2.gz HELKFJHDKIBFQP-LLVKDONJSA-N 0 0 314.349 0.844 50 0 DCAARN CCc1nc(S(=O)(=O)NC[C@@H]2CCCN(C(C)=O)C2)c[nH]1 ZINC000823484516 758248799 /nfs/dbraw/zinc/24/87/99/758248799.db2.gz OFGSIXOFGBDOMI-NSHDSACASA-N 0 0 314.411 0.509 50 0 DCAARN CO[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc(-c2cc[nH]n2)o1 ZINC000824506414 758778205 /nfs/dbraw/zinc/77/82/05/758778205.db2.gz DUVYPGKVCMBUHL-ONGXEEELSA-N 0 0 313.335 0.362 50 0 DCAARN Cc1cc(=O)[nH]c(CCNS(=O)(=O)N2CCCCCC2)n1 ZINC000825264555 758800241 /nfs/dbraw/zinc/80/02/41/758800241.db2.gz UULUVDDWJYHTFY-UHFFFAOYSA-N 0 0 314.411 0.744 50 0 DCAARN Cc1csc(CNS(=O)(=O)[C@H]2CCS(=O)(=O)C2)n1 ZINC000825258243 758801199 /nfs/dbraw/zinc/80/11/99/758801199.db2.gz FLZPMYVRJKLIBS-QMMMGPOBSA-N 0 0 310.422 0.058 50 0 DCAARN Cn1cccc1-c1cc(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)[nH]n1 ZINC000826846973 758845848 /nfs/dbraw/zinc/84/58/48/758845848.db2.gz VHMIQJBQUOKYKD-GHMZBOCLSA-N 0 0 313.361 0.965 50 0 DCAARN NC(=O)CN1CCN(C(=O)c2cccc3c2CCC3=O)CC1 ZINC000826838824 758848761 /nfs/dbraw/zinc/84/87/61/758848761.db2.gz UBOSNSHCACJPFC-UHFFFAOYSA-N 0 0 301.346 0.059 50 0 DCAARN O=C(Cn1cccn1)NC[C@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000827861571 758889691 /nfs/dbraw/zinc/88/96/91/758889691.db2.gz VMEQFVHFVMGGOH-CYBMUJFWSA-N 0 0 302.382 0.635 50 0 DCAARN O=C(NCCc1nc(-c2cccnc2)no1)C1=NNC(=O)CC1 ZINC000828250482 758963872 /nfs/dbraw/zinc/96/38/72/758963872.db2.gz OVAAWBZTCBSDSG-UHFFFAOYSA-N 0 0 314.305 0.056 50 0 DCAARN COCCn1ncc(N2CC[C@H](C(=O)N3CCCC3)C2)cc1=O ZINC000581793111 760252251 /nfs/dbraw/zinc/25/22/51/760252251.db2.gz WABHGOYYYIVLKV-ZDUSSCGKSA-N 0 0 320.393 0.338 50 0 DCAARN Cn1ccnc1S(=O)(=O)C1CN(C(=O)/C=C/c2ccco2)C1 ZINC000585322710 768080414 /nfs/dbraw/zinc/08/04/14/768080414.db2.gz ZZFPYQJLZUSRHB-SNAWJCMRSA-N 0 0 321.358 0.711 50 0 DCAARN Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)[C@H]1CC(=O)N(C)C1 ZINC000585115125 766283996 /nfs/dbraw/zinc/28/39/96/766283996.db2.gz NKDJIGPENXMQPI-KCJUWKMLSA-N 0 0 315.395 0.373 50 0 DCAARN Cc1noc([C@H]2C[N@@H+](C[C@H]3CCCCN(C)C3=O)CCN2C)n1 ZINC000585117437 766286383 /nfs/dbraw/zinc/28/63/83/766286383.db2.gz CMIKZBJLEPBZOJ-ZIAGYGMSSA-N 0 0 321.425 0.925 50 0 DCAARN Cc1noc([C@@H]2C[N@@H+](C[C@@H]3CCCCN(C)C3=O)CCN2C)n1 ZINC000585117434 766286686 /nfs/dbraw/zinc/28/66/86/766286686.db2.gz CMIKZBJLEPBZOJ-KBPBESRZSA-N 0 0 321.425 0.925 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC(OCCF)C2)C1 ZINC000585129897 766291932 /nfs/dbraw/zinc/29/19/32/766291932.db2.gz AWTDQLPLCMKBAS-LLVKDONJSA-N 0 0 322.402 0.245 50 0 DCAARN COc1ccc(-c2noc(CNS(=O)(=O)N(C)C)n2)cc1 ZINC000585133256 766292849 /nfs/dbraw/zinc/29/28/49/766292849.db2.gz CLWIKFOPXUTLAW-UHFFFAOYSA-N 0 0 312.351 0.641 50 0 DCAARN COc1ccc(CN2C[C@@H](O)[C@H](F)C2)cc1Cn1cncn1 ZINC000952869065 768925554 /nfs/dbraw/zinc/92/55/54/768925554.db2.gz HPPUGQXUNKKXFZ-ZIAGYGMSSA-N 0 0 306.341 0.850 50 0 DCAARN O=S(=O)(c1cn[nH]c1)N1CCCN(Cc2cccnc2)CC1 ZINC000952872603 768935653 /nfs/dbraw/zinc/93/56/53/768935653.db2.gz RVTOUMHZSKVVPI-UHFFFAOYSA-N 0 0 321.406 0.701 50 0 DCAARN Nc1ncc(/C=C/C(=O)N2CCN(c3cnccn3)CC2)cn1 ZINC000952873163 768937444 /nfs/dbraw/zinc/93/74/44/768937444.db2.gz HPGWWJYULWQJAX-OWOJBTEDSA-N 0 0 311.349 0.211 50 0 DCAARN C[C@H]1Cc2cc(NC(=O)c3cc(=O)n(C)c(=O)n3C)ccc2O1 ZINC000952864133 768952898 /nfs/dbraw/zinc/95/28/98/768952898.db2.gz YBZVDUVEOUFSPA-VIFPVBQESA-N 0 0 315.329 0.660 50 0 DCAARN COCCn1cnnc1CN(C)S(=O)(=O)c1cccnc1 ZINC000952865053 768955419 /nfs/dbraw/zinc/95/54/19/768955419.db2.gz ODSRUWGJRYZWHH-UHFFFAOYSA-N 0 0 311.367 0.140 50 0 DCAARN COc1ccc(OC)c(S(=O)(=O)N2C[C@@H](O)[C@H](F)C2)c1 ZINC000952866513 768956518 /nfs/dbraw/zinc/95/65/18/768956518.db2.gz AKJYXZFMTLWNQI-NXEZZACHSA-N 0 0 305.327 0.407 50 0 DCAARN O=C(CCc1ccncc1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001529095221 1014494807 /nfs/dbraw/zinc/49/48/07/1014494807.db2.gz OXMBGWXVHCLGFL-GDBMZVCRSA-N 0 0 312.373 0.866 50 0 DCAARN Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)N1CCNC(=O)C1 ZINC001529103441 1014497081 /nfs/dbraw/zinc/49/70/81/1014497081.db2.gz BRMJFKFZPAVVIR-UHFFFAOYSA-N 0 0 310.335 0.099 50 0 DCAARN COCCn1ccnc1CN1C[C@H](O)[C@H](Cc2cc(C)no2)C1 ZINC001529186291 1014517383 /nfs/dbraw/zinc/51/73/83/1014517383.db2.gz WVJBOWDKMWPQCY-HIFRSBDPSA-N 0 0 320.393 0.861 50 0 DCAARN O=C(Nc1cnn2c1NCCC2)[C@@H]1Cc2ccccc2C(=O)N1 ZINC001506414126 1017262785 /nfs/dbraw/zinc/26/27/85/1017262785.db2.gz WACODWRLYPFMPE-LBPRGKRZSA-N 0 0 311.345 0.992 50 0 DCAARN CNC(=O)C[C@@H]1CCN(C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001506427128 1017269304 /nfs/dbraw/zinc/26/93/04/1017269304.db2.gz XCIIZJNIXPUBQC-JTQLQIEISA-N 0 0 314.345 0.934 50 0 DCAARN Cc1ccc(-c2cc(C(=O)N[C@@H]3C[NH2+][C@H](C(=O)[O-])C3)[nH]n2)s1 ZINC000095498627 185374345 /nfs/dbraw/zinc/37/43/45/185374345.db2.gz KDMZKRGMPQDEKY-KWQFWETISA-N 0 0 320.374 0.992 50 0 DCAARN COCC(=O)N1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1c(C)noc1C ZINC000095497951 185374501 /nfs/dbraw/zinc/37/45/01/185374501.db2.gz YVNIEPVAMRVYKL-QWHCGFSZSA-N 0 0 321.377 0.887 50 0 DCAARN CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCCn1cncn1)C2 ZINC000095522020 185377470 /nfs/dbraw/zinc/37/74/70/185377470.db2.gz GSZPDJLJXWIFEO-UONOGXRCSA-N 0 0 319.409 0.918 50 0 DCAARN Cc1csc([C@H](C)N(C)C(=O)CN2C(=O)CCNC2=O)n1 ZINC000095524362 185377763 /nfs/dbraw/zinc/37/77/63/185377763.db2.gz VULYHZBINWUTSQ-VIFPVBQESA-N 0 0 310.379 0.913 50 0 DCAARN C[C@H]1CN(S(=O)(=O)N(CC(N)=O)C2CCCC2)C[C@H](C)O1 ZINC000047281730 300279706 /nfs/dbraw/zinc/27/97/06/300279706.db2.gz ZBEIEKOFCDVXFS-QWRGUYRKSA-N 0 0 319.427 0.070 50 0 DCAARN COc1c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(C)nn1C ZINC000078895937 185124805 /nfs/dbraw/zinc/12/48/05/185124805.db2.gz TVQUWRQKKDQEEP-DGCLKSJQSA-N 0 0 322.409 0.530 50 0 DCAARN CN(CC(=O)N1CCOCC1)Cn1ccc(C(F)(F)F)n1 ZINC000078919599 185128989 /nfs/dbraw/zinc/12/89/89/185128989.db2.gz QMTBVFIYSQWKNG-UHFFFAOYSA-N 0 0 306.288 0.650 50 0 DCAARN Cc1csc2nc(Cn3cc(Cl)c(=O)[nH]c3=O)cc(=O)n12 ZINC000078965423 185136693 /nfs/dbraw/zinc/13/66/93/185136693.db2.gz TYFPYFWHZLTRTQ-UHFFFAOYSA-N 0 0 324.749 0.616 50 0 DCAARN O=C(CSCC(=O)N1CCOCC1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000079093756 185157152 /nfs/dbraw/zinc/15/71/52/185157152.db2.gz RSBZWSIVZNBFMP-BETUJISGSA-N 0 0 312.435 0.837 50 0 DCAARN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)N(C)Cc1ccco1 ZINC000079100387 185158202 /nfs/dbraw/zinc/15/82/02/185158202.db2.gz LTRRBBIPDHUVDD-VXGBXAGGSA-N 0 0 316.423 0.991 50 0 DCAARN Cc1ccc(N2CCN(C(=O)C3(C(N)=O)CC3)CC2=O)cc1 ZINC000082157656 185174037 /nfs/dbraw/zinc/17/40/37/185174037.db2.gz YBMNMSSKVPUQNB-UHFFFAOYSA-N 0 0 301.346 0.436 50 0 DCAARN CC[C@]1(O)CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000332628453 529438684 /nfs/dbraw/zinc/43/86/84/529438684.db2.gz GLMFLSZQIMXPJA-CABZTGNLSA-N 0 0 308.300 0.771 50 0 DCAARN CCn1cc(S(=O)(=O)NCc2nnc3ccccn32)cn1 ZINC000088767876 185264619 /nfs/dbraw/zinc/26/46/19/185264619.db2.gz RSIZJXLXVIDRIC-UHFFFAOYSA-N 0 0 306.351 0.424 50 0 DCAARN C[C@H](C1CC1)N(C)S(=O)(=O)NCc1nnc2ccccn21 ZINC000088767928 185264788 /nfs/dbraw/zinc/26/47/88/185264788.db2.gz QPWXOFPDRHZEQX-SNVBAGLBSA-N 0 0 309.395 0.794 50 0 DCAARN CCOC(=O)N1CCC(NC(=O)c2cc(C)nc(=O)[nH]2)CC1 ZINC000089984724 185274463 /nfs/dbraw/zinc/27/44/63/185274463.db2.gz RCJKFUQTZOXTEF-UHFFFAOYSA-N 0 0 308.338 0.429 50 0 DCAARN NS(=O)(=O)CC1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000089991717 185275401 /nfs/dbraw/zinc/27/54/01/185275401.db2.gz CNCWRNQNJBMIPR-CQSZACIVSA-N 0 0 316.398 0.860 50 0 DCAARN Cc1nonc1OCCNC(=O)c1cnc(C(C)(C)C)[nH]c1=O ZINC000082099233 192354528 /nfs/dbraw/zinc/35/45/28/192354528.db2.gz JGGBLABYVPBIRC-UHFFFAOYSA-N 0 0 321.337 0.568 50 0 DCAARN O=C(NCCc1ccccc1F)N1CC[C@]2(CC(=O)NC2=O)C1 ZINC000082136859 192360163 /nfs/dbraw/zinc/36/01/63/192360163.db2.gz LCWCZQHWGHGBDV-INIZCTEOSA-N 0 0 319.336 0.816 50 0 DCAARN COCCN1C(=O)[C@H]2CC[C@@H]1CN(c1nc(N)ncc1C)C2 ZINC000095392048 185351805 /nfs/dbraw/zinc/35/18/05/185351805.db2.gz ZNXUZOTXZQHGPE-NWDGAFQWSA-N 0 0 305.382 0.441 50 0 DCAARN CCN(C(=O)CCn1nc2ccccn2c1=O)[C@H](C)COC ZINC000095394676 185352582 /nfs/dbraw/zinc/35/25/82/185352582.db2.gz KCESWQOHSGHSKI-GFCCVEGCSA-N 0 0 306.366 0.770 50 0 DCAARN CC[C@@H](C(=O)NCc1cc2c([nH]c1=O)CCC2)N1CCCC1=O ZINC000095404294 185355524 /nfs/dbraw/zinc/35/55/24/185355524.db2.gz WVKDLSBHNKLSQG-AWEZNQCLSA-N 0 0 317.389 0.881 50 0 DCAARN CN1CCN(C2=N[C@@H](CC(=O)Nc3ccccc3)C(=O)N2)CC1 ZINC000013693027 190638254 /nfs/dbraw/zinc/63/82/54/190638254.db2.gz XRMWAEQEVILFBK-ZDUSSCGKSA-N 0 0 315.377 0.117 50 0 DCAARN CCn1cc(S(=O)(=O)N[C@H](CO)Cc2ccccc2)cn1 ZINC000095432912 185363930 /nfs/dbraw/zinc/36/39/30/185363930.db2.gz XWEBVFMRJIQQIT-ZDUSSCGKSA-N 0 0 309.391 0.785 50 0 DCAARN CN(Cc1ccccc1)C[C@H](O)Cn1ccnc1S(C)(=O)=O ZINC000095438710 185365642 /nfs/dbraw/zinc/36/56/42/185365642.db2.gz OAULYRQAMGUYGU-AWEZNQCLSA-N 0 0 323.418 0.780 50 0 DCAARN O=S(=O)(NC[C@@H]1COC2(CCCC2)O1)N1CCCCC1 ZINC000095459478 185370690 /nfs/dbraw/zinc/37/06/90/185370690.db2.gz FFECPCAYBSKJJT-GFCCVEGCSA-N 0 0 304.412 0.992 50 0 DCAARN CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCOCC2)s1 ZINC000016622822 190642099 /nfs/dbraw/zinc/64/20/99/190642099.db2.gz DJNNZQNMVXHVNS-UHFFFAOYSA-N 0 0 305.381 0.431 50 0 DCAARN O=C(NCCN1CCOCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000097016349 185397535 /nfs/dbraw/zinc/39/75/35/185397535.db2.gz ZAPULQDBNHIBSJ-GOEBONIOSA-N 0 0 311.426 0.655 50 0 DCAARN CN1NN=C2C1=NCC[C@@H]2C(=O)N1CCOC2(CCCCC2)C1 ZINC000408517115 529831264 /nfs/dbraw/zinc/83/12/64/529831264.db2.gz KNHBJPLJTRTGLJ-LBPRGKRZSA-N 0 0 319.409 0.773 50 0 DCAARN COc1nccnc1O[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC000225808045 201749789 /nfs/dbraw/zinc/74/97/89/201749789.db2.gz QSZQZRMLZGDDCC-JTQLQIEISA-N 0 0 301.306 0.569 50 0 DCAARN CNS(=O)(=O)C1CCN(C(=O)[C@](C)(OC)C2CC2)CC1 ZINC000331960785 530013394 /nfs/dbraw/zinc/01/33/94/530013394.db2.gz LNTRWLZDILFIQZ-CYBMUJFWSA-N 0 0 304.412 0.342 50 0 DCAARN COc1ccc(C(=O)N2CCO[C@H](COCC3CC3)C2)nn1 ZINC000170600909 197784770 /nfs/dbraw/zinc/78/47/70/197784770.db2.gz DUJXOHSRFZCBDT-LBPRGKRZSA-N 0 0 307.350 0.753 50 0 DCAARN Nc1nnnn1CC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000067770945 190720606 /nfs/dbraw/zinc/72/06/06/190720606.db2.gz XOIGAUGUGYZKTC-UHFFFAOYSA-N 0 0 315.312 0.461 50 0 DCAARN CCn1cc(S(=O)(=O)N(C)[C@@H](C)C[S@@](C)=O)nc1C ZINC000331084483 232501942 /nfs/dbraw/zinc/50/19/42/232501942.db2.gz ZISWDCLDAWFIJO-NIVTXAMTSA-N 0 0 307.441 0.599 50 0 DCAARN Cc1nccc(C(=O)N2CCN(C[C@H](O)C(C)(C)C)CC2)n1 ZINC000069894550 190834317 /nfs/dbraw/zinc/83/43/17/190834317.db2.gz XJZGTESOCHZFFL-AWEZNQCLSA-N 0 0 306.410 0.950 50 0 DCAARN C[C@H](NC(=O)CN1CCO[C@H](Cn2cncn2)C1)c1ccco1 ZINC000070011641 190849305 /nfs/dbraw/zinc/84/93/05/190849305.db2.gz KREHONZJQAAKGR-STQMWFEESA-N 0 0 319.365 0.449 50 0 DCAARN C[C@@H]1CCO[C@@H]1C(=O)N1CCN(C(=O)Cc2ccccn2)CC1 ZINC000129927908 185922305 /nfs/dbraw/zinc/92/23/05/185922305.db2.gz SWLPAPPOQVYKJN-CJNGLKHVSA-N 0 0 317.389 0.720 50 0 DCAARN CNC(=O)CN(C)c1nc(C)c2ccc(S(C)(=O)=O)cc2n1 ZINC000071278568 190951156 /nfs/dbraw/zinc/95/11/56/190951156.db2.gz JAIILYZIXWFBOD-UHFFFAOYSA-N 0 0 322.390 0.524 50 0 DCAARN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000084012076 192395367 /nfs/dbraw/zinc/39/53/67/192395367.db2.gz VNKFGBHXSURZPN-IUIKQTSFSA-N 0 0 320.437 0.757 50 0 DCAARN COC(=O)c1ncn(CC(=O)NC[C@@H]2Cc3ccccc3O2)n1 ZINC000083897575 192390815 /nfs/dbraw/zinc/39/08/15/192390815.db2.gz HKJVBVTYPRNJDQ-NSHDSACASA-N 0 0 316.317 0.185 50 0 DCAARN CNC(=O)c1noc(CN2CCC[C@@H](N3CCCC3=O)C2)n1 ZINC000071738404 191019453 /nfs/dbraw/zinc/01/94/53/191019453.db2.gz VCWUZIFTHQTFDI-SNVBAGLBSA-N 0 0 307.354 0.016 50 0 DCAARN CCn1cnnc1CCNS(=O)(=O)NCc1ccccc1 ZINC000071745169 191019659 /nfs/dbraw/zinc/01/96/59/191019659.db2.gz XDPLXWDKKUVQGP-UHFFFAOYSA-N 0 0 309.395 0.465 50 0 DCAARN CC(=O)c1ccc(N2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)nc1 ZINC000071746926 191020887 /nfs/dbraw/zinc/02/08/87/191020887.db2.gz KNXLGQYNOLMRHW-HZPDHXFCSA-N 0 0 318.421 0.471 50 0 DCAARN Cc1cnc2c(C(=O)NCCSc3nc[nH]n3)cnn2c1 ZINC000071751452 191021896 /nfs/dbraw/zinc/02/18/96/191021896.db2.gz LUBIZBZKZYWIAG-UHFFFAOYSA-N 0 0 303.351 0.678 50 0 DCAARN O=C(NCc1ccc(-c2ccccn2)s1)[C@@H]1CNCC(=O)N1 ZINC000071764814 191027709 /nfs/dbraw/zinc/02/77/09/191027709.db2.gz KEDIDNYYAKXGRY-LBPRGKRZSA-N 0 0 316.386 0.514 50 0 DCAARN O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CNCC(=O)N1 ZINC000071765245 191028306 /nfs/dbraw/zinc/02/83/06/191028306.db2.gz RBWLRKOSPCTGBL-ZDUSSCGKSA-N 0 0 312.329 0.900 50 0 DCAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(N)=O)c(C)c1C ZINC000072133693 191045015 /nfs/dbraw/zinc/04/50/15/191045015.db2.gz VDCSOSUNJNKKBO-CYBMUJFWSA-N 0 0 305.378 0.488 50 0 DCAARN CCc1nccn1CCC(=O)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC000072135197 191046970 /nfs/dbraw/zinc/04/69/70/191046970.db2.gz XDOMJRNOCASDMO-OAHLLOKOSA-N 0 0 306.366 0.937 50 0 DCAARN Cc1cc(C)n2nc(C(=O)N3CCC[C@](O)(CO)C3)cc2n1 ZINC000072146367 191053753 /nfs/dbraw/zinc/05/37/53/191053753.db2.gz RXYYGNZFSJWZRI-OAHLLOKOSA-N 0 0 304.350 0.306 50 0 DCAARN Cn1nc(C(F)(F)F)cc1C(=O)N1CCC[C@@](O)(CO)CC1 ZINC000072151107 191056054 /nfs/dbraw/zinc/05/60/54/191056054.db2.gz UHQMJENXJXLKJZ-LBPRGKRZSA-N 0 0 321.299 0.788 50 0 DCAARN CN1C[C@@]2(CCCN(C(=O)CCn3cnnc3)CC2)OC1=O ZINC000072158507 191060747 /nfs/dbraw/zinc/06/07/47/191060747.db2.gz DIXPADMSEQDVQM-AWEZNQCLSA-N 0 0 307.354 0.502 50 0 DCAARN Nc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cnn3ccccc13)C2 ZINC000072168596 191068747 /nfs/dbraw/zinc/06/87/47/191068747.db2.gz CSJXKNSPDMOWES-UHFFFAOYSA-N 0 0 310.317 0.198 50 0 DCAARN Cc1ccc(-n2cc(C(=O)N3CCC[C@H](C(N)=O)C3)nn2)cc1 ZINC000072273617 191095390 /nfs/dbraw/zinc/09/53/90/191095390.db2.gz RISRYYLUQPNFMD-LBPRGKRZSA-N 0 0 313.361 0.913 50 0 DCAARN NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000179688018 186205541 /nfs/dbraw/zinc/20/55/41/186205541.db2.gz BVZSWJQRSPJZQK-SNVBAGLBSA-N 0 0 304.755 0.215 50 0 DCAARN Cc1nnc([C@@H]2CN(Cc3nnc(C4CC4)n3C)CCO2)[nH]1 ZINC000072300119 191114526 /nfs/dbraw/zinc/11/45/26/191114526.db2.gz ZUJLSPRPCXRDNL-NSHDSACASA-N 0 0 303.370 0.693 50 0 DCAARN Cn1nccc1N1CCC[C@H](NC(=O)CC2OCCCO2)C1 ZINC000253392615 186302886 /nfs/dbraw/zinc/30/28/86/186302886.db2.gz IYOTWKQTYOTFQF-LBPRGKRZSA-N 0 0 308.382 0.658 50 0 DCAARN Cn1nccc1N1CCC[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC000253394827 186304231 /nfs/dbraw/zinc/30/42/31/186304231.db2.gz ASANBEWOGLKCAN-MLGOLLRUSA-N 0 0 319.409 0.421 50 0 DCAARN CC(C)C[C@H](NC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C)C(=O)NCCO ZINC000253397470 186305393 /nfs/dbraw/zinc/30/53/93/186305393.db2.gz QZLPKLUDNGENHM-ZDEQEGDKSA-N 0 0 300.399 0.439 50 0 DCAARN CC(C)[C@@H](CO)NC(=O)COc1ccc(-c2nnn(C)n2)cc1 ZINC000253403464 186307392 /nfs/dbraw/zinc/30/73/92/186307392.db2.gz HENIZALHBBDUMS-CYBMUJFWSA-N 0 0 319.365 0.389 50 0 DCAARN COCc1nnc(NC(=O)CCNC(=O)c2cnccn2)s1 ZINC000072406027 191152030 /nfs/dbraw/zinc/15/20/30/191152030.db2.gz ZTPWWPWZHAAXQC-UHFFFAOYSA-N 0 0 322.350 0.233 50 0 DCAARN CCCN1CCN(Cc2nccn2C)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072427908 191161066 /nfs/dbraw/zinc/16/10/66/191161066.db2.gz MGPIWXLNIYMWQF-OLZOCXBDSA-N 0 0 312.439 0.113 50 0 DCAARN Cc1cc(N2CCn3nc(CCC(=O)[O-])cc3C2)nc(N)[nH+]1 ZINC000072432341 191164897 /nfs/dbraw/zinc/16/48/97/191164897.db2.gz PLIMIKUUXNHHIU-UHFFFAOYSA-N 0 0 302.338 0.601 50 0 DCAARN Cc1ccc(C(=O)N2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)c(O)c1 ZINC000072474732 191176701 /nfs/dbraw/zinc/17/67/01/191176701.db2.gz VAFYFQZWAMNBCK-OLZOCXBDSA-N 0 0 324.402 0.254 50 0 DCAARN COCCn1cnnc1CCNc1cc(C)nc2ccnn21 ZINC000072479412 191179827 /nfs/dbraw/zinc/17/98/27/191179827.db2.gz UAUHHNIKUNVYFM-UHFFFAOYSA-N 0 0 301.354 0.930 50 0 DCAARN O=C1CCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000188710 180720067 /nfs/dbraw/zinc/72/00/67/180720067.db2.gz HXAPBZUYCGKHAP-UHFFFAOYSA-N 0 0 310.375 0.834 50 0 DCAARN Cn1cccc1[C@@H]1CCCN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000331821020 234163036 /nfs/dbraw/zinc/16/30/36/234163036.db2.gz MBMOBVCOEWCUDY-VIFPVBQESA-N 0 0 303.322 0.786 50 0 DCAARN NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000331840771 234184276 /nfs/dbraw/zinc/18/42/76/234184276.db2.gz UGJXQPZPGVTRCR-NSHDSACASA-N 0 0 321.362 0.190 50 0 DCAARN Cc1nnc(NC(=O)Cn2nnc3ccccc3c2=O)s1 ZINC000001328169 180855378 /nfs/dbraw/zinc/85/53/78/180855378.db2.gz FTNONLFOHIEMPJ-UHFFFAOYSA-N 0 0 302.319 0.590 50 0 DCAARN COc1cc2[nH]c(=O)n(C[C@@H]3CCCO3)c(=O)c2cc1OC ZINC000002467889 180925597 /nfs/dbraw/zinc/92/55/97/180925597.db2.gz JFVALTCBEXDZPN-VIFPVBQESA-N 0 0 306.318 0.886 50 0 biogenic DCAARN Cc1ccc(CCNC(=O)N2C[C@H]3OCCN(C)[C@H]3C2)nc1 ZINC000332015144 234390702 /nfs/dbraw/zinc/39/07/02/234390702.db2.gz YCCQPXXWDQYOKI-LSDHHAIUSA-N 0 0 304.394 0.657 50 0 DCAARN CCN(CC)C(=O)CCN(N)C1=NS(=O)(=O)c2ccccc21 ZINC000002968638 180972489 /nfs/dbraw/zinc/97/24/89/180972489.db2.gz IMARIUUQIFRKHK-UHFFFAOYSA-N 0 0 324.406 0.570 50 0 DCAARN O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCOCC1 ZINC000003203108 180990993 /nfs/dbraw/zinc/99/09/93/180990993.db2.gz SFTSCJPQKNIDMS-UHFFFAOYSA-N 0 0 324.402 0.944 50 0 DCAARN CC(=O)c1sc2c(c1N)c(=O)[nH]c(=O)n2C[C@@H]1CCCO1 ZINC000003329029 181006277 /nfs/dbraw/zinc/00/62/77/181006277.db2.gz BQKXKPGYARMNRU-ZETCQYMHSA-N 0 0 309.347 0.715 50 0 DCAARN COCCCNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003313521 181003375 /nfs/dbraw/zinc/00/33/75/181003375.db2.gz JKDXBMOZAPGXOP-UHFFFAOYSA-N 0 0 304.350 0.616 50 0 DCAARN COCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O ZINC000003461123 181023823 /nfs/dbraw/zinc/02/38/23/181023823.db2.gz AJKTWSMHGIFPEU-INIZCTEOSA-N 0 0 319.361 0.525 50 0 DCAARN CCCCCCN1C(=O)C[C@H](SC[C@@H]([NH3+])C(=O)[O-])C1=O ZINC000003771325 181045019 /nfs/dbraw/zinc/04/50/19/181045019.db2.gz VENBUKGMIBBKTQ-ZJUUUORDSA-N 0 0 302.396 0.839 50 0 DCAARN CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1nc(C)cs1 ZINC000004101940 181073520 /nfs/dbraw/zinc/07/35/20/181073520.db2.gz FWTIRGYZXBFQMR-VIFPVBQESA-N 0 0 319.408 0.329 50 0 DCAARN Cc1cc(=O)[nH]c2nnc(SCC(=O)N3CCCCC3)n21 ZINC000004249845 181087890 /nfs/dbraw/zinc/08/78/90/181087890.db2.gz XKABTOHAKMHMPJ-UHFFFAOYSA-N 0 0 307.379 0.831 50 0 DCAARN Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n(N)c1=O ZINC000004337920 181099940 /nfs/dbraw/zinc/09/99/40/181099940.db2.gz ADABQHQSNPOJDJ-UHFFFAOYSA-N 0 0 309.326 0.530 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccc(C)cc3)C(=O)[C@]2(C)NN1 ZINC000004427123 181108834 /nfs/dbraw/zinc/10/88/34/181108834.db2.gz BRQFQQZGMSCVNR-ZUZCIYMTSA-N 0 0 301.302 0.375 50 0 DCAARN O=C(NCCO)[C@H](C(=O)c1ccccc1)n1ccccc1=O ZINC000004435593 181109996 /nfs/dbraw/zinc/10/99/96/181109996.db2.gz CXWZWHVDSXRFGG-AWEZNQCLSA-N 0 0 300.314 0.381 50 0 DCAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1nc[nH]n1 ZINC000004664038 181133649 /nfs/dbraw/zinc/13/36/49/181133649.db2.gz KIUVCUXFDHMOFT-UHFFFAOYSA-N 0 0 321.362 0.842 50 0 DCAARN COCCN1CC2=C(C1=O)[C@H](c1cccc(F)c1)NC(=O)N2 ZINC000004776257 181151390 /nfs/dbraw/zinc/15/13/90/181151390.db2.gz IKDJZNIIOUYDSB-ZDUSSCGKSA-N 0 0 305.309 0.922 50 0 DCAARN COC(=O)CCNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000032124065 291042739 /nfs/dbraw/zinc/04/27/39/291042739.db2.gz JIBKZCBPIMXNPQ-NSHDSACASA-N 0 0 319.317 0.456 50 0 biogenic DCAARN CC(C)CNc1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1 ZINC000004818227 181156230 /nfs/dbraw/zinc/15/62/30/181156230.db2.gz BCFTXLJXDRKIFA-UHFFFAOYSA-N 0 0 305.342 0.881 50 0 DCAARN O=C(NC(=S)N[C@H]1CCS(=O)(=O)C1)c1ccccc1F ZINC000004890707 181168413 /nfs/dbraw/zinc/16/84/13/181168413.db2.gz JWNVKUUJHVVVOU-QMMMGPOBSA-N 0 0 316.379 0.617 50 0 DCAARN Cc1cc(C)c(CNC(=O)NCCNc2ncccn2)c(=O)[nH]1 ZINC000075117948 191422476 /nfs/dbraw/zinc/42/24/76/191422476.db2.gz 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/nfs/dbraw/zinc/31/46/72/181314672.db2.gz GBYPJIMGSDNOIU-MRVPVSSYSA-N 0 0 308.290 0.955 50 0 DCAARN CC1=NN(C(=O)c2ccn(Cn3cccn3)n2)[C@@](O)(C(F)F)C1 ZINC000006395374 181337454 /nfs/dbraw/zinc/33/74/54/181337454.db2.gz NCZIOKBRYLGEKR-ZDUSSCGKSA-N 0 0 324.291 0.761 50 0 DCAARN O=C1NCC[C@H]1Oc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000408525424 239273752 /nfs/dbraw/zinc/27/37/52/239273752.db2.gz VUTHVYSFZDNVBN-CYBMUJFWSA-N 0 0 310.375 0.738 50 0 DCAARN O=C(Cc1ccccc1Cl)N1CC(N2C(=O)CNC2=O)C1 ZINC000245026640 202511179 /nfs/dbraw/zinc/51/11/79/202511179.db2.gz NEKKLDDQQWVCFB-UHFFFAOYSA-N 0 0 307.737 0.645 50 0 DCAARN COc1ccccc1-c1nnc(SCC(=O)NC(N)=O)n1C ZINC000006543003 181352782 /nfs/dbraw/zinc/35/27/82/181352782.db2.gz UEJPLNMCNIHREG-UHFFFAOYSA-N 0 0 321.362 0.778 50 0 DCAARN NC(=O)c1c2c(sc1NC(=O)C(=O)N1CCOCC1)CCC2 ZINC000006669791 181368700 /nfs/dbraw/zinc/36/87/00/181368700.db2.gz OAYIDLSCAFSRSP-UHFFFAOYSA-N 0 0 323.374 0.133 50 0 DCAARN Cn1c(=O)c2sccc2n(CC(=O)N2CCCCC2)c1=O ZINC000006679647 181369777 /nfs/dbraw/zinc/36/97/77/181369777.db2.gz VQJPJTZHCSWXGY-UHFFFAOYSA-N 0 0 307.375 0.774 50 0 DCAARN O=C(c1cnccn1)N1CC[C@H](S(=O)(=O)Cc2ccco2)C1 ZINC000206691013 201430179 /nfs/dbraw/zinc/43/01/79/201430179.db2.gz CZVBTFNWXGZLMT-LBPRGKRZSA-N 0 0 321.358 0.899 50 0 DCAARN O=C(CO)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 ZINC000091289385 193032016 /nfs/dbraw/zinc/03/20/16/193032016.db2.gz SPYBUOFNZLAXAT-UHFFFAOYSA-N 0 0 306.366 0.024 50 0 DCAARN CC(C)OCC(=O)N1C[C@H](NS(C)(=O)=O)[C@@H](C(C)C)C1 ZINC000091304952 193036996 /nfs/dbraw/zinc/03/69/96/193036996.db2.gz STYIHZULEQBZBJ-NEPJUHHUSA-N 0 0 306.428 0.444 50 0 DCAARN COCC[C@]1(C(=O)[O-])CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000091595835 193077909 /nfs/dbraw/zinc/07/79/09/193077909.db2.gz YIWBWZLLSVFMJF-OAHLLOKOSA-N 0 0 314.382 0.049 50 0 DCAARN O=C1N(C2CCOCC2)CCC[C@]12CCN(Cc1cn[nH]n1)C2 ZINC000091474908 193061044 /nfs/dbraw/zinc/06/10/44/193061044.db2.gz FSWWGPHVICYFAJ-MRXNPFEDSA-N 0 0 319.409 0.798 50 0 DCAARN CCc1nnc(CN(CC)C(=O)[C@@H]2CC(=O)N(C3CC3)C2)o1 ZINC000091656339 193085468 /nfs/dbraw/zinc/08/54/68/193085468.db2.gz WGLJYHBVPUNAGD-SNVBAGLBSA-N 0 0 306.366 0.991 50 0 DCAARN CCn1cnnc1CN1CC[C@@]2(C1)CCCN(CCO)C2=O ZINC000091746304 193101623 /nfs/dbraw/zinc/10/16/23/193101623.db2.gz RUKQBLOHXMEXQT-OAHLLOKOSA-N 0 0 307.398 0.105 50 0 DCAARN CC[C@H](C(=O)N1CCN(c2ncccn2)CC1)n1cccn1 ZINC000091713379 193095864 /nfs/dbraw/zinc/09/58/64/193095864.db2.gz WXPKZLJFRHDOOR-CYBMUJFWSA-N 0 0 300.366 0.973 50 0 DCAARN CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(c1ncccc1F)C2 ZINC000091829546 193113433 /nfs/dbraw/zinc/11/34/33/193113433.db2.gz ZOVVETQYJPKBHN-NWDGAFQWSA-N 0 0 320.368 0.736 50 0 DCAARN O=C1NC[C@@H]2CN(Cc3cc4cc(F)ccc4o3)CCN2C1=O ZINC000091865890 193120119 /nfs/dbraw/zinc/12/01/19/193120119.db2.gz QHDHVEOUTAAIIJ-GFCCVEGCSA-N 0 0 317.320 0.715 50 0 DCAARN O=C(CSc1ccncc1)N1CCC2(CC1)[C@H](O)C[C@@H]2O ZINC000091998067 193139376 /nfs/dbraw/zinc/13/93/76/193139376.db2.gz LUAIZRKAAWFPQS-BETUJISGSA-N 0 0 308.403 0.908 50 0 DCAARN Cc1cc(C)nc(CCNC(=O)[C@H]2CC(=O)N(C3CC3)C2)n1 ZINC000092061540 193149898 /nfs/dbraw/zinc/14/98/98/193149898.db2.gz YVVFLDIZCXPFLR-LBPRGKRZSA-N 0 0 302.378 0.763 50 0 DCAARN CCc1c(C)cc(C(=O)N[C@H]2C=CS(=O)(=O)C2)c(=O)n1C ZINC000215754543 201468558 /nfs/dbraw/zinc/46/85/58/201468558.db2.gz OHJJIDVNNGVZLF-JTQLQIEISA-N 0 0 310.375 0.297 50 0 DCAARN c1nc(N2CCCCC2)ncc1CN1CC(N2CCOCC2)C1 ZINC000215314830 201458526 /nfs/dbraw/zinc/45/85/26/201458526.db2.gz GYWFCMPDIBLCSY-UHFFFAOYSA-N 0 0 317.437 0.983 50 0 DCAARN Nc1nccc(C2CC[NH+](Cc3c[nH]nc3C(=O)[O-])CC2)n1 ZINC000216174661 201482774 /nfs/dbraw/zinc/48/27/74/201482774.db2.gz LBHNLAMTBOPGGB-UHFFFAOYSA-N 0 0 302.338 0.860 50 0 DCAARN CC(C)(C)C[C@@H](NC(=O)Cn1nnnc1N)c1cccnc1 ZINC000220438027 201575777 /nfs/dbraw/zinc/57/57/77/201575777.db2.gz CULPZODBHBHAAZ-LLVKDONJSA-N 0 0 303.370 0.944 50 0 DCAARN Cn1nccc1CCC(=O)N[C@H]1C[C@@H](c2nnc(CO)n2C)C1 ZINC000222332300 201608176 /nfs/dbraw/zinc/60/81/76/201608176.db2.gz 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/nfs/dbraw/zinc/43/48/78/193434878.db2.gz OYYKKCHUNCYYQW-LBPRGKRZSA-N 0 0 319.409 0.655 50 0 DCAARN O=C(CN1CCOCC1)OC[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000095943909 193453793 /nfs/dbraw/zinc/45/37/93/193453793.db2.gz RZVRDJQZGPIOPQ-AWEZNQCLSA-N 0 0 318.373 0.915 50 0 DCAARN Cc1noc([C@H]2CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)n1 ZINC000095955365 193457928 /nfs/dbraw/zinc/45/79/28/193457928.db2.gz DSCZCODDMATLSJ-SCZZXKLOSA-N 0 0 316.383 0.022 50 0 DCAARN Cc1ccoc1C(=O)NCCCNC(=O)NCc1cnn(C)c1 ZINC000096415331 193627716 /nfs/dbraw/zinc/62/77/16/193627716.db2.gz XEVQNUIXPLWCPG-UHFFFAOYSA-N 0 0 319.365 0.941 50 0 DCAARN Cn1cc(NC(=O)CCCc2ccccn2)c(=O)n(C)c1=O ZINC000096418362 193629573 /nfs/dbraw/zinc/62/95/73/193629573.db2.gz HICZLUHRTXHIRG-UHFFFAOYSA-N 0 0 302.334 0.440 50 0 DCAARN CS(=O)(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2F)C1=O ZINC000008507004 181560840 /nfs/dbraw/zinc/56/08/40/181560840.db2.gz UVVTZCZBSIWZNR-NSHDSACASA-N 0 0 314.338 0.681 50 0 DCAARN O=C(c1ccccc1)N1CCN(C(=O)c2ccc[n+]([O-])c2)CC1 ZINC000008748276 181583183 /nfs/dbraw/zinc/58/31/83/181583183.db2.gz HLSKVVGGOFAPEB-UHFFFAOYSA-N 0 0 311.341 0.918 50 0 DCAARN Cc1nnc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)s1 ZINC000009167821 181605486 /nfs/dbraw/zinc/60/54/86/181605486.db2.gz JWWAZDMMPAMCGC-UHFFFAOYSA-N 0 0 303.303 0.629 50 0 DCAARN Cc1nn(C)c(C)c1CC(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000010269120 181662696 /nfs/dbraw/zinc/66/26/96/181662696.db2.gz KKQPKOLJFXFMFS-OAHLLOKOSA-N 0 0 300.362 0.922 50 0 DCAARN COc1cc(/C=C/C(=O)N2CCNC(=O)C2)cc2c1OCCO2 ZINC000012749201 181792221 /nfs/dbraw/zinc/79/22/21/181792221.db2.gz ANNBPDOBMLNEBC-NSCUHMNNSA-N 0 0 318.329 0.438 50 0 DCAARN Cc1ccc(O[C@H](C)C(=O)NCCNS(C)(=O)=O)cc1 ZINC000012913015 181810908 /nfs/dbraw/zinc/81/09/08/181810908.db2.gz CCCRWKFUJSPKIP-LLVKDONJSA-N 0 0 300.380 0.428 50 0 DCAARN CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c3nc[nH]c4=S)[C@@H]2O1 ZINC000013152612 181834319 /nfs/dbraw/zinc/83/43/19/181834319.db2.gz HXZCOKXEDYVENB-WOUKDFQISA-N 0 0 324.362 0.525 50 0 DCAARN COC(=O)[C@H](C)OC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000014070658 181923223 /nfs/dbraw/zinc/92/32/23/181923223.db2.gz RBBCDNGEQMJKHM-VIFPVBQESA-N 0 0 304.302 0.960 50 0 DCAARN Cn1nccc1C(=O)N(CCC(N)=O)CCc1ccccc1 ZINC000097323866 193707526 /nfs/dbraw/zinc/70/75/26/193707526.db2.gz MTJFJDXPFMMYSK-UHFFFAOYSA-N 0 0 300.362 0.980 50 0 DCAARN Nc1cc(=O)[nH]c(SCC(=O)NCc2ccc(F)cc2)n1 ZINC000015587200 182008294 /nfs/dbraw/zinc/00/82/94/182008294.db2.gz YCELZDDJGCJZFN-UHFFFAOYSA-N 0 0 308.338 0.900 50 0 DCAARN COCCCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000015731539 182014233 /nfs/dbraw/zinc/01/42/33/182014233.db2.gz BGEJJLVTUXOFGO-UHFFFAOYSA-N 0 0 312.391 0.993 50 0 DCAARN CN1C(=O)NC2(CCN(C(=O)c3ccccc3F)CC2)C1=O ZINC000016915591 182064645 /nfs/dbraw/zinc/06/46/45/182064645.db2.gz JFAPGTKZWZCMAN-UHFFFAOYSA-N 0 0 305.309 0.982 50 0 DCAARN CC1(C)O[C@@H]2O[C@@H]([C@@H](O)COC(=O)c3ccccc3)[C@@H](O)[C@@H]2O1 ZINC000017289787 182081052 /nfs/dbraw/zinc/08/10/52/182081052.db2.gz YZTNJMSUDMOQJM-KBRXKUPHSA-N 0 0 324.329 0.442 50 0 DCAARN Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000018156144 182095051 /nfs/dbraw/zinc/09/50/51/182095051.db2.gz RPWLQQHFWUYKBF-UHFFFAOYSA-N 0 0 320.330 0.812 50 0 DCAARN Cn1nnnc1SCCC(=O)NC1Cc2ccccc2C1 ZINC000019642560 182134606 /nfs/dbraw/zinc/13/46/06/182134606.db2.gz XSXIWQJLKMYJSX-UHFFFAOYSA-N 0 0 303.391 0.976 50 0 DCAARN O=C(NCCN1CCOCC1)c1c(=O)[nH]c2c(c1O)CCCC2 ZINC000020101629 182186903 /nfs/dbraw/zinc/18/69/03/182186903.db2.gz FWXNMUMTWXDEEK-UHFFFAOYSA-N 0 0 321.377 0.021 50 0 DCAARN CC(C)N(C)Cc1nnnn1CC(=O)N(C)C[C@@H]1CCCCO1 ZINC000020109960 182187502 /nfs/dbraw/zinc/18/75/02/182187502.db2.gz SUAUZIRPAKJVHG-ZDUSSCGKSA-N 0 0 324.429 0.541 50 0 DCAARN CCCc1cn(C2CCN(C(=O)Cn3cncn3)CC2)nn1 ZINC000020212271 182197663 /nfs/dbraw/zinc/19/76/63/182197663.db2.gz HSZKDFYSLPBHTO-UHFFFAOYSA-N 0 0 303.370 0.686 50 0 DCAARN CC[C@@H](C)[C@H](NC(=O)NCCN1CCOCC1)C(=O)OC ZINC000020440724 182218023 /nfs/dbraw/zinc/21/80/23/182218023.db2.gz NHINASDRTMXAOA-NEPJUHHUSA-N 0 0 301.387 0.206 50 0 DCAARN CN1CCc2c(sc3c2c(NCCCO)nc2nnnn23)C1 ZINC000020504089 182225139 /nfs/dbraw/zinc/22/51/39/182225139.db2.gz RXHWGCHKSNJWBS-UHFFFAOYSA-N 0 0 319.394 0.516 50 0 DCAARN C[C@@H](O)CNC(=O)c1nn(-c2ccc(Cl)cc2)nc1CO ZINC000020869315 182250555 /nfs/dbraw/zinc/25/05/55/182250555.db2.gz QPSFUQDGFINYBS-MRVPVSSYSA-N 0 0 310.741 0.524 50 0 DCAARN CC[C@H](CO)NC(=O)c1nn(-c2ccc(Cl)cc2)nc1CO ZINC000020869344 182250973 /nfs/dbraw/zinc/25/09/73/182250973.db2.gz WIMLPCGGCMPDPR-SNVBAGLBSA-N 0 0 324.768 0.914 50 0 DCAARN CC[C@H](C(=O)NCCCOC)N1c2cc(C)nn2CCC1=O ZINC000020943534 182255778 /nfs/dbraw/zinc/25/57/78/182255778.db2.gz QPXKBUUANPHXDI-GFCCVEGCSA-N 0 0 308.382 0.860 50 0 DCAARN Cc1csc(CNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)n1 ZINC000021483323 182274945 /nfs/dbraw/zinc/27/49/45/182274945.db2.gz MLKZRGCXWFHXAQ-UHFFFAOYSA-N 0 0 308.363 0.386 50 0 DCAARN Cc1cccc(CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 ZINC000022090861 182308570 /nfs/dbraw/zinc/30/85/70/182308570.db2.gz PLUDNYGWQNDGBG-HOTGVXAUSA-N 0 0 324.446 0.271 50 0 DCAARN O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(=O)[nH]c1 ZINC000022283193 182316260 /nfs/dbraw/zinc/31/62/60/182316260.db2.gz XKGQMBXHONGZSR-UHFFFAOYSA-N 0 0 314.345 0.949 50 0 DCAARN CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2ccccn2)CC1 ZINC000022474433 182323023 /nfs/dbraw/zinc/32/30/23/182323023.db2.gz STEVMTPCKREQCK-LLVKDONJSA-N 0 0 305.334 0.318 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)NCCc1ccc2ccccc2n1 ZINC000097931197 193767210 /nfs/dbraw/zinc/76/72/10/193767210.db2.gz BEPIYEDVPVIFAX-ZDUSSCGKSA-N 0 0 312.329 0.492 50 0 DCAARN COCCNC(=O)CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000023256529 182354212 /nfs/dbraw/zinc/35/42/12/182354212.db2.gz QESPBLOBDNVIMU-MRXNPFEDSA-N 0 0 321.421 0.100 50 0 DCAARN O=C1C(=O)N(CN2CCOCC2)C(=O)N1Cc1ccccc1 ZINC000023381591 182359396 /nfs/dbraw/zinc/35/93/96/182359396.db2.gz OLUKSISPLOLBOO-UHFFFAOYSA-N 0 0 303.318 0.267 50 0 DCAARN Cc1occc1C(=O)NC[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000023620073 182364823 /nfs/dbraw/zinc/36/48/23/182364823.db2.gz SZFQAAAKMPTJSA-LBPRGKRZSA-N 0 0 316.361 0.938 50 0 DCAARN C[C@@H]1CN(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)CCO1 ZINC000024032345 182373157 /nfs/dbraw/zinc/37/31/57/182373157.db2.gz LAZSLQOMJISLSD-LLVKDONJSA-N 0 0 312.391 0.749 50 0 DCAARN CCN1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000025044449 182399639 /nfs/dbraw/zinc/39/96/39/182399639.db2.gz VQYOKYYPAHIHEV-UHFFFAOYSA-N 0 0 318.420 0.861 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)C(=O)c1ccc(C)cc1 ZINC000025028495 182399807 /nfs/dbraw/zinc/39/98/07/182399807.db2.gz PFDPRQIPURMCGQ-LBPRGKRZSA-N 0 0 318.329 0.068 50 0 DCAARN C[C@H](Nc1ccc2c(c1)NC(=O)CO2)C(=O)N1CCOCC1 ZINC000025672659 182420003 /nfs/dbraw/zinc/42/00/03/182420003.db2.gz YMTCPPGIBVDFIQ-JTQLQIEISA-N 0 0 305.334 0.677 50 0 DCAARN CC(=O)NCCNC(=O)c1ccc(OCc2noc(C)n2)cc1 ZINC000027671848 182487593 /nfs/dbraw/zinc/48/75/93/182487593.db2.gz DIYSHVGFLOLWDI-UHFFFAOYSA-N 0 0 318.333 0.823 50 0 DCAARN CCN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)Cc1ccco1 ZINC000030274957 182587394 /nfs/dbraw/zinc/58/73/94/182587394.db2.gz IODHJFICUJGFTG-AWEZNQCLSA-N 0 0 314.407 0.795 50 0 DCAARN COc1ccc(OC)c([C@H](O)CNC(=O)c2ccc[nH]c2=O)c1 ZINC000031333428 182611256 /nfs/dbraw/zinc/61/12/56/182611256.db2.gz IPHJWKTUZFLENY-CYBMUJFWSA-N 0 0 318.329 0.856 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000031398884 182613062 /nfs/dbraw/zinc/61/30/62/182613062.db2.gz KJFBTJQKGLIWCE-LLVKDONJSA-N 0 0 314.411 0.059 50 0 DCAARN CCN1C[C@H](C(=O)N2CCN(c3nccs3)CC2)CC1=O ZINC000032301029 182639697 /nfs/dbraw/zinc/63/96/97/182639697.db2.gz BTOAJRKUTNUGNK-LLVKDONJSA-N 0 0 308.407 0.660 50 0 DCAARN O=C(CNC(=O)C(=O)Nc1cccc2[nH]ccc21)N1CCCC1 ZINC000032101959 182635777 /nfs/dbraw/zinc/63/57/77/182635777.db2.gz VGYYKQJMEIXULV-UHFFFAOYSA-N 0 0 314.345 0.845 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCO2)s1 ZINC000032865713 182672794 /nfs/dbraw/zinc/67/27/94/182672794.db2.gz MEKPNTOWVFIJGT-SNVBAGLBSA-N 0 0 318.420 0.794 50 0 DCAARN CCCCn1c(N)c(N(C)C(=O)[C@H]2CCCO2)c(=O)[nH]c1=O ZINC000032988964 182686780 /nfs/dbraw/zinc/68/67/80/182686780.db2.gz LQDQFANXONPVFB-SECBINFHSA-N 0 0 310.354 0.061 50 0 DCAARN O=C(c1ccc2c(c1)OCC(=O)N2)N1CCC2(CC1)OCCO2 ZINC000024996190 296236183 /nfs/dbraw/zinc/23/61/83/296236183.db2.gz QQFHRPAAPMWDDX-UHFFFAOYSA-N 0 0 318.329 0.997 50 0 DCAARN CCN1CCN(CCOc2cccc(C(C)=O)c2)C(=O)C1=O ZINC000033359723 182706734 /nfs/dbraw/zinc/70/67/34/182706734.db2.gz YANRLCZVMDHOIV-UHFFFAOYSA-N 0 0 304.346 0.959 50 0 DCAARN CN1C2=C(C(=O)N(CCO)C2)[C@H](c2ccc(F)cc2)NC1=O ZINC000036678933 182834996 /nfs/dbraw/zinc/83/49/96/182834996.db2.gz NLPJKXMFYKOCRF-ZDUSSCGKSA-N 0 0 305.309 0.610 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(N)=O)CC2)cc1 ZINC000037190271 182871727 /nfs/dbraw/zinc/87/17/27/182871727.db2.gz SJDVVTXJJQBIHF-LBPRGKRZSA-N 0 0 311.407 0.175 50 0 DCAARN Cn1cc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)cn1 ZINC000039973430 183025635 /nfs/dbraw/zinc/02/56/35/183025635.db2.gz RDGSWMCDFUYONL-UHFFFAOYSA-N 0 0 321.406 0.322 50 0 DCAARN Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1cccc(O)c1 ZINC000040266808 183049512 /nfs/dbraw/zinc/04/95/12/183049512.db2.gz WKIDSYSRRFUJHY-UHFFFAOYSA-N 0 0 302.334 0.997 50 0 DCAARN COc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cn1 ZINC000040284436 183050332 /nfs/dbraw/zinc/05/03/32/183050332.db2.gz VPXJEVBLSQUKIU-UHFFFAOYSA-N 0 0 303.322 0.432 50 0 DCAARN CCOC(=O)N1CCN(CC(=O)NCCCOC(C)C)CC1 ZINC000040465750 183072489 /nfs/dbraw/zinc/07/24/89/183072489.db2.gz OJUDXGVBXWHKIK-UHFFFAOYSA-N 0 0 315.414 0.692 50 0 DCAARN Cc1nc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)cs1 ZINC000040477388 183074913 /nfs/dbraw/zinc/07/49/13/183074913.db2.gz HDOTXHSGZIKSPJ-UHFFFAOYSA-N 0 0 313.404 0.912 50 0 DCAARN O=C(NC[C@H]1CCCO1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000040480626 183076673 /nfs/dbraw/zinc/07/66/73/183076673.db2.gz VZORCFVLTOVOQC-ZIAGYGMSSA-N 0 0 301.350 0.752 50 0 DCAARN CC[C@@H]1CN(C(=O)CCn2nnc3ccccc3c2=O)CCO1 ZINC000040497524 183082026 /nfs/dbraw/zinc/08/20/26/183082026.db2.gz BMFDBVSKXJGPNO-GFCCVEGCSA-N 0 0 316.361 0.819 50 0 DCAARN Cc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)cnn1-c1ccccn1 ZINC000040508591 183085978 /nfs/dbraw/zinc/08/59/78/183085978.db2.gz MXBLRARWCWXKQI-NSHDSACASA-N 0 0 320.374 0.493 50 0 DCAARN CC(C)c1csc(NC(=O)Cn2ccc(=O)n(C)c2=O)n1 ZINC000040514033 183088645 /nfs/dbraw/zinc/08/86/45/183088645.db2.gz LLDNJTDZFHKOBR-UHFFFAOYSA-N 0 0 308.363 0.766 50 0 DCAARN O=C(Cn1ncc2ccccc2c1=O)N[C@H]1CCCCNC1=O ZINC000040521913 183090878 /nfs/dbraw/zinc/09/08/78/183090878.db2.gz WLUCYEYWHUYFAA-ZDUSSCGKSA-N 0 0 314.345 0.181 50 0 DCAARN Cn1cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000040528016 183093489 /nfs/dbraw/zinc/09/34/89/183093489.db2.gz JOGMRGBHJOEKIP-CQSZACIVSA-N 0 0 320.418 0.973 50 0 DCAARN CN(C1CCCCC1)S(=O)(=O)N[C@@H]1CCCCNC1=O ZINC000040527143 183093666 /nfs/dbraw/zinc/09/36/66/183093666.db2.gz UHFVCDWNDRDOCM-GFCCVEGCSA-N 0 0 303.428 0.754 50 0 DCAARN C[C@H](c1nc(C(C)(C)C)no1)S(=O)(=O)CC(=O)N(C)C ZINC000040528981 183093909 /nfs/dbraw/zinc/09/39/09/183093909.db2.gz MUWGRLFNTYTAAN-MRVPVSSYSA-N 0 0 303.384 0.931 50 0 DCAARN NC(=O)CS(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000040528839 183094187 /nfs/dbraw/zinc/09/41/87/183094187.db2.gz XFKPJPAUPKBSCO-UHFFFAOYSA-N 0 0 315.738 0.790 50 0 DCAARN CCNC(=O)NC(=O)CSc1nc2nc(C)c(C)c(C)n2n1 ZINC000040539706 183097356 /nfs/dbraw/zinc/09/73/56/183097356.db2.gz XJLTURUTSAEVDJ-UHFFFAOYSA-N 0 0 322.394 0.987 50 0 DCAARN CCN(C(=O)Cn1nc(-n2cncn2)ccc1=O)c1ccccc1 ZINC000040539773 183097458 /nfs/dbraw/zinc/09/74/58/183097458.db2.gz RIMZHCMVVKQOCQ-UHFFFAOYSA-N 0 0 324.344 0.877 50 0 DCAARN O=C(CCn1ncc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 ZINC000040757963 183129254 /nfs/dbraw/zinc/12/92/54/183129254.db2.gz MAPOUIOUPHJBSH-GFCCVEGCSA-N 0 0 307.375 0.730 50 0 DCAARN COc1cccc(CO[C@@H](C)C(=O)N2CC[C@@H](C(N)=O)C2)c1 ZINC000041126291 183168830 /nfs/dbraw/zinc/16/88/30/183168830.db2.gz ZGBCNWCHLIRICT-WCQYABFASA-N 0 0 306.362 0.934 50 0 DCAARN CCn1cnnc1CNC(=O)NC[C@@H](O)c1ccc(OC)cc1 ZINC000041451642 183192157 /nfs/dbraw/zinc/19/21/57/183192157.db2.gz SKSXSKVCNXUXQK-CYBMUJFWSA-N 0 0 319.365 0.839 50 0 DCAARN C[C@H](NC(=O)CCN1CCSC1=O)c1nnc2n1CCC2 ZINC000042536385 183281708 /nfs/dbraw/zinc/28/17/08/183281708.db2.gz VGUNFSXIYKEZIJ-VIFPVBQESA-N 0 0 309.395 0.960 50 0 DCAARN C[C@@H](OCCCNC(=O)C[C@H]1NC(=O)NC1=O)c1ccccc1 ZINC000042853185 183314367 /nfs/dbraw/zinc/31/43/67/183314367.db2.gz NETZVWBDINGHHT-DGCLKSJQSA-N 0 0 319.361 0.869 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)NCc2ccco2)C1 ZINC000042840193 183312748 /nfs/dbraw/zinc/31/27/48/183312748.db2.gz GPTJXFDTNVETCY-JTQLQIEISA-N 0 0 301.368 0.503 50 0 DCAARN CC(=O)N1CCC(NC(=O)c2cnn(C)c2-n2cccc2)CC1 ZINC000043076805 183334495 /nfs/dbraw/zinc/33/44/95/183334495.db2.gz NGXXAZSGJMTHLF-UHFFFAOYSA-N 0 0 315.377 0.952 50 0 DCAARN O=C(NCCN1CCOCC1)c1csc(-c2cnccn2)n1 ZINC000044123838 183395451 /nfs/dbraw/zinc/39/54/51/183395451.db2.gz YCQCMGFEMGEEIO-UHFFFAOYSA-N 0 0 319.390 0.662 50 0 DCAARN CN(C(=O)CSC1=NCCS1)[C@H]1CCS(=O)(=O)C1 ZINC000044865726 183443539 /nfs/dbraw/zinc/44/35/39/183443539.db2.gz WEIRDYWBTYJYKU-QMMMGPOBSA-N 0 0 308.450 0.468 50 0 DCAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)n(C)c(=O)c2c1 ZINC000045222112 183489769 /nfs/dbraw/zinc/48/97/69/183489769.db2.gz YVQXDIISNCIPQS-UHFFFAOYSA-N 0 0 311.363 0.257 50 0 DCAARN O=C(CCC(=O)N1CCNC(=O)C1)c1ccc2c(c1)OCCO2 ZINC000046867558 183571385 /nfs/dbraw/zinc/57/13/85/183571385.db2.gz XJUHGLYTKMNXMO-UHFFFAOYSA-N 0 0 318.329 0.379 50 0 DCAARN O=C(CCn1cncn1)Nc1cccc(N2CCNC2=O)c1 ZINC000047039950 183579839 /nfs/dbraw/zinc/57/98/39/183579839.db2.gz OIRJHCYGMXHGSY-UHFFFAOYSA-N 0 0 300.322 0.837 50 0 DCAARN O=C(NCc1nnc2n1CCC2)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000048287374 183638818 /nfs/dbraw/zinc/63/88/18/183638818.db2.gz AXXHVQDVNWYLJJ-SWLSCSKDSA-N 0 0 313.361 0.682 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000048313586 183643275 /nfs/dbraw/zinc/64/32/75/183643275.db2.gz GVOKITPAHBEVKO-AAEUAGOBSA-N 0 0 324.402 0.724 50 0 DCAARN CC(C)COc1ccc(C(=O)N2CCO[C@@H](C(N)=O)C2)cn1 ZINC000050845367 183805796 /nfs/dbraw/zinc/80/57/96/183805796.db2.gz UGOSWYKBXRCCKP-GFCCVEGCSA-N 0 0 307.350 0.443 50 0 DCAARN O=C(NCCN1CCOCC1)c1cc2ccccc2c(=O)[nH]1 ZINC000053275629 183896482 /nfs/dbraw/zinc/89/64/82/183896482.db2.gz OAQQBFFZZOSFNC-UHFFFAOYSA-N 0 0 301.346 0.590 50 0 DCAARN CN(CC(=O)NC(C)(C)C)C(=O)c1cccc(-n2cnnn2)c1 ZINC000053639115 183908514 /nfs/dbraw/zinc/90/85/14/183908514.db2.gz JDUCMXUBAUEOQL-UHFFFAOYSA-N 0 0 316.365 0.649 50 0 DCAARN Cn1cc(CCC(=O)N2CCC(N3CCNC3=O)CC2)cn1 ZINC000055786949 183996998 /nfs/dbraw/zinc/99/69/98/183996998.db2.gz XGDZPRBSVAJQKC-UHFFFAOYSA-N 0 0 305.382 0.369 50 0 DCAARN C[C@H](Nc1cccc(CN2CCOC2=O)c1)C(=O)NC(N)=O ZINC000056160932 184005900 /nfs/dbraw/zinc/00/59/00/184005900.db2.gz MNHXIWUXQDZCQY-VIFPVBQESA-N 0 0 306.322 0.634 50 0 DCAARN COc1ccccc1N1C[C@H](C(=O)NC(C)(C)C(N)=O)CC1=O ZINC000057050572 184025890 /nfs/dbraw/zinc/02/58/90/184025890.db2.gz NQYKAVYTROIOCS-SNVBAGLBSA-N 0 0 319.361 0.428 50 0 DCAARN Cc1nc(C)c(C(=O)NCCn2nc3ccccn3c2=O)s1 ZINC000057240254 184030639 /nfs/dbraw/zinc/03/06/39/184030639.db2.gz DLMIGQOXXOPCAO-UHFFFAOYSA-N 0 0 317.374 0.999 50 0 DCAARN O=C(CN1CSCC1=O)N1CCN(Cc2ccncc2)CC1 ZINC000057291289 184032230 /nfs/dbraw/zinc/03/22/30/184032230.db2.gz APEMKMNNNTZZAB-UHFFFAOYSA-N 0 0 320.418 0.259 50 0 DCAARN O=C(NCCCN1CCCC1=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000057003419 184024165 /nfs/dbraw/zinc/02/41/65/184024165.db2.gz KBAWTPWABDDYGH-GOEBONIOSA-N 0 0 317.389 0.956 50 0 DCAARN CN(C)C(=O)CNC(=O)CCN1c2ccccc2C(C)(C)C1=O ZINC000057355644 184035677 /nfs/dbraw/zinc/03/56/77/184035677.db2.gz BBUUJPDYPCBXSC-UHFFFAOYSA-N 0 0 317.389 0.905 50 0 DCAARN CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000058215962 184089208 /nfs/dbraw/zinc/08/92/08/184089208.db2.gz IEFDYUBWFWZEQZ-RYUDHWBXSA-N 0 0 320.411 0.417 50 0 DCAARN CNC(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000058162124 184082641 /nfs/dbraw/zinc/08/26/41/184082641.db2.gz CZCGLYNSBWGHSK-DGCLKSJQSA-N 0 0 305.378 0.903 50 0 DCAARN Cn1cc(S(=O)(=O)N[C@@](C)(C(N)=O)c2ccccc2)cn1 ZINC000058265990 184096555 /nfs/dbraw/zinc/09/65/55/184096555.db2.gz WFGMINUNNKHMER-CYBMUJFWSA-N 0 0 308.363 0.099 50 0 DCAARN C[C@H](NC(=O)CCc1ccccc1O)C(=O)N1CCOCC1 ZINC000058283839 184100130 /nfs/dbraw/zinc/10/01/30/184100130.db2.gz WWYCKYWZFFWLGI-LBPRGKRZSA-N 0 0 306.362 0.688 50 0 DCAARN CCCNC(=O)NC(=O)CNc1ccc(F)cc1OCCO ZINC000058291860 184101426 /nfs/dbraw/zinc/10/14/26/184101426.db2.gz BRJRQCQUDIPHJB-UHFFFAOYSA-N 0 0 313.329 0.845 50 0 DCAARN COc1ccc(CNC(=O)N[C@H]2CCC(=O)NC2)cc1OC ZINC000058315782 184104661 /nfs/dbraw/zinc/10/46/61/184104661.db2.gz UBAZESSHBMVAQI-NSHDSACASA-N 0 0 307.350 0.782 50 0 DCAARN COC[C@@H](C)N(C)S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000058326125 184105375 /nfs/dbraw/zinc/10/53/75/184105375.db2.gz JLVZVIHRNWXQBT-SNVBAGLBSA-N 0 0 311.367 0.318 50 0 DCAARN COCCCNC(=O)CN(C)C(=O)c1ccc(OC)cc1OC ZINC000058331559 184106434 /nfs/dbraw/zinc/10/64/34/184106434.db2.gz XDNUNQSQALQOIX-UHFFFAOYSA-N 0 0 324.377 0.929 50 0 DCAARN Cn1cc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)cn1 ZINC000061720451 184185404 /nfs/dbraw/zinc/18/54/04/184185404.db2.gz IRLCWHNTDYXULS-UHFFFAOYSA-N 0 0 301.350 0.884 50 0 DCAARN C[C@](O)(CCc1ccccc1)CNC(=O)CN1C(=O)CCC1=O ZINC000062021432 184201712 /nfs/dbraw/zinc/20/17/12/184201712.db2.gz WVIVMHYKLBGAPU-KRWDZBQOSA-N 0 0 318.373 0.635 50 0 DCAARN CCS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(F)cc2)C1 ZINC000064554355 184299443 /nfs/dbraw/zinc/29/94/43/184299443.db2.gz ZRYZTHIQADPEPN-GFCCVEGCSA-N 0 0 300.355 0.980 50 0 DCAARN CC[C@@H]1CN(C(=O)CN2CCC(N3CCNC3=O)CC2)CCO1 ZINC000064953460 184306981 /nfs/dbraw/zinc/30/69/81/184306981.db2.gz LYHDVMZQBGASPF-CQSZACIVSA-N 0 0 324.425 0.113 50 0 DCAARN CN1CCN(C(=O)c2ccc3c(c2)N(S(C)(=O)=O)CC3)CC1 ZINC000065210552 184314606 /nfs/dbraw/zinc/31/46/06/184314606.db2.gz PLBNJDZVMQYWPJ-UHFFFAOYSA-N 0 0 323.418 0.396 50 0 DCAARN Cc1nc2c(c(=O)n1C)CCN(C(=O)[C@@H](C)n1cccn1)CC2 ZINC000065371426 184330291 /nfs/dbraw/zinc/33/02/91/184330291.db2.gz AFGXOBLFCCUYQG-LLVKDONJSA-N 0 0 315.377 0.474 50 0 DCAARN Cn1cnnc1[C@@H]1CCCN(C(=O)NCCn2ccnc2)C1 ZINC000065449284 184346387 /nfs/dbraw/zinc/34/63/87/184346387.db2.gz AZMDZMQPAPBJNR-GFCCVEGCSA-N 0 0 303.370 0.601 50 0 DCAARN C[C@H]1CCCN(CCNC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000065452734 184347026 /nfs/dbraw/zinc/34/70/26/184347026.db2.gz DAGPKPPAOKQKHL-QWHCGFSZSA-N 0 0 317.455 0.547 50 0 DCAARN NC(=O)c1csc(N2CCN(Cc3cncnc3)CC2)n1 ZINC000065458426 184348490 /nfs/dbraw/zinc/34/84/90/184348490.db2.gz QYUOSWZXJAXBCH-UHFFFAOYSA-N 0 0 304.379 0.354 50 0 DCAARN CCO[C@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000065459384 184348525 /nfs/dbraw/zinc/34/85/25/184348525.db2.gz RDPUIYGLXSLXHD-BLLLJJGKSA-N 0 0 323.393 0.734 50 0 DCAARN COCC(=O)N1CCN(Cc2cn3c(n2)nc(C)cc3C)CC1 ZINC000065462356 184348884 /nfs/dbraw/zinc/34/88/84/184348884.db2.gz NQNWFTPXIWVFSW-UHFFFAOYSA-N 0 0 317.393 0.637 50 0 DCAARN CC(=O)N[C@@H]1CCCN(C(=O)NCc2cccnc2N(C)C)C1 ZINC000065554646 184365827 /nfs/dbraw/zinc/36/58/27/184365827.db2.gz FKULORPEZJONEK-CQSZACIVSA-N 0 0 319.409 0.958 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCc2cccnc2)C1 ZINC000065565420 184367239 /nfs/dbraw/zinc/36/72/39/184367239.db2.gz QHDKGQNHFZQFFU-GFCCVEGCSA-N 0 0 312.395 0.305 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)N[C@H](C)COc1ccc(C)cc1 ZINC000065608678 184372757 /nfs/dbraw/zinc/37/27/57/184372757.db2.gz FUJYGNYEJPYGOS-GFCCVEGCSA-N 0 0 321.377 0.131 50 0 DCAARN COC[C@H](O)CNc1nc(C)nc2c1CCN(C(C)=O)CC2 ZINC000065505848 184356914 /nfs/dbraw/zinc/35/69/14/184356914.db2.gz IUWXWIYMCRSXAN-GFCCVEGCSA-N 0 0 308.382 0.151 50 0 DCAARN COC[C@]1(C)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O ZINC000066083902 184387891 /nfs/dbraw/zinc/38/78/91/184387891.db2.gz DQIYKRIUIADHND-INIZCTEOSA-N 0 0 323.393 0.950 50 0 DCAARN COC(=O)CN(Cc1ccccc1Cl)C(=O)Cn1cnnn1 ZINC000069538422 184524656 /nfs/dbraw/zinc/52/46/56/184524656.db2.gz MPNYENUGEXBGOF-UHFFFAOYSA-N 0 0 323.740 0.528 50 0 DCAARN CC(=O)NC[C@@H]1CN(S(=O)(=O)CCC2CCCC2)CCO1 ZINC000333267467 252699522 /nfs/dbraw/zinc/69/95/22/252699522.db2.gz BXHBJVLTDLACQO-CQSZACIVSA-N 0 0 318.439 0.733 50 0 DCAARN Cc1cc(CNC(=O)Cc2nc3nc(C)cc(C)n3n2)on1 ZINC000338172699 252926906 /nfs/dbraw/zinc/92/69/06/252926906.db2.gz XAQUKCINSKYXAM-UHFFFAOYSA-N 0 0 300.322 0.896 50 0 DCAARN CCOc1cc(N2CCC(CNS(C)(=O)=O)CC2)ncn1 ZINC000286521515 219034834 /nfs/dbraw/zinc/03/48/34/219034834.db2.gz ZRNKCMVJCDEWDK-UHFFFAOYSA-N 0 0 314.411 0.641 50 0 DCAARN O=S(=O)(c1ccc(Cl)cc1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000004390090 304774232 /nfs/dbraw/zinc/77/42/32/304774232.db2.gz VIPUHMWJPZSJME-NXEZZACHSA-N 0 0 310.780 0.272 50 0 DCAARN CC1=C(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)CCCO1 ZINC000156236422 197097795 /nfs/dbraw/zinc/09/77/95/197097795.db2.gz FJERWHOVUCDQNI-AAEUAGOBSA-N 0 0 316.423 0.905 50 0 DCAARN CCN(CC(=O)NC(C)C)S(=O)(=O)N1CCCC[C@H]1C ZINC000252457235 256611063 /nfs/dbraw/zinc/61/10/63/256611063.db2.gz PTMPJLGDJFAHNN-GFCCVEGCSA-N 0 0 305.444 0.952 50 0 DCAARN COC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C ZINC000016839506 257217813 /nfs/dbraw/zinc/21/78/13/257217813.db2.gz KAZYSEDVNMUOQW-UHFFFAOYSA-N 0 0 312.351 0.269 50 0 DCAARN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)CN1CCNCC1=O ZINC000237736866 257238786 /nfs/dbraw/zinc/23/87/86/257238786.db2.gz FEOAEDKIFIFKAB-LBPRGKRZSA-N 0 0 303.362 0.541 50 0 DCAARN C[C@H]1C[C@@H]1C(=O)N1CC(CS(=O)(=O)NCc2ccco2)C1 ZINC000521398233 257240346 /nfs/dbraw/zinc/24/03/46/257240346.db2.gz DKCMREYGFHCFHL-GWCFXTLKSA-N 0 0 312.391 0.813 50 0 DCAARN O=C(NCCS(=O)(=O)N1CCCC1)c1cc(C(F)F)n[nH]1 ZINC000426719806 257243336 /nfs/dbraw/zinc/24/33/36/257243336.db2.gz FRTLUWLUKIALBI-UHFFFAOYSA-N 0 0 322.337 0.503 50 0 DCAARN Cc1nnc(CNC(=O)c2ccc3c(c2)N(C)C(=O)CO3)o1 ZINC000426580617 257246291 /nfs/dbraw/zinc/24/62/91/257246291.db2.gz ATELEUGKYHYPMS-UHFFFAOYSA-N 0 0 302.290 0.663 50 0 DCAARN CCCn1cnnc1CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000426538254 257246753 /nfs/dbraw/zinc/24/67/53/257246753.db2.gz BLTHKASXIJRLSO-SNVBAGLBSA-N 0 0 300.384 0.081 50 0 DCAARN O=C([C@@H]1CCS(=O)(=O)C1)N1CCc2[nH]nc(C3CC3)c2C1 ZINC000426555885 257247096 /nfs/dbraw/zinc/24/70/96/257247096.db2.gz JVKZWIMJWLLBQW-SNVBAGLBSA-N 0 0 309.391 0.607 50 0 DCAARN CCNC(=O)N1CCC(NC(=O)c2cc(=O)cc(C)[nH]2)CC1 ZINC000426546249 257247179 /nfs/dbraw/zinc/24/71/79/257247179.db2.gz STAQFSSJEGWORF-UHFFFAOYSA-N 0 0 306.366 0.607 50 0 DCAARN Cn1cncc1-c1cccc(C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000426544389 257247233 /nfs/dbraw/zinc/24/72/33/257247233.db2.gz NGFHPFIZKRLTJE-UHFFFAOYSA-N 0 0 319.386 0.958 50 0 DCAARN CN(C)C(=O)c1ccc(CNC(=O)CCc2ccnn2C)o1 ZINC000426518785 257247544 /nfs/dbraw/zinc/24/75/44/257247544.db2.gz LZIUZGJMTJMVSS-UHFFFAOYSA-N 0 0 304.350 0.964 50 0 DCAARN Cc1nn2c([n-]1)nc(CSc1nnc(C[NH3+])n1C)cc2=O ZINC000426526780 257248035 /nfs/dbraw/zinc/24/80/35/257248035.db2.gz CVMOPWPRWJZGGE-UHFFFAOYSA-N 0 0 306.355 0.018 50 0 DCAARN Cc1cc(=O)c(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)c(C)[nH]1 ZINC000426503526 257248395 /nfs/dbraw/zinc/24/83/95/257248395.db2.gz YTDZUASBQBOVPW-UHFFFAOYSA-N 0 0 314.345 0.550 50 0 DCAARN CN(CCc1cnn(C)c1)C(=O)NCCCN1CCCC1=O ZINC000426500063 257248684 /nfs/dbraw/zinc/24/86/84/257248684.db2.gz GUVBCBUKJWMTKO-UHFFFAOYSA-N 0 0 307.398 0.617 50 0 DCAARN COc1ncc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cn1 ZINC000426478685 257249362 /nfs/dbraw/zinc/24/93/62/257249362.db2.gz HFSAJXVTVGMTBF-LBPRGKRZSA-N 0 0 318.377 0.960 50 0 DCAARN Cc1ncsc1CCCNC(=O)N1CCS(=O)(=O)CC1 ZINC000426472743 257249609 /nfs/dbraw/zinc/24/96/09/257249609.db2.gz MHNRJQPMYCZRPC-UHFFFAOYSA-N 0 0 317.436 0.824 50 0 DCAARN Cc1nc2cc(C)ccn2c1C(=O)N[C@@H]1C[NH2+][C@H](C(=O)[O-])C1 ZINC000426425213 257250499 /nfs/dbraw/zinc/25/04/99/257250499.db2.gz JTARPDHYZFXICO-QWRGUYRKSA-N 0 0 302.334 0.496 50 0 DCAARN OCCNc1nc(NCC2CCOCC2)cc([C@H]2CCOC2)n1 ZINC000426412310 257251043 /nfs/dbraw/zinc/25/10/43/257251043.db2.gz AKQHOGCAIKIURI-ZDUSSCGKSA-N 0 0 322.409 0.067 50 0 DCAARN COCCc1noc([C@H](C)NC(=O)N(C)Cc2cc[nH]n2)n1 ZINC000426399154 257251635 /nfs/dbraw/zinc/25/16/35/257251635.db2.gz CMZHKNIBPABDOO-VIFPVBQESA-N 0 0 308.342 0.884 50 0 DCAARN CN(Cc1cnc2ccccn12)Cc1cc(=O)n2[nH]cnc2n1 ZINC000334159653 257261857 /nfs/dbraw/zinc/26/18/57/257261857.db2.gz KAXGDLIXYSDZSW-UHFFFAOYSA-N 0 0 309.333 0.697 50 0 DCAARN O=C(CSc1nc(=O)ccn1C1CC1)NC[C@H]1CCCO1 ZINC000069657274 184833323 /nfs/dbraw/zinc/83/33/23/184833323.db2.gz ZACCTBNFUKRPJU-LLVKDONJSA-N 0 0 309.391 0.966 50 0 DCAARN C[C@H]1CC(=O)NCCN1c1ccc2nnc(C(F)(F)F)n2n1 ZINC000071889459 184889882 /nfs/dbraw/zinc/88/98/82/184889882.db2.gz KBOGFHGADXMIQD-ZETCQYMHSA-N 0 0 314.271 0.858 50 0 DCAARN COC[C@@H](NC(=O)N1CCN(c2cnn(C)c2)CC1)C1CC1 ZINC000126787339 195846867 /nfs/dbraw/zinc/84/68/67/195846867.db2.gz OUADJPAHESBCRE-CQSZACIVSA-N 0 0 307.398 0.677 50 0 DCAARN COC(=O)C[C@@H]1CN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CCO1 ZINC000408524802 533648177 /nfs/dbraw/zinc/64/81/77/533648177.db2.gz ZLCKCUPZTOSEGQ-RFQIPJPRSA-N 0 0 310.394 0.698 50 0 DCAARN COc1ccc(C)cc1S(=O)(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000284886712 131119426 /nfs/dbraw/zinc/11/94/26/131119426.db2.gz ZSRPHYLWYFRPBP-GHMZBOCLSA-N 0 0 312.391 0.746 50 0 DCAARN COc1ccc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)c(C)c1 ZINC000285028417 131132944 /nfs/dbraw/zinc/13/29/44/131132944.db2.gz NEGDYIMOMVUKGA-KOLCDFICSA-N 0 0 316.354 0.590 50 0 DCAARN C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCCO1 ZINC000026402466 134665164 /nfs/dbraw/zinc/66/51/64/134665164.db2.gz CXGJYSIZXLITIU-QWHCGFSZSA-N 0 0 305.382 0.876 50 0 DCAARN Cn1ncc2c1ncnc2N1CCN(C(=O)c2ccccn2)CC1 ZINC000029080667 134672365 /nfs/dbraw/zinc/67/23/65/134672365.db2.gz JIFQQWKAVVYJML-UHFFFAOYSA-N 0 0 323.360 0.721 50 0 DCAARN O=C(NC[C@@H]1CCOC1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000047067727 134747783 /nfs/dbraw/zinc/74/77/83/134747783.db2.gz QJKQLOCKBRRYSA-QWHCGFSZSA-N 0 0 305.382 0.781 50 0 DCAARN CCNC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000008326572 395684428 /nfs/dbraw/zinc/68/44/28/395684428.db2.gz HGSHWKYQLQJKJB-UHFFFAOYSA-N 0 0 303.409 0.784 50 0 DCAARN CCOC(=O)c1ccc(NC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 ZINC000008599747 395684764 /nfs/dbraw/zinc/68/47/64/395684764.db2.gz GJWFJKBAPDTHOI-UHFFFAOYSA-N 0 0 318.289 0.884 50 0 DCAARN Cc1ccc(-n2nc(C(=O)NC(C)C)c(=O)n(C)c2=O)cc1 ZINC000008610925 395684788 /nfs/dbraw/zinc/68/47/88/395684788.db2.gz MLQBETSNQCSHHV-UHFFFAOYSA-N 0 0 302.334 0.378 50 0 DCAARN COC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)N1CCOCC1 ZINC000008916118 395684998 /nfs/dbraw/zinc/68/49/98/395684998.db2.gz IHBTVGPIWADMNY-LBPRGKRZSA-N 0 0 314.382 0.329 50 0 DCAARN CCOC(=O)C(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OC ZINC000008990198 395685068 /nfs/dbraw/zinc/68/50/68/395685068.db2.gz QLAPQCMTELUPMS-UHFFFAOYSA-N 0 0 314.319 0.444 50 0 DCAARN COc1ccc([C@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)c(OC)c1 ZINC000009331224 395685316 /nfs/dbraw/zinc/68/53/16/395685316.db2.gz HFKLELCCWQFYNW-SECBINFHSA-N 0 0 316.317 0.843 50 0 DCAARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)OCc1nc(N)nc(N)n1 ZINC000010955431 395686254 /nfs/dbraw/zinc/68/62/54/395686254.db2.gz XAQXGSBDKWGTCX-CPCISQLKSA-N 0 0 317.305 0.308 50 0 DCAARN CS(=O)(=O)c1ccc(NC(=O)CSc2nc[nH]n2)cc1 ZINC000011357925 395686473 /nfs/dbraw/zinc/68/64/73/395686473.db2.gz DTMIHQLOVYDHKE-UHFFFAOYSA-N 0 0 312.376 0.939 50 0 DCAARN CNC(=O)Cn1nc(C)c2cnn(-c3ccccc3C)c2c1=O ZINC000012228617 395687269 /nfs/dbraw/zinc/68/72/69/395687269.db2.gz BCQSKXOYMDDIBA-UHFFFAOYSA-N 0 0 311.345 0.945 50 0 DCAARN COCCN1CC2=C(C1=O)[C@@H](c1ccccc1F)NC(=O)N2 ZINC000012346628 395687483 /nfs/dbraw/zinc/68/74/83/395687483.db2.gz UHQZTBOAIWGFNU-CYBMUJFWSA-N 0 0 305.309 0.922 50 0 DCAARN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccco1 ZINC000012454969 395687746 /nfs/dbraw/zinc/68/77/46/395687746.db2.gz XCMIMRIMWQMLRQ-UHFFFAOYSA-N 0 0 313.313 0.989 50 0 DCAARN Cc1ccc(O[C@@H](C)C(=O)NCCNS(C)(=O)=O)cc1 ZINC000012913020 395688106 /nfs/dbraw/zinc/68/81/06/395688106.db2.gz CCCRWKFUJSPKIP-NSHDSACASA-N 0 0 300.380 0.428 50 0 DCAARN CCOC(=O)N1CCC(NC(=O)[C@H](NC(C)=O)C(C)C)CC1 ZINC000012942419 395688353 /nfs/dbraw/zinc/68/83/53/395688353.db2.gz CFGWWQXWBNUBST-CYBMUJFWSA-N 0 0 313.398 0.884 50 0 DCAARN CCn1nnc2c1ncn(CC(=O)N(C(C)C)C(C)C)c2=O ZINC000013531545 395688514 /nfs/dbraw/zinc/68/85/14/395688514.db2.gz MQHXMPYBRAPHOV-UHFFFAOYSA-N 0 0 306.370 0.653 50 0 DCAARN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(N)=O)C1 ZINC000013580491 395688634 /nfs/dbraw/zinc/68/86/34/395688634.db2.gz WXMHQDGZKUOCQJ-VIFPVBQESA-N 0 0 316.354 0.720 50 0 DCAARN CCCC(=O)N1CCN(c2ncnc3c2nnn3CC)CC1 ZINC000013532950 395688648 /nfs/dbraw/zinc/68/86/48/395688648.db2.gz IUUMFOWTMPKKLF-UHFFFAOYSA-N 0 0 303.370 0.690 50 0 DCAARN CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn32)cc1 ZINC000013721597 395689026 /nfs/dbraw/zinc/68/90/26/395689026.db2.gz SUGKGNFTALIJMH-LLVKDONJSA-N 0 0 314.305 0.759 50 0 DCAARN CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1ccccc1 ZINC000014135260 395689178 /nfs/dbraw/zinc/68/91/78/395689178.db2.gz KNAREDIOMCNMTC-UHFFFAOYSA-N 0 0 310.297 0.986 50 0 DCAARN C[C@]1(C2CC2)NC(=O)N(Cn2nnc3ccccc3c2=O)C1=O ZINC000014186374 395689401 /nfs/dbraw/zinc/68/94/01/395689401.db2.gz YRRHSOAFYMYNMZ-OAHLLOKOSA-N 0 0 313.317 0.470 50 0 DCAARN CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000016622332 395690593 /nfs/dbraw/zinc/69/05/93/395690593.db2.gz CORXHTSVMCRGNS-UHFFFAOYSA-N 0 0 302.327 0.206 50 0 DCAARN OCCN1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000023053344 395692224 /nfs/dbraw/zinc/69/22/24/395692224.db2.gz QWBPELPSLADVMZ-UHFFFAOYSA-N 0 0 316.287 0.257 50 0 DCAARN Cc1cccc(NC(=O)CSc2nnc3n(N)cnn23)n1 ZINC000000053486 395679626 /nfs/dbraw/zinc/67/96/26/395679626.db2.gz ZCAQIRPOQPHLHE-UHFFFAOYSA-N 0 0 304.339 0.074 50 0 DCAARN CCc1ccc(NC(=O)CSc2nnc3n(N)cnn23)cc1 ZINC000000052020 395679648 /nfs/dbraw/zinc/67/96/48/395679648.db2.gz SRZRKZLHNOAISE-UHFFFAOYSA-N 0 0 317.378 0.933 50 0 DCAARN CC[C@@H]1C(=O)N=C(SCC(=O)NCc2ccco2)NC1=O ZINC000000033334 395679729 /nfs/dbraw/zinc/67/97/29/395679729.db2.gz DTKUWIAUENPXJE-UHFFFAOYSA-N 0 0 309.347 0.668 50 0 DCAARN Cn1c(Sc2ccccc2N)nc2c1c(=O)n(C)c(=O)n2C ZINC000000156726 395680007 /nfs/dbraw/zinc/68/00/07/395680007.db2.gz WYFHNJFVSDEZBE-UHFFFAOYSA-N 0 0 317.374 0.704 50 0 biogenic DCAARN COc1ccc(C(=O)Oc2cc(N)n(S(C)(=O)=O)n2)cc1 ZINC000000211173 395680050 /nfs/dbraw/zinc/68/00/50/395680050.db2.gz ZVVBRMYTTCIGOK-UHFFFAOYSA-N 0 0 311.319 0.501 50 0 DCAARN COC(=O)c1nnn(CC(=O)Nc2c(C)cccc2C)c1N ZINC000000248594 395680071 /nfs/dbraw/zinc/68/00/71/395680071.db2.gz MJLHARGMEHPVOM-UHFFFAOYSA-N 0 0 303.322 0.902 50 0 DCAARN Cn1c2nc(NCc3ccccc3)n(CCO)c2c(=O)[nH]c1=O ZINC000000541477 395680526 /nfs/dbraw/zinc/68/05/26/395680526.db2.gz VNHGXVMZTXWCMD-UHFFFAOYSA-N 0 0 315.333 0.028 50 0 DCAARN O=C1NC[C@H](COc2ccc(OC[C@H]3CNC(=O)O3)cc2)O1 ZINC000000552806 395680603 /nfs/dbraw/zinc/68/06/03/395680603.db2.gz JXSJXWVGTDQKEF-VXGBXAGGSA-N 0 0 308.290 0.661 50 0 DCAARN Cc1nnc(SCCCCSc2nnc(C)n2N)n1N ZINC000001778942 395681188 /nfs/dbraw/zinc/68/11/88/395681188.db2.gz ATJUWRVXPQVXJE-UHFFFAOYSA-N 0 0 314.444 0.579 50 0 DCAARN COCCn1c(N2CCC[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000001863045 395681240 /nfs/dbraw/zinc/68/12/40/395681240.db2.gz XBMHTMUTTNWHGK-SNVBAGLBSA-N 0 0 321.381 0.306 50 0 DCAARN Cc1nc2sc3c(c2c2nc(C(=O)NCCO)nn21)CCC3 ZINC000002232936 395681385 /nfs/dbraw/zinc/68/13/85/395681385.db2.gz AHOWBYLQBAXJOA-UHFFFAOYSA-N 0 0 317.374 0.858 50 0 DCAARN NC(=O)COC(=O)c1ccc(I)cc1 ZINC000002622741 395681729 /nfs/dbraw/zinc/68/17/29/395681729.db2.gz FUBWWMIIKFDGQL-UHFFFAOYSA-N 0 0 305.071 0.933 50 0 DCAARN COc1ccc(/C=C/C(=O)NN2CCN(C)CC2)cc1OC ZINC000002755466 395681846 /nfs/dbraw/zinc/68/18/46/395681846.db2.gz AKUJTGQYQLBWJR-FNORWQNLSA-N 0 0 305.378 0.996 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCO)cc1 ZINC000002873135 395681954 /nfs/dbraw/zinc/68/19/54/395681954.db2.gz UYCJMUIJUXTCGE-ZDUSSCGKSA-N 0 0 312.391 0.257 50 0 DCAARN NC(=O)Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21 ZINC000002880111 395682053 /nfs/dbraw/zinc/68/20/53/395682053.db2.gz QLASOUXLFDIEGX-UHFFFAOYSA-N 0 0 315.329 0.168 50 0 DCAARN CN(C)c1nc(N(C)C)n(S(=O)(=O)c2ccc(F)cc2)n1 ZINC000003104983 395682260 /nfs/dbraw/zinc/68/22/60/395682260.db2.gz ZMPYAJJCEKOLOI-UHFFFAOYSA-N 0 0 313.358 0.786 50 0 DCAARN COc1ccccc1CNC(=O)COC(=O)c1cnccn1 ZINC000003235121 395682378 /nfs/dbraw/zinc/68/23/78/395682378.db2.gz RIEDAUIACYAOSU-UHFFFAOYSA-N 0 0 301.302 0.958 50 0 DCAARN COC[C@H](C)NC(=O)CSc1nc2nc(C)cc(C)n2n1 ZINC000003397640 395682403 /nfs/dbraw/zinc/68/24/03/395682403.db2.gz GPRWVKJUMXJYAR-VIFPVBQESA-N 0 0 309.395 0.984 50 0 DCAARN COc1cccc(NC(=O)CSc2nnc(C)c(=O)n2N)c1 ZINC000003242823 395682404 /nfs/dbraw/zinc/68/24/04/395682404.db2.gz DZDNDIPDGLJZIP-UHFFFAOYSA-N 0 0 321.362 0.400 50 0 DCAARN Cc1ccc(C(=O)NC2CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000003214317 395682431 /nfs/dbraw/zinc/68/24/31/395682431.db2.gz XZUBUJRYDGGGSM-UHFFFAOYSA-N 0 0 324.402 0.908 50 0 DCAARN CN1C2=C(C(=O)N(CCCO)C2)[C@@H](c2ccc(O)cc2)NC1=O ZINC000004623972 395682565 /nfs/dbraw/zinc/68/25/65/395682565.db2.gz CPSIPBYYQQHETH-CQSZACIVSA-N 0 0 317.345 0.567 50 0 DCAARN Cc1cccc(C)c1NC(=O)CN(C)CC(=O)N1CCNC1=O ZINC000008092644 395684024 /nfs/dbraw/zinc/68/40/24/395684024.db2.gz YAOIHHHBFONINF-UHFFFAOYSA-N 0 0 318.377 0.726 50 0 DCAARN O=C(N[C@@H]1C[C@@H](O)[C@H](CO)C1)c1cnn(-c2ccccc2)n1 ZINC000085468366 395701253 /nfs/dbraw/zinc/70/12/53/395701253.db2.gz UTBHQPHOOOQLMH-COPLHBTASA-N 0 0 302.334 0.129 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2nnn(-c3cccs3)c2=O)C[C@@H](C)O1 ZINC000029974270 395701411 /nfs/dbraw/zinc/70/14/11/395701411.db2.gz VNRXHPZWXAQTJB-NXEZZACHSA-N 0 0 323.378 0.126 50 0 DCAARN CCCn1c(N)c(C(=O)CN2CCC[C@@H](CC)C2)c(=O)[nH]c1=O ZINC000030142847 395701924 /nfs/dbraw/zinc/70/19/24/395701924.db2.gz KRZBKCXAMDTACM-LLVKDONJSA-N 0 0 322.409 0.834 50 0 DCAARN CS(=O)(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000030381950 395702488 /nfs/dbraw/zinc/70/24/88/395702488.db2.gz WTDRYWUNTPDPRZ-UHFFFAOYSA-N 0 0 320.212 0.926 50 0 DCAARN Cc1nc(CN2C(=O)N(CC(N)=O)C(C)(C)C2=O)sc1C ZINC000088520942 395707477 /nfs/dbraw/zinc/70/74/77/395707477.db2.gz NEOMFVOWBOMZCC-UHFFFAOYSA-N 0 0 310.379 0.788 50 0 DCAARN CNS(=O)(=O)c1cccc(CNC(=O)c2ccccn2)c1 ZINC000031749222 395708006 /nfs/dbraw/zinc/70/80/06/395708006.db2.gz KIXUPBFINVATHG-UHFFFAOYSA-N 0 0 305.359 0.920 50 0 DCAARN CCn1nc(C(=O)N[C@H]2CCCC[C@H]2C(=O)NC)ccc1=O ZINC000089300115 395709830 /nfs/dbraw/zinc/70/98/30/395709830.db2.gz SQRZSPGITVJNDE-MNOVXSKESA-N 0 0 306.366 0.298 50 0 DCAARN CS(=O)(=O)N1C[C@@H](C(=O)N2CCCC2)Oc2ccccc21 ZINC000032497790 395711014 /nfs/dbraw/zinc/71/10/14/395711014.db2.gz ZNOOOXUEPLEADF-ZDUSSCGKSA-N 0 0 310.375 0.836 50 0 DCAARN Cc1nc(CCNC(=O)Cn2cnc3ccccc32)cc(=O)[nH]1 ZINC000032561881 395711489 /nfs/dbraw/zinc/71/14/89/395711489.db2.gz QQKPDTGYVOQPMH-UHFFFAOYSA-N 0 0 311.345 0.787 50 0 DCAARN COc1ccc(-n2ccc(CNC(=O)[C@H]3CNC(=O)N3)n2)cc1 ZINC000089455545 395711958 /nfs/dbraw/zinc/71/19/58/395711958.db2.gz ZQXAWRIZTLTRMU-CYBMUJFWSA-N 0 0 315.333 0.179 50 0 DCAARN CS(=O)(=O)c1ccc(CNC(=O)NCc2cc[nH]n2)cc1 ZINC000089490072 395712535 /nfs/dbraw/zinc/71/25/35/395712535.db2.gz JMKBWQKCGLSZGV-UHFFFAOYSA-N 0 0 308.363 0.813 50 0 DCAARN CCNC(=O)NC(=O)Cn1cnc2sc(CC)cc2c1=O ZINC000032747069 395712941 /nfs/dbraw/zinc/71/29/41/395712941.db2.gz OVPJFKGATIQIBL-UHFFFAOYSA-N 0 0 308.363 0.866 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)Cc2ccccc2F)CC1 ZINC000032770978 395713387 /nfs/dbraw/zinc/71/33/87/395713387.db2.gz SLVHHZKVCWVKJM-UHFFFAOYSA-N 0 0 314.382 0.908 50 0 DCAARN CC[C@H](Oc1ccccc1)C(=O)NC1CCN(CC(N)=O)CC1 ZINC000032908372 395714078 /nfs/dbraw/zinc/71/40/78/395714078.db2.gz IBCFMLPTIIDXQC-HNNXBMFYSA-N 0 0 319.405 0.910 50 0 DCAARN Cc1nsc(N2CCN(CCCS(C)(=O)=O)CC2)n1 ZINC000089721384 395714451 /nfs/dbraw/zinc/71/44/51/395714451.db2.gz HFPFSGUHJLYDAO-UHFFFAOYSA-N 0 0 304.441 0.403 50 0 DCAARN O=C([C@H]1CNC(=O)N1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000089800407 395715409 /nfs/dbraw/zinc/71/54/09/395715409.db2.gz BYNDYWUNZFANTP-NEPJUHHUSA-N 0 0 317.345 0.803 50 0 DCAARN C=CC(=O)NCCC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000089893914 395715795 /nfs/dbraw/zinc/71/57/95/395715795.db2.gz LQEUMCHDDCQPFY-UHFFFAOYSA-N 0 0 306.318 0.603 50 0 DCAARN C[C@@H]1COCCN1C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000033050194 395715924 /nfs/dbraw/zinc/71/59/24/395715924.db2.gz VFUKSUSNHFPGOJ-LLVKDONJSA-N 0 0 324.402 0.870 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000089904349 395716274 /nfs/dbraw/zinc/71/62/74/395716274.db2.gz UTWSKGHKTOJRFQ-QWHCGFSZSA-N 0 0 317.397 0.989 50 0 DCAARN CCOCCN1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000033869622 395717668 /nfs/dbraw/zinc/71/76/68/395717668.db2.gz BCQSZAQVKAACRG-UHFFFAOYSA-N 0 0 317.411 0.634 50 0 DCAARN CCOCCCNC(=O)Cn1c(C)nc2onc(C)c2c1=O ZINC000035507475 395720915 /nfs/dbraw/zinc/72/09/15/395720915.db2.gz PJLXLXDPBNQHPO-UHFFFAOYSA-N 0 0 308.338 0.544 50 0 DCAARN O=C(c1csc(S(=O)(=O)NC2CC2)c1)N1CCOCC1 ZINC000035405398 395720932 /nfs/dbraw/zinc/72/09/32/395720932.db2.gz GYHPJVLWGGFGOI-UHFFFAOYSA-N 0 0 316.404 0.661 50 0 DCAARN CC[C@@H](C)NC(=O)c1cc(C)nc2c1c(=O)n(C)c(=O)n2C ZINC000035505503 395720947 /nfs/dbraw/zinc/72/09/47/395720947.db2.gz MKGLHIPURREDGR-MRVPVSSYSA-N 0 0 304.350 0.469 50 0 DCAARN O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NC1CC1 ZINC000035800968 395721746 /nfs/dbraw/zinc/72/17/46/395721746.db2.gz YDYUMJNJCDYIMK-UHFFFAOYSA-N 0 0 323.418 0.272 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(N2CCCC2=O)c1 ZINC000036140877 395722264 /nfs/dbraw/zinc/72/22/64/395722264.db2.gz CAIUFVACPINQAJ-LBPRGKRZSA-N 0 0 322.386 0.730 50 0 DCAARN COc1cccc(N2CCN(CCN3C(=O)CCC3=O)CC2)c1 ZINC000026921193 395694694 /nfs/dbraw/zinc/69/46/94/395694694.db2.gz GYHKVOJIUUDHCF-UHFFFAOYSA-N 0 0 317.389 0.966 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N1CCN(c2cnccn2)CC1 ZINC000028057549 395695625 /nfs/dbraw/zinc/69/56/25/395695625.db2.gz GNLRURADLQYJGI-UHFFFAOYSA-N 0 0 323.378 0.592 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000029207503 395697661 /nfs/dbraw/zinc/69/76/61/395697661.db2.gz LGYRDWHXSCYSSQ-GFCCVEGCSA-N 0 0 312.391 0.606 50 0 DCAARN C[C@@H](C(=O)NC1CC1)N1CCN(Cc2nc(C3CC3)no2)CC1 ZINC000029436012 395698183 /nfs/dbraw/zinc/69/81/83/395698183.db2.gz JZAAMFZRJUZOGD-NSHDSACASA-N 0 0 319.409 0.732 50 0 DCAARN CCCC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000038530493 395732289 /nfs/dbraw/zinc/73/22/89/395732289.db2.gz JDCPJUUYEKEJRG-UHFFFAOYSA-N 0 0 319.409 0.762 50 0 DCAARN Cn1cnc(S(=O)(=O)N[C@H]2CCCCNC2=O)c1Cl ZINC000037989550 395730627 /nfs/dbraw/zinc/73/06/27/395730627.db2.gz KVMDRMFAMCZVME-ZETCQYMHSA-N 0 0 306.775 0.021 50 0 DCAARN CN1N=C(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CCC1=O ZINC000040553750 395734126 /nfs/dbraw/zinc/73/41/26/395734126.db2.gz CYZPPWSXCCFBKA-NSHDSACASA-N 0 0 316.365 0.170 50 0 DCAARN CCN(CC)S(=O)(=O)N1CCN(Cc2ccco2)CC1 ZINC000040488038 395734212 /nfs/dbraw/zinc/73/42/12/395734212.db2.gz KWLQLEGRNZVJPH-UHFFFAOYSA-N 0 0 301.412 0.984 50 0 DCAARN C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1CCCO1 ZINC000041375230 395736724 /nfs/dbraw/zinc/73/67/24/395736724.db2.gz OKZJDZDJIDLRKA-MNOVXSKESA-N 0 0 307.416 0.135 50 0 DCAARN CN(CCNC(=O)Nc1cccnc1Cl)S(C)(=O)=O ZINC000095526096 395740798 /nfs/dbraw/zinc/74/07/98/395740798.db2.gz LAKJDHKZTPKXAX-UHFFFAOYSA-N 0 0 306.775 0.748 50 0 DCAARN O=S(=O)(C[C@H]1CCCO1)N[C@H]1CCCCC12OCCO2 ZINC000095443796 395741028 /nfs/dbraw/zinc/74/10/28/395741028.db2.gz QYPYZQBWOVVSMV-NEPJUHHUSA-N 0 0 305.396 0.771 50 0 DCAARN CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000096098098 395744445 /nfs/dbraw/zinc/74/44/45/395744445.db2.gz FASMELSREJVDIW-GFCCVEGCSA-N 0 0 321.395 0.774 50 0 DCAARN CC(=O)N1C[C@H]2C[N@H+](Cc3nccnc3C)C[C@@]2(C(=O)[O-])C1 ZINC000096140346 395746284 /nfs/dbraw/zinc/74/62/84/395746284.db2.gz QWWMQAFJGWFVJA-IUODEOHRSA-N 0 0 304.350 0.150 50 0 DCAARN CCC(=O)N1CCN(c2nc3cccnc3n(CC)c2=O)CC1 ZINC000096332982 395752290 /nfs/dbraw/zinc/75/22/90/395752290.db2.gz RGBHGEWUOPPWMK-UHFFFAOYSA-N 0 0 315.377 0.870 50 0 DCAARN Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000096365200 395752778 /nfs/dbraw/zinc/75/27/78/395752778.db2.gz ZQXOCWPUYBSRML-NSHDSACASA-N 0 0 321.395 0.942 50 0 DCAARN CN1C[C@@H](NC(=O)Nc2ccn(CC(F)F)n2)CCC1=O ZINC000096452287 395753783 /nfs/dbraw/zinc/75/37/83/395753783.db2.gz BPNQZHWJUDTNFJ-QMMMGPOBSA-N 0 0 301.297 0.891 50 0 DCAARN CC(=O)N[C@H]1CCCN(C(=O)Cn2cc(-n3cccc3)cn2)C1 ZINC000096475811 395753834 /nfs/dbraw/zinc/75/38/34/395753834.db2.gz QSNPIWKZODBITP-AWEZNQCLSA-N 0 0 315.377 0.801 50 0 DCAARN CC(C)NS(=O)(=O)c1cccc(C(=O)NCCCO)c1 ZINC000097176618 395755316 /nfs/dbraw/zinc/75/53/16/395755316.db2.gz GDLPRCJGGOTWND-UHFFFAOYSA-N 0 0 300.380 0.486 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)CO)c(C)c1 ZINC000097203026 395756055 /nfs/dbraw/zinc/75/60/55/395756055.db2.gz OFFLPZHRUFNHNZ-LBPRGKRZSA-N 0 0 314.407 0.469 50 0 DCAARN CN(CC(=O)Nc1cccnc1N1CCCC1)S(C)(=O)=O ZINC000044542394 395756801 /nfs/dbraw/zinc/75/68/01/395756801.db2.gz YMXCITGJXUXENS-UHFFFAOYSA-N 0 0 312.395 0.512 50 0 DCAARN C[C@@H](CO)NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000097403887 395757658 /nfs/dbraw/zinc/75/76/58/395757658.db2.gz MOQOETYLXARXOJ-JTQLQIEISA-N 0 0 307.325 0.801 50 0 DCAARN O=C([C@@H]1CCCCC(=O)N1)N1CCN(c2nccs2)CC1 ZINC000193737749 304314955 /nfs/dbraw/zinc/31/49/55/304314955.db2.gz JPLXGUIFWRMWPR-NSHDSACASA-N 0 0 308.407 0.851 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)c1cc(Cl)ccc1O ZINC000044706235 395757923 /nfs/dbraw/zinc/75/79/23/395757923.db2.gz GUBLTKZJPZUSIG-UHFFFAOYSA-N 0 0 306.771 0.715 50 0 DCAARN COc1cccc(/C=C\C(=O)N2CCCN(CC(N)=O)CC2)c1 ZINC000096258923 395751867 /nfs/dbraw/zinc/75/18/67/395751867.db2.gz NTSLJYLPLQDUQM-SREVYHEPSA-N 0 0 317.389 0.728 50 0 DCAARN C[C@H](NC(=O)N1CCN(Cc2ccco2)CC1)c1nncn1C ZINC000046963833 395783538 /nfs/dbraw/zinc/78/35/38/395783538.db2.gz KSKUXOFWYAHQAQ-LBPRGKRZSA-N 0 0 318.381 0.997 50 0 DCAARN CC(=O)N1C[C@H]2CC[C@H](CN2C(=O)CCc2cnn(C)c2)C1 ZINC000097602238 395759239 /nfs/dbraw/zinc/75/92/39/395759239.db2.gz OMZJBSGOXIVRHY-LSDHHAIUSA-N 0 0 304.394 0.822 50 0 DCAARN O=C(Cc1cnc[nH]1)N1CCN(Cc2ccco2)C[C@H](O)C1 ZINC000097601056 395759292 /nfs/dbraw/zinc/75/92/92/395759292.db2.gz HYXNOBHKYXKZLZ-ZDUSSCGKSA-N 0 0 304.350 0.251 50 0 DCAARN Cn1c2ccccc2nc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1=O ZINC000097698922 395760294 /nfs/dbraw/zinc/76/02/94/395760294.db2.gz PBTZTDMXMHVOAD-SNVBAGLBSA-N 0 0 314.345 0.271 50 0 DCAARN CC[C@@H](CO)NC(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000044946585 395760402 /nfs/dbraw/zinc/76/04/02/395760402.db2.gz ILGYSNSKARWARD-OCCSQVGLSA-N 0 0 322.409 0.877 50 0 DCAARN Cn1cc(Cl)c(C(=O)NCCNC(=O)c2cccnc2)n1 ZINC000097730260 395760563 /nfs/dbraw/zinc/76/05/63/395760563.db2.gz PQJJGQDAWDHJKV-UHFFFAOYSA-N 0 0 307.741 0.628 50 0 DCAARN Cc1nn(C)c2nc(C)cc(C(=O)N[C@H]3CCCCNC3=O)c12 ZINC000047212401 395788923 /nfs/dbraw/zinc/78/89/23/395788923.db2.gz AKZMJLFHQSVIPS-LBPRGKRZSA-N 0 0 315.377 0.984 50 0 DCAARN C[C@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@@H](C)CO1 ZINC000045449472 395763276 /nfs/dbraw/zinc/76/32/76/395763276.db2.gz CPTFJGHSWXNMFS-QWRGUYRKSA-N 0 0 304.412 0.294 50 0 DCAARN CCC[C@]1(CO)CCCN(C(=O)c2c[nH]c3ncnn3c2=O)C1 ZINC000102412845 395769973 /nfs/dbraw/zinc/76/99/73/395769973.db2.gz HVIPQRKIAROYDO-HNNXBMFYSA-N 0 0 319.365 0.432 50 0 DCAARN Cc1csc(CCCNC(=O)[C@@H](C)NS(C)(=O)=O)n1 ZINC000102483649 395770478 /nfs/dbraw/zinc/77/04/78/395770478.db2.gz DYFCUANBDJDXJB-SECBINFHSA-N 0 0 305.425 0.438 50 0 DCAARN CSCC[C@@H](NC(N)=O)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000046278907 395774749 /nfs/dbraw/zinc/77/47/49/395774749.db2.gz ZBDYJECVEDJIQL-VXGBXAGGSA-N 0 0 323.418 0.896 50 0 DCAARN Cc1cc(S(N)(=O)=O)cc(NC(=O)CN(C)C2CC2)c1C ZINC000046601958 395778768 /nfs/dbraw/zinc/77/87/68/395778768.db2.gz QBHCHYILDPPCMX-UHFFFAOYSA-N 0 0 311.407 0.984 50 0 DCAARN NC(=O)[C@H]1CC[C@@H](CNC(=O)N2CC=C(C(F)(F)F)CC2)O1 ZINC000270522697 395779002 /nfs/dbraw/zinc/77/90/02/395779002.db2.gz UCSJEXULLDMGNX-VHSXEESVSA-N 0 0 321.299 0.923 50 0 DCAARN NC(=O)C1(CNC(=O)[C@@H]2COc3ccccc3O2)CCOCC1 ZINC000047930925 395803120 /nfs/dbraw/zinc/80/31/20/395803120.db2.gz OLVLSWHGMXUDQJ-ZDUSSCGKSA-N 0 0 320.345 0.225 50 0 DCAARN CN(C)c1noc(Cn2cc(I)cn2)n1 ZINC000194688167 395804478 /nfs/dbraw/zinc/80/44/78/395804478.db2.gz HMOOSANLWDPLCC-UHFFFAOYSA-N 0 0 319.106 0.985 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](C)O)CC2)s1 ZINC000049914101 395834523 /nfs/dbraw/zinc/83/45/23/395834523.db2.gz BHEXOMSRWZMGMB-SNVBAGLBSA-N 0 0 304.437 0.744 50 0 DCAARN CC(C)COc1ccc(C(=O)N2CCO[C@H](C(N)=O)C2)cn1 ZINC000050845364 395841064 /nfs/dbraw/zinc/84/10/64/395841064.db2.gz UGOSWYKBXRCCKP-LBPRGKRZSA-N 0 0 307.350 0.443 50 0 DCAARN CN1C[C@@H](C(=O)N2CCC[C@H](Oc3cnccn3)C2)CC1=O ZINC000225475447 395860611 /nfs/dbraw/zinc/86/06/11/395860611.db2.gz VEASELGWAUQJGP-RYUDHWBXSA-N 0 0 304.350 0.325 50 0 DCAARN CSc1ncccc1C(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000218945313 395843496 /nfs/dbraw/zinc/84/34/96/395843496.db2.gz NZHXFEUPQJDOCW-UHFFFAOYSA-N 0 0 305.363 0.854 50 0 DCAARN CCc1nc(C)c(CC(=O)N[C@@H](C)CCn2cccn2)c(=O)[nH]1 ZINC000218907379 395843752 /nfs/dbraw/zinc/84/37/52/395843752.db2.gz KKWXLFBFNOUNCO-NSHDSACASA-N 0 0 317.393 0.975 50 0 DCAARN O=C(CCn1cnc2ccccc21)NCCN1CCNC1=O ZINC000218901760 395843852 /nfs/dbraw/zinc/84/38/52/395843852.db2.gz PTNOJYTWPCWTQB-UHFFFAOYSA-N 0 0 301.350 0.568 50 0 DCAARN Cc1ccccc1OC[C@@H](O)C(=O)N1CC(N2CCOCC2)C1 ZINC000218932751 395843903 /nfs/dbraw/zinc/84/39/03/395843903.db2.gz YJPKVGXLUTYPHO-OAHLLOKOSA-N 0 0 320.389 0.278 50 0 DCAARN O=C(CCn1cnnn1)N1CCC[C@H](C(=O)c2ccccn2)C1 ZINC000219280804 395844536 /nfs/dbraw/zinc/84/45/36/395844536.db2.gz ZZUIURQPZCDHII-LBPRGKRZSA-N 0 0 314.349 0.580 50 0 DCAARN CCC(C)(C)NC(=O)CN1CCCn2nc([C@@H](O)CO)cc2C1 ZINC000219779987 395846307 /nfs/dbraw/zinc/84/63/07/395846307.db2.gz RODHKXHSUVDLRY-AWEZNQCLSA-N 0 0 324.425 0.419 50 0 DCAARN CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N(C)C1CCSCC1 ZINC000219810201 395846524 /nfs/dbraw/zinc/84/65/24/395846524.db2.gz MZEPWMZQMFAZFZ-ZDUSSCGKSA-N 0 0 310.423 0.811 50 0 DCAARN CSc1ncc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cn1 ZINC000220065198 395847882 /nfs/dbraw/zinc/84/78/82/395847882.db2.gz PWTGNPVKZMBAFW-LLVKDONJSA-N 0 0 301.393 0.506 50 0 DCAARN CNC(=O)c1noc(CNC(=O)Cc2ccc(O)c(Cl)c2)n1 ZINC000220246316 395847996 /nfs/dbraw/zinc/84/79/96/395847996.db2.gz KHCSGQSUFOKHCI-UHFFFAOYSA-N 0 0 324.724 0.647 50 0 DCAARN O=C(CCn1c(CO)nc2ccccc21)N[C@@H]1COCC[C@H]1O ZINC000220186382 395848058 /nfs/dbraw/zinc/84/80/58/395848058.db2.gz KDPPCQZFHRHJKY-TZMCWYRMSA-N 0 0 319.361 0.185 50 0 DCAARN CCOCCn1nc(C)cc1C(=O)NCCN1CCCOC1=O ZINC000220561777 395848913 /nfs/dbraw/zinc/84/89/13/395848913.db2.gz HXQLWPOEBRAWQA-UHFFFAOYSA-N 0 0 324.381 0.800 50 0 DCAARN CC1CCC(NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000222046620 395851415 /nfs/dbraw/zinc/85/14/15/395851415.db2.gz JGGLEFSHABYPRL-TWGQIWQCSA-N 0 0 305.378 0.792 50 0 DCAARN O=C(CN1CCC(O)CC1)N1CCN(Cc2ccsc2)CC1 ZINC000051590535 395851942 /nfs/dbraw/zinc/85/19/42/395851942.db2.gz OIKAAJCJJXHTGR-UHFFFAOYSA-N 0 0 323.462 0.849 50 0 DCAARN O=C(NCCCO)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223355388 395854853 /nfs/dbraw/zinc/85/48/53/395854853.db2.gz AAWXTFIUFFXJNW-GFCCVEGCSA-N 0 0 320.345 0.405 50 0 DCAARN CC(C)(C)N1C[C@H](CNC(=O)CCCn2cncn2)CC1=O ZINC000223336056 395855102 /nfs/dbraw/zinc/85/51/02/395855102.db2.gz JPRGUEBOOJBZPQ-LBPRGKRZSA-N 0 0 307.398 0.822 50 0 DCAARN Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)Cn2ccnn2)cn1 ZINC000223376654 395855171 /nfs/dbraw/zinc/85/51/71/395855171.db2.gz PXEYFAABVPLIKU-KGLIPLIRSA-N 0 0 317.349 0.334 50 0 DCAARN C[C@H]1CN(C(=O)Cc2ccc(-n3cnnn3)cc2)[C@@H](C)CO1 ZINC000047447349 395793058 /nfs/dbraw/zinc/79/30/58/395793058.db2.gz CIGCNGKSPUBYSA-RYUDHWBXSA-N 0 0 301.350 0.841 50 0 DCAARN O=C(Nc1ccc(Cc2nn[nH]n2)cc1)[C@@H]1CCCCC(=O)N1 ZINC000194324152 395793471 /nfs/dbraw/zinc/79/34/71/395793471.db2.gz YOSDQMWJGHNSJM-LBPRGKRZSA-N 0 0 314.349 0.788 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)[C@@H](OC)c2ccccc2)cn1 ZINC000194359101 395795040 /nfs/dbraw/zinc/79/50/40/395795040.db2.gz ZJZCIDABEQUWHA-AWEZNQCLSA-N 0 0 302.334 0.955 50 0 DCAARN CC(=O)N[C@H](C(=O)NC[C@H](C)N1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000109027496 395796332 /nfs/dbraw/zinc/79/63/32/395796332.db2.gz TUYOCKFILANZFW-JLNYLFASSA-N 0 0 313.442 0.761 50 0 DCAARN Cc1cnc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cn1 ZINC000047647684 395798430 /nfs/dbraw/zinc/79/84/30/395798430.db2.gz JPXVAQYSMHPTHK-CYBMUJFWSA-N 0 0 304.350 0.248 50 0 DCAARN NC(=O)[C@H]1CC(C(=O)N2CCSCC2)=NN1c1ccccc1 ZINC000053818570 395889384 /nfs/dbraw/zinc/88/93/84/395889384.db2.gz FURKPOGJTPQARA-CYBMUJFWSA-N 0 0 318.402 0.682 50 0 DCAARN NS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CCCO2)cc1 ZINC000054025576 395892226 /nfs/dbraw/zinc/89/22/26/395892226.db2.gz PSRLQJUIGPCAMP-NSHDSACASA-N 0 0 313.379 0.312 50 0 DCAARN CCN1CCOC(=O)[C@H]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000054253721 395896131 /nfs/dbraw/zinc/89/61/31/395896131.db2.gz FJLGTHHZLUMWBS-LLVKDONJSA-N 0 0 306.318 0.991 50 0 DCAARN Cc1cccc2c(=O)n(CCC(=O)N3CCN(C)CC3)cnc12 ZINC000054455505 395899621 /nfs/dbraw/zinc/89/96/21/395899621.db2.gz PHTRAEWFIRNVFW-UHFFFAOYSA-N 0 0 314.389 0.869 50 0 DCAARN c1csc(Cn2nnnc2Sc2ccc3nnnn3n2)c1 ZINC000054448851 395900089 /nfs/dbraw/zinc/90/00/89/395900089.db2.gz RLZJTTMQYXIQFI-UHFFFAOYSA-N 0 0 317.363 0.767 50 0 DCAARN Cc1noc(C2CCN(CC(=O)N3CCO[C@@H](C)C3)CC2)n1 ZINC000054677970 395904348 /nfs/dbraw/zinc/90/43/48/395904348.db2.gz RPUZXPRUNLLDCV-NSHDSACASA-N 0 0 308.382 0.805 50 0 DCAARN Cc1nnc2ccc(N3CCN(C(=O)C4CC(=O)C4)CC3)nn12 ZINC000133926104 395930154 /nfs/dbraw/zinc/93/01/54/395930154.db2.gz IJMBTGTUCYICGZ-UHFFFAOYSA-N 0 0 314.349 0.060 50 0 DCAARN Cn1cc(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)cn1 ZINC000054815062 395906686 /nfs/dbraw/zinc/90/66/86/395906686.db2.gz VDUMKBVWFCRPHV-UHFFFAOYSA-N 0 0 316.361 0.930 50 0 DCAARN O=C(CN1CCCC1=O)NCc1ccc(N2CCOCC2)nc1 ZINC000055149661 395912176 /nfs/dbraw/zinc/91/21/76/395912176.db2.gz PMIFAZFJHRKBEY-UHFFFAOYSA-N 0 0 318.377 0.157 50 0 DCAARN C[C@H](C(=O)NCc1ncc[nH]1)N(c1ccccc1)S(C)(=O)=O ZINC000055132081 395912317 /nfs/dbraw/zinc/91/23/17/395912317.db2.gz FXTJDGBKPMTECN-LLVKDONJSA-N 0 0 322.390 0.881 50 0 DCAARN COC(=O)CNC[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000055383835 395917956 /nfs/dbraw/zinc/91/79/56/395917956.db2.gz VYGFGHWDVRPXNG-INIZCTEOSA-N 0 0 324.352 0.442 50 0 DCAARN O=C(CN1CCNCC1=O)N1CCO[C@H](c2cccs2)C1 ZINC000238084346 395921584 /nfs/dbraw/zinc/92/15/84/395921584.db2.gz BVHWSXUTXHHENL-NSHDSACASA-N 0 0 309.391 0.080 50 0 DCAARN CNc1cc([C@H]2C[C@H](NS(C)(=O)=O)C2)nc(COC)n1 ZINC000244875015 395926208 /nfs/dbraw/zinc/92/62/08/395926208.db2.gz XLDJRARINJHKAL-KYZUINATSA-N 0 0 300.384 0.460 50 0 DCAARN Cc1cc(N2CCC(NC(=O)c3ccc[n+]([O-])c3)CC2)n[nH]1 ZINC000225750917 395863080 /nfs/dbraw/zinc/86/30/80/395863080.db2.gz YNVKCQOXYBXIAI-UHFFFAOYSA-N 0 0 301.350 0.750 50 0 DCAARN COCCNC(=O)Cn1cc(COc2cccc(C)c2)nn1 ZINC000227167499 395867636 /nfs/dbraw/zinc/86/76/36/395867636.db2.gz HKIAGSJLHNSTCN-UHFFFAOYSA-N 0 0 304.350 0.928 50 0 DCAARN COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N(C)CCO ZINC000227151020 395867823 /nfs/dbraw/zinc/86/78/23/395867823.db2.gz WATKVEDPNLDIPO-UHFFFAOYSA-N 0 0 316.379 0.010 50 0 DCAARN Cc1nnc(CN2CCC(NC(=O)c3cnn(C)c3)CC2)n1C ZINC000052904408 395872624 /nfs/dbraw/zinc/87/26/24/395872624.db2.gz DVMJEPVGBZYEMP-UHFFFAOYSA-N 0 0 317.397 0.251 50 0 DCAARN Cc1nnc([C@H]2CN(C[C@@H](O)COCc3ccco3)CCO2)[nH]1 ZINC000229302123 395873984 /nfs/dbraw/zinc/87/39/84/395873984.db2.gz LAUULORXDFXSFE-TZMCWYRMSA-N 0 0 322.365 0.657 50 0 DCAARN CNC(=O)[C@@H]1Cc2ccccc2CN1C[C@@H](O)Cn1cccn1 ZINC000229244835 395874114 /nfs/dbraw/zinc/87/41/14/395874114.db2.gz STSUXZNYKFNJBX-CVEARBPZSA-N 0 0 314.389 0.417 50 0 DCAARN Cn1ncc2c1nc(CN1CCO[C@H]3CCCC[C@H]31)[nH]c2=O ZINC000230201635 395879417 /nfs/dbraw/zinc/87/94/17/395879417.db2.gz MBOFAVLDYLZRMR-NEPJUHHUSA-N 0 0 303.366 0.800 50 0 DCAARN C[C@@H]1CN(C(=O)C2(NS(C)(=O)=O)CCCCC2)C[C@H](C)O1 ZINC000057180214 395940367 /nfs/dbraw/zinc/94/03/67/395940367.db2.gz AYESOIWWEGOLEQ-TXEJJXNPSA-N 0 0 318.439 0.874 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)NC(C)(C)C(=O)OC)C1 ZINC000058105302 395951102 /nfs/dbraw/zinc/95/11/02/395951102.db2.gz ZZPVZOWWVQBOAI-JTQLQIEISA-N 0 0 320.411 0.116 50 0 DCAARN O=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1nccs1 ZINC000061720874 395970229 /nfs/dbraw/zinc/97/02/29/395970229.db2.gz QWOAXSPFRLDWPY-UHFFFAOYSA-N 0 0 321.362 0.175 50 0 DCAARN C[C@H](CNC(=O)[C@H]1CC(=O)N(C2CC2)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000248017231 395981606 /nfs/dbraw/zinc/98/16/06/395981606.db2.gz SXAUNLLPTSVXTJ-SYQHCUMBSA-N 0 0 323.437 0.611 50 0 DCAARN O=C(CCN1CCCCO1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000063884466 395983698 /nfs/dbraw/zinc/98/36/98/395983698.db2.gz LHJXNFNOIWGMLG-UHFFFAOYSA-N 0 0 316.365 0.900 50 0 DCAARN O=C(NCCN1CCOCC1)c1ccccc1N1CCOCC1 ZINC000064334988 395986135 /nfs/dbraw/zinc/98/61/35/395986135.db2.gz HKOIVYFKXZTJED-UHFFFAOYSA-N 0 0 319.405 0.585 50 0 DCAARN CC[C@@H](C)NC(=O)Cn1ncc2c1ncnc2N1CCOCC1 ZINC000065295078 395992220 /nfs/dbraw/zinc/99/22/20/395992220.db2.gz RDKPZNDGUUZYQY-LLVKDONJSA-N 0 0 318.381 0.578 50 0 DCAARN O=C1CCCN1CCCNc1ncc(F)c(N2CCOCC2)n1 ZINC000065373079 395992760 /nfs/dbraw/zinc/99/27/60/395992760.db2.gz ZGPOQFIDFPDBFV-UHFFFAOYSA-N 0 0 323.372 0.877 50 0 DCAARN O[C@@H]1CCCN(c2ccnc(NCCSc3nc[nH]n3)n2)C1 ZINC000065455334 395994523 /nfs/dbraw/zinc/99/45/23/395994523.db2.gz SEYIJLMLRVPWGB-SNVBAGLBSA-N 0 0 321.410 0.760 50 0 DCAARN Cn1c2ccccc2sc1=NC(=O)c1cn(CC(N)=O)nn1 ZINC000252668235 396024268 /nfs/dbraw/zinc/02/42/68/396024268.db2.gz FAEFZMXNHVEENU-UHFFFAOYSA-N 0 0 316.346 0.058 50 0 DCAARN Cn1nccc1N1CCC[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC000253394821 396026532 /nfs/dbraw/zinc/02/65/32/396026532.db2.gz ASANBEWOGLKCAN-LRDDRELGSA-N 0 0 319.409 0.421 50 0 DCAARN COC[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1c1ccncc1 ZINC000253411784 396027180 /nfs/dbraw/zinc/02/71/80/396027180.db2.gz PCKYFNAHHRLPEC-GJZGRUSLSA-N 0 0 317.389 0.892 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1COC ZINC000253410702 396027214 /nfs/dbraw/zinc/02/72/14/396027214.db2.gz NPWDHOQXJMZQTJ-NWDGAFQWSA-N 0 0 320.345 0.496 50 0 DCAARN CCS(=O)(=O)NCCNC(=O)[C@H]1Cc2cccc(F)c2O1 ZINC000253416712 396028187 /nfs/dbraw/zinc/02/81/87/396028187.db2.gz HBLGEYCJVHWPJR-LLVKDONJSA-N 0 0 316.354 0.185 50 0 DCAARN CO[C@H]1C[C@H](C(=O)N2C[C@@H]3CCC[C@@H]3C2)N(S(C)(=O)=O)C1 ZINC000253431602 396028754 /nfs/dbraw/zinc/02/87/54/396028754.db2.gz SNWFQNQIBQVXBN-QNWHQSFQSA-N 0 0 316.423 0.294 50 0 DCAARN COC(=O)[C@@H]1CCCN1CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000254739746 396032023 /nfs/dbraw/zinc/03/20/23/396032023.db2.gz YQSJQFQVQXCKTH-AAEUAGOBSA-N 0 0 320.393 0.852 50 0 DCAARN CC(=O)N1CCCn2nc(C(=O)N3CCC[C@H](O)C3)cc2C1 ZINC000067756165 396032551 /nfs/dbraw/zinc/03/25/51/396032551.db2.gz TYXITWQLXHLJEI-ZDUSSCGKSA-N 0 0 306.366 0.232 50 0 DCAARN C[N@@H+]1CCN(C(=O)Cc2ccc3c(c2)OCO3)C[C@H]1C(=O)[O-] ZINC000067774852 396033306 /nfs/dbraw/zinc/03/33/06/396033306.db2.gz AMUOPYAJFWNHMP-NSHDSACASA-N 0 0 306.318 0.185 50 0 DCAARN O=C(c1ccc(Cl)cn1)N1CCC2(CC1)NCCNC2=O ZINC000067805436 396033956 /nfs/dbraw/zinc/03/39/56/396033956.db2.gz NHSNIXBYXRLHCY-UHFFFAOYSA-N 0 0 308.769 0.429 50 0 DCAARN CCS(=O)(=O)N1CCOCCNC(=O)[C@H]2CCCC[C@H]21 ZINC000257195174 396036093 /nfs/dbraw/zinc/03/60/93/396036093.db2.gz VNXGDOSTEKFQAI-NWDGAFQWSA-N 0 0 304.412 0.343 50 0 DCAARN Cc1cccc(OCC(=O)NCCN(C)S(C)(=O)=O)c1C ZINC000067855936 396036163 /nfs/dbraw/zinc/03/61/63/396036163.db2.gz IDPTTYMFZQDSJR-UHFFFAOYSA-N 0 0 314.407 0.690 50 0 DCAARN CC[C@H]1CN(C(=O)c2cc(CN3CCOCC3)on2)CCN1C ZINC000067843040 396036435 /nfs/dbraw/zinc/03/64/35/396036435.db2.gz JNWVZICKBLELMY-ZDUSSCGKSA-N 0 0 322.409 0.673 50 0 DCAARN Nc1nnnn1CC(=O)N1CCCC[C@H]1CCc1ccccn1 ZINC000067881001 396037655 /nfs/dbraw/zinc/03/76/55/396037655.db2.gz JJDIFSYIENROEK-ZDUSSCGKSA-N 0 0 315.381 0.664 50 0 DCAARN CN1CCN(C(=O)C2([NH+]3CCCC3)CCCC2)C[C@H]1C(=O)[O-] ZINC000067954419 396040362 /nfs/dbraw/zinc/04/03/62/396040362.db2.gz UTBAOCRGXFPNKX-ZDUSSCGKSA-N 0 0 309.410 0.622 50 0 DCAARN Cc1nc(CCCNC(=O)c2c[nH]c(=O)[nH]c2=O)sc1C ZINC000067975116 396041281 /nfs/dbraw/zinc/04/12/81/396041281.db2.gz FNNOSEMIJJDKJA-UHFFFAOYSA-N 0 0 308.363 0.499 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(Cn2nnc(-c3ccco3)n2)o1 ZINC000069150448 396072052 /nfs/dbraw/zinc/07/20/52/396072052.db2.gz HFQJPGMXOWTLAJ-UHFFFAOYSA-N 0 0 323.334 0.825 50 0 DCAARN CN(CCO)Cc1nnnn1-c1ccccc1Br ZINC000068968584 396067243 /nfs/dbraw/zinc/06/72/43/396067243.db2.gz MXKPXWJLGSCCOM-UHFFFAOYSA-N 0 0 312.171 0.849 50 0 DCAARN Cc1cc2c(cc1S(=O)(=O)N(C)Cc1nc[nH]n1)OCO2 ZINC000252492119 396020731 /nfs/dbraw/zinc/02/07/31/396020731.db2.gz MDFYHUDWZRCULK-UHFFFAOYSA-N 0 0 310.335 0.663 50 0 DCAARN CN1CCN(C(=O)C[C@@H]2NC(=O)N(c3ccccc3)C2=O)CC1 ZINC000252494367 396021076 /nfs/dbraw/zinc/02/10/76/396021076.db2.gz NTVCZQLEZBGHLS-ZDUSSCGKSA-N 0 0 316.361 0.480 50 0 DCAARN CSCC[C@@H](CO)NC(=O)c1ccc(-n2nnnc2C)cc1 ZINC000252505138 396021783 /nfs/dbraw/zinc/02/17/83/396021783.db2.gz VPICTHFPVHVUDV-LBPRGKRZSA-N 0 0 321.406 0.815 50 0 DCAARN Cn1nccc1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC000069770975 396089516 /nfs/dbraw/zinc/08/95/16/396089516.db2.gz YVQFYVMEOLFQSF-UHFFFAOYSA-N 0 0 313.317 0.452 50 0 DCAARN CC(=O)N1CCC(OC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000169749019 396091183 /nfs/dbraw/zinc/09/11/83/396091183.db2.gz ZFRXIXFDUDDXMZ-UHFFFAOYSA-N 0 0 304.412 0.438 50 0 DCAARN CCOCCN1CCN([C@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000069844785 396091900 /nfs/dbraw/zinc/09/19/00/396091900.db2.gz VFPCFBHBPLHMQV-LLVKDONJSA-N 0 0 311.348 0.708 50 0 DCAARN CN(C(=O)c1ccc[nH]c1=O)[C@@H]1CCc2nn(C)c(=O)n2CC1 ZINC000169790602 396093354 /nfs/dbraw/zinc/09/33/54/396093354.db2.gz CACOFQXCBNTCSF-SNVBAGLBSA-N 0 0 317.349 0.160 50 0 DCAARN Cc1ccsc1C(=O)N1C[C@@H](C(N)=O)[C@H](c2nnc(C)[nH]2)C1 ZINC000169791223 396093481 /nfs/dbraw/zinc/09/34/81/396093481.db2.gz GMNKHVCWIWVOGW-NXEZZACHSA-N 0 0 319.390 0.824 50 0 DCAARN COCCOc1ccccc1C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000069876133 396093991 /nfs/dbraw/zinc/09/39/91/396093991.db2.gz IYAIAZWWWMLTKM-AWEZNQCLSA-N 0 0 322.405 0.850 50 0 DCAARN CNC(=O)C1(C(=O)N2CCCN(c3cccnn3)CC2)CCC1 ZINC000069918584 396094260 /nfs/dbraw/zinc/09/42/60/396094260.db2.gz ITVKXHIMIDWTBJ-UHFFFAOYSA-N 0 0 317.393 0.432 50 0 DCAARN CN(CCCS(C)(=O)=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000069917423 396094446 /nfs/dbraw/zinc/09/44/46/396094446.db2.gz YONGPBPBTLLVNT-ZDUSSCGKSA-N 0 0 312.439 0.812 50 0 DCAARN COc1ccc(CC(=O)N2CCN(C[C@@H](C)O)CC2)cc1F ZINC000070040985 396098743 /nfs/dbraw/zinc/09/87/43/396098743.db2.gz XQJCODUAMSKDLU-GFCCVEGCSA-N 0 0 310.369 0.902 50 0 DCAARN Cc1cc(S(=O)(=O)NCCO)cc2c1N(C)C(=O)C2(C)C ZINC000071195955 396110830 /nfs/dbraw/zinc/11/08/30/396110830.db2.gz KRJCCAJAFLMILY-UHFFFAOYSA-N 0 0 312.391 0.520 50 0 DCAARN Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc(N2CCOCC2)n1 ZINC000071195519 396110987 /nfs/dbraw/zinc/11/09/87/396110987.db2.gz YVQBIOMJHGVNQK-BETUJISGSA-N 0 0 320.393 0.871 50 0 DCAARN CC(=O)Nc1ccccc1NC(=O)CN1CCC[C@@H](C(N)=O)C1 ZINC000071315035 396112333 /nfs/dbraw/zinc/11/23/33/396112333.db2.gz GAFWMOOMJJGTLQ-GFCCVEGCSA-N 0 0 318.377 0.781 50 0 DCAARN CN1C(=O)CCc2cc(C(=O)N[C@]3(CCO)CCOC3)ccc21 ZINC000278237731 396114042 /nfs/dbraw/zinc/11/40/42/396114042.db2.gz YZPUHRGHVQGAGA-QGZVFWFLSA-N 0 0 318.373 0.867 50 0 DCAARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@H]1COC(=O)N1 ZINC000071614727 396114340 /nfs/dbraw/zinc/11/43/40/396114340.db2.gz VGDIWXUWSMTPJW-CYBMUJFWSA-N 0 0 300.318 0.939 50 0 DCAARN COc1ccnc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000071793337 396115147 /nfs/dbraw/zinc/11/51/47/396115147.db2.gz MVGYUJXVOVPGKU-GFCCVEGCSA-N 0 0 306.366 0.560 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000071821299 396116083 /nfs/dbraw/zinc/11/60/83/396116083.db2.gz RCARWTYPOHKXJO-STQMWFEESA-N 0 0 319.336 0.957 50 0 DCAARN CN(Cc1nc2c(c(=O)[nH]c(=O)n2C)n1C)CC1CCCCC1 ZINC000071828125 396116795 /nfs/dbraw/zinc/11/67/95/396116795.db2.gz ZQHXRNMDGGWPSJ-UHFFFAOYSA-N 0 0 319.409 0.972 50 0 DCAARN CN(CC(=O)NC1CCN(CC(N)=O)CC1)Cc1ccccc1 ZINC000071841322 396118472 /nfs/dbraw/zinc/11/84/72/396118472.db2.gz JNJMPFBRADQCET-UHFFFAOYSA-N 0 0 318.421 0.184 50 0 DCAARN CNC(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2cccn2)cn1 ZINC000071866817 396119708 /nfs/dbraw/zinc/11/97/08/396119708.db2.gz RFUQSVPUTWCHSJ-CYBMUJFWSA-N 0 0 313.361 0.943 50 0 DCAARN CC(C)c1nnc2n1CCN(CCC(=O)N1CCOCC1)C2 ZINC000071871971 396120117 /nfs/dbraw/zinc/12/01/17/396120117.db2.gz WQRVASXGWATSHA-UHFFFAOYSA-N 0 0 307.398 0.466 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)Cc2ccc3c(c2)OCCO3)CC1 ZINC000071871012 396120351 /nfs/dbraw/zinc/12/03/51/396120351.db2.gz LEWSXQQCWLPAEY-ZDUSSCGKSA-N 0 0 320.389 0.525 50 0 DCAARN COC(=O)CN(CCN1CCOCC1)C(=O)c1cccc(C)c1 ZINC000071893443 396123830 /nfs/dbraw/zinc/12/38/30/396123830.db2.gz BJIDHFSZDHOUQT-UHFFFAOYSA-N 0 0 320.389 0.942 50 0 DCAARN O=C(COC1CCCC1)N1CCC[C@@H]1C(=O)N1CCOCC1 ZINC000071900224 396124814 /nfs/dbraw/zinc/12/48/14/396124814.db2.gz DZLYRONXHJZTMK-CQSZACIVSA-N 0 0 310.394 0.795 50 0 DCAARN CCOC(=O)NCCNC(=O)NCc1cn2c(n1)CCCC2 ZINC000072268163 396128037 /nfs/dbraw/zinc/12/80/37/396128037.db2.gz BCTXHKUYJCOBOG-UHFFFAOYSA-N 0 0 309.370 0.765 50 0 DCAARN C[C@H](Oc1ccc(N(C)C(N)=O)cc1)C(=O)N1CCOCC1 ZINC000072268103 396128185 /nfs/dbraw/zinc/12/81/85/396128185.db2.gz OBOZOMWKBYWVHX-NSHDSACASA-N 0 0 307.350 0.828 50 0 DCAARN CC(C)Cc1nc(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)cs1 ZINC000072290755 396129713 /nfs/dbraw/zinc/12/97/13/396129713.db2.gz BPOFQNSSJPPRKF-CQSZACIVSA-N 0 0 322.390 0.766 50 0 DCAARN CNS(=O)(=O)CC(=O)N1C[C@@H](C)CN(C)c2ccccc21 ZINC000175218201 396140386 /nfs/dbraw/zinc/14/03/86/396140386.db2.gz VMWIIRVRNWRXGQ-NSHDSACASA-N 0 0 311.407 0.655 50 0 DCAARN C[C@H]1CCCN(C(=O)CN2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000069414240 396077437 /nfs/dbraw/zinc/07/74/37/396077437.db2.gz PFGIVHBZOWIHRB-STQMWFEESA-N 0 0 317.455 0.259 50 0 DCAARN CCc1noc([C@H](C)N2CCN(CCN3CCCC3=O)CC2)n1 ZINC000069443501 396078783 /nfs/dbraw/zinc/07/87/83/396078783.db2.gz YRRCCLCHALRRMZ-ZDUSSCGKSA-N 0 0 321.425 0.933 50 0 DCAARN CCn1cc(CN2CCCN(C(=O)[C@@H]3CCOC3)CC2)cn1 ZINC000069459872 396079654 /nfs/dbraw/zinc/07/96/54/396079654.db2.gz PGSNCXPCZRJHPQ-OAHLLOKOSA-N 0 0 306.410 0.974 50 0 DCAARN CN(C(=O)CN1CCC[C@@H]1Cn1cncn1)c1nccs1 ZINC000069601337 396084347 /nfs/dbraw/zinc/08/43/47/396084347.db2.gz XUYVPSKLVPHRKL-LLVKDONJSA-N 0 0 306.395 0.862 50 0 DCAARN COC(=O)CCCNC(=O)CN1C(=O)CC2(CCCCC2)C1=O ZINC000069618065 396084626 /nfs/dbraw/zinc/08/46/26/396084626.db2.gz BSIVRSXILMFVOT-UHFFFAOYSA-N 0 0 324.377 0.765 50 0 DCAARN Cn1cc(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)cn1 ZINC000069620170 396084853 /nfs/dbraw/zinc/08/48/53/396084853.db2.gz ALNJXDMZEDWIBV-KGLIPLIRSA-N 0 0 312.439 0.161 50 0 DCAARN Cn1c2ccccc2c(C(=O)N2CCC(C(N)=O)CC2)cc1=O ZINC000074715067 396170532 /nfs/dbraw/zinc/17/05/32/396170532.db2.gz XATFMNIFGSTIBI-UHFFFAOYSA-N 0 0 313.357 0.876 50 0 DCAARN COC(=O)C1=C(C(C)=O)NN(c2ccccc2)[C@H]1C(=O)OC ZINC000075286107 396179465 /nfs/dbraw/zinc/17/94/65/396179465.db2.gz KTCOESHXEDWQTQ-WCQYABFASA-N 0 0 304.302 0.782 50 0 DCAARN CCCc1nnc([C@H]2CN(C(=O)CCn3ccnn3)CCO2)[nH]1 ZINC000076046094 396192649 /nfs/dbraw/zinc/19/26/49/396192649.db2.gz VNVBPODGKOIDDL-LLVKDONJSA-N 0 0 319.369 0.339 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)[nH]1 ZINC000076045159 396193033 /nfs/dbraw/zinc/19/30/33/396193033.db2.gz VWEMTSUTIMNJJK-ZDUSSCGKSA-N 0 0 318.381 0.606 50 0 DCAARN O=C(c1coc(Br)c1)N1CCN(CCO)CC1 ZINC000078234079 396240621 /nfs/dbraw/zinc/24/06/21/396240621.db2.gz WOLSJFCHZWYYRU-UHFFFAOYSA-N 0 0 303.156 0.792 50 0 DCAARN NS(=O)(=O)NC[C@H]1CCCN(Cc2ccnc(Cl)c2)C1 ZINC000078656582 396251439 /nfs/dbraw/zinc/25/14/39/396251439.db2.gz HUOILLCLKWMBKD-LLVKDONJSA-N 0 0 318.830 0.740 50 0 DCAARN CCc1nnsc1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000078788530 396254757 /nfs/dbraw/zinc/25/47/57/396254757.db2.gz UYISQXSDHSCOKT-NEPJUHHUSA-N 0 0 310.423 0.772 50 0 DCAARN CCS(=O)(=O)CCN1CCO[C@@H](c2nnc(C(C)C)[nH]2)C1 ZINC000078892734 396257346 /nfs/dbraw/zinc/25/73/46/396257346.db2.gz MBATYOKGBJIGMP-LLVKDONJSA-N 0 0 316.427 0.736 50 0 DCAARN NC(=O)c1cc([C@@H]2CCCN(C(=O)C3=COCCC3)C2)n[nH]1 ZINC000078901249 396257910 /nfs/dbraw/zinc/25/79/10/396257910.db2.gz PPNUWMBNVOIUEB-SNVBAGLBSA-N 0 0 304.350 0.909 50 0 DCAARN CCCSCC(=O)NC[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000077319799 396217985 /nfs/dbraw/zinc/21/79/85/396217985.db2.gz BQTPTIVKFRJAPR-LBPRGKRZSA-N 0 0 324.450 0.866 50 0 DCAARN Cn1cccc1C(=O)N1CCC[C@]2(CCC(=O)N(CCO)C2)C1 ZINC000077407929 396220982 /nfs/dbraw/zinc/22/09/82/396220982.db2.gz MNOPNSIGRLURGQ-QGZVFWFLSA-N 0 0 319.405 0.862 50 0 DCAARN O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCOC[C@H](CO)C1 ZINC000077565070 396226354 /nfs/dbraw/zinc/22/63/54/396226354.db2.gz ANKSWQHEJRPVOJ-NSHDSACASA-N 0 0 302.334 0.553 50 0 DCAARN CCNC(=O)NC(=O)CN1CCSC[C@@H]1c1cnn(C)c1 ZINC000191209317 396416728 /nfs/dbraw/zinc/41/67/28/396416728.db2.gz PYTFORXFADQKCW-LLVKDONJSA-N 0 0 311.411 0.356 50 0 DCAARN COC(=O)[C@H]1N[C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000526056123 396531723 /nfs/dbraw/zinc/53/17/23/396531723.db2.gz ZEZMVPHAUKHCOT-XQHKEYJVSA-N 0 0 318.329 0.112 50 0 DCAARN CN(Cc1ccc2c(c1)OCO2)C(=O)CCCn1cnnn1 ZINC000584884522 396631597 /nfs/dbraw/zinc/63/15/97/396631597.db2.gz XKCZXPQFRZWQLX-UHFFFAOYSA-N 0 0 303.322 0.841 50 0 DCAARN CCc1[nH]nc(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)c1C ZINC000584884180 396631637 /nfs/dbraw/zinc/63/16/37/396631637.db2.gz AVKSAMDLURUMJZ-UHFFFAOYSA-N 0 0 320.393 0.744 50 0 DCAARN Cc1n[nH]c(CCC(=O)N2CCN(CCCCO)CC2)c1C ZINC000584884905 396632280 /nfs/dbraw/zinc/63/22/80/396632280.db2.gz KUVFLUOETIJMJL-UHFFFAOYSA-N 0 0 308.426 0.876 50 0 DCAARN CN(Cc1ccc2ncccc2c1)C(=O)CNS(C)(=O)=O ZINC000584885738 396632291 /nfs/dbraw/zinc/63/22/91/396632291.db2.gz ITYVFZYQMKEDIZ-UHFFFAOYSA-N 0 0 307.375 0.742 50 0 DCAARN COCC1CCN(C(=O)[C@H]2CSC(C)(C)C(=O)N2)CC1 ZINC000584885458 396632551 /nfs/dbraw/zinc/63/25/51/396632551.db2.gz TUOWZNIEHPSVHK-LLVKDONJSA-N 0 0 300.424 0.882 50 0 DCAARN O=C(CCn1cnnn1)NCc1ccc2c(c1)OCCCO2 ZINC000584888855 396633064 /nfs/dbraw/zinc/63/30/64/396633064.db2.gz FKNMHTQYSCOWAW-UHFFFAOYSA-N 0 0 303.322 0.541 50 0 DCAARN CNC(=O)c1noc(CNC(=O)N(C)Cc2c(C)noc2C)n1 ZINC000584890429 396634281 /nfs/dbraw/zinc/63/42/81/396634281.db2.gz HDEDCVKVSJZFCM-UHFFFAOYSA-N 0 0 322.325 0.376 50 0 DCAARN Cc1cc(C)cc(C[C@@H](C)NC(=O)CN2CCNC(=O)C2)c1 ZINC000585140903 396641237 /nfs/dbraw/zinc/64/12/37/396641237.db2.gz MIBHMYYDNDILCV-CQSZACIVSA-N 0 0 303.406 0.782 50 0 DCAARN COCc1ccccc1CNC(=O)Cn1cncc(OC)c1=O ZINC000585134823 396641570 /nfs/dbraw/zinc/64/15/70/396641570.db2.gz KWZSKRXPTIWBLA-UHFFFAOYSA-N 0 0 317.345 0.715 50 0 DCAARN Cc1nn(C)c(C)c1C(=O)NCCn1nc2c(cc1=O)CCC2 ZINC000585150569 396642136 /nfs/dbraw/zinc/64/21/36/396642136.db2.gz SFQQOMDZNRDQJB-UHFFFAOYSA-N 0 0 315.377 0.512 50 0 DCAARN O=C(Cn1nnc2ccccc21)N1CC(n2cc(C3CC3)nn2)C1 ZINC000585149165 396642172 /nfs/dbraw/zinc/64/21/72/396642172.db2.gz LAKMMKDMEVNNHJ-UHFFFAOYSA-N 0 0 323.360 0.984 50 0 DCAARN Cn1nc2c(cc1=O)C[C@@H](NC(=O)c1cc(C3CC3)n[nH]1)CC2 ZINC000585149273 396642191 /nfs/dbraw/zinc/64/21/91/396642191.db2.gz DUWONYSJHYAISV-NSHDSACASA-N 0 0 313.361 0.668 50 0 DCAARN CC[C@@H](CNS(C)(=O)=O)NC(=O)c1cccc(OC)c1 ZINC000295556392 396700661 /nfs/dbraw/zinc/70/06/61/396700661.db2.gz HTCWDIBNKXZNHV-NSHDSACASA-N 0 0 300.380 0.753 50 0 DCAARN Cn1cc(S(=O)(=O)NC[C@](C)(O)Cc2ccsc2)cn1 ZINC000618256429 396942743 /nfs/dbraw/zinc/94/27/43/396942743.db2.gz IEQACPIHJJWGIQ-GFCCVEGCSA-N 0 0 315.420 0.754 50 0 DCAARN COC(=O)[C@@H](C)n1ncn(-c2ccc(OC)c(OC)c2)c1=O ZINC000602993664 397544404 /nfs/dbraw/zinc/54/44/04/397544404.db2.gz ULLKFKQZRYLIPJ-SECBINFHSA-N 0 0 307.306 0.785 50 0 DCAARN C[C@H]1C(=O)Nc2ccccc2N1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000225435944 299698246 /nfs/dbraw/zinc/69/82/46/299698246.db2.gz AMEDEWFFMDOWDH-UWVGGRQHSA-N 0 0 308.359 0.795 50 0 DCAARN CCO[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H](O)CN2C(C)=O)C12CCC2 ZINC000242178805 286463484 /nfs/dbraw/zinc/46/34/84/286463484.db2.gz XAZJDDREWRZWOO-YJNKXOJESA-N 0 0 324.421 0.774 50 0 DCAARN COc1nc2c(cc1C(=O)N[C@@H]1C=CS(=O)(=O)C1)CCC2 ZINC000091656312 286555960 /nfs/dbraw/zinc/55/59/60/286555960.db2.gz SZMCQAQFANYZDB-SNVBAGLBSA-N 0 0 308.359 0.619 50 0 DCAARN CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)nn1 ZINC000079040361 286606185 /nfs/dbraw/zinc/60/61/85/286606185.db2.gz KTYJQAGKACDUJK-QMMMGPOBSA-N 0 0 318.786 0.883 50 0 DCAARN Cc1nc(CN2CCCN(C(=O)c3cn(C)nc3C)CC2)no1 ZINC000113183394 158145426 /nfs/dbraw/zinc/14/54/26/158145426.db2.gz BQTRDGVUXXXLTC-UHFFFAOYSA-N 0 0 318.381 0.768 50 0 DCAARN CN(C[C@H]1CCCN(C(=O)C2CC(=O)C2)C1)S(C)(=O)=O ZINC000329195646 159072206 /nfs/dbraw/zinc/07/22/06/159072206.db2.gz VLPXEAVGXIGDEA-SNVBAGLBSA-N 0 0 302.396 0.096 50 0 DCAARN Cn1nccc1C1=CCN(C(=O)C2(S(C)(=O)=O)CC2)CC1 ZINC000329290377 159080696 /nfs/dbraw/zinc/08/06/96/159080696.db2.gz NDRFGOHUZBAAJM-UHFFFAOYSA-N 0 0 309.391 0.613 50 0 DCAARN CC[C@@]1(C)COCCN1C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000330621968 159204194 /nfs/dbraw/zinc/20/41/94/159204194.db2.gz CAQUNOKSSAGWTG-AWEZNQCLSA-N 0 0 309.370 0.007 50 0 DCAARN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)CS(C)(=O)=O ZINC000407983544 160002826 /nfs/dbraw/zinc/00/28/26/160002826.db2.gz DDPNXRXQMQFXMX-YOGCLGLASA-N 0 0 311.407 0.702 50 0 DCAARN Cn1cc(C(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000072233728 286910990 /nfs/dbraw/zinc/91/09/90/286910990.db2.gz GYAKMKASHQSWKE-UHFFFAOYSA-N 0 0 322.365 0.682 50 0 DCAARN COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OC ZINC000057946335 292520883 /nfs/dbraw/zinc/52/08/83/292520883.db2.gz CFJKRCVORXNNCE-INIZCTEOSA-N 0 0 318.329 0.785 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)NCCCCOc1ccccc1 ZINC000025621605 415162402 /nfs/dbraw/zinc/16/24/02/415162402.db2.gz DBMRXTWJTPSVLQ-UHFFFAOYSA-N 0 0 317.345 0.512 50 0 DCAARN CC1=NN(C(C)C)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000004316638 415129202 /nfs/dbraw/zinc/12/92/02/415129202.db2.gz NMMJVUUULIYIBO-SECBINFHSA-N 0 0 304.354 0.599 50 0 DCAARN Nc1n[nH]c(SCC(=O)N2CC(=O)Nc3ccccc32)n1 ZINC000003318230 415130103 /nfs/dbraw/zinc/13/01/03/415130103.db2.gz USAKUOHZAKCZMU-UHFFFAOYSA-N 0 0 304.335 0.464 50 0 DCAARN CS(=O)(=O)N1CCCc2cc(C(=O)N3CCOCC3)ccc21 ZINC000006767119 415133770 /nfs/dbraw/zinc/13/37/70/415133770.db2.gz CJEIARRCJFEKMA-UHFFFAOYSA-N 0 0 324.402 0.871 50 0 DCAARN Cc1ccccc1-c1nnn(CC(=O)NC(=O)NC(C)C)n1 ZINC000006943945 415137140 /nfs/dbraw/zinc/13/71/40/415137140.db2.gz FILUMUBBSAOALO-UHFFFAOYSA-N 0 0 302.338 0.883 50 0 DCAARN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000007304964 415137541 /nfs/dbraw/zinc/13/75/41/415137541.db2.gz CMIOPQRJUXBWSM-GFCCVEGCSA-N 0 0 310.375 0.775 50 0 DCAARN Cc1ccc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000007138390 415137741 /nfs/dbraw/zinc/13/77/41/415137741.db2.gz XJYRQESGPIUDCI-UHFFFAOYSA-N 0 0 318.358 0.687 50 0 DCAARN CCNC(=O)[C@@H](C)NC(=O)CCn1c2ccccc2oc1=O ZINC000007648879 415139702 /nfs/dbraw/zinc/13/97/02/415139702.db2.gz KODDDEPQCVRUEA-SNVBAGLBSA-N 0 0 305.334 0.625 50 0 DCAARN O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCC[C@@H](O)C1 ZINC000026240258 415166946 /nfs/dbraw/zinc/16/69/46/415166946.db2.gz IJMGMOWQNSFXGY-CQSZACIVSA-N 0 0 324.402 0.823 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)c1ccncc1 ZINC000027407961 415172570 /nfs/dbraw/zinc/17/25/70/415172570.db2.gz WOHYFBPZZLVBJF-SECBINFHSA-N 0 0 302.334 0.577 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000027431655 415173690 /nfs/dbraw/zinc/17/36/90/415173690.db2.gz STZUKZLHKAOOTN-CQSZACIVSA-N 0 0 313.423 0.144 50 0 DCAARN CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000268315463 415192822 /nfs/dbraw/zinc/19/28/22/415192822.db2.gz CZWKERQYMAWQLO-NWDGAFQWSA-N 0 0 323.397 0.996 50 0 DCAARN Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)N1CCN(C)CC1)O2 ZINC000040778884 415199279 /nfs/dbraw/zinc/19/92/79/415199279.db2.gz XYRGQENNRSCEBM-INIZCTEOSA-N 0 0 303.362 0.859 50 0 DCAARN C[C@H](C(=O)NCc1ccccc1Cn1cccn1)S(C)(=O)=O ZINC000044936414 415233724 /nfs/dbraw/zinc/23/37/24/415233724.db2.gz IVDKXEVMVJTWAL-GFCCVEGCSA-N 0 0 321.402 0.981 50 0 DCAARN CN(CCCNC(=O)c1ccc2c(c1)CCO2)S(C)(=O)=O ZINC000044919102 415234198 /nfs/dbraw/zinc/23/41/98/415234198.db2.gz XKHPRLQMXNCRLR-UHFFFAOYSA-N 0 0 312.391 0.633 50 0 DCAARN Cc1noc(CCCC(=O)NCCN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000044939682 415234374 /nfs/dbraw/zinc/23/43/74/415234374.db2.gz KYTQMWWWCPAKOL-TXEJJXNPSA-N 0 0 310.398 0.926 50 0 DCAARN C[C@@H](C(=O)NC1CC1)S(=O)(=O)Cc1noc(C(C)(C)C)n1 ZINC000044938702 415235544 /nfs/dbraw/zinc/23/55/44/415235544.db2.gz YVUQYWRVVQHTMZ-QMMMGPOBSA-N 0 0 315.395 0.949 50 0 DCAARN O=C(NCc1ccoc1)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000044967823 415237986 /nfs/dbraw/zinc/23/79/86/415237986.db2.gz HTVQNXXMENSRCR-CABCVRRESA-N 0 0 323.393 0.816 50 0 DCAARN O=C(Cn1nnc(COc2ccccc2)n1)N1CCSCC1 ZINC000044955018 415238209 /nfs/dbraw/zinc/23/82/09/415238209.db2.gz YSFXSVCFXNPUOR-UHFFFAOYSA-N 0 0 319.390 0.828 50 0 DCAARN CN(C)[C@H](CNC(=O)N[C@H]1CCCCNC1=O)c1ccco1 ZINC000044966376 415240126 /nfs/dbraw/zinc/24/01/26/415240126.db2.gz RFNZTACVRQWSSX-NWDGAFQWSA-N 0 0 308.382 0.850 50 0 DCAARN CN(Cc1cnn(-c2ccccc2)n1)C[C@H](O)Cn1cccn1 ZINC000044975341 415240625 /nfs/dbraw/zinc/24/06/25/415240625.db2.gz GQNDAFMKSJKNDX-INIZCTEOSA-N 0 0 312.377 0.957 50 0 DCAARN CS(=O)(=O)NCCNC(=O)NCc1ccc(Cl)cc1 ZINC000045652651 415250087 /nfs/dbraw/zinc/25/00/87/415250087.db2.gz XWGPWXYSZXIFFQ-UHFFFAOYSA-N 0 0 305.787 0.688 50 0 DCAARN C[C@@H](CNC(=O)Cn1ccc(C(F)(F)F)n1)N1CCOCC1 ZINC000046269344 415259592 /nfs/dbraw/zinc/25/95/92/415259592.db2.gz GVUPSUSJDCNIIZ-JTQLQIEISA-N 0 0 320.315 0.739 50 0 DCAARN Cc1ccc([C@]2(C)CC(=O)N(CCC(=O)NC(N)=O)C2=O)cc1 ZINC000270454983 415260124 /nfs/dbraw/zinc/26/01/24/415260124.db2.gz VRTBZIVUCPHYAG-INIZCTEOSA-N 0 0 317.345 0.597 50 0 DCAARN CCc1cccc(N2C[C@@H](C(=O)N(C)CC(N)=O)CC2=O)c1 ZINC000046980108 415263171 /nfs/dbraw/zinc/26/31/71/415263171.db2.gz OFXGLSYAFBAFKR-LBPRGKRZSA-N 0 0 303.362 0.546 50 0 DCAARN O=C(NCCNc1ncccn1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000047105725 415265776 /nfs/dbraw/zinc/26/57/76/415265776.db2.gz VCUFZMNPKFKHIW-LBPRGKRZSA-N 0 0 317.393 0.796 50 0 DCAARN CC(=O)N[C@@H](C(=O)NCc1cccnc1-n1cncn1)C(C)C ZINC000047123066 415265967 /nfs/dbraw/zinc/26/59/67/415265967.db2.gz NZTISJXHUMFYSE-CYBMUJFWSA-N 0 0 316.365 0.439 50 0 DCAARN CC1CCN(S(=O)(=O)N(CC(N)=O)C2CCCC2)CC1 ZINC000047281710 415267436 /nfs/dbraw/zinc/26/74/36/415267436.db2.gz XBDVLLGPUUKJKQ-UHFFFAOYSA-N 0 0 303.428 0.693 50 0 DCAARN COc1ccccc1CNC(=O)N1CCCN(CC(N)=O)CC1 ZINC000047672057 415280241 /nfs/dbraw/zinc/28/02/41/415280241.db2.gz PXDSPIZHMWLJCS-UHFFFAOYSA-N 0 0 320.393 0.398 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC000332179565 415281307 /nfs/dbraw/zinc/28/13/07/415281307.db2.gz WEUDTYVRLOTQCM-IVZWLZJFSA-N 0 0 310.366 0.866 50 0 DCAARN Cc1ccc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)s1 ZINC000044457609 415220419 /nfs/dbraw/zinc/22/04/19/415220419.db2.gz CVCYUZWBRLKENZ-VIFPVBQESA-N 0 0 309.434 0.770 50 0 DCAARN CN1CC[C@@H](C(=O)N2CCN(Cc3cccnc3)CC2)CC1=O ZINC000044365794 415221736 /nfs/dbraw/zinc/22/17/36/415221736.db2.gz LYVRQERUQDUYOL-OAHLLOKOSA-N 0 0 316.405 0.594 50 0 DCAARN O=C(NC[C@@H](O)c1ccc(O)cc1)C(=O)Nc1ccccc1O ZINC000044890678 415229241 /nfs/dbraw/zinc/22/92/41/415229241.db2.gz FJKKIRCYLCCUDW-CQSZACIVSA-N 0 0 316.313 0.886 50 0 DCAARN O=C(Cc1noc(C(=O)NC2CCCC2)n1)N1CCOCC1 ZINC000044889851 415229463 /nfs/dbraw/zinc/22/94/63/415229463.db2.gz IOLIJFUEUVBPAQ-UHFFFAOYSA-N 0 0 308.338 0.143 50 0 DCAARN CS(=O)(=O)NCCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000044916127 415231148 /nfs/dbraw/zinc/23/11/48/415231148.db2.gz MPADYOPNJRSDFM-QMMMGPOBSA-N 0 0 302.318 0.727 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)NCCc2cccnc2)cc1 ZINC000048302187 415289379 /nfs/dbraw/zinc/28/93/79/415289379.db2.gz SULOMACMXZZYML-UHFFFAOYSA-N 0 0 319.386 0.962 50 0 DCAARN CCS(=O)(=O)NCCNC(=O)[C@H](C)OCC(F)(F)F ZINC000048302920 415289822 /nfs/dbraw/zinc/28/98/22/415289822.db2.gz SIASHKNHTPWIRS-ZETCQYMHSA-N 0 0 306.306 0.009 50 0 DCAARN O=C(CCCNC(=O)OCc1ccccc1)N1CCNC(=O)C1 ZINC000048401160 415290987 /nfs/dbraw/zinc/29/09/87/415290987.db2.gz ITCIUBZHNNOCMY-UHFFFAOYSA-N 0 0 319.361 0.651 50 0 DCAARN Cc1ccc(NS(=O)(=O)CCNS(C)(=O)=O)cc1F ZINC000049335165 415303764 /nfs/dbraw/zinc/30/37/64/415303764.db2.gz PDRBFRGYQKAGCX-UHFFFAOYSA-N 0 0 310.372 0.425 50 0 DCAARN CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000049649474 415308021 /nfs/dbraw/zinc/30/80/21/415308021.db2.gz JAJQYWQHKQUGOD-UHFFFAOYSA-N 0 0 323.418 0.532 50 0 DCAARN CCc1nccc([C@H]2CC(=O)Nc3n[nH]c(C(=O)NC)c32)n1 ZINC000065386492 415357521 /nfs/dbraw/zinc/35/75/21/415357521.db2.gz HEIDJTSHGGBGJU-SSDOTTSWSA-N 0 0 300.322 0.596 50 0 DCAARN COC(=O)C1=C(C)NC(=S)N[C@@H]1c1c(OC)ncnc1OC ZINC000057531511 415338336 /nfs/dbraw/zinc/33/83/36/415338336.db2.gz VABYANJLSUQUIS-VIFPVBQESA-N 0 0 324.362 0.460 50 0 DCAARN COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCNC(=O)C2)c1 ZINC000057435059 415338662 /nfs/dbraw/zinc/33/86/62/415338662.db2.gz OITCYYPFTRKYMH-LLVKDONJSA-N 0 0 321.377 0.313 50 0 DCAARN CN1CCN(C(=O)C2=NNC(=O)CC2)[C@H](c2ccccc2)C1 ZINC000065608187 415357866 /nfs/dbraw/zinc/35/78/66/415357866.db2.gz KXPNMLXKIQECHT-AWEZNQCLSA-N 0 0 300.362 0.768 50 0 DCAARN CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)CO)C2 ZINC000071405797 415407635 /nfs/dbraw/zinc/40/76/35/415407635.db2.gz NIRZGYCEMGHFOV-UHFFFAOYSA-N 0 0 313.361 0.482 50 0 DCAARN CN1C(=O)CO[C@@H](C(=O)N2CCOCC2)[C@H]1c1cccc(F)c1 ZINC000072241696 415407664 /nfs/dbraw/zinc/40/76/64/415407664.db2.gz LZZIJJSRWFKBKG-HUUCEWRRSA-N 0 0 322.336 0.583 50 0 DCAARN CCS(=O)(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 ZINC000072129399 415409209 /nfs/dbraw/zinc/40/92/09/415409209.db2.gz TWLHNVGRPRAIAD-UHFFFAOYSA-N 0 0 320.374 0.540 50 0 DCAARN CCCCN(CCN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000066559268 415360608 /nfs/dbraw/zinc/36/06/08/415360608.db2.gz VMRNCLKWZNEULG-ZDUSSCGKSA-N 0 0 302.440 0.898 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccccc1-n1cccn1 ZINC000067359650 415376036 /nfs/dbraw/zinc/37/60/36/415376036.db2.gz NEIBSSQNUHXJTP-NSHDSACASA-N 0 0 313.317 0.087 50 0 DCAARN O=c1c2cnc3nc(-c4ccncc4)nn3c2ccn1CCCO ZINC000067631009 415380070 /nfs/dbraw/zinc/38/00/70/415380070.db2.gz QOONOUIYMCRXOT-UHFFFAOYSA-N 0 0 322.328 0.884 50 0 DCAARN CS(=O)(=O)N1CCO[C@H](CNC(=O)CCC2CCCC2)C1 ZINC000067724362 415383915 /nfs/dbraw/zinc/38/39/15/415383915.db2.gz DKBGVMJMMVSOOQ-CYBMUJFWSA-N 0 0 318.439 0.733 50 0 DCAARN Cc1[nH]c2c(c1C(=O)N1CCN(C)[C@H](C(=O)[O-])C1)C(=O)CCC2 ZINC000067896137 415390587 /nfs/dbraw/zinc/39/05/87/415390587.db2.gz KCXHEXWXWMTAKW-NSHDSACASA-N 0 0 319.361 0.683 50 0 DCAARN C/C=C/C(=O)Nc1ccc(-n2nnn(CCOC)c2=O)cc1 ZINC000075163201 415441752 /nfs/dbraw/zinc/44/17/52/415441752.db2.gz AZGRIPUIKMJNCL-ONEGZZNKSA-N 0 0 303.322 0.590 50 0 DCAARN O=C(NCCO)c1nnn(-c2ccc(Br)cc2)n1 ZINC000075163756 415443018 /nfs/dbraw/zinc/44/30/18/415443018.db2.gz GESBOTJWAIIOAZ-UHFFFAOYSA-N 0 0 312.127 0.147 50 0 DCAARN O=C(NCc1cccnc1)c1nnn2c1c(=O)[nH]c1ccccc12 ZINC000075532213 415446039 /nfs/dbraw/zinc/44/60/39/415446039.db2.gz VSXLICRYUHDTEI-UHFFFAOYSA-N 0 0 320.312 0.896 50 0 DCAARN O=C(c1ccn(-c2cccc(F)c2)n1)N1CCN(CCO)CC1 ZINC000075572794 415446722 /nfs/dbraw/zinc/44/67/22/415446722.db2.gz MXPKRFIIAXYYNL-UHFFFAOYSA-N 0 0 318.352 0.762 50 0 DCAARN CCc1nc2c(s1)c(C)nn(CC(=O)N1CCOCC1)c2=O ZINC000075551720 415447433 /nfs/dbraw/zinc/44/74/33/415447433.db2.gz DOVIYMYNJOUSRV-UHFFFAOYSA-N 0 0 322.390 0.583 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)c2ccc3nnc(C)n3c2)CC1 ZINC000075606106 415449884 /nfs/dbraw/zinc/44/98/84/415449884.db2.gz KCFYWGHHRKZYLD-AWEZNQCLSA-N 0 0 317.393 0.566 50 0 DCAARN NS(=O)(=O)CCCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000076016657 415452880 /nfs/dbraw/zinc/45/28/80/415452880.db2.gz CCRRKDXFGPPJFB-DTWKUNHWSA-N 0 0 318.345 0.863 50 0 DCAARN Cc1noc([C@H]2CCCN(C(=O)N[C@@H](C)Cn3cncn3)C2)n1 ZINC000332728923 415457968 /nfs/dbraw/zinc/45/79/68/415457968.db2.gz WMGHMJDKXVQOMQ-JQWIXIFHSA-N 0 0 319.369 0.947 50 0 DCAARN CNS(=O)(=O)C[C@@H]1CCCN1Cc1noc(C(C)C)n1 ZINC000332731323 415463127 /nfs/dbraw/zinc/46/31/27/415463127.db2.gz VUMNTRZHMZNHNL-JTQLQIEISA-N 0 0 302.400 0.707 50 0 DCAARN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000332770915 415468879 /nfs/dbraw/zinc/46/88/79/415468879.db2.gz ASMPDLJUFAUGAY-TUAOUCFPSA-N 0 0 320.397 0.115 50 0 DCAARN COCCOc1ccc(S(=O)(=O)N2CCN[C@H](C)C2)cc1 ZINC000088059713 415514843 /nfs/dbraw/zinc/51/48/43/415514843.db2.gz LPVKSKAHOFVDGJ-GFCCVEGCSA-N 0 0 314.407 0.694 50 0 DCAARN C[C@@H]1CN(C)CCN1C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000089938526 415525877 /nfs/dbraw/zinc/52/58/77/415525877.db2.gz WTNUODSZEGONNW-GFCCVEGCSA-N 0 0 302.378 0.992 50 0 DCAARN C[C@H](O)CN1CC2(CCC1=O)CCN(S(C)(=O)=O)CC2 ZINC000091973935 415539280 /nfs/dbraw/zinc/53/92/80/415539280.db2.gz DDAZFQSABHKIAL-NSHDSACASA-N 0 0 304.412 0.031 50 0 DCAARN Cc1cccc2nc(Cn3ncc(N(C)C)cc3=O)cc(=O)n12 ZINC000095370547 415552473 /nfs/dbraw/zinc/55/24/73/415552473.db2.gz WONMCFOIQNKIMK-UHFFFAOYSA-N 0 0 311.345 0.674 50 0 DCAARN Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@H+](CC(=O)[O-])C1 ZINC000095363749 415555096 /nfs/dbraw/zinc/55/50/96/415555096.db2.gz REVROGVBQJEZRY-LLVKDONJSA-N 0 0 304.354 0.324 50 0 DCAARN COCCc1noc(CN2CCC3(CC2)OCCC[C@@H]3O)n1 ZINC000095380699 415556237 /nfs/dbraw/zinc/55/62/37/415556237.db2.gz VHEXQYBKCITUMD-LBPRGKRZSA-N 0 0 311.382 0.764 50 0 DCAARN COCCN1CCC[C@]2(CCN(c3cc(=O)[nH]cn3)C2)C1=O ZINC000095378609 415556893 /nfs/dbraw/zinc/55/68/93/415556893.db2.gz MPMRGLFKKSFQHY-OAHLLOKOSA-N 0 0 306.366 0.235 50 0 DCAARN Cc1nc(C)n(CCNC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)n1 ZINC000095387286 415557771 /nfs/dbraw/zinc/55/77/71/415557771.db2.gz GMKKNJKNNIXRCG-ZDUSSCGKSA-N 0 0 322.413 0.405 50 0 DCAARN NC(=O)c1cc([C@H]2CCCN(C(=O)NC[C@@H]3CCCO3)C2)n[nH]1 ZINC000095410057 415559920 /nfs/dbraw/zinc/55/99/20/415559920.db2.gz JAZCUTKJNAJYRA-QWRGUYRKSA-N 0 0 321.381 0.577 50 0 DCAARN CC(=O)N[C@@H](C(=O)N1CCC[C@@H](NC(C)=O)C1)C1CCCC1 ZINC000095950671 415561891 /nfs/dbraw/zinc/56/18/91/415561891.db2.gz RFKGJKZQBKGIHU-HUUCEWRRSA-N 0 0 309.410 0.808 50 0 DCAARN NC(=O)N1CCC[C@@H]1COC(=O)c1ccnc(-n2ccnc2)c1 ZINC000095942878 415563484 /nfs/dbraw/zinc/56/34/84/415563484.db2.gz WTYVASMMXVDOIO-GFCCVEGCSA-N 0 0 315.333 0.967 50 0 DCAARN CN(C)c1cccc(C(=O)NCCNC(=O)c2ccn[nH]2)c1 ZINC000096003325 415567952 /nfs/dbraw/zinc/56/79/52/415567952.db2.gz TYNBZTRNVAQDGH-UHFFFAOYSA-N 0 0 301.350 0.636 50 0 DCAARN Cc1cc(CN(C)C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)no1 ZINC000103437629 415616851 /nfs/dbraw/zinc/61/68/51/415616851.db2.gz BVBHDIABFNRBMK-WAYWQWQTSA-N 0 0 318.333 0.052 50 0 DCAARN COC(=O)CCNC(=O)[C@@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000106581314 415642794 /nfs/dbraw/zinc/64/27/94/415642794.db2.gz DAXIFEUULGYKDC-MBNYWOFBSA-N 0 0 300.399 0.800 50 0 DCAARN CC(=O)N1CC(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000097105282 415580739 /nfs/dbraw/zinc/58/07/39/415580739.db2.gz QTEISZOEJDGIMU-VIFPVBQESA-N 0 0 317.345 0.673 50 0 DCAARN CC(C)N(Cc1nccn1C)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C ZINC000097155683 415586431 /nfs/dbraw/zinc/58/64/31/415586431.db2.gz FCBKMNZICSFHKS-NSHDSACASA-N 0 0 321.381 0.440 50 0 DCAARN CN(C)S(=O)(=O)CC(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000097107266 415586482 /nfs/dbraw/zinc/58/64/82/415586482.db2.gz PEGCCPMKIGEPGM-RYUDHWBXSA-N 0 0 300.355 0.689 50 0 DCAARN O=C1CC[C@H](NS(=O)(=O)N2CCC[C@@H]2c2ccco2)CN1 ZINC000107140027 415660086 /nfs/dbraw/zinc/66/00/86/415660086.db2.gz XFSZJCBZJIQNNC-WDEREUQCSA-N 0 0 313.379 0.530 50 0 DCAARN COCCOC1CCN(C(=O)C(C)(C)N2CCOCC2)CC1 ZINC000353812194 415667945 /nfs/dbraw/zinc/66/79/45/415667945.db2.gz HYXXYWVRJOXALD-UHFFFAOYSA-N 0 0 314.426 0.751 50 0 DCAARN O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1CCCC[C@H]1CO ZINC000108164070 415676535 /nfs/dbraw/zinc/67/65/35/415676535.db2.gz JRMQEMWOOWXSDX-NWDGAFQWSA-N 0 0 315.395 0.380 50 0 DCAARN COC(=O)c1ccc(CN2CCN(C(=O)[C@H](C)O)CC2)cc1 ZINC000152996397 415972739 /nfs/dbraw/zinc/97/27/39/415972739.db2.gz AFRFYFPAWWZVIG-LBPRGKRZSA-N 0 0 306.362 0.498 50 0 DCAARN O=C(Nc1cccc(-n2cnnn2)c1)N[C@@H]1CCCNC1=O ZINC000299761851 416063983 /nfs/dbraw/zinc/06/39/83/416063983.db2.gz AXBBMUFLZXQWNF-LLVKDONJSA-N 0 0 301.310 0.062 50 0 DCAARN O=C(NCc1ccc2c(c1)CCCO2)[C@@H]1CCC(=O)NC(=O)N1 ZINC000299759947 416064598 /nfs/dbraw/zinc/06/45/98/416064598.db2.gz PQZXMYMAHDTYNT-LBPRGKRZSA-N 0 0 317.345 0.616 50 0 DCAARN Cc1ncsc1CCC(=O)N1CCN(c2nc[nH]n2)CC1 ZINC000299774454 416065339 /nfs/dbraw/zinc/06/53/39/416065339.db2.gz IDUBCAGPKUSAOQ-UHFFFAOYSA-N 0 0 306.395 0.851 50 0 DCAARN CS(=O)(=O)NCCC(=O)NCc1ccc2c(c1)CCCO2 ZINC000299783207 416067954 /nfs/dbraw/zinc/06/79/54/416067954.db2.gz ZFXHABIHNNYEKR-UHFFFAOYSA-N 0 0 312.391 0.567 50 0 DCAARN CCCN1C[C@H](C(=O)NCc2nc(C)cc(=O)[nH]2)CCC1=O ZINC000299776050 416068030 /nfs/dbraw/zinc/06/80/30/416068030.db2.gz KCVWBABJTMCRJI-LLVKDONJSA-N 0 0 306.366 0.755 50 0 DCAARN COCCOCC(=O)N[C@@H](C)c1nc(-c2ccccn2)no1 ZINC000299799335 416071984 /nfs/dbraw/zinc/07/19/84/416071984.db2.gz RQNQRHAYGOXDSP-JTQLQIEISA-N 0 0 306.322 0.972 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)[C@H](c2ccccc2)CO1 ZINC000182243872 416216235 /nfs/dbraw/zinc/21/62/35/416216235.db2.gz RPNMUJOVQPBPNO-OCCSQVGLSA-N 0 0 316.361 0.570 50 0 DCAARN CC(C)C[C@H]1C(=O)NCCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000188976519 416264295 /nfs/dbraw/zinc/26/42/95/416264295.db2.gz MIGRUNLADNHKEL-ZDUSSCGKSA-N 0 0 301.350 0.945 50 0 DCAARN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCc1cn2c(n1)CCCC2 ZINC000331531416 416324203 /nfs/dbraw/zinc/32/42/03/416324203.db2.gz UHAYKSSNKRQPRF-CHWSQXEVSA-N 0 0 319.409 0.933 50 0 DCAARN Cc1ccc2[nH]c(CN(C)C(=O)c3cc(=O)[nH]c(=O)[nH]3)nc2c1 ZINC000215459870 416326987 /nfs/dbraw/zinc/32/69/87/416326987.db2.gz UYOIVYAPCNNSSX-UHFFFAOYSA-N 0 0 313.317 0.520 50 0 DCAARN COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCC[NH2+][C@H]1C ZINC000239882226 416329899 /nfs/dbraw/zinc/32/98/99/416329899.db2.gz DAOZRIMHJKOTOH-JGVFFNPUSA-N 0 0 319.408 0.349 50 0 DCAARN COC(=O)c1c(C)[nH]c(C(=O)Cn2cnc(N)c(C)c2=O)c1C ZINC000239366886 416329960 /nfs/dbraw/zinc/32/99/60/416329960.db2.gz AGNGDPPTJYULHE-UHFFFAOYSA-N 0 0 318.333 0.748 50 0 DCAARN CC(=O)N[C@H](C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000241338591 416330128 /nfs/dbraw/zinc/33/01/28/416330128.db2.gz MCBQWYIKWLTNQD-UMNHJUIQSA-N 0 0 313.398 0.883 50 0 DCAARN C[C@H](C(=O)NC1CCCCC1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000241719924 416330247 /nfs/dbraw/zinc/33/02/47/416330247.db2.gz QQUCQCWQLFPQTP-ZYHUDNBSSA-N 0 0 308.382 0.060 50 0 DCAARN Cc1nc([C@@H]2CCCN(CC(=O)Nc3ccn(C)n3)C2)n[nH]1 ZINC000244678832 416330834 /nfs/dbraw/zinc/33/08/34/416330834.db2.gz ILCBTTPJKHJSLK-LLVKDONJSA-N 0 0 303.370 0.665 50 0 DCAARN O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000244678727 416330943 /nfs/dbraw/zinc/33/09/43/416330943.db2.gz IIXJADMPXKNUCK-RBSFLKMASA-N 0 0 317.389 0.850 50 0 DCAARN COCCn1nnnc1[C@@H]1CN(CCCc2ccco2)CCO1 ZINC000244748658 416330955 /nfs/dbraw/zinc/33/09/55/416330955.db2.gz OLXZZWATWDHWPB-AWEZNQCLSA-N 0 0 321.381 0.919 50 0 DCAARN CCn1cc(C(=O)N[C@H]2C[C@@H](c3nnc(CO)n3C)C2)cn1 ZINC000244741993 416331006 /nfs/dbraw/zinc/33/10/06/416331006.db2.gz OAFPFTIFXBBQDE-JGZJWPJOSA-N 0 0 304.354 0.200 50 0 DCAARN CC(=O)N1CC[C@@H](NC(=O)Cc2ccc(N(C)C)cc2)[C@H](O)C1 ZINC000244795057 416331035 /nfs/dbraw/zinc/33/10/35/416331035.db2.gz QYRYTKZJRDGZIX-HZPDHXFCSA-N 0 0 319.405 0.393 50 0 DCAARN Cc1nonc1C(=O)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000244773887 416331198 /nfs/dbraw/zinc/33/11/98/416331198.db2.gz PIHRYNIBKXDPKB-KGYLQXTDSA-N 0 0 302.334 0.885 50 0 DCAARN CCCCNC(=O)[C@H](C)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000583652272 416482374 /nfs/dbraw/zinc/48/23/74/416482374.db2.gz DIWPSQKXRHLTRK-LBPRGKRZSA-N 0 0 308.430 0.536 50 0 DCAARN Cc1nc(N)sc1CC(=O)N1CCN(CCCCO)CC1 ZINC000584889739 416516192 /nfs/dbraw/zinc/51/61/92/416516192.db2.gz PTFHSSNCLMPQRC-UHFFFAOYSA-N 0 0 312.439 0.493 50 0 DCAARN CCNc1nnc(S(=O)(=O)Cc2ccnc(OC)c2)s1 ZINC000585114204 416517731 /nfs/dbraw/zinc/51/77/31/416517731.db2.gz XJIPBCMKBLJSPQ-UHFFFAOYSA-N 0 0 314.392 1.347 50 0 DCAARN Cn1c(NC(=O)c2ccc(N3CCCC3)nn2)nnc1C1CC1 ZINC000585113335 416517780 /nfs/dbraw/zinc/51/77/80/416517780.db2.gz PMBALTLLLCSWSF-UHFFFAOYSA-N 0 0 313.365 1.335 50 0 DCAARN Cn1c(NC(=O)C2(S(C)(=O)=O)CCCC2)nnc1C1CC1 ZINC000585113311 416518517 /nfs/dbraw/zinc/51/85/17/416518517.db2.gz GAAQSAYGSLRYBH-UHFFFAOYSA-N 0 0 312.395 0.988 50 0 DCAARN COC(=O)[C@](C)(CO)NS(=O)(=O)c1ccc(OC)cc1C ZINC000585114677 416518744 /nfs/dbraw/zinc/51/87/44/416518744.db2.gz QWNXPGRDWBKKSA-ZDUSSCGKSA-N 0 0 317.363 0.206 50 0 DCAARN COc1nccc(CN2CCN(C)[C@H](c3nc(C)no3)C2)n1 ZINC000585117627 416518861 /nfs/dbraw/zinc/51/88/61/416518861.db2.gz OFFZCNOTDMLPFW-LBPRGKRZSA-N 0 0 304.354 0.665 50 0 DCAARN Cc1noc2nc(C)cc(C(=O)NCCn3cnccc3=O)c12 ZINC000585130523 416519977 /nfs/dbraw/zinc/51/99/77/416519977.db2.gz STZFXRPMPALYAV-UHFFFAOYSA-N 0 0 313.317 0.826 50 0 DCAARN O=c1[nH]c(CNS(=O)(=O)N2CCCC2)nc2ccccc21 ZINC000632527329 417145550 /nfs/dbraw/zinc/14/55/50/417145550.db2.gz SKVYPFKDARWRSY-UHFFFAOYSA-N 0 0 308.363 0.766 50 0 DCAARN Cc1cc(C)nc(O[C@@H]2CCN(C(=O)N3CCNC3=O)C2)n1 ZINC000575413849 417535950 /nfs/dbraw/zinc/53/59/50/417535950.db2.gz DVTWSAAHZSNEQC-LLVKDONJSA-N 0 0 305.338 0.692 50 0 DCAARN CCN(CC)C(=O)N1CC(n2cc(C(=O)N3CCCC3)nn2)C1 ZINC000575552250 417539578 /nfs/dbraw/zinc/53/95/78/417539578.db2.gz WTVJYMFPUIINAB-UHFFFAOYSA-N 0 0 320.397 0.833 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)c2cscn2)C[C@H]1c1nc(C)no1 ZINC000575546300 417539844 /nfs/dbraw/zinc/53/98/44/417539844.db2.gz UVUDWHLYCJUZNN-RKDXNWHRSA-N 0 0 321.362 0.436 50 0 DCAARN Cc1cc(O[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nc(C)n1 ZINC000575610702 417540610 /nfs/dbraw/zinc/54/06/10/417540610.db2.gz XKRFJYGRDQQFSB-GFCCVEGCSA-N 0 0 314.411 0.743 50 0 DCAARN O=C(Nc1cnccn1)C1CN(c2cc(-n3cccn3)ncn2)C1 ZINC000575609411 417541677 /nfs/dbraw/zinc/54/16/77/417541677.db2.gz LCBHKOZSVREAKF-UHFFFAOYSA-N 0 0 322.332 0.527 50 0 DCAARN Cc1nnsc1C(=O)NCc1cn(-c2cccnc2)nn1 ZINC000575618353 417541723 /nfs/dbraw/zinc/54/17/23/417541723.db2.gz LXTRWEPNSPQLKE-UHFFFAOYSA-N 0 0 301.335 0.752 50 0 DCAARN O=C(NCCn1nc2c(cc1=O)CCCC2)c1ccc[nH]c1=O ZINC000575608903 417541927 /nfs/dbraw/zinc/54/19/27/417541927.db2.gz PWYFTWPOEPRTGD-UHFFFAOYSA-N 0 0 314.345 0.653 50 0 DCAARN Cn1nnnc1[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000575313712 417528198 /nfs/dbraw/zinc/52/81/98/417528198.db2.gz AMLDPANUJHPYRF-GFCCVEGCSA-N 0 0 301.350 0.995 50 0 DCAARN CC(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000644571206 417621477 /nfs/dbraw/zinc/62/14/77/417621477.db2.gz HDILTQHCWHGUKH-KKUMJFAQSA-N 0 0 314.426 0.247 50 0 DCAARN CCNC(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000187732815 545915900 /nfs/dbraw/zinc/91/59/00/545915900.db2.gz SLNSDWSBDUTDJI-UHFFFAOYSA-N 0 0 312.395 0.186 50 0 DCAARN CC1(C)O[C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O1 ZINC000039582347 276157062 /nfs/dbraw/zinc/15/70/62/276157062.db2.gz HEIRVZOWRJGLTR-ZHZXCYKASA-N 0 0 324.329 0.442 50 0 DCAARN CC(C)C(=O)N1CCN(c2ncccc2S(N)(=O)=O)CC1 ZINC000069597824 277331585 /nfs/dbraw/zinc/33/15/85/277331585.db2.gz YYTSUBVPZSGRTA-UHFFFAOYSA-N 0 0 312.395 0.034 50 0 DCAARN C[C@@H]1CN(C(=O)c2cc(N(C)C)nc(N(C)C)n2)C[C@@H](C)O1 ZINC000001742470 288018783 /nfs/dbraw/zinc/01/87/83/288018783.db2.gz RYYLUUBRGYCMRI-GHMZBOCLSA-N 0 0 307.398 0.858 50 0 DCAARN CC(=O)O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C)OC(C)=O ZINC000019911872 278221837 /nfs/dbraw/zinc/22/18/37/278221837.db2.gz XNZDDCYYLSDAMR-ZPAAZFHLSA-N 0 0 318.322 0.753 50 0 DCAARN CC(=O)c1cccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000006719399 278251142 /nfs/dbraw/zinc/25/11/42/278251142.db2.gz JRAMKMPCAPOWEP-NWDGAFQWSA-N 0 0 310.400 0.749 50 0 DCAARN C[C@@H]1NC(=O)[C@H]2CN(C(=O)Nc3ccccc3)CCN2C1=O ZINC000014542876 279029442 /nfs/dbraw/zinc/02/94/42/279029442.db2.gz DWAYTEUKZCETKW-CMPLNLGQSA-N 0 0 302.334 0.250 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)OC[C@H]1COc3ccccc3[C@H]21 ZINC000001401550 279302381 /nfs/dbraw/zinc/30/23/81/279302381.db2.gz FZDZCSYWZKEFFE-BXKDBHETSA-N 0 0 300.314 0.617 50 0 biogenic DCAARN CC[C@H]1CCCCN1S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O ZINC000000092860 288198728 /nfs/dbraw/zinc/19/87/28/288198728.db2.gz HCGDXVQCAGBSQS-VIFPVBQESA-N 0 0 301.368 0.325 50 0 DCAARN C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000095409804 289086337 /nfs/dbraw/zinc/08/63/37/289086337.db2.gz WYHIIXVIQALZBS-SUZMYJTESA-N 0 0 315.329 0.314 50 0 DCAARN Cc1ccn(-c2ccc(N3CCN(S(C)(=O)=O)CC3)nn2)n1 ZINC000021774083 292729659 /nfs/dbraw/zinc/72/96/59/292729659.db2.gz XTGSUFJSOYQVBT-UHFFFAOYSA-N 0 0 322.394 0.052 50 0 DCAARN Cc1nc(N2CCNC(=O)C2)nc2cc(S(C)(=O)=O)ccc12 ZINC000067588942 293298206 /nfs/dbraw/zinc/29/82/06/293298206.db2.gz XVKLTKYUJGZIBG-UHFFFAOYSA-N 0 0 320.374 0.278 50 0 DCAARN Cn1cc([C@]2(C)CN(S(=O)(=O)c3ccccn3)CCO2)cn1 ZINC000133701250 294308564 /nfs/dbraw/zinc/30/85/64/294308564.db2.gz QFWZDJHKCCQYHU-AWEZNQCLSA-N 0 0 322.390 0.751 50 0 DCAARN COc1ccc(OCC(=O)NC(=O)NC(C)(C)C)c(C(N)=O)c1 ZINC000051970818 295185356 /nfs/dbraw/zinc/18/53/56/295185356.db2.gz MQCAPLLONYFSKZ-UHFFFAOYSA-N 0 0 323.349 0.797 50 0 DCAARN O=C(COc1ncccn1)NCc1nccc(N2CCCC2)n1 ZINC000096120760 295528187 /nfs/dbraw/zinc/52/81/87/295528187.db2.gz DRQUGLMPUYOIFJ-UHFFFAOYSA-N 0 0 314.349 0.562 50 0 DCAARN C[C@H]1COCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000040511363 300348817 /nfs/dbraw/zinc/34/88/17/300348817.db2.gz AVIQUUNHXLQBJQ-JTQLQIEISA-N 0 0 310.375 0.981 50 0 DCAARN Cc1cc(NC(=O)Cn2cnnc2[S@](C)=O)n(C(C)(C)C)n1 ZINC000330734313 301349355 /nfs/dbraw/zinc/34/93/55/301349355.db2.gz URXMGWCFRWELSK-QFIPXVFZSA-N 0 0 324.410 0.914 50 0 DCAARN Cc1nnc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1 ZINC000102293221 302817385 /nfs/dbraw/zinc/81/73/85/302817385.db2.gz GNHBBGJJZQMTEP-RKDXNWHRSA-N 0 0 306.347 0.736 50 0 DCAARN CN(C)c1nc(N)nc(CN2CCC(NC(=O)C3CC3)CC2)n1 ZINC000030284281 331619044 /nfs/dbraw/zinc/61/90/44/331619044.db2.gz QYZHOQYZUZZWIV-UHFFFAOYSA-N 0 0 319.413 0.010 50 0 DCAARN CSC[C@](C)(O)CNC(=O)c1ccccc1-n1cnnn1 ZINC000072291774 331929632 /nfs/dbraw/zinc/92/96/32/331929632.db2.gz FYEYXJKVNDZZEU-CYBMUJFWSA-N 0 0 307.379 0.506 50 0 DCAARN CN(CC(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C)S(C)(=O)=O ZINC000075094486 331947606 /nfs/dbraw/zinc/94/76/06/331947606.db2.gz DODYQFHUUGSBBZ-SNVBAGLBSA-N 0 0 320.411 0.211 50 0 DCAARN CCN1CCN(C(=O)N[C@H](C)c2nncn2CCCOC)CC1 ZINC000534591430 334294502 /nfs/dbraw/zinc/29/45/02/334294502.db2.gz JKIQLZXOGBMWSG-CYBMUJFWSA-N 0 0 324.429 0.723 50 0 DCAARN O=S(=O)(NC[C@]1(O)CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000534637867 334310018 /nfs/dbraw/zinc/31/00/18/334310018.db2.gz QUHKVNLRHVEEAR-LBPRGKRZSA-N 0 0 306.334 0.358 50 0 DCAARN CC(=O)N1CCC[C@H](NS(=O)(=O)c2ccnn2C(C)C)C1 ZINC000534647292 334316283 /nfs/dbraw/zinc/31/62/83/334316283.db2.gz XOAGUVRSSCAFJQ-LBPRGKRZSA-N 0 0 314.411 0.753 50 0 DCAARN CC(C)[C@H](NS(=O)(=O)N1CCN(C)CC1)c1ccccn1 ZINC000534668480 334319618 /nfs/dbraw/zinc/31/96/18/334319618.db2.gz BCJJGCMAUIHTLW-AWEZNQCLSA-N 0 0 312.439 0.861 50 0 DCAARN CO[C@H]1COC[C@@H]1NC(=O)c1ccc2c(c1)ncn2CCO ZINC000534669597 334319642 /nfs/dbraw/zinc/31/96/42/334319642.db2.gz GTHHICGZQXFKTO-JSGCOSHPSA-N 0 0 305.334 0.172 50 0 DCAARN CS(=O)(=O)NCCC(=O)N1CCCC2(CCOCC2)C1 ZINC000583196734 337266345 /nfs/dbraw/zinc/26/63/45/337266345.db2.gz RHRCWYMUQJDCAR-UHFFFAOYSA-N 0 0 304.412 0.345 50 0 DCAARN CSCc1noc(CN2CC[C@H]3[C@H](C2)OCc2cnnn23)n1 ZINC000299788030 533880430 /nfs/dbraw/zinc/88/04/30/533880430.db2.gz QZFGOCNAJMHVJK-QWRGUYRKSA-N 0 0 322.394 0.870 50 0 DCAARN CSCC[C@@H](CO)NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000154768545 525538239 /nfs/dbraw/zinc/53/82/39/525538239.db2.gz QVXXZWGORSGZTJ-VIFPVBQESA-N 0 0 307.375 0.767 50 0 DCAARN Cc1nnnn1CCC(=O)NCCc1nc2c(s1)CCC2 ZINC000299799125 534874014 /nfs/dbraw/zinc/87/40/14/534874014.db2.gz QQESHVNMLARUSH-UHFFFAOYSA-N 0 0 306.395 0.676 50 0 DCAARN CC(C)NS(=O)(=O)NCCNC(=O)c1cc(F)ccc1F ZINC000276991752 527748703 /nfs/dbraw/zinc/74/87/03/527748703.db2.gz GWAKHVZBVMZVIT-UHFFFAOYSA-N 0 0 321.349 0.527 50 0 DCAARN CNC(=O)N[C@@H]1CCCN(c2cc(N3CCCC3)ncn2)C1 ZINC000065269238 545659893 /nfs/dbraw/zinc/65/98/93/545659893.db2.gz LLGQJNJFSZUPAA-GFCCVEGCSA-N 0 0 304.398 0.975 50 0 DCAARN Cc1noc(CO[C@@H]2CCCN(C(=O)Cn3ccnc3)C2)n1 ZINC000075876361 545677166 /nfs/dbraw/zinc/67/71/66/545677166.db2.gz CWPAABNCFODAQZ-GFCCVEGCSA-N 0 0 305.338 0.782 50 0 DCAARN CN1C[C@H](Nc2cnn(C)c(=O)c2Br)CCC1=O ZINC000077992451 545680206 /nfs/dbraw/zinc/68/02/06/545680206.db2.gz JHYHRRKCSPSHPU-SSDOTTSWSA-N 0 0 315.171 0.576 50 0 DCAARN CCN(C[C@@H]1CN([C@@H]2CCOC2=O)CCO1)c1cccnn1 ZINC000084774587 545704509 /nfs/dbraw/zinc/70/45/09/545704509.db2.gz ZAQRKRRRCJYRIO-CHWSQXEVSA-N 0 0 306.366 0.319 50 0 DCAARN CCN1CCN(Cc2cnc(NC[C@@H]3CCCO3)nc2)CC1=O ZINC000215784839 545937334 /nfs/dbraw/zinc/93/73/34/545937334.db2.gz CSOMMBDSPKBBLI-AWEZNQCLSA-N 0 0 319.409 0.732 50 0 DCAARN CN1C(=O)C[C@H](CNC(=O)C2=NNC(=O)CC2)c2ccccc21 ZINC000215755431 545937409 /nfs/dbraw/zinc/93/74/09/545937409.db2.gz BZMZGVSYSZZUQL-SNVBAGLBSA-N 0 0 314.345 0.519 50 0 DCAARN CO[C@@H]1COCC[C@H]1NC(=O)c1coc(CN2CCOCC2)c1 ZINC000222598193 545941411 /nfs/dbraw/zinc/94/14/11/545941411.db2.gz MCCIUYVTEDQZFV-HUUCEWRRSA-N 0 0 324.377 0.646 50 0 DCAARN Cn1c(=O)c(C(=O)N[C@@H]2COCC[C@H]2O)cc2c1CCCC2 ZINC000222960303 545942239 /nfs/dbraw/zinc/94/22/39/545942239.db2.gz YFDWAHXFFGAGQG-TZMCWYRMSA-N 0 0 306.362 0.144 50 0 DCAARN O=C(c1cccc(-c2nc[nH]n2)c1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000332786229 546060460 /nfs/dbraw/zinc/06/04/60/546060460.db2.gz TUUQLLBVAPZBNZ-OLZOCXBDSA-N 0 0 311.345 0.965 50 0 DCAARN Cc1nn(CCC(=O)N2CCO[C@@H](C(=O)N(C)C)C2)c(C)c1C ZINC000670439983 547090720 /nfs/dbraw/zinc/09/07/20/547090720.db2.gz ODFIRQSDCMTNHV-CQSZACIVSA-N 0 0 322.409 0.514 50 0 DCAARN CC1=NO[C@](C)(C(=O)NCc2cccnc2-n2cncn2)C1 ZINC000670444998 547093792 /nfs/dbraw/zinc/09/37/92/547093792.db2.gz CJMWPWVUUGYSSQ-AWEZNQCLSA-N 0 0 300.322 0.833 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)c3coc(CN)n3)nc2c1 ZINC000670456064 547097187 /nfs/dbraw/zinc/09/71/87/547097187.db2.gz FCXFEZRXCSYRBZ-UHFFFAOYSA-N 0 0 301.306 0.948 50 0 DCAARN CC(=O)N[C@@H](CCC(N)=O)c1nc(C)nn1-c1cccc(C)n1 ZINC000670464151 547099433 /nfs/dbraw/zinc/09/94/33/547099433.db2.gz KQUPXNDVEIPDHU-LBPRGKRZSA-N 0 0 316.365 0.722 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN(C)[C@@H](CCO)C2)c(C)c1 ZINC000670469739 547100595 /nfs/dbraw/zinc/10/05/95/547100595.db2.gz GGYBWCZBWQYCPZ-AWEZNQCLSA-N 0 0 312.435 0.991 50 0 DCAARN CN(C)C(=O)CN1CCCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC000670474332 547102588 /nfs/dbraw/zinc/10/25/88/547102588.db2.gz IKSXGVGIYBIRLK-AWEZNQCLSA-N 0 0 311.426 0.426 50 0 DCAARN Cc1ncc(CN2CC(N3C[C@H](C(=O)N(C)C)CC3=O)C2)o1 ZINC000685940450 548746998 /nfs/dbraw/zinc/74/69/98/548746998.db2.gz APPIUKNQTVEJIY-LLVKDONJSA-N 0 0 306.366 0.104 50 0 DCAARN Cc1cncc(C(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)c1 ZINC000685943011 548748116 /nfs/dbraw/zinc/74/81/16/548748116.db2.gz PZJLLRMCCFCAAB-OUCADQQQSA-N 0 0 315.377 0.803 50 0 DCAARN CN1CC[C@@H](C(=O)NCC2(C(F)(F)F)CCC2)S1(=O)=O ZINC000888092816 661152609 /nfs/dbraw/zinc/15/26/09/661152609.db2.gz TZMFCWGOYVMAQZ-QMMMGPOBSA-N 0 0 314.329 0.869 50 0 DCAARN Cc1cn(CC(=O)N2CC3CC2(C(N)=O)C3)nc1C(F)(F)F ZINC000888100414 661179138 /nfs/dbraw/zinc/17/91/38/661179138.db2.gz LGTNQGYATPKWLF-UHFFFAOYSA-N 0 0 316.283 0.687 50 0 DCAARN O=C([C@H]1COc2ccccc2O1)N1CC(Nc2ncccn2)C1 ZINC000238865560 665492790 /nfs/dbraw/zinc/49/27/90/665492790.db2.gz LRQJUEYSKJVJGF-CQSZACIVSA-N 0 0 312.329 0.939 50 0 DCAARN Cc1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)cn1 ZINC000257177265 659136232 /nfs/dbraw/zinc/13/62/32/659136232.db2.gz DPBIIVPDCNRYDH-ZSBIGDGJSA-N 0 0 324.406 0.470 50 0 DCAARN Cc1nc(C)n(CCCNC(=O)[C@H](C)N2CCN(C)CC2)n1 ZINC000426647858 661687398 /nfs/dbraw/zinc/68/73/98/661687398.db2.gz BROJFJZZJIGKIB-LBPRGKRZSA-N 0 0 308.430 0.037 50 0 DCAARN CCS(=O)(=O)C1CCN(CC(=O)NC2CCOCC2)CC1 ZINC000193259670 662857096 /nfs/dbraw/zinc/85/70/96/662857096.db2.gz ICPYBZVPSVPYNI-UHFFFAOYSA-N 0 0 318.439 0.181 50 0 DCAARN [NH3+][C@@]1(C(=O)[O-])CCN(Cc2cccc(Cn3cccn3)c2)C1 ZINC000067821867 663362102 /nfs/dbraw/zinc/36/21/02/663362102.db2.gz ZCJVFKOFWAWNPE-INIZCTEOSA-N 0 0 300.362 0.919 50 0 DCAARN Cn1nnc2cc(C(=O)NC[C@@H]3CN(C4CC4)CCO3)ccc21 ZINC000115164877 668141524 /nfs/dbraw/zinc/14/15/24/668141524.db2.gz MGLMQYASAKXPNO-CYBMUJFWSA-N 0 0 315.377 0.561 50 0 DCAARN CNS(=O)(=O)CCNC(=O)c1csc(-c2ccoc2)n1 ZINC000188970348 670070250 /nfs/dbraw/zinc/07/02/50/670070250.db2.gz BSMLUPAARXXMGW-UHFFFAOYSA-N 0 0 315.376 0.682 50 0 DCAARN CC(C)Cc1cc(C(=O)N2CCS(=O)(=O)CC2)[nH]c(=O)n1 ZINC000952974592 685600146 /nfs/dbraw/zinc/60/01/46/685600146.db2.gz FCVOMLOLWBVHRV-UHFFFAOYSA-N 0 0 313.379 0.251 50 0 DCAARN CCN(C)S(=O)(=O)N1CCC[C@@H](CNC(=O)C2CCC2)C1 ZINC000952975715 685600276 /nfs/dbraw/zinc/60/02/76/685600276.db2.gz ZRDXOAMDXNPHJA-LBPRGKRZSA-N 0 0 317.455 0.811 50 0 DCAARN COC1(c2cnnn2C)CN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000952993100 685603818 /nfs/dbraw/zinc/60/38/18/685603818.db2.gz BXMNXIBKXDPWGG-UHFFFAOYSA-N 0 0 322.390 0.670 50 0 DCAARN C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(F)cc(F)c3)CN2C1=O ZINC000014540939 685047917 /nfs/dbraw/zinc/04/79/17/685047917.db2.gz ILLHBKIVSWXXAC-QILRFPOHSA-N 0 0 323.299 0.182 50 0 DCAARN Cc1ccc(C(=O)N2CCN3C(=O)[C@H](C)NC(=O)[C@H]3C2)cc1F ZINC000014754858 685048346 /nfs/dbraw/zinc/04/83/46/685048346.db2.gz IETFCSMJUPIYRF-GXFFZTMASA-N 0 0 319.336 0.305 50 0 DCAARN CC(=O)N[C@@H](CCC(N)=O)c1nnc(Cc2ccccc2)[nH]1 ZINC000065417115 685064737 /nfs/dbraw/zinc/06/47/37/685064737.db2.gz KGFVQOVDYBNNFD-LBPRGKRZSA-N 0 0 301.350 0.838 50 0 DCAARN Cc1nn(C)c(C)c1[C@H](C)NS(=O)(=O)N1CCOCC1 ZINC000067431544 685069408 /nfs/dbraw/zinc/06/94/08/685069408.db2.gz RGZQOIJBGGPLNS-JTQLQIEISA-N 0 0 302.400 0.265 50 0 DCAARN COc1cccc(OC2CN(C(=O)Cn3cccnc3=O)C2)c1 ZINC000091713809 685104893 /nfs/dbraw/zinc/10/48/93/685104893.db2.gz HHFLEFGYIYIXMZ-UHFFFAOYSA-N 0 0 315.329 0.542 50 0 DCAARN Cc1cc(C(=O)N[C@H]2CN(S(C)(=O)=O)C[C@@H]2C(C)C)no1 ZINC000092062235 685106991 /nfs/dbraw/zinc/10/69/91/685106991.db2.gz CRPHGIGHIYJQGD-PWSUYJOCSA-N 0 0 315.395 0.629 50 0 DCAARN O=C(C1CCC1)N1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000077392324 1157379802 /nfs/dbraw/zinc/37/98/02/1157379802.db2.gz UUNVIFGYURJTBB-UHFFFAOYSA-N 0 0 315.439 0.661 50 0 DCAARN O=C(Cn1cc2ccccc2n1)N1CCC([C@@H](O)CO)CC1 ZINC001772708646 1157846211 /nfs/dbraw/zinc/84/62/11/1157846211.db2.gz JXBMWGAUMLCOLQ-HNNXBMFYSA-N 0 0 303.362 0.628 50 0 DCAARN Cc1ccc2c(C(=O)N3CCC(S(N)(=O)=O)CC3)cnn2c1 ZINC001772707569 1157846762 /nfs/dbraw/zinc/84/67/62/1157846762.db2.gz WAJWJVRAXXSHBM-UHFFFAOYSA-N 0 0 322.390 0.536 50 0 DCAARN [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCS(=O)(=O)[O-] ZINC000006576295 1170786330 /nfs/dbraw/zinc/78/63/30/1170786330.db2.gz PQVKUUFDUQXKSS-NSHDSACASA-N 0 0 311.363 0.042 50 0 DCAARN COCCN(C)CC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 ZINC001704280588 1179958402 /nfs/dbraw/zinc/95/84/02/1179958402.db2.gz MJRMCTSOQRPRMP-CABCVRRESA-N 0 0 307.394 0.334 50 0 DCAARN O=C(c1n[nH]c2c1CCC2)N1C[C@@H](Cc2ccccn2)[C@H](O)C1 ZINC001704297041 1179965280 /nfs/dbraw/zinc/96/52/80/1179965280.db2.gz DMSQERVODWJIDD-IAQYHMDHSA-N 0 0 312.373 0.969 50 0 DCAARN Cc1cc(C)n2nc(C(=O)N(CCO)Cc3ncc[nH]3)cc2n1 ZINC001704304467 1179968379 /nfs/dbraw/zinc/96/83/79/1179968379.db2.gz RWJPCSHDYBPWFM-UHFFFAOYSA-N 0 0 314.349 0.704 50 0 DCAARN CN1C(=O)[C@H]2COC[C@@H]1CN(c1ncnc3ccsc31)C2 ZINC001704325767 1179973798 /nfs/dbraw/zinc/97/37/98/1179973798.db2.gz NHKWWZCWMOYXAG-ZJUUUORDSA-N 0 0 304.375 0.985 50 0 DCAARN Cn1ccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)n1 ZINC001704357640 1179984511 /nfs/dbraw/zinc/98/45/11/1179984511.db2.gz UYHVRLMVFOUMFY-UHFFFAOYSA-N 0 0 317.349 0.410 50 0 DCAARN Cc1ccc2oc(=O)n(CCC(=O)NCCn3cncn3)c2c1 ZINC001704356943 1179984884 /nfs/dbraw/zinc/98/48/84/1179984884.db2.gz MSVOHTPEWIBXPC-UHFFFAOYSA-N 0 0 315.333 0.701 50 0 DCAARN Cc1cc(N2CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)n[nH]1 ZINC000194559648 747444090 /nfs/dbraw/zinc/44/40/90/747444090.db2.gz NDDXFNMAEROMNJ-GFCCVEGCSA-N 0 0 305.382 0.426 50 0 DCAARN COCCC(=O)N1CCC(n2c(=O)n(C)nc2C2CC2)CC1 ZINC000581814024 747696150 /nfs/dbraw/zinc/69/61/50/747696150.db2.gz JPCWCVKFAUJMBV-UHFFFAOYSA-N 0 0 308.382 0.659 50 0 DCAARN Cc1cc(C(=O)N2Cc3c(C(=O)NC4CC4)nn(C)c3C2)on1 ZINC000675008526 748025075 /nfs/dbraw/zinc/02/50/75/748025075.db2.gz FAHKEZJVEGZZML-UHFFFAOYSA-N 0 0 315.333 0.765 50 0 DCAARN CO[C@H]1C[C@H]2CN(S(=O)(=O)Cc3ccccc3)CC(=O)N2C1 ZINC000675017388 748026375 /nfs/dbraw/zinc/02/63/75/748026375.db2.gz MOHYSHXRWFGKMC-KBPBESRZSA-N 0 0 324.402 0.448 50 0 DCAARN CCOCc1cn([C@@H]2CCN(C(=O)c3cnccn3)C2)nn1 ZINC000675018518 748026816 /nfs/dbraw/zinc/02/68/16/748026816.db2.gz SXFQXVZHRDWPMG-GFCCVEGCSA-N 0 0 302.338 0.692 50 0 DCAARN CC[C@@H](Cn1ccnc1)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000822640619 758204354 /nfs/dbraw/zinc/20/43/54/758204354.db2.gz TXQJUEIMPXKQPD-LBPRGKRZSA-N 0 0 322.390 0.739 50 0 DCAARN CN1Cc2ccccc2C[C@H]1CNS(=O)(=O)N1CCCC1 ZINC000823806249 758269823 /nfs/dbraw/zinc/26/98/23/758269823.db2.gz IIPRRVLJWHBFET-HNNXBMFYSA-N 0 0 309.435 0.973 50 0 DCAARN COC[C@@H]1CCCN1S(=O)(=O)N1CCN(C)C(C)(C)C1 ZINC000824370973 758770401 /nfs/dbraw/zinc/77/04/01/758770401.db2.gz HOBDXTOTVZDIOJ-LBPRGKRZSA-N 0 0 305.444 0.368 50 0 DCAARN CO[C@H]1COC[C@@H]1NC(=O)C1(N2CCOCC2)CCCCC1 ZINC000824506857 758778092 /nfs/dbraw/zinc/77/80/92/758778092.db2.gz VTXJTZWZWIZEDM-KBPBESRZSA-N 0 0 312.410 0.552 50 0 DCAARN CO[C@H]1COC[C@@H]1NC(=O)CCC(=O)Nc1cc(C)ccn1 ZINC000824506596 758778271 /nfs/dbraw/zinc/77/82/71/758778271.db2.gz JSRRUMJEFJEPBW-RYUDHWBXSA-N 0 0 307.350 0.639 50 0 DCAARN COc1ncc(CN2CCC3(CC2)CN(C)C(=O)CO3)cn1 ZINC000824851995 758790900 /nfs/dbraw/zinc/79/09/00/758790900.db2.gz MSWNIALGDVCZRU-UHFFFAOYSA-N 0 0 306.366 0.308 50 0 DCAARN C[C@@H](Cn1cncn1)C(=O)N1CCC(O)(c2cccnc2)CC1 ZINC000827628138 758871787 /nfs/dbraw/zinc/87/17/87/758871787.db2.gz YRWRPQIOXRCQMT-ZDUSSCGKSA-N 0 0 315.377 0.819 50 0 DCAARN Cc1nnc(CNC(=O)[C@H](c2cccnc2)N2CCCC2)[nH]1 ZINC000827654455 758873381 /nfs/dbraw/zinc/87/33/81/758873381.db2.gz NREDLFWYNRIXEE-AWEZNQCLSA-N 0 0 300.366 0.961 50 0 DCAARN O=C(CN1CCOc2ccccc2C1)NCCc1c[nH]cn1 ZINC000827836782 758888430 /nfs/dbraw/zinc/88/84/30/758888430.db2.gz FXZWXRKJQMQUJK-UHFFFAOYSA-N 0 0 300.362 0.963 50 0 DCAARN CN(C)c1nc2c(c(NCCc3noc(CO)n3)n1)CCCC2 ZINC000828840500 759112503 /nfs/dbraw/zinc/11/25/03/759112503.db2.gz SGMFFRBVUQBWCK-UHFFFAOYSA-N 0 0 318.381 0.951 50 0 DCAARN O=C(N[C@@H]1CCCN(C(=O)c2ccco2)C1)c1cncc(=O)[nH]1 ZINC000828930855 759124897 /nfs/dbraw/zinc/12/48/97/759124897.db2.gz XSMFATJBQZISCQ-SNVBAGLBSA-N 0 0 316.317 0.398 50 0 DCAARN CN(C)C(=O)c1cn(C2CN(C(=O)C3CCCCC3)C2)nn1 ZINC000581810576 760255087 /nfs/dbraw/zinc/25/50/87/760255087.db2.gz BEXSMPGAGHMSDE-UHFFFAOYSA-N 0 0 305.382 0.944 50 0 DCAARN O=C(NCC1CC1)c1cn(C2CN(Cc3cccnc3)C2)nn1 ZINC000581810716 760255271 /nfs/dbraw/zinc/25/52/71/760255271.db2.gz OZEWJDJFTRAQCD-UHFFFAOYSA-N 0 0 312.377 0.870 50 0 DCAARN COc1ccnc(N(C)C2CN(c3ccc4nncn4n3)C2)n1 ZINC000585592572 768081955 /nfs/dbraw/zinc/08/19/55/768081955.db2.gz JHMDUUVDHIYGIE-UHFFFAOYSA-N 0 0 312.337 0.248 50 0 DCAARN CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CCCF ZINC000585116278 766284798 /nfs/dbraw/zinc/28/47/98/766284798.db2.gz ORVNITKKILSTCT-CQSZACIVSA-N 0 0 306.378 0.934 50 0 DCAARN CN1CCN(C(=O)c2cc(F)c(F)c(F)c2F)[C@H](CO)C1 ZINC000585127669 766289808 /nfs/dbraw/zinc/28/98/08/766289808.db2.gz GSPDVQZFAKEDQS-ZETCQYMHSA-N 0 0 306.259 0.992 50 0 DCAARN Cn1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2ccc(Cl)cc2)n1 ZINC000585128329 766290333 /nfs/dbraw/zinc/29/03/33/766290333.db2.gz YOYGXKVAVIRZDV-STQMWFEESA-N 0 0 309.753 0.898 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccco1 ZINC000585135166 766291800 /nfs/dbraw/zinc/29/18/00/766291800.db2.gz CMJFUTUFTWJPLL-VIFPVBQESA-N 0 0 308.381 0.111 50 0 DCAARN O=C(NCC1CCN(c2cnsn2)CC1)c1cnccn1 ZINC000952860091 768920384 /nfs/dbraw/zinc/92/03/84/768920384.db2.gz DNONRSMNQFBUEA-UHFFFAOYSA-N 0 0 304.379 0.975 50 0 DCAARN COC[C@@H]1CCCN(S(=O)(=O)N(C)Cc2c[nH]nc2C)C1 ZINC000952860920 768921605 /nfs/dbraw/zinc/92/16/05/768921605.db2.gz VIZVQBKAGUENOZ-GFCCVEGCSA-N 0 0 316.427 0.753 50 0 DCAARN CCn1nccc1NC(=O)Cn1cc(-c2ccnc(N)n2)cn1 ZINC000048473057 769531460 /nfs/dbraw/zinc/53/14/60/769531460.db2.gz RCGOHXXQCNOHMU-UHFFFAOYSA-N 0 0 312.337 0.777 50 0 DCAARN CCOC(=O)c1cnc(N2CC(c3nnc(C)[nH]3)C2)nc1C ZINC000904217400 775954809 /nfs/dbraw/zinc/95/48/09/775954809.db2.gz CUGJPRGVOMMVIF-UHFFFAOYSA-N 0 0 302.338 0.992 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCNC(=O)C2)c2c1CCCC2 ZINC001529099180 1014494868 /nfs/dbraw/zinc/49/48/68/1014494868.db2.gz SLDMUVTVQMZAFC-UHFFFAOYSA-N 0 0 324.402 0.695 50 0 DCAARN CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc2nncn2c(N)n1 ZINC001529118675 1014498151 /nfs/dbraw/zinc/49/81/51/1014498151.db2.gz OAHLRDGFHJWNJF-SNVBAGLBSA-N 0 0 317.397 0.790 50 0 DCAARN Cc1cc(C[C@@H]2C[N@H+](Cc3c[nH]nc3C(=O)[O-])C[C@@H]2O)[nH]n1 ZINC001529168010 1014511826 /nfs/dbraw/zinc/51/18/26/1014511826.db2.gz VFJVQQXXHQVCSH-SKDRFNHKSA-N 0 0 305.338 0.175 50 0 DCAARN Cn1cnnc1SCC(=O)N(CCO)Cc1nccs1 ZINC001506400731 1017255255 /nfs/dbraw/zinc/25/52/55/1017255255.db2.gz CBEUXRWWKCJCSJ-UHFFFAOYSA-N 0 0 313.408 0.385 50 0 DCAARN Cc1cc(C)n(C2CN(CCn3c(=O)cc(C)[nH]c3=O)C2)n1 ZINC001506403504 1017256360 /nfs/dbraw/zinc/25/63/60/1017256360.db2.gz BXRMNIOJGLGDGT-UHFFFAOYSA-N 0 0 303.366 0.628 50 0 DCAARN CNc1ccnc(N2CCC[C@H](c3nnc(CO)n3C)C2)n1 ZINC001506415630 1017263884 /nfs/dbraw/zinc/26/38/84/1017263884.db2.gz ZUIICQSMVPXNCG-JTQLQIEISA-N 0 0 303.370 0.523 50 0 DCAARN COCCn1cnnc1CN(C)c1nc(OC)cc(OC)n1 ZINC001506428894 1017269161 /nfs/dbraw/zinc/26/91/61/1017269161.db2.gz RIPHHILSMURPHA-UHFFFAOYSA-N 0 0 308.342 0.368 50 0 DCAARN CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1ncc[nH]c1=O ZINC001506426942 1017269291 /nfs/dbraw/zinc/26/92/91/1017269291.db2.gz QNGDDCJTXHFQAT-NSHDSACASA-N 0 0 318.377 0.633 50 0 DCAARN COC(=O)CNC(=O)CCc1nc2ccccc2n(C)c1=O ZINC000095475452 185373309 /nfs/dbraw/zinc/37/33/09/185373309.db2.gz DMKYYMQEFSMMOE-UHFFFAOYSA-N 0 0 303.318 0.155 50 0 DCAARN Cc1ccccc1[C@@H](C(=O)NCc1nc(C(N)=O)no1)N(C)C ZINC000095496538 185374109 /nfs/dbraw/zinc/37/41/09/185374109.db2.gz CFJPRWVTKXIWAV-LBPRGKRZSA-N 0 0 317.349 0.396 50 0 DCAARN CCCN(Cc1nccn1C)C(=O)CN1C(=O)OC(C)(C)C1=O ZINC000095498495 185374282 /nfs/dbraw/zinc/37/42/82/185374282.db2.gz XQTSUFZSJLFGRD-UHFFFAOYSA-N 0 0 322.365 0.916 50 0 DCAARN O=C1CN(CCS(=O)(=O)c2ccccc2)C(=O)[C@@H]2CCCN12 ZINC000095500248 185374566 /nfs/dbraw/zinc/37/45/66/185374566.db2.gz CRDIJKCFJZTKGU-ZDUSSCGKSA-N 0 0 322.386 0.294 50 0 DCAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc(=O)n(C)c(=O)n1C ZINC000095531059 185378913 /nfs/dbraw/zinc/37/89/13/185378913.db2.gz QFDDVYSHZZQJAV-LBPRGKRZSA-N 0 0 315.373 0.835 50 0 DCAARN COc1nn(C)cc1C(=O)N1CC[C@H](Oc2cccnn2)C1 ZINC000225413054 201704832 /nfs/dbraw/zinc/70/48/32/201704832.db2.gz JCAYGCCHBGLBIQ-JTQLQIEISA-N 0 0 303.322 0.512 50 0 DCAARN Cn1c2ccc(C(=O)N3CC[S@@](=O)C(C)(C)C3)cc2[nH]c1=O ZINC000088292768 185244893 /nfs/dbraw/zinc/24/48/93/185244893.db2.gz BNMAWEMPJDFFCX-QFIPXVFZSA-N 0 0 321.402 0.850 50 0 DCAARN CCN(Cc1ccccc1)C(=O)CNC(=O)CC[S@](C)=O ZINC000089969274 185272295 /nfs/dbraw/zinc/27/22/95/185272295.db2.gz BBSMNQLTSMLNJP-OAQYLSRUSA-N 0 0 310.419 0.920 50 0 DCAARN CC[C@@H]1CN(C(=O)CCn2ccnc2)C[C@@H]1N1CCOCC1 ZINC000089948585 185270931 /nfs/dbraw/zinc/27/09/31/185270931.db2.gz AHXRKISDTYXSJJ-CABCVRRESA-N 0 0 306.410 0.842 50 0 DCAARN CN1C[C@@H](C(=O)N2CCC(Oc3ccccn3)CC2)CC1=O ZINC000090607503 185306442 /nfs/dbraw/zinc/30/64/42/185306442.db2.gz YGBSAZLHRRFPRD-LBPRGKRZSA-N 0 0 303.362 0.930 50 0 DCAARN O=C(CNS(=O)(=O)c1ccccc1)NCc1ccccn1 ZINC000000467683 190614425 /nfs/dbraw/zinc/61/44/25/190614425.db2.gz YXYGLOWJIXDKAU-UHFFFAOYSA-N 0 0 305.359 0.676 50 0 DCAARN NC(=O)NCC(=O)N1CCN(c2ccccc2Cl)C(=O)C1 ZINC000082114460 192358577 /nfs/dbraw/zinc/35/85/77/192358577.db2.gz OKJVBRAJQZZAHA-UHFFFAOYSA-N 0 0 310.741 0.184 50 0 DCAARN CC(=O)C(=O)N1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 ZINC000095389153 185351341 /nfs/dbraw/zinc/35/13/41/185351341.db2.gz MAQAQDQSAGIMDH-GFCCVEGCSA-N 0 0 316.365 0.355 50 0 DCAARN CCN(C(=O)CCn1nc2ccccn2c1=O)[C@@H](C)COC ZINC000095394675 185352515 /nfs/dbraw/zinc/35/25/15/185352515.db2.gz KCESWQOHSGHSKI-LBPRGKRZSA-N 0 0 306.366 0.770 50 0 DCAARN O=C(NCc1ccco1)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000095405188 185355702 /nfs/dbraw/zinc/35/57/02/185355702.db2.gz USZLQXWLHUZDKG-YMTOWFKASA-N 0 0 306.322 0.457 50 0 DCAARN CN(C)c1nc(N)nc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)n1 ZINC000097013143 185396826 /nfs/dbraw/zinc/39/68/26/185396826.db2.gz JULNLXXPQISSIH-APPZFPTMSA-N 0 0 320.319 0.407 50 0 DCAARN CCS(=O)(=O)NCCN1CCO[C@@H](Cc2ccccc2)C1 ZINC000181545844 199314890 /nfs/dbraw/zinc/31/48/90/199314890.db2.gz JYWPZLKDNXVWKD-HNNXBMFYSA-N 0 0 312.435 0.869 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000095452808 185369473 /nfs/dbraw/zinc/36/94/73/185369473.db2.gz YBNVCADSSYOUMH-RYUDHWBXSA-N 0 0 312.395 0.833 50 0 DCAARN CCN1CCN(C(=O)[C@@H](C)N(C)CCNC(=O)C(C)C)CC1 ZINC000095453478 185369606 /nfs/dbraw/zinc/36/96/06/185369606.db2.gz GEZOYTNKIZYGAB-CQSZACIVSA-N 0 0 312.458 0.243 50 0 DCAARN COC(=O)[C@H](CC(C)C)OC(=O)CSc1nnnn1C ZINC000095459578 185370763 /nfs/dbraw/zinc/37/07/63/185370763.db2.gz KVLXZPCZWCSRFM-QMMMGPOBSA-N 0 0 302.356 0.433 50 0 DCAARN CC(C)(C)c1cc(NC(=O)C(=O)N2CCN(CCO)CC2)no1 ZINC000095461133 185370840 /nfs/dbraw/zinc/37/08/40/185370840.db2.gz LUVVIQCRDYPVLG-UHFFFAOYSA-N 0 0 324.381 0.047 50 0 DCAARN CN1CC[C@H](C(=O)N2CCN(c3nccs3)CC2)CC1=O ZINC000044363930 190673405 /nfs/dbraw/zinc/67/34/05/190673405.db2.gz CLNVNMCAFUNXLX-NSHDSACASA-N 0 0 308.407 0.660 50 0 DCAARN O=C(NC[C@@H](O)COc1cccc(F)c1)c1ccc[nH]c1=O ZINC000056669538 190685523 /nfs/dbraw/zinc/68/55/23/190685523.db2.gz IYWPNOXUBNLMCW-LLVKDONJSA-N 0 0 306.293 0.684 50 0 DCAARN Cc1nnc2n1C[C@@H](NC(=O)c1cnc3ccccn3c1=O)CC2 ZINC000065575869 282357319 /nfs/dbraw/zinc/35/73/19/282357319.db2.gz SUHOEGWIVUDWDH-NSHDSACASA-N 0 0 324.344 0.339 50 0 DCAARN CN(CC(=O)Nc1ccccc1S(N)(=O)=O)Cc1ccco1 ZINC000069897292 282358666 /nfs/dbraw/zinc/35/86/66/282358666.db2.gz XZIDBTGTHSRUPL-UHFFFAOYSA-N 0 0 323.374 0.998 50 0 DCAARN COc1cc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)ccc1C ZINC000058426520 190693275 /nfs/dbraw/zinc/69/32/75/190693275.db2.gz BCJOJMBJOMQDEN-LBPRGKRZSA-N 0 0 306.362 0.981 50 0 DCAARN CNC(=O)CCNC(=O)[C@]1(C)CC(c2ccc(F)cc2)=NO1 ZINC000226747218 201785027 /nfs/dbraw/zinc/78/50/27/201785027.db2.gz WNPOMSKMMSUYDN-HNNXBMFYSA-N 0 0 307.325 0.961 50 0 DCAARN COCC[C@H]1COCCN1C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000330916740 232161126 /nfs/dbraw/zinc/16/11/26/232161126.db2.gz LCZFODLVSOGQCK-RYUDHWBXSA-N 0 0 300.399 0.801 50 0 DCAARN Cc1ccnc2nc(-c3nc(-c4ccc(=O)n(C)c4)no3)nn21 ZINC000170615422 197791871 /nfs/dbraw/zinc/79/18/71/197791871.db2.gz QKXUUHCNLKUMMM-UHFFFAOYSA-N 0 0 309.289 0.848 50 0 DCAARN CNC(=O)c1ccc(C(=O)N2CCN(C(C)C)C(=O)C2)cn1 ZINC000272665013 210069932 /nfs/dbraw/zinc/06/99/32/210069932.db2.gz JFFKHCDDELHDEP-UHFFFAOYSA-N 0 0 304.350 0.134 50 0 DCAARN O=C(NCCNc1nnnn1-c1ccccc1)c1ccncc1 ZINC000069739034 190810340 /nfs/dbraw/zinc/81/03/40/190810340.db2.gz CYGWAWVYEOEJBH-UHFFFAOYSA-N 0 0 309.333 0.899 50 0 DCAARN O=C(COc1cccnc1)N1CCCN(c2cccnn2)CC1 ZINC000069842881 190826903 /nfs/dbraw/zinc/82/69/03/190826903.db2.gz XGURWQXFHMFAAH-UHFFFAOYSA-N 0 0 313.361 0.989 50 0 DCAARN Cn1c2nc3n(c2c(=O)[nH]c1=O)CCCN3C1CCCCC1 ZINC000008708924 282608451 /nfs/dbraw/zinc/60/84/51/282608451.db2.gz MZQHGEGDEQFHJL-UHFFFAOYSA-N 0 0 303.366 0.966 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)c3ccc[nH]c3=O)CCO2)[nH]1 ZINC000083830019 192385492 /nfs/dbraw/zinc/38/54/92/192385492.db2.gz ULKHQZWAUOOOIT-JTQLQIEISA-N 0 0 303.322 0.269 50 0 DCAARN COc1ccc2[nH]c(C(=O)N3CC[NH2+][C@H](C(=O)[O-])C3)c(C)c2c1 ZINC000071746390 191019341 /nfs/dbraw/zinc/01/93/41/191019341.db2.gz MVDYWMLIKRONOF-ZDUSSCGKSA-N 0 0 317.345 0.984 50 0 DCAARN COC(=O)C[C@@H](C)NC(=O)C1CCN(c2ncccn2)CC1 ZINC000071853837 191032557 /nfs/dbraw/zinc/03/25/57/191032557.db2.gz NVGZLGPCJVTYDN-LLVKDONJSA-N 0 0 306.366 0.761 50 0 DCAARN NC(=O)CN1CCCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000071829383 191030809 /nfs/dbraw/zinc/03/08/09/191030809.db2.gz JYOWTXLZANWGBD-UHFFFAOYSA-N 0 0 309.797 0.902 50 0 DCAARN Cc1ccc(C(=O)N2CCNC[C@@H]2C(=O)N2CCCC2)cc1O ZINC000072143373 191049011 /nfs/dbraw/zinc/04/90/11/191049011.db2.gz FSQRWBYDDDPMRT-CQSZACIVSA-N 0 0 317.389 0.737 50 0 DCAARN Cc1ccsc1S(=O)(=O)N1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1 ZINC000072145014 191052057 /nfs/dbraw/zinc/05/20/57/191052057.db2.gz FGNPCXZDWVCRMV-USZNOCQGSA-N 0 0 317.432 0.809 50 0 DCAARN CN1C[C@@]2(CCCN(C(=O)c3cn4cccnc4n3)C2)OC1=O ZINC000072148561 191054124 /nfs/dbraw/zinc/05/41/24/191054124.db2.gz UJVMQBKNUSDVQD-OAHLLOKOSA-N 0 0 315.333 0.786 50 0 DCAARN CN1C[C@]2(CCCN(C(=O)c3cn4cccnc4n3)C2)OC1=O ZINC000072148562 191054394 /nfs/dbraw/zinc/05/43/94/191054394.db2.gz UJVMQBKNUSDVQD-HNNXBMFYSA-N 0 0 315.333 0.786 50 0 DCAARN Cc1cc(C(=O)N2CCc3c(nc(N(C)C)[nH]c3=O)C2)[nH]n1 ZINC000072151081 191056229 /nfs/dbraw/zinc/05/62/29/191056229.db2.gz NAPGMGMLCMQBDK-UHFFFAOYSA-N 0 0 302.338 0.066 50 0 DCAARN O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCC[C@@](O)(CO)C1 ZINC000072165515 191065248 /nfs/dbraw/zinc/06/52/48/191065248.db2.gz PDYOIIQAPWMBPI-INIZCTEOSA-N 0 0 317.345 0.742 50 0 DCAARN CCc1nc(C)ccc1OCC(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC000072168231 191066363 /nfs/dbraw/zinc/06/63/63/191066363.db2.gz NAORNFKDMSKAFT-KRWDZBQOSA-N 0 0 321.421 0.856 50 0 DCAARN O=C(c1cn[nH]n1)N1CCN(Cc2ccoc2)[C@H](CCO)C1 ZINC000072169922 191068043 /nfs/dbraw/zinc/06/80/43/191068043.db2.gz SQXOZHPKHILNAC-GFCCVEGCSA-N 0 0 305.338 0.107 50 0 DCAARN O=S(=O)(NC[C@H]1CCCO1)c1cnn(-c2ccccn2)c1 ZINC000072239002 191082122 /nfs/dbraw/zinc/08/21/22/191082122.db2.gz ZUJLOLKWQPLXIJ-LLVKDONJSA-N 0 0 308.363 0.725 50 0 DCAARN CN1C(=O)CO[C@@H](C(=O)NCCCO)[C@H]1c1cccc(F)c1 ZINC000072241744 191085015 /nfs/dbraw/zinc/08/50/15/191085015.db2.gz XXSPPEVCEZCFFH-ZIAGYGMSSA-N 0 0 310.325 0.223 50 0 DCAARN COCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1 ZINC000072241752 191085542 /nfs/dbraw/zinc/08/55/42/191085542.db2.gz PBFZHCPCSPGFSA-HUUCEWRRSA-N 0 0 324.352 0.877 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)N1CCC[C@@H](c2nccs2)C1 ZINC000072273460 191095584 /nfs/dbraw/zinc/09/55/84/191095584.db2.gz ILTQQNPZSCIRSI-NXEZZACHSA-N 0 0 322.390 0.837 50 0 DCAARN CCc1nc([C@@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)no1 ZINC000072279327 191100482 /nfs/dbraw/zinc/10/04/82/191100482.db2.gz BLGYVWPOMHRQQX-NSHDSACASA-N 0 0 319.365 0.367 50 0 DCAARN C[C@@H]1COCCN1CCNc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000072276280 191099043 /nfs/dbraw/zinc/09/90/43/191099043.db2.gz SGMXDLWMCRAGGB-ZIAGYGMSSA-N 0 0 321.425 0.570 50 0 DCAARN CC(C)N1C[C@H](NC(=O)N[C@H](C)C(=O)NC(C)(C)C)CC1=O ZINC000072293230 191110220 /nfs/dbraw/zinc/11/02/20/191110220.db2.gz LYJJMYBNRKQTCC-GHMZBOCLSA-N 0 0 312.414 0.598 50 0 DCAARN C[C@@H](C(=O)Nc1nccs1)N1CCc2nn(C)c(=O)cc2C1 ZINC000072302332 191115929 /nfs/dbraw/zinc/11/59/29/191115929.db2.gz NRJKGRYDJAEOOH-VIFPVBQESA-N 0 0 319.390 0.622 50 0 DCAARN COc1ccc2nnc(CCC(=O)NCc3ccco3)n2n1 ZINC000072406212 191152687 /nfs/dbraw/zinc/15/26/87/191152687.db2.gz GNSNWGWZUJQCOM-UHFFFAOYSA-N 0 0 301.306 0.975 50 0 DCAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000072409449 191153348 /nfs/dbraw/zinc/15/33/48/191153348.db2.gz LIWPFRBJIOAASS-LLVKDONJSA-N 0 0 315.333 0.719 50 0 DCAARN CCCN(Cc1nccn1C)C(=O)[C@H]1NCCc2nc[nH]c21 ZINC000072428845 191160954 /nfs/dbraw/zinc/16/09/54/191160954.db2.gz SQOUENOZBVVIIN-AWEZNQCLSA-N 0 0 302.382 0.769 50 0 DCAARN COc1ccc(F)c(F)c1C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC000072454005 191171667 /nfs/dbraw/zinc/17/16/67/191171667.db2.gz JGMJBTHCBYTSPE-SCZZXKLOSA-N 0 0 301.289 0.789 50 0 DCAARN CCNc1nc(NC(C)C)nc(N(C#N)[C@H](C)C(=O)N(C)C)n1 ZINC000000499511 180808169 /nfs/dbraw/zinc/80/81/69/180808169.db2.gz NNTNLSWRYAEVFN-SNVBAGLBSA-N 0 0 320.401 0.888 50 0 DCAARN COc1cc(-c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)ccc1O ZINC000000525762 180813034 /nfs/dbraw/zinc/81/30/34/180813034.db2.gz FAUYOHUZDCTMLM-UHFFFAOYSA-N 0 0 302.290 0.342 50 0 DCAARN CNC(=O)[C@@H](C)NC(=O)CN1C[C@@H](c2ccccc2)CC1=O ZINC000003150398 180985960 /nfs/dbraw/zinc/98/59/60/180985960.db2.gz GTMSYJWCQWBIOB-YPMHNXCESA-N 0 0 303.362 0.253 50 0 DCAARN COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003290116 181000986 /nfs/dbraw/zinc/00/09/86/181000986.db2.gz QBOWRHRTGMENCX-UHFFFAOYSA-N 0 0 313.375 0.813 50 0 DCAARN CSCC[C@H]1NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O ZINC000003307351 181002737 /nfs/dbraw/zinc/00/27/37/181002737.db2.gz JDEJGLFLTXKNIX-MRVPVSSYSA-N 0 0 312.351 0.595 50 0 DCAARN COC(=O)CNC(=O)COC(=O)c1ccc(Br)o1 ZINC000003379236 181013593 /nfs/dbraw/zinc/01/35/93/181013593.db2.gz VTUDSMCSRBGVRV-UHFFFAOYSA-N 0 0 320.095 0.488 50 0 DCAARN CNC(=O)COC(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000003361011 181011690 /nfs/dbraw/zinc/01/16/90/181011690.db2.gz QMULNUWJBLMUOM-UHFFFAOYSA-N 0 0 305.286 0.769 50 0 DCAARN Cc1nnc(SCC(=O)Nc2ccc(C(N)=O)cc2)n1N ZINC000003486517 181025919 /nfs/dbraw/zinc/02/59/19/181025919.db2.gz XTQKESFAEBJMOM-UHFFFAOYSA-N 0 0 306.351 0.130 50 0 DCAARN Cc1cccc(-n2ncc3c2ncnc3N(CCO)CCO)c1 ZINC000003912263 181057597 /nfs/dbraw/zinc/05/75/97/181057597.db2.gz ZWRSZCIZGYSQNP-UHFFFAOYSA-N 0 0 313.361 0.915 50 0 DCAARN CCOC(=O)Cn1nc(C)n(-c2ccc(OC)cc2OC)c1=O ZINC000004089192 181071750 /nfs/dbraw/zinc/07/17/50/181071750.db2.gz OESQWZSEBSUIAM-UHFFFAOYSA-N 0 0 321.333 0.923 50 0 DCAARN CCCS(=O)(=O)N1CCC(C(=O)NCCCOCC)CC1 ZINC000004115418 181075329 /nfs/dbraw/zinc/07/53/29/181075329.db2.gz QNKMROUBDBONOL-UHFFFAOYSA-N 0 0 320.455 0.981 50 0 DCAARN CCOCCn1c(=O)c2c(nc3n2cc(C)n3CC)n(C)c1=O ZINC000004250945 181088431 /nfs/dbraw/zinc/08/84/31/181088431.db2.gz HYWQHKVYIMWYOC-UHFFFAOYSA-N 0 0 319.365 0.514 50 0 DCAARN O=C(CSc1nc2[nH]ncc2c(=O)[nH]1)NC[C@H]1CCCO1 ZINC000004249672 181087769 /nfs/dbraw/zinc/08/77/69/181087769.db2.gz JSUSWHCNPHNTQC-SSDOTTSWSA-N 0 0 309.351 0.446 50 0 DCAARN COc1ccc(-c2nc3[nH]c(C)c(CCO)c(=O)n3n2)cc1 ZINC000004734931 181144516 /nfs/dbraw/zinc/14/45/16/181144516.db2.gz IFZJARFLJWMOMC-UHFFFAOYSA-N 0 0 300.318 0.936 50 0 DCAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(N)=O ZINC000004760497 181148745 /nfs/dbraw/zinc/14/87/45/181148745.db2.gz NFUAGTMBEQLHNH-AAEUAGOBSA-N 0 0 321.377 0.927 50 0 DCAARN COCCN1CC2=C(C1=O)[C@@H](c1ccc(OC)cc1)NC(=O)N2 ZINC000004854731 181163749 /nfs/dbraw/zinc/16/37/49/181163749.db2.gz QAEXYLPVRXDHER-CQSZACIVSA-N 0 0 317.345 0.792 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3cccc(Cl)c3)C(=O)[C@]2(C)NN1 ZINC000004871915 181167401 /nfs/dbraw/zinc/16/74/01/181167401.db2.gz CWMNPKVIVXJWIM-LKFCYVNXSA-N 0 0 321.720 0.720 50 0 DCAARN Nc1n[nH]c(SCC(=O)NC[C@H]2COc3ccccc3O2)n1 ZINC000004957838 181179850 /nfs/dbraw/zinc/17/98/50/181179850.db2.gz ZOVBEWXBUPBVRP-QMMMGPOBSA-N 0 0 321.362 0.435 50 0 DCAARN C[C@@]1(C2CCN(C(=O)NC[C@@H]3CCCO3)CC2)NC(=O)NC1=O ZINC000075106741 191418553 /nfs/dbraw/zinc/41/85/53/191418553.db2.gz CCVFDOWPMBYDBD-NHYWBVRUSA-N 0 0 324.381 0.185 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C2CC2)cc1C ZINC000075147508 191432210 /nfs/dbraw/zinc/43/22/10/191432210.db2.gz BUBXDNUIPMFFAV-LBPRGKRZSA-N 0 0 312.391 0.936 50 0 DCAARN COC[C@@H](C)NC(=O)CSc1nnnn1-c1ccccc1 ZINC000004988430 181185938 /nfs/dbraw/zinc/18/59/38/181185938.db2.gz VHLCDEAKVUHYAB-SNVBAGLBSA-N 0 0 307.379 0.906 50 0 DCAARN O=C(COC(=O)c1ccccc1F)N[C@H]1CCS(=O)(=O)C1 ZINC000005117916 181205008 /nfs/dbraw/zinc/20/50/08/181205008.db2.gz LZEQIKMJULOFNC-VIFPVBQESA-N 0 0 315.322 0.286 50 0 DCAARN CC[C@H](CO)NC(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000005190767 181215113 /nfs/dbraw/zinc/21/51/13/181215113.db2.gz WJVWWFMRJVWPMP-VXGBXAGGSA-N 0 0 321.377 0.871 50 0 DCAARN Cc1ccc2nc(COC(=O)c3nccnc3N)cc(=O)n2c1 ZINC000005216943 181218390 /nfs/dbraw/zinc/21/83/90/181218390.db2.gz RPNIDYACNPZRKC-UHFFFAOYSA-N 0 0 311.301 0.732 50 0 DCAARN C[C@@H](OC(=O)c1cnccn1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000005469787 181247532 /nfs/dbraw/zinc/24/75/32/181247532.db2.gz YMGVUIFAXOVXEY-SECBINFHSA-N 0 0 314.301 0.760 50 0 DCAARN CCCCC(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000005665839 181269544 /nfs/dbraw/zinc/26/95/44/181269544.db2.gz STKCKTQIZQDDCY-UHFFFAOYSA-N 0 0 322.365 0.557 50 0 DCAARN O=C(CSc1n[nH]c(-c2ccncc2)n1)N1CCOCC1 ZINC000005731792 181278526 /nfs/dbraw/zinc/27/85/26/181278526.db2.gz GDMWCXZSBWOIHY-UHFFFAOYSA-N 0 0 305.363 0.818 50 0 DCAARN CCOC(=O)c1cnn2ccc(NC(=O)c3cn(C)nn3)cc12 ZINC000085471553 192512499 /nfs/dbraw/zinc/51/24/99/192512499.db2.gz RQMMGWQKIUODCW-UHFFFAOYSA-N 0 0 314.305 0.892 50 0 DCAARN CCNC(=O)COC(=O)CNC(=O)c1ccc(OCC)cc1 ZINC000005860573 181290325 /nfs/dbraw/zinc/29/03/25/181290325.db2.gz KRWTTXPXJIGMHA-UHFFFAOYSA-N 0 0 308.334 0.494 50 0 DCAARN COC(=O)[C@@H]1C[C@H](O)CN1CCC(=O)Nc1ccccc1F ZINC000180273756 199139434 /nfs/dbraw/zinc/13/94/34/199139434.db2.gz BUGOMMDERMBRIX-GWCFXTLKSA-N 0 0 310.325 0.763 50 0 DCAARN CC1(C)O[C@@H]2O[C@H]([C@@H](O)CNC(=O)c3ccccc3)[C@@H](O)[C@@H]2O1 ZINC000005915152 181296099 /nfs/dbraw/zinc/29/60/99/181296099.db2.gz WLYZZWYBLUGTEJ-PFFFPCNUSA-N 0 0 323.345 0.015 50 0 DCAARN CNC(=O)[C@@H]1CCCN1c1ccc2nnc(C(F)(F)F)n2n1 ZINC000048363893 283397469 /nfs/dbraw/zinc/39/74/69/283397469.db2.gz CLWRTDRBRZFUPD-ZETCQYMHSA-N 0 0 314.271 0.858 50 0 DCAARN O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)[C@@H]1CNC(=O)N1 ZINC000089800375 192871732 /nfs/dbraw/zinc/87/17/32/192871732.db2.gz JCNSVDACXSMTCM-FZMZJTMJSA-N 0 0 317.345 0.707 50 0 DCAARN Cn1cc(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)cn1 ZINC000089755886 192860239 /nfs/dbraw/zinc/86/02/39/192860239.db2.gz YETZZWBSJBNCJB-CQSZACIVSA-N 0 0 314.345 0.786 50 0 DCAARN O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)NC1CCCCC1 ZINC000089818447 192878038 /nfs/dbraw/zinc/87/80/38/192878038.db2.gz IWSTXNNTAFVAPC-MEBBXXQBSA-N 0 0 308.382 0.997 50 0 DCAARN CN(C)S(=O)(=O)c1csc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000006680317 181370315 /nfs/dbraw/zinc/37/03/15/181370315.db2.gz XNHAUXSYMQMSSY-VIFPVBQESA-N 0 0 318.420 0.907 50 0 DCAARN CCCCS(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000006746893 181381764 /nfs/dbraw/zinc/38/17/64/181381764.db2.gz BZIZDMPZSRMSTH-UHFFFAOYSA-N 0 0 318.439 0.687 50 0 DCAARN COc1ccccc1CNC(=O)Cn1ncn2cccc2c1=O ZINC000006799490 181390578 /nfs/dbraw/zinc/39/05/78/181390578.db2.gz KXLCRUBDOQRICE-UHFFFAOYSA-N 0 0 312.329 0.821 50 0 DCAARN O=C(NCCc1c[nH]cn1)[C@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000091518838 193067851 /nfs/dbraw/zinc/06/78/51/193067851.db2.gz NKKXNHMLDLVDEW-ZDUSSCGKSA-N 0 0 313.361 0.512 50 0 DCAARN CC(C)[C@@H]1C[N@H+](CC(=O)NCc2ccccn2)C[C@H]1C(=O)[O-] ZINC000091548104 193071783 /nfs/dbraw/zinc/07/17/83/193071783.db2.gz PJOVVBDNYGQWBM-UONOGXRCSA-N 0 0 305.378 0.986 50 0 DCAARN COCCn1cnnc1CCNC(=O)c1cn2ccsc2n1 ZINC000091551276 193072832 /nfs/dbraw/zinc/07/28/32/193072832.db2.gz ZPMAFZVNZNMBPG-UHFFFAOYSA-N 0 0 320.378 0.606 50 0 DCAARN Cc1noc(C)c1CCCNC(=O)C[C@H]1C(=O)N(C)C(=O)N1C ZINC000091586402 193075302 /nfs/dbraw/zinc/07/53/02/193075302.db2.gz BSIFNLKNVOEBQE-LBPRGKRZSA-N 0 0 322.365 0.623 50 0 DCAARN Cn1cccc1-c1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)[nH]n1 ZINC000091596090 193077812 /nfs/dbraw/zinc/07/78/12/193077812.db2.gz MULUYWRWYBYEFW-SNVBAGLBSA-N 0 0 322.390 0.580 50 0 DCAARN NC(=O)NCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 ZINC000091603683 193078348 /nfs/dbraw/zinc/07/83/48/193078348.db2.gz XARXONRQLRQBJN-CMPLNLGQSA-N 0 0 323.422 0.234 50 0 DCAARN COc1cccc(-c2n[nH]cc2C(=O)N[C@H]2CCNC2=O)c1 ZINC000091616591 193079536 /nfs/dbraw/zinc/07/95/36/193079536.db2.gz ZZNQOJGIYVMXQY-LBPRGKRZSA-N 0 0 300.318 0.704 50 0 DCAARN CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)COC(C)C ZINC000091676900 193089558 /nfs/dbraw/zinc/08/95/58/193089558.db2.gz QAKVZWOQKGEEST-RYUDHWBXSA-N 0 0 306.428 0.588 50 0 DCAARN C[C@@H](NC(=O)CN1C(=O)CNC1=O)c1cn2ccsc2n1 ZINC000091636643 193083129 /nfs/dbraw/zinc/08/31/29/193083129.db2.gz RPATUTLPGCBTGK-SSDOTTSWSA-N 0 0 307.335 0.125 50 0 DCAARN CCN1C[C@H](C(=O)NCc2ncc3c(n2)CCC3)CCC1=O ZINC000091755020 193102433 /nfs/dbraw/zinc/10/24/33/193102433.db2.gz BDBFBIWVAGXMJS-GFCCVEGCSA-N 0 0 302.378 0.840 50 0 DCAARN O=C(CN1C(=O)CNC1=O)NC[C@H]1CCc2ccccc2O1 ZINC000091892656 193123059 /nfs/dbraw/zinc/12/30/59/193123059.db2.gz VRCNFQBCHAYNSP-LLVKDONJSA-N 0 0 303.318 0.048 50 0 DCAARN COc1ccnc(N2C[C@H](NS(C)(=O)=O)[C@@H](C3CC3)C2)n1 ZINC000091872122 193121237 /nfs/dbraw/zinc/12/12/37/193121237.db2.gz IYMCWLGWBZTWBV-MNOVXSKESA-N 0 0 312.395 0.249 50 0 DCAARN CC(C)c1nc(CCNC(=O)C[C@H]2NC(=O)NC2=O)cs1 ZINC000216306345 201488388 /nfs/dbraw/zinc/48/83/88/201488388.db2.gz ICDXIYFDQDUBTG-SECBINFHSA-N 0 0 310.379 0.523 50 0 DCAARN Cc1nnnn1CCC(=O)NCCc1nc2ccccc2o1 ZINC000219894007 201565214 /nfs/dbraw/zinc/56/52/14/201565214.db2.gz NGGAEYZXGHZTSX-UHFFFAOYSA-N 0 0 300.322 0.872 50 0 DCAARN Cc1ccnc(C[C@@H](C)N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)c1 ZINC000221255038 201585743 /nfs/dbraw/zinc/58/57/43/201585743.db2.gz OHTWTZXRYKTBRF-LLVKDONJSA-N 0 0 316.361 0.480 50 0 DCAARN COC(=O)[C@H]1C(=O)CCN(Cc2ccccc2)[C@H]1C(=O)OC ZINC000261508022 203073941 /nfs/dbraw/zinc/07/39/41/203073941.db2.gz OYUQDMYUAQYUDR-UONOGXRCSA-N 0 0 305.330 0.792 50 0 DCAARN CN(CC(N)=O)C[C@H]1CN(c2nc3ccccc3n2C)CCO1 ZINC000282232365 216844067 /nfs/dbraw/zinc/84/40/67/216844067.db2.gz LFBYSFSDFOKPJR-LBPRGKRZSA-N 0 0 317.393 0.196 50 0 DCAARN C[C@]1(NC(=O)CSc2ccccn2)CCS(=O)(=O)C1 ZINC000007699209 181487629 /nfs/dbraw/zinc/48/76/29/181487629.db2.gz UOMIABQUUQXOPI-LBPRGKRZSA-N 0 0 300.405 0.867 50 0 DCAARN COCCn1ccc2c1cccc2OCC(=O)NCC(=O)OC ZINC000263587155 203486060 /nfs/dbraw/zinc/48/60/60/203486060.db2.gz CVPLQEXQEMQTRM-UHFFFAOYSA-N 0 0 320.345 0.956 50 0 DCAARN COCCn1nc2c(cc1=O)CN(C(=O)NC(C)(C)C)CC2 ZINC000263615900 203486790 /nfs/dbraw/zinc/48/67/90/203486790.db2.gz FVKXRMGUWCKGEU-UHFFFAOYSA-N 0 0 308.382 0.756 50 0 DCAARN O=C(Cn1ccnc1-c1ccccc1)N[C@@H]1C=CS(=O)(=O)C1 ZINC000095354347 193427308 /nfs/dbraw/zinc/42/73/08/193427308.db2.gz ZQYSRQIWPLCTPX-CYBMUJFWSA-N 0 0 317.370 0.977 50 0 DCAARN O=C(NCCCOCCO)N1CCN(c2ccccc2)CC1 ZINC000095942789 193453843 /nfs/dbraw/zinc/45/38/43/193453843.db2.gz BGDMWVWYZDEOPN-UHFFFAOYSA-N 0 0 307.394 0.917 50 0 DCAARN O=C(NCCN1CCNC1=O)Nc1cccc2nsnc21 ZINC000096148476 193552175 /nfs/dbraw/zinc/55/21/75/193552175.db2.gz GVGICUVKPYBYIP-UHFFFAOYSA-N 0 0 306.351 0.838 50 0 DCAARN O=C(c1ccc(=O)[nH]n1)N1CCC(Oc2cccnn2)CC1 ZINC000096119315 193545180 /nfs/dbraw/zinc/54/51/80/193545180.db2.gz HJIUILHUXYHHGS-UHFFFAOYSA-N 0 0 301.306 0.244 50 0 DCAARN CCCCn1c(N)c(N(C)Cc2cc(C)on2)c(=O)[nH]c1=O ZINC000011237054 181687532 /nfs/dbraw/zinc/68/75/32/181687532.db2.gz NSWVIMNONHCOKT-UHFFFAOYSA-N 0 0 307.354 0.852 50 0 DCAARN O=S(=O)(c1ccc(Br)cc1)N(CCO)CCO ZINC000011566237 181693672 /nfs/dbraw/zinc/69/36/72/181693672.db2.gz AEMXGMOFDSBCKX-UHFFFAOYSA-N 0 0 324.196 0.424 50 0 DCAARN CC(=O)NC(=S)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000012138813 181732280 /nfs/dbraw/zinc/73/22/80/181732280.db2.gz DDIKPYSJFRQXES-UHFFFAOYSA-N 0 0 307.375 0.992 50 0 DCAARN CCCNC(=O)CSc1nnc(-c2cn(C)nc2OC)n1C ZINC000012422592 181761212 /nfs/dbraw/zinc/76/12/12/181761212.db2.gz DQONVLMCBFCRNP-UHFFFAOYSA-N 0 0 324.410 0.843 50 0 DCAARN Cc1cc(=O)c(C(=O)NCCCO)nn1-c1ccccc1F ZINC000097176452 193684762 /nfs/dbraw/zinc/68/47/62/193684762.db2.gz KNLQBKQIWLKWRB-UHFFFAOYSA-N 0 0 305.309 0.792 50 0 DCAARN CS(=O)(=O)NCCNC(=O)c1ccc(OC(F)F)cc1 ZINC000013015125 181823620 /nfs/dbraw/zinc/82/36/20/181823620.db2.gz JFRBPMMLIHWYSB-UHFFFAOYSA-N 0 0 308.306 0.567 50 0 DCAARN Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCOCC1)CS2 ZINC000014034768 181922102 /nfs/dbraw/zinc/92/21/02/181922102.db2.gz YRKDFEIKHDAYAZ-NSHDSACASA-N 0 0 309.391 0.756 50 0 DCAARN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000015400892 182000642 /nfs/dbraw/zinc/00/06/42/182000642.db2.gz JMMIPBCTCGEWEX-OLZOCXBDSA-N 0 0 317.455 0.259 50 0 DCAARN Nc1nonc1C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000015670943 182011193 /nfs/dbraw/zinc/01/11/93/182011193.db2.gz JTIBSGFVMAUTBE-UHFFFAOYSA-N 0 0 301.306 0.250 50 0 DCAARN CCOC(=O)CCCNC(=O)COC(=O)c1c(C)noc1N ZINC000016326619 182040190 /nfs/dbraw/zinc/04/01/90/182040190.db2.gz GIDLSOCBGWPZTK-UHFFFAOYSA-N 0 0 313.310 0.182 50 0 DCAARN CCNC(=O)C(=O)NCC1(c2ccccc2OC)CCOCC1 ZINC000016975769 182066843 /nfs/dbraw/zinc/06/68/43/182066843.db2.gz FVLUQSMPZSSCDR-UHFFFAOYSA-N 0 0 320.389 0.996 50 0 DCAARN CCN(CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)Cc1ccco1 ZINC000042148451 284381058 /nfs/dbraw/zinc/38/10/58/284381058.db2.gz WBFHBAFKLFIXKQ-GFCCVEGCSA-N 0 0 314.407 0.747 50 0 DCAARN CC(=O)N1CCN(CC(=O)Nc2cccc3nsnc32)CC1 ZINC000019078482 182103989 /nfs/dbraw/zinc/10/39/89/182103989.db2.gz XMZANQFRFGTNKW-UHFFFAOYSA-N 0 0 319.390 0.794 50 0 DCAARN CC(=O)c1cc2c(cc1NC(=O)CN1CCOCC1)OCO2 ZINC000019848929 182156322 /nfs/dbraw/zinc/15/63/22/182156322.db2.gz GMCKNDRBZFCSBB-UHFFFAOYSA-N 0 0 306.318 0.889 50 0 DCAARN COC(=O)[C@H](CC1CCCCC1)NC(=O)CN1CCOCC1 ZINC000020389683 182213304 /nfs/dbraw/zinc/21/33/04/182213304.db2.gz RAUQNWKKNCIUPN-AWEZNQCLSA-N 0 0 312.410 0.947 50 0 DCAARN O=C(NCCN1CCOCC1)[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000020328082 182208614 /nfs/dbraw/zinc/20/86/14/182208614.db2.gz HFPARIUYRCHIFD-OAHLLOKOSA-N 0 0 321.352 0.767 50 0 DCAARN Cn1ncc(Br)c1NC(=O)CN1CCOCC1 ZINC000020421459 182215826 /nfs/dbraw/zinc/21/58/26/182215826.db2.gz WMLVPMJHRNRMCO-UHFFFAOYSA-N 0 0 303.160 0.453 50 0 DCAARN Cc1cc(S(=O)(=O)NCCN2CCOCC2)c(C)s1 ZINC000020528372 182227290 /nfs/dbraw/zinc/22/72/90/182227290.db2.gz VIICYSKLEJKRMZ-UHFFFAOYSA-N 0 0 304.437 0.975 50 0 DCAARN O=C(CCc1nc2ccccc2[nH]1)N1CCN(CCO)CC1 ZINC000020572341 182234298 /nfs/dbraw/zinc/23/42/98/182234298.db2.gz GMGNXZHUVDZASG-UHFFFAOYSA-N 0 0 302.378 0.632 50 0 DCAARN O=C(NCCN1CCOCC1)c1nc(-c2ccccn2)no1 ZINC000020676282 182242990 /nfs/dbraw/zinc/24/29/90/182242990.db2.gz ZBOAVGKNDSLOKZ-UHFFFAOYSA-N 0 0 303.322 0.194 50 0 DCAARN O=C(C1CCOCC1)N1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000020777643 182246354 /nfs/dbraw/zinc/24/63/54/182246354.db2.gz WWWPLGDBEZBPQM-OAHLLOKOSA-N 0 0 302.374 0.983 50 0 DCAARN O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCCO1 ZINC000021122557 182265859 /nfs/dbraw/zinc/26/58/59/182265859.db2.gz OCICTRVHIVBNBV-LLVKDONJSA-N 0 0 309.366 0.536 50 0 DCAARN CC(=O)Nc1ccc(CNC(=O)[C@H](NC(N)=O)C(C)C)cc1 ZINC000021133485 182266279 /nfs/dbraw/zinc/26/62/79/182266279.db2.gz GGVXKAIXTKZMFT-CYBMUJFWSA-N 0 0 306.366 0.954 50 0 DCAARN Cc1ccc(-n2nc(CO)c(C(=O)NCCCO)n2)cc1C ZINC000021149123 182266630 /nfs/dbraw/zinc/26/66/30/182266630.db2.gz RUSVCMLFPLGGDS-UHFFFAOYSA-N 0 0 304.350 0.489 50 0 DCAARN CCOC(=O)N1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC000021866807 182294701 /nfs/dbraw/zinc/29/47/01/182294701.db2.gz YXTSZUYWVNTQNL-UHFFFAOYSA-N 0 0 303.322 0.872 50 0 DCAARN O=C(CN1CCN(Cc2nnsc2Cl)CC1)NC1CC1 ZINC000022787982 182335147 /nfs/dbraw/zinc/33/51/47/182335147.db2.gz YCHFVWMPKWFEKF-UHFFFAOYSA-N 0 0 315.830 0.588 50 0 DCAARN CC(=O)c1cccc(OC[C@H](O)CN2CCN(C(C)=O)CC2)c1 ZINC000023386744 182359230 /nfs/dbraw/zinc/35/92/30/182359230.db2.gz WSMNQHTYEBZHSZ-MRXNPFEDSA-N 0 0 320.389 0.793 50 0 DCAARN CCNC(=O)c1ccc2c(c1)nc1n2CCN(C[C@@H](C)O)C1 ZINC000023411520 182360143 /nfs/dbraw/zinc/36/01/43/182360143.db2.gz OHQNHXYWDKCMEJ-LLVKDONJSA-N 0 0 302.378 0.982 50 0 DCAARN O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)c1cnccn1 ZINC000024759065 182389844 /nfs/dbraw/zinc/38/98/44/182389844.db2.gz LLMVMJORCGXKJI-UHFFFAOYSA-N 0 0 311.301 0.781 50 0 DCAARN NS(=O)(=O)Cc1ccc(CNC(=O)c2ccncc2)cc1 ZINC000024609938 182385363 /nfs/dbraw/zinc/38/53/63/182385363.db2.gz AGGQEISXVNZFHP-UHFFFAOYSA-N 0 0 305.359 0.800 50 0 DCAARN C[C@@H](C(=O)N1CCN(C)CC1)n1cc(Br)cn1 ZINC000028224426 182512542 /nfs/dbraw/zinc/51/25/42/182512542.db2.gz FGXONVLMLCJPSK-VIFPVBQESA-N 0 0 301.188 0.981 50 0 DCAARN COc1ccc(OCc2noc(CN3CCNC(=O)C3)n2)cc1 ZINC000028637343 182531281 /nfs/dbraw/zinc/53/12/81/182531281.db2.gz QSZWMLBAYLZJDZ-UHFFFAOYSA-N 0 0 318.333 0.589 50 0 DCAARN COCCCNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000029540824 182568988 /nfs/dbraw/zinc/56/89/88/182568988.db2.gz JHKSDTOJOPPJLB-UHFFFAOYSA-N 0 0 318.333 0.186 50 0 DCAARN CCCn1nc(C(=O)N(CC)CC(=O)NC(C)C)ccc1=O ZINC000032667801 182654391 /nfs/dbraw/zinc/65/43/91/182654391.db2.gz CXRVJXPFQDQMGI-UHFFFAOYSA-N 0 0 308.382 0.640 50 0 DCAARN CNC(=O)/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000034914371 182743734 /nfs/dbraw/zinc/74/37/34/182743734.db2.gz IHFYESFSLWHJMK-DAXSKMNVSA-N 0 0 310.375 0.467 50 0 DCAARN NC(=O)C(=O)N[C@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000101435621 193813482 /nfs/dbraw/zinc/81/34/82/193813482.db2.gz IYIAZFZBGCHTOP-AWEZNQCLSA-N 0 0 309.325 0.876 50 0 DCAARN C[C@]1(NC(=O)CN2CCc3ccccc3C2)CCS(=O)(=O)C1 ZINC000037213051 182873312 /nfs/dbraw/zinc/87/33/12/182873312.db2.gz IGTYPUHIJLPSNB-INIZCTEOSA-N 0 0 322.430 0.738 50 0 DCAARN O=C1CCCC(=O)N1CCS(=O)(=O)NCc1ccsc1 ZINC000038586574 183003520 /nfs/dbraw/zinc/00/35/20/183003520.db2.gz HLMDFNUVWFLYOQ-UHFFFAOYSA-N 0 0 316.404 0.707 50 0 DCAARN COC(=O)c1sccc1S(=O)(=O)N1CCOC[C@@H]1C ZINC000046802964 284629172 /nfs/dbraw/zinc/62/91/72/284629172.db2.gz WLAWWYRRPXDSHT-QMMMGPOBSA-N 0 0 305.377 0.944 50 0 DCAARN CCCCn1nnnc1CS(=O)(=O)CC(=O)N[C@@H](C)CC ZINC000040106209 183035172 /nfs/dbraw/zinc/03/51/72/183035172.db2.gz FPFKFHLVSVPJPL-JTQLQIEISA-N 0 0 317.415 0.303 50 0 DCAARN CC[C@H](C)NC(=O)Cn1nc(-n2nc(C)cc2C)ccc1=O ZINC000040286420 183051048 /nfs/dbraw/zinc/05/10/48/183051048.db2.gz QRVPBFINMDVMHE-JTQLQIEISA-N 0 0 303.366 0.961 50 0 DCAARN O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1ccc2c(c1)OCO2 ZINC000040468656 183073129 /nfs/dbraw/zinc/07/31/29/183073129.db2.gz PBMKQFKSGROYQQ-NSHDSACASA-N 0 0 309.343 0.980 50 0 DCAARN NC(=O)CN1CCC(NC(=O)c2cccc3c[nH]nc32)CC1 ZINC000040490355 183079759 /nfs/dbraw/zinc/07/97/59/183079759.db2.gz MKDZYUPPBXTYOP-UHFFFAOYSA-N 0 0 301.350 0.242 50 0 DCAARN CN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)S(C)(=O)=O ZINC000040505175 183085088 /nfs/dbraw/zinc/08/50/88/183085088.db2.gz GTKOCKZHPODDOQ-MRVPVSSYSA-N 0 0 302.318 0.679 50 0 DCAARN O=C(NCC(F)(F)F)[C@H]1CCCN1c1ccc2nnnn2n1 ZINC000040511182 183086587 /nfs/dbraw/zinc/08/65/87/183086587.db2.gz VAVSWIGTPJHFBO-SSDOTTSWSA-N 0 0 315.259 0.167 50 0 DCAARN CC(C)COc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000040512079 183087274 /nfs/dbraw/zinc/08/72/74/183087274.db2.gz KDPQGDVECSXFHM-UHFFFAOYSA-N 0 0 312.391 0.842 50 0 DCAARN Cn1nc(C(=O)N[C@@H]2CCCCNC2=O)c2ccccc2c1=O ZINC000040521764 183090546 /nfs/dbraw/zinc/09/05/46/183090546.db2.gz VGRXGWHMPFCNCL-GFCCVEGCSA-N 0 0 314.345 0.332 50 0 DCAARN O=C(CN1CCc2sccc2C1)N[C@H]1CCCCNC1=O ZINC000040528228 183093318 /nfs/dbraw/zinc/09/33/18/183093318.db2.gz VKMSNNZQMFZUAT-LBPRGKRZSA-N 0 0 307.419 0.891 50 0 DCAARN C[C@H](CN1CCOCC1)NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000040528158 183093469 /nfs/dbraw/zinc/09/34/69/183093469.db2.gz VGRLCBFNZGPVSF-SNVBAGLBSA-N 0 0 320.361 0.964 50 0 DCAARN COCCN1C[C@@H](C(=O)NCc2cccnc2N(C)C)CC1=O ZINC000040534598 183094595 /nfs/dbraw/zinc/09/45/95/183094595.db2.gz DOOXCHBEKOQIKN-ZDUSSCGKSA-N 0 0 320.393 0.259 50 0 DCAARN O=C(Cn1cnnn1)NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000040534226 183094717 /nfs/dbraw/zinc/09/47/17/183094717.db2.gz NXDURDCPOFQEMM-CQSZACIVSA-N 0 0 317.349 0.547 50 0 DCAARN Cc1occc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000040542770 183098408 /nfs/dbraw/zinc/09/84/08/183098408.db2.gz SGZQSWQGSDKMML-NSHDSACASA-N 0 0 300.380 0.989 50 0 DCAARN Cc1nn(C)c(Cl)c1C(=O)NCCN1C(=O)CSC1=O ZINC000040554806 183101774 /nfs/dbraw/zinc/10/17/74/183101774.db2.gz YNAZZOHRMSTYFB-UHFFFAOYSA-N 0 0 316.770 0.807 50 0 DCAARN Cc1nn(C)c2cn([C@H](C)C(=O)NCC(=O)N3CCCC3)nc12 ZINC000040715065 183122349 /nfs/dbraw/zinc/12/23/49/183122349.db2.gz SSKVQQVCUPJPJB-LLVKDONJSA-N 0 0 318.381 0.378 50 0 DCAARN CC[C@@H](C)c1noc([C@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 ZINC000040714792 183122967 /nfs/dbraw/zinc/12/29/67/183122967.db2.gz FHXRQBFYSVLZMU-MNOVXSKESA-N 0 0 319.369 0.976 50 0 DCAARN O=C(Cn1nc(-c2ccccc2)oc1=O)NC[C@@H]1CCOC1 ZINC000041373603 183187496 /nfs/dbraw/zinc/18/74/96/183187496.db2.gz DQWZCGPPNWDHJU-NSHDSACASA-N 0 0 303.318 0.656 50 0 DCAARN Cc1nnc(CNC(=O)[C@H](C)n2nnc3ccccc3c2=O)o1 ZINC000042382872 183262662 /nfs/dbraw/zinc/26/26/62/183262662.db2.gz YENIFWJASFSVLW-QMMMGPOBSA-N 0 0 314.305 0.360 50 0 DCAARN Cn1ncc2c1ncn(C[C@H](O)COc1ccccc1)c2=O ZINC000042757720 183305939 /nfs/dbraw/zinc/30/59/39/183305939.db2.gz HMSMCMHQXWFCEI-NSHDSACASA-N 0 0 300.318 0.570 50 0 DCAARN CCOc1ccc(CCNC(=O)Cn2cnnn2)cc1OCC ZINC000042669908 183295725 /nfs/dbraw/zinc/29/57/25/183295725.db2.gz DTBQCIYLIVKSMX-UHFFFAOYSA-N 0 0 319.365 0.829 50 0 DCAARN Cc1nc(-c2cccs2)sc1C(=O)NC(C(N)=O)C(N)=O ZINC000042788986 183308917 /nfs/dbraw/zinc/30/89/17/183308917.db2.gz KDPCBKRSLRATSJ-UHFFFAOYSA-N 0 0 324.387 0.249 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCSc2ccccc21 ZINC000042814303 183312367 /nfs/dbraw/zinc/31/23/67/183312367.db2.gz GMHJZZNWPVUCGZ-ZJUUUORDSA-N 0 0 305.359 0.938 50 0 DCAARN NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1nn2c(nccc2=O)s1 ZINC000106179977 194190065 /nfs/dbraw/zinc/19/00/65/194190065.db2.gz JKWXXCOEQMSREW-UTLUCORTSA-N 0 0 319.390 0.774 50 0 DCAARN CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(C)on2)cc1 ZINC000048300394 183640325 /nfs/dbraw/zinc/64/03/25/183640325.db2.gz OKBUYFFACKQHQQ-UHFFFAOYSA-N 0 0 323.374 0.962 50 0 DCAARN O=S1(=O)CC[C@@H](Nc2cc(C(F)(F)F)nc3ncnn32)C1 ZINC000051282957 183821951 /nfs/dbraw/zinc/82/19/51/183821951.db2.gz MOTJWIGCDNHANV-ZCFIWIBFSA-N 0 0 321.284 0.742 50 0 DCAARN C[C@H]1CN(C(=O)CNc2cccc(S(C)(=O)=O)c2)CCO1 ZINC000056395203 184012052 /nfs/dbraw/zinc/01/20/52/184012052.db2.gz GVKNLUZVHWJGAC-NSHDSACASA-N 0 0 312.391 0.749 50 0 DCAARN O=c1[nH]c2nc(-n3ccnc3)ncc2c(=O)n1Cc1ccco1 ZINC000057352008 184034912 /nfs/dbraw/zinc/03/49/12/184034912.db2.gz NHPIJZQKYODHJW-UHFFFAOYSA-N 0 0 310.273 0.719 50 0 DCAARN COCCNC(=O)Cn1c(=O)cc(C)nc1-c1ccccc1 ZINC000057526301 184041446 /nfs/dbraw/zinc/04/14/46/184041446.db2.gz IQMYGQXBDNUJGQ-UHFFFAOYSA-N 0 0 301.346 0.981 50 0 DCAARN COc1ccccc1NC(=O)NC[C@H](O)CN1CCCC1=O ZINC000058063075 184073015 /nfs/dbraw/zinc/07/30/15/184073015.db2.gz YFYQUFIAJJEJGC-NSHDSACASA-N 0 0 307.350 0.800 50 0 DCAARN CCOC(=O)[C@H](C)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000058014207 184067184 /nfs/dbraw/zinc/06/71/84/184067184.db2.gz IWDVRPYETBCKHS-LBPRGKRZSA-N 0 0 324.381 0.491 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1ccc(F)cc1F ZINC000058178894 184085232 /nfs/dbraw/zinc/08/52/32/184085232.db2.gz QWEPTZZSTDJJNF-UHFFFAOYSA-N 0 0 308.306 0.087 50 0 DCAARN CC(C)c1noc([C@@H](C)N2CCN(CC(=O)N(C)C)CC2)n1 ZINC000058215898 184089074 /nfs/dbraw/zinc/08/90/74/184089074.db2.gz XZEMLCVSMHYOOR-GFCCVEGCSA-N 0 0 309.414 0.960 50 0 DCAARN COCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000058249167 184094736 /nfs/dbraw/zinc/09/47/36/184094736.db2.gz JWXOXOZTGGKCPK-LLVKDONJSA-N 0 0 315.395 0.243 50 0 DCAARN C[C@@H]1CCCN(S(=O)(=O)NCCCN2CCCC2=O)C1 ZINC000058268563 184097910 /nfs/dbraw/zinc/09/79/10/184097910.db2.gz IGMTUFCBFPVVRW-GFCCVEGCSA-N 0 0 303.428 0.565 50 0 DCAARN CN(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000058278906 184098676 /nfs/dbraw/zinc/09/86/76/184098676.db2.gz OZWHKMCWNBZGMP-ZDUSSCGKSA-N 0 0 311.407 0.272 50 0 DCAARN COC(=O)Cc1nnn(Cc2nc(-c3cccc(C)c3)no2)n1 ZINC000058291589 184100680 /nfs/dbraw/zinc/10/06/80/184100680.db2.gz FHSIFCOUMATIEP-UHFFFAOYSA-N 0 0 314.305 0.795 50 0 DCAARN CS(=O)(=O)c1cccc(OCC(=O)Nc2ccc[nH]c2=O)c1 ZINC000058434307 184118407 /nfs/dbraw/zinc/11/84/07/184118407.db2.gz BNKXGPWIGKCIHB-UHFFFAOYSA-N 0 0 322.342 0.796 50 0 DCAARN C[C@@](O)(CCc1ccccc1)CNC(=O)CN1C(=O)CCC1=O ZINC000062021430 184201967 /nfs/dbraw/zinc/20/19/67/184201967.db2.gz WVIVMHYKLBGAPU-QGZVFWFLSA-N 0 0 318.373 0.635 50 0 DCAARN O=C1NC[C@H]2CN(c3ccnc4c(F)cccc34)CCN2C1=O ZINC000170608354 284909735 /nfs/dbraw/zinc/90/97/35/284909735.db2.gz SVYZHJHXPVBTOG-JTQLQIEISA-N 0 0 314.320 0.521 50 0 DCAARN CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)C(=O)N2CCOCC2)c1C ZINC000062885675 184258381 /nfs/dbraw/zinc/25/83/81/184258381.db2.gz NIVOHYSKDFDXIQ-LLVKDONJSA-N 0 0 321.377 0.811 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)NCc2cccnc2)c(C)n1C ZINC000064922930 184306268 /nfs/dbraw/zinc/30/62/68/184306268.db2.gz IHEMLRGSMQIMOE-UHFFFAOYSA-N 0 0 323.374 0.994 50 0 DCAARN CCc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)o2)o1 ZINC000065246274 184318150 /nfs/dbraw/zinc/31/81/50/184318150.db2.gz DHYPDAGAADOCJU-UHFFFAOYSA-N 0 0 313.335 0.913 50 0 DCAARN COc1ccc(CN2CCN(S(=O)(=O)C3CC3)CC2)cn1 ZINC000065267247 184319647 /nfs/dbraw/zinc/31/96/47/184319647.db2.gz DRXMJCXNSQXBBX-UHFFFAOYSA-N 0 0 311.407 0.700 50 0 DCAARN COc1cccc(CNC(=O)N2CCN3CCNC(=O)[C@@H]3C2)c1 ZINC000065376330 184331274 /nfs/dbraw/zinc/33/12/74/184331274.db2.gz WBXPZCPZQOTDNQ-AWEZNQCLSA-N 0 0 318.377 0.021 50 0 DCAARN CCCCOCC(=O)N1CCc2nc(C)n(C)c(=O)c2CC1 ZINC000065431374 184344268 /nfs/dbraw/zinc/34/42/68/184344268.db2.gz YZXGLYJENSKCCG-UHFFFAOYSA-N 0 0 307.394 0.833 50 0 DCAARN CCn1cnnc1CNC(=O)NC[C@](C)(CC)N1CCOCC1 ZINC000065434689 184345114 /nfs/dbraw/zinc/34/51/14/184345114.db2.gz WUEYRKOQZRSYMA-HNNXBMFYSA-N 0 0 324.429 0.598 50 0 DCAARN CN(C)c1ncnc2c1CN(CC(=O)Nc1nncs1)CC2 ZINC000065458317 184348537 /nfs/dbraw/zinc/34/85/37/184348537.db2.gz HHBBFQZRCHTFAO-UHFFFAOYSA-N 0 0 319.394 0.391 50 0 DCAARN CC(C)CCO[C@@H](C)C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000065466900 184350357 /nfs/dbraw/zinc/35/03/57/184350357.db2.gz PIDYCGXKIYPCEH-NSHDSACASA-N 0 0 311.382 0.638 50 0 DCAARN CC(=O)c1ccc(C(=O)N2CCN3CCN(C)C(=O)[C@H]3C2)s1 ZINC000065469861 184350681 /nfs/dbraw/zinc/35/06/81/184350681.db2.gz FPANHORREJYAAN-LLVKDONJSA-N 0 0 321.402 0.549 50 0 DCAARN O=C(N[C@@H]1C[C@H]2C(=O)NCC(=O)N2C1)c1cnc2ccccc2c1 ZINC000065468562 184350862 /nfs/dbraw/zinc/35/08/62/184350862.db2.gz RKZRLMLWLASONW-OCCSQVGLSA-N 0 0 324.340 0.064 50 0 DCAARN CCOc1ncnc2c1CN(CCC(=O)N1CCOCC1)CC2 ZINC000065478894 184352322 /nfs/dbraw/zinc/35/23/22/184352322.db2.gz YYZOWSHENRWOLQ-UHFFFAOYSA-N 0 0 320.393 0.482 50 0 DCAARN CC1(C)C[C@@H](C(=O)N2CCn3c(C(N)=O)cnc3C2)CCO1 ZINC000065398286 184335716 /nfs/dbraw/zinc/33/57/16/184335716.db2.gz PRDDLYCCQRTJCI-JTQLQIEISA-N 0 0 306.366 0.529 50 0 DCAARN CN(C)c1ccc(C(=O)Nc2ccn(CC(N)=O)n2)cc1F ZINC000065565278 184366438 /nfs/dbraw/zinc/36/64/38/184366438.db2.gz FDQCVTNEJFUVJG-UHFFFAOYSA-N 0 0 305.313 0.826 50 0 DCAARN CC[C@@H](C(N)=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000065577800 184368241 /nfs/dbraw/zinc/36/82/41/184368241.db2.gz YICDEUYMLMKGTO-AWEZNQCLSA-N 0 0 319.405 0.839 50 0 DCAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)[C@H]1CCC(=O)N1 ZINC000065590689 184369912 /nfs/dbraw/zinc/36/99/12/184369912.db2.gz SXIIXDPQLOBXFU-VXGBXAGGSA-N 0 0 323.418 0.516 50 0 DCAARN C[C@H](CNC(=O)c1cc2n(n1)CCNC2)Oc1cccnc1 ZINC000065505469 184357066 /nfs/dbraw/zinc/35/70/66/184357066.db2.gz STRMGSDXZHEWKL-LLVKDONJSA-N 0 0 301.350 0.579 50 0 DCAARN COC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(OC)cc2)C1=O ZINC000066084063 184388292 /nfs/dbraw/zinc/38/82/92/184388292.db2.gz WENNLTQJPOATQV-OAHLLOKOSA-N 0 0 321.333 0.591 50 0 DCAARN Cc1ccc(OC[C@@H](C)NC(=O)CCNS(C)(=O)=O)cc1 ZINC000065626226 184375330 /nfs/dbraw/zinc/37/53/30/184375330.db2.gz OOSAUPWFZDVSOA-GFCCVEGCSA-N 0 0 314.407 0.818 50 0 DCAARN CC(C)CN(C(=O)CCn1cc(S(N)(=O)=O)cn1)C(C)C ZINC000066645724 184420898 /nfs/dbraw/zinc/42/08/98/184420898.db2.gz QZYLKRPAHNJYKR-UHFFFAOYSA-N 0 0 316.427 0.814 50 0 DCAARN COC(=O)C1(NC(=O)Cn2nc(C)ccc2=O)CCCCC1 ZINC000067747178 184484599 /nfs/dbraw/zinc/48/45/99/184484599.db2.gz BIDGRWPMJSHWCU-UHFFFAOYSA-N 0 0 307.350 0.544 50 0 DCAARN O=C(Cn1c(=O)onc1-c1cnccn1)NCc1ccco1 ZINC000069535911 184523998 /nfs/dbraw/zinc/52/39/98/184523998.db2.gz HSZXGYIGQVLBNZ-UHFFFAOYSA-N 0 0 301.262 0.203 50 0 DCAARN CNS(=O)(=O)C[C@H]1CCCN1Cc1noc(C(C)C)n1 ZINC000332731324 252668256 /nfs/dbraw/zinc/66/82/56/252668256.db2.gz VUMNTRZHMZNHNL-SNVBAGLBSA-N 0 0 302.400 0.707 50 0 DCAARN CCN1CC(=O)N(c2ccc(C)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000055387396 285182090 /nfs/dbraw/zinc/18/20/90/285182090.db2.gz PUYFEGMCGSQXON-UONOGXRCSA-N 0 0 308.403 0.829 50 0 DCAARN COC(=O)[C@H]1C[C@@H](C(=O)OC)N(C(=O)c2ccccc2)CC1=O ZINC000072194206 291925558 /nfs/dbraw/zinc/92/55/58/291925558.db2.gz KQXKRUDATDKFEL-RYUDHWBXSA-N 0 0 319.313 0.432 50 0 DCAARN CC(=O)NCCNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C ZINC000008184475 256522738 /nfs/dbraw/zinc/52/27/38/256522738.db2.gz QEBGDLKAEOFQCU-AWEZNQCLSA-N 0 0 323.368 0.832 50 0 DCAARN CNC(=O)[C@H]1CC[C@H](CNC(=O)c2[nH]nc(N)c2Cl)CC1 ZINC000244691547 256605012 /nfs/dbraw/zinc/60/50/12/256605012.db2.gz JERVNKPMOZBITH-ZKCHVHJHSA-N 0 0 313.789 0.928 50 0 DCAARN CN(C(=O)CCCc1cccs1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000020540253 257103222 /nfs/dbraw/zinc/10/32/22/257103222.db2.gz ZDUBFXUNWUWDFJ-VXGBXAGGSA-N 0 0 317.432 0.687 50 0 DCAARN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCCCCC1 ZINC000014124384 257233649 /nfs/dbraw/zinc/23/36/49/257233649.db2.gz USQJPMALXUDSSU-SNVBAGLBSA-N 0 0 308.382 0.113 50 0 DCAARN CCC(C(=O)OC)(C(=O)OC)C(CC)(C(=O)OC)C(=O)OC ZINC000002835852 257211469 /nfs/dbraw/zinc/21/14/69/257211469.db2.gz ZYPXJSAISFYCBT-UHFFFAOYSA-N 0 0 318.322 0.471 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N[C@]1(C)CC(C)(C)OC1=O ZINC000521394485 257241051 /nfs/dbraw/zinc/24/10/51/257241051.db2.gz VSHQCTGRZHCXHL-CYBMUJFWSA-N 0 0 315.395 0.799 50 0 DCAARN Cc1nn2c(nc(C)cc2C)c1C(=O)N[C@@H]1C[NH2+][C@H](C(=O)[O-])C1 ZINC000426604604 257245457 /nfs/dbraw/zinc/24/54/57/257245457.db2.gz SKDLUXYHSYQVHB-QWRGUYRKSA-N 0 0 317.349 0.199 50 0 DCAARN O=C(CN1CCC[C@H](O)C1)NCCCn1nccc1C1CC1 ZINC000426628759 257245472 /nfs/dbraw/zinc/24/54/72/257245472.db2.gz MPGGDHKHIISJFA-AWEZNQCLSA-N 0 0 306.410 0.724 50 0 DCAARN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1nccc2ccccc21 ZINC000426518952 257247729 /nfs/dbraw/zinc/24/77/29/257247729.db2.gz KFSDANWGMXCUNR-CHWSQXEVSA-N 0 0 320.370 0.777 50 0 DCAARN Cc1cc(NC(=O)NC[C@H](O)CO)ccc1N1CCCC1=O ZINC000426523715 257247973 /nfs/dbraw/zinc/24/79/73/257247973.db2.gz SQCDGHFHJYHWMV-LBPRGKRZSA-N 0 0 307.350 0.597 50 0 DCAARN Cc1cc(CN(C)C(=O)c2cnc3c(O)cccn3c2=O)on1 ZINC000426507857 257248464 /nfs/dbraw/zinc/24/84/64/257248464.db2.gz KEMBLWCUIGWSED-UHFFFAOYSA-N 0 0 314.301 0.969 50 0 DCAARN COc1ccccc1CNC(=O)N1CCNC(=O)[C@H]1CCO ZINC000426501897 257248711 /nfs/dbraw/zinc/24/87/11/257248711.db2.gz QTYNNTBFGSOQGX-GFCCVEGCSA-N 0 0 307.350 0.088 50 0 DCAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)CN1C(=O)CN(C)C1=O ZINC000426465400 257250614 /nfs/dbraw/zinc/25/06/14/257250614.db2.gz BXRLAEJIPFZUTR-NSHDSACASA-N 0 0 320.349 0.849 50 0 DCAARN COCCN(Cc1nccs1)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000426420260 257251168 /nfs/dbraw/zinc/25/11/68/257251168.db2.gz SNCYFPQJWLDDEQ-JTQLQIEISA-N 0 0 318.420 0.553 50 0 DCAARN CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)CCn3nnnc3C)[C@H]2C1 ZINC000426414219 257251768 /nfs/dbraw/zinc/25/17/68/257251768.db2.gz CKBYQQNUVYCLJC-VNHYZAJKSA-N 0 0 323.397 0.557 50 0 DCAARN Cc1ccsc1CNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000045578201 257269924 /nfs/dbraw/zinc/26/99/24/257269924.db2.gz OOXMTZLKPXRNBL-NSHDSACASA-N 0 0 316.448 0.792 50 0 DCAARN C[C@H](OCC1CC1)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000058306463 257270126 /nfs/dbraw/zinc/27/01/26/257270126.db2.gz UXCIYOCLCNZHRD-NSHDSACASA-N 0 0 318.439 0.684 50 0 DCAARN O=C(Cn1nc2ccccn2c1=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000071805060 184847873 /nfs/dbraw/zinc/84/78/73/184847873.db2.gz YJUBXNVKFSIZFM-CHWSQXEVSA-N 0 0 316.361 0.666 50 0 DCAARN Cc1noc(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)n1 ZINC000071847382 184867513 /nfs/dbraw/zinc/86/75/13/184867513.db2.gz NLDNLJADERGILL-ZETCQYMHSA-N 0 0 306.244 0.405 50 0 DCAARN Cc1nc(COc2ccc(NC(=O)Cn3cnnn3)cc2)no1 ZINC000071888191 184888708 /nfs/dbraw/zinc/88/87/08/184888708.db2.gz WKJJQKXZHHDBGY-UHFFFAOYSA-N 0 0 315.293 0.582 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)OCc2nnc(C)o2)c1 ZINC000008186087 395684241 /nfs/dbraw/zinc/68/42/41/395684241.db2.gz GOYXWZSKFNVSRI-UHFFFAOYSA-N 0 0 311.319 0.643 50 0 DCAARN CCCCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(C)c1=O ZINC000008610932 395684738 /nfs/dbraw/zinc/68/47/38/395684738.db2.gz HFCCTZBQAYJMQM-UHFFFAOYSA-N 0 0 316.361 0.770 50 0 DCAARN COC(=O)c1cn(-c2ccccc2N)cc(C(=O)OC)c1=O ZINC000008702629 395684944 /nfs/dbraw/zinc/68/49/44/395684944.db2.gz UQKTYIHHASFBSC-UHFFFAOYSA-N 0 0 302.286 0.993 50 0 DCAARN CC(=O)Cn1c(=O)c2c(nc3oc(C(C)(C)C)cn32)n(C)c1=O ZINC000008992403 395685033 /nfs/dbraw/zinc/68/50/33/395685033.db2.gz HNZUYYTYLGIYHP-UHFFFAOYSA-N 0 0 318.333 0.827 50 0 DCAARN O=C(c1cccs1)N1CCN(c2ccc3nnnn3n2)CC1 ZINC000008851481 395685042 /nfs/dbraw/zinc/68/50/42/395685042.db2.gz BAOIOLMSCDZFQH-UHFFFAOYSA-N 0 0 315.362 0.543 50 0 DCAARN CSc1nnc(NC(=O)CSc2nc(N)n[nH]2)s1 ZINC000009166429 395685131 /nfs/dbraw/zinc/68/51/31/395685131.db2.gz YKZFVVAEXKUKTA-UHFFFAOYSA-N 0 0 303.398 0.691 50 0 DCAARN CCN1C(=O)C[C@@H](N(C)Cc2nc3ccccc3c(=O)[nH]2)C1=O ZINC000009390044 395685245 /nfs/dbraw/zinc/68/52/45/395685245.db2.gz PGRYSCIYRBRKGQ-GFCCVEGCSA-N 0 0 314.345 0.502 50 0 DCAARN COCCCNC(=O)c1nc(S(C)(=O)=O)ncc1Cl ZINC000009304846 395685353 /nfs/dbraw/zinc/68/53/53/395685353.db2.gz LSHCKWWASFDTET-UHFFFAOYSA-N 0 0 307.759 0.300 50 0 DCAARN CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc3c(c2)OCCO3)C1=O ZINC000009502330 395685377 /nfs/dbraw/zinc/68/53/77/395685377.db2.gz ZBKHPXSULGMUTN-OAHLLOKOSA-N 0 0 319.317 0.823 50 0 DCAARN CNS(=O)(=O)c1cc(NC(=O)c2cnccn2)ccc1C ZINC000009516506 395685408 /nfs/dbraw/zinc/68/54/08/395685408.db2.gz SPXBYKJOFFDFKU-UHFFFAOYSA-N 0 0 306.347 0.945 50 0 DCAARN CC[C@@H](C)NC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12 ZINC000009623301 395685419 /nfs/dbraw/zinc/68/54/19/395685419.db2.gz VCDOHJVXKGBZLI-SECBINFHSA-N 0 0 302.334 0.454 50 0 DCAARN COc1ccccc1NC(=O)COC(=O)C1=NN(C)C(=O)CC1 ZINC000009535660 395685494 /nfs/dbraw/zinc/68/54/94/395685494.db2.gz HORNSVAPUHZCHO-UHFFFAOYSA-N 0 0 319.317 0.785 50 0 DCAARN CCOC(=O)CCn1c(=O)c2c(nc3oc(C)cn32)n(C)c1=O ZINC000009708621 395685530 /nfs/dbraw/zinc/68/55/30/395685530.db2.gz GGRQPENKJUXBOP-UHFFFAOYSA-N 0 0 320.305 0.203 50 0 DCAARN CCCc1cnc2c(c1SCC(N)=O)c(=O)n(C)c(=O)n2C ZINC000010216699 395685904 /nfs/dbraw/zinc/68/59/04/395685904.db2.gz IJRVZNDMWNRVHM-UHFFFAOYSA-N 0 0 322.390 0.162 50 0 DCAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000010543697 395686138 /nfs/dbraw/zinc/68/61/38/395686138.db2.gz PBKJEVRGHUZSJY-UHFFFAOYSA-N 0 0 304.393 0.259 50 0 DCAARN Cn1ncc2c1ncn(CC(=O)NC1CCCCCC1)c2=O ZINC000011430116 395686597 /nfs/dbraw/zinc/68/65/97/395686597.db2.gz KNJJLZDROHGGJJ-UHFFFAOYSA-N 0 0 303.366 0.969 50 0 DCAARN CC(C)C[C@@H](NC(=O)[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-] ZINC000011592555 395686632 /nfs/dbraw/zinc/68/66/32/395686632.db2.gz VGGGPCQERPFHOB-BFHYXJOUSA-N 0 0 308.378 0.533 50 0 DCAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(=O)n(C)n1 ZINC000011780830 395686825 /nfs/dbraw/zinc/68/68/25/395686825.db2.gz QSKXAZYEPZPERI-UHFFFAOYSA-N 0 0 316.317 1.000 50 0 DCAARN CN(C)c1ccc(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011990885 395687010 /nfs/dbraw/zinc/68/70/10/395687010.db2.gz JLEJJYCPUCXXIP-GFCCVEGCSA-N 0 0 318.420 0.681 50 0 DCAARN CCOC(=O)Cc1csc(NC(=O)c2ccc(=O)n(C)n2)n1 ZINC000012169771 395687110 /nfs/dbraw/zinc/68/71/10/395687110.db2.gz OLTSKMPJJRBJSA-UHFFFAOYSA-N 0 0 322.346 0.595 50 0 DCAARN Cc1cccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@@H](C)O)C3)c1 ZINC000012346149 395687464 /nfs/dbraw/zinc/68/74/64/395687464.db2.gz ZERPOGBWZUIPNS-QMTHXVAHSA-N 0 0 301.346 0.826 50 0 DCAARN COc1cccc(N2C[C@@H](C(=O)Nc3nc[nH]n3)CC2=O)c1 ZINC000012390282 395687581 /nfs/dbraw/zinc/68/75/81/395687581.db2.gz PEPANJYWIRYGEU-VIFPVBQESA-N 0 0 301.306 0.805 50 0 DCAARN COc1ccc(OC)c(COC[C@@H](O)CN2CCOCC2)c1 ZINC000012420174 395687630 /nfs/dbraw/zinc/68/76/30/395687630.db2.gz CRVCKARFMVMAGK-AWEZNQCLSA-N 0 0 311.378 0.914 50 0 DCAARN CC(=O)c1ccc(N2CCN(CC(=O)NC(N)=O)CC2)c(F)c1 ZINC000012532859 395687734 /nfs/dbraw/zinc/68/77/34/395687734.db2.gz DDECXFCQDTYORA-UHFFFAOYSA-N 0 0 322.340 0.345 50 0 DCAARN O=C(NC[C@@H]1COCCO1)c1cn(CCc2ccccc2)nn1 ZINC000012707516 395687836 /nfs/dbraw/zinc/68/78/36/395687836.db2.gz KOUPVJFQKXTYIM-CQSZACIVSA-N 0 0 316.361 0.666 50 0 DCAARN CC(C)(C)NC(=O)CNC(=O)CCNC(=O)c1ccccc1 ZINC000012857503 395687983 /nfs/dbraw/zinc/68/79/83/395687983.db2.gz ZPDBQMIAIGHKKK-UHFFFAOYSA-N 0 0 305.378 0.837 50 0 DCAARN NC(=O)C1CCN(C(=O)Cn2c(=O)cnc3ccccc32)CC1 ZINC000012979727 395688312 /nfs/dbraw/zinc/68/83/12/395688312.db2.gz PRSXTYFBFWUWML-UHFFFAOYSA-N 0 0 314.345 0.120 50 0 DCAARN COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)Nc3ncnn32)c1 ZINC000013693207 395688855 /nfs/dbraw/zinc/68/88/55/395688855.db2.gz QLDROEAPKXTEQS-SNVBAGLBSA-N 0 0 317.305 0.817 50 0 DCAARN COc1ccc(CNC(=O)CSc2nc(N)cc(=O)[nH]2)cc1 ZINC000013945456 395689012 /nfs/dbraw/zinc/68/90/12/395689012.db2.gz RLQQUBNPPMMEJD-UHFFFAOYSA-N 0 0 320.374 0.769 50 0 DCAARN Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CCOCC1)CS2 ZINC000014034766 395689126 /nfs/dbraw/zinc/68/91/26/395689126.db2.gz YRKDFEIKHDAYAZ-LLVKDONJSA-N 0 0 309.391 0.756 50 0 DCAARN COc1cccc(NC(=O)CN(C)c2ccc3nnnn3n2)c1 ZINC000014161687 395689197 /nfs/dbraw/zinc/68/91/97/395689197.db2.gz RNJDGZGQYJEVKG-UHFFFAOYSA-N 0 0 313.321 0.603 50 0 DCAARN CCNC(=O)NC(=O)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O ZINC000014170614 395689329 /nfs/dbraw/zinc/68/93/29/395689329.db2.gz QTCGCUIWXNVEMZ-SNVBAGLBSA-N 0 0 318.333 0.689 50 0 DCAARN COC(=O)c1ccc(CNC(=O)C2=NN(C)C(=O)CC2)cc1 ZINC000014190244 395689388 /nfs/dbraw/zinc/68/93/88/395689388.db2.gz MZPPTBMWBFPNRW-UHFFFAOYSA-N 0 0 303.318 0.698 50 0 DCAARN C[C@H]1NC(=O)[C@H]2CN(C(=O)c3ccccc3Cl)CCN2C1=O ZINC000014538382 395689511 /nfs/dbraw/zinc/68/95/11/395689511.db2.gz XNQGTEBKPBNRAX-BXKDBHETSA-N 0 0 321.764 0.511 50 0 DCAARN Cn1nccc1CNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000023193578 395692256 /nfs/dbraw/zinc/69/22/56/395692256.db2.gz FRAUTNZHZMUDHZ-RYUDHWBXSA-N 0 0 304.350 0.212 50 0 DCAARN Cc1cc(C)n(CCC(=O)OCc2nc(N)nc(N(C)C)n2)n1 ZINC000023206528 395692385 /nfs/dbraw/zinc/69/23/85/395692385.db2.gz AHKTWJUZUVGEGJ-UHFFFAOYSA-N 0 0 319.369 0.467 50 0 DCAARN O=C1c2ccccc2N(CN2CCN(c3ncccn3)CC2)C1=O ZINC000024013462 395692758 /nfs/dbraw/zinc/69/27/58/395692758.db2.gz RVGFMKIAYHMCIW-UHFFFAOYSA-N 0 0 323.356 0.786 50 0 DCAARN C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCOCC1 ZINC000025501797 395693450 /nfs/dbraw/zinc/69/34/50/395693450.db2.gz VCOOXUNRMMEHJH-QWHCGFSZSA-N 0 0 306.362 0.663 50 0 DCAARN Cc1ccc(CN2CCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 ZINC000000042792 395679633 /nfs/dbraw/zinc/67/96/33/395679633.db2.gz BJOBGWLZOKTNRR-UHFFFAOYSA-N 0 0 311.345 0.752 50 0 DCAARN [NH3+][C@@H](Cc1ccc(O)c(I)c1)C(=O)[O-] ZINC000000001575 395679682 /nfs/dbraw/zinc/67/96/82/395679682.db2.gz UQTZMGFTRHFAAM-ZETCQYMHSA-N 0 0 307.087 0.951 50 0 endogenous,in-man DCAARN Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)C2)cc1 ZINC000000189514 395679934 /nfs/dbraw/zinc/67/99/34/395679934.db2.gz NDDDMGSZOXUNDX-UHFFFAOYSA-N 0 0 304.393 0.218 50 0 DCAARN CC[C@]1(C)OC(=O)N(CCNC(=O)c2ccnn2C)[C@@]1(C)O ZINC000000140296 395679954 /nfs/dbraw/zinc/67/99/54/395679954.db2.gz PMRRGRINOHJDSC-KBPBESRZSA-N 0 0 310.354 0.479 50 0 DCAARN CCOC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)C1=O ZINC000000163635 395679968 /nfs/dbraw/zinc/67/99/68/395679968.db2.gz KVDMYXVTDGUXKS-GFCCVEGCSA-N 0 0 311.359 0.928 50 0 DCAARN CCS(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000000252406 395680129 /nfs/dbraw/zinc/68/01/29/395680129.db2.gz GPTJXYJJTSGJEF-UHFFFAOYSA-N 0 0 300.355 0.933 50 0 DCAARN O=C(c1ccc(C(=O)N2CCOCC2)nc1)N1CCOCC1 ZINC000000474414 395680428 /nfs/dbraw/zinc/68/04/28/395680428.db2.gz JLCCFFOKOJYZLM-UHFFFAOYSA-N 0 0 305.334 0.026 50 0 DCAARN COC(=O)c1ccccc1NC(=O)CSc1nnnn1C ZINC000000421100 395680443 /nfs/dbraw/zinc/68/04/43/395680443.db2.gz QPJALGCILZMUHL-UHFFFAOYSA-N 0 0 307.335 0.728 50 0 DCAARN CCN1CCO[C@@H](CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000000541691 395680541 /nfs/dbraw/zinc/68/05/41/395680541.db2.gz YQTMGAMMIKDXOD-ZDUSSCGKSA-N 0 0 306.318 0.991 50 0 DCAARN Cn1c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2oc1=O ZINC000002206972 395681358 /nfs/dbraw/zinc/68/13/58/395681358.db2.gz GNEOWRKGOBESGC-SECBINFHSA-N 0 0 312.347 0.589 50 0 DCAARN Cc1nnc(SCC(=O)NCc2ccc(F)cc2)n(N)c1=O ZINC000002652734 395681701 /nfs/dbraw/zinc/68/17/01/395681701.db2.gz GDXSFNQRXBXEJG-UHFFFAOYSA-N 0 0 323.353 0.208 50 0 DCAARN Nc1nnc(SCC(=O)OCC(=O)N2CCCCC2)s1 ZINC000002622153 395681723 /nfs/dbraw/zinc/68/17/23/395681723.db2.gz IDXOEZOMLNITGL-UHFFFAOYSA-N 0 0 316.408 0.768 50 0 DCAARN COC(=O)CNC(=O)[C@H](C)n1ncc(Br)c1C ZINC000002802317 395681871 /nfs/dbraw/zinc/68/18/71/395681871.db2.gz JGIIDYGFIWHNEC-ZETCQYMHSA-N 0 0 304.144 0.804 50 0 DCAARN Cn1cc(S(=O)(=O)NCCCn2cc(Cl)cn2)cn1 ZINC000002803410 395681889 /nfs/dbraw/zinc/68/18/89/395681889.db2.gz USSYCWMUEFUTRL-UHFFFAOYSA-N 0 0 303.775 0.639 50 0 DCAARN Cn1ncc2c1ncnc2N1CCC[C@@H]1C(=O)N1CCOCC1 ZINC000025570507 395693657 /nfs/dbraw/zinc/69/36/57/395693657.db2.gz NUWPVAJANUDGEP-GFCCVEGCSA-N 0 0 316.365 0.191 50 0 DCAARN COC[C@H](C)NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000006728775 395683077 /nfs/dbraw/zinc/68/30/77/395683077.db2.gz IFIRBRPIWCEQNI-JTQLQIEISA-N 0 0 300.380 0.847 50 0 DCAARN NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1cccc(F)c1 ZINC000008065798 395683834 /nfs/dbraw/zinc/68/38/34/395683834.db2.gz KRUVOLOTVWFVPP-LBPRGKRZSA-N 0 0 308.309 0.849 50 0 DCAARN CCCNC(=O)CNC(=O)Cc1ccc(OC)c(OC)c1OC ZINC000007965515 395683904 /nfs/dbraw/zinc/68/39/04/395683904.db2.gz SLLWYBCFFLSVSP-UHFFFAOYSA-N 0 0 324.377 0.897 50 0 DCAARN C[C@H]1CN(C(=O)Cn2nnn(-c3cccs3)c2=O)C[C@H](C)O1 ZINC000029974281 395701320 /nfs/dbraw/zinc/70/13/20/395701320.db2.gz VNRXHPZWXAQTJB-UWVGGRQHSA-N 0 0 323.378 0.126 50 0 DCAARN CC(=O)c1ccccc1NCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000029980394 395701469 /nfs/dbraw/zinc/70/14/69/395701469.db2.gz LWKPOHJDUCPYED-LBPRGKRZSA-N 0 0 324.402 0.947 50 0 DCAARN CNC(=O)COc1cccc(N[C@@H](C)C(=O)N2CCOCC2)c1 ZINC000030492942 395703052 /nfs/dbraw/zinc/70/30/52/395703052.db2.gz ZXQZAPRXYNWNQW-LBPRGKRZSA-N 0 0 321.377 0.471 50 0 DCAARN COc1ccc(OC)c([C@@H](O)CNC(=O)c2nccnc2N)c1 ZINC000031333066 395706378 /nfs/dbraw/zinc/70/63/78/395706378.db2.gz ZMOMPKZDQSVEMN-NSHDSACASA-N 0 0 318.333 0.539 50 0 DCAARN COc1ccc(S(=O)(=O)NCCNc2cnccn2)cc1 ZINC000031584635 395707239 /nfs/dbraw/zinc/70/72/39/395707239.db2.gz SBVGIQORWSKKCS-UHFFFAOYSA-N 0 0 308.363 0.876 50 0 DCAARN CNS(=O)(=O)c1cccc(CNC(=O)c2ccc(=O)[nH]n2)c1 ZINC000031750192 395708175 /nfs/dbraw/zinc/70/81/75/395708175.db2.gz LMRHLCIDEQLHIQ-UHFFFAOYSA-N 0 0 322.346 0.020 50 0 DCAARN COc1ccc(NC(=O)CSc2cnnc(=O)[nH]2)cc1OC ZINC000031773886 395708181 /nfs/dbraw/zinc/70/81/81/395708181.db2.gz OFRDDSYJWFILEB-UHFFFAOYSA-N 0 0 322.346 0.913 50 0 DCAARN Nc1nc2nc[nH]c2c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000031818245 395708490 /nfs/dbraw/zinc/70/84/90/395708490.db2.gz PMGWVRZIVVDKBS-UHFFFAOYSA-N 0 0 313.321 0.491 50 0 DCAARN O=c1c(NS(=O)(=O)c2c[nH]cn2)cccn1CC(F)(F)F ZINC000089103118 395708559 /nfs/dbraw/zinc/70/85/59/395708559.db2.gz FIJHYDHIBWCPPB-UHFFFAOYSA-N 0 0 322.268 0.935 50 0 DCAARN Cc1cc(C)n2ncc(-c3noc(C(=O)NC[C@@H](C)O)n3)c2n1 ZINC000032070114 395709015 /nfs/dbraw/zinc/70/90/15/395709015.db2.gz FLRLMYDAGMBKIB-SECBINFHSA-N 0 0 316.321 0.507 50 0 DCAARN COCCNC(=O)[C@H]1CCCN(c2ccc3nncn3n2)C1 ZINC000032104016 395709405 /nfs/dbraw/zinc/70/94/05/395709405.db2.gz WPZSMNPMEHOGEI-NSHDSACASA-N 0 0 304.354 0.103 50 0 DCAARN COC(=O)[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)C(C)C ZINC000032123934 395709615 /nfs/dbraw/zinc/70/96/15/395709615.db2.gz JOTOAFFXBMONAF-AWEZNQCLSA-N 0 0 317.345 0.710 50 0 biogenic DCAARN Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c2c(=O)[nH]n(C)c2n1 ZINC000032633685 395711947 /nfs/dbraw/zinc/71/19/47/395711947.db2.gz KTIYYHXSOYENOY-NXEZZACHSA-N 0 0 304.350 0.819 50 0 DCAARN C[C@@H]1NC(C(=O)N2CCOCC2)=NN(c2ccccc2)C1=O ZINC000032644955 395711978 /nfs/dbraw/zinc/71/19/78/395711978.db2.gz YTUGSXGDUFERIA-NSHDSACASA-N 0 0 302.334 0.184 50 0 DCAARN CCOCCCNC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000032659318 395712288 /nfs/dbraw/zinc/71/22/88/395712288.db2.gz JOEDZCSNQSSKEP-LBPRGKRZSA-N 0 0 318.377 0.868 50 0 DCAARN COc1ccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000032748110 395712788 /nfs/dbraw/zinc/71/27/88/395712788.db2.gz QAARBDRTGFZJQY-UHFFFAOYSA-N 0 0 317.389 0.732 50 0 DCAARN CCOCCCNC(=O)c1ccccc1CN1C(=O)CNC1=O ZINC000032879869 395714382 /nfs/dbraw/zinc/71/43/82/395714382.db2.gz UJEASGUTLHPVON-UHFFFAOYSA-N 0 0 319.361 0.895 50 0 DCAARN Cn1cnnc1[C@H]1CCCN(C(=O)NCCCn2cccn2)C1 ZINC000089761887 395714989 /nfs/dbraw/zinc/71/49/89/395714989.db2.gz UAQBNMIJZQMSPV-ZDUSSCGKSA-N 0 0 317.397 0.991 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cnc2ccccc2c1O ZINC000032977430 395715171 /nfs/dbraw/zinc/71/51/71/395715171.db2.gz KTGUQIPJSTUZDS-VIFPVBQESA-N 0 0 306.343 0.445 50 0 DCAARN C[C@H](CNC(=O)NCc1ccnc(N(C)C)c1)N1CCOCC1 ZINC000089901126 395716408 /nfs/dbraw/zinc/71/64/08/395716408.db2.gz RKTZODDDYIOCOU-CYBMUJFWSA-N 0 0 321.425 0.668 50 0 DCAARN C[C@@H]1CN(C)CCN1C(=O)c1cccc(N2CCNC2=O)c1 ZINC000089938641 395717219 /nfs/dbraw/zinc/71/72/19/395717219.db2.gz SSZZQEPSUUULBJ-GFCCVEGCSA-N 0 0 302.378 0.992 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)CCO1 ZINC000089939477 395717360 /nfs/dbraw/zinc/71/73/60/395717360.db2.gz PNJAUTFSRKFQOJ-HIFRSBDPSA-N 0 0 318.373 0.661 50 0 DCAARN CN(C)c1ncccc1CNC(=S)NCCN1CCOCC1 ZINC000036845853 395724707 /nfs/dbraw/zinc/72/47/07/395724707.db2.gz CPKJTHKMSLDLNB-UHFFFAOYSA-N 0 0 323.466 0.444 50 0 DCAARN O=C(NCCc1cccnc1)N1CCN(c2cnccn2)CC1 ZINC000026311569 395694232 /nfs/dbraw/zinc/69/42/32/395694232.db2.gz BDBRDXYOPRFBQZ-UHFFFAOYSA-N 0 0 312.377 0.946 50 0 DCAARN CC(C)CCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000028097505 395695773 /nfs/dbraw/zinc/69/57/73/395695773.db2.gz YFWCGDGJNXHNPP-NWDGAFQWSA-N 0 0 316.423 0.184 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000028538749 395696021 /nfs/dbraw/zinc/69/60/21/395696021.db2.gz WEQNEQGDQTUPJZ-UHFFFAOYSA-N 0 0 311.349 0.597 50 0 DCAARN O=C(c1ccc2nncn2c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000084494158 395697654 /nfs/dbraw/zinc/69/76/54/395697654.db2.gz VSEZPIMLDGBFHW-KBPBESRZSA-N 0 0 315.377 0.401 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)COC(=O)C2CC2)c2ccccc2O1 ZINC000029271038 395697782 /nfs/dbraw/zinc/69/77/82/395697782.db2.gz LBYDHMFFVKHELE-LBPRGKRZSA-N 0 0 304.302 0.219 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)[C@@H](C)n3cccn3)CCO2)[nH]1 ZINC000095402169 395740313 /nfs/dbraw/zinc/74/03/13/395740313.db2.gz GHAGGBGHASTIDS-GHMZBOCLSA-N 0 0 304.354 0.725 50 0 DCAARN C[C@@]1(O)CCN(C(=O)c2ccc(-n3ccnc3)cc2)C[C@@H]1O ZINC000096163878 395746621 /nfs/dbraw/zinc/74/66/21/395746621.db2.gz OSKWZZFWFVBSMO-GOEBONIOSA-N 0 0 301.346 0.830 50 0 DCAARN COc1ncccc1NC(=O)NCCS(=O)(=O)N(C)C ZINC000096164505 395746730 /nfs/dbraw/zinc/74/67/30/395746730.db2.gz CEXRRRHINDKGKD-UHFFFAOYSA-N 0 0 302.356 0.103 50 0 DCAARN COCCNC(=O)[C@H]1CC(=O)N(c2cnn(CC(C)C)c2)C1 ZINC000096192225 395748475 /nfs/dbraw/zinc/74/84/75/395748475.db2.gz FMZODLVWQBUVDM-LBPRGKRZSA-N 0 0 308.382 0.655 50 0 DCAARN Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2O)c(C)c1 ZINC000095450339 395741051 /nfs/dbraw/zinc/74/10/51/395741051.db2.gz KXTZSQLRFBRADN-JQWIXIFHSA-N 0 0 304.389 0.235 50 0 DCAARN Cc1ncn(CC(=O)Nc2cnn([C@H]3CCOC3)c2)c(=O)c1C ZINC000096123167 395745533 /nfs/dbraw/zinc/74/55/33/395745533.db2.gz KHSHGZWDBFPUEN-ZDUSSCGKSA-N 0 0 317.349 0.657 50 0 DCAARN Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000096365201 395752836 /nfs/dbraw/zinc/75/28/36/395752836.db2.gz ZQXOCWPUYBSRML-LLVKDONJSA-N 0 0 321.395 0.942 50 0 DCAARN CCS(=O)(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000096470431 395753717 /nfs/dbraw/zinc/75/37/17/395753717.db2.gz WYXJSGJXAGVNOJ-LSDHHAIUSA-N 0 0 310.419 0.921 50 0 DCAARN O[C@@H](COc1ccc(-n2cccn2)cc1)CN1CCOCC1 ZINC000096484807 395753919 /nfs/dbraw/zinc/75/39/19/395753919.db2.gz WKCWMOMFEADLRA-OAHLLOKOSA-N 0 0 303.362 0.944 50 0 DCAARN COC(=O)[C@]12CCC[C@@H]1CN(CC(=O)NCC(F)(F)F)C2 ZINC000097082962 395755222 /nfs/dbraw/zinc/75/52/22/395755222.db2.gz OUEYHVGXDIKKQU-SKDRFNHKSA-N 0 0 308.300 0.940 50 0 DCAARN O=C(Cn1cc(Br)cn1)N[C@@H]1CCc2nccn2C1 ZINC000097197707 395755452 /nfs/dbraw/zinc/75/54/52/395755452.db2.gz BVRNUDDXOGMHRD-SNVBAGLBSA-N 0 0 324.182 0.973 50 0 DCAARN C[C@H](CNc1ncnc2c1cnn2CCO)Cn1cccn1 ZINC000097199924 395755543 /nfs/dbraw/zinc/75/55/43/395755543.db2.gz WBGVLSATMLTFHE-LLVKDONJSA-N 0 0 301.354 0.763 50 0 DCAARN CCc1nnc2n1C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)CC2 ZINC000097199205 395755652 /nfs/dbraw/zinc/75/56/52/395755652.db2.gz UGXGQEPIAFGBCA-NEPJUHHUSA-N 0 0 305.382 0.282 50 0 DCAARN C[C@@H]1CN(CCNc2ncnc3c2cnn3CCO)C[C@H](C)O1 ZINC000097200126 395755681 /nfs/dbraw/zinc/75/56/81/395755681.db2.gz HHGZNYLJYUVLHW-TXEJJXNPSA-N 0 0 320.397 0.340 50 0 DCAARN CN(CCCNC(=O)[C@@H]1CCC(=O)NC(=O)N1)c1ccccc1 ZINC000097334228 395757089 /nfs/dbraw/zinc/75/70/89/395757089.db2.gz IXYYJPVECAADET-ZDUSSCGKSA-N 0 0 318.377 0.617 50 0 DCAARN O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CCC(=O)NC(=O)N1 ZINC000097413191 395757753 /nfs/dbraw/zinc/75/77/53/395757753.db2.gz BYYMHAGZLDAXQP-JTQLQIEISA-N 0 0 319.317 0.062 50 0 DCAARN CC(=O)Nc1nc(C(=O)N[C@@H](C)CN2CCOCC2)cs1 ZINC000046890122 395782050 /nfs/dbraw/zinc/78/20/50/395782050.db2.gz PAEYYZQNIVLYAT-VIFPVBQESA-N 0 0 312.395 0.552 50 0 DCAARN COc1cccc(CNC(=O)NC[C@H]2CCS(=O)(=O)C2)c1 ZINC000045654622 395764492 /nfs/dbraw/zinc/76/44/92/395764492.db2.gz GKSKUFZMZSCVKC-GFCCVEGCSA-N 0 0 312.391 0.929 50 0 DCAARN CN1CCN(c2c(=O)c(=O)c2NCc2ccccc2F)CC1 ZINC000101682368 395766725 /nfs/dbraw/zinc/76/67/25/395766725.db2.gz XNWASHROCIJXIO-UHFFFAOYSA-N 0 0 303.337 0.786 50 0 DCAARN O=C(CCn1cncn1)NCCCNC(=O)c1cccc(O)c1 ZINC000102471571 395770239 /nfs/dbraw/zinc/77/02/39/395770239.db2.gz DMSZFKHRJJMCDR-UHFFFAOYSA-N 0 0 317.349 0.310 50 0 DCAARN CCN1C[C@@H](C(=O)N2CCN(Cc3ccncc3)CC2)CC1=O ZINC000046162763 395771400 /nfs/dbraw/zinc/77/14/00/395771400.db2.gz UOQPQQLSICYNGB-HNNXBMFYSA-N 0 0 316.405 0.594 50 0 DCAARN C[C@H]1CCNC(=O)[C@H]1NC(=O)NCCc1cn2ccccc2n1 ZINC000193750100 395778036 /nfs/dbraw/zinc/77/80/36/395778036.db2.gz UFQVSLHBXXBUJF-FZMZJTMJSA-N 0 0 315.377 0.701 50 0 DCAARN Cc1cc(NC(=O)CSCC(=O)Nc2c[nH]ccc2=O)no1 ZINC000047930075 395803112 /nfs/dbraw/zinc/80/31/12/395803112.db2.gz YLZMATXIIIJSSF-UHFFFAOYSA-N 0 0 322.346 0.982 50 0 DCAARN C[C@H](NC(=O)c1cccnc1N1CCOCC1)C(=O)N(C)C ZINC000048220770 395811046 /nfs/dbraw/zinc/81/10/46/395811046.db2.gz JGMDAFBRRUIUBA-NSHDSACASA-N 0 0 306.366 0.125 50 0 DCAARN COC(=O)CNC(=O)Cn1nc(-c2ccccc2F)ccc1=O ZINC000049544538 395832472 /nfs/dbraw/zinc/83/24/72/395832472.db2.gz PCXKVRALCWWAPE-UHFFFAOYSA-N 0 0 319.292 0.339 50 0 DCAARN Cc1oncc1C(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217734326 395840518 /nfs/dbraw/zinc/84/05/18/395840518.db2.gz BSSCFSJFUBFADH-TXEJJXNPSA-N 0 0 315.329 0.759 50 0 DCAARN O=C(N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1)c1nnc[nH]1 ZINC000218850354 395843995 /nfs/dbraw/zinc/84/39/95/395843995.db2.gz IOSIOYBADJWIDF-ORHYLEIMSA-N 0 0 314.345 0.982 50 0 DCAARN O=C(Cn1cnnc1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 ZINC000218853172 395844010 /nfs/dbraw/zinc/84/40/10/395844010.db2.gz GTDNDCRKERFAOJ-CABCVRRESA-N 0 0 316.361 0.769 50 0 DCAARN Cc1ccc(O[C@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)nn1 ZINC000225459373 395860622 /nfs/dbraw/zinc/86/06/22/395860622.db2.gz QQBZECNLPXWLQG-RYUDHWBXSA-N 0 0 304.350 0.433 50 0 DCAARN CO[C@@H]1COCC[C@H]1NC(=O)c1cc(C(C)C)n2ncnc2n1 ZINC000219664948 395846121 /nfs/dbraw/zinc/84/61/21/395846121.db2.gz UKZMRHITXFFSHC-ZWNOBZJWSA-N 0 0 319.365 0.781 50 0 DCAARN Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(C1CCOCC1)C2 ZINC000219667998 395846340 /nfs/dbraw/zinc/84/63/40/395846340.db2.gz JBKXZWGJUQAFHF-INIZCTEOSA-N 0 0 317.393 0.693 50 0 DCAARN O=C1CN(CCc2ccccc2)C(=O)N1[C@@H]1CCS(=O)(=O)C1 ZINC000225450278 395860758 /nfs/dbraw/zinc/86/07/58/395860758.db2.gz HXBAPTRBLTXTRC-CYBMUJFWSA-N 0 0 322.386 0.680 50 0 DCAARN OCCN1CCN(c2cc(C(F)(F)F)nc3ncnn32)CC1 ZINC000051149419 395846863 /nfs/dbraw/zinc/84/68/63/395846863.db2.gz OKKGCNFYXCXGCR-UHFFFAOYSA-N 0 0 316.287 0.257 50 0 DCAARN CSc1ncc(C(=O)N2CCC[C@]3(CNC(=O)O3)C2)cn1 ZINC000221225989 395850067 /nfs/dbraw/zinc/85/00/67/395850067.db2.gz VYLHTPUILQDKBE-ZDUSSCGKSA-N 0 0 308.363 0.913 50 0 DCAARN O=C(CCn1cnnn1)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000221179641 395850387 /nfs/dbraw/zinc/85/03/87/395850387.db2.gz HTSLOYQEZIJEEH-CQSZACIVSA-N 0 0 316.365 0.666 50 0 DCAARN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)S(=O)(=O)C(C)C ZINC000222050352 395851352 /nfs/dbraw/zinc/85/13/52/395851352.db2.gz NQUWEUSGSNDKKI-GMTAPVOTSA-N 0 0 304.412 0.229 50 0 DCAARN Cc1onc(C(=O)NCCCc2nnc3ccccn32)c1CO ZINC000222839225 395853569 /nfs/dbraw/zinc/85/35/69/395853569.db2.gz UDCOLHCSTYEUBI-UHFFFAOYSA-N 0 0 315.333 0.881 50 0 DCAARN Cc1cc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)n[nH]1 ZINC000047555443 395796055 /nfs/dbraw/zinc/79/60/55/395796055.db2.gz KRWXDOLMGLKONF-UHFFFAOYSA-N 0 0 302.290 0.815 50 0 DCAARN O=C(CCCn1cncn1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000054017058 395892042 /nfs/dbraw/zinc/89/20/42/395892042.db2.gz LAVXVLKYGDDURM-ZDUSSCGKSA-N 0 0 315.381 0.634 50 0 DCAARN CCNC(=O)[C@@H]1CCN(C(=O)CSc2nnc(CC)[nH]2)C1 ZINC000055108558 395911551 /nfs/dbraw/zinc/91/15/51/395911551.db2.gz JQJDCORUASVMIB-SECBINFHSA-N 0 0 311.411 0.444 50 0 DCAARN Cn1cc(NC(=O)C(=O)N2CCCC[C@H]2c2ncc[nH]2)cn1 ZINC000126379077 395912541 /nfs/dbraw/zinc/91/25/41/395912541.db2.gz XKHFTJRQDXDJRY-NSHDSACASA-N 0 0 302.338 0.836 50 0 DCAARN O=C(NCc1ccnc(NC(=O)[C@@H]2CCCO2)c1)[C@H]1CCCO1 ZINC000273413336 395920108 /nfs/dbraw/zinc/92/01/08/395920108.db2.gz WNDZRLYCKZBQLA-OLZOCXBDSA-N 0 0 319.361 0.994 50 0 DCAARN CCNC(=O)N1[C@H](CC(=O)OCC)C(=O)N[C@H]2CCCC[C@H]21 ZINC000239412386 395923069 /nfs/dbraw/zinc/92/30/69/395923069.db2.gz SQEFPRNRXQHVOA-QJPTWQEYSA-N 0 0 311.382 0.781 50 0 DCAARN Cn1ccnc1C(=O)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 ZINC000244882647 395925658 /nfs/dbraw/zinc/92/56/58/395925658.db2.gz XVTCWTODANXUNS-MJBXVCDLSA-N 0 0 300.362 0.927 50 0 DCAARN Cn1cc([C@@H](NC(=O)CCc2cnccn2)[C@H]2C[C@H](O)C2)cn1 ZINC000244873317 395925705 /nfs/dbraw/zinc/92/57/05/395925705.db2.gz WOANCVAFQHRILX-PJODQICGSA-N 0 0 315.377 0.771 50 0 DCAARN COCCOc1cc(C(=O)N2CCC(C(N)=O)CC2)ccn1 ZINC000245170829 395926839 /nfs/dbraw/zinc/92/68/39/395926839.db2.gz XIEKTDLHVYQWBG-UHFFFAOYSA-N 0 0 307.350 0.444 50 0 DCAARN CCN1CCN(C(=O)[C@H](C)N(C)CCc2cnccn2)CC1 ZINC000271376494 395862061 /nfs/dbraw/zinc/86/20/61/395862061.db2.gz SCUSFOOMULBDSM-AWEZNQCLSA-N 0 0 305.426 0.504 50 0 DCAARN Cn1cccc1C(=O)NCCn1c(=O)[nH]c2ccsc2c1=O ZINC000225806075 395863531 /nfs/dbraw/zinc/86/35/31/395863531.db2.gz YIKFJELCKISWGN-UHFFFAOYSA-N 0 0 318.358 0.520 50 0 DCAARN Cn1ncc2c1ncnc2N1CCC(N2CCNC2=O)CC1 ZINC000052486927 395863954 /nfs/dbraw/zinc/86/39/54/395863954.db2.gz OKHGWJWJHXSHQS-UHFFFAOYSA-N 0 0 301.354 0.357 50 0 DCAARN Cc1nc(S(=O)(=O)NCc2c3c(nn2C)CCC3)cn1C ZINC000225819413 395863969 /nfs/dbraw/zinc/86/39/69/395863969.db2.gz SFPKBFWFPOAQME-UHFFFAOYSA-N 0 0 309.395 0.429 50 0 DCAARN CCCNS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(F)c1 ZINC000226686853 395867333 /nfs/dbraw/zinc/86/73/33/395867333.db2.gz ZSHKKNYSHFSAQO-UHFFFAOYSA-N 0 0 318.370 0.981 50 0 DCAARN COc1ccc([C@@H]2CCCN2C(=O)CN(C)CC(N)=O)cc1 ZINC000052831692 395871211 /nfs/dbraw/zinc/87/12/11/395871211.db2.gz UFGPEDIUJHCHNI-AWEZNQCLSA-N 0 0 305.378 0.776 50 0 DCAARN COc1cc(C)c([C@@H](C)NC(=O)CN(C)CC(N)=O)cc1OC ZINC000052832099 395871305 /nfs/dbraw/zinc/87/13/05/395871305.db2.gz DIATVJAVZGWYIO-LLVKDONJSA-N 0 0 323.393 0.607 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)COc2cccc(F)c2)cn1 ZINC000053323497 395880521 /nfs/dbraw/zinc/88/05/21/395880521.db2.gz KBAMQYULGXXRDK-UHFFFAOYSA-N 0 0 306.297 0.786 50 0 DCAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCO[C@H]2CCC[C@@H]21 ZINC000053382518 395881744 /nfs/dbraw/zinc/88/17/44/395881744.db2.gz SUPLMUJAOYLGII-RYUDHWBXSA-N 0 0 321.377 0.631 50 0 DCAARN CCCN(CC)c1ccc(C(=O)NCCS(N)(=O)=O)cc1 ZINC000058342538 395953176 /nfs/dbraw/zinc/95/31/76/395953176.db2.gz FOYPNCXNUHROPH-UHFFFAOYSA-N 0 0 313.423 0.941 50 0 DCAARN CC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000061477379 395967608 /nfs/dbraw/zinc/96/76/08/395967608.db2.gz ODXDNYFQSUIVKW-CQSZACIVSA-N 0 0 317.393 0.384 50 0 DCAARN Cc1ccnc(C[C@@H](C)N(C)C(=O)c2cc(=O)[nH]c(=O)[nH]2)c1 ZINC000063868718 395983482 /nfs/dbraw/zinc/98/34/82/395983482.db2.gz AIJMVECTSQSVHU-SNVBAGLBSA-N 0 0 302.334 0.882 50 0 DCAARN O=S(=O)(NC[C@H]1CN2CCC[C@H]2CO1)c1cccs1 ZINC000064345385 395986699 /nfs/dbraw/zinc/98/66/99/395986699.db2.gz XKFSGPAPYXTYEO-QWRGUYRKSA-N 0 0 302.421 0.890 50 0 DCAARN COCCNC(=O)CCNC(=O)N1CCSc2ncccc21 ZINC000064816919 395989282 /nfs/dbraw/zinc/98/92/82/395989282.db2.gz ORVKEAPXAWCJEX-UHFFFAOYSA-N 0 0 324.406 0.856 50 0 DCAARN CCNC(=O)c1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000065245963 395991021 /nfs/dbraw/zinc/99/10/21/395991021.db2.gz FLKRRFRRDPADLG-UHFFFAOYSA-N 0 0 303.322 0.718 50 0 DCAARN COc1nccnc1NC1CCN(S(=O)(=O)N(C)C)CC1 ZINC000065268547 395992242 /nfs/dbraw/zinc/99/22/42/395992242.db2.gz SWBKBRULEYHVRN-UHFFFAOYSA-N 0 0 315.399 0.168 50 0 DCAARN CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCCCC1 ZINC000065562193 395995179 /nfs/dbraw/zinc/99/51/79/395995179.db2.gz KJNHCNVUEHSXGX-UHFFFAOYSA-N 0 0 318.420 0.728 50 0 DCAARN COc1ccnc(N2CCN(C(=O)c3cscn3)CC2)n1 ZINC000065608571 395995371 /nfs/dbraw/zinc/99/53/71/395995371.db2.gz NWWLWOMTTXERTG-UHFFFAOYSA-N 0 0 305.363 0.904 50 0 DCAARN CC(C)S(=O)(=O)N1CC[C@H](N[C@H]2C[C@@H](C)OC2=O)[C@H](C)C1 ZINC000252667894 396024012 /nfs/dbraw/zinc/02/40/12/396024012.db2.gz DNRFLUSWJPMOCL-NDBYEHHHSA-N 0 0 318.439 0.729 50 0 DCAARN COC[C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)C[C@H]1C(N)=O ZINC000253414410 396027904 /nfs/dbraw/zinc/02/79/04/396027904.db2.gz XKKJJTKHDBMWAG-WDEREUQCSA-N 0 0 310.325 0.654 50 0 DCAARN Cn1cccc1C(=O)N[C@@H]1CN(c2ncccn2)C[C@H]1CO ZINC000253413663 396028133 /nfs/dbraw/zinc/02/81/33/396028133.db2.gz VJFXWUMPGMHXGO-NWDGAFQWSA-N 0 0 301.350 0.042 50 0 DCAARN CO[C@H]1C[C@H](C(=O)NC[C@H]2CC[C@@H](C)C2)N(S(C)(=O)=O)C1 ZINC000253430535 396028966 /nfs/dbraw/zinc/02/89/66/396028966.db2.gz MNVLNCZVUVXEBD-MROQNXINSA-N 0 0 318.439 0.588 50 0 DCAARN COc1ccc(S(=O)(=O)N2CC[C@@H](n3nccn3)C2)cc1 ZINC000253472538 396029592 /nfs/dbraw/zinc/02/95/92/396029592.db2.gz NKJVMMFETWFJMV-LLVKDONJSA-N 0 0 308.363 0.922 50 0 DCAARN Cn1nccc1CCC(=O)N[C@H]1C[C@H](c2cc(=O)[nH]cn2)C1 ZINC000253535358 396029731 /nfs/dbraw/zinc/02/97/31/396029731.db2.gz MTDOEHHWENWSGL-XYPYZODXSA-N 0 0 301.350 0.911 50 0 DCAARN Cc1cc(N2CCC[C@@H](Cn3cc(C(=O)[O-])nn3)C2)nc(N)[nH+]1 ZINC000067642641 396029796 /nfs/dbraw/zinc/02/97/96/396029796.db2.gz GOZILLXNBKJXCA-SNVBAGLBSA-N 0 0 317.353 0.574 50 0 DCAARN CC(=O)N1CCC(C(=O)NCCNc2nc(C)cc(=O)[nH]2)CC1 ZINC000253536710 396030781 /nfs/dbraw/zinc/03/07/81/396030781.db2.gz LQCLWVICFUEPQT-UHFFFAOYSA-N 0 0 321.381 0.277 50 0 DCAARN Cn1nccc1C(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCCCC1 ZINC000257186488 396034001 /nfs/dbraw/zinc/03/40/01/396034001.db2.gz KLZKIYSHCPLRRR-AAEUAGOBSA-N 0 0 308.357 0.985 50 0 DCAARN CN(C)S(=O)(=O)N1CC(c2nc(-c3ccncc3)nn2C)C1 ZINC000257173949 396034446 /nfs/dbraw/zinc/03/44/46/396034446.db2.gz AQOSUZDSSZIIAX-UHFFFAOYSA-N 0 0 322.394 0.083 50 0 DCAARN O=C(COCc1ccccc1)N1CCCOCCNC(=O)CC1 ZINC000257191193 396034784 /nfs/dbraw/zinc/03/47/84/396034784.db2.gz PMIHYLBCOUDKCZ-UHFFFAOYSA-N 0 0 320.389 0.958 50 0 DCAARN COCCn1c(C)cc(C(=O)N2C[C@@H](CO)[C@H]([NH+](C)C)C2)c1C ZINC000257189541 396035334 /nfs/dbraw/zinc/03/53/34/396035334.db2.gz NVRWQYBQDVFEAX-GOEBONIOSA-N 0 0 323.437 0.746 50 0 DCAARN COC[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1c1ccccn1 ZINC000257195133 396036230 /nfs/dbraw/zinc/03/62/30/396036230.db2.gz VLRGNLYMBWJYKF-LSDHHAIUSA-N 0 0 319.405 0.602 50 0 DCAARN CN1CCN([C@H]2C[N@H+](Cc3ccccc3C(=O)[O-])C[C@@H]2O)CC1 ZINC000067872247 396037350 /nfs/dbraw/zinc/03/73/50/396037350.db2.gz RMAFBCTXNSXYJS-HOTGVXAUSA-N 0 0 319.405 0.177 50 0 DCAARN O=C(NCc1ccoc1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000069142497 396070824 /nfs/dbraw/zinc/07/08/24/396070824.db2.gz SKBWOUUACWBZBG-AWEZNQCLSA-N 0 0 321.377 0.077 50 0 DCAARN O=C(c1ccc(S(=O)(=O)NCCCO)cc1)N1CCCC1 ZINC000252484253 396021168 /nfs/dbraw/zinc/02/11/68/396021168.db2.gz FSZFYVKAHSPTSP-UHFFFAOYSA-N 0 0 312.391 0.583 50 0 DCAARN Cc1ccc(CNC(=O)CN2CCN(C[C@@H](C)O)CC2)cc1F ZINC000069652253 396086198 /nfs/dbraw/zinc/08/61/98/396086198.db2.gz FNZAWOBGFYJDAQ-CQSZACIVSA-N 0 0 323.412 0.749 50 0 DCAARN C[C@@H](O)CN1CCN(CC(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000069656479 396086357 /nfs/dbraw/zinc/08/63/57/396086357.db2.gz NKFGAIMAYWYSMZ-CQSZACIVSA-N 0 0 323.412 0.783 50 0 DCAARN CCN1C[C@@H](C(=O)N2CCC(Nc3cccnn3)CC2)CC1=O ZINC000069779842 396090163 /nfs/dbraw/zinc/09/01/63/396090163.db2.gz BBFGHVUQVLQQQT-LBPRGKRZSA-N 0 0 317.393 0.748 50 0 DCAARN Cn1ncc(N2CCC[C@@H](CC(=O)N3CCOCC3)C2)cc1=O ZINC000169763297 396090922 /nfs/dbraw/zinc/09/09/22/396090922.db2.gz ZWEDEIDGUGQYPQ-ZDUSSCGKSA-N 0 0 320.393 0.246 50 0 DCAARN CCC(=O)N1CCN([C@H]2CCN(Cc3cccnc3)C2=O)CC1 ZINC000169752167 396091134 /nfs/dbraw/zinc/09/11/34/396091134.db2.gz RDCJUBTVKFFGBJ-HNNXBMFYSA-N 0 0 316.405 0.737 50 0 DCAARN CN([C@H]1CCc2nn(CC3CC3)c(=O)n2CC1)S(C)(=O)=O ZINC000169783443 396091958 /nfs/dbraw/zinc/09/19/58/396091958.db2.gz BGJULSDZXQWVMJ-NSHDSACASA-N 0 0 314.411 0.051 50 0 DCAARN CCCS(=O)(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1 ZINC000169783654 396092658 /nfs/dbraw/zinc/09/26/58/396092658.db2.gz RZLJCSGSFLBWGO-UHFFFAOYSA-N 0 0 314.411 0.053 50 0 DCAARN COCCC(=O)N1CCC(N2C(=O)[C@@H](O)C23CCCCC3)CC1 ZINC000169788606 396092737 /nfs/dbraw/zinc/09/27/37/396092737.db2.gz QXZSBQIJMHWPTK-OAHLLOKOSA-N 0 0 324.421 0.920 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)NCC(F)(F)F ZINC000170081382 396094426 /nfs/dbraw/zinc/09/44/26/396094426.db2.gz VWTDZPDZRKGZPX-HTQZYQBOSA-N 0 0 317.333 0.708 50 0 DCAARN CON(CCO)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000170602727 396095089 /nfs/dbraw/zinc/09/50/89/396095089.db2.gz UQKGDHANNSYXEE-LLVKDONJSA-N 0 0 312.391 0.983 50 0 DCAARN COC(=O)C(C)(C)NC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000170617152 396095838 /nfs/dbraw/zinc/09/58/38/396095838.db2.gz KKGLZFWOLRJMJM-VIFPVBQESA-N 0 0 322.365 0.860 50 0 DCAARN NS(=O)(=O)c1ccc(CCNc2ncnc3n[nH]cc32)s1 ZINC000170633062 396096364 /nfs/dbraw/zinc/09/63/64/396096364.db2.gz KUSBYHPMYCNMNO-UHFFFAOYSA-N 0 0 324.391 0.716 50 0 DCAARN C[C@@H](Cc1cccc(F)c1)C(=O)O[C@H]1CC(=O)N(CC(N)=O)C1 ZINC000069967870 396096459 /nfs/dbraw/zinc/09/64/59/396096459.db2.gz SEVBBIUZNJYBMB-GWCFXTLKSA-N 0 0 322.336 0.634 50 0 DCAARN C[C@@H](NC(=O)NC[C@H](C)N1CCOCC1)C(=O)N1CCCC1 ZINC000070018888 396098373 /nfs/dbraw/zinc/09/83/73/396098373.db2.gz VGZXUBOQIBZBAD-QWHCGFSZSA-N 0 0 312.414 0.017 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)N[C@H](C)C2)cc1 ZINC000070076743 396099975 /nfs/dbraw/zinc/09/99/75/396099975.db2.gz RBLGUFOCTZKCGE-GHMZBOCLSA-N 0 0 311.407 0.417 50 0 DCAARN CNC(=O)[C@H]1CCCN1CC(=O)N(C)Cc1cccc(OC)c1 ZINC000170928754 396101415 /nfs/dbraw/zinc/10/14/15/396101415.db2.gz NJMNJLZVYLPOCQ-OAHLLOKOSA-N 0 0 319.405 0.864 50 0 DCAARN COc1cccc([C@H]2CCCN2C(=O)CN2C(=O)CNC2=O)c1 ZINC000071794568 396115056 /nfs/dbraw/zinc/11/50/56/396115056.db2.gz UQJLZLWMAOPVAB-CYBMUJFWSA-N 0 0 317.345 0.911 50 0 DCAARN O=C([O-])CC[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000071793323 396115544 /nfs/dbraw/zinc/11/55/44/396115544.db2.gz DLLJESZMSWTNEC-UHFFFAOYSA-N 0 0 305.378 0.395 50 0 DCAARN CCSc1ccc([C@H](C)NC(=O)NC(C(N)=O)C(N)=O)cc1 ZINC000071803249 396115546 /nfs/dbraw/zinc/11/55/46/396115546.db2.gz GBDOAFYHBYVRSE-QMMMGPOBSA-N 0 0 324.406 0.498 50 0 DCAARN Cc1cccc(CN(CC(=O)N2CCNC(=O)C2)C2CC2)c1 ZINC000071810994 396115569 /nfs/dbraw/zinc/11/55/69/396115569.db2.gz OMYYWOZAPYLGFV-UHFFFAOYSA-N 0 0 301.390 0.918 50 0 DCAARN O=C(N[C@H]1CC(=O)N(Cc2ccccc2)C1)N1CCOCC1 ZINC000071856572 396118468 /nfs/dbraw/zinc/11/84/68/396118468.db2.gz GOMRPTQFYYXTOG-AWEZNQCLSA-N 0 0 303.362 0.829 50 0 DCAARN Cc1ccnc2nc(C(=O)N3CCN4CCCC[C@H]4C3)nn21 ZINC000071839845 396118784 /nfs/dbraw/zinc/11/87/84/396118784.db2.gz ZVTQBLHXMVEAIX-LBPRGKRZSA-N 0 0 300.366 0.743 50 0 DCAARN c1cnnc(N2CCC[C@H](NCc3nnnn3C3CC3)C2)c1 ZINC000071859694 396119407 /nfs/dbraw/zinc/11/94/07/396119407.db2.gz VLMUWXIPONLIFJ-NSHDSACASA-N 0 0 300.370 0.557 50 0 DCAARN NC(=O)CN1CCC(NC(=O)COc2ccccc2F)CC1 ZINC000071892801 396123350 /nfs/dbraw/zinc/12/33/50/396123350.db2.gz CEHLUDIJXBMJJM-UHFFFAOYSA-N 0 0 309.341 0.270 50 0 DCAARN CCNC(=O)N[C@H]1CN(C(=O)c2ccccc2O)C[C@@H]1OC ZINC000071898215 396124294 /nfs/dbraw/zinc/12/42/94/396124294.db2.gz FASBFPFRRRJCDZ-AAEUAGOBSA-N 0 0 307.350 0.551 50 0 DCAARN CN(C[C@@H](O)COCc1ccccc1)c1ccc2nnnn2n1 ZINC000071900393 396124642 /nfs/dbraw/zinc/12/46/42/396124642.db2.gz HQYMYFZJCAJKDV-CYBMUJFWSA-N 0 0 314.349 0.533 50 0 DCAARN CCc1ccc(CC(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000072295691 396130023 /nfs/dbraw/zinc/13/00/23/396130023.db2.gz LFHFEQPCKCWHDX-INIZCTEOSA-N 0 0 301.346 0.602 50 0 DCAARN CCOC(=O)CC[C@H](NC(=O)CCCOC)C(=O)OCC ZINC000072288595 396130082 /nfs/dbraw/zinc/13/00/82/396130082.db2.gz LFLASQHEDNRFFM-NSHDSACASA-N 0 0 303.355 0.804 50 0 DCAARN CC(=O)N1CCC[C@H]1C(=O)NCCc1nnc2ccccn21 ZINC000069367669 396075663 /nfs/dbraw/zinc/07/56/63/396075663.db2.gz PZMCXXDENSQMLL-LBPRGKRZSA-N 0 0 301.350 0.399 50 0 DCAARN COCC(=O)N1CCN(C(=O)C2=Cc3ccccc3OC2)CC1 ZINC000069370862 396075903 /nfs/dbraw/zinc/07/59/03/396075903.db2.gz MWPJAYAMBUBIRU-UHFFFAOYSA-N 0 0 316.357 0.780 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2O)C1 ZINC000069347552 396076032 /nfs/dbraw/zinc/07/60/32/396076032.db2.gz YRLNLCXCKCKATH-GFCCVEGCSA-N 0 0 312.391 0.475 50 0 DCAARN Cc1noc([C@H](C)N2CCN(CCN3CCCC3=O)CC2)n1 ZINC000069385514 396076425 /nfs/dbraw/zinc/07/64/25/396076425.db2.gz OFZCRCWHVFYFDJ-LBPRGKRZSA-N 0 0 307.398 0.679 50 0 DCAARN Cc1cc(C)cc(C2(C(=O)N3CCN(CC(N)=O)CC3)CC2)c1 ZINC000069485016 396080456 /nfs/dbraw/zinc/08/04/56/396080456.db2.gz DFFCZJNHBOENJM-UHFFFAOYSA-N 0 0 315.417 0.965 50 0 DCAARN CCN(CC)S(=O)(=O)N1CSC[C@H]1C(=O)N(C)C1CC1 ZINC000069517379 396081467 /nfs/dbraw/zinc/08/14/67/396081467.db2.gz FDWSEMZHOFBNFQ-NSHDSACASA-N 0 0 321.468 0.569 50 0 DCAARN CN1CCN(C(=O)NCCN2CCOCC2)Cc2ccccc21 ZINC000069567046 396083016 /nfs/dbraw/zinc/08/30/16/396083016.db2.gz RZYNGLCDINBQAU-UHFFFAOYSA-N 0 0 318.421 0.980 50 0 DCAARN Cc1cc(C)n(C[C@H]2CCCCN2C(=O)Cn2cnnn2)n1 ZINC000075129621 396176548 /nfs/dbraw/zinc/17/65/48/396176548.db2.gz NADLPBXECOZDDY-CYBMUJFWSA-N 0 0 303.370 0.568 50 0 DCAARN CCOCCNC(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O ZINC000075121669 396176909 /nfs/dbraw/zinc/17/69/09/396176909.db2.gz UQGAUBVATPBJLF-UHFFFAOYSA-N 0 0 316.361 0.836 50 0 DCAARN COCCN(C)C(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O ZINC000075121786 396176917 /nfs/dbraw/zinc/17/69/17/396176917.db2.gz MREMKXQRAVTQQE-UHFFFAOYSA-N 0 0 316.361 0.788 50 0 DCAARN Cc1noc(CCCC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)n1 ZINC000076045563 396193026 /nfs/dbraw/zinc/19/30/26/396193026.db2.gz WLLWAPPCCJYBRK-NSHDSACASA-N 0 0 320.353 0.727 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)CCO2)[nH]1 ZINC000076044897 396193233 /nfs/dbraw/zinc/19/32/33/396193233.db2.gz UCKXYCSWHCZXBD-LBPRGKRZSA-N 0 0 302.338 0.927 50 0 DCAARN CCCc1nnc([C@H]2CN(CCN3CCCC3=O)CCO2)[nH]1 ZINC000076049410 396193672 /nfs/dbraw/zinc/19/36/72/396193672.db2.gz PGPKASNHJXNUSJ-GFCCVEGCSA-N 0 0 307.398 0.753 50 0 DCAARN Cc1cc(OCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)no1 ZINC000076053956 396195143 /nfs/dbraw/zinc/19/51/43/396195143.db2.gz QBFQAGYRNUJDKE-YPMHNXCESA-N 0 0 309.366 0.541 50 0 DCAARN O=c1cc(Cn2cc(Cl)c(=O)[nH]c2=O)nc2ccccn12 ZINC000076092695 396196608 /nfs/dbraw/zinc/19/66/08/396196608.db2.gz KDSMGARLFPTWHN-UHFFFAOYSA-N 0 0 304.693 0.246 50 0 DCAARN Cc1nc([C@@H]2CCCN2C(=O)CN2CCOCC2=O)cs1 ZINC000280436168 396200877 /nfs/dbraw/zinc/20/08/77/396200877.db2.gz JYKFCXLUYSVHLQ-LBPRGKRZSA-N 0 0 309.391 0.974 50 0 DCAARN Cn1ccnc1N1CCN(c2cnn(C)c(=O)c2Cl)CC1 ZINC000078293504 396241739 /nfs/dbraw/zinc/24/17/39/396241739.db2.gz VXPUEPBDYAPISZ-UHFFFAOYSA-N 0 0 308.773 0.494 50 0 DCAARN Cn1ccc(CN2CCO[C@H](CNc3cccnn3)C2)cc1=O ZINC000078893464 396256919 /nfs/dbraw/zinc/25/69/19/396256919.db2.gz VVVWDGKZFOUNAZ-CQSZACIVSA-N 0 0 315.377 0.488 50 0 DCAARN O=C(CCn1cncn1)N1CCN(c2cc(Cl)ncn2)CC1 ZINC000078997905 396259530 /nfs/dbraw/zinc/25/95/30/396259530.db2.gz OIDJQDUIDNLARL-UHFFFAOYSA-N 0 0 321.772 0.460 50 0 DCAARN CN(C)c1ncc(CN2CCC(NS(C)(=O)=O)CC2)s1 ZINC000077321936 396218549 /nfs/dbraw/zinc/21/85/49/396218549.db2.gz QEDWMDMTZFAJFX-UHFFFAOYSA-N 0 0 318.468 0.723 50 0 DCAARN CN(Cc1cc(-c2cccnc2)no1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000077407636 396221373 /nfs/dbraw/zinc/22/13/73/396221373.db2.gz IRAJQTFITYOOHM-CYBMUJFWSA-N 0 0 315.333 0.719 50 0 DCAARN CC(=O)c1c(C)nn(CCC(=O)N2CCOC[C@H](CO)C2)c1C ZINC000077437433 396222503 /nfs/dbraw/zinc/22/25/03/396222503.db2.gz PDKUMXUOZOUDPD-AWEZNQCLSA-N 0 0 323.393 0.560 50 0 DCAARN CCN1CC2(CC1=O)CCN(C(=O)Cn1nc(C)nc1C)CC2 ZINC000077485584 396224109 /nfs/dbraw/zinc/22/41/09/396224109.db2.gz URJLSWPWBRZNSJ-UHFFFAOYSA-N 0 0 319.409 0.756 50 0 DCAARN O=C(CN1C(=O)CNC1=O)N1CCCC[C@H]1CCn1ccnc1 ZINC000077487108 396224376 /nfs/dbraw/zinc/22/43/76/396224376.db2.gz JNYHSXLXUVORRQ-LBPRGKRZSA-N 0 0 319.365 0.206 50 0 DCAARN Cn1c(CN2CCCCC2)nnc1C1CCN(C(=O)CO)CC1 ZINC000077534887 396225454 /nfs/dbraw/zinc/22/54/54/396225454.db2.gz VOPLLOSJXCHAJV-UHFFFAOYSA-N 0 0 321.425 0.499 50 0 DCAARN CN(C)S(=O)(=O)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000190416414 396406649 /nfs/dbraw/zinc/40/66/49/396406649.db2.gz PZBVILVZLWJOQO-UHFFFAOYSA-N 0 0 301.755 0.968 50 0 DCAARN CNC(=O)CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191312566 396417963 /nfs/dbraw/zinc/41/79/63/396417963.db2.gz NYVJCQVWLNLRTO-UHFFFAOYSA-N 0 0 323.344 0.815 50 0 DCAARN CN(C)c1noc(CN2CCC(C)(C)S(=O)(=O)CC2)n1 ZINC000192825031 396438086 /nfs/dbraw/zinc/43/80/86/396438086.db2.gz RNQIHQCYYSSTHP-UHFFFAOYSA-N 0 0 302.400 0.535 50 0 DCAARN CCn1cc([C@@H]2CN(Cc3nc(N(C)C)no3)CCO2)cn1 ZINC000192821525 396438340 /nfs/dbraw/zinc/43/83/40/396438340.db2.gz PTJCLAXXJWJYKF-LBPRGKRZSA-N 0 0 306.370 0.926 50 0 DCAARN CN1CCN(C(=O)c2cccc3c2CCC3=O)C[C@@H]1CCO ZINC000584884042 396631388 /nfs/dbraw/zinc/63/13/88/396631388.db2.gz NDKDCFRPBQJTQT-LBPRGKRZSA-N 0 0 302.374 0.954 50 0 DCAARN O=C(CCCN1CCCC1=O)N1CCN(C(=O)C2CCC2)CC1 ZINC000584886868 396632266 /nfs/dbraw/zinc/63/22/66/396632266.db2.gz WDBJQSRTEDJZMJ-UHFFFAOYSA-N 0 0 321.421 0.860 50 0 DCAARN CNc1ncccc1C(=O)N1CC[C@@]2(C1)CN(C)C(=O)CO2 ZINC000584887607 396633100 /nfs/dbraw/zinc/63/31/00/396633100.db2.gz RTFUTSRNECRHHJ-HNNXBMFYSA-N 0 0 304.350 0.197 50 0 DCAARN CCc1cc(N2CCN(C(=O)c3cncn3C)CC2)ncn1 ZINC000584890741 396634264 /nfs/dbraw/zinc/63/42/64/396634264.db2.gz BJCFUDNGUJJKGN-UHFFFAOYSA-N 0 0 300.366 0.735 50 0 DCAARN O=C(C[C@H]1CCCOC1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000584897674 396635770 /nfs/dbraw/zinc/63/57/70/396635770.db2.gz MHNDVYHWJQWEJR-CQSZACIVSA-N 0 0 324.421 0.901 50 0 DCAARN COc1ncccc1C(=O)N1CCN(c2cnsn2)CC1 ZINC000585148862 396642247 /nfs/dbraw/zinc/64/22/47/396642247.db2.gz LARGDMANEPBOOK-UHFFFAOYSA-N 0 0 305.363 0.904 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3N2)C1 ZINC000315009707 396787910 /nfs/dbraw/zinc/78/79/10/396787910.db2.gz DGPLSVDPYXBBTK-JSGCOSHPSA-N 0 0 323.418 0.563 50 0 DCAARN CO[C@@H]1COCC[C@H]1NC(=O)c1cc(C)n2nc(C)cc2n1 ZINC000222269531 285788341 /nfs/dbraw/zinc/78/83/41/285788341.db2.gz XZCXCZOMNRHOSH-DGCLKSJQSA-N 0 0 304.350 0.880 50 0 DCAARN O=C(Cn1nc(-c2ccco2)ccc1=O)NCCn1ccnc1 ZINC000604418589 397639462 /nfs/dbraw/zinc/63/94/62/397639462.db2.gz BEMOSRKUVSFWKD-UHFFFAOYSA-N 0 0 313.317 0.516 50 0 DCAARN COCC(=O)NCc1ccccc1CS(=O)(=O)NC(C)C ZINC000027239356 292180891 /nfs/dbraw/zinc/18/08/91/292180891.db2.gz OZILUDXPTXEMQO-UHFFFAOYSA-N 0 0 314.407 0.777 50 0 DCAARN COc1ccc(C(=O)N2CCN([C@@H]3CCN(C)C3=O)CC2)cc1 ZINC000116272012 286276469 /nfs/dbraw/zinc/27/64/69/286276469.db2.gz YUWJRTZKEFWNGB-OAHLLOKOSA-N 0 0 317.389 0.684 50 0 DCAARN COc1ccc2c(c1)CCC[C@@]21NC(=O)N(CCC(N)=O)C1=O ZINC000040477482 286393381 /nfs/dbraw/zinc/39/33/81/286393381.db2.gz XQUVHIAGNYFIIZ-MRXNPFEDSA-N 0 0 317.345 0.654 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)c1cc2ccccc2[nH]c1=O ZINC000044908209 286613362 /nfs/dbraw/zinc/61/33/62/286613362.db2.gz ATMPVQUVVFFVQF-UHFFFAOYSA-N 0 0 323.374 0.197 50 0 DCAARN NC(=O)[C@]1(O)CCCN(C(=O)CNC(=O)c2cccs2)C1 ZINC000330368481 159165242 /nfs/dbraw/zinc/16/52/42/159165242.db2.gz QDFOEBCLKSIPMD-ZDUSSCGKSA-N 0 0 311.363 0.367 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CCn1ccnc1 ZINC000330519151 159184856 /nfs/dbraw/zinc/18/48/56/159184856.db2.gz YXHMJTZXRHSZFW-LBPRGKRZSA-N 0 0 314.411 0.204 50 0 DCAARN NC(=O)[C@]1(O)CCCN(C(=O)c2ccn(C3CCCC3)n2)C1 ZINC000375679151 159809949 /nfs/dbraw/zinc/80/99/49/159809949.db2.gz WAFWYMIPSGOTKK-HNNXBMFYSA-N 0 0 306.366 0.451 50 0 DCAARN C[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(N2CCCC2)ccn1 ZINC000192577610 287059061 /nfs/dbraw/zinc/05/90/61/287059061.db2.gz MFJKRTLOTNWLHU-GFCCVEGCSA-N 0 0 302.378 0.985 50 0 DCAARN CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CCO1 ZINC000065612585 287154184 /nfs/dbraw/zinc/15/41/84/287154184.db2.gz ZHVXANXDHORJFT-NEPJUHHUSA-N 0 0 304.412 0.438 50 0 DCAARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1nccs1 ZINC000013551956 415150260 /nfs/dbraw/zinc/15/02/60/415150260.db2.gz RUOVBJKQQKNBRE-UHFFFAOYSA-N 0 0 302.315 0.785 50 0 DCAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1nccnc1N ZINC000012727520 415151340 /nfs/dbraw/zinc/15/13/40/415151340.db2.gz QUEQFILNEVNSNM-UHFFFAOYSA-N 0 0 303.297 0.909 50 0 DCAARN Cn1c([O-])c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=O ZINC000020412353 415155147 /nfs/dbraw/zinc/15/51/47/415155147.db2.gz WXNNBDUPPXJWHN-CYBMUJFWSA-N 0 0 312.329 0.496 50 0 biogenic DCAARN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000025170332 415157347 /nfs/dbraw/zinc/15/73/47/415157347.db2.gz ZDBIEURQGJRHDG-LLVKDONJSA-N 0 0 309.410 0.618 50 0 DCAARN O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NC(C1CC1)C1CC1 ZINC000022990033 415157807 /nfs/dbraw/zinc/15/78/07/415157807.db2.gz MRDABPDJAQIWNQ-UHFFFAOYSA-N 0 0 313.357 0.995 50 0 DCAARN CNC(=O)CNC(=O)c1ccc(OCc2noc(C)n2)cc1 ZINC000025267561 415160417 /nfs/dbraw/zinc/16/04/17/415160417.db2.gz NSMQIABOZSSPHT-UHFFFAOYSA-N 0 0 304.306 0.433 50 0 DCAARN Clc1nc(N2CCOCC2)nc(N2CCSCC2)n1 ZINC000000063653 415125237 /nfs/dbraw/zinc/12/52/37/415125237.db2.gz QAIKQFQIULCYBR-UHFFFAOYSA-N 0 0 301.803 0.915 50 0 DCAARN Cc1cc(C)n(-c2ncc3c(n2)N(CCO)CCOC3=O)n1 ZINC000000533463 415125669 /nfs/dbraw/zinc/12/56/69/415125669.db2.gz IQROGKFRSIENIV-UHFFFAOYSA-N 0 0 303.322 0.248 50 0 DCAARN COC(=O)COC(=O)c1ccc(-n2nnnc2SC)cc1 ZINC000000540166 415126716 /nfs/dbraw/zinc/12/67/16/415126716.db2.gz PZSFVUHKNFAVQY-UHFFFAOYSA-N 0 0 308.319 0.714 50 0 DCAARN CC(=O)NC(=S)NN1C(=O)C2=CC=CC3=CC=C[C@@H](C1=O)[C@H]32 ZINC000005786778 415132082 /nfs/dbraw/zinc/13/20/82/415132082.db2.gz WNLVCUZCWPNPJT-PWSUYJOCSA-N 0 0 315.354 0.506 50 0 DCAARN CN(C(=O)CSc1ncccn1)[C@H]1CCS(=O)(=O)C1 ZINC000006912613 415133636 /nfs/dbraw/zinc/13/36/36/415133636.db2.gz QFNPYRHBJBIMMG-VIFPVBQESA-N 0 0 301.393 0.214 50 0 DCAARN Cc1cc(C)c(CNC(=O)C[C@@H]2CCS(=O)(=O)C2)c(=O)[nH]1 ZINC000007118691 415136602 /nfs/dbraw/zinc/13/66/02/415136602.db2.gz ONZUMAGPTZFPCS-NSHDSACASA-N 0 0 312.391 0.433 50 0 DCAARN COC(=O)[C@@H](CC(C)C)NC(=O)COc1ccc(C(N)=O)cc1 ZINC000007467636 415139383 /nfs/dbraw/zinc/13/93/83/415139383.db2.gz OWTHECSWKVGTQR-CYBMUJFWSA-N 0 0 322.361 0.868 50 0 DCAARN COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCO)C3)cc1 ZINC000007573162 415139642 /nfs/dbraw/zinc/13/96/42/415139642.db2.gz LIEQBSJICUFCJK-ZDUSSCGKSA-N 0 0 303.318 0.138 50 0 DCAARN COc1c(C)cnc2c1c(=O)n(Cc1cccnc1)c(=O)n2C ZINC000009571483 415144478 /nfs/dbraw/zinc/14/44/78/415144478.db2.gz KMZLBJBXVBAZPG-UHFFFAOYSA-N 0 0 312.329 0.856 50 0 DCAARN NC(=O)[C@@H]1CCCN(C(=O)COC(=O)CCc2ccccc2)C1 ZINC000007893780 415145477 /nfs/dbraw/zinc/14/54/77/415145477.db2.gz ILGXJPPMFOYWFF-CQSZACIVSA-N 0 0 318.373 0.886 50 0 DCAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NC(C)C)[C@@H]4C2=O)no1 ZINC000009184084 415145993 /nfs/dbraw/zinc/14/59/93/415145993.db2.gz RCKHCDWBFREXRZ-XNIJJKJLSA-N 0 0 317.345 0.794 50 0 DCAARN Cc1cnc(C(=O)NCc2ccc(N3CCOCC3)nc2)cn1 ZINC000010718483 415148722 /nfs/dbraw/zinc/14/87/22/415148722.db2.gz OTLCFPPXXFCXTC-UHFFFAOYSA-N 0 0 313.361 0.947 50 0 DCAARN CN(CCn1nc2ccccn2c1=O)CC(=O)N1CCCC1 ZINC000026909750 415170295 /nfs/dbraw/zinc/17/02/95/415170295.db2.gz CKPGYRIXQYCRLO-UHFFFAOYSA-N 0 0 303.366 0.050 50 0 DCAARN O=C1c2ccccc2C(=O)N1CCCCN1CCNC(=O)C1 ZINC000026848248 415170998 /nfs/dbraw/zinc/17/09/98/415170998.db2.gz ZFXVSNUVNCAXHA-UHFFFAOYSA-N 0 0 301.346 0.495 50 0 DCAARN C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)[C@@H]1CCCO1 ZINC000027888590 415173927 /nfs/dbraw/zinc/17/39/27/415173927.db2.gz KGFYLJJNARQADR-PWSUYJOCSA-N 0 0 304.412 0.342 50 0 DCAARN COC(=O)CNC(=O)[C@@]1(C)Oc2ccc(Cl)cc2NC1=O ZINC000041550340 415199875 /nfs/dbraw/zinc/19/98/75/415199875.db2.gz NDPOWTAPRXASCI-CYBMUJFWSA-N 0 0 312.709 0.719 50 0 DCAARN CC(=O)N[C@H](C(=O)NCCC(=O)Nc1ccccn1)C(C)C ZINC000044936518 415233798 /nfs/dbraw/zinc/23/37/98/415233798.db2.gz GDUYZVXHUWDQCA-AWEZNQCLSA-N 0 0 306.366 0.687 50 0 DCAARN Cn1cnnc1S(=O)(=O)CC(=O)N1CCc2ccccc2C1 ZINC000044947165 415234544 /nfs/dbraw/zinc/23/45/44/415234544.db2.gz CTQJMEAGSWMVFD-UHFFFAOYSA-N 0 0 320.374 0.174 50 0 DCAARN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)S(=O)(=O)c1nncn1C ZINC000044947180 415235029 /nfs/dbraw/zinc/23/50/29/415235029.db2.gz LMIGAWNIBLXLBS-MXWKQRLJSA-N 0 0 314.411 0.672 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N(CCOC)C2CC2)o1 ZINC000044972922 415238460 /nfs/dbraw/zinc/23/84/60/415238460.db2.gz CRDZXVWRHSDVRW-UHFFFAOYSA-N 0 0 302.352 0.439 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)N(C[C@@H]1CCOC1)C1CC1 ZINC000044968217 415238992 /nfs/dbraw/zinc/23/89/92/415238992.db2.gz GEQFVISXVBXTQG-RYUDHWBXSA-N 0 0 316.423 0.632 50 0 DCAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cn[nH]c1 ZINC000044979761 415244202 /nfs/dbraw/zinc/24/42/02/415244202.db2.gz VYNTUZPKRQXETG-QMMMGPOBSA-N 0 0 319.346 0.475 50 0 DCAARN CC(C)N1C[C@H](C(=O)NCCNC(=O)c2ccccc2)CC1=O ZINC000046196116 415254359 /nfs/dbraw/zinc/25/43/59/415254359.db2.gz UUFXRPAVFJVXOH-CQSZACIVSA-N 0 0 317.389 0.790 50 0 DCAARN O=C(NCc1nnc2ccccn21)[C@H]1CC(=O)N(CC2CC2)C1 ZINC000046318977 415257965 /nfs/dbraw/zinc/25/79/65/415257965.db2.gz UCBIGDMGNRSDST-LBPRGKRZSA-N 0 0 313.361 0.604 50 0 DCAARN CC(C)N1C[C@H](C(=O)NCCNC(=O)c2cccs2)CC1=O ZINC000046202674 415258380 /nfs/dbraw/zinc/25/83/80/415258380.db2.gz DWQNBUFUAUKKSZ-LLVKDONJSA-N 0 0 323.418 0.851 50 0 DCAARN COc1ccccc1S(=O)(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000044457616 415221197 /nfs/dbraw/zinc/22/11/97/415221197.db2.gz HEEYUZVDQAPLOJ-SNVBAGLBSA-N 0 0 319.404 0.408 50 0 DCAARN CN(Cc1cccnc1)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000044515390 415222376 /nfs/dbraw/zinc/22/23/76/415222376.db2.gz QALUTJICXSPXFZ-MRXNPFEDSA-N 0 0 316.361 0.761 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000044709524 415224352 /nfs/dbraw/zinc/22/43/52/415224352.db2.gz SGOLMBGXUZZXPI-VXGBXAGGSA-N 0 0 321.308 0.324 50 0 DCAARN O=C(NCCNC(=O)C1CCN(C(=O)NC2CC2)CC1)C1CC1 ZINC000044835294 415226806 /nfs/dbraw/zinc/22/68/06/415226806.db2.gz ZKJOEHMLBBCPRT-UHFFFAOYSA-N 0 0 322.409 0.213 50 0 DCAARN COCCNC(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000044892572 415228388 /nfs/dbraw/zinc/22/83/88/415228388.db2.gz FBOGZEOPDYQJNG-CYBMUJFWSA-N 0 0 311.382 0.907 50 0 DCAARN CCOC(=O)c1ccc(S(=O)(=O)NCCCC(N)=O)cc1 ZINC000044867193 415229885 /nfs/dbraw/zinc/22/98/85/415229885.db2.gz XYRCZMSHJKMBGZ-UHFFFAOYSA-N 0 0 314.363 0.407 50 0 DCAARN CNC(=O)NC(=O)CCN(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000044907416 415230267 /nfs/dbraw/zinc/23/02/67/415230267.db2.gz RIJDMTQJQBMZQU-UHFFFAOYSA-N 0 0 317.349 0.201 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)NCc2ccco2)CC1 ZINC000048455527 415292076 /nfs/dbraw/zinc/29/20/76/415292076.db2.gz FSACQCSZLNPXCE-UHFFFAOYSA-N 0 0 301.368 0.503 50 0 DCAARN C[C@@H](NC(=O)NC(C(N)=O)C(N)=O)c1ccc(Cl)s1 ZINC000048448224 415292988 /nfs/dbraw/zinc/29/29/88/415292988.db2.gz JXYGWGXKEMYPLB-SCSAIBSYSA-N 0 0 304.759 0.101 50 0 DCAARN NS(=O)(=O)c1ccc(N[C@H]2CCN(c3ccccn3)C2)nc1 ZINC000342789155 415297881 /nfs/dbraw/zinc/29/78/81/415297881.db2.gz ZVXCTADEMMWVMD-NSHDSACASA-N 0 0 319.390 0.815 50 0 DCAARN O=C([C@@H]1COc2ccccc2O1)N1Cc2cnn(CCO)c2C1 ZINC000067605179 415380476 /nfs/dbraw/zinc/38/04/76/415380476.db2.gz ZLWICDSAQGJIQJ-HNNXBMFYSA-N 0 0 315.329 0.558 50 0 DCAARN COc1cccc2c1NC(=O)C[C@H]2C(=O)NCC(=O)NC(C)C ZINC000067674683 415381112 /nfs/dbraw/zinc/38/11/12/415381112.db2.gz VEZSNIACFDJBSZ-LLVKDONJSA-N 0 0 319.361 0.762 50 0 DCAARN O=C(NC[C@H](O)CO)c1cc(COc2ccccc2F)n[nH]1 ZINC000067786601 415387244 /nfs/dbraw/zinc/38/72/44/415387244.db2.gz RRXXFPVWNHVZSZ-JTQLQIEISA-N 0 0 309.297 0.211 50 0 DCAARN Cc1nnc2c(N3CCN(c4ccnc(C)n4)CC3)nccn12 ZINC000353273498 415493878 /nfs/dbraw/zinc/49/38/78/415493878.db2.gz DLTFWPOFPIRLAO-UHFFFAOYSA-N 0 0 310.365 0.858 50 0 DCAARN CC[C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1N1CCOCC1 ZINC000084736084 415500614 /nfs/dbraw/zinc/50/06/14/415500614.db2.gz URICKAZSSNCIFF-TZMCWYRMSA-N 0 0 320.393 0.668 50 0 DCAARN O=C(NCCN1C(=O)CNC1=O)c1ccc(C(F)(F)F)cc1 ZINC000074802472 415432967 /nfs/dbraw/zinc/43/29/67/415432967.db2.gz CADXQQFMZUGBJO-UHFFFAOYSA-N 0 0 315.251 0.987 50 0 DCAARN Cc1cc(NC(=O)C(=O)NC[C@]2(O)CCc3ccccc32)no1 ZINC000075155747 415437774 /nfs/dbraw/zinc/43/77/74/415437774.db2.gz AYERJKCGHWXSFU-MRXNPFEDSA-N 0 0 315.329 0.872 50 0 DCAARN COc1ccc(-n2nnc(C(=O)NCc3ccccn3)n2)cc1 ZINC000075163460 415442980 /nfs/dbraw/zinc/44/29/80/415442980.db2.gz RHCIRKUZKCQRBM-UHFFFAOYSA-N 0 0 310.317 0.996 50 0 DCAARN CC(C)(NC(=O)c1ccoc1)c1nc2c(c(C(N)=O)n1)OCO2 ZINC000075558466 415444590 /nfs/dbraw/zinc/44/45/90/415444590.db2.gz XZVCHJPFHOLCIG-UHFFFAOYSA-N 0 0 318.289 0.562 50 0 DCAARN CCCc1noc2ncc(C(=O)N3CCN(CCO)CC3)cc12 ZINC000075572796 415445272 /nfs/dbraw/zinc/44/52/72/415445272.db2.gz HGSKDKOZKIIAGQ-UHFFFAOYSA-N 0 0 318.377 0.925 50 0 DCAARN COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(CCO)CC2)cc1 ZINC000075604801 415452526 /nfs/dbraw/zinc/45/25/26/415452526.db2.gz OOAJMLUNEUCJPO-HOTGVXAUSA-N 0 0 304.390 0.935 50 0 DCAARN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CO)cc1 ZINC000095349454 415548713 /nfs/dbraw/zinc/54/87/13/415548713.db2.gz WPZVNAPXARJXAS-MNOVXSKESA-N 0 0 314.407 0.874 50 0 DCAARN CO[C@H]1CCCOC12CCN(C(=O)c1ccc(=O)n(C)n1)CC2 ZINC000095357636 415552511 /nfs/dbraw/zinc/55/25/11/415552511.db2.gz HGHJWOHRCRTVRT-ZDUSSCGKSA-N 0 0 321.377 0.581 50 0 DCAARN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccnc(N)c2)on1 ZINC000095356034 415554334 /nfs/dbraw/zinc/55/43/34/415554334.db2.gz XBPVMKZSJIKMQI-YPMHNXCESA-N 0 0 302.334 0.948 50 0 DCAARN Cn1nc(Cn2cncn2)nc1CCc1ccc2c(c1)OCO2 ZINC000095379014 415558473 /nfs/dbraw/zinc/55/84/73/415558473.db2.gz JAQOASCHMGKCCS-UHFFFAOYSA-N 0 0 312.333 0.969 50 0 DCAARN CCN1C[C@H](NS(=O)(=O)C[C@H]2CCCC2(F)F)CC1=O ZINC000333113252 415558744 /nfs/dbraw/zinc/55/87/44/415558744.db2.gz SOGQPMYULBXANI-NXEZZACHSA-N 0 0 310.366 0.962 50 0 DCAARN COCC(=O)N1CCC[C@@H](C(=O)N(C)CCc2noc(C)n2)C1 ZINC000095379148 415559953 /nfs/dbraw/zinc/55/99/53/415559953.db2.gz LGKDAGIFTIMYTH-GFCCVEGCSA-N 0 0 324.381 0.264 50 0 DCAARN COCCOc1ccc(NC(=O)N[C@@H]2CCCCNC2=O)cn1 ZINC000095950642 415564187 /nfs/dbraw/zinc/56/41/87/415564187.db2.gz OVGYWMSAWWJLMZ-GFCCVEGCSA-N 0 0 322.365 0.897 50 0 DCAARN NS(=O)(=O)c1ccc(F)c(C(=O)OC[C@@H]2CCCO2)c1 ZINC000095948033 415565503 /nfs/dbraw/zinc/56/55/03/415565503.db2.gz HYWCILSNPMCGTK-QMMMGPOBSA-N 0 0 303.311 0.809 50 0 DCAARN Cc1noc([C@H]2CCCN(C(=O)c3ccc(C(N)=O)nc3)C2)n1 ZINC000095956366 415567601 /nfs/dbraw/zinc/56/76/01/415567601.db2.gz IQOZUTGGRXJHIY-NSHDSACASA-N 0 0 315.333 0.892 50 0 DCAARN COCC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000096005360 415568127 /nfs/dbraw/zinc/56/81/27/415568127.db2.gz ZZLIUJKYBICTMO-LBPRGKRZSA-N 0 0 304.412 0.486 50 0 DCAARN CN1CCN(C)[C@H](CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000095957605 415569565 /nfs/dbraw/zinc/56/95/65/415569565.db2.gz DOPVMDNHIJQCKE-SECBINFHSA-N 0 0 323.871 0.926 50 0 DCAARN Cc1nc(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCCC2)oc1C ZINC000096407662 415577367 /nfs/dbraw/zinc/57/73/67/415577367.db2.gz XPTCILJDRLOWOT-QWHCGFSZSA-N 0 0 313.423 0.642 50 0 DCAARN Cn1cc(/C=C\C(=O)N2CCC(NC(=O)C3CC3)CC2)cn1 ZINC000097079615 415581411 /nfs/dbraw/zinc/58/14/11/415581411.db2.gz OATYFEUBLBLBQO-DJWKRKHSSA-N 0 0 302.378 0.951 50 0 DCAARN COC(=O)[C@@H](Nc1ccn(CC(N)=O)n1)c1ccc(F)cc1 ZINC000097162135 415586311 /nfs/dbraw/zinc/58/63/11/415586311.db2.gz JFKAOPJXNDWDHP-ZDUSSCGKSA-N 0 0 306.297 0.834 50 0 DCAARN O=C([O-])CCn1cc(CN2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)cn1 ZINC000097772951 415589107 /nfs/dbraw/zinc/58/91/07/415589107.db2.gz DRNCFLIGVVEWBO-GJZGRUSLSA-N 0 0 322.409 0.389 50 0 DCAARN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC(=O)NC1CCCC1 ZINC000102636609 415599983 /nfs/dbraw/zinc/59/99/83/415599983.db2.gz UPLLCKDPPKREPJ-TXEJJXNPSA-N 0 0 321.377 0.930 50 0 DCAARN CCc1[nH]nc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)c1C ZINC000299759329 416064919 /nfs/dbraw/zinc/06/49/19/416064919.db2.gz QNZIVFNDKAGTAY-QWHCGFSZSA-N 0 0 316.365 0.858 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)[C@H]3CCS(=O)(=O)C3)nc2c1 ZINC000299773351 416065598 /nfs/dbraw/zinc/06/55/98/416065598.db2.gz FIUFABIQQFGJCK-VIFPVBQESA-N 0 0 323.374 0.622 50 0 DCAARN CC(=O)N1CCCC[C@H]1C(=O)NCCc1nc(C)cc(=O)[nH]1 ZINC000299763233 416065732 /nfs/dbraw/zinc/06/57/32/416065732.db2.gz PQRIZPFLTORWJN-LBPRGKRZSA-N 0 0 306.366 0.550 50 0 DCAARN CC(=O)N1CCCC[C@@H]1C(=O)NCCc1nc(C)cc(=O)[nH]1 ZINC000299763230 416065797 /nfs/dbraw/zinc/06/57/97/416065797.db2.gz PQRIZPFLTORWJN-GFCCVEGCSA-N 0 0 306.366 0.550 50 0 DCAARN Cc1noc([C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)n1 ZINC000299782754 416066769 /nfs/dbraw/zinc/06/67/69/416066769.db2.gz DUYBBAAHVLQXSD-SECBINFHSA-N 0 0 321.337 0.024 50 0 DCAARN CCC(=O)N1CCC(NC(=O)c2cn(C)c(C)cc2=O)CC1 ZINC000299793506 416069398 /nfs/dbraw/zinc/06/93/98/416069398.db2.gz IAYWXGLIBJMTNB-UHFFFAOYSA-N 0 0 305.378 0.825 50 0 DCAARN O=C(Nc1ccccc1)C(=O)N1CCC2(CCC(=O)N2)CC1 ZINC000299788460 416069517 /nfs/dbraw/zinc/06/95/17/416069517.db2.gz SIOWCVUXRXLDKV-UHFFFAOYSA-N 0 0 301.346 0.896 50 0 DCAARN CCc1cc(C(=O)NC[C@H]2CN(C(C)=O)CCO2)cc(=O)[nH]1 ZINC000299802449 416071068 /nfs/dbraw/zinc/07/10/68/416071068.db2.gz MDGWNFQTSZMQFZ-ZDUSSCGKSA-N 0 0 307.350 0.327 50 0 DCAARN CN1CCO[C@H](C(=O)N[C@@H](C[S@](C)=O)c2ccccc2)C1 ZINC000174323140 416076411 /nfs/dbraw/zinc/07/64/11/416076411.db2.gz GOTSNOMZBXSYGM-RXSFTSLZSA-N 0 0 310.419 0.553 50 0 DCAARN COC(=O)[C@@H](Cc1ccc(N2CCOCC2)cc1)NC(C)=O ZINC000169620363 416025912 /nfs/dbraw/zinc/02/59/12/416025912.db2.gz CASYLQXBOISREB-OAHLLOKOSA-N 0 0 306.362 0.743 50 0 DCAARN CS(=O)(=O)CCN1C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C1=O ZINC000170592487 416027195 /nfs/dbraw/zinc/02/71/95/416027195.db2.gz FSBOEHYQQQZCLZ-VWYCJHECSA-N 0 0 300.380 0.626 50 0 DCAARN Cc1nc(Cl)ccc1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000192508892 416307263 /nfs/dbraw/zinc/30/72/63/416307263.db2.gz FUHPBEGTEKDAAI-UHFFFAOYSA-N 0 0 308.725 0.543 50 0 DCAARN O=S(=O)(c1cccnc1)N1CCS[C@@H]2COCC[C@H]21 ZINC000247280031 416332779 /nfs/dbraw/zinc/33/27/79/416332779.db2.gz SSOHABSUVWXQKN-VXGBXAGGSA-N 0 0 300.405 0.977 50 0 DCAARN CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc2cc[nH]c21 ZINC000216108800 416327336 /nfs/dbraw/zinc/32/73/36/416327336.db2.gz JOUYSDKMWAZCIO-CYBMUJFWSA-N 0 0 300.362 0.604 50 0 DCAARN CCn1ncnc1CN1CCC[C@@H](c2nnc(CO)n2C)C1 ZINC000216242346 416327478 /nfs/dbraw/zinc/32/74/78/416327478.db2.gz BZPWWXAJGQNTOF-LLVKDONJSA-N 0 0 305.386 0.298 50 0 DCAARN Cc1cc(C(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc(C)n1 ZINC000216522769 416327552 /nfs/dbraw/zinc/32/75/52/416327552.db2.gz NDCVSWZFSIXXEH-ZDUSSCGKSA-N 0 0 304.394 0.626 50 0 DCAARN O=C(N[C@H]1C[C@H](c2cc(N3CCCC3)ncn2)C1)c1cn[nH]n1 ZINC000244626821 416330443 /nfs/dbraw/zinc/33/04/43/416330443.db2.gz FTJBSDPOKNMEBB-XYPYZODXSA-N 0 0 313.365 0.871 50 0 DCAARN c1coc(-c2noc(CN3CCN(c4nc[nH]n4)CC3)n2)c1 ZINC000244595105 416330560 /nfs/dbraw/zinc/33/05/60/416330560.db2.gz DOSZHMUSORZTRH-UHFFFAOYSA-N 0 0 301.310 0.770 50 0 DCAARN Nc1n[nH]c(CCNC(=O)CCc2nc3cc(F)ccc3[nH]2)n1 ZINC000534643495 416506940 /nfs/dbraw/zinc/50/69/40/416506940.db2.gz HFWVINXRQXSIKD-UHFFFAOYSA-N 0 0 317.328 0.694 50 0 DCAARN CC1(C)C[C@@H](S(=O)(=O)NCC[C@@]2(O)CCCOC2)CO1 ZINC000585123416 416517310 /nfs/dbraw/zinc/51/73/10/416517310.db2.gz PSYYSOLLUAIHFO-YPMHNXCESA-N 0 0 307.412 0.405 50 0 DCAARN Cc1ccc(Cl)cc1NC(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000585120131 416518163 /nfs/dbraw/zinc/51/81/63/416518163.db2.gz UGGKPZGCVMAMAN-UWVGGRQHSA-N 0 0 324.768 0.699 50 0 DCAARN COc1cccc(CCNS(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000441547646 416676222 /nfs/dbraw/zinc/67/62/22/416676222.db2.gz QSUXJFNGHDGHCQ-UHFFFAOYSA-N 0 0 310.379 0.653 50 0 DCAARN CCNC(=O)[C@H](C)NC(=O)c1ccc(-c2ccnc(N)n2)cc1 ZINC000426489749 416770210 /nfs/dbraw/zinc/77/02/10/416770210.db2.gz PUIHUYNGOVQARE-JTQLQIEISA-N 0 0 313.361 0.980 50 0 DCAARN CC(=O)NC(C)(C)C(=O)N1CCC(c2ccnc(N)n2)CC1 ZINC000426652016 416778258 /nfs/dbraw/zinc/77/82/58/416778258.db2.gz QTQYSUHHQRJCGX-UHFFFAOYSA-N 0 0 305.382 0.680 50 0 DCAARN CCn1nncc1CNC(=O)N[C@@H](c1nccn1C)C1CC1 ZINC000527928409 417286776 /nfs/dbraw/zinc/28/67/76/417286776.db2.gz BUJBPQUGLNRBLN-GFCCVEGCSA-N 0 0 303.370 0.982 50 0 DCAARN CCOC[C@H]1CN(C(=O)NC[C@@H]2CCN(C)C(=O)C2)CCO1 ZINC000528027754 417294725 /nfs/dbraw/zinc/29/47/25/417294725.db2.gz RXTHYLTXJVOJPH-CHWSQXEVSA-N 0 0 313.398 0.302 50 0 DCAARN C[C@H](Oc1ccccc1)C(=O)N1CC[C@H](N2C(=O)CNC2=O)C1 ZINC000575607315 417539999 /nfs/dbraw/zinc/53/99/99/417539999.db2.gz SHZFLOBMTVVMIG-RYUDHWBXSA-N 0 0 317.345 0.607 50 0 DCAARN Cn1cc(-c2nccnc2CNC(=O)c2cccn(C)c2=O)cn1 ZINC000575620451 417541086 /nfs/dbraw/zinc/54/10/86/417541086.db2.gz SSSGTVIBJUATHP-UHFFFAOYSA-N 0 0 324.344 0.506 50 0 DCAARN CCCCN(C)c1ccc(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000529781399 417508191 /nfs/dbraw/zinc/50/81/91/417508191.db2.gz RRHIVUSQVGMGDW-CABCVRRESA-N 0 0 319.405 0.984 50 0 DCAARN Cc1cc2cccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)c2o1 ZINC000299779711 229433574 /nfs/dbraw/zinc/43/35/74/229433574.db2.gz SOGSPBDPWGIQAY-VXGBXAGGSA-N 0 0 309.343 0.629 50 0 DCAARN CCn1nc(CO)c2c1CCN(C(=O)Cc1cc(C)no1)C2 ZINC000299798408 229457135 /nfs/dbraw/zinc/45/71/35/229457135.db2.gz RXQXVQGEOVWBGJ-UHFFFAOYSA-N 0 0 304.350 0.819 50 0 DCAARN NS(=O)(=O)C[C@H]1CCN(C(=O)Cn2ccc3ccccc32)C1 ZINC000299801875 229461959 /nfs/dbraw/zinc/46/19/59/229461959.db2.gz ZVRYPDHTXLFWGM-LBPRGKRZSA-N 0 0 321.402 0.778 50 0 DCAARN CCOC(=O)Cn1cnc2c(nnn2-c2ccc(C)cc2)c1=O ZINC000004434653 276281468 /nfs/dbraw/zinc/28/14/68/276281468.db2.gz JCGRWWOCFOBNFM-UHFFFAOYSA-N 0 0 313.317 0.849 50 0 DCAARN CN1CCCN(S(=O)(=O)N2CCc3ccccc3C2)CC1 ZINC000048253923 277052127 /nfs/dbraw/zinc/05/21/27/277052127.db2.gz BUWGYVVHWQKJGE-UHFFFAOYSA-N 0 0 309.435 0.927 50 0 DCAARN COc1ccccc1[C@H]1CNC(=O)c2[nH]c(C(N)=O)nc2C1 ZINC000065424253 277472836 /nfs/dbraw/zinc/47/28/36/277472836.db2.gz YAIJABBSNQQXNR-MRVPVSSYSA-N 0 0 300.318 0.587 50 0 DCAARN CC(C)NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O ZINC000036704077 277652046 /nfs/dbraw/zinc/65/20/46/277652046.db2.gz AEZFYZSYHSLYIR-MRXNPFEDSA-N 0 0 317.345 0.741 50 0 DCAARN C[C@H]1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCCO1 ZINC000215786863 278414318 /nfs/dbraw/zinc/41/43/18/278414318.db2.gz NKWZXQILSXXTLQ-VIFPVBQESA-N 0 0 303.318 0.467 50 0 DCAARN O=C1NC[C@@H]2CN(Cc3ccc(Cl)cc3F)CCN2C1=O ZINC000189087727 280292351 /nfs/dbraw/zinc/29/23/51/280292351.db2.gz LEHAAKAQQPFXFO-LLVKDONJSA-N 0 0 311.744 0.622 50 0 DCAARN CC(C)[C@H](NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(N)=O ZINC000241653365 280293675 /nfs/dbraw/zinc/29/36/75/280293675.db2.gz PUMQJBXNRUZVRU-WZRBSPASSA-N 0 0 323.393 0.178 50 0 DCAARN CC(C)c1ccc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c(=O)n1C ZINC000299763491 280593877 /nfs/dbraw/zinc/59/38/77/280593877.db2.gz XDHANRAPZBOALV-LLVKDONJSA-N 0 0 319.361 0.785 50 0 DCAARN CN(C(=O)[C@@H]1CCCCC(=O)N1)C(C)(C)CN1CCOCC1 ZINC000408520876 288881685 /nfs/dbraw/zinc/88/16/85/288881685.db2.gz VJZLMZDCAHPOMR-ZDUSSCGKSA-N 0 0 311.426 0.614 50 0 DCAARN CN(C(=O)[C@H]1CC(=O)Nc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000040488070 288903620 /nfs/dbraw/zinc/90/36/20/288903620.db2.gz SZIKDGASECNMMS-JQWIXIFHSA-N 0 0 322.386 0.758 50 0 DCAARN C[C@@]1(NC(=O)c2cnc3ccccc3n2)CCS(=O)(=O)C1 ZINC000006848738 289201574 /nfs/dbraw/zinc/20/15/74/289201574.db2.gz AYKXIIIASQDNPO-CQSZACIVSA-N 0 0 305.359 0.937 50 0 DCAARN Cc1cc(NC(=O)NCCN(C)S(C)(=O)=O)n(C(C)C)n1 ZINC000095509769 301353532 /nfs/dbraw/zinc/35/35/32/301353532.db2.gz JDLKFFAFEPZAFW-UHFFFAOYSA-N 0 0 317.415 0.785 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CCC3(CC2)OCCS3)c1 ZINC000096025918 303016800 /nfs/dbraw/zinc/01/68/00/303016800.db2.gz MPPAEQHPASPNJZ-UHFFFAOYSA-N 0 0 303.409 0.664 50 0 DCAARN NC(=O)Cn1cc(C(=O)N2CCCC[C@@H]2c2nccs2)nn1 ZINC000076042992 303262244 /nfs/dbraw/zinc/26/22/44/303262244.db2.gz VXLKIEHVZZPSLX-SNVBAGLBSA-N 0 0 320.378 0.587 50 0 DCAARN O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1ccccn1 ZINC000044911479 303785883 /nfs/dbraw/zinc/78/58/83/303785883.db2.gz WFXUIMCVQWSSBG-ZFWWWQNUSA-N 0 0 305.378 0.549 50 0 DCAARN CCCc1nnc(N2CCN(CC(=O)N3CCOCC3)CC2)o1 ZINC000095366060 332169564 /nfs/dbraw/zinc/16/95/64/332169564.db2.gz XPTBBFLLJOOSER-UHFFFAOYSA-N 0 0 323.397 0.003 50 0 DCAARN CCc1nc(S(=O)(=O)NCC2(Cn3ccnc3)CC2)c[nH]1 ZINC000534579026 334288680 /nfs/dbraw/zinc/28/86/80/334288680.db2.gz DLCFHKKMMNQTKH-UHFFFAOYSA-N 0 0 309.395 0.927 50 0 DCAARN Cc1nc(CNC(=O)N2CCN(c3cccnc3)CC2)no1 ZINC000534589010 334293508 /nfs/dbraw/zinc/29/35/08/334293508.db2.gz WDQSOCUXKMHKES-UHFFFAOYSA-N 0 0 302.338 0.805 50 0 DCAARN CN1CCO[C@H](CNC(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000534634225 334308786 /nfs/dbraw/zinc/30/87/86/334308786.db2.gz HJSQWRVVPHQYCT-CQSZACIVSA-N 0 0 301.350 0.328 50 0 DCAARN CCO[C@H]1COC[C@@H]1NS(=O)(=O)c1c(C)nn(C)c1C ZINC000534651758 334312172 /nfs/dbraw/zinc/31/21/72/334312172.db2.gz VELDJOMXTFNBJW-QWRGUYRKSA-N 0 0 303.384 0.119 50 0 DCAARN Cc1ccc(=O)n(CC(=O)NCc2nc(C(C)(C)C)no2)n1 ZINC000534653771 334312989 /nfs/dbraw/zinc/31/29/89/334312989.db2.gz YFANHUCLYTVKTQ-UHFFFAOYSA-N 0 0 305.338 0.549 50 0 DCAARN CC(C)OCCS(=O)(=O)N1CCN(c2cnccn2)CC1 ZINC000267049061 519769129 /nfs/dbraw/zinc/76/91/29/519769129.db2.gz NPSHZZBDOZTPMI-UHFFFAOYSA-N 0 0 314.411 0.353 50 0 DCAARN Cc1nonc1CN1CCN(C(=O)c2ccc(N)nc2)CC1 ZINC000299795767 534497209 /nfs/dbraw/zinc/49/72/09/534497209.db2.gz LZUAQPPAZKRCRA-UHFFFAOYSA-N 0 0 302.338 0.313 50 0 DCAARN COC(=O)C(C)(C)NC(=O)c1ccc(N2CCOCC2)nc1 ZINC000036764074 536428935 /nfs/dbraw/zinc/42/89/35/536428935.db2.gz UYASKWQMVHFJSS-UHFFFAOYSA-N 0 0 307.350 0.600 50 0 DCAARN Cc1cc(NC(=O)c2ccnn2C)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000084102057 545700899 /nfs/dbraw/zinc/70/08/99/545700899.db2.gz YVEKSBXIZQPYPV-SNVBAGLBSA-N 0 0 323.378 0.537 50 0 DCAARN Cc1nnc(NC(=O)CN2CCn3c(nnc3C3CC3)C2)s1 ZINC000084291806 545701197 /nfs/dbraw/zinc/70/11/97/545701197.db2.gz UAOXMUDUMQHUEF-UHFFFAOYSA-N 0 0 319.394 0.770 50 0 DCAARN Cc1nc(SCCNC(=O)CCC2=NNC(=O)CC2)n[nH]1 ZINC000215717580 545937227 /nfs/dbraw/zinc/93/72/27/545937227.db2.gz MCVQVBPJWVFLQU-UHFFFAOYSA-N 0 0 310.383 0.368 50 0 DCAARN CCn1c(C)cc(C)c(C(=O)NCCN2CCOCC2)c1=O ZINC000215881041 545939143 /nfs/dbraw/zinc/93/91/43/545939143.db2.gz SSEGZJVNCQYKJO-UHFFFAOYSA-N 0 0 307.394 0.547 50 0 DCAARN CC[C@H](NC(=O)c1n[nH]c(=O)c2ccccc21)c1ncnn1C ZINC000222598686 545941987 /nfs/dbraw/zinc/94/19/87/545941987.db2.gz PCNVZNGPUODRJS-NSHDSACASA-N 0 0 312.333 0.933 50 0 DCAARN CCCc1nnc(NC(=O)N[C@H]2CCc3c(nnn3C)C2)s1 ZINC000585090814 546303269 /nfs/dbraw/zinc/30/32/69/546303269.db2.gz NBWCGLOGZKNNDB-QMMMGPOBSA-N 0 0 321.410 1.298 50 0 DCAARN COCCOCCN1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 ZINC000585090558 546303424 /nfs/dbraw/zinc/30/34/24/546303424.db2.gz LYXNFETVQMEOHH-UHFFFAOYSA-N 0 0 324.425 0.376 50 0 DCAARN CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)S(=O)(=O)c1cn[nH]c1 ZINC000670430016 547086500 /nfs/dbraw/zinc/08/65/00/547086500.db2.gz DMELYYMUJVZCNT-SNVBAGLBSA-N 0 0 314.411 0.677 50 0 DCAARN CN(C)S(=O)(=O)NCc1nncn1CCc1ccccc1 ZINC000670448763 547095313 /nfs/dbraw/zinc/09/53/13/547095313.db2.gz YRMJJZTZDCLXPM-UHFFFAOYSA-N 0 0 309.395 0.417 50 0 DCAARN Cc1nonc1CN1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000670454438 547097554 /nfs/dbraw/zinc/09/75/54/547097554.db2.gz GHHCSBGQZNCJAD-UHFFFAOYSA-N 0 0 314.353 0.446 50 0 DCAARN NC(=O)c1noc(CN2CCCN(C(=O)c3ccoc3)CC2)n1 ZINC000670455835 547098164 /nfs/dbraw/zinc/09/81/64/547098164.db2.gz CLWOZVQGKHFDCO-UHFFFAOYSA-N 0 0 319.321 0.110 50 0 DCAARN Cc1ncn(C)c1C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC000670462546 547098418 /nfs/dbraw/zinc/09/84/18/547098418.db2.gz WKTGBSPOLIGQDA-UHFFFAOYSA-N 0 0 304.350 0.388 50 0 DCAARN CN(C)C(=O)NCC(=O)N[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000670464121 547099259 /nfs/dbraw/zinc/09/92/59/547099259.db2.gz MBJFQJFSCHECJT-NSHDSACASA-N 0 0 322.365 0.272 50 0 DCAARN CN(CCn1ccnc1)C(=O)NC[C@H](CO)Cc1ccco1 ZINC000670473341 547101298 /nfs/dbraw/zinc/10/12/98/547101298.db2.gz RYYOHYCVAZUNSM-CYBMUJFWSA-N 0 0 306.366 0.969 50 0 DCAARN Cc1ccc2[nH]c(CNC(=O)NC[C@@H]3C[NH2+]CCO3)nc2c1C ZINC000670473498 547101637 /nfs/dbraw/zinc/10/16/37/547101637.db2.gz QBQKYGYQHPAVIX-LBPRGKRZSA-N 0 0 317.393 0.967 50 0 DCAARN Cc1cc(CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)ccn1 ZINC000670472322 547101955 /nfs/dbraw/zinc/10/19/55/547101955.db2.gz DUWSJVASTHOLTN-ZDUSSCGKSA-N 0 0 311.407 0.125 50 0 DCAARN Cc1noc([C@H]2CN(C3CN(Cc4cccn4C)C3)CCO2)n1 ZINC000685941193 548746915 /nfs/dbraw/zinc/74/69/15/548746915.db2.gz UPQDTQVEWCFOSG-OAHLLOKOSA-N 0 0 317.393 0.974 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1nnc[nH]1 ZINC000220095365 568416386 /nfs/dbraw/zinc/41/63/86/568416386.db2.gz WOEORIHEAKMLMP-VXGBXAGGSA-N 0 0 303.322 0.304 50 0 DCAARN Cc1ccccc1[C@@H]1NC(=O)N(C[C@H](O)Cn2cccn2)C1=O ZINC000888097567 661176864 /nfs/dbraw/zinc/17/68/64/661176864.db2.gz RUAFAPFDWUSZBT-OCCSQVGLSA-N 0 0 314.345 0.846 50 0 DCAARN CN(C)[C@H](CNC(=O)CN1CCCCC1=O)c1cnn(C)c1 ZINC000117838723 657821184 /nfs/dbraw/zinc/82/11/84/657821184.db2.gz JRNWKVZCCNBMPM-CYBMUJFWSA-N 0 0 307.398 0.152 50 0 DCAARN CCN1CCNC(=O)[C@@H]1CC(=O)N1Cc2cnc(C)cc2C1 ZINC000299775008 659642591 /nfs/dbraw/zinc/64/25/91/659642591.db2.gz KMQPEARTMWCWOV-AWEZNQCLSA-N 0 0 302.378 0.443 50 0 DCAARN COC(=O)c1cc(=O)[nH]c(=O)n1COCC[Si](C)(C)C ZINC000169811378 662603726 /nfs/dbraw/zinc/60/37/26/662603726.db2.gz ZZPZVIXUFQSMKK-UHFFFAOYSA-N 0 0 300.387 0.636 50 0 DCAARN CC(C)CC(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O ZINC000169748729 664558832 /nfs/dbraw/zinc/55/88/32/664558832.db2.gz UFYAKNYMMGRRQQ-UHFFFAOYSA-N 0 0 302.396 0.238 50 0 DCAARN CS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cn2)CC1 ZINC000170676391 664585930 /nfs/dbraw/zinc/58/59/30/664585930.db2.gz BCIKZLRTLUKHFT-UHFFFAOYSA-N 0 0 301.343 0.831 50 0 DCAARN Cn1cc(C(=O)N2CCN(S(N)(=O)=O)CC2)c2ccccc21 ZINC000171365684 664607796 /nfs/dbraw/zinc/60/77/96/664607796.db2.gz YUAOJQRDUCESPL-UHFFFAOYSA-N 0 0 322.390 0.140 50 0 DCAARN Cc1ncn(CC(=O)N2CC(Oc3nccs3)C2)c(=O)c1C ZINC000218786937 666611588 /nfs/dbraw/zinc/61/15/88/666611588.db2.gz PXBOVGAWYWWPQY-UHFFFAOYSA-N 0 0 320.374 0.606 50 0 DCAARN Cc1nnsc1C(=O)NCC1(OCCO)CCSCC1 ZINC000828765486 668140303 /nfs/dbraw/zinc/14/03/03/668140303.db2.gz VWLCDRWNPPRPIY-UHFFFAOYSA-N 0 0 317.436 0.851 50 0 DCAARN COC(=O)CC1CCN(C(=O)/C=C\CN2CCOCC2)CC1 ZINC000843513770 668158306 /nfs/dbraw/zinc/15/83/06/668158306.db2.gz CCFUNZZKZGZPEM-IHWYPQMZSA-N 0 0 310.394 0.677 50 0 DCAARN Cc1cc(CN2CCN(S(N)(=O)=O)CC2)c2ccccc2n1 ZINC000074331313 668385521 /nfs/dbraw/zinc/38/55/21/668385521.db2.gz RRIHRNUNDYMYQK-UHFFFAOYSA-N 0 0 320.418 0.864 50 0 DCAARN CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000102768384 669277311 /nfs/dbraw/zinc/27/73/11/669277311.db2.gz ZSXCHRFLCYBBAP-CYBMUJFWSA-N 0 0 311.426 0.520 50 0 DCAARN CC(C)C(=O)NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000952961822 685598527 /nfs/dbraw/zinc/59/85/27/685598527.db2.gz KKDBSGGMWFAMOC-UHFFFAOYSA-N 0 0 317.301 0.791 50 0 DCAARN CS(=O)(=O)CCC(=O)N1CCC[C@H]1C(=O)N1CCCCC1 ZINC000952966620 685599173 /nfs/dbraw/zinc/59/91/73/685599173.db2.gz ILQWDCWTSPECIV-LBPRGKRZSA-N 0 0 316.423 0.425 50 0 DCAARN Cc1ccccc1OC[C@H](O)C(=O)NCc1cc(=O)[nH]c(C)n1 ZINC000952973349 685599987 /nfs/dbraw/zinc/59/99/87/685599987.db2.gz XARQCADEENLQBG-ZDUSSCGKSA-N 0 0 317.345 0.855 50 0 DCAARN CN(Cc1nc(-c2ccccn2)no1)S(=O)(=O)N1CCCC1 ZINC000952981518 685600634 /nfs/dbraw/zinc/60/06/34/685600634.db2.gz ZQLWAZAHPJAGCU-UHFFFAOYSA-N 0 0 323.378 0.904 50 0 DCAARN C[C@H]1CCc2nc(NC(=O)CNS(C)(=O)=O)sc2C1 ZINC000049032380 685058790 /nfs/dbraw/zinc/05/87/90/685058790.db2.gz FZJWOKWNLFIQQD-ZETCQYMHSA-N 0 0 303.409 0.756 50 0 DCAARN Nc1nc2ccc(C(=O)[O-])cc2c(NC[C@H]2C[NH2+]C[C@@H]2CO)n1 ZINC000065375694 685063682 /nfs/dbraw/zinc/06/36/82/685063682.db2.gz QYKFKXILMYADSA-NXEZZACHSA-N 0 0 317.349 0.150 50 0 DCAARN C[C@H]1C(=O)N(C)CCN1C(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000067805157 685069130 /nfs/dbraw/zinc/06/91/30/685069130.db2.gz QIOILVCLLVQFBA-NSHDSACASA-N 0 0 324.402 0.322 50 0 DCAARN Cc1ccccc1[C@H](C(=O)N1CCN(C(N)=O)CC1)N(C)C ZINC000095530575 685111461 /nfs/dbraw/zinc/11/14/61/685111461.db2.gz IMBWZFPFFIZIBO-CQSZACIVSA-N 0 0 304.394 0.821 50 0 DCAARN O=C(c1cc(N2CCOCC2)no1)N1CC[C@H](O)C[C@@H]1C1CC1 ZINC001772703682 1157841442 /nfs/dbraw/zinc/84/14/42/1157841442.db2.gz ZGOPNOLUZLEPBW-QWHCGFSZSA-N 0 0 321.377 0.887 50 0 DCAARN O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCC([C@H](O)CO)CC1 ZINC001772703717 1157841760 /nfs/dbraw/zinc/84/17/60/1157841760.db2.gz ZCRAGPGNGXUVLL-CQSZACIVSA-N 0 0 316.361 0.677 50 0 DCAARN O=C(c1nnc2n1CCCCC2)N1CCC([C@@H](O)CO)CC1 ZINC001772708847 1157845992 /nfs/dbraw/zinc/84/59/92/1157845992.db2.gz KOUGRCQJRGNWRY-LBPRGKRZSA-N 0 0 308.382 0.210 50 0 DCAARN CN(C(=O)c1[nH]nc2c1COCC2)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 ZINC001704303441 1179966948 /nfs/dbraw/zinc/96/69/48/1179966948.db2.gz YREHLTLFUTVUNQ-OUAUKWLOSA-N 0 0 318.377 0.469 50 0 DCAARN CN(C)c1ncc2c(n1)[C@@]1(CC2)CCCN(C(=O)CCO)C1 ZINC001704312232 1179969295 /nfs/dbraw/zinc/96/92/95/1179969295.db2.gz GJHLHZQAOFKXQD-MRXNPFEDSA-N 0 0 304.394 0.731 50 0 DCAARN Cc1nc[nH]c1C(=O)N1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O ZINC001704316128 1179970814 /nfs/dbraw/zinc/97/08/14/1179970814.db2.gz WNFDRQQHSIFZLC-UONOGXRCSA-N 0 0 309.366 0.225 50 0 DCAARN CCn1ccc(CN2C[C@H]3COC[C@@H]2C[N@H+](CC(=O)[O-])C3)n1 ZINC001704340221 1179979219 /nfs/dbraw/zinc/97/92/19/1179979219.db2.gz QGXWDUXXQDIUAK-JSGCOSHPSA-N 0 0 308.382 0.120 50 0 DCAARN Cc1ccc(C(=O)NCCC(=O)NCCc2nc(N)n[nH]2)cc1 ZINC001704348404 1179981321 /nfs/dbraw/zinc/98/13/21/1179981321.db2.gz MHIZVBUQHPTCBC-UHFFFAOYSA-N 0 0 316.365 0.174 50 0 DCAARN Cn1cnnc1CCNC(=O)C(C)(C)NC(=O)c1cccs1 ZINC001704351928 1179983391 /nfs/dbraw/zinc/98/33/91/1179983391.db2.gz MBSGBKAPBRDYEW-UHFFFAOYSA-N 0 0 321.406 0.744 50 0 DCAARN Cn1ncc(Cl)c1C(=O)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704356085 1179984908 /nfs/dbraw/zinc/98/49/08/1179984908.db2.gz ZTUJZNRWFJNUQV-BXKDBHETSA-N 0 0 321.768 0.539 50 0 DCAARN Cc1ncoc1C(=O)NCCN(C(=O)N(C)C)C1CCOCC1 ZINC000675019159 748026882 /nfs/dbraw/zinc/02/68/82/748026882.db2.gz BWAUHXNCLLXGCG-UHFFFAOYSA-N 0 0 324.381 0.875 50 0 DCAARN CC(=O)N[C@@H](C)c1nc(CC(N)=O)nn1-c1cccc(F)c1 ZINC000820585269 758149322 /nfs/dbraw/zinc/14/93/22/758149322.db2.gz UDLCHGLQOWOHBB-QMMMGPOBSA-N 0 0 305.313 0.631 50 0 DCAARN CCCn1cnnc1[C@H](C)NS(=O)(=O)c1cnn(CC)c1 ZINC000823031032 758219052 /nfs/dbraw/zinc/21/90/52/758219052.db2.gz KIXVWNNXASZSEF-JTQLQIEISA-N 0 0 312.399 0.944 50 0 DCAARN CCc1cc(S(=O)(=O)N[C@@H]2CCN(C)C2=O)ccc1OC ZINC000823504489 758250501 /nfs/dbraw/zinc/25/05/01/758250501.db2.gz IIKKJSDDNLUIBR-GFCCVEGCSA-N 0 0 312.391 0.767 50 0 DCAARN CCn1ncnc1CN1CCC(CNC(=O)[C@@H]2CCOC2)CC1 ZINC000823609722 758255368 /nfs/dbraw/zinc/25/53/68/758255368.db2.gz JMPMULLUGZRHOV-CQSZACIVSA-N 0 0 321.425 0.663 50 0 DCAARN CNC(=O)[C@H]1CCN(S(=O)(=O)N(C)Cc2ccccc2)C1 ZINC000823820136 758269779 /nfs/dbraw/zinc/26/97/79/758269779.db2.gz ORPOIJFLOLCVLF-ZDUSSCGKSA-N 0 0 311.407 0.431 50 0 DCAARN C[C@H](Cn1cncn1)C(=O)NCc1nc2ccccc2c(=O)[nH]1 ZINC000827628045 758872216 /nfs/dbraw/zinc/87/22/16/758872216.db2.gz MNSJNEDITFTYHM-SNVBAGLBSA-N 0 0 312.333 0.879 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000827820448 758886204 /nfs/dbraw/zinc/88/62/04/758886204.db2.gz OTVNTUNCPDOPBO-UHFFFAOYSA-N 0 0 318.381 0.406 50 0 DCAARN CS(=O)(=O)CCC(=O)N1CCC(Oc2ncccn2)CC1 ZINC000827913447 758896016 /nfs/dbraw/zinc/89/60/16/758896016.db2.gz JGNXBTPUYCLDEM-UHFFFAOYSA-N 0 0 313.379 0.281 50 0 DCAARN O=C(CN1CCOc2ccccc2C1)N1CCS(=O)(=O)CC1 ZINC000827968464 758905179 /nfs/dbraw/zinc/90/51/79/758905179.db2.gz RXWMQEJCILRCDL-UHFFFAOYSA-N 0 0 324.402 0.138 50 0 DCAARN Cc1nn[nH]c1C(=O)N[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000828189042 758943370 /nfs/dbraw/zinc/94/33/70/758943370.db2.gz RWCSVXGAXOMSIX-JTQLQIEISA-N 0 0 303.322 0.741 50 0 DCAARN COCCOCC(=O)N1CCCCC[C@@H]1CN1CCOCC1 ZINC000581787729 760248148 /nfs/dbraw/zinc/24/81/48/760248148.db2.gz AQIFCSRCBDGVKU-OAHLLOKOSA-N 0 0 314.426 0.753 50 0 DCAARN CCNC(=O)CCc1nc([C@@H]2CCCN2S(C)(=O)=O)no1 ZINC000581784691 760249989 /nfs/dbraw/zinc/24/99/89/760249989.db2.gz FFMVSLHBLHRGRQ-VIFPVBQESA-N 0 0 316.383 0.235 50 0 DCAARN CC(C)OCCCNC(=O)[C@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000581792267 760252765 /nfs/dbraw/zinc/25/27/65/760252765.db2.gz CYXOCQQBPDFKNT-ZDUSSCGKSA-N 0 0 322.409 0.538 50 0 DCAARN Cc1nc([C@H]2CC23CCN(S(=O)(=O)N(C)C)CC3)no1 ZINC000581814269 760257376 /nfs/dbraw/zinc/25/73/76/760257376.db2.gz VYLGKZCAKCWNDS-SNVBAGLBSA-N 0 0 300.384 0.754 50 0 DCAARN O=C(CCN1CCOCC1)N1CC[C@@H](Cc2ccc(=O)[nH]c2)C1 ZINC000219564916 766271061 /nfs/dbraw/zinc/27/10/61/766271061.db2.gz LOJVRHBEAFYHJG-HNNXBMFYSA-N 0 0 319.405 0.488 50 0 DCAARN CNC(=O)[C@@H]1CCC[C@@H]1Nc1ccc(-n2ccnc2C)nn1 ZINC000585092707 766277882 /nfs/dbraw/zinc/27/78/82/766277882.db2.gz JTLXTHWPFUBSOX-NEPJUHHUSA-N 0 0 300.366 1.297 50 0 DCAARN CS(=O)(=O)NCCN(C(=O)N1CCSCC1)C1CC1 ZINC000585114536 766285000 /nfs/dbraw/zinc/28/50/00/766285000.db2.gz HXUPXIBJQGDQNH-UHFFFAOYSA-N 0 0 307.441 0.169 50 0 DCAARN CCC1(NC(=O)CNc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000585121564 766286323 /nfs/dbraw/zinc/28/63/23/766286323.db2.gz SFDPYCXJEOVWOI-UHFFFAOYSA-N 0 0 315.370 0.944 50 0 DCAARN COC(=O)c1c(NC(=O)N[C@@H](C(N)=O)C(C)C)nc2n1CCC2 ZINC000952850457 768911587 /nfs/dbraw/zinc/91/15/87/768911587.db2.gz XHCTWEKJAYINGL-SECBINFHSA-N 0 0 323.353 0.247 50 0 DCAARN CC1=C(C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)OCCO1 ZINC001506400793 1017256000 /nfs/dbraw/zinc/25/60/00/1017256000.db2.gz GHCVMIOADISDPK-NSHDSACASA-N 0 0 303.380 0.548 50 0 DCAARN Cc1ccccc1OC[C@H](O)C(=O)NCCC(=O)N1CCCC1 ZINC001506406841 1017258562 /nfs/dbraw/zinc/25/85/62/1017258562.db2.gz PASJNDDWDWVSPJ-AWEZNQCLSA-N 0 0 320.389 0.863 50 0 DCAARN O=C(/C=C/c1cc(CO)cs1)N1CCN2C(=O)OC[C@H]2C1 ZINC001506416380 1017264041 /nfs/dbraw/zinc/26/40/41/1017264041.db2.gz VZEPKKYGVRQZEJ-FMBMQGQPSA-N 0 0 308.359 0.917 50 0 DCAARN C[C@@H](CN(C)C(=O)c1nnc2n1CCCCC2)N1CCOCC1 ZINC001506400833 1017255709 /nfs/dbraw/zinc/25/57/09/1017255709.db2.gz AFSZTYGIIPVQKC-ZDUSSCGKSA-N 0 0 321.425 0.797 50 0 DCAARN Cc1n[nH]cc1CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC001506405774 1017255853 /nfs/dbraw/zinc/25/58/53/1017255853.db2.gz CNRMLCJAOBGXFU-UHFFFAOYSA-N 0 0 303.326 0.041 50 0 DCAARN COCCNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095473103 185372892 /nfs/dbraw/zinc/37/28/92/185372892.db2.gz OMPBEIAQNOMURW-SNVBAGLBSA-N 0 0 302.334 0.678 50 0 DCAARN Cc1cc(=O)[nH]c(CCNC(=O)[C@H]2COc3ccccc3C2)n1 ZINC000095497777 185374310 /nfs/dbraw/zinc/37/43/10/185374310.db2.gz MTOUGKCFWUYHRL-CYBMUJFWSA-N 0 0 313.357 0.988 50 0 DCAARN NC(=O)Cn1ccnc1C1CCN(C(=O)N2CCCC2)CC1 ZINC000095500712 185374699 /nfs/dbraw/zinc/37/46/99/185374699.db2.gz XQRUOCANPSDYAC-UHFFFAOYSA-N 0 0 305.382 0.764 50 0 DCAARN CCS(=O)(=O)NCCNC(=O)[C@H]1CCOc2ccccc21 ZINC000076806348 185043747 /nfs/dbraw/zinc/04/37/47/185043747.db2.gz IQHLVUWXYOOEJC-LBPRGKRZSA-N 0 0 312.391 0.608 50 0 DCAARN COc1cc(NC(=O)N2CCC[C@H]2CO)cc(-n2cnnn2)c1 ZINC000095524137 185377800 /nfs/dbraw/zinc/37/78/00/185377800.db2.gz GUZJFHPSHUCRNG-NSHDSACASA-N 0 0 318.337 0.660 50 0 DCAARN CO[C@@H]1CCCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000095524048 185377879 /nfs/dbraw/zinc/37/78/79/185377879.db2.gz KUQHDKJTILDHOB-LLVKDONJSA-N 0 0 313.379 0.977 50 0 DCAARN Cc1cc(C)n([C@@H]2CCN(C(=O)CN3C(=O)CCNC3=O)C2)n1 ZINC000095527949 185378484 /nfs/dbraw/zinc/37/84/84/185378484.db2.gz MPVOSPHLNJHHGM-GFCCVEGCSA-N 0 0 319.365 0.215 50 0 DCAARN Cc1nnc([C@H]2CN(CC(=O)NCc3cccnc3)CCO2)[nH]1 ZINC000078892505 185123760 /nfs/dbraw/zinc/12/37/60/185123760.db2.gz LBCMQKUJFSGKIV-CYBMUJFWSA-N 0 0 316.365 0.198 50 0 DCAARN CC[C@@H](C(N)=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000078970655 185137257 /nfs/dbraw/zinc/13/72/57/185137257.db2.gz BOWMUEYNNDONJW-JTQLQIEISA-N 0 0 301.341 0.660 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCN(c3cnccn3)CC2)on1 ZINC000096839890 185389093 /nfs/dbraw/zinc/38/90/93/185389093.db2.gz QWOGZCPBNMRUHR-LBPRGKRZSA-N 0 0 316.365 0.922 50 0 DCAARN CN(CC(F)(F)F)C(=O)CN1CC[S@](=O)C(C)(C)C1 ZINC000088565429 185258208 /nfs/dbraw/zinc/25/82/08/185258208.db2.gz NAGSOOLEWOESPK-LJQANCHMSA-N 0 0 300.346 0.850 50 0 DCAARN CN(CC(F)(F)F)C(=O)CN1CC[S@@](=O)C(C)(C)C1 ZINC000088565430 185258234 /nfs/dbraw/zinc/25/82/34/185258234.db2.gz NAGSOOLEWOESPK-IBGZPJMESA-N 0 0 300.346 0.850 50 0 DCAARN CC[C@@H]1C(=O)NCCN1C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000089948223 185270874 /nfs/dbraw/zinc/27/08/74/185270874.db2.gz ZJZLVTBZFCRMAD-LLVKDONJSA-N 0 0 302.334 0.217 50 0 DCAARN Cn1ccnc1-c1ccc(N2CC[C@]3(CC(=O)NC3=O)C2)nn1 ZINC000082096943 192354618 /nfs/dbraw/zinc/35/46/18/192354618.db2.gz WOAYZBBJVIEBRG-HNNXBMFYSA-N 0 0 312.333 0.120 50 0 DCAARN O=C(NCc1ccco1)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 ZINC000040490218 295697548 /nfs/dbraw/zinc/69/75/48/295697548.db2.gz OPODGMPMPLKBQK-ZFWWWQNUSA-N 0 0 323.393 0.816 50 0 DCAARN Cc1ccccc1N1C[C@@H](C)N(C(=O)CCC(N)=O)CC1=O ZINC000082139235 192360803 /nfs/dbraw/zinc/36/08/03/192360803.db2.gz KNDXMUMGFZJLBJ-GFCCVEGCSA-N 0 0 303.362 0.824 50 0 DCAARN CCCC[C@@H]1C(=O)N(C)CCN1C(=O)CCCn1cncn1 ZINC000082136756 192361216 /nfs/dbraw/zinc/36/12/16/192361216.db2.gz MIORDUUFTPOMBL-CYBMUJFWSA-N 0 0 307.398 0.918 50 0 DCAARN CC(=O)C(=O)N1CCC[C@H](c2nnc(Cn3ccnc3)n2C)C1 ZINC000095389152 185351310 /nfs/dbraw/zinc/35/13/10/185351310.db2.gz MAQAQDQSAGIMDH-LBPRGKRZSA-N 0 0 316.365 0.355 50 0 DCAARN O=C([C@@H]1CC(=O)N(Cc2ccncc2)C1)N1CCC(O)CC1 ZINC000095389111 185351338 /nfs/dbraw/zinc/35/13/38/185351338.db2.gz IDTQKUWBFBNEFJ-CYBMUJFWSA-N 0 0 303.362 0.413 50 0 DCAARN CN(Cc1nccn1CC(F)(F)F)c1ccc(C(N)=O)nn1 ZINC000095409109 185356831 /nfs/dbraw/zinc/35/68/31/185356831.db2.gz WIHMQGBLZWJEOW-UHFFFAOYSA-N 0 0 314.271 0.971 50 0 DCAARN O=C([C@@H]1CCO1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000095445110 185367229 /nfs/dbraw/zinc/36/72/29/185367229.db2.gz ZHJSPUIAWFGETP-AWEZNQCLSA-N 0 0 324.402 0.745 50 0 DCAARN O=C(c1ccn(-c2cccc(F)c2)n1)N1C[C@@H](O)C[C@@H]1CO ZINC000095451180 185369034 /nfs/dbraw/zinc/36/90/34/185369034.db2.gz YTMYLIMPJBIVMX-OLZOCXBDSA-N 0 0 305.309 0.579 50 0 DCAARN CC(C)(C)OC(=O)[C@H](O)CNC(=O)CCc1cscn1 ZINC000095456540 185370199 /nfs/dbraw/zinc/37/01/99/185370199.db2.gz NEUBSVNKCCBMKI-SNVBAGLBSA-N 0 0 300.380 0.895 50 0 DCAARN CCS(=O)(=O)N(C)C1CCN([C@H]2CCCN(C)C2=O)CC1 ZINC000095466136 185371670 /nfs/dbraw/zinc/37/16/70/185371670.db2.gz PWGJROJBDCTOFW-ZDUSSCGKSA-N 0 0 317.455 0.353 50 0 DCAARN COC(=O)CNC(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000017440578 190643956 /nfs/dbraw/zinc/64/39/56/190643956.db2.gz XMSNMDGOLZGEIT-UHFFFAOYSA-N 0 0 305.286 0.769 50 0 biogenic DCAARN CN(C)c1ccc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cn1 ZINC000102770001 185420634 /nfs/dbraw/zinc/42/06/34/185420634.db2.gz SAYDTDQPEDLXIO-NSHDSACASA-N 0 0 302.334 0.167 50 0 DCAARN O=C(N[C@@H]1C[C@H](O)[C@H](CO)C1)c1cnn(-c2ccccc2)n1 ZINC000107286206 185474161 /nfs/dbraw/zinc/47/41/61/185474161.db2.gz UTBHQPHOOOQLMH-MJVIPROJSA-N 0 0 302.334 0.129 50 0 DCAARN COCCS(=O)(=O)c1ccc(C(=O)Nc2nc[nH]n2)cc1 ZINC000069442899 190803211 /nfs/dbraw/zinc/80/32/11/190803211.db2.gz UQUXUFIXDOFINR-UHFFFAOYSA-N 0 0 310.335 0.477 50 0 DCAARN COc1ccc(CC(=O)N2CCN(C[C@H](C)O)CC2)cc1F ZINC000070040984 190853806 /nfs/dbraw/zinc/85/38/06/190853806.db2.gz XQJCODUAMSKDLU-LBPRGKRZSA-N 0 0 310.369 0.902 50 0 DCAARN CN(Cc1ncc[nH]1)C(=O)[C@H]1COCCN1CC(F)(F)F ZINC000329574817 282589151 /nfs/dbraw/zinc/58/91/51/282589151.db2.gz VLFHHFHVHMJUMU-SECBINFHSA-N 0 0 306.288 0.631 50 0 DCAARN O=C(NCc1ccco1)C(=O)NC[C@H](O)Cc1ccccc1 ZINC000070958784 190926302 /nfs/dbraw/zinc/92/63/02/190926302.db2.gz JGGSGWCBENOFHT-CYBMUJFWSA-N 0 0 302.330 0.616 50 0 DCAARN C[C@H](C(=O)N1CCO[C@@H](CO)C1)n1nnc(-c2ccccc2)n1 ZINC000083927556 192390530 /nfs/dbraw/zinc/39/05/30/192390530.db2.gz YPKNYCKLOJWSBR-DGCLKSJQSA-N 0 0 317.349 0.121 50 0 DCAARN CCC[C@H]1COCCN1C(=O)c1cc2ncc(CCO)cn2n1 ZINC000071738420 191019853 /nfs/dbraw/zinc/01/98/53/191019853.db2.gz HQDCXSDFZGEWPW-ZDUSSCGKSA-N 0 0 318.377 0.905 50 0 DCAARN Cc1ccc(N2C[C@H](NC(=O)CS(C)(=O)=O)CC2=O)cc1 ZINC000071748144 191020495 /nfs/dbraw/zinc/02/04/95/191020495.db2.gz CGAYXMFJRDWLJG-LLVKDONJSA-N 0 0 310.375 0.261 50 0 DCAARN CCOC(=O)C(Cc1ccccn1)(NC(C)=O)C(=O)OCC ZINC000071770658 191030226 /nfs/dbraw/zinc/03/02/26/191030226.db2.gz WOBDOPGGSAELPK-UHFFFAOYSA-N 0 0 308.334 0.625 50 0 DCAARN Cn1nnnc1SCCNC(=O)c1cccc2ccnn21 ZINC000072122572 191040643 /nfs/dbraw/zinc/04/06/43/191040643.db2.gz UNKFQRMUHZAOIR-UHFFFAOYSA-N 0 0 303.351 0.380 50 0 DCAARN O=C(CCc1[nH]nc2c1CCCC2)N1CCC[C@@](O)(CO)C1 ZINC000072143889 191051732 /nfs/dbraw/zinc/05/17/32/191051732.db2.gz QYCLKVJKSUXDMM-INIZCTEOSA-N 0 0 307.394 0.567 50 0 DCAARN CC(=O)c1ccc(N2CCN[C@@H](C(=O)N3CCCC3)C2)nc1 ZINC000072146991 191052799 /nfs/dbraw/zinc/05/27/99/191052799.db2.gz ANNJLUVTWDLFFS-CQSZACIVSA-N 0 0 302.378 0.685 50 0 DCAARN CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NC ZINC000072147224 191052853 /nfs/dbraw/zinc/05/28/53/191052853.db2.gz QGXBTEVZHPFWJW-CYBMUJFWSA-N 0 0 305.378 0.522 50 0 DCAARN Cc1nc(C)n(CCNS(=O)(=O)NCc2ccccc2)n1 ZINC000072164454 191065405 /nfs/dbraw/zinc/06/54/05/191065405.db2.gz RPJKKVWRFACQEA-UHFFFAOYSA-N 0 0 309.395 0.519 50 0 DCAARN CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)cc1F ZINC000072167180 191066510 /nfs/dbraw/zinc/06/65/10/191066510.db2.gz ANSUZOOQPIYPQM-CQSZACIVSA-N 0 0 323.368 0.661 50 0 DCAARN C[C@H](CCO)NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000084637397 192449556 /nfs/dbraw/zinc/44/95/56/192449556.db2.gz WDJMRSAKXFKNFI-SNVBAGLBSA-N 0 0 312.391 0.628 50 0 DCAARN O=c1cc(CCc2ccccc2)oc2c1[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O ZINC000033830752 290891554 /nfs/dbraw/zinc/89/15/54/290891554.db2.gz CWMIROLCTHMEEO-JJXSEGSLSA-N 0 0 318.325 0.227 50 0 biogenic,in-vitro DCAARN CCn1nc(C)c(S(=O)(=O)NCCN2CCOCC2)c1C ZINC000072239106 191083046 /nfs/dbraw/zinc/08/30/46/191083046.db2.gz NLAMEIWYIBZNDR-UHFFFAOYSA-N 0 0 316.427 0.130 50 0 DCAARN O[C@@H](COc1ccc2c(c1)OCO2)CN1CC(n2cccn2)C1 ZINC000072254018 191086761 /nfs/dbraw/zinc/08/67/61/191086761.db2.gz MIURIKYQPUOFAF-CYBMUJFWSA-N 0 0 317.345 0.908 50 0 DCAARN CC(C)N1C[C@H](NC(=O)N[C@H](C)CN2CCOCC2)CC1=O ZINC000072293236 191109340 /nfs/dbraw/zinc/10/93/40/191109340.db2.gz NDYVYDAWJIEPBS-CHWSQXEVSA-N 0 0 312.414 0.016 50 0 DCAARN C[C@@H](C(=O)[O-])[NH+]1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000237507341 186299153 /nfs/dbraw/zinc/29/91/53/186299153.db2.gz UIVPIVVHMJKBQO-LBPRGKRZSA-N 0 0 323.368 0.646 50 0 DCAARN Cn1nccc1N1CCC[C@@H](NC(=O)CC2OCCCO2)C1 ZINC000253392607 186302850 /nfs/dbraw/zinc/30/28/50/186302850.db2.gz IYOTWKQTYOTFQF-GFCCVEGCSA-N 0 0 308.382 0.658 50 0 DCAARN O=C1[C@H](N2C(=O)[C@@H]3CCCN3C2=O)CCN1CC(F)(F)F ZINC000253393857 186303585 /nfs/dbraw/zinc/30/35/85/186303585.db2.gz AMTGJRSNDINTSL-JGVFFNPUSA-N 0 0 305.256 0.576 50 0 DCAARN O=C(N[C@H]1CC[C@H](Oc2ncccn2)CC1)[C@H]1CCC(=O)N1 ZINC000253394256 186304406 /nfs/dbraw/zinc/30/44/06/186304406.db2.gz AZKNCSVYLVJACV-IJLUTSLNSA-N 0 0 304.350 0.561 50 0 DCAARN O=C(NCCn1nnc2ccc(F)cc2c1=O)C1CCOCC1 ZINC000253399411 186306456 /nfs/dbraw/zinc/30/64/56/186306456.db2.gz JCDCCEJJYPKUAS-UHFFFAOYSA-N 0 0 320.324 0.473 50 0 DCAARN CSCC[C@@H](CO)NC(=O)Cn1ncc2ccccc2c1=O ZINC000253399941 186306967 /nfs/dbraw/zinc/30/69/67/186306967.db2.gz DLOQJUWCKBOLNE-LBPRGKRZSA-N 0 0 321.402 0.627 50 0 DCAARN Cn1c2nc(Cl)n(CCC(C)(C)O)c2c(=O)n(C)c1=O ZINC000072307079 191117902 /nfs/dbraw/zinc/11/79/02/191117902.db2.gz IGBAZZKOWZVLDM-UHFFFAOYSA-N 0 0 300.746 0.248 50 0 DCAARN Cc1ncn(CC(=O)N2CCN(c3cnccn3)CC2)c1C ZINC000171993798 198021809 /nfs/dbraw/zinc/02/18/09/198021809.db2.gz HRTJAAFXBIRFBN-UHFFFAOYSA-N 0 0 300.366 0.639 50 0 DCAARN O=C(NCCN1CCS(=O)(=O)CC1)c1ccc(Cl)cn1 ZINC000172510300 198108145 /nfs/dbraw/zinc/10/81/45/198108145.db2.gz FMZMSIOBMSVZGR-UHFFFAOYSA-N 0 0 317.798 0.195 50 0 DCAARN O=C(NCc1n[nH]c(=O)c2ccccc12)[C@@H]1NCCc2nc[nH]c21 ZINC000072409729 191154426 /nfs/dbraw/zinc/15/44/26/191154426.db2.gz ZYWZIEITTPYIPS-CQSZACIVSA-N 0 0 324.344 0.149 50 0 DCAARN COC(=O)c1ccc(NC(=O)CNC(=O)c2cnccn2)cc1 ZINC000072402719 191151422 /nfs/dbraw/zinc/15/14/22/191151422.db2.gz RVIVJRNZCUOKOY-UHFFFAOYSA-N 0 0 314.301 0.632 50 0 DCAARN O=C([C@H]1CCCCO1)N1CCc2ncnc(NCCO)c2CC1 ZINC000072432966 191165182 /nfs/dbraw/zinc/16/51/82/191165182.db2.gz WAPFULMIXNWMGY-CQSZACIVSA-N 0 0 320.393 0.377 50 0 DCAARN COC(=O)c1cc(C(=O)OC)c(C(=O)OC)cc1C(=O)OC ZINC000000122850 180700124 /nfs/dbraw/zinc/70/01/24/180700124.db2.gz QVEIFJBUBJUUMB-UHFFFAOYSA-N 0 0 310.258 0.833 50 0 DCAARN Cc1ncc2c(c1CNC(=O)CCc1cc(=O)[n-]o1)CC[NH2+]C2 ZINC000072458873 191172705 /nfs/dbraw/zinc/17/27/05/191172705.db2.gz BLWMUDJCCHZLOD-UHFFFAOYSA-N 0 0 316.361 0.978 50 0 DCAARN CC(C)(NCC(=O)N[C@H]1CCCCNC1=O)c1nccs1 ZINC000072662831 191210377 /nfs/dbraw/zinc/21/03/77/191210377.db2.gz KFCNXXXQLNGWLD-JTQLQIEISA-N 0 0 310.423 0.753 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000000414005 180781433 /nfs/dbraw/zinc/78/14/33/180781433.db2.gz JSCHSMXAVRXNTF-UHFFFAOYSA-N 0 0 324.402 0.938 50 0 DCAARN Cc1cn([C@@H](NC=O)C(Cl)(Cl)Cl)c(=O)[nH]c1=O ZINC000000967459 180838265 /nfs/dbraw/zinc/83/82/65/180838265.db2.gz PBWUKOLXZFWBLL-ZCFIWIBFSA-N 0 0 300.529 0.460 50 0 DCAARN Cc1ccc([C@](C)(O)CNC(=O)N[C@@H]2CCCCNC2=O)o1 ZINC000173909351 198267046 /nfs/dbraw/zinc/26/70/46/198267046.db2.gz ADXCAXGYVXZCTP-IAQYHMDHSA-N 0 0 309.366 0.763 50 0 DCAARN COCCNC(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 ZINC000001784855 180896654 /nfs/dbraw/zinc/89/66/54/180896654.db2.gz GGZBJUKOQMPCLA-UHFFFAOYSA-N 0 0 322.390 0.494 50 0 DCAARN CCCNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000003563624 181034984 /nfs/dbraw/zinc/03/49/84/181034984.db2.gz ZZAHYSRLDUOQQL-MRXNPFEDSA-N 0 0 301.346 0.906 50 0 DCAARN Nc1nccnc1C(=O)OCc1cc(=O)n2ccsc2n1 ZINC000003567273 181036050 /nfs/dbraw/zinc/03/60/50/181036050.db2.gz QYFAHTPRTZVGLU-UHFFFAOYSA-N 0 0 303.303 0.485 50 0 DCAARN COc1ccc(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000003893915 181053846 /nfs/dbraw/zinc/05/38/46/181053846.db2.gz HPULWQDUYJRIPB-LLVKDONJSA-N 0 0 305.377 0.624 50 0 DCAARN COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@H]1c1cccnc1 ZINC000003903536 181054874 /nfs/dbraw/zinc/05/48/74/181054874.db2.gz AIIYGGXNHFQOGB-VPWBDBDCSA-N 0 0 321.329 0.467 50 0 DCAARN CCOC(=O)CN1C(=O)C(=O)N(Cc2cccc(C)c2)C1=O ZINC000004013559 181062029 /nfs/dbraw/zinc/06/20/29/181062029.db2.gz KZLNMKBIFHNSAZ-UHFFFAOYSA-N 0 0 304.302 0.849 50 0 DCAARN O=C([O-])[C@H](CC(=O)Nc1cccc(O)c1)[NH2+]C[C@@H]1CCCO1 ZINC000004186581 181083242 /nfs/dbraw/zinc/08/32/42/181083242.db2.gz WBCNTXYDQOVPSX-STQMWFEESA-N 0 0 308.334 0.943 50 0 DCAARN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCC(N)=O ZINC000004186525 181083291 /nfs/dbraw/zinc/08/32/91/181083291.db2.gz JPAAZAPKEWXXBK-GFCCVEGCSA-N 0 0 321.377 0.724 50 0 DCAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC)C1=O ZINC000004305833 181094845 /nfs/dbraw/zinc/09/48/45/181094845.db2.gz ZYHXALLXPWRJIP-HNNXBMFYSA-N 0 0 318.333 0.299 50 0 DCAARN Cc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)cc1 ZINC000004337901 181100203 /nfs/dbraw/zinc/10/02/03/181100203.db2.gz XJGPJWCNLUJGOD-UHFFFAOYSA-N 0 0 305.363 0.700 50 0 DCAARN O=C(COC(=O)C1=NNC(=O)CC1)NCCc1ccccc1 ZINC000004349260 181101265 /nfs/dbraw/zinc/10/12/65/181101265.db2.gz UZFRJOIBDOFLFB-UHFFFAOYSA-N 0 0 303.318 0.155 50 0 DCAARN CCOC(=O)[C@H](C)OC(=O)/C=C/C(=O)O[C@@H](C)C(=O)OCC ZINC000004521513 181119378 /nfs/dbraw/zinc/11/93/78/181119378.db2.gz PVSLHMRMQFZKMW-GOPXOUGQSA-N 0 0 316.306 0.532 50 0 DCAARN C[C@@H](C(=O)Nc1cc(-c2nccn2C)nn1C)S(C)(=O)=O ZINC000332409018 234923656 /nfs/dbraw/zinc/92/36/56/234923656.db2.gz ZFGVYJFQISKNAC-QMMMGPOBSA-N 0 0 311.367 0.192 50 0 DCAARN CCOC(=O)[C@@H](C)Sc1ccnc2c1c(=O)n(C)c(=O)n2C ZINC000004942223 181176556 /nfs/dbraw/zinc/17/65/56/181176556.db2.gz CMCPVDGSSIJUQF-MRVPVSSYSA-N 0 0 323.374 0.676 50 0 DCAARN CCC(=O)N1CCc2cc(S(=O)(=O)NCCOC)ccc21 ZINC000004969117 181181015 /nfs/dbraw/zinc/18/10/15/181181015.db2.gz AMLIBYZIFZTVSZ-UHFFFAOYSA-N 0 0 312.391 0.910 50 0 DCAARN NC(=O)C[C@@H](NC(=O)COc1ccccc1)C1CCOCC1 ZINC000075092018 191415508 /nfs/dbraw/zinc/41/55/08/191415508.db2.gz WOLDBTRFTSNZQD-CQSZACIVSA-N 0 0 306.362 0.852 50 0 DCAARN C[C@H](CCc1cccn1C)NC(=O)NCCS(C)(=O)=O ZINC000076069867 191570137 /nfs/dbraw/zinc/57/01/37/191570137.db2.gz WKNALZKCIYFXCJ-LLVKDONJSA-N 0 0 301.412 0.690 50 0 DCAARN CCc1c(Cl)nc(C)nc1N(C)CCNS(C)(=O)=O ZINC000078259253 191838836 /nfs/dbraw/zinc/83/88/36/191838836.db2.gz VNGFZAWBRQNCRG-UHFFFAOYSA-N 0 0 306.819 0.986 50 0 DCAARN O=C(Cn1nnc2ccccc2c1=O)N=c1[nH]c2ccccc2[nH]1 ZINC000005207122 181217021 /nfs/dbraw/zinc/21/70/21/181217021.db2.gz JRUSVTWOXRDQMS-UHFFFAOYSA-N 0 0 320.312 0.728 50 0 DCAARN COc1ccccc1CN(C)C(=O)CSc1nnnn1C ZINC000005215839 181217656 /nfs/dbraw/zinc/21/76/56/181217656.db2.gz QRKBAENJFLIURY-UHFFFAOYSA-N 0 0 307.379 0.969 50 0 DCAARN NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000005786087 181283554 /nfs/dbraw/zinc/28/35/54/181283554.db2.gz LUIFZAATWJZOSQ-SNVBAGLBSA-N 0 0 310.737 0.717 50 0 DCAARN Cc1cc(CN2CCN(C(=O)NC[C@H]3CCOC3)CC2)no1 ZINC000089604822 192825370 /nfs/dbraw/zinc/82/53/70/192825370.db2.gz RDPAITXNVADUJF-CYBMUJFWSA-N 0 0 308.382 0.847 50 0 DCAARN Cc1ccc(CN2CCN(C(=O)Cn3ccnn3)CC2=O)cc1 ZINC000426668210 240352865 /nfs/dbraw/zinc/35/28/65/240352865.db2.gz CNBAPASHCNVMFL-UHFFFAOYSA-N 0 0 313.361 0.458 50 0 DCAARN CCCc1cccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC000187099190 200061724 /nfs/dbraw/zinc/06/17/24/200061724.db2.gz KVZVAVZEKWNWHX-HNNXBMFYSA-N 0 0 301.390 0.782 50 0 DCAARN CCCc1cccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC000187099166 200061975 /nfs/dbraw/zinc/06/19/75/200061975.db2.gz KVZVAVZEKWNWHX-OAHLLOKOSA-N 0 0 301.390 0.782 50 0 DCAARN CC(C)N1CCN(CCCn2ccnc2S(C)(=O)=O)CC1 ZINC000188321108 200227424 /nfs/dbraw/zinc/22/74/24/200227424.db2.gz JUJNPCNLSDLPSM-UHFFFAOYSA-N 0 0 314.455 0.703 50 0 DCAARN C[C@H](CNc1ccccc1)NC(=O)C(=O)Nc1cnn(C)c1 ZINC000189628828 200429989 /nfs/dbraw/zinc/42/99/89/200429989.db2.gz FWHGRGVYRNIAKP-LLVKDONJSA-N 0 0 301.350 0.975 50 0 DCAARN O=C([C@@H]1CCCO1)N1CCN(C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000191921249 296020732 /nfs/dbraw/zinc/02/07/32/296020732.db2.gz OTIFYJNIRIRHOZ-KBPBESRZSA-N 0 0 322.405 0.795 50 0 DCAARN COC[C@@H](NC(=O)CCCN1CCCC1=O)c1ccnn1C ZINC000244794730 202497886 /nfs/dbraw/zinc/49/78/86/202497886.db2.gz QSLYEZWJYWVQBQ-GFCCVEGCSA-N 0 0 308.382 0.626 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccccc3Cl)C(=O)[C@@]2(C)NN1 ZINC000004104479 283745892 /nfs/dbraw/zinc/74/58/92/283745892.db2.gz RANOWIOEBUKFBJ-OTYXRUKQSA-N 0 0 321.720 0.720 50 0 DCAARN CN(C(=O)Cn1nnc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000006652568 181365917 /nfs/dbraw/zinc/36/59/17/181365917.db2.gz QIFLXNOUYDVVDK-JTQLQIEISA-N 0 0 308.363 0.077 50 0 DCAARN NC(=[NH2+])NCCC[C@@H](NC(=S)NC1CCCCC1)C(=O)[O-] ZINC000006659972 181366295 /nfs/dbraw/zinc/36/62/95/181366295.db2.gz AVWOTDUBEKUHBR-SNVBAGLBSA-N 0 0 315.443 0.500 50 0 DCAARN CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)cs1 ZINC000006681588 181369881 /nfs/dbraw/zinc/36/98/81/181369881.db2.gz HVEWQWGZSUYDCP-UHFFFAOYSA-N 0 0 306.434 0.845 50 0 DCAARN COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c(C)nn(C)c1C ZINC000058266958 291327859 /nfs/dbraw/zinc/32/78/59/291327859.db2.gz DFBDSDSGNJEFBE-NSHDSACASA-N 0 0 315.395 0.753 50 0 DCAARN O=C(NCCN1C[C@@]2(CCOC2)CCC1=O)c1cccnc1 ZINC000091350703 193044752 /nfs/dbraw/zinc/04/47/52/193044752.db2.gz ZCWVLALYGVFUBU-INIZCTEOSA-N 0 0 303.362 0.841 50 0 DCAARN COC(=O)N1CCC(c2nnc(Cn3cncn3)n2C)CC1 ZINC000091468924 193060309 /nfs/dbraw/zinc/06/03/09/193060309.db2.gz QJXNXZQYDHGICJ-UHFFFAOYSA-N 0 0 305.342 0.401 50 0 DCAARN NC(=O)N1CCC[C@H](C(=O)NCc2ncc3c(n2)CCC3)C1 ZINC000091651441 193084674 /nfs/dbraw/zinc/08/46/74/193084674.db2.gz QGQXVPAMDJIWGI-NSHDSACASA-N 0 0 303.366 0.372 50 0 DCAARN COCC[C@]1(CO)CCCN(C(=O)CCc2cnn(C)c2)C1 ZINC000091663772 193087053 /nfs/dbraw/zinc/08/70/53/193087053.db2.gz FUOUBBGJYIRQFY-MRXNPFEDSA-N 0 0 309.410 0.990 50 0 DCAARN CN1C(=O)[C@H](CC(=O)N2CCc3ncccc3C2)N(C)C1=O ZINC000091713014 193095942 /nfs/dbraw/zinc/09/59/42/193095942.db2.gz WMGOMOKTCNOERX-LBPRGKRZSA-N 0 0 302.334 0.249 50 0 DCAARN CCc1c(C)nn(CCNC(=O)CC[C@H]2NC(=O)NC2=O)c1C ZINC000091754819 193102306 /nfs/dbraw/zinc/10/23/06/193102306.db2.gz GJVWBUDPHKINET-GFCCVEGCSA-N 0 0 321.381 0.167 50 0 DCAARN Cc1cccnc1NCCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000091756842 193103391 /nfs/dbraw/zinc/10/33/91/193103391.db2.gz HUSWAFOVLFHBPE-GFCCVEGCSA-N 0 0 302.378 0.929 50 0 DCAARN O=C(Cn1ccnc1)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 ZINC000091769797 193104469 /nfs/dbraw/zinc/10/44/69/193104469.db2.gz OSGOJPUKGFTTKY-UONOGXRCSA-N 0 0 312.377 0.801 50 0 DCAARN CCCn1nc(C)c(CNC(=O)CC[C@@H]2NC(=O)NC2=O)c1C ZINC000091770529 193104730 /nfs/dbraw/zinc/10/47/30/193104730.db2.gz DJWIYUKOMQQLPJ-LBPRGKRZSA-N 0 0 321.381 0.514 50 0 DCAARN O=C(CCn1cncn1)NC[C@H]1CCCN(c2ncccn2)C1 ZINC000091776541 193105858 /nfs/dbraw/zinc/10/58/58/193105858.db2.gz NDDLKCDWVBHCIQ-CYBMUJFWSA-N 0 0 315.381 0.491 50 0 DCAARN Cn1cnnc1SCCNC(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000091830148 193113831 /nfs/dbraw/zinc/11/38/31/193113831.db2.gz VYFWGHPDBKAMMA-VIFPVBQESA-N 0 0 309.395 0.034 50 0 DCAARN CCOc1ncccc1CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000091944001 193130221 /nfs/dbraw/zinc/13/02/21/193130221.db2.gz HNELGMSXBYEHJG-JTQLQIEISA-N 0 0 306.322 0.085 50 0 DCAARN CSCC(=O)N[C@H]1CN(CC(N)=O)C[C@@H]1c1ccccc1 ZINC000092046922 193147757 /nfs/dbraw/zinc/14/77/57/193147757.db2.gz VPEAVWYKSPKUDX-OLZOCXBDSA-N 0 0 307.419 0.419 50 0 DCAARN CSCC[C@H](O)C(=O)NCCc1nc(-c2ccccn2)no1 ZINC000215614579 201463644 /nfs/dbraw/zinc/46/36/44/201463644.db2.gz RPRBAYMEPCHUIL-NSHDSACASA-N 0 0 322.390 0.904 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)N1CCC(c2ccncc2)CC1 ZINC000092078891 193155412 /nfs/dbraw/zinc/15/54/12/193155412.db2.gz WCVYSHCICQSHJB-CYBMUJFWSA-N 0 0 316.361 0.776 50 0 DCAARN CCO[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(F)cc32)C[C@@H]1O ZINC000219325646 201554000 /nfs/dbraw/zinc/55/40/00/201554000.db2.gz OCYUNOGXEQYRJE-KBPBESRZSA-N 0 0 320.320 0.889 50 0 DCAARN O=C(Cc1cnccn1)N[C@@H]1COCC[C@H]1Oc1ccccn1 ZINC000219879364 201564566 /nfs/dbraw/zinc/56/45/66/201564566.db2.gz CSYVEPOWFQFVAG-ZIAGYGMSSA-N 0 0 314.345 0.767 50 0 DCAARN COc1ccccc1C1=NO[C@@](C)(C(=O)NCC(=O)N(C)C)C1 ZINC000222283487 201606651 /nfs/dbraw/zinc/60/66/51/201606651.db2.gz FIOPETJKEWLIAE-MRXNPFEDSA-N 0 0 319.361 0.783 50 0 DCAARN C[C@H](NC(=O)CN1CCOC1=O)c1ccc(-n2cncn2)cc1 ZINC000222419194 201610136 /nfs/dbraw/zinc/61/01/36/201610136.db2.gz HOUZQMQMNYNPCB-NSHDSACASA-N 0 0 315.333 0.897 50 0 DCAARN CC[C@@H](C)NC(=O)COC(=O)c1ccc(OCC(N)=O)cc1 ZINC000007581082 181476089 /nfs/dbraw/zinc/47/60/89/181476089.db2.gz LLZDYVCFKQIWEQ-SNVBAGLBSA-N 0 0 308.334 0.622 50 0 DCAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)NCCn1cncn1 ZINC000263725852 203530952 /nfs/dbraw/zinc/53/09/52/203530952.db2.gz BNNQFRLEKFVGSY-GFCCVEGCSA-N 0 0 317.349 0.760 50 0 DCAARN CN1C[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1=O ZINC000095956344 193458229 /nfs/dbraw/zinc/45/82/29/193458229.db2.gz YFHUAEIPKAVAMS-KBPBESRZSA-N 0 0 315.373 0.382 50 0 DCAARN CN(C)c1ccccc1N(C)CC(=O)N[C@@H]1CCCCNC1=O ZINC000095977674 193472286 /nfs/dbraw/zinc/47/22/86/193472286.db2.gz QTFXLVWMMKOJAS-CYBMUJFWSA-N 0 0 318.421 0.974 50 0 DCAARN CCOC(=O)C1(C)CCN(C(=O)c2ccc(C(N)=O)nc2)CC1 ZINC000095983373 193475548 /nfs/dbraw/zinc/47/55/48/193475548.db2.gz MNDWQJDWJXLSRS-UHFFFAOYSA-N 0 0 319.361 0.986 50 0 DCAARN O=C([C@H]1CCCN(c2ccccn2)C1)N1CCS(=O)(=O)CC1 ZINC000096151667 193553277 /nfs/dbraw/zinc/55/32/77/193553277.db2.gz XBSVKTYJNDKRBI-ZDUSSCGKSA-N 0 0 323.418 0.555 50 0 DCAARN COC(=O)c1ccccc1NC(=O)CSc1nc(N)n[nH]1 ZINC000008205807 181535366 /nfs/dbraw/zinc/53/53/66/181535366.db2.gz POOBTWBAFVOKOP-UHFFFAOYSA-N 0 0 307.335 0.904 50 0 DCAARN CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000008327579 181548949 /nfs/dbraw/zinc/54/89/49/181548949.db2.gz USNQYIFPHUWCDY-UHFFFAOYSA-N 0 0 315.370 0.862 50 0 DCAARN C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCC(C(N)=O)CC1 ZINC000012791451 181798615 /nfs/dbraw/zinc/79/86/15/181798615.db2.gz JOFULRJWKQEPOS-MRVPVSSYSA-N 0 0 324.406 0.371 50 0 DCAARN CC(=O)c1cccc(OC[C@@H](O)CN2C(=O)CN(C)C2=O)c1 ZINC000012988129 181819184 /nfs/dbraw/zinc/81/91/84/181819184.db2.gz NDDNQSCARIPRJG-LBPRGKRZSA-N 0 0 306.318 0.523 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)Nc1nc2ccccc2s1 ZINC000014115958 181926817 /nfs/dbraw/zinc/92/68/17/181926817.db2.gz OPFQCMUWPFINSG-UHFFFAOYSA-N 0 0 302.315 0.785 50 0 DCAARN CCCn1nnnc1CN(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000015447897 182002384 /nfs/dbraw/zinc/00/23/84/182002384.db2.gz KJABKAVICFWSEH-UHFFFAOYSA-N 0 0 313.365 0.952 50 0 DCAARN CC(=O)c1cccc(S(=O)(=O)NNc2nc(C)cc(=O)[nH]2)c1 ZINC000015587719 182008202 /nfs/dbraw/zinc/00/82/02/182008202.db2.gz RNDUBHVTTOWIFX-UHFFFAOYSA-N 0 0 322.346 0.586 50 0 DCAARN CC1(C)O[C@H]2O[C@H]([C@H](O)CO)[C@H](OCc3ccccc3)[C@H]2O1 ZINC000015809900 182018588 /nfs/dbraw/zinc/01/85/88/182018588.db2.gz CIFFIYJOTIJKSX-UXXRCYHCSA-N 0 0 310.346 0.801 50 0 in-vitro DCAARN CC1(C)O[C@H]2O[C@H]([C@H](O)CO)[C@@H](OCc3ccccc3)[C@H]2O1 ZINC000015809905 182018650 /nfs/dbraw/zinc/01/86/50/182018650.db2.gz CIFFIYJOTIJKSX-KJWHEZOQSA-N 0 0 310.346 0.801 50 0 DCAARN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NCCCO ZINC000097367475 193711139 /nfs/dbraw/zinc/71/11/39/193711139.db2.gz ZYTLMFQWBWBLQB-ZDUSSCGKSA-N 0 0 307.329 0.403 50 0 DCAARN O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc2c(c1)OCO2 ZINC000016045215 182030234 /nfs/dbraw/zinc/03/02/34/182030234.db2.gz FNPATGSZJXNDDQ-UHFFFAOYSA-N 0 0 316.269 0.899 50 0 DCAARN CC[C@H]1CCCCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000016445068 182045098 /nfs/dbraw/zinc/04/50/98/182045098.db2.gz QYADZPDVPSSTAV-JTQLQIEISA-N 0 0 308.382 0.113 50 0 DCAARN CC(C)NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000016648565 182055239 /nfs/dbraw/zinc/05/52/39/182055239.db2.gz IIWZMWXVSWSJDY-UHFFFAOYSA-N 0 0 300.380 0.840 50 0 DCAARN CN(C)S(=O)(=O)c1csc(C(=O)N2CCOCC2)c1 ZINC000016649749 182056223 /nfs/dbraw/zinc/05/62/23/182056223.db2.gz PPKFPGJXXUKVNS-UHFFFAOYSA-N 0 0 304.393 0.471 50 0 DCAARN CC(C)CNC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12 ZINC000017113235 182075764 /nfs/dbraw/zinc/07/57/64/182075764.db2.gz CGFXRNDSSXSKRM-UHFFFAOYSA-N 0 0 302.334 0.312 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(=O)[nH]c2ccccc21 ZINC000017636433 182084958 /nfs/dbraw/zinc/08/49/58/182084958.db2.gz RNJVLRSRZGTBIR-VIFPVBQESA-N 0 0 306.343 0.445 50 0 DCAARN CCOC(=O)CC12CN3CN(C1)CC(CC(=O)OCC)(C3)C2=O ZINC000019319655 182114944 /nfs/dbraw/zinc/11/49/44/182114944.db2.gz RGWOPIBCSWIZMM-UHFFFAOYSA-N 0 0 324.377 0.037 50 0 DCAARN NC(=O)CSc1nc2sc3c(c2c(=O)n1N)CCCC3 ZINC000019797114 182150922 /nfs/dbraw/zinc/15/09/22/182150922.db2.gz OPKQARGEMQEMIC-UHFFFAOYSA-N 0 0 310.404 0.628 50 0 DCAARN Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N(C)C)cc1 ZINC000019795908 182151166 /nfs/dbraw/zinc/15/11/66/182151166.db2.gz FWJKEFOXAHCCPX-STQMWFEESA-N 0 0 317.432 0.496 50 0 DCAARN Cn1c(SCC(=O)Nc2nc[nH]n2)nnc1-c1ccncc1 ZINC000019850494 182157091 /nfs/dbraw/zinc/15/70/91/182157091.db2.gz KDCZZUWNOIRIDN-UHFFFAOYSA-N 0 0 316.350 0.726 50 0 DCAARN Cc1nc2ccccc2n1CC(=O)NCCN1CCOCC1 ZINC000019878144 182159761 /nfs/dbraw/zinc/15/97/61/182159761.db2.gz KCQGIBSFIBQWKF-UHFFFAOYSA-N 0 0 302.378 0.793 50 0 DCAARN O=C(NCCn1cccn1)[C@H]1CC(=O)N(Cc2cccnc2)C1 ZINC000020256909 182199958 /nfs/dbraw/zinc/19/99/58/182199958.db2.gz HWLHFRZQQBXWHL-AWEZNQCLSA-N 0 0 313.361 0.443 50 0 DCAARN CC(C)N1CNc2c(c(=O)[nH]c(=O)n2Cc2cccnc2)C1 ZINC000020573608 182234427 /nfs/dbraw/zinc/23/44/27/182234427.db2.gz UGIZAMMOLFISFK-UHFFFAOYSA-N 0 0 301.350 0.573 50 0 DCAARN CCn1cc([C@H]2C(C(N)=O)=C(C)Nc3nc(SC)nn32)cn1 ZINC000020607162 182237802 /nfs/dbraw/zinc/23/78/02/182237802.db2.gz YSVOYFQKIAMJEY-JTQLQIEISA-N 0 0 319.394 0.991 50 0 DCAARN CCN1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000020608786 182237909 /nfs/dbraw/zinc/23/79/09/182237909.db2.gz QLCKRDILCTWKFC-UHFFFAOYSA-N 0 0 315.373 0.837 50 0 DCAARN COC(=O)c1ccc(OCc2noc(C(=O)NCCO)n2)cc1 ZINC000020744659 182245639 /nfs/dbraw/zinc/24/56/39/182245639.db2.gz CBANBPINNNOEOJ-UHFFFAOYSA-N 0 0 321.289 0.157 50 0 DCAARN CC(=O)c1cc(CC(=O)N2CCS(=O)(=O)CC2)cs1 ZINC000097743382 193752799 /nfs/dbraw/zinc/75/27/99/193752799.db2.gz MIVAMWWIOSMBIS-UHFFFAOYSA-N 0 0 301.389 0.750 50 0 DCAARN Cn1ncc2c1ncnc2N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000021132579 182266307 /nfs/dbraw/zinc/26/63/07/182266307.db2.gz YPZQMDULMRAUCV-GFCCVEGCSA-N 0 0 316.365 0.191 50 0 DCAARN COCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000021534636 182279215 /nfs/dbraw/zinc/27/92/15/182279215.db2.gz SPZJDTFXYQKFEK-UHFFFAOYSA-N 0 0 318.420 0.909 50 0 DCAARN O=C(Cn1c2c(c(=O)n3ncnc31)CCC2)N1CCCCC1 ZINC000021802413 182290478 /nfs/dbraw/zinc/29/04/78/182290478.db2.gz BVYVGTFABRQVLO-UHFFFAOYSA-N 0 0 301.350 0.392 50 0 DCAARN CC(C)CCNC(=O)Cn1c2ccccc2n(C)c(=O)c1=O ZINC000021943649 182299538 /nfs/dbraw/zinc/29/95/38/182299538.db2.gz YUZCLMQPQAEPTO-UHFFFAOYSA-N 0 0 303.362 0.863 50 0 DCAARN CCC(CC)[C@@H](CNC(=O)c1nccnc1N)N1CCOCC1 ZINC000022899234 182339886 /nfs/dbraw/zinc/33/98/86/182339886.db2.gz FBYKHLKRYQNJFH-CYBMUJFWSA-N 0 0 321.425 0.926 50 0 DCAARN Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)NCCc1ccccc1 ZINC000023142048 182350822 /nfs/dbraw/zinc/35/08/22/182350822.db2.gz OJQJTYSRTOSJGZ-UHFFFAOYSA-N 0 0 315.373 0.674 50 0 DCAARN Cc1noc(N)c1C(=O)OCC(=O)NC(=O)c1cccn1C ZINC000023076705 182346951 /nfs/dbraw/zinc/34/69/51/182346951.db2.gz TUVBSYJIGGJDNC-UHFFFAOYSA-N 0 0 306.278 0.017 50 0 DCAARN CCC(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000023134142 182350115 /nfs/dbraw/zinc/35/01/15/182350115.db2.gz RTJDHNLDKZSJOV-UHFFFAOYSA-N 0 0 300.366 0.717 50 0 DCAARN COc1ccc(F)cc1C(=O)O[C@@H](C)C(=O)N1CCNC1=O ZINC000023578865 182363837 /nfs/dbraw/zinc/36/38/37/182363837.db2.gz XFOCEYIWATXAOW-QMMMGPOBSA-N 0 0 310.281 0.931 50 0 DCAARN CCOc1ccc(OCCNC(=O)CN2CCOCC2)cc1 ZINC000023695919 182366521 /nfs/dbraw/zinc/36/65/21/182366521.db2.gz UYHGUYHBFJHESK-UHFFFAOYSA-N 0 0 308.378 0.913 50 0 DCAARN Cc1ccc(NC(=O)CN(C)C(=O)CN2CCOCC2)cc1 ZINC000024165044 182375536 /nfs/dbraw/zinc/37/55/36/182375536.db2.gz FZQVCAGUTJAIOY-UHFFFAOYSA-N 0 0 305.378 0.724 50 0 DCAARN CN(Cc1cccs1)C(=O)COC(=O)c1nccnc1N ZINC000024301034 182378879 /nfs/dbraw/zinc/37/88/79/182378879.db2.gz ILSFKROPOBFPPW-UHFFFAOYSA-N 0 0 306.347 0.936 50 0 DCAARN O=C1[C@@H]2CCCN2C(=O)N1C[C@@H](O)COc1ccc(F)cc1 ZINC000024719705 182389146 /nfs/dbraw/zinc/38/91/46/182389146.db2.gz JHQVMKVLWMOOQV-YPMHNXCESA-N 0 0 308.309 0.992 50 0 DCAARN Cc1cc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)on1 ZINC000024681363 182386824 /nfs/dbraw/zinc/38/68/24/182386824.db2.gz SSQVTSRLNADCAY-SNVBAGLBSA-N 0 0 301.368 0.527 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)c2cc(F)ccc2F)CC1 ZINC000025230737 182404946 /nfs/dbraw/zinc/40/49/46/182404946.db2.gz MNXPRKVTZWKWIC-UHFFFAOYSA-N 0 0 311.332 0.905 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000025205443 182404321 /nfs/dbraw/zinc/40/43/21/182404321.db2.gz JCAMGHSRBHHCLU-GFCCVEGCSA-N 0 0 301.412 0.293 50 0 DCAARN CC1(C)O[C@@H]2O[C@@H]([C@@H](O)CNC(=O)c3ccccc3)[C@H](O)[C@@H]2O1 ZINC000025663629 182419201 /nfs/dbraw/zinc/41/92/01/182419201.db2.gz WLYZZWYBLUGTEJ-CXOVXGEYSA-N 0 0 323.345 0.015 50 0 DCAARN CC(C)[C@@H](NC(N)=O)C(=O)NCCc1ccc2c(c1)OCO2 ZINC000026911958 182458447 /nfs/dbraw/zinc/45/84/47/182458447.db2.gz SYFHMYBJIAEVBY-CYBMUJFWSA-N 0 0 307.350 0.767 50 0 DCAARN COc1ccc(C)cc1CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC000030912819 182602356 /nfs/dbraw/zinc/60/23/56/182602356.db2.gz BIXNSCRFJJVCOB-GFCCVEGCSA-N 0 0 319.361 0.651 50 0 DCAARN CN1N=C(C(=O)NCCc2ccc3c(c2)OCO3)CCC1=O ZINC000032210855 182637988 /nfs/dbraw/zinc/63/79/88/182637988.db2.gz CBRWOBKUZMGQIO-UHFFFAOYSA-N 0 0 303.318 0.682 50 0 DCAARN C[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)N(C)C ZINC000032741892 182658251 /nfs/dbraw/zinc/65/82/51/182658251.db2.gz AJFTZKAFCLLQNK-SECBINFHSA-N 0 0 317.436 0.901 50 0 DCAARN CSCC[C@H](NS(C)(=O)=O)C(=O)NCc1cscn1 ZINC000033138991 182694801 /nfs/dbraw/zinc/69/48/01/182694801.db2.gz YTEMFNWQOZSNBM-VIFPVBQESA-N 0 0 323.465 0.430 50 0 DCAARN CC(=O)N1CCN(C(=O)C[C@H](C)NC(=O)c2ccccc2)CC1 ZINC000040462861 183070506 /nfs/dbraw/zinc/07/05/06/183070506.db2.gz QTVCWQYUZZVATI-ZDUSSCGKSA-N 0 0 317.389 0.886 50 0 DCAARN CC(=O)N1CCC(NC(=O)c2ccc(CNC(N)=O)cc2)CC1 ZINC000040465421 183072038 /nfs/dbraw/zinc/07/20/38/183072038.db2.gz NOWFMLXOQVZSKH-UHFFFAOYSA-N 0 0 318.377 0.596 50 0 DCAARN COCc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000040480857 183077043 /nfs/dbraw/zinc/07/70/43/183077043.db2.gz KAKOGZXZJXCLHR-UHFFFAOYSA-N 0 0 312.391 0.550 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)c2cc(C3CC3)on2)CC1 ZINC000040497334 183081941 /nfs/dbraw/zinc/08/19/41/183081941.db2.gz KHFWLXQEZOVIGK-UHFFFAOYSA-N 0 0 313.379 0.706 50 0 DCAARN CNC(=O)CN(C)C(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 ZINC000040498555 183082697 /nfs/dbraw/zinc/08/26/97/183082697.db2.gz HUCOGWMGVSHFJK-BJMVGYQFSA-N 0 0 315.373 0.796 50 0 DCAARN CN(C[C@H]1COc2ccccc2O1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC000040506252 183085290 /nfs/dbraw/zinc/08/52/90/183085290.db2.gz QKXHBXGXJPZXRF-RYUDHWBXSA-N 0 0 304.346 0.763 50 0 DCAARN CC(=O)N1CCC[C@@H]1C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000040510784 183086607 /nfs/dbraw/zinc/08/66/07/183086607.db2.gz HDKWUBOMHVVXKE-CQSZACIVSA-N 0 0 313.361 0.894 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cn2ccnc2)cc1 ZINC000040513605 183087850 /nfs/dbraw/zinc/08/78/50/183087850.db2.gz AYNGZYFVHHEKKI-AWEZNQCLSA-N 0 0 319.386 0.848 50 0 DCAARN O=C(N[C@@H]1CCCCNC1=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000040521498 183090948 /nfs/dbraw/zinc/09/09/48/183090948.db2.gz QAHOUWSBMDCECS-OLZOCXBDSA-N 0 0 302.330 0.553 50 0 DCAARN Cc1nnc(CN2CCC(NC(=O)c3cnn(C)c3)CC2)o1 ZINC000040540603 183096999 /nfs/dbraw/zinc/09/69/99/183096999.db2.gz AGSAYVVUOYTKJK-UHFFFAOYSA-N 0 0 304.354 0.506 50 0 DCAARN CCS(=O)(=O)NCCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000040554889 183101887 /nfs/dbraw/zinc/10/18/87/183101887.db2.gz BGLXUMJGNSTEBQ-UHFFFAOYSA-N 0 0 313.379 0.913 50 0 DCAARN CC(C)n1ncc2cc(C(=O)N3CC[C@@H](C(N)=O)C3)cnc21 ZINC000041129224 183170140 /nfs/dbraw/zinc/17/01/40/183170140.db2.gz PBWSEBUHZYRVBP-SNVBAGLBSA-N 0 0 301.350 0.960 50 0 DCAARN C[C@H]1C[C@H]1C(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000041403828 183189316 /nfs/dbraw/zinc/18/93/16/183189316.db2.gz YFALIFYLIJQUGZ-NNYUYHANSA-N 0 0 304.412 0.198 50 0 DCAARN O=C(NCc1nnc2n1CCCCC2)[C@H]1CC(=O)N(C2CC2)C1 ZINC000041820895 183221497 /nfs/dbraw/zinc/22/14/97/183221497.db2.gz NBPIBTUUEHNXLN-NSHDSACASA-N 0 0 317.393 0.632 50 0 DCAARN Cc1nnc(SCC(=O)N[C@H]2CCCCNC2=O)s1 ZINC000042151997 183236151 /nfs/dbraw/zinc/23/61/51/183236151.db2.gz HMQVYNGMQKWTCL-QMMMGPOBSA-N 0 0 300.409 0.724 50 0 DCAARN CC(C)CO[C@H](C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000042404212 183264148 /nfs/dbraw/zinc/26/41/48/183264148.db2.gz BSQXOWRIGYRNME-LLVKDONJSA-N 0 0 306.428 0.588 50 0 DCAARN CC(C)CO[C@H](C)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000042723724 183301964 /nfs/dbraw/zinc/30/19/64/183301964.db2.gz MTHLTUDIHIJSAJ-OLZOCXBDSA-N 0 0 320.455 0.978 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)N(C[C@H]1CCOC1)C1CC1 ZINC000042871936 183316041 /nfs/dbraw/zinc/31/60/41/183316041.db2.gz IYZRXVKEUJIHSP-GHMZBOCLSA-N 0 0 302.396 0.384 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)NCCCn1cnc2ccccc21 ZINC000042817214 183311843 /nfs/dbraw/zinc/31/18/43/183311843.db2.gz WXFKMWQPVFBUQM-NSHDSACASA-N 0 0 315.333 0.141 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)Nc1ccc2ccccc2n1 ZINC000044907320 183453954 /nfs/dbraw/zinc/45/39/54/183453954.db2.gz IPXYERTVNAOQHB-UHFFFAOYSA-N 0 0 319.386 0.904 50 0 DCAARN Cn1nnnc1-c1cccc(NCC(=O)NCC(F)(F)F)c1 ZINC000044914029 183455694 /nfs/dbraw/zinc/45/56/94/183455694.db2.gz CBUXMGBIUPWWOA-UHFFFAOYSA-N 0 0 314.271 0.968 50 0 DCAARN Cc1cc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)s1 ZINC000044868332 183444378 /nfs/dbraw/zinc/44/43/78/183444378.db2.gz JJBYNXZQXPFXSO-SECBINFHSA-N 0 0 309.434 0.830 50 0 DCAARN CCN(Cc1cccc(F)c1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000044874998 183445723 /nfs/dbraw/zinc/44/57/23/183445723.db2.gz HCYHXQQODHFIPL-UHFFFAOYSA-N 0 0 305.309 0.724 50 0 DCAARN C[C@H](C(=O)N1CCOCC1)S(=O)(=O)c1cc(F)ccc1F ZINC000044947484 183464415 /nfs/dbraw/zinc/46/44/15/183464415.db2.gz JYKKRIZGTFJSJB-SECBINFHSA-N 0 0 319.329 0.986 50 0 DCAARN COC[C@@H](C)NC(=O)CS(=O)(=O)c1ccc(OC)cc1 ZINC000044947831 183464434 /nfs/dbraw/zinc/46/44/34/183464434.db2.gz AJGVPLYXKXYLET-SNVBAGLBSA-N 0 0 301.364 0.620 50 0 DCAARN COc1ccc([C@H](C)NC(=O)CN(C)S(C)(=O)=O)cc1F ZINC000046041802 183545414 /nfs/dbraw/zinc/54/54/14/183545414.db2.gz ZKGAHBDNUJGGIC-VIFPVBQESA-N 0 0 318.370 0.903 50 0 DCAARN CCOC(=O)[C@@H]1CCCN([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000105131772 194077991 /nfs/dbraw/zinc/07/79/91/194077991.db2.gz OVLZEPUSHKAOKO-GHMZBOCLSA-N 0 0 322.413 0.856 50 0 DCAARN COC1CCN(C(=O)Cc2csc(N3CCNC3=O)n2)CC1 ZINC000046743020 183567574 /nfs/dbraw/zinc/56/75/74/183567574.db2.gz HWZFSYHDBAAXAX-UHFFFAOYSA-N 0 0 324.406 0.853 50 0 DCAARN CC1(C)Cc2cccc(OCC(=O)N3CCNC(=O)C3)c2O1 ZINC000046867380 183571183 /nfs/dbraw/zinc/57/11/83/183571183.db2.gz DWWHOELXIRKIKW-UHFFFAOYSA-N 0 0 304.346 0.737 50 0 DCAARN COCc1ccc(CNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000047594638 183596506 /nfs/dbraw/zinc/59/65/06/183596506.db2.gz OZPLBPWNICQCOC-CYBMUJFWSA-N 0 0 312.391 0.819 50 0 DCAARN CC(C)N1C[C@@H](C(=O)NCCN2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000106559105 194231036 /nfs/dbraw/zinc/23/10/36/194231036.db2.gz FTJRBIRWJFGBDZ-MJBXVCDLSA-N 0 0 311.426 0.469 50 0 DCAARN COCCN1CCN(CC(=O)Nc2c(C)n[nH]c2C)C[C@@H]1C ZINC000106786619 194252018 /nfs/dbraw/zinc/25/20/18/194252018.db2.gz KOCRJLCQNNJBRT-NSHDSACASA-N 0 0 309.414 0.618 50 0 DCAARN COC(=O)CCCN(C)S(=O)(=O)c1c(C)nn(C)c1C ZINC000051768894 183835730 /nfs/dbraw/zinc/83/57/30/183835730.db2.gz VUHWSLSFNSZMTI-UHFFFAOYSA-N 0 0 303.384 0.611 50 0 DCAARN O=C(Cn1nc(-c2cccs2)oc1=O)NC[C@@H]1CCCO1 ZINC000052796552 183873940 /nfs/dbraw/zinc/87/39/40/183873940.db2.gz GIABKEZPEPFBOV-VIFPVBQESA-N 0 0 309.347 0.860 50 0 DCAARN CCn1cc(Nc2nc(N)nc3c2nc(C)n3C)c(C(N)=O)n1 ZINC000057279163 184031321 /nfs/dbraw/zinc/03/13/21/184031321.db2.gz JCRGMMBLTCWWTJ-UHFFFAOYSA-N 0 0 315.341 0.313 50 0 DCAARN CN(C)C(=O)COc1cc(C(=O)NC2CCCCC2)nn1C ZINC000057312647 184033005 /nfs/dbraw/zinc/03/30/05/184033005.db2.gz JCGXNKCFZYINJQ-UHFFFAOYSA-N 0 0 308.382 0.950 50 0 DCAARN C[C@H](NC(=O)NCCNC(=O)c1ccc(F)cc1)C(=O)N(C)C ZINC000056835136 184020382 /nfs/dbraw/zinc/02/03/82/184020382.db2.gz OGHVHBFTFITHCB-JTQLQIEISA-N 0 0 324.356 0.331 50 0 DCAARN COCCn1cc(C(=O)N2CCNC(=O)C2)c2ccccc21 ZINC000057427312 184038022 /nfs/dbraw/zinc/03/80/22/184038022.db2.gz KPWDMHPBGYKKKR-UHFFFAOYSA-N 0 0 301.346 0.860 50 0 DCAARN NC(=O)CN1CCC(NC(=O)NCCOc2ccccc2)CC1 ZINC000058174736 184084249 /nfs/dbraw/zinc/08/42/49/184084249.db2.gz BYSLWALBLFZOAW-UHFFFAOYSA-N 0 0 320.393 0.314 50 0 DCAARN CN(CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1cnccn1 ZINC000058193486 184086574 /nfs/dbraw/zinc/08/65/74/184086574.db2.gz BIMMVWSQXYZPNA-ZDUSSCGKSA-N 0 0 313.361 0.126 50 0 DCAARN Cc1nn(CC(=O)N[C@H]2CCC(=O)NC2)c(=O)c2ccccc12 ZINC000058161889 184082575 /nfs/dbraw/zinc/08/25/75/184082575.db2.gz JOCXHNOAQQMRTO-NSHDSACASA-N 0 0 314.345 0.100 50 0 DCAARN CCN(C[C@@H]1CCOC1)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000058344178 184107075 /nfs/dbraw/zinc/10/70/75/184107075.db2.gz VYTRJCNSRIEUFX-NSHDSACASA-N 0 0 312.391 0.833 50 0 DCAARN O=c1[nH]cccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000058391961 184110993 /nfs/dbraw/zinc/11/09/93/184110993.db2.gz MRHPOQOQELTQIE-UHFFFAOYSA-N 0 0 308.315 0.947 50 0 DCAARN CCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)o2)C1=O ZINC000058283291 184099613 /nfs/dbraw/zinc/09/96/13/184099613.db2.gz ISGVZKPXNLBPDR-AWEZNQCLSA-N 0 0 322.321 0.201 50 0 DCAARN CCCS(=O)(=O)NCC(=O)N1CCc2sccc2C1 ZINC000058283111 184099770 /nfs/dbraw/zinc/09/97/70/184099770.db2.gz FCQLKRXPJMDRNF-UHFFFAOYSA-N 0 0 302.421 0.962 50 0 DCAARN CC(C)(C)NC(=O)NC(=O)Cn1c(=O)onc1-c1ccccn1 ZINC000058283092 184099932 /nfs/dbraw/zinc/09/99/32/184099932.db2.gz SOLUOPBTYAEGPQ-UHFFFAOYSA-N 0 0 319.321 0.523 50 0 DCAARN COc1ccc(-c2noc(=O)n2CC(=O)N(C)C)cc1OC ZINC000058289690 184100466 /nfs/dbraw/zinc/10/04/66/184100466.db2.gz WRBLCPHVGYUWKO-UHFFFAOYSA-N 0 0 307.306 0.609 50 0 DCAARN CN1CCO[C@H](CNC(=O)CCc2ccc3c(c2)OCO3)C1 ZINC000058332531 184106557 /nfs/dbraw/zinc/10/65/57/184106557.db2.gz ABZHXYYJGGBRDS-CYBMUJFWSA-N 0 0 306.362 0.795 50 0 DCAARN C[C@@H](NC(=O)COc1ccc(F)cc1)C(=O)N1CCOCC1 ZINC000058401426 184112932 /nfs/dbraw/zinc/11/29/32/184112932.db2.gz WQJIRQDKEXVGQO-LLVKDONJSA-N 0 0 310.325 0.568 50 0 DCAARN Cc1cc(CN2CCN(S(=O)(=O)N(C)C(C)C)CC2)no1 ZINC000058560859 184121992 /nfs/dbraw/zinc/12/19/92/184121992.db2.gz FWJFHGIQOINNRY-UHFFFAOYSA-N 0 0 316.427 0.686 50 0 DCAARN COC(=O)c1scc(C)c1NC(=O)C[C@@H]1NCCNC1=O ZINC000059595137 184139481 /nfs/dbraw/zinc/13/94/81/184139481.db2.gz FYFFNZRQWCRDPD-QMMMGPOBSA-N 0 0 311.363 0.260 50 0 DCAARN Cc1nn(C)c2ncc(NC(=O)N[C@H]3CCS(=O)(=O)C3)cc12 ZINC000061402899 184170098 /nfs/dbraw/zinc/17/00/98/184170098.db2.gz IBHQRRAMOIFCEP-VIFPVBQESA-N 0 0 323.378 0.585 50 0 DCAARN CCn1cnnc1CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000060583698 184152529 /nfs/dbraw/zinc/15/25/29/184152529.db2.gz KRHXQGYROKXPNH-QMMMGPOBSA-N 0 0 319.287 0.325 50 0 DCAARN O=C(NCCN1CCCS1(=O)=O)c1[nH]nc2ccccc21 ZINC000061598929 184176633 /nfs/dbraw/zinc/17/66/33/184176633.db2.gz MRPFGHGOPZLKPJ-UHFFFAOYSA-N 0 0 308.363 0.328 50 0 DCAARN COC(=O)[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(C)C ZINC000061718367 184185470 /nfs/dbraw/zinc/18/54/70/184185470.db2.gz ZUBSRZJOKURYSR-AWEZNQCLSA-N 0 0 317.345 0.779 50 0 DCAARN O=C(N[C@@H]1CCSC1=O)C1CN(C(=O)c2cccs2)C1 ZINC000062022612 184201921 /nfs/dbraw/zinc/20/19/21/184201921.db2.gz QHNSYHJGFXROBU-SECBINFHSA-N 0 0 310.400 0.968 50 0 DCAARN CCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(C)n1C ZINC000064923354 184306410 /nfs/dbraw/zinc/30/64/10/184306410.db2.gz KXXMNIMLQGYPQA-UHFFFAOYSA-N 0 0 316.379 0.531 50 0 DCAARN CCc1nc2sc(C)nn2c1S(=O)(=O)N1CCOCC1 ZINC000065183926 184314191 /nfs/dbraw/zinc/31/41/91/184314191.db2.gz ZKCDUGJJAMGBEC-UHFFFAOYSA-N 0 0 316.408 0.683 50 0 DCAARN COc1ccc(OC)c(N([C@@H](C)C(N)=O)S(C)(=O)=O)c1 ZINC000065363175 184329031 /nfs/dbraw/zinc/32/90/31/184329031.db2.gz GBNHFBZYCOYKQE-QMMMGPOBSA-N 0 0 302.352 0.344 50 0 DCAARN COc1ncccc1C(=O)N1CCn2c(C(N)=O)cnc2C1 ZINC000065370762 184329438 /nfs/dbraw/zinc/32/94/38/184329438.db2.gz GEUBGXIXNKNWHO-UHFFFAOYSA-N 0 0 301.306 0.042 50 0 DCAARN CCOc1ncccc1C(=O)NC1CCN(CC(=O)NC)CC1 ZINC000065407581 184339104 /nfs/dbraw/zinc/33/91/04/184339104.db2.gz QLOJVSVBFWWDDV-UHFFFAOYSA-N 0 0 320.393 0.421 50 0 DCAARN CCCN(CC(=O)OCC)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000065415519 184340557 /nfs/dbraw/zinc/34/05/57/184340557.db2.gz NTVUIBXIXVLVQX-UHFFFAOYSA-N 0 0 307.354 0.432 50 0 DCAARN CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(=O)[nH]c2)cc1 ZINC000065427358 184343017 /nfs/dbraw/zinc/34/30/17/184343017.db2.gz KJEQDPFEVBVZOI-UHFFFAOYSA-N 0 0 321.358 0.213 50 0 DCAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Cl)nn1 ZINC000065493192 184354248 /nfs/dbraw/zinc/35/42/48/184354248.db2.gz BSXOEPYDLXYEQL-UHFFFAOYSA-N 0 0 323.740 0.933 50 0 DCAARN COc1ccccc1-n1cc(C(=O)NCCS(C)(=O)=O)cn1 ZINC000065429812 184343554 /nfs/dbraw/zinc/34/35/54/184343554.db2.gz PRETXBAADLKARR-UHFFFAOYSA-N 0 0 323.374 0.655 50 0 DCAARN O=C1COc2ccc(S(=O)(=O)NC[C@@H]3CCOC3)cc2N1 ZINC000065449158 184346334 /nfs/dbraw/zinc/34/63/34/184346334.db2.gz UCWZCVOBNPCSTN-VIFPVBQESA-N 0 0 312.347 0.332 50 0 DCAARN CC(C)c1nnc2n1C[C@H](NC(=O)CN1CSCC1=O)CC2 ZINC000065539102 184363424 /nfs/dbraw/zinc/36/34/24/184363424.db2.gz RTULNLRWEQCUGL-SNVBAGLBSA-N 0 0 323.422 0.365 50 0 DCAARN C[C@H](NC(=O)CN1CCC[C@H](CNS(C)(=O)=O)C1)C1CC1 ZINC000065586496 184369346 /nfs/dbraw/zinc/36/93/46/184369346.db2.gz GJWMHOGELKNHPO-NWDGAFQWSA-N 0 0 317.455 0.162 50 0 DCAARN CCN1CCc2ncnc(N3CCN(C(=O)COC)CC3)c2C1 ZINC000065590672 184369914 /nfs/dbraw/zinc/36/99/14/184369914.db2.gz VECSAGKMUVADEK-UHFFFAOYSA-N 0 0 319.409 0.150 50 0 DCAARN CC[C@H](C(=O)NC1CCCCC1)N1CCS(=O)(=O)CC1 ZINC000065506130 184356448 /nfs/dbraw/zinc/35/64/48/184356448.db2.gz SXDDCMPRWOUHFD-CYBMUJFWSA-N 0 0 302.440 0.944 50 0 DCAARN NC(=O)NC(=O)CCN1CCN(C(=O)CC2CCCCC2)CC1 ZINC000065623918 184374798 /nfs/dbraw/zinc/37/47/98/184374798.db2.gz HIWFBQJBDHYXFM-UHFFFAOYSA-N 0 0 324.425 0.686 50 0 DCAARN CN1C[C@@H](C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1=O ZINC000065792443 184380129 /nfs/dbraw/zinc/38/01/29/184380129.db2.gz ABCFIBIHKLUIOV-VIFPVBQESA-N 0 0 303.297 0.823 50 0 DCAARN O=C1NC2(CCOCC2)C(=O)N1C[C@@H](O)c1cccc(F)c1 ZINC000069167900 184502619 /nfs/dbraw/zinc/50/26/19/184502619.db2.gz QQDPKJHWKJBAMS-GFCCVEGCSA-N 0 0 308.309 0.960 50 0 DCAARN COC(=O)Cn1ccc(NC(=O)CNC(=O)c2ccccc2)n1 ZINC000069486420 184518948 /nfs/dbraw/zinc/51/89/48/184518948.db2.gz XMKGIWMUFXOJPP-UHFFFAOYSA-N 0 0 316.317 0.425 50 0 DCAARN CC(C)[C@@H](NC(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)C(F)(F)F ZINC000333793855 252764842 /nfs/dbraw/zinc/76/48/42/252764842.db2.gz MVMHJLVXADOBJB-ATZCPNFKSA-N 0 0 323.315 0.872 50 0 DCAARN O=C1N(CN2CCOCC2)c2ccccc2C12OCCCO2 ZINC000019892800 296352628 /nfs/dbraw/zinc/35/26/28/296352628.db2.gz SEOWIAKVMMOMRB-UHFFFAOYSA-N 0 0 304.346 0.913 50 0 DCAARN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)c1cn(C(C)C)cn1 ZINC000343177838 253612200 /nfs/dbraw/zinc/61/22/00/253612200.db2.gz XQCFOZNKIVOZGI-RYUDHWBXSA-N 0 0 317.411 0.888 50 0 DCAARN COC(=O)c1cn(Nc2nc(C)cc(=O)[nH]2)cc2c(=O)[nH]nc1-2 ZINC000524733492 257213938 /nfs/dbraw/zinc/21/39/38/257213938.db2.gz NSKFONLQEWPHCL-UHFFFAOYSA-N 0 0 316.277 0.554 50 0 DCAARN O=C(CCCn1cnnn1)Nc1ccc(Cn2cncn2)cc1 ZINC000524732735 257214107 /nfs/dbraw/zinc/21/41/07/257214107.db2.gz XZSXPLOYQGDZQZ-UHFFFAOYSA-N 0 0 312.337 0.732 50 0 DCAARN COCCn1ccc(=O)c(OCC(=O)Nc2ccncc2)c1C ZINC000524733494 257214133 /nfs/dbraw/zinc/21/41/33/257214133.db2.gz OAFFKMARNSVOIR-UHFFFAOYSA-N 0 0 317.345 0.638 50 0 DCAARN COc1ccc(NC(C)=O)cc1NC(=O)CCn1cnnn1 ZINC000524732886 257214176 /nfs/dbraw/zinc/21/41/76/257214176.db2.gz XCDLBCZMJUFGNR-UHFFFAOYSA-N 0 0 304.310 0.669 50 0 DCAARN Nc1nc(Cl)cc(Nc2ccc(N3CCNC(=O)C3)nc2)n1 ZINC000096308210 257272211 /nfs/dbraw/zinc/27/22/11/257272211.db2.gz XPLXZPOPIWDBCM-UHFFFAOYSA-N 0 0 319.756 0.787 50 0 DCAARN C[C@H]1C[C@@H]1C(=O)N1CC(CS(=O)(=O)NCc2ccccn2)C1 ZINC000521398242 257240007 /nfs/dbraw/zinc/24/00/07/257240007.db2.gz FZKIKLCNDMHYOL-FZMZJTMJSA-N 0 0 323.418 0.615 50 0 DCAARN O=C(c1ccccc1)N1CC(CS(=O)(=O)N2CCOCC2)C1 ZINC000521398271 257240588 /nfs/dbraw/zinc/24/05/88/257240588.db2.gz UAHXEPSETQSFKO-UHFFFAOYSA-N 0 0 324.402 0.421 50 0 DCAARN O=C(NCC[C@@H]1COc2ccccc2O1)c1cncc(=O)[nH]1 ZINC000426727539 257243291 /nfs/dbraw/zinc/24/32/91/257243291.db2.gz UFDOSXCLVMSFPK-SNVBAGLBSA-N 0 0 301.302 0.730 50 0 DCAARN CN1CCN(CC(=O)N(Cc2cocn2)Cc2cocn2)C1=O ZINC000426730559 257243580 /nfs/dbraw/zinc/24/35/80/257243580.db2.gz WBOAIRMLXGCCEB-UHFFFAOYSA-N 0 0 319.321 0.559 50 0 DCAARN CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)Cc1n[nH]c(=O)[n-]1 ZINC000426722353 257243675 /nfs/dbraw/zinc/24/36/75/257243675.db2.gz CVQUSMCIOMAGTM-CYBMUJFWSA-N 0 0 315.377 0.568 50 0 DCAARN CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)Cc1n[nH]c(=O)[n-]1 ZINC000426722354 257243886 /nfs/dbraw/zinc/24/38/86/257243886.db2.gz CVQUSMCIOMAGTM-ZDUSSCGKSA-N 0 0 315.377 0.568 50 0 DCAARN CN(C)c1nsc(N2CC[C@@H](Nc3ncccn3)[C@H](O)C2)n1 ZINC000426685207 257244537 /nfs/dbraw/zinc/24/45/37/257244537.db2.gz ALNSPXOBAFGLGD-NXEZZACHSA-N 0 0 321.410 0.446 50 0 DCAARN O=C(Cc1ccccn1)N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000426615217 257244915 /nfs/dbraw/zinc/24/49/15/257244915.db2.gz VJJRWEYNASIMBD-AWEZNQCLSA-N 0 0 303.362 0.474 50 0 DCAARN CCN(Cc1nc(C(C)C)no1)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000426628352 257245341 /nfs/dbraw/zinc/24/53/41/257245341.db2.gz WUCOCMFNASDLRF-SNVBAGLBSA-N 0 0 315.395 0.976 50 0 DCAARN CN(Cc1cnc2ccccc2n1)C(=O)NCCS(C)(=O)=O ZINC000426582716 257245907 /nfs/dbraw/zinc/24/59/07/257245907.db2.gz BLIAOGBARCHUGO-UHFFFAOYSA-N 0 0 322.390 0.816 50 0 DCAARN Cc1cc(CC(=O)N2CC[C@@H](Nc3ncccn3)[C@H](O)C2)on1 ZINC000426582931 257246404 /nfs/dbraw/zinc/24/64/04/257246404.db2.gz YATBKMGADSZLBB-CHWSQXEVSA-N 0 0 317.349 0.389 50 0 DCAARN CCCn1cnnc1CN(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000426538253 257246822 /nfs/dbraw/zinc/24/68/22/257246822.db2.gz BLTHKASXIJRLSO-JTQLQIEISA-N 0 0 300.384 0.081 50 0 DCAARN Cc1nccn1[C@@H](C)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000426555715 257246859 /nfs/dbraw/zinc/24/68/59/257246859.db2.gz ZJDGLPGKXKHWFC-NSHDSACASA-N 0 0 314.411 0.246 50 0 DCAARN Cc1cc(=O)cc(C(=O)N2CCN(C3CCCC3)C(=O)C2)n1C ZINC000426509885 257248773 /nfs/dbraw/zinc/24/87/73/257248773.db2.gz FDXBRPVLMNCTFY-UHFFFAOYSA-N 0 0 317.389 0.921 50 0 DCAARN CCN(C(=O)Nc1ccc2c(c1)OCC(=O)N2)[C@H]1COC[C@@H]1O ZINC000426486084 257249590 /nfs/dbraw/zinc/24/95/90/257249590.db2.gz HUKJTIHHDVWAKJ-RYUDHWBXSA-N 0 0 321.333 0.631 50 0 DCAARN O=C(N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O)c1ccon1 ZINC000426485742 257249618 /nfs/dbraw/zinc/24/96/18/257249618.db2.gz MTCOETGHLLEDCQ-TZMCWYRMSA-N 0 0 302.334 0.435 50 0 DCAARN CN1CCN(CC(=O)N2CCC(Cn3ccnc3)CC2)C1=O ZINC000426471705 257249769 /nfs/dbraw/zinc/24/97/69/257249769.db2.gz UAXJKJNWTLBWJM-UHFFFAOYSA-N 0 0 305.382 0.489 50 0 DCAARN Cc1ccc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)c(=O)n1C ZINC000426435345 257250338 /nfs/dbraw/zinc/25/03/38/257250338.db2.gz HRMQOKWJKYBNPH-UHFFFAOYSA-N 0 0 315.255 0.761 50 0 DCAARN OC1CN(c2nc([C@@H]3CCOC3)cc(N3CCSCC3)n2)C1 ZINC000426403449 257251050 /nfs/dbraw/zinc/25/10/50/257251050.db2.gz DMMDOQAERCXSKX-LLVKDONJSA-N 0 0 322.434 0.715 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1 ZINC000426409170 257251961 /nfs/dbraw/zinc/25/19/61/257251961.db2.gz BMVWWYIJOAFXDP-XRGAULLZSA-N 0 0 321.421 0.560 50 0 DCAARN O=C(Cn1cnc2ccsc2c1=O)N1CCn2cncc2C1 ZINC000426372314 257253088 /nfs/dbraw/zinc/25/30/88/257253088.db2.gz QMHRXFWAWNUALO-UHFFFAOYSA-N 0 0 315.358 0.697 50 0 DCAARN CSC1=N[C@@H]2[C@H](C(C)=O)C(=O)N(c3ccccc3)[C@H]2NN1 ZINC000334157469 257261894 /nfs/dbraw/zinc/26/18/94/257261894.db2.gz DQZQSFIODUGNKW-QJPTWQEYSA-N 0 0 304.375 0.760 50 0 DCAARN Cc1cc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)n[nH]1 ZINC000253410100 291950639 /nfs/dbraw/zinc/95/06/39/291950639.db2.gz MVTSCCUWJKTDSI-LLVKDONJSA-N 0 0 313.317 0.797 50 0 biogenic DCAARN Cc1ccccc1CC(=O)N1CCN([C@H]2CCOC2=O)CC1 ZINC000071851716 184869008 /nfs/dbraw/zinc/86/90/08/184869008.db2.gz WRDRPFXVWWMPCK-HNNXBMFYSA-N 0 0 302.374 0.997 50 0 DCAARN CNC(=O)C[C@@H]1COc2ccc(C(=O)NCCOC)cc2N1C ZINC000071774778 184840647 /nfs/dbraw/zinc/84/06/47/184840647.db2.gz WWRLQBIHCWUSKL-GFCCVEGCSA-N 0 0 321.377 0.396 50 0 DCAARN CS(=O)(=O)CCn1cnc2c(nnn2-c2ccccc2)c1=O ZINC000071792483 184842365 /nfs/dbraw/zinc/84/23/65/184842365.db2.gz DCOSHOOOXLFWFQ-UHFFFAOYSA-N 0 0 319.346 0.022 50 0 DCAARN O=C(Nc1cc(-n2cnnn2)ccc1Cl)[C@@H]1COCCO1 ZINC000071884147 184887699 /nfs/dbraw/zinc/88/76/99/184887699.db2.gz OKPFEWYDCNWWST-NSHDSACASA-N 0 0 309.713 0.670 50 0 DCAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000071915361 184903959 /nfs/dbraw/zinc/90/39/59/184903959.db2.gz SWWQIGPUFZMOQQ-FZMZJTMJSA-N 0 0 321.377 0.771 50 0 DCAARN C(Nc1nc2nonc2nc1N1CCCCC1)[C@@H]1COCCO1 ZINC000012075960 533372985 /nfs/dbraw/zinc/37/29/85/533372985.db2.gz CRRNJFDFNYYUTI-SNVBAGLBSA-N 0 0 320.353 0.830 50 0 DCAARN COc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)c1 ZINC000046142454 134745983 /nfs/dbraw/zinc/74/59/83/134745983.db2.gz IHEMAJIGJDSYBV-ZDUSSCGKSA-N 0 0 317.389 0.822 50 0 DCAARN O=C(OCc1cc(=O)oc2cc(O)ccc12)C1=NNC(=O)CC1 ZINC000008325390 395684371 /nfs/dbraw/zinc/68/43/71/395684371.db2.gz SHEVFBRNERNIQV-UHFFFAOYSA-N 0 0 316.269 0.808 50 0 DCAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC(=O)Nc2ncnn21 ZINC000009319756 395685251 /nfs/dbraw/zinc/68/52/51/395685251.db2.gz LGVWOVXQWDEIEV-SECBINFHSA-N 0 0 315.289 0.571 50 0 DCAARN COCCN1CC2=C(C1=O)[C@H](c1ccc(F)cc1)NC(=O)N2 ZINC000009317251 395685356 /nfs/dbraw/zinc/68/53/56/395685356.db2.gz KQAXWUNCQDBLBT-ZDUSSCGKSA-N 0 0 305.309 0.922 50 0 DCAARN COC[C@H](C)NC(=O)COc1ccc(Cl)cc1C(N)=O ZINC000009647147 395685475 /nfs/dbraw/zinc/68/54/75/395685475.db2.gz GNLGNBXADNBWGX-QMMMGPOBSA-N 0 0 300.742 0.969 50 0 DCAARN C[C@@H](OC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(N)=O ZINC000010241679 395685943 /nfs/dbraw/zinc/68/59/43/395685943.db2.gz JFQLSVCPVPIQSP-ZCFIWIBFSA-N 0 0 305.739 0.774 50 0 DCAARN CC(C)c1cc(NC(=O)COC(=O)c2nccnc2N)on1 ZINC000010141612 395685986 /nfs/dbraw/zinc/68/59/86/395685986.db2.gz JNHMJBSXCOFOSO-UHFFFAOYSA-N 0 0 305.294 0.966 50 0 DCAARN Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)no1 ZINC000010330891 395686122 /nfs/dbraw/zinc/68/61/22/395686122.db2.gz JBYMVVQSDPUVLT-JTQLQIEISA-N 0 0 306.322 0.934 50 0 DCAARN C[C@@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CCO1 ZINC000011498573 395686738 /nfs/dbraw/zinc/68/67/38/395686738.db2.gz MXFVXMOUTLMSOB-SNVBAGLBSA-N 0 0 306.318 0.392 50 0 DCAARN O=C(Cn1cnnn1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000011872941 395686921 /nfs/dbraw/zinc/68/69/21/395686921.db2.gz UFWNIOZBQAKNEJ-UHFFFAOYSA-N 0 0 315.377 0.517 50 0 DCAARN CCOc1cc(N2CCN(S(=O)(=O)CC)CC2)nc(C)n1 ZINC000012224653 395687200 /nfs/dbraw/zinc/68/72/00/395687200.db2.gz PSMPOGFXEXKKLI-UHFFFAOYSA-N 0 0 314.411 0.655 50 0 DCAARN O=C(Cn1cccn1)N[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000012196040 395687225 /nfs/dbraw/zinc/68/72/25/395687225.db2.gz JTCKIZIGRLVEJJ-HNNXBMFYSA-N 0 0 312.373 0.843 50 0 DCAARN C[C@@H](O)CN1CC2=C(C1=O)[C@@H](c1ccc(F)cc1)NC(=O)N2 ZINC000012345859 395687493 /nfs/dbraw/zinc/68/74/93/395687493.db2.gz CRWYIKADYNRFIW-AMIZOPFISA-N 0 0 305.309 0.657 50 0 DCAARN Cc1ccc(CNC(=O)Cn2cnc3c(nnn3C)c2=O)cc1 ZINC000012443944 395687666 /nfs/dbraw/zinc/68/76/66/395687666.db2.gz VCMUSZBPVIJNHR-UHFFFAOYSA-N 0 0 312.333 0.150 50 0 DCAARN CNC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000012380551 395687671 /nfs/dbraw/zinc/68/76/71/395687671.db2.gz LLXRUKQZCKKWOX-SECBINFHSA-N 0 0 314.363 0.358 50 0 DCAARN CCS(=O)(=O)N1CCC(Nc2ncnc3n[nH]cc32)CC1 ZINC000012574022 395687896 /nfs/dbraw/zinc/68/78/96/395687896.db2.gz NSDQECUODNQMSL-UHFFFAOYSA-N 0 0 310.383 0.579 50 0 DCAARN CN(C)c1nc(N)nc(COc2cccc(-n3cnnn3)c2)n1 ZINC000012872094 395688099 /nfs/dbraw/zinc/68/80/99/395688099.db2.gz BPNBJSAMNSNFDV-UHFFFAOYSA-N 0 0 313.325 0.075 50 0 DCAARN NC(=O)c1cc(NC(=O)[C@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000012868727 395688207 /nfs/dbraw/zinc/68/82/07/395688207.db2.gz UJNQUYZWOSDLAE-ZETCQYMHSA-N 0 0 316.766 0.812 50 0 DCAARN Cc1cnc(C(=O)NCc2cccnc2N2CCOCC2)cn1 ZINC000012989695 395688236 /nfs/dbraw/zinc/68/82/36/395688236.db2.gz NXYYSBSEBQBCTN-UHFFFAOYSA-N 0 0 313.361 0.947 50 0 DCAARN Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ncn[nH]1)C(C)C ZINC000012974050 395688306 /nfs/dbraw/zinc/68/83/06/395688306.db2.gz FHBBGHQUTDQHFB-GFCCVEGCSA-N 0 0 301.350 0.928 50 0 DCAARN O=C1[C@@H]2[C@H]3C[C@@H]([C@H]2C(=O)N1c1cccc(Cl)c1)[C@H](O)[C@@H]3O ZINC000013656075 395688772 /nfs/dbraw/zinc/68/87/72/395688772.db2.gz JHVMYMCZPFIKFZ-KALVJPODSA-N 0 0 307.733 0.817 50 0 DCAARN O=C(CNC(=O)c1cccs1)NCC(=O)N1CCCCCC1 ZINC000014230719 395689323 /nfs/dbraw/zinc/68/93/23/395689323.db2.gz UZJNMIUDOVLWPQ-UHFFFAOYSA-N 0 0 323.418 0.997 50 0 DCAARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCCC1 ZINC000014189088 395689371 /nfs/dbraw/zinc/68/93/71/395689371.db2.gz NFEWQJMQOHFUCZ-NSHDSACASA-N 0 0 323.418 0.707 50 0 DCAARN O=C(CN1CCN(C(=O)c2ccco2)CC1)N1CCOC1=O ZINC000014240681 395689454 /nfs/dbraw/zinc/68/94/54/395689454.db2.gz DVPKBSOTNXFDCD-UHFFFAOYSA-N 0 0 307.306 0.016 50 0 DCAARN CSc1cccc(CN2CCN3C(=O)[C@@H](C)NC(=O)[C@H]3C2)c1 ZINC000014535483 395689468 /nfs/dbraw/zinc/68/94/68/395689468.db2.gz MZJREGHPPQHAPD-BXUZGUMPSA-N 0 0 319.430 0.940 50 0 DCAARN O=C(c1cccs1)N1CCN2C(=O)[C@@H]3CCCN3C(=O)[C@H]2C1 ZINC000014744306 395689564 /nfs/dbraw/zinc/68/95/64/395689564.db2.gz FZHGHDIHUBQZBQ-WDEREUQCSA-N 0 0 319.386 0.406 50 0 DCAARN CC1(C)O[C@@H]2[C@H](O1)[C@H](CO)O[C@H]2n1ccc(=O)[nH]c1=S ZINC000014766428 395689597 /nfs/dbraw/zinc/68/95/97/395689597.db2.gz YZPAYNHRIOAAHF-JZKKDOLYSA-N 0 0 300.336 0.316 50 0 DCAARN CCCC[C@H](NC(=O)CSc1nc(N)cc(=O)[nH]1)C(C)=O ZINC000015083526 395689787 /nfs/dbraw/zinc/68/97/87/395689787.db2.gz POIOGPLTAVFLAX-VIFPVBQESA-N 0 0 312.395 0.708 50 0 DCAARN COc1cc([C@H]2CC(=O)Nc3n[nH]cc32)ccc1OCC(N)=O ZINC000015085258 395689792 /nfs/dbraw/zinc/68/97/92/395689792.db2.gz JIIIEWFGOQXPAI-SECBINFHSA-N 0 0 316.317 0.757 50 0 DCAARN NC(=O)CSc1nnc2n1N=CN(c1ccccc1F)C2 ZINC000019897472 395691193 /nfs/dbraw/zinc/69/11/93/395691193.db2.gz IIOJLLIARPEYNK-UHFFFAOYSA-N 0 0 306.326 0.806 50 0 DCAARN C[C@@H]1C[C@@H]1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000023462328 395692460 /nfs/dbraw/zinc/69/24/60/395692460.db2.gz XKDJWXHCVZJHOG-MNOVXSKESA-N 0 0 300.366 0.668 50 0 DCAARN Cn1c2ncn(CC(=O)Nc3ccccc3)c2c(=O)n(C)c1=O ZINC000000067887 395679706 /nfs/dbraw/zinc/67/97/06/395679706.db2.gz BTYXQLGBPSPXHT-UHFFFAOYSA-N 0 0 313.317 0.072 50 0 biogenic DCAARN COc1ccc(CC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1OC ZINC000000179755 395679895 /nfs/dbraw/zinc/67/98/95/395679895.db2.gz KUSNOJRCNRSOKY-UHFFFAOYSA-N 0 0 305.290 0.262 50 0 DCAARN CC(C)(C)NC(=O)Cn1nnc(-c2ccc3c(c2)OCO3)n1 ZINC000000176892 395679910 /nfs/dbraw/zinc/67/99/10/395679910.db2.gz DLTHHNMZTVGQOJ-UHFFFAOYSA-N 0 0 303.322 0.984 50 0 DCAARN O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCSC1=O ZINC000000182435 395679991 /nfs/dbraw/zinc/67/99/91/395679991.db2.gz SIHOMBUNZPZDHE-SNVBAGLBSA-N 0 0 304.327 0.431 50 0 DCAARN COC(CN(C)S(=O)(=O)c1cccc2nsnc21)OC ZINC000000212948 395680060 /nfs/dbraw/zinc/68/00/60/395680060.db2.gz SRXMVWZQWURLKE-UHFFFAOYSA-N 0 0 317.392 0.931 50 0 DCAARN O=C(CSc1nnnn1-c1ccccc1)N1CCOCC1 ZINC000000291498 395680226 /nfs/dbraw/zinc/68/02/26/395680226.db2.gz SNZKRVMSKZMXHA-UHFFFAOYSA-N 0 0 305.363 0.613 50 0 DCAARN CN(c1ccc(C(=O)N2CCN(C)CC2)cc1)S(C)(=O)=O ZINC000000479707 395680459 /nfs/dbraw/zinc/68/04/59/395680459.db2.gz ZBVWRYOXEKREKB-UHFFFAOYSA-N 0 0 311.407 0.470 50 0 DCAARN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000000615169 395680546 /nfs/dbraw/zinc/68/05/46/395680546.db2.gz CKBIMYBSIODKDU-NWDGAFQWSA-N 0 0 312.391 0.649 50 0 DCAARN CS(=O)(=O)N(CC(=O)NC1CC1)c1ccc2c(c1)OCO2 ZINC000001061401 395680639 /nfs/dbraw/zinc/68/06/39/395680639.db2.gz WYSQWWCCTJWORK-UHFFFAOYSA-N 0 0 312.347 0.460 50 0 DCAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(S(C)(=O)=O)C2)cc1 ZINC000000814310 395680676 /nfs/dbraw/zinc/68/06/76/395680676.db2.gz OBFGXCTYNODBOY-LLVKDONJSA-N 0 0 318.420 0.607 50 0 DCAARN CSCC[C@H]([NH2+]Cc1oc(CO)cc(=O)c1O)C(=O)[O-] ZINC000001697458 395681180 /nfs/dbraw/zinc/68/11/80/395681180.db2.gz GZEAQLNHTBGEPS-QMMMGPOBSA-N 0 0 303.336 0.134 50 0 biogenic DCAARN CCCCCn1c(NCCOC)nc2c1c(=O)[nH]c(=O)n2C ZINC000001839879 395681292 /nfs/dbraw/zinc/68/12/92/395681292.db2.gz JHDZJJFEDMCLDX-UHFFFAOYSA-N 0 0 309.370 0.672 50 0 DCAARN COC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1 ZINC000002267922 395681356 /nfs/dbraw/zinc/68/13/56/395681356.db2.gz KRGFPYHJKNWOGI-GFCCVEGCSA-N 0 0 306.318 0.707 50 0 DCAARN Cc1ccccc1NC(=O)COC(=O)c1c[nH]c(=O)[nH]c1=O ZINC000002638137 395681677 /nfs/dbraw/zinc/68/16/77/395681677.db2.gz UTZJTQPYMFGACL-UHFFFAOYSA-N 0 0 303.274 0.167 50 0 DCAARN C[C@H](C(=O)NC(N)=O)N1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000002645852 395681715 /nfs/dbraw/zinc/68/17/15/395681715.db2.gz RHUOAINZKRSBII-CLAHSXSESA-N 0 0 304.306 0.037 50 0 DCAARN CCn1nc(C(=O)O[C@@H]2CCOC2=O)c2ccccc2c1=O ZINC000002664643 395681825 /nfs/dbraw/zinc/68/18/25/395681825.db2.gz DBTMJCVYRHKXNH-LLVKDONJSA-N 0 0 302.286 0.889 50 0 DCAARN Cn1cc(CNC(=O)CCS(=O)(=O)c2ccccc2)cn1 ZINC000002809167 395681966 /nfs/dbraw/zinc/68/19/66/395681966.db2.gz TZQTVYQXNMTZHG-UHFFFAOYSA-N 0 0 307.375 0.900 50 0 DCAARN CS(=O)(=O)N1CCN(C(=S)NC2CCCCC2)CC1 ZINC000002853383 395682004 /nfs/dbraw/zinc/68/20/04/395682004.db2.gz MXEMLVBNVHMNKD-UHFFFAOYSA-N 0 0 305.469 0.771 50 0 DCAARN CCOC(=O)c1ccc(NC(=O)C(=O)N2CCOCC2)cc1 ZINC000002902379 395682083 /nfs/dbraw/zinc/68/20/83/395682083.db2.gz RJCWKTYMPQZCJP-UHFFFAOYSA-N 0 0 306.318 0.661 50 0 DCAARN COCCNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000002989291 395682207 /nfs/dbraw/zinc/68/22/07/395682207.db2.gz XXCFWXSKPIIQCT-UHFFFAOYSA-N 0 0 314.407 0.832 50 0 DCAARN Cn1c(C(=O)N2CCOCC2)cc2c1nc1ccccn1c2=O ZINC000002916976 395682213 /nfs/dbraw/zinc/68/22/13/395682213.db2.gz SLUBAXINYMTVQW-UHFFFAOYSA-N 0 0 312.329 0.659 50 0 DCAARN Cc1[nH]c(=O)n(C)c(=O)c1S(=O)(=O)N(C)Cc1ccccc1 ZINC000004625613 395682557 /nfs/dbraw/zinc/68/25/57/395682557.db2.gz LALFCDSVWZVFNT-UHFFFAOYSA-N 0 0 323.374 0.203 50 0 DCAARN COc1ccccc1CN(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000005168178 395682679 /nfs/dbraw/zinc/68/26/79/395682679.db2.gz KEGSYTJLXLLCQZ-UHFFFAOYSA-N 0 0 319.361 0.984 50 0 DCAARN CCOC(=O)C(=O)Nc1cc(C)nn1-c1nc(C)c(C)c(=O)[nH]1 ZINC000007420804 395683428 /nfs/dbraw/zinc/68/34/28/395683428.db2.gz KIHQYMFINAHCJC-UHFFFAOYSA-N 0 0 319.321 0.382 50 0 DCAARN O=C1C2=C(CN1CCO)NC(=O)N[C@@H]2c1ccccc1Cl ZINC000007778820 395683558 /nfs/dbraw/zinc/68/35/58/395683558.db2.gz JTOXYCCJQWQGEL-GFCCVEGCSA-N 0 0 307.737 0.783 50 0 DCAARN CCNC(=O)[C@H](C)NS(=O)(=O)c1cc(OC)ccc1OC ZINC000008130768 395684003 /nfs/dbraw/zinc/68/40/03/395684003.db2.gz GBCWZHNKNNVIGB-VIFPVBQESA-N 0 0 316.379 0.507 50 0 DCAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(N)=O ZINC000008160552 395684151 /nfs/dbraw/zinc/68/41/51/395684151.db2.gz VDCZEFZKFQWHLK-ZDUSSCGKSA-N 0 0 307.350 0.539 50 0 DCAARN CC(=O)Nc1ccc(Sc2nn(C)c(=O)n(C)c2=O)cc1 ZINC000008186279 395684161 /nfs/dbraw/zinc/68/41/61/395684161.db2.gz RLSMLCRXCXMEMN-UHFFFAOYSA-N 0 0 306.347 0.589 50 0 DCAARN CC[C@H](C)NC(=O)Cn1nnn(-c2ccccc2Cl)c1=O ZINC000029950391 395701000 /nfs/dbraw/zinc/70/10/00/395701000.db2.gz HGVIEAZPIXFXDH-VIFPVBQESA-N 0 0 309.757 0.997 50 0 DCAARN Cn1cnc(S(=O)(=O)N[C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000085479351 395701443 /nfs/dbraw/zinc/70/14/43/395701443.db2.gz SORRMSSVDHHYSR-LLVKDONJSA-N 0 0 315.395 0.427 50 0 DCAARN C[C@H](O)CN1CC2=C(C1=O)[C@H](c1ccc(O)cc1)NC(=O)N2C ZINC000036678966 395723767 /nfs/dbraw/zinc/72/37/67/395723767.db2.gz YFSXWBCDCBYPRM-XPTSAGLGSA-N 0 0 317.345 0.565 50 0 DCAARN CCOC(=O)N1CCC[C@H](C(=O)N2CCC(C(N)=O)CC2)C1 ZINC000030554500 395702929 /nfs/dbraw/zinc/70/29/29/395702929.db2.gz VGPFQZABXNLULX-LBPRGKRZSA-N 0 0 311.382 0.579 50 0 DCAARN NC(=O)Cc1csc(NC(=O)c2cccc(C(N)=O)c2)n1 ZINC000030581248 395703011 /nfs/dbraw/zinc/70/30/11/395703011.db2.gz HNZUCBRHDKOBFQ-UHFFFAOYSA-N 0 0 304.331 0.522 50 0 DCAARN COC(=O)CNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C ZINC000030693355 395704033 /nfs/dbraw/zinc/70/40/33/395704033.db2.gz IGBWRVUUFHLTNC-CYBMUJFWSA-N 0 0 310.325 0.869 50 0 DCAARN OCCN1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1 ZINC000030824949 395704309 /nfs/dbraw/zinc/70/43/09/395704309.db2.gz DRYHYGMONIQANB-UHFFFAOYSA-N 0 0 306.341 0.986 50 0 DCAARN COC(=O)c1ccccc1NC(=O)CSc1cnnc(=O)[nH]1 ZINC000031773580 395708027 /nfs/dbraw/zinc/70/80/27/395708027.db2.gz LFRICBKKWLHNOB-UHFFFAOYSA-N 0 0 320.330 0.682 50 0 DCAARN CCN1C[C@@H](C(=O)N2CCN(c3nccs3)CC2)CC1=O ZINC000032301028 395710290 /nfs/dbraw/zinc/71/02/90/395710290.db2.gz BTOAJRKUTNUGNK-NSHDSACASA-N 0 0 308.407 0.660 50 0 DCAARN Cn1nc(C(=O)NCc2ccccc2Cn2ccnc2)ccc1=O ZINC000032313473 395710470 /nfs/dbraw/zinc/71/04/70/395710470.db2.gz PJYRBJWXGQXXEM-UHFFFAOYSA-N 0 0 323.356 0.955 50 0 DCAARN C[C@@H]1C[C@@H]1CNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000032390182 395710763 /nfs/dbraw/zinc/71/07/63/395710763.db2.gz WRXWFVUPIRNOOL-ZYHUDNBSSA-N 0 0 315.381 0.508 50 0 DCAARN CC(C)n1c(=O)[nH]c2cc(C(=O)N3CCOCC3)ccc2c1=O ZINC000032481555 395711160 /nfs/dbraw/zinc/71/11/60/395711160.db2.gz FEZZXGZPWXDXKX-UHFFFAOYSA-N 0 0 317.345 0.743 50 0 DCAARN C[C@@H]1C[C@@H](OC(=O)c2cccc(NS(C)(=O)=O)c2)C(=O)O1 ZINC000032736392 395712636 /nfs/dbraw/zinc/71/26/36/395712636.db2.gz JGAJWDZBQGHALH-LDYMZIIASA-N 0 0 313.331 0.919 50 0 DCAARN COc1ccc(NC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000032796845 395713717 /nfs/dbraw/zinc/71/37/17/395713717.db2.gz SRSBUJSIYBYKMB-ZDUSSCGKSA-N 0 0 309.366 0.510 50 0 DCAARN Cc1cc(C)n2nc(C(=O)NCCC(=O)OC(C)C)nc2n1 ZINC000032820839 395713787 /nfs/dbraw/zinc/71/37/87/395713787.db2.gz HRPYOWUWWRXUOQ-UHFFFAOYSA-N 0 0 305.338 0.813 50 0 DCAARN CC(C)c1noc(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)n1 ZINC000032905033 395714329 /nfs/dbraw/zinc/71/43/29/395714329.db2.gz WQLPLAJEAOYNCM-GFCCVEGCSA-N 0 0 321.425 0.978 50 0 DCAARN Cc1nc(S(=O)(=O)N2CC[S@@](=O)C(C)(C)C2)cn1C ZINC000089709009 395714353 /nfs/dbraw/zinc/71/43/53/395714353.db2.gz DENMWSXWEAJLSF-SFHVURJKSA-N 0 0 305.425 0.260 50 0 DCAARN O=S(=O)(CCn1cnc2ccccc21)NCc1cc[nH]n1 ZINC000032927612 395714654 /nfs/dbraw/zinc/71/46/54/395714654.db2.gz GFJIMWHQHNSNQF-UHFFFAOYSA-N 0 0 305.363 0.879 50 0 DCAARN O=S(=O)(NCCCn1cncn1)c1cccc2nsnc21 ZINC000032916555 395714667 /nfs/dbraw/zinc/71/46/67/395714667.db2.gz SUQBDQKLXOYWIE-UHFFFAOYSA-N 0 0 324.391 0.651 50 0 DCAARN Cn1ccc(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)n1 ZINC000089756677 395714966 /nfs/dbraw/zinc/71/49/66/395714966.db2.gz RJZQVEDKZBPMEI-CYBMUJFWSA-N 0 0 314.345 0.786 50 0 DCAARN CC(C)[C@H](CNC(=O)N[C@@H](C)Cn1cccn1)N1CCOCC1 ZINC000089791345 395715459 /nfs/dbraw/zinc/71/54/59/395715459.db2.gz POBVHRFGPVJFOH-GJZGRUSLSA-N 0 0 323.441 0.928 50 0 DCAARN CCOC(=O)[C@@H](C)NC(=O)NCC(=O)N1CCc2ccccc21 ZINC000033127805 395716621 /nfs/dbraw/zinc/71/66/21/395716621.db2.gz ICEFIIIXAWYXLC-LLVKDONJSA-N 0 0 319.361 0.827 50 0 DCAARN Cc1oc2ncn(CCC(=O)N3CCOCC3)c(=O)c2c1C ZINC000035378479 395720246 /nfs/dbraw/zinc/72/02/46/395720246.db2.gz PWSAGGVYMHLVAZ-UHFFFAOYSA-N 0 0 305.334 0.855 50 0 DCAARN Cc1nnsc1C(=O)Nc1nn(C)c2c1C[C@H](C)C(=O)N2 ZINC000035597790 395720931 /nfs/dbraw/zinc/72/09/31/395720931.db2.gz KBEXKSZYPXXHBA-YFKPBYRVSA-N 0 0 306.351 0.963 50 0 DCAARN CCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)N(C)C ZINC000027975350 395695545 /nfs/dbraw/zinc/69/55/45/395695545.db2.gz OYQYRYADIZDERJ-LLVKDONJSA-N 0 0 300.380 0.955 50 0 DCAARN O=c1c2ccc(F)cc2ncn1C[C@H](O)CN1CCOCC1 ZINC000028690006 395696276 /nfs/dbraw/zinc/69/62/76/395696276.db2.gz XDTQAWBMDAYGIA-GFCCVEGCSA-N 0 0 307.325 0.229 50 0 DCAARN O=C1CCCN1CCCN1CCO[C@H](CNc2cccnn2)C1 ZINC000084429223 395697329 /nfs/dbraw/zinc/69/73/29/395697329.db2.gz YFSLPNLKDKKUNO-CQSZACIVSA-N 0 0 319.409 0.602 50 0 DCAARN O=C(Cn1cnnc1)N1CC[C@@]2(C1)CCCN(CC1CC1)C2=O ZINC000091476340 395725407 /nfs/dbraw/zinc/72/54/07/395725407.db2.gz XYUKEURRBGZBCK-MRXNPFEDSA-N 0 0 317.393 0.529 50 0 DCAARN COC[C@H](C)NC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000096165559 395746923 /nfs/dbraw/zinc/74/69/23/395746923.db2.gz ULMIMYKDIBXIRS-VIFPVBQESA-N 0 0 301.368 0.799 50 0 DCAARN O=C(Cn1cccn1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000096104285 395744401 /nfs/dbraw/zinc/74/44/01/395744401.db2.gz XRTABFAUWAUUPO-UHFFFAOYSA-N 0 0 323.349 0.707 50 0 DCAARN C/C=C/C=C\C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000096102350 395744438 /nfs/dbraw/zinc/74/44/38/395744438.db2.gz RICRYDUYPCCOKB-LTNWXPLMSA-N 0 0 321.421 0.510 50 0 DCAARN CC(=O)NCCc1nc([C@@H](O)c2ccccc2)nn1CCO ZINC000096137229 395745561 /nfs/dbraw/zinc/74/55/61/395745561.db2.gz PSVIMNHCDFADCA-AWEZNQCLSA-N 0 0 304.350 0.031 50 0 DCAARN O=C(c1ccc(N2CCCC2=O)cc1)N1CCOC[C@H](CO)C1 ZINC000096139879 395746085 /nfs/dbraw/zinc/74/60/85/395746085.db2.gz YAICBIVPWCPBOB-ZDUSSCGKSA-N 0 0 318.373 0.894 50 0 DCAARN CC(=O)N1CCN(C(=O)[C@@H](C)S(=O)(=O)C2CCCC2)CC1 ZINC000096403776 395752826 /nfs/dbraw/zinc/75/28/26/395752826.db2.gz OJFPGIJGCRWIRD-LLVKDONJSA-N 0 0 316.423 0.423 50 0 DCAARN CCc1ccc(CN2CCN(C(=O)Cn3cnnn3)CC2)s1 ZINC000096414531 395752951 /nfs/dbraw/zinc/75/29/51/395752951.db2.gz SXJSHCXFDQKGPK-UHFFFAOYSA-N 0 0 320.422 0.641 50 0 DCAARN O=C(CN1CCN(c2ccccn2)CC1)N[C@@H]1CCCOC1 ZINC000096436387 395753508 /nfs/dbraw/zinc/75/35/08/395753508.db2.gz PBJMPQYXBTUWIS-CQSZACIVSA-N 0 0 304.394 0.499 50 0 DCAARN NC(=O)c1cccc(OCC(=O)N[C@H]2CCc3nccn3C2)c1 ZINC000097197709 395755577 /nfs/dbraw/zinc/75/55/77/395755577.db2.gz UUNHGNZDMLPXDK-LBPRGKRZSA-N 0 0 314.345 0.492 50 0 DCAARN Cc1cn2c(n1)CC[C@H](NC(=O)c1cccc(-n3cnnn3)c1)C2 ZINC000097198107 395755609 /nfs/dbraw/zinc/75/56/09/395755609.db2.gz LFDMRTAHXLOIML-ZDUSSCGKSA-N 0 0 323.360 0.912 50 0 DCAARN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)Cn1cnnn1)C2 ZINC000097199194 395755733 /nfs/dbraw/zinc/75/57/33/395755733.db2.gz GQMFTINYNKRFTJ-SNVBAGLBSA-N 0 0 303.370 0.298 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)CO)c(C)c1 ZINC000097203028 395756073 /nfs/dbraw/zinc/75/60/73/395756073.db2.gz OFFLPZHRUFNHNZ-GFCCVEGCSA-N 0 0 314.407 0.469 50 0 DCAARN COc1cccc(CCNC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000044441038 395756296 /nfs/dbraw/zinc/75/62/96/395756296.db2.gz KWRIHSHEMNENSA-UHFFFAOYSA-N 0 0 317.345 0.282 50 0 DCAARN C[C@H](C(N)=O)N1CCN(CCC(=O)c2ccc(F)cc2)CC1 ZINC000097232031 395756693 /nfs/dbraw/zinc/75/66/93/395756693.db2.gz XAVZTQZKEIWKIQ-GFCCVEGCSA-N 0 0 307.369 0.890 50 0 DCAARN CCS(=O)(=O)CCNC(=O)c1cnc2cccc(C)n2c1=O ZINC000097515219 395758644 /nfs/dbraw/zinc/75/86/44/395758644.db2.gz JZJOQMIUXUOBHU-UHFFFAOYSA-N 0 0 323.374 0.167 50 0 DCAARN O=C(CN1CCN(c2cnccn2)CC1)Nc1nccs1 ZINC000044906724 395760006 /nfs/dbraw/zinc/76/00/06/395760006.db2.gz HUUBFSUWYCWNTK-UHFFFAOYSA-N 0 0 304.379 0.694 50 0 DCAARN O=C([O-])[C@H]1C[NH2+]CCN(Cc2cc(-c3ccccn3)no2)C1 ZINC000097636735 395760024 /nfs/dbraw/zinc/76/00/24/395760024.db2.gz VEXNERXXSWSREK-NSHDSACASA-N 0 0 302.334 0.843 50 0 DCAARN Nc1ccnc(N2CCN(Cc3nccs3)C[C@H](O)C2)n1 ZINC000097756416 395760114 /nfs/dbraw/zinc/76/01/14/395760114.db2.gz PHCGAULAZWCAIS-JTQLQIEISA-N 0 0 306.395 0.198 50 0 DCAARN Cc1nc2cc(CC(=O)N3CC[C@@](C)(O)[C@@H](O)C3)ccc2[nH]1 ZINC000097717225 395760336 /nfs/dbraw/zinc/76/03/36/395760336.db2.gz USLLYFHFWGNLFO-GOEBONIOSA-N 0 0 303.362 0.758 50 0 DCAARN CN(C)C(=O)N1CCC(C(=O)N(C)CCn2cccn2)CC1 ZINC000097730005 395760521 /nfs/dbraw/zinc/76/05/21/395760521.db2.gz IBBJVFOGOLAXIT-UHFFFAOYSA-N 0 0 307.398 0.735 50 0 DCAARN CN1c2ccccc2[C@@H](NC(=O)C(=O)NC2CCCC2)C1=O ZINC000101668176 395766046 /nfs/dbraw/zinc/76/60/46/395766046.db2.gz UYXZBVMGVDMOQC-CYBMUJFWSA-N 0 0 301.346 0.879 50 0 DCAARN CC[NH+]1CCN(c2ncc(N3CCC(C(=O)[O-])CC3)cn2)CC1 ZINC000045796049 395766552 /nfs/dbraw/zinc/76/65/52/395766552.db2.gz DMCGNBAIRHKSKZ-UHFFFAOYSA-N 0 0 319.409 0.920 50 0 DCAARN O=C(CC1=CSC2=NCCN12)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC000102295877 395769496 /nfs/dbraw/zinc/76/94/96/395769496.db2.gz PVSVNVWXCZVPEH-CQSZACIVSA-N 0 0 322.390 0.737 50 0 DCAARN NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000046171602 395772304 /nfs/dbraw/zinc/77/23/04/395772304.db2.gz AMZPPGNUEVEQRQ-NSHDSACASA-N 0 0 310.375 0.508 50 0 DCAARN Cn1c(=O)ccn(CC(=O)N[C@@H]2CCCc3ccccc32)c1=O ZINC000046672994 395779196 /nfs/dbraw/zinc/77/91/96/395779196.db2.gz SQFQDEJWHMTOQA-CQSZACIVSA-N 0 0 313.357 0.741 50 0 DCAARN COc1ccc(OCC(=O)NCC2(C(N)=O)CCOCC2)cc1 ZINC000047930984 395803155 /nfs/dbraw/zinc/80/31/55/395803155.db2.gz RAZRCFNNWBPKHE-UHFFFAOYSA-N 0 0 322.361 0.472 50 0 DCAARN COc1ccc(NC(=O)NCCC(=O)N2CCOCC2)cn1 ZINC000048019439 395806278 /nfs/dbraw/zinc/80/62/78/395806278.db2.gz HKJHOAPLLRHBHP-UHFFFAOYSA-N 0 0 308.338 0.461 50 0 DCAARN C[C@@H](C(=O)NCc1cccnc1-n1cccn1)S(C)(=O)=O ZINC000048115156 395808376 /nfs/dbraw/zinc/80/83/76/395808376.db2.gz KVSKKINFBCJZIJ-JTQLQIEISA-N 0 0 308.363 0.317 50 0 DCAARN CN(C)[C@@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccco1 ZINC000048261379 395811573 /nfs/dbraw/zinc/81/15/73/395811573.db2.gz HCRBONQYZXICIS-QWRGUYRKSA-N 0 0 315.395 0.369 50 0 DCAARN Cc1ccccc1CS(=O)(=O)Cc1nc(N)nc(N(C)C)n1 ZINC000048252003 395811642 /nfs/dbraw/zinc/81/16/42/395811642.db2.gz QSINBOSSQYNTBQ-UHFFFAOYSA-N 0 0 321.406 0.943 50 0 DCAARN O=C1CN(c2ccccc2S(=O)(=O)C(F)(F)F)CCN1 ZINC000048276653 395812163 /nfs/dbraw/zinc/81/21/63/395812163.db2.gz PAJZRBKNVDMHGB-UHFFFAOYSA-N 0 0 308.281 0.916 50 0 DCAARN CC(=O)NCCNC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000048275252 395812446 /nfs/dbraw/zinc/81/24/46/395812446.db2.gz WLRRVLLEKZEREV-JTQLQIEISA-N 0 0 307.350 0.954 50 0 DCAARN CNC(=O)CCNS(=O)(=O)c1cc(C)c(OC)cc1C ZINC000048367214 395813858 /nfs/dbraw/zinc/81/38/58/395813858.db2.gz OPBRTRHDRAZADB-UHFFFAOYSA-N 0 0 300.380 0.726 50 0 DCAARN CNC(=O)[C@H](O)CNS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000225436514 395859738 /nfs/dbraw/zinc/85/97/38/395859738.db2.gz VKSHDLWQECGAAP-CYBMUJFWSA-N 0 0 310.375 0.000 50 0 DCAARN O=C(c1cc2n(n1)CCCO2)N1CC[C@H](Oc2cccnn2)C1 ZINC000225417035 395859846 /nfs/dbraw/zinc/85/98/46/395859846.db2.gz LJPWWGIZJCHOCK-NSHDSACASA-N 0 0 315.333 0.749 50 0 DCAARN COc1ccc(O[C@H]2CCN(C(=O)N3CCNC3=O)C2)nn1 ZINC000225441379 395860084 /nfs/dbraw/zinc/86/00/84/395860084.db2.gz WISCVRFGJALMIQ-VIFPVBQESA-N 0 0 307.310 0.084 50 0 DCAARN Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1CCN(C)CC1 ZINC000050079542 395835865 /nfs/dbraw/zinc/83/58/65/395835865.db2.gz DBDMTXBTFXSTFF-QINSGFPZSA-N 0 0 312.377 0.754 50 0 DCAARN COc1nccnc1O[C@@H]1CCCN(C(=O)N2CCNC2=O)C1 ZINC000225496383 395861479 /nfs/dbraw/zinc/86/14/79/395861479.db2.gz UKCLSMYVVHZUGX-SNVBAGLBSA-N 0 0 321.337 0.474 50 0 DCAARN O=C(c1cc2n(n1)CCCO2)N1CC[C@@H](Oc2cccnn2)C1 ZINC000225417071 395860170 /nfs/dbraw/zinc/86/01/70/395860170.db2.gz LJPWWGIZJCHOCK-LLVKDONJSA-N 0 0 315.333 0.749 50 0 DCAARN Cc1cc(N)n(CC(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)n1 ZINC000219217445 395844524 /nfs/dbraw/zinc/84/45/24/395844524.db2.gz XCDAAGWITQJJMO-KBPBESRZSA-N 0 0 322.409 0.722 50 0 DCAARN O=C(NCCc1nc(O)cc(=O)[nH]1)[C@@H]1CCc2ccccc2O1 ZINC000219870766 395846937 /nfs/dbraw/zinc/84/69/37/395846937.db2.gz KKNHLQYDFGBLNE-LBPRGKRZSA-N 0 0 315.329 0.940 50 0 DCAARN C[C@@]1(C(=O)N2CCN(c3ccc4nccn4n3)CC2)CCCO1 ZINC000220050607 395847176 /nfs/dbraw/zinc/84/71/76/395847176.db2.gz XJPDEQGTTCKCBY-INIZCTEOSA-N 0 0 315.377 0.947 50 0 DCAARN Cc1ccc(OCC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000116835471 395847706 /nfs/dbraw/zinc/84/77/06/395847706.db2.gz LZQLCDHXKSNWKH-GFCCVEGCSA-N 0 0 312.391 0.524 50 0 DCAARN CC(C)N(CC(F)(F)F)C(=O)CN1CCC(C(N)=O)CC1 ZINC000051186101 395848295 /nfs/dbraw/zinc/84/82/95/395848295.db2.gz OHRRGJVYZXFCBE-UHFFFAOYSA-N 0 0 309.332 0.983 50 0 DCAARN CN1C[C@@H](C(=O)N2CCC[C@@H](Oc3cnccn3)C2)CC1=O ZINC000225475519 395860825 /nfs/dbraw/zinc/86/08/25/395860825.db2.gz VEASELGWAUQJGP-NWDGAFQWSA-N 0 0 304.350 0.325 50 0 DCAARN Cc1[nH]c(=O)c(C(=O)N[C@@H]2COCC[C@@H]2OCCO)c(C)c1C ZINC000220357577 395848939 /nfs/dbraw/zinc/84/89/39/395848939.db2.gz ZDEQVRVGYRDTTK-OLZOCXBDSA-N 0 0 324.377 0.196 50 0 DCAARN O=C(c1ccc(=O)[nH]n1)N1CCC[C@@H](Oc2cnccn2)C1 ZINC000225468332 395860935 /nfs/dbraw/zinc/86/09/35/395860935.db2.gz OXLNHBLDBOGSBC-SNVBAGLBSA-N 0 0 301.306 0.244 50 0 DCAARN CNC(=O)CN1CCN(Cc2ccc(Cl)cc2F)CC1=O ZINC000225450169 395861007 /nfs/dbraw/zinc/86/10/07/395861007.db2.gz MHERFXIICUFANB-UHFFFAOYSA-N 0 0 313.760 0.869 50 0 DCAARN O=C(Cn1nccn1)N[C@@H]1CCOC[C@H]1OCc1ccccc1 ZINC000222494237 395852587 /nfs/dbraw/zinc/85/25/87/395852587.db2.gz FMKMIMOCWRZQJK-HUUCEWRRSA-N 0 0 316.361 0.769 50 0 DCAARN CC(C)CN1CCN(C(=O)c2cc(CO)ccn2)[C@@H](C)C1=O ZINC000222524107 395852920 /nfs/dbraw/zinc/85/29/20/395852920.db2.gz SGWTXHLIPDMGSB-LBPRGKRZSA-N 0 0 305.378 0.903 50 0 DCAARN CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCc1cccnc1 ZINC000222804834 395853589 /nfs/dbraw/zinc/85/35/89/395853589.db2.gz IFKJHXIYAPAXCZ-SLBVQIDZSA-N 0 0 303.362 0.422 50 0 DCAARN COc1ccc(C2(C(=O)NCc3nc(C(N)=O)no3)CC2)cc1 ZINC000223122077 395854123 /nfs/dbraw/zinc/85/41/23/395854123.db2.gz GOBAKKQOQPXOON-UHFFFAOYSA-N 0 0 316.317 0.525 50 0 DCAARN CN(CC(N)=O)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000051827474 395856129 /nfs/dbraw/zinc/85/61/29/395856129.db2.gz PXFYYTQWWCIVIX-UHFFFAOYSA-N 0 0 307.379 0.349 50 0 DCAARN C[C@H](CNC(=O)NCCNc1ccccn1)N1CCOCC1 ZINC000047500737 395794453 /nfs/dbraw/zinc/79/44/53/395794453.db2.gz IFUYASNJKHRZMS-CYBMUJFWSA-N 0 0 307.398 0.513 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CCO1 ZINC000054214894 395895366 /nfs/dbraw/zinc/89/53/66/395895366.db2.gz NKYNVLSVKAIGEG-TZMCWYRMSA-N 0 0 301.350 0.704 50 0 DCAARN C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CCO1 ZINC000054214898 395895439 /nfs/dbraw/zinc/89/54/39/395895439.db2.gz NKYNVLSVKAIGEG-GXTWGEPZSA-N 0 0 301.350 0.704 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)c2cn3ccccc3n2)CC1 ZINC000054483775 395901168 /nfs/dbraw/zinc/90/11/68/395901168.db2.gz NVEPCXLXYOTCBZ-UHFFFAOYSA-N 0 0 322.390 0.488 50 0 DCAARN Cc1ccccc1N1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 ZINC000054583796 395903175 /nfs/dbraw/zinc/90/31/75/395903175.db2.gz WZKPLEYLKWYUMB-GFCCVEGCSA-N 0 0 316.361 0.242 50 0 DCAARN CC(=O)N1CCC(C(=O)N[C@@H](C(N)=O)c2ccccc2)CC1 ZINC000054691939 395904609 /nfs/dbraw/zinc/90/46/09/395904609.db2.gz FMCRGXTYXRLVTH-CQSZACIVSA-N 0 0 303.362 0.588 50 0 DCAARN CCC[C@H](C)c1nnc(NC(=O)CN2CC(=O)NC2=O)s1 ZINC000055252310 395914609 /nfs/dbraw/zinc/91/46/09/395914609.db2.gz FMVLOTYISKOUOW-ZETCQYMHSA-N 0 0 311.367 0.932 50 0 DCAARN CC(C)N1CCNC(=O)[C@H]1CC(=O)NCCOc1ccccc1 ZINC000055384795 395918161 /nfs/dbraw/zinc/91/81/61/395918161.db2.gz TUEBGZUOZXOUKU-OAHLLOKOSA-N 0 0 319.405 0.781 50 0 DCAARN Cc1noc(C)c1CC(=O)N[C@@H]1CCc2nn(C)c(=O)cc2C1 ZINC000225789221 395863690 /nfs/dbraw/zinc/86/36/90/395863690.db2.gz MOHVRWOXHJSWIF-GFCCVEGCSA-N 0 0 316.361 0.601 50 0 DCAARN Cn1cnc(S(=O)(=O)NC[C@H]2Cc3ccccc3CO2)c1 ZINC000225787042 395863878 /nfs/dbraw/zinc/86/38/78/395863878.db2.gz WMKPQYIDRLHBMT-CYBMUJFWSA-N 0 0 307.375 0.840 50 0 DCAARN COC(=O)COc1ccc(S(=O)(=O)NCCCO)cc1F ZINC000226744713 395867312 /nfs/dbraw/zinc/86/73/12/395867312.db2.gz DNZOMAPBKOLQIG-UHFFFAOYSA-N 0 0 321.326 0.038 50 0 DCAARN C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N(C)CC(N)=O ZINC000052831360 395871197 /nfs/dbraw/zinc/87/11/97/395871197.db2.gz SKAISCYYXPIJNG-LLVKDONJSA-N 0 0 302.378 0.632 50 0 DCAARN NC(=O)[C@H](c1ccccc1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000229496914 395874883 /nfs/dbraw/zinc/87/48/83/395874883.db2.gz VRAWLFBVBURTFU-KGLIPLIRSA-N 0 0 302.378 0.703 50 0 DCAARN O[C@@H](CN1CCO[C@@H](Cn2cncn2)C1)c1ccc(F)cc1F ZINC000229552806 395875374 /nfs/dbraw/zinc/87/53/74/395875374.db2.gz FJYQBIVXOYXEIO-DOMZBBRYSA-N 0 0 324.331 0.991 50 0 DCAARN CCS(=O)(=O)CC(=O)NCCCN1CCc2ccccc2C1 ZINC000053028322 395875400 /nfs/dbraw/zinc/87/54/00/395875400.db2.gz GKSZCVULVGOFPR-UHFFFAOYSA-N 0 0 324.446 0.986 50 0 DCAARN Cc1cnc(CN(C)[C@@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)o1 ZINC000229824940 395876232 /nfs/dbraw/zinc/87/62/32/395876232.db2.gz VYVUGDXFJYNVGB-HUUCEWRRSA-N 0 0 319.409 0.747 50 0 DCAARN O=C(COC1CCCC1)NCCCn1nc2ccccn2c1=O ZINC000053160958 395877695 /nfs/dbraw/zinc/87/76/95/395877695.db2.gz UOIHJNAUZLDEJL-UHFFFAOYSA-N 0 0 318.377 0.962 50 0 DCAARN O=C(CN1CCN(C(=O)Nc2cccnc2)CC1)NC1CC1 ZINC000053251475 395879301 /nfs/dbraw/zinc/87/93/01/395879301.db2.gz KNFVSUGDOOPOBD-UHFFFAOYSA-N 0 0 303.366 0.510 50 0 DCAARN O=C(Cc1ccc(-n2cnnn2)cc1)N1CCO[C@@H]2CCC[C@H]21 ZINC000053385135 395882230 /nfs/dbraw/zinc/88/22/30/395882230.db2.gz ITRUYJZCQLTRQY-HUUCEWRRSA-N 0 0 313.361 0.985 50 0 DCAARN Cc1cnccc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000274410712 395945618 /nfs/dbraw/zinc/94/56/18/395945618.db2.gz ICTXPLMQXKWXJJ-UHFFFAOYSA-N 0 0 311.407 0.791 50 0 DCAARN CC(C)(C)OC(=O)NCCNC(=O)CCNc1ncccn1 ZINC000058341136 395953297 /nfs/dbraw/zinc/95/32/97/395953297.db2.gz VYJDGZUVBXABKT-UHFFFAOYSA-N 0 0 309.370 0.920 50 0 DCAARN O=C(CNC(=O)N1CCSc2ncccc21)N1CCOCC1 ZINC000064816904 395990025 /nfs/dbraw/zinc/99/00/25/395990025.db2.gz WADZMAZSGKMOLN-UHFFFAOYSA-N 0 0 322.390 0.562 50 0 DCAARN COc1ccc(CN2CC[C@H](NS(=O)(=O)N(C)C)C2)cn1 ZINC000065267424 395992013 /nfs/dbraw/zinc/99/20/13/395992013.db2.gz LCJPYCYJBJQDAL-LBPRGKRZSA-N 0 0 314.411 0.061 50 0 DCAARN CCOC(=O)C(=O)Nc1cnn(C)c(=O)c1N1CCCCC1 ZINC000065307197 395992564 /nfs/dbraw/zinc/99/25/64/395992564.db2.gz KDLPOTIQCMFYOZ-UHFFFAOYSA-N 0 0 308.338 0.272 50 0 DCAARN CCOc1ccnc(N2CCN(CC(=O)NC(C)C)CC2)n1 ZINC000065382658 395992777 /nfs/dbraw/zinc/99/27/77/395992777.db2.gz VKCZGFHIHQONQW-UHFFFAOYSA-N 0 0 307.398 0.522 50 0 DCAARN CC(=O)N1CCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CC1 ZINC000065623925 395995058 /nfs/dbraw/zinc/99/50/58/395995058.db2.gz WHIQZWVCHCTLRN-UHFFFAOYSA-N 0 0 318.381 0.543 50 0 DCAARN Cc1ncccc1C(=O)O[C@@H](C)C(=O)NCCN1CCOCC1 ZINC000252499139 396021988 /nfs/dbraw/zinc/02/19/88/396021988.db2.gz RWBMSMQJDJZYDX-ZDUSSCGKSA-N 0 0 321.377 0.384 50 0 DCAARN O=C(Cc1c[nH]cn1)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 ZINC000252536492 396022415 /nfs/dbraw/zinc/02/24/15/396022415.db2.gz IRYHMLYZLVHDEA-CFVMTHIKSA-N 0 0 300.362 0.846 50 0 DCAARN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000253369617 396026120 /nfs/dbraw/zinc/02/61/20/396026120.db2.gz FPZNLTJOYRMHSN-KKUMJFAQSA-N 0 0 310.442 0.179 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@H]1COC ZINC000253405997 396026794 /nfs/dbraw/zinc/02/67/94/396026794.db2.gz IQCHBPDVAPNGFG-DZGCQCFKSA-N 0 0 320.389 0.705 50 0 DCAARN CCCS(=O)(=O)N1C[C@@H](COC)[C@H](c2nc(C)no2)C1 ZINC000253414602 396027747 /nfs/dbraw/zinc/02/77/47/396027747.db2.gz XYESYGMDXRPDTN-WDEREUQCSA-N 0 0 303.384 0.780 50 0 DCAARN Cn1c(=O)[nH]c(=O)c2nc(C[C@@H](O)c3ccco3)c(=O)[nH]c21 ZINC000253536264 396029570 /nfs/dbraw/zinc/02/95/70/396029570.db2.gz OCZOEKZPPNLGBS-SSDOTTSWSA-N 0 0 304.262 0.004 50 0 DCAARN CCc1nccn1CC1(CNC(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1 ZINC000253536670 396030557 /nfs/dbraw/zinc/03/05/57/396030557.db2.gz KCNNOQVQFVYDLF-UHFFFAOYSA-N 0 0 317.349 0.857 50 0 DCAARN COC(=O)C1=CNC(=O)C([C@H](CC(N)=O)c2cnn(C)c2)C1=O ZINC000253623703 396031181 /nfs/dbraw/zinc/03/11/81/396031181.db2.gz IDAYWFYHPJKGGL-MRVPVSSYSA-N 0 0 320.305 0.020 50 0 DCAARN CCCn1[nH]ccc1=NC(=O)CN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000254498567 396031531 /nfs/dbraw/zinc/03/15/31/396031531.db2.gz DCGKJTGVDCTDSW-UONOGXRCSA-N 0 0 323.441 0.040 50 0 DCAARN CC(C)C1=NO[C@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000067755839 396032587 /nfs/dbraw/zinc/03/25/87/396032587.db2.gz JCVOBINDLPZRRX-LBPRGKRZSA-N 0 0 317.411 0.328 50 0 DCAARN C[C@H](C(=O)NCC(N)=O)n1cc(COc2ccccc2)nn1 ZINC000257173069 396033988 /nfs/dbraw/zinc/03/39/88/396033988.db2.gz BZDJGDAHHGUKSU-SNVBAGLBSA-N 0 0 303.322 0.020 50 0 DCAARN C[N@@H+]1CCN(C(=O)Cc2ccc(O)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000067805869 396033981 /nfs/dbraw/zinc/03/39/81/396033981.db2.gz YAHTYDSGLXZUQG-NSHDSACASA-N 0 0 312.753 0.815 50 0 DCAARN CC(=O)N[C@@H]1CN(C(=O)CCCc2ccccc2)C[C@H]1CO ZINC000257175667 396034056 /nfs/dbraw/zinc/03/40/56/396034056.db2.gz QKLUXFYOTQJXHV-JKSUJKDBSA-N 0 0 304.390 0.965 50 0 DCAARN Cc1nc(N)nc(C)c1Cc1nc(CN2CCN(C)CC2)no1 ZINC000067821998 396034698 /nfs/dbraw/zinc/03/46/98/396034698.db2.gz LQNBKYCEKKENCS-UHFFFAOYSA-N 0 0 317.397 0.397 50 0 DCAARN COC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1C(N)=O ZINC000257190391 396035239 /nfs/dbraw/zinc/03/52/39/396035239.db2.gz OQQGAQAKLPBRLV-WDEREUQCSA-N 0 0 306.318 0.235 50 0 DCAARN CN(CCNC(=O)c1cccc(-c2nc[nH]n2)c1)S(C)(=O)=O ZINC000067840279 396035349 /nfs/dbraw/zinc/03/53/49/396035349.db2.gz QPTQEWWRWCQWEH-UHFFFAOYSA-N 0 0 323.378 0.093 50 0 DCAARN Cc1ncccc1C(=O)N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1CO ZINC000257196534 396035923 /nfs/dbraw/zinc/03/59/23/396035923.db2.gz YJKNABGNZOWOHG-XJKSGUPXSA-N 0 0 319.405 0.592 50 0 DCAARN CCn1c(=O)[nH]nc1[C@@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000067909355 396038647 /nfs/dbraw/zinc/03/86/47/396038647.db2.gz KGLVCHGQNZDFGF-SECBINFHSA-N 0 0 314.353 0.642 50 0 DCAARN C[C@@H](NC(=O)c1cc(COc2cccc(F)c2)n[nH]1)C(N)=O ZINC000067909311 396038813 /nfs/dbraw/zinc/03/88/13/396038813.db2.gz QPXUWUPQPWKBRW-MRVPVSSYSA-N 0 0 306.297 0.731 50 0 DCAARN CCS(=O)(=O)CCNC(=O)c1ccc(-n2cnnc2)cc1 ZINC000068220454 396049947 /nfs/dbraw/zinc/04/99/47/396049947.db2.gz VOPNNTUREHVBIZ-UHFFFAOYSA-N 0 0 308.363 0.432 50 0 DCAARN Cn1ccsc1=NC(=O)Cn1c(=O)cnc2ccccc21 ZINC000250615559 396015121 /nfs/dbraw/zinc/01/51/21/396015121.db2.gz CSLGOXJHEDLNIC-UHFFFAOYSA-N 0 0 300.343 0.924 50 0 DCAARN CCS(=O)(=O)N1CCC(C(=O)N=c2sccn2C)CC1 ZINC000252458459 396020065 /nfs/dbraw/zinc/02/00/65/396020065.db2.gz JCWKNKZPFGYQMP-UHFFFAOYSA-N 0 0 317.436 0.576 50 0 DCAARN CS(=O)(=O)N1CCN(Cc2cc(-c3ccncc3)no2)CC1 ZINC000252482260 396020101 /nfs/dbraw/zinc/02/01/01/396020101.db2.gz DBUPJRPLEOGPHB-UHFFFAOYSA-N 0 0 322.390 0.814 50 0 DCAARN Cc1nnc(CNC(=O)c2ccnc(O[C@@H]3CCOC3)c2)o1 ZINC000252485354 396020817 /nfs/dbraw/zinc/02/08/17/396020817.db2.gz GSAIHTMZUWTHGN-LLVKDONJSA-N 0 0 304.306 0.871 50 0 DCAARN COCc1nnc(NC(=O)CN2CCCO[C@H](C)C2)s1 ZINC000252495414 396021471 /nfs/dbraw/zinc/02/14/71/396021471.db2.gz OPYIEEQFZNKZGG-SECBINFHSA-N 0 0 300.384 0.734 50 0 DCAARN CCOCCN1CCN([C@@H](C)C(=O)Nc2cc(C)on2)CC1 ZINC000069656112 396086296 /nfs/dbraw/zinc/08/62/96/396086296.db2.gz WZTLUTIEYYEAKU-ZDUSSCGKSA-N 0 0 310.398 0.964 50 0 DCAARN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1Cn1cccn1 ZINC000069742177 396089738 /nfs/dbraw/zinc/08/97/38/396089738.db2.gz RPYGDAZKECNSGC-CHWSQXEVSA-N 0 0 308.407 0.796 50 0 DCAARN CCOc1ccnc(N2CCN(Cc3nccn3C)CC2)n1 ZINC000069778797 396090367 /nfs/dbraw/zinc/09/03/67/396090367.db2.gz YOKGMZBWFMSQOM-UHFFFAOYSA-N 0 0 302.382 0.931 50 0 DCAARN O=C(O[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCNC2=O)cc1 ZINC000069778420 396090476 /nfs/dbraw/zinc/09/04/76/396090476.db2.gz QBDOIVIWANFJIW-GFCCVEGCSA-N 0 0 324.358 0.560 50 0 DCAARN COC[C@@](C)(NC(=O)CCc1cc(OC)ccc1OC)C(N)=O ZINC000069814439 396090919 /nfs/dbraw/zinc/09/09/19/396090919.db2.gz QUTRNYUXNDSCCG-MRXNPFEDSA-N 0 0 324.377 0.643 50 0 DCAARN Cn1nc2n(c1=O)CC[C@H](NC(=O)NCc1ccco1)CC2 ZINC000169783295 396091962 /nfs/dbraw/zinc/09/19/62/396091962.db2.gz GDYXYPJQBQLIED-SNVBAGLBSA-N 0 0 305.338 0.379 50 0 DCAARN CO[C@H]1C(=O)N(C2CCN(C(=O)C3CC3)CC2)C12CCOCC2 ZINC000169788239 396092671 /nfs/dbraw/zinc/09/26/71/396092671.db2.gz TUOFBNDQXSABLF-AWEZNQCLSA-N 0 0 322.405 0.794 50 0 DCAARN COCC(=O)N[C@@H]1CCC12CCN(C(=O)C1CCOCC1)CC2 ZINC000169787275 396092682 /nfs/dbraw/zinc/09/26/82/396092682.db2.gz OMRWSYUIKURAOS-CQSZACIVSA-N 0 0 324.421 0.947 50 0 DCAARN c1nnc2ccc(N3CCN(C[C@H]4CCCCO4)CC3)nn12 ZINC000069871073 396093106 /nfs/dbraw/zinc/09/31/06/396093106.db2.gz OUIROYZLAXHMLY-CYBMUJFWSA-N 0 0 302.382 0.815 50 0 DCAARN CC(C)N(C)S(=O)(=O)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000069897446 396093911 /nfs/dbraw/zinc/09/39/11/396093911.db2.gz QWTCDFMPVGLEGN-LLVKDONJSA-N 0 0 321.468 0.473 50 0 DCAARN Cc1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)cn1 ZINC000169793089 396094026 /nfs/dbraw/zinc/09/40/26/396094026.db2.gz DPBIIVPDCNRYDH-YOGCLGLASA-N 0 0 324.406 0.470 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000069948652 396095374 /nfs/dbraw/zinc/09/53/74/396095374.db2.gz BBOSOTUVQJSKAV-OAHLLOKOSA-N 0 0 322.405 0.850 50 0 DCAARN COC(=O)CCNC(=O)c1ccc(C)c(C)c1-n1cnnn1 ZINC000170625445 396096097 /nfs/dbraw/zinc/09/60/97/396096097.db2.gz AOLVECYUOIWBHI-UHFFFAOYSA-N 0 0 303.322 0.572 50 0 DCAARN CCCS(=O)(=O)CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C ZINC000069952007 396096398 /nfs/dbraw/zinc/09/63/98/396096398.db2.gz DQPOPXLRZDIYKQ-QWHCGFSZSA-N 0 0 302.440 0.896 50 0 DCAARN Cc1noc([C@H](C)N2CCN(Cc3cnn(CCO)c3)CC2)n1 ZINC000069950503 396096636 /nfs/dbraw/zinc/09/66/36/396096636.db2.gz LSUVTUHUWRFROC-LBPRGKRZSA-N 0 0 320.397 0.446 50 0 DCAARN CN1N=C(C(=O)N2CCCC[C@H]2Cn2cccn2)CCC1=O ZINC000069971828 396097374 /nfs/dbraw/zinc/09/73/74/396097374.db2.gz NGSIIOXDJSWMLI-LBPRGKRZSA-N 0 0 303.366 0.872 50 0 DCAARN C[C@](O)(CNC(=O)C(=O)NCC(F)(F)F)c1ccccc1 ZINC000070639794 396102825 /nfs/dbraw/zinc/10/28/25/396102825.db2.gz JVQWBOOUTJRFBI-LBPRGKRZSA-N 0 0 304.268 0.689 50 0 DCAARN COC[C@@H](C)NC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000071185335 396111109 /nfs/dbraw/zinc/11/11/09/396111109.db2.gz NCFKIIAREKGSHV-GFCCVEGCSA-N 0 0 321.377 0.895 50 0 DCAARN O=C([O-])[C@H](CC(=O)Nc1cccc(O)c1)C[NH+]1CCOCC1 ZINC000071283531 396111551 /nfs/dbraw/zinc/11/15/51/396111551.db2.gz SKKJEUBIZISPFK-LLVKDONJSA-N 0 0 308.334 0.754 50 0 DCAARN Cc1nc2[nH]cnn2c(=O)c1CCC(=O)Nc1nncs1 ZINC000071284110 396111635 /nfs/dbraw/zinc/11/16/35/396111635.db2.gz ISFZIETZOWEHBQ-UHFFFAOYSA-N 0 0 305.323 0.149 50 0 DCAARN CCn1c(CC2CCN(Cc3nccn3C)CC2)n[nH]c1=O ZINC000071552099 396114122 /nfs/dbraw/zinc/11/41/22/396114122.db2.gz BPISPLMWSGGWDD-UHFFFAOYSA-N 0 0 304.398 0.780 50 0 DCAARN CCO[C@@H]1C[C@@H]1C(=O)N1CCN(c2nccc(OC)n2)CC1 ZINC000071819947 396116159 /nfs/dbraw/zinc/11/61/59/396116159.db2.gz LIVXEFXIURBVLD-NWDGAFQWSA-N 0 0 306.366 0.559 50 0 DCAARN CC(C)c1noc(CN2CCN(C(=O)c3cnn(C)c3)CC2)n1 ZINC000071839653 396118922 /nfs/dbraw/zinc/11/89/22/396118922.db2.gz JAOLQOFRRVHCHX-UHFFFAOYSA-N 0 0 318.381 0.885 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)COCCc2ccccc2)CC1 ZINC000071871428 396120492 /nfs/dbraw/zinc/12/04/92/396120492.db2.gz YQZFKJUVODREQH-HNNXBMFYSA-N 0 0 306.406 0.771 50 0 DCAARN O=C(CN1CCOCC1)Nc1ccc(N[C@H]2CCOC2=O)cc1 ZINC000071902414 396124213 /nfs/dbraw/zinc/12/42/13/396124213.db2.gz DOXISPVXNDXHTP-AWEZNQCLSA-N 0 0 319.361 0.685 50 0 DCAARN CC(C)COC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O ZINC000071921345 396125421 /nfs/dbraw/zinc/12/54/21/396125421.db2.gz DGYOYLIWRAASPZ-ONGXEEELSA-N 0 0 321.420 0.975 50 0 DCAARN CC(C)COC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@H](C)O ZINC000071921344 396125654 /nfs/dbraw/zinc/12/56/54/396125654.db2.gz DGYOYLIWRAASPZ-GXSJLCMTSA-N 0 0 321.420 0.975 50 0 DCAARN CCN1C(=O)c2ccc(C(=O)N[C@H]3C[C@H]3C)cc2S1(=O)=O ZINC000072094991 396126884 /nfs/dbraw/zinc/12/68/84/396126884.db2.gz ZYMORFICCZODQH-KCJUWKMLSA-N 0 0 308.359 0.989 50 0 DCAARN CCN1C(=O)c2ccc(C(=O)N[C@@H]3C[C@@H]3C)cc2S1(=O)=O ZINC000072094988 396127026 /nfs/dbraw/zinc/12/70/26/396127026.db2.gz ZYMORFICCZODQH-GZMMTYOYSA-N 0 0 308.359 0.989 50 0 DCAARN CC(C)n1cnnc1[C@H](C)NC(=O)c1cn2c(n1)CNCC2 ZINC000072138996 396127487 /nfs/dbraw/zinc/12/74/87/396127487.db2.gz WPHKYEVBPYQZRH-JTQLQIEISA-N 0 0 303.370 0.650 50 0 DCAARN COc1ncccc1C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000072269399 396129011 /nfs/dbraw/zinc/12/90/11/396129011.db2.gz VFHDRHREPOGCFA-KBPBESRZSA-N 0 0 305.378 0.761 50 0 DCAARN O=S(=O)(CCNCc1cc(F)ccc1F)N1CCOCC1 ZINC000072275601 396129015 /nfs/dbraw/zinc/12/90/15/396129015.db2.gz GJIJKLDFUANTQB-UHFFFAOYSA-N 0 0 320.361 0.716 50 0 DCAARN CCn1ccnc1CN1CCN(C[C@H]2CN(C)CCO2)CC1 ZINC000072279888 396129226 /nfs/dbraw/zinc/12/92/26/396129226.db2.gz NPTCDKCRTPUZGW-OAHLLOKOSA-N 0 0 307.442 0.351 50 0 DCAARN CNC(=O)NC(=O)CN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000069379249 396076605 /nfs/dbraw/zinc/07/66/05/396076605.db2.gz FMQUBUXYXSKIGO-UHFFFAOYSA-N 0 0 324.425 0.557 50 0 DCAARN Cc1nc(S(=O)(=O)NCCC(=O)NCCC(C)C)cn1C ZINC000069515241 396081445 /nfs/dbraw/zinc/08/14/45/396081445.db2.gz GJAKYGXDHFZKAT-UHFFFAOYSA-N 0 0 316.427 0.559 50 0 DCAARN COC(=O)CNC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000069527560 396081991 /nfs/dbraw/zinc/08/19/91/396081991.db2.gz XDTFXSQLKZBTKY-GFCCVEGCSA-N 0 0 305.334 0.972 50 0 DCAARN Cc1nc(C)n(C[C@@H]2CCCCN2CCS(C)(=O)=O)n1 ZINC000069597856 396084338 /nfs/dbraw/zinc/08/43/38/396084338.db2.gz ASOSZLBHUIKLJV-ZDUSSCGKSA-N 0 0 300.428 0.794 50 0 DCAARN COC(=O)[C@@H](NC(=O)CNC(=O)Cc1cccc(F)c1)C(C)C ZINC000069594632 396084605 /nfs/dbraw/zinc/08/46/05/396084605.db2.gz SWPOEGHQVSLWCO-HNNXBMFYSA-N 0 0 324.352 0.798 50 0 DCAARN Cc1cn(CC(=O)OCCOc2ccccc2)c(=O)[nH]c1=O ZINC000075278263 396178864 /nfs/dbraw/zinc/17/88/64/396178864.db2.gz RBCVQOTZWPCBCW-UHFFFAOYSA-N 0 0 304.302 0.467 50 0 DCAARN O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](n2cncn2)C1 ZINC000075583706 396181549 /nfs/dbraw/zinc/18/15/49/396181549.db2.gz KCWZUVUKMMWIMS-VXGBXAGGSA-N 0 0 312.395 0.266 50 0 DCAARN Cn1cnc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1 ZINC000178187268 396191328 /nfs/dbraw/zinc/19/13/28/396191328.db2.gz PJXLBRQKYCAZRB-UHFFFAOYSA-N 0 0 306.366 0.131 50 0 DCAARN NS(=O)(=O)CCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000076020019 396191873 /nfs/dbraw/zinc/19/18/73/396191873.db2.gz UQVNCEPQTHCPNG-SFYZADRCSA-N 0 0 320.773 0.987 50 0 DCAARN NC(=O)[C@H]1CCC[C@@H]1NC(=O)CCS(=O)(=O)C1CCCC1 ZINC000076042298 396191891 /nfs/dbraw/zinc/19/18/91/396191891.db2.gz QCEHHIJMKSNHTM-RYUDHWBXSA-N 0 0 316.423 0.504 50 0 DCAARN Cc1cc(C)n(CCC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)n1 ZINC000076045473 396192578 /nfs/dbraw/zinc/19/25/78/396192578.db2.gz YGYOTZFHBJQCCS-CYBMUJFWSA-N 0 0 318.381 0.917 50 0 DCAARN Cc1nnc([C@H]2CN([C@@H](C)C(=O)Nc3nccs3)CCO2)[nH]1 ZINC000076042583 396192612 /nfs/dbraw/zinc/19/26/12/396192612.db2.gz HUNMWYSYMHERBG-WCBMZHEXSA-N 0 0 322.394 0.970 50 0 DCAARN CCCc1nnc([C@H]2CN(C(=O)CCn3cncn3)CCO2)[nH]1 ZINC000076046026 396192775 /nfs/dbraw/zinc/19/27/75/396192775.db2.gz UWARAWFCVQRNSS-LLVKDONJSA-N 0 0 319.369 0.339 50 0 DCAARN CCc1nc([C@@H]2CCCN2C(=O)CN2CSCC2=O)no1 ZINC000076044064 396193095 /nfs/dbraw/zinc/19/30/95/396193095.db2.gz WUYLLFNPTNHLOF-VIFPVBQESA-N 0 0 310.379 0.828 50 0 DCAARN CCN(CC(C)(C)O)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000076093350 396196489 /nfs/dbraw/zinc/19/64/89/396196489.db2.gz AAWLQNJWEYZKGN-LLVKDONJSA-N 0 0 306.428 0.277 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)NCCCc1ccccn1 ZINC000178604321 396200369 /nfs/dbraw/zinc/20/03/69/396200369.db2.gz AQZIEIRSYJSTGB-ZDUSSCGKSA-N 0 0 311.407 0.554 50 0 DCAARN Cc1nc(Cl)cc(NC[C@](C)(O)CN2CCOCC2)n1 ZINC000078343443 396242594 /nfs/dbraw/zinc/24/25/94/396242594.db2.gz DNXCOZJSKCXPII-ZDUSSCGKSA-N 0 0 300.790 0.934 50 0 DCAARN CCNS(=O)(=O)CCNC(=O)c1ccc(F)c(F)c1F ZINC000078736630 396252703 /nfs/dbraw/zinc/25/27/03/396252703.db2.gz NYXDTBRRDABNBB-UHFFFAOYSA-N 0 0 310.297 0.773 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)CCO1 ZINC000078718401 396252935 /nfs/dbraw/zinc/25/29/35/396252935.db2.gz KNTKULZCYLOMSX-AVGNSLFASA-N 0 0 307.325 0.577 50 0 DCAARN C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000264064673 396253423 /nfs/dbraw/zinc/25/34/23/396253423.db2.gz BKXNVSNLXOQCFR-AAEUAGOBSA-N 0 0 303.370 0.947 50 0 DCAARN O=C(c1ccc(-n2cccn2)c(F)c1)N1CCN(CCO)CC1 ZINC000078783427 396253534 /nfs/dbraw/zinc/25/35/34/396253534.db2.gz NVJUXXWUTIJPDH-UHFFFAOYSA-N 0 0 318.352 0.762 50 0 DCAARN CC(C)c1nnc([C@@H]2CN(C(=O)c3cnccn3)CCO2)[nH]1 ZINC000078889342 396255793 /nfs/dbraw/zinc/25/57/93/396255793.db2.gz HCJKDNYHUGNFTH-NSHDSACASA-N 0 0 302.338 0.932 50 0 DCAARN CC(C)c1nnc([C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)[nH]1 ZINC000078888984 396255949 /nfs/dbraw/zinc/25/59/49/396255949.db2.gz IYAMPXPNEZWRGJ-ZJUUUORDSA-N 0 0 307.354 0.107 50 0 DCAARN CCS(=O)(=O)CCN1CCO[C@@H](CNc2cccnn2)C1 ZINC000078893426 396256829 /nfs/dbraw/zinc/25/68/29/396256829.db2.gz SZHQHWOPWZIUKF-LBPRGKRZSA-N 0 0 314.411 0.024 50 0 DCAARN Cc1cc([C@H]2CCCN(C(=O)CN3CCCNC3=O)C2)[nH]n1 ZINC000078902107 396257845 /nfs/dbraw/zinc/25/78/45/396257845.db2.gz APOFNTHHUDFDRK-LBPRGKRZSA-N 0 0 305.382 0.839 50 0 DCAARN C[C@@H]1C[C@H](C)CN(C(=O)CN(C)C2CCS(=O)(=O)CC2)C1 ZINC000079470050 396264952 /nfs/dbraw/zinc/26/49/52/396264952.db2.gz KJNSYVNGJSSWOS-BETUJISGSA-N 0 0 316.467 1.000 50 0 DCAARN COc1ccccc1CCNC(=O)CN1CCOC[C@H](CO)C1 ZINC000077320821 396218056 /nfs/dbraw/zinc/21/80/56/396218056.db2.gz WGFJBMCRYPNJOW-AWEZNQCLSA-N 0 0 322.405 0.295 50 0 DCAARN CCc1nc(CN2CCC[C@]3(CCC(=O)N(CCO)C3)C2)no1 ZINC000077421721 396221889 /nfs/dbraw/zinc/22/18/89/396221889.db2.gz MQJDZCBUUJLWEU-INIZCTEOSA-N 0 0 322.409 0.829 50 0 DCAARN O=C(Cn1ccnc1)N1CCCC[C@H]1CCN1CCOCC1 ZINC000077520937 396224795 /nfs/dbraw/zinc/22/47/95/396224795.db2.gz LXAMBDWGFDBBFV-HNNXBMFYSA-N 0 0 306.410 0.987 50 0 DCAARN CCc1nc(CN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)no1 ZINC000083830440 396317699 /nfs/dbraw/zinc/31/76/99/396317699.db2.gz CBXIIQHDOHBFGE-CQSZACIVSA-N 0 0 307.354 0.537 50 0 DCAARN O[C@@H](COC[C@@H]1CCCO1)CN1CCn2c(nnc2C2CC2)C1 ZINC000084136767 396318354 /nfs/dbraw/zinc/31/83/54/396318354.db2.gz DNDMKZOMINWGRH-KGLIPLIRSA-N 0 0 322.409 0.528 50 0 DCAARN O[C@H](COC[C@@H]1CCCO1)CN1CCn2c(nnc2C2CC2)C1 ZINC000084136774 396318682 /nfs/dbraw/zinc/31/86/82/396318682.db2.gz DNDMKZOMINWGRH-KBPBESRZSA-N 0 0 322.409 0.528 50 0 DCAARN CN(C)c1noc(CN2Cc3ccccc3C[C@H]2C(N)=O)n1 ZINC000185243671 396323301 /nfs/dbraw/zinc/32/33/01/396323301.db2.gz KSTMWJZAALWDQE-LBPRGKRZSA-N 0 0 301.350 0.548 50 0 DCAARN COCCN1C[C@@H](CNC(=O)c2ccnn2C(C)C)CC1=O ZINC000584890193 396633304 /nfs/dbraw/zinc/63/33/04/396633304.db2.gz OOAQKBVSZWVLDJ-GFCCVEGCSA-N 0 0 308.382 0.689 50 0 DCAARN CN1CCN(CC(=O)N2CCC[C@@H](CN3CCCC3=O)C2)C1=O ZINC000584892230 396633861 /nfs/dbraw/zinc/63/38/61/396633861.db2.gz DZZIPCBUVQOKGD-ZDUSSCGKSA-N 0 0 322.409 0.215 50 0 DCAARN CC(=O)N[C@@H]1CCN(C(=O)NCc2ccc3[nH]cnc3c2)C1 ZINC000584891381 396634046 /nfs/dbraw/zinc/63/40/46/396634046.db2.gz HDIWFZBYPUKEIB-GFCCVEGCSA-N 0 0 301.350 0.983 50 0 DCAARN Cc1cccc2nc(N3C[C@@H](C(N)=O)[C@H](C(N)=O)C3)sc21 ZINC000585141617 396641298 /nfs/dbraw/zinc/64/12/98/396641298.db2.gz YALUABBPDINOQM-RKDXNWHRSA-N 0 0 304.375 0.628 50 0 DCAARN Cn1nc(C(=O)NCc2nccnc2-c2ccncc2)ccc1=O ZINC000585150668 396642252 /nfs/dbraw/zinc/64/22/52/396642252.db2.gz VMMIIQBBHREQKT-UHFFFAOYSA-N 0 0 322.328 0.562 50 0 DCAARN CNC(=O)Cc1noc(CN[C@@H]2CCc3ccccc3OC2)n1 ZINC000374673327 396679100 /nfs/dbraw/zinc/67/91/00/396679100.db2.gz XBUKTUFOPBNOOX-GFCCVEGCSA-N 0 0 316.361 0.842 50 0 DCAARN CC(=O)N1CCN([C@@H]2CN([C@@H]3C[C@H](C)OC3=O)C[C@H]2C)CC1 ZINC000299754216 396714219 /nfs/dbraw/zinc/71/42/19/396714219.db2.gz UFRNUGDXTIYKQJ-AYRXBEOTSA-N 0 0 309.410 0.175 50 0 DCAARN Cc1cc(OC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)nc(C)n1 ZINC000390826666 397301821 /nfs/dbraw/zinc/30/18/21/397301821.db2.gz OIOCXCFIFJAIBI-CYBMUJFWSA-N 0 0 318.377 0.742 50 0 DCAARN COc1ncnc2c1N[C@H](O)c1c(ncnc1N(C)C)S2 ZINC000604419437 397639549 /nfs/dbraw/zinc/63/95/49/397639549.db2.gz PIWFMRXTCOCTSC-SECBINFHSA-N 0 0 306.351 0.909 50 0 DCAARN COCC(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2 ZINC000005077878 292184308 /nfs/dbraw/zinc/18/43/08/292184308.db2.gz TYOPOLCWLSIFLN-UHFFFAOYSA-N 0 0 301.368 0.651 50 0 DCAARN COc1nc(C(=O)NCCNS(C)(=O)=O)cc2ccccc21 ZINC000058245830 286547271 /nfs/dbraw/zinc/54/72/71/286547271.db2.gz GRQJKNSFGJESDE-UHFFFAOYSA-N 0 0 323.374 0.522 50 0 DCAARN O=C(c1ccon1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000329108760 159063382 /nfs/dbraw/zinc/06/33/82/159063382.db2.gz PQTZMOYPGNACSY-QWRGUYRKSA-N 0 0 314.363 0.483 50 0 DCAARN Cc1cc(CN2CCC(N3CCS(=O)(=O)CC3)CC2)no1 ZINC000329263277 159077533 /nfs/dbraw/zinc/07/75/33/159077533.db2.gz DMCFDWDBWZIIFF-UHFFFAOYSA-N 0 0 313.423 0.678 50 0 DCAARN Cn1nncc1S(=O)(=O)NC[C@@H](CO)CC1CCCC1 ZINC000329549599 159101839 /nfs/dbraw/zinc/10/18/39/159101839.db2.gz ABMOBTVQEZNMKB-NSHDSACASA-N 0 0 302.400 0.282 50 0 DCAARN CCN(CC)S(=O)(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000408169295 160051766 /nfs/dbraw/zinc/05/17/66/160051766.db2.gz MRTLANAKDLSSRH-VXGBXAGGSA-N 0 0 305.444 0.810 50 0 DCAARN CC[C@@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)C[C@]2(CCOC2)O1 ZINC000330093399 287203668 /nfs/dbraw/zinc/20/36/68/287203668.db2.gz ZTDUZHAJCMWUKX-MCIONIFRSA-N 0 0 319.423 0.623 50 0 DCAARN CCN1N=C(C)Cn2c3c(nc21)n(C)c(=O)n(CC(C)C)c3=O ZINC000010332920 415149848 /nfs/dbraw/zinc/14/98/48/415149848.db2.gz DYRZFXRQHIFYLM-UHFFFAOYSA-N 0 0 318.381 0.769 50 0 DCAARN Cc1nn2cc(CNC(=O)[C@@H](C)Cn3cncn3)nc2s1 ZINC000020540388 415154000 /nfs/dbraw/zinc/15/40/00/415154000.db2.gz GCSSSQCRTOURLF-QMMMGPOBSA-N 0 0 305.367 0.643 50 0 DCAARN CCC[C@@H](C)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000018185110 415154367 /nfs/dbraw/zinc/15/43/67/415154367.db2.gz GZFJXGGVNPMRTE-SNVBAGLBSA-N 0 0 321.381 0.129 50 0 DCAARN Cc1nnc(COC(=O)Cn2cnc3sccc3c2=O)o1 ZINC000025071263 415159109 /nfs/dbraw/zinc/15/91/09/415159109.db2.gz YRKGKDMITGVZSM-UHFFFAOYSA-N 0 0 306.303 0.893 50 0 DCAARN C[C@H](CNC(=O)Cn1cccnc1=O)N1CCc2ccccc21 ZINC000025140530 415159212 /nfs/dbraw/zinc/15/92/12/415159212.db2.gz NVTJLWULFNUCTG-CYBMUJFWSA-N 0 0 312.373 0.811 50 0 DCAARN C[C@H](O)Cn1c2c(nc1N1CCC(C)CC1)n(C)c(=O)[nH]c2=O ZINC000007425537 415139602 /nfs/dbraw/zinc/13/96/02/415139602.db2.gz UMXVCPKHBMDVJD-JTQLQIEISA-N 0 0 321.381 0.040 50 0 DCAARN CCCn1c(N)c(C(=O)CN2C[C@@H](C)C[C@H](C)C2)c(=O)[nH]c1=O ZINC000007811122 415144220 /nfs/dbraw/zinc/14/42/20/415144220.db2.gz FKBOQHZGVFLNOH-QWRGUYRKSA-N 0 0 322.409 0.689 50 0 DCAARN O=C(NCCO)C1CCN(c2nc(Cl)nc3nc[nH]c32)CC1 ZINC000009421371 415145495 /nfs/dbraw/zinc/14/54/95/415145495.db2.gz QCHJPTFXXWUCTC-UHFFFAOYSA-N 0 0 324.772 0.331 50 0 DCAARN O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)NC1CC1 ZINC000009876035 415145520 /nfs/dbraw/zinc/14/55/20/415145520.db2.gz IMPFXNDTWWDFSQ-UHFFFAOYSA-N 0 0 320.368 0.936 50 0 DCAARN Cn1c(=O)c2c(NC(=O)c3ccco3)ccnc2n(C)c1=O ZINC000013011031 415147764 /nfs/dbraw/zinc/14/77/64/415147764.db2.gz UFNRQUNMMJZPNO-UHFFFAOYSA-N 0 0 300.274 0.478 50 0 DCAARN O=C(Cn1cccn1)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000011713683 415148339 /nfs/dbraw/zinc/14/83/39/415148339.db2.gz ZTNBFFIHAGSEDG-CQSZACIVSA-N 0 0 316.336 0.940 50 0 DCAARN Cn1ncc2c1ncn(Cc1nnnn1-c1ccccc1)c2=O ZINC000026665581 415169343 /nfs/dbraw/zinc/16/93/43/415169343.db2.gz PQLPOZKWCFZDND-UHFFFAOYSA-N 0 0 308.305 0.154 50 0 DCAARN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCCC1 ZINC000027271051 415170954 /nfs/dbraw/zinc/17/09/54/415170954.db2.gz JCCOKPYTDYEXIS-UHFFFAOYSA-N 0 0 309.391 0.319 50 0 DCAARN CCn1cc([C@@H]2CS(=O)(=O)CCN2Cc2ccn(C)n2)cn1 ZINC000331672180 415181539 /nfs/dbraw/zinc/18/15/39/415181539.db2.gz UTQQTCISMVRBPM-AWEZNQCLSA-N 0 0 323.422 0.608 50 0 DCAARN COCCCCNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000040536121 415197324 /nfs/dbraw/zinc/19/73/24/415197324.db2.gz RPCTXGCNHMVHNG-CQSZACIVSA-N 0 0 318.377 0.649 50 0 DCAARN O=C(N[C@H]1CCCCNC1=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000040521502 415198072 /nfs/dbraw/zinc/19/80/72/415198072.db2.gz QAHOUWSBMDCECS-STQMWFEESA-N 0 0 302.330 0.553 50 0 DCAARN CC(C)[C@H](CNC(=O)N(C)Cc1cnn(C)c1)N1CCOCC1 ZINC000044910196 415232565 /nfs/dbraw/zinc/23/25/65/415232565.db2.gz IHPMEXZFQRPZQV-HNNXBMFYSA-N 0 0 323.441 0.918 50 0 DCAARN O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1ccccn1 ZINC000044911476 415232899 /nfs/dbraw/zinc/23/28/99/415232899.db2.gz WFXUIMCVQWSSBG-UKRRQHHQSA-N 0 0 305.378 0.549 50 0 DCAARN Cc1cc(C)n2ncc(C(=O)N[C@H](C)CN3CCOCC3)c2n1 ZINC000044943364 415234079 /nfs/dbraw/zinc/23/40/79/415234079.db2.gz IEPURQHGQHKRAN-GFCCVEGCSA-N 0 0 317.393 0.797 50 0 DCAARN Cc1cc(CN2CCN(S(=O)(=O)N(C)C(C)C)CC2)on1 ZINC000044937269 415235318 /nfs/dbraw/zinc/23/53/18/415235318.db2.gz ANHXQCBJJGYTPV-UHFFFAOYSA-N 0 0 316.427 0.686 50 0 DCAARN Cc1cc(C)n2nc(C(=O)N[C@H](C)CN3CCOCC3)nc2n1 ZINC000044943505 415235340 /nfs/dbraw/zinc/23/53/40/415235340.db2.gz NOALOTFFIAHWSR-LLVKDONJSA-N 0 0 318.381 0.192 50 0 DCAARN C[C@H]1CCC[C@H](C)N1C(=O)CS(=O)(=O)c1nncn1C ZINC000044947151 415235437 /nfs/dbraw/zinc/23/54/37/415235437.db2.gz DYEFBKRZYBWOHB-UWVGGRQHSA-N 0 0 300.384 0.378 50 0 DCAARN COC[C@H](C)NC(=O)CS(=O)(=O)c1ccc(OC)cc1 ZINC000044947827 415236003 /nfs/dbraw/zinc/23/60/03/415236003.db2.gz AJGVPLYXKXYLET-JTQLQIEISA-N 0 0 301.364 0.620 50 0 DCAARN Cc1cc(C)n(C[C@H](C)CNC(=O)NCCN2CCOCC2)n1 ZINC000044946695 415236199 /nfs/dbraw/zinc/23/61/99/415236199.db2.gz UYXRPSZRVPHSFV-CYBMUJFWSA-N 0 0 323.441 0.767 50 0 DCAARN Cn1cc(CCNC(=O)N2CCN(c3nccs3)CC2)cn1 ZINC000044971150 415238432 /nfs/dbraw/zinc/23/84/32/415238432.db2.gz XNBSYWJSTLUIFD-UHFFFAOYSA-N 0 0 320.422 0.951 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)NC[C@H](c1ccco1)N(C)C ZINC000044949303 415240320 /nfs/dbraw/zinc/24/03/20/415240320.db2.gz CBLDOLYUEWSAHL-UONOGXRCSA-N 0 0 324.425 0.902 50 0 DCAARN C[C@H](C(=O)N1CCN(Cc2ccco2)CC1)S(C)(=O)=O ZINC000044949347 415240453 /nfs/dbraw/zinc/24/04/53/415240453.db2.gz GUUYNOWTERPFFA-LLVKDONJSA-N 0 0 300.380 0.357 50 0 DCAARN C[C@@H](CNC(=O)NCCc1cnn(C)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000044971165 415240860 /nfs/dbraw/zinc/24/08/60/415240860.db2.gz ZWOSCXNMWZCCPZ-MELADBBJSA-N 0 0 323.441 0.760 50 0 DCAARN CCCCn1nnnc1CNC(=O)C(=O)NCc1cccs1 ZINC000044980519 415242459 /nfs/dbraw/zinc/24/24/59/415242459.db2.gz HFSZAXUGHQSYEG-UHFFFAOYSA-N 0 0 322.394 0.467 50 0 DCAARN CC(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccccc2)CC1 ZINC000046107566 415255511 /nfs/dbraw/zinc/25/55/11/415255511.db2.gz XOURPEJSKURFJF-UHFFFAOYSA-N 0 0 324.402 0.292 50 0 DCAARN CCCCS(=O)(=O)N[C@H](C)C(=O)N1CCC(OC)CC1 ZINC000046042478 415255603 /nfs/dbraw/zinc/25/56/03/415255603.db2.gz GDOGYBBVCQILJL-LLVKDONJSA-N 0 0 306.428 0.732 50 0 DCAARN C[C@H](OCc1ccccc1)C(=O)NC1CCN(CC(N)=O)CC1 ZINC000046737136 415257906 /nfs/dbraw/zinc/25/79/06/415257906.db2.gz JGMMZCSLMHJXDH-ZDUSSCGKSA-N 0 0 319.405 0.658 50 0 DCAARN COc1cccc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)c1 ZINC000044456967 415221311 /nfs/dbraw/zinc/22/13/11/415221311.db2.gz FPHGAPBCAQCSSZ-SNVBAGLBSA-N 0 0 319.404 0.408 50 0 DCAARN COc1ccc(CC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1F ZINC000044720246 415226040 /nfs/dbraw/zinc/22/60/40/415226040.db2.gz AGOPIRYCBUFGJL-LLVKDONJSA-N 0 0 315.366 0.928 50 0 DCAARN CC[C@@H](C)NC(=O)CN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000044744119 415226418 /nfs/dbraw/zinc/22/64/18/415226418.db2.gz PXSIFIQRZZKYKL-VXGBXAGGSA-N 0 0 309.414 0.971 50 0 DCAARN NC(=O)[C@@H]1CCCCN1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000044871310 415227699 /nfs/dbraw/zinc/22/76/99/415227699.db2.gz LOMBLRFGKPDYKQ-HNNXBMFYSA-N 0 0 314.389 0.963 50 0 DCAARN NC(=O)N1CCC[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)C1 ZINC000044872662 415228044 /nfs/dbraw/zinc/22/80/44/415228044.db2.gz WGZOMKBQFCFJFH-GFCCVEGCSA-N 0 0 319.361 0.865 50 0 DCAARN CN(C)C(=O)C1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000044871649 415228617 /nfs/dbraw/zinc/22/86/17/415228617.db2.gz PCFSNPWTAQZYIV-UHFFFAOYSA-N 0 0 314.393 0.963 50 0 DCAARN CN(C(=O)[C@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 ZINC000044873159 415229109 /nfs/dbraw/zinc/22/91/09/415229109.db2.gz YQMVGHOJJLONAV-GXFFZTMASA-N 0 0 311.359 0.472 50 0 DCAARN COCCn1nc(C(=O)N[C@H](C)c2cccnc2)ccc1=O ZINC000044873549 415229374 /nfs/dbraw/zinc/22/93/74/415229374.db2.gz ZOAAZJIJHVQQIZ-LLVKDONJSA-N 0 0 302.334 0.776 50 0 DCAARN O=C(NC[C@H](O)c1ccc(O)cc1)C(=O)Nc1ccccc1O ZINC000044890675 415229960 /nfs/dbraw/zinc/22/99/60/415229960.db2.gz FJKKIRCYLCCUDW-AWEZNQCLSA-N 0 0 316.313 0.886 50 0 DCAARN Cc1sc2nc(CN3CCOCC3)n(CCO)c(=O)c2c1C ZINC000044911206 415231228 /nfs/dbraw/zinc/23/12/28/415231228.db2.gz MGTFVZIUOOYOGD-UHFFFAOYSA-N 0 0 323.418 0.899 50 0 DCAARN COCCN(CCOC)S(=O)(=O)N(C)Cc1ccncc1 ZINC000048290058 415287015 /nfs/dbraw/zinc/28/70/15/415287015.db2.gz BITURMCDIHFORE-UHFFFAOYSA-N 0 0 317.411 0.353 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)OC12CCCCC2 ZINC000057355714 415338879 /nfs/dbraw/zinc/33/88/79/415338879.db2.gz LFPIVNOBQOCCDV-GHMZBOCLSA-N 0 0 315.391 0.556 50 0 DCAARN COc1ccccc1OCc1cc(C(=O)N[C@@H](C)C(N)=O)[nH]n1 ZINC000067896118 415390999 /nfs/dbraw/zinc/39/09/99/415390999.db2.gz UVWCJHRJSKEGEI-VIFPVBQESA-N 0 0 318.333 0.601 50 0 DCAARN COC(=O)CNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000068717480 415394149 /nfs/dbraw/zinc/39/41/49/415394149.db2.gz IUPQETILXFMZOE-SSDOTTSWSA-N 0 0 312.244 0.439 50 0 DCAARN CN1CCN(S(=O)(=O)N2CCOCC2)Cc2ccccc21 ZINC000069162239 415397670 /nfs/dbraw/zinc/39/76/70/415397670.db2.gz DCGZQLVSYRMHKA-UHFFFAOYSA-N 0 0 311.407 0.515 50 0 DCAARN Cc1cc([C@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)on1 ZINC000071810990 415408607 /nfs/dbraw/zinc/40/86/07/415408607.db2.gz RNSXPCYOFXEBIS-GFCCVEGCSA-N 0 0 304.350 0.718 50 0 DCAARN C[C@@H]1c2nc(N)nc(-c3ccncc3)c2CN1C(=O)c1nc[nH]n1 ZINC000065396650 415358321 /nfs/dbraw/zinc/35/83/21/415358321.db2.gz XASJEZHSBUWAIY-MRVPVSSYSA-N 0 0 322.332 0.956 50 0 DCAARN CC(C)CNC(=O)c1cccc(CN2CCO[C@H](C(N)=O)C2)c1 ZINC000066830921 415366775 /nfs/dbraw/zinc/36/67/75/415366775.db2.gz SXYCHKGZTMABFL-HNNXBMFYSA-N 0 0 319.405 0.759 50 0 DCAARN COc1nc(C)cc(C)c1CNC(=O)[C@H](C)NS(C)(=O)=O ZINC000067180882 415373992 /nfs/dbraw/zinc/37/39/92/415373992.db2.gz HTAYVVBYIQRFHW-JTQLQIEISA-N 0 0 315.395 0.261 50 0 DCAARN CC[C@@H](C)NC(=O)Cn1c(=O)cc(COC)nc1N1CCCC1 ZINC000067256861 415374890 /nfs/dbraw/zinc/37/48/90/415374890.db2.gz LMSCOZGXZGVFLU-GFCCVEGCSA-N 0 0 322.409 0.905 50 0 DCAARN CNC(=O)CN(C)C(=O)c1cc(COc2cccc(F)c2)[nH]n1 ZINC000067723912 415383418 /nfs/dbraw/zinc/38/34/18/415383418.db2.gz FHTWTIDPCYEWJE-UHFFFAOYSA-N 0 0 320.324 0.946 50 0 DCAARN CC(C)N1CCCn2nc(C(=O)N[C@@H]3CCN(C)C3=O)cc2C1 ZINC000067726952 415386027 /nfs/dbraw/zinc/38/60/27/415386027.db2.gz FTTLDNUFGHGPFM-CYBMUJFWSA-N 0 0 319.409 0.458 50 0 DCAARN C[C@@](O)(CNC(=O)C(=O)NCc1cccs1)c1ccco1 ZINC000075156257 415436001 /nfs/dbraw/zinc/43/60/01/415436001.db2.gz YSCUTBBRMOQMBP-CQSZACIVSA-N 0 0 308.359 0.981 50 0 DCAARN O=C(Nc1nn[nH]n1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000075137145 415437104 /nfs/dbraw/zinc/43/71/04/415437104.db2.gz WCZKCJBWIDQUPC-SECBINFHSA-N 0 0 306.713 0.845 50 0 DCAARN Cc1cc(C(F)(F)F)cc(=O)n1CC(=O)N1CCN(C)CC1 ZINC000095379361 415556565 /nfs/dbraw/zinc/55/65/65/415556565.db2.gz QJNAIDCDMVJOBZ-UHFFFAOYSA-N 0 0 317.311 0.950 50 0 DCAARN COCCn1cnnc1CN(C)c1ncnc2onc(C)c21 ZINC000095379982 415560121 /nfs/dbraw/zinc/56/01/21/415560121.db2.gz IFIKBSVCAMTHSH-UHFFFAOYSA-N 0 0 303.326 0.801 50 0 DCAARN Cc1noc(C)c1CN(C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000095949343 415564312 /nfs/dbraw/zinc/56/43/12/415564312.db2.gz PYKVLNRFQMLIRF-LBPRGKRZSA-N 0 0 308.382 0.447 50 0 DCAARN COC(=O)c1nc(NC(=O)c2ccn3nnnc3c2)sc1C ZINC000095478981 415565112 /nfs/dbraw/zinc/56/51/12/415565112.db2.gz PIRHSSAVWZQAMK-UHFFFAOYSA-N 0 0 318.318 0.928 50 0 DCAARN CCOC(=O)[C@](C)(O)CN1CCN(Cc2ccccn2)CC1 ZINC000095943810 415565453 /nfs/dbraw/zinc/56/54/53/415565453.db2.gz LBELDGAPZDGCNY-MRXNPFEDSA-N 0 0 307.394 0.513 50 0 DCAARN CCCS(=O)(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000095986173 415567650 /nfs/dbraw/zinc/56/76/50/415567650.db2.gz YSCKFCAVFGWODQ-JTQLQIEISA-N 0 0 308.400 0.020 50 0 DCAARN C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H](c2ccccc2)O1 ZINC000106864575 415651628 /nfs/dbraw/zinc/65/16/28/415651628.db2.gz LSMAAKRNNQUPOS-KGYLQXTDSA-N 0 0 317.345 0.573 50 0 DCAARN CCOc1cc(N2CCN(Cc3nc(C)no3)CC2)ncn1 ZINC000097096794 415580906 /nfs/dbraw/zinc/58/09/06/415580906.db2.gz SWUGYSWXFRCCJB-UHFFFAOYSA-N 0 0 304.354 0.889 50 0 DCAARN Cc1nnc2n1C[C@H](NC(=O)c1c(C)c(C)n[nH]c1=O)CC2 ZINC000097199043 415585372 /nfs/dbraw/zinc/58/53/72/415585372.db2.gz VKYLEJPDYLCADT-SNVBAGLBSA-N 0 0 302.338 0.444 50 0 DCAARN Cc1noc([C@@H]2COCCN2CC(=O)NCc2ccco2)n1 ZINC000097109117 415586836 /nfs/dbraw/zinc/58/68/36/415586836.db2.gz MYIZNLMGWJEANC-LBPRGKRZSA-N 0 0 306.322 0.661 50 0 DCAARN O=S(=O)(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000108053999 415675692 /nfs/dbraw/zinc/67/56/92/415675692.db2.gz UJKBANJHWMJPCG-ZBFHGGJFSA-N 0 0 324.446 0.951 50 0 DCAARN CC[C@H](C(=O)N1CCc2c(c(C(N)=O)nn2C)C1)n1cccn1 ZINC000299768798 416065333 /nfs/dbraw/zinc/06/53/33/416065333.db2.gz QFUCPSLCJVGEHK-LLVKDONJSA-N 0 0 316.365 0.252 50 0 DCAARN C[NH+](C)CCN1C(=O)C[C@@](CC(=O)[O-])(c2cccc(F)c2)C1=O ZINC000299772074 416065645 /nfs/dbraw/zinc/06/56/45/416065645.db2.gz YTFRAJLAOHYRQJ-MRXNPFEDSA-N 0 0 322.336 0.859 50 0 DCAARN O=C(NCc1ccno1)C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000299763345 416065743 /nfs/dbraw/zinc/06/57/43/416065743.db2.gz ZJNQZNWSHZSCFC-CYBMUJFWSA-N 0 0 307.350 0.708 50 0 DCAARN Cc1cc(C(=O)N2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)cc(C)n1 ZINC000299768250 416065826 /nfs/dbraw/zinc/06/58/26/416065826.db2.gz JLZDJMIEUFCKCE-HOTGVXAUSA-N 0 0 318.421 0.131 50 0 DCAARN Cc1nc(-c2cccc(C(=O)N[C@@H]3CCN(C)C3=O)c2)nn1C ZINC000299783971 416066655 /nfs/dbraw/zinc/06/66/55/416066655.db2.gz KSGUPPDFDLYIRU-CYBMUJFWSA-N 0 0 313.361 0.751 50 0 DCAARN CCCc1noc([C@@H](C)NC(=O)c2c[nH]nc2-n2cnnn2)n1 ZINC000299784520 416068264 /nfs/dbraw/zinc/06/82/64/416068264.db2.gz OERJQFLHNMSOCE-SSDOTTSWSA-N 0 0 317.313 0.212 50 0 DCAARN CC1(C)SC[C@H](C(=O)N2CCc3c(nc[nH]c3=O)C2)NC1=O ZINC000299800004 416070668 /nfs/dbraw/zinc/07/06/68/416070668.db2.gz XNXZYILTZZRZGC-SNVBAGLBSA-N 0 0 322.390 0.077 50 0 DCAARN O=C(NCCCN1CCNC(=O)C1)Nc1ccc2c[nH]nc2c1 ZINC000299800206 416070783 /nfs/dbraw/zinc/07/07/83/416070783.db2.gz WABICEHDHJYFFQ-UHFFFAOYSA-N 0 0 316.365 0.506 50 0 DCAARN CNC(=O)CN1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000178510681 416164922 /nfs/dbraw/zinc/16/49/22/416164922.db2.gz JAYYBRHPZUTWKU-UHFFFAOYSA-N 0 0 304.394 0.602 50 0 DCAARN CC(C)NC(=O)CN(C)CC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000341828432 416238801 /nfs/dbraw/zinc/23/88/01/416238801.db2.gz KHDCRMZBWJGEBD-INIZCTEOSA-N 0 0 311.426 0.472 50 0 DCAARN C[C@@H]1CNCCN1S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000193355498 416315565 /nfs/dbraw/zinc/31/55/65/416315565.db2.gz JKFYHQWZZXMVFV-LLVKDONJSA-N 0 0 314.411 0.217 50 0 DCAARN C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1c[nH]c(=O)[nH]c1=O ZINC000216222072 416327354 /nfs/dbraw/zinc/32/73/54/416327354.db2.gz FCPOPLMTUAEZQT-QMMMGPOBSA-N 0 0 323.736 0.800 50 0 DCAARN CCOC(=O)Cc1csc(NC(=O)c2cc(=O)[nH]cn2)n1 ZINC000225523609 416327720 /nfs/dbraw/zinc/32/77/20/416327720.db2.gz WAPVDBCUNKBBQY-UHFFFAOYSA-N 0 0 308.319 0.997 50 0 DCAARN O=C1COC(=O)N1[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000225703275 416327723 /nfs/dbraw/zinc/32/77/23/416327723.db2.gz XDTCGMMIEPBHRU-MRVPVSSYSA-N 0 0 316.360 0.490 50 0 DCAARN Cc1cccc(OC[C@@H](O)CN(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000239352619 416329951 /nfs/dbraw/zinc/32/99/51/416329951.db2.gz ACTKNOLLKBLYSD-KBPBESRZSA-N 0 0 313.419 0.854 50 0 DCAARN O=C(CC1OCCCO1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000241653345 416330306 /nfs/dbraw/zinc/33/03/06/416330306.db2.gz PUJNRTZYLCBQNC-GFCCVEGCSA-N 0 0 306.366 0.715 50 0 DCAARN c1nc(N2CCN(C[C@@H]3COc4ccccc4O3)CC2)n[nH]1 ZINC000243932252 416330563 /nfs/dbraw/zinc/33/05/63/416330563.db2.gz BTTOTWKUTGNMMM-GFCCVEGCSA-N 0 0 301.350 0.767 50 0 DCAARN O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1c[nH]c(=O)cn1 ZINC000244763949 416330736 /nfs/dbraw/zinc/33/07/36/416330736.db2.gz OYILBWQKYPWCKO-BHDSKKPTSA-N 0 0 300.318 0.819 50 0 DCAARN CSc1ccc2c(c1)CCN(C(=O)Cn1nnnc1N)C2 ZINC000244734874 416330760 /nfs/dbraw/zinc/33/07/60/416330760.db2.gz NNHNLFNZYSXURG-UHFFFAOYSA-N 0 0 304.379 0.562 50 0 DCAARN CC[C@@H](NC(=O)Cn1[nH]c2ccccc2c1=O)[C@H]1C[C@@H](O)C1 ZINC000244708264 416330891 /nfs/dbraw/zinc/33/08/91/416330891.db2.gz KQJJBOFSLPWDKM-NTZNESFSSA-N 0 0 303.362 0.995 50 0 DCAARN COc1cccc(C(=O)NC2CC(N3CCOCC3)C2)c1O ZINC000585123776 416517855 /nfs/dbraw/zinc/51/78/55/416517855.db2.gz JXGDFEIZWQYXPH-UHFFFAOYSA-N 0 0 306.362 0.994 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2[C@H](C)O)C1 ZINC000585113760 416518240 /nfs/dbraw/zinc/51/82/40/416518240.db2.gz GCQBJJOPOAZIKS-RWMBFGLXSA-N 0 0 318.439 0.420 50 0 DCAARN OC1CN(c2nc(NC3CCOCC3)cc([C@H]3CCOC3)n2)C1 ZINC000426370888 416762489 /nfs/dbraw/zinc/76/24/89/416762489.db2.gz AKVZPVJCYRSRAP-NSHDSACASA-N 0 0 320.393 0.752 50 0 DCAARN Nc1nc(=O)cc(N2CCN(C(=O)CCC(F)(F)F)CC2)[nH]1 ZINC000426409584 416768839 /nfs/dbraw/zinc/76/88/39/416768839.db2.gz ZCBATGNJNHBZRI-UHFFFAOYSA-N 0 0 319.287 0.756 50 0 DCAARN CCNC(=O)c1ccc(NCc2cccnc2-n2cncn2)nc1 ZINC000370089902 416880323 /nfs/dbraw/zinc/88/03/23/416880323.db2.gz OFRLGCQSEVDRGK-UHFFFAOYSA-N 0 0 323.360 1.419 50 0 DCAARN C[C@H](Oc1ccccc1)C(=O)N1CC[C@@H](N2C(=O)CNC2=O)C1 ZINC000575607314 417539737 /nfs/dbraw/zinc/53/97/37/417539737.db2.gz SHZFLOBMTVVMIG-NWDGAFQWSA-N 0 0 317.345 0.607 50 0 DCAARN Cn1cccc(C(=O)NC[C@@H](OCCO)c2cccs2)c1=O ZINC000575607751 417540965 /nfs/dbraw/zinc/54/09/65/417540965.db2.gz JMUGJHGUOPGGHR-GFCCVEGCSA-N 0 0 322.386 0.927 50 0 DCAARN CN(C)S(=O)(=O)N1CCC(CNC(=O)c2ccoc2)CC1 ZINC000575616453 417541537 /nfs/dbraw/zinc/54/15/37/417541537.db2.gz PZPXVUPGGCXBCK-UHFFFAOYSA-N 0 0 315.395 0.528 50 0 DCAARN Cn1cccc(C(=O)NC[C@@H](OCCO)c2ccsc2)c1=O ZINC000575621760 417541617 /nfs/dbraw/zinc/54/16/17/417541617.db2.gz SZAPEFSSEYVXKE-CYBMUJFWSA-N 0 0 322.386 0.927 50 0 DCAARN O=C(Cn1cncn1)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575609668 417541799 /nfs/dbraw/zinc/54/17/99/417541799.db2.gz ZLOWYVSQMLVUSW-UHFFFAOYSA-N 0 0 313.365 0.294 50 0 DCAARN COCC1(S(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)CC1 ZINC000575988908 417569295 /nfs/dbraw/zinc/56/92/95/417569295.db2.gz ROECEMKAXUOFHI-HBNTYKKESA-N 0 0 302.396 0.081 50 0 DCAARN CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2C)C1 ZINC000420732653 262383360 /nfs/dbraw/zinc/38/33/60/262383360.db2.gz LJWNLJBOSWYBSF-SNVBAGLBSA-N 0 0 300.355 0.891 50 0 DCAARN C/C=C/CN1N=C(C)[C@@H](C)n2c3c(nc21)n(C)c(=O)n(C)c3=O ZINC000010328875 273480650 /nfs/dbraw/zinc/48/06/50/273480650.db2.gz RBYJHKGGXVDPKS-VQCYPWCPSA-N 0 0 316.365 0.767 50 0 DCAARN C/C=C/CN1N=C(C)[C@H](C)n2c3c(nc21)n(C)c(=O)n(C)c3=O ZINC000010328880 273481012 /nfs/dbraw/zinc/48/10/12/273481012.db2.gz RBYJHKGGXVDPKS-FGEFZZPRSA-N 0 0 316.365 0.767 50 0 DCAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c2nnc(C)c(=O)n12 ZINC000001016924 276303949 /nfs/dbraw/zinc/30/39/49/276303949.db2.gz DRGPRTSWQHSLPL-UHFFFAOYSA-N 0 0 317.280 0.899 50 0 DCAARN CCOCCN1CCN(CC(=O)Nc2nncs2)C[C@H]1C ZINC000247133591 276322568 /nfs/dbraw/zinc/32/25/68/276322568.db2.gz KMFHJWQVHLJXBE-LLVKDONJSA-N 0 0 313.427 0.519 50 0 DCAARN CC(C)N1CCC[C@@]2(CCN(c3cncc(C(N)=O)n3)C2)C1=O ZINC000091518617 277602430 /nfs/dbraw/zinc/60/24/30/277602430.db2.gz FCYLDEAFIREINK-INIZCTEOSA-N 0 0 317.393 0.803 50 0 DCAARN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000242167651 278108966 /nfs/dbraw/zinc/10/89/66/278108966.db2.gz WYHIIXVIQALZBS-XWIASGKRSA-N 0 0 315.329 0.314 50 0 DCAARN CCNC(=O)[C@@H]1C[C@H](c2ccc(F)cc2)NS(=O)(=O)N1C ZINC000040474705 279492849 /nfs/dbraw/zinc/49/28/49/279492849.db2.gz QCMXKPCKIDVAHK-NEPJUHHUSA-N 0 0 315.370 0.541 50 0 DCAARN CCOC(=O)N1CCCn2nc(C(=O)N3CCOCC3)cc2C1 ZINC000065393390 279573726 /nfs/dbraw/zinc/57/37/26/279573726.db2.gz MJHFAJHAQVQDFF-UHFFFAOYSA-N 0 0 322.365 0.718 50 0 DCAARN O=C1CCCc2c1cnc1nc(N3CCOCC3)[nH]c(=O)c12 ZINC000012409507 280253898 /nfs/dbraw/zinc/25/38/98/280253898.db2.gz FJFFQLJIBQLSSK-UHFFFAOYSA-N 0 0 300.318 0.674 50 0 DCAARN CC1=C(C(=O)OC(C)C)[C@@]2(O)C(=O)c3ccccc3[C@@]2(O)N1 ZINC000013471089 281656732 /nfs/dbraw/zinc/65/67/32/281656732.db2.gz SPEITRFVNOZBRU-CVEARBPZSA-N 0 0 303.314 0.588 50 0 DCAARN CN1C(=O)CO[C@@H](C(=O)NCCO)[C@H]1c1ccc(Cl)cc1 ZINC000072241296 289814291 /nfs/dbraw/zinc/81/42/91/289814291.db2.gz SVTPADNBVXSQMP-CHWSQXEVSA-N 0 0 312.753 0.347 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000069899349 290103392 /nfs/dbraw/zinc/10/33/92/290103392.db2.gz AWKBUITWWKKJDP-UONOGXRCSA-N 0 0 323.437 0.303 50 0 DCAARN Cn1cccc1[C@@H]1COCCN1C(=O)CN1CCCCC1=O ZINC000097144020 294389168 /nfs/dbraw/zinc/38/91/68/294389168.db2.gz MXEMAIGFJBBKDB-AWEZNQCLSA-N 0 0 305.378 0.938 50 0 DCAARN NS(=O)(=O)c1cc(C(=O)NC2CC2)ccc1Br ZINC000031548160 295287035 /nfs/dbraw/zinc/28/70/35/295287035.db2.gz RCFQUTGKGRHKRH-UHFFFAOYSA-N 0 0 319.180 0.989 50 0 DCAARN C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@H](C)N1CCSCC1 ZINC000089904089 298848250 /nfs/dbraw/zinc/84/82/50/298848250.db2.gz VOFUAXTYZQSRBV-MNOVXSKESA-N 0 0 308.469 0.315 50 0 DCAARN Cc1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000154120897 301119040 /nfs/dbraw/zinc/11/90/40/301119040.db2.gz JXSMBUGCHPPXEF-DTORHVGOSA-N 0 0 317.349 0.155 50 0 DCAARN Cc1cc(NC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)no1 ZINC000040490222 301353289 /nfs/dbraw/zinc/35/32/89/301353289.db2.gz AYAYZHWFEUAKPJ-STQMWFEESA-N 0 0 324.381 0.842 50 0 DCAARN Cn1cc([C@H]2Nc3ccccc3C(=O)N2C)c(=O)n(C)c1=O ZINC000032769278 302939961 /nfs/dbraw/zinc/93/99/61/302939961.db2.gz ZDVZTXFDFLTTCR-LBPRGKRZSA-N 0 0 300.318 0.280 50 0 DCAARN O=C(CN1C(=O)c2ccccc2CS1(=O)=O)N1CCCCC1 ZINC000058292959 303602127 /nfs/dbraw/zinc/60/21/27/303602127.db2.gz JMUCZWOZKOGREB-UHFFFAOYSA-N 0 0 322.386 0.985 50 0 DCAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1nccs1 ZINC000004740072 303602139 /nfs/dbraw/zinc/60/21/39/303602139.db2.gz CKCODNUBHFVCSS-UHFFFAOYSA-N 0 0 323.355 0.926 50 0 DCAARN O=S1(=O)CCCN(c2ncc(Br)cn2)CC1 ZINC000072291258 304786969 /nfs/dbraw/zinc/78/69/69/304786969.db2.gz HLYCFQNWSCLRRJ-UHFFFAOYSA-N 0 0 306.185 0.864 50 0 DCAARN COCc1ccccc1Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000000540668 331463597 /nfs/dbraw/zinc/46/35/97/331463597.db2.gz CHFVXNNLTWYPPG-UHFFFAOYSA-N 0 0 314.345 0.628 50 0 DCAARN CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)N(CC(=O)N2CCC2)C1 ZINC000570949529 333142465 /nfs/dbraw/zinc/14/24/65/333142465.db2.gz KFPPRCDJXZLTHI-NEPJUHHUSA-N 0 0 305.382 0.676 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)c1ccccc1-c1nc[nH]n1 ZINC000534589585 334293674 /nfs/dbraw/zinc/29/36/74/334293674.db2.gz QQSCIJJMEOXEBS-GFCCVEGCSA-N 0 0 315.377 0.922 50 0 DCAARN CC[C@H](NC(=O)NCCNS(C)(=O)=O)c1ncccc1C ZINC000534593137 334294996 /nfs/dbraw/zinc/29/49/96/334294996.db2.gz JUTUNXUOYXNODM-NSHDSACASA-N 0 0 314.411 0.690 50 0 DCAARN CO[C@H]1COC[C@@H]1NC(=O)C(C)(C)NC(=O)c1cccs1 ZINC000534653747 334312903 /nfs/dbraw/zinc/31/29/03/334312903.db2.gz LVQNOERZSTUILG-UWVGGRQHSA-N 0 0 312.391 0.787 50 0 DCAARN CC[C@@H](NC(=O)c1ccc2nnnn2c1)c1ncnn1CC ZINC000534660368 334315952 /nfs/dbraw/zinc/31/59/52/334315952.db2.gz LZYIOTMDRGSNJY-SNVBAGLBSA-N 0 0 300.326 0.617 50 0 DCAARN COCCc1noc(CNC(=O)c2n[nH]c3c2CCCC3)n1 ZINC000534666141 334318898 /nfs/dbraw/zinc/31/88/98/334318898.db2.gz VPQMNCFYDJFXLT-UHFFFAOYSA-N 0 0 305.338 0.790 50 0 DCAARN Cc1n[nH]c(CCC(=O)N[C@H]2COC[C@@H]2N2CCOCC2)c1C ZINC000534669253 334319825 /nfs/dbraw/zinc/31/98/25/334319825.db2.gz NOWJGMLXQJHUCM-GJZGRUSLSA-N 0 0 322.409 0.175 50 0 DCAARN CCN1C[C@H](NS(=O)(=O)c2c(C)n[nH]c2C)[C@@H](OC)C1 ZINC000534664034 334323367 /nfs/dbraw/zinc/32/33/67/334323367.db2.gz PYHSBVQWFMUOLI-QWRGUYRKSA-N 0 0 302.400 0.024 50 0 DCAARN Cc1nn(C(C)(C)C)c(=O)n1CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000097235244 337382511 /nfs/dbraw/zinc/38/25/11/337382511.db2.gz XGPKZNRSSLBKMG-PHIMTYICSA-N 0 0 310.398 0.744 50 0 DCAARN CNS(=O)(=O)CCCN1CCOC[C@@H]1c1cccn1C ZINC000131635268 337383210 /nfs/dbraw/zinc/38/32/10/337383210.db2.gz ZESIZSHBMOBYQD-CYBMUJFWSA-N 0 0 301.412 0.338 50 0 DCAARN COC(=O)[C@@H]1C[C@H](O)CN1Cc1cnn(C)c1C(F)(F)F ZINC000158697101 337383449 /nfs/dbraw/zinc/38/34/49/337383449.db2.gz KBNFIHJSYLCNFZ-IUCAKERBSA-N 0 0 307.272 0.547 50 0 DCAARN Cc1cc(C(N)=O)c(NCCN(C)S(C)(=O)=O)nc1C ZINC001704297503 1179964413 /nfs/dbraw/zinc/96/44/13/1179964413.db2.gz BFJCONQORGVTHW-UHFFFAOYSA-N 0 0 300.384 0.101 50 0 DCAARN CN1CCO[C@H](C(=O)N[C@H](C[S@@](C)=O)c2ccccc2)C1 ZINC000245408306 523947892 /nfs/dbraw/zinc/94/78/92/523947892.db2.gz GOTSNOMZBXSYGM-HKZYLEAXSA-N 0 0 310.419 0.553 50 0 DCAARN Cc1cc(N)n(CC(=O)NCCSc2nnc(C)s2)n1 ZINC000214972040 525041015 /nfs/dbraw/zinc/04/10/15/525041015.db2.gz PHJXTIHFKDHYKF-UHFFFAOYSA-N 0 0 312.424 0.842 50 0 DCAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCn2nccc2C1 ZINC000238876591 534873677 /nfs/dbraw/zinc/87/36/77/534873677.db2.gz OEURJOZUDIGARK-UHFFFAOYSA-N 0 0 321.358 0.859 50 0 DCAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H](O)C(N)=O)cc1 ZINC000408515002 526496045 /nfs/dbraw/zinc/49/60/45/526496045.db2.gz DTPWZMGMSDFATK-LLVKDONJSA-N 0 0 323.349 0.610 50 0 DCAARN O=C(c1nnc2n1CCCCC2)N1CCC2(CC1)[C@H](O)C[C@@H]2O ZINC000091255603 526928839 /nfs/dbraw/zinc/92/88/39/526928839.db2.gz JFIAYAQGXKXRHP-TXEJJXNPSA-N 0 0 320.393 0.352 50 0 DCAARN CCS[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000370171299 529210380 /nfs/dbraw/zinc/21/03/80/529210380.db2.gz YDKDAXDSLBTXON-GRYCIOLGSA-N 0 0 315.439 0.946 50 0 DCAARN CCc1ccccc1S(=O)(=O)NCCCCS(N)(=O)=O ZINC000292756935 535973766 /nfs/dbraw/zinc/97/37/66/535973766.db2.gz IMWHJESCEUOEDU-UHFFFAOYSA-N 0 0 320.436 0.596 50 0 DCAARN CCn1cc(CNC(=O)N2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)cn1 ZINC000426656841 536060624 /nfs/dbraw/zinc/06/06/24/536060624.db2.gz CNAQZRLCUMKNIA-CRWXNKLISA-N 0 0 308.382 0.176 50 0 DCAARN CC(=O)N1CCC(NC(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC000084718305 545702900 /nfs/dbraw/zinc/70/29/00/545702900.db2.gz VVNMCINDKRJEOQ-UHFFFAOYSA-N 0 0 303.362 0.604 50 0 DCAARN CC[C@@H]1CN(C(=O)COc2cc(C)on2)C[C@H]1N1CCOCC1 ZINC000084735869 545704702 /nfs/dbraw/zinc/70/47/02/545704702.db2.gz KBBMECRWZCALCI-ZIAGYGMSSA-N 0 0 323.393 0.931 50 0 DCAARN O=C1CCC(=O)N1C1CN(S(=O)(=O)C2CCCCC2)C1 ZINC000206953695 545936687 /nfs/dbraw/zinc/93/66/87/545936687.db2.gz AAEOZNUVZIDJPY-UHFFFAOYSA-N 0 0 300.380 0.482 50 0 DCAARN Cc1nc(CNC(=O)CN2CCC[C@H](O)C2)nc2c1CCCC2 ZINC000215794367 545937502 /nfs/dbraw/zinc/93/75/02/545937502.db2.gz AMPVMGBMQHYPBX-ZDUSSCGKSA-N 0 0 318.421 0.737 50 0 DCAARN Cc1cccc(O[C@@H]2CCN(C(=O)Cn3ncccc3=O)C2)n1 ZINC000238826412 545960566 /nfs/dbraw/zinc/96/05/66/545960566.db2.gz DVYQNSXZFLQRRC-CYBMUJFWSA-N 0 0 314.345 0.627 50 0 DCAARN CCc1nc(CCNC(=O)c2cnc3ccnn3c2C)no1 ZINC000670440492 547091036 /nfs/dbraw/zinc/09/10/36/547091036.db2.gz LWWPIGDVHVTRBU-UHFFFAOYSA-N 0 0 300.322 0.956 50 0 DCAARN O=S(=O)(c1cn[nH]c1)N1CCC(O)(c2ccccn2)CC1 ZINC000670444341 547093618 /nfs/dbraw/zinc/09/36/18/547093618.db2.gz UOIUHNZALKOOPN-UHFFFAOYSA-N 0 0 308.363 0.477 50 0 DCAARN CC1(C)SC[C@@H](C(=O)NCCc2nc(C3CC3)no2)NC1=O ZINC000670446655 547095195 /nfs/dbraw/zinc/09/51/95/547095195.db2.gz JWGQJLDUQVLVTH-VIFPVBQESA-N 0 0 324.406 0.616 50 0 DCAARN CN(CCCCN1CCOCC1)S(=O)(=O)c1cccnc1 ZINC000670450961 547096056 /nfs/dbraw/zinc/09/60/56/547096056.db2.gz IFKFIMMZAMCTGS-UHFFFAOYSA-N 0 0 313.423 0.815 50 0 DCAARN CC(=O)N[C@@H](CCC(N)=O)c1ncnn1Cc1ccccc1 ZINC000670459239 547097909 /nfs/dbraw/zinc/09/79/09/547097909.db2.gz IWSNMWUKCDIWCB-ZDUSSCGKSA-N 0 0 301.350 0.769 50 0 DCAARN CN(C)C(=O)CN1CC[C@H]([N@@H+]2CCOC(C)(C)C2)CCC1=O ZINC000670473405 547101708 /nfs/dbraw/zinc/10/17/08/547101708.db2.gz HYAKDBDLQNNCDK-CYBMUJFWSA-N 0 0 311.426 0.567 50 0 DCAARN Cn1ccnc1COCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000685941246 548747304 /nfs/dbraw/zinc/74/73/04/548747304.db2.gz BBXAZECILMIYKF-ABAIWWIYSA-N 0 0 306.366 0.110 50 0 DCAARN O=C(Cc1ncccc1F)N[C@H]1COC[C@H]1Oc1cn[nH]c1 ZINC000685942997 548748034 /nfs/dbraw/zinc/74/80/34/548748034.db2.gz ZMFGJKRKMRUZSL-QWHCGFSZSA-N 0 0 306.297 0.449 50 0 DCAARN O=C(N[C@@]1(C(F)(F)F)CCOC1)c1ccn2nnnc2c1 ZINC000888092990 661152060 /nfs/dbraw/zinc/15/20/60/661152060.db2.gz UYJDMINWZHFNHN-JTQLQIEISA-N 0 0 301.228 0.576 50 0 DCAARN COC[C@H](O)CNC(=O)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC000888099748 661177236 /nfs/dbraw/zinc/17/72/36/661177236.db2.gz VZAMNXUMGOCNTD-GFCCVEGCSA-N 0 0 306.322 0.707 50 0 DCAARN NC(=O)c1cccc2c1CCN(C(=O)N[C@H]1CC[S@](=O)C1)C2 ZINC000888101598 661180494 /nfs/dbraw/zinc/18/04/94/661180494.db2.gz HCMHLCXEZGHMJQ-SAHAZLINSA-N 0 0 321.402 0.374 50 0 DCAARN Nc1cc(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)n[nH]c1=O ZINC000013139519 658715780 /nfs/dbraw/zinc/71/57/80/658715780.db2.gz RUPRMZOLPZRUEB-UHFFFAOYSA-N 0 0 302.250 0.024 50 0 DCAARN COc1cc(N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)nc(OC)n1 ZINC000023478327 658820818 /nfs/dbraw/zinc/82/08/18/658820818.db2.gz OMLUTUZJCAKUTH-SNVBAGLBSA-N 0 0 317.349 0.961 50 0 DCAARN CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[C@@H](O)C3)cnn2c1 ZINC000067587959 662782019 /nfs/dbraw/zinc/78/20/19/662782019.db2.gz AGBQOFPZRZFYTD-CYBMUJFWSA-N 0 0 317.393 0.778 50 0 DCAARN CCc1nn(C)cc1CN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000179572868 665383652 /nfs/dbraw/zinc/38/36/52/665383652.db2.gz DUTBLIPRNLMEIB-OAHLLOKOSA-N 0 0 306.410 0.806 50 0 DCAARN CC(C)Cn1c(CN2CCC(O)CC2)cnc1S(C)(=O)=O ZINC000012446485 666643491 /nfs/dbraw/zinc/64/34/91/666643491.db2.gz NIAKHYCLGVVXSJ-UHFFFAOYSA-N 0 0 315.439 0.899 50 0 DCAARN Cn1c(=O)cc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH]c1=O ZINC000952987948 685602500 /nfs/dbraw/zinc/60/25/00/685602500.db2.gz ZWLQQWCPVGZPED-UHFFFAOYSA-N 0 0 310.354 0.543 50 0 DCAARN CCNC(=O)[C@H]1CCN(S(=O)(=O)N2CCC(C)(C)CC2)C1 ZINC000952975751 685599696 /nfs/dbraw/zinc/59/96/96/685599696.db2.gz GGOVWKXZVNYXCI-LBPRGKRZSA-N 0 0 317.455 0.811 50 0 DCAARN Cc1nc(CN2CCC[C@H](CNC(=O)c3ccnn3C)C2)no1 ZINC000952973643 685600209 /nfs/dbraw/zinc/60/02/09/685600209.db2.gz RHXGKWHRGRCFGQ-GFCCVEGCSA-N 0 0 318.381 0.754 50 0 DCAARN Cc1nnc(CN2CCC[C@H](CNC(=O)c3cncn3C)C2)o1 ZINC000952980151 685601152 /nfs/dbraw/zinc/60/11/52/685601152.db2.gz VPFBVGVCEIEISI-GFCCVEGCSA-N 0 0 318.381 0.754 50 0 DCAARN CC(C)C(=O)Nc1cccc(C(=O)NCCc2nc(N)n[nH]2)c1 ZINC000952976703 685601174 /nfs/dbraw/zinc/60/11/74/685601174.db2.gz OFZYOHJKOMPUIT-UHFFFAOYSA-N 0 0 316.365 0.954 50 0 DCAARN CCC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cccs3)CCN2C1=O ZINC000014733002 685049004 /nfs/dbraw/zinc/04/90/04/685049004.db2.gz CYYRVUSUYJFWDX-WDEREUQCSA-N 0 0 321.402 0.700 50 0 DCAARN Cn1nnnc1SCC(=O)N[C@H]1COC2(C1)CCCCC2 ZINC000020781425 685052788 /nfs/dbraw/zinc/05/27/88/685052788.db2.gz BUWLGZGHFCHSFL-SNVBAGLBSA-N 0 0 311.411 0.910 50 0 DCAARN O=C(N[C@@H]1CCNC1=O)c1cc(Cn2cnc3ccccc32)n[nH]1 ZINC000067697328 685069180 /nfs/dbraw/zinc/06/91/80/685069180.db2.gz AAABKAGMJXPJGN-GFCCVEGCSA-N 0 0 324.344 0.426 50 0 DCAARN CCc1nn(C)c(Cl)c1CN1CC[N@H+](C)[C@H](C(=O)[O-])C1 ZINC000067787031 685069627 /nfs/dbraw/zinc/06/96/27/685069627.db2.gz WTTIABMURHZMSL-NSHDSACASA-N 0 0 300.790 0.837 50 0 DCAARN Cn1c(=O)cc(C(=O)N2CCC[C@H]2c2ccccn2)n(C)c1=O ZINC000095512800 685111496 /nfs/dbraw/zinc/11/14/96/685111496.db2.gz OMWZYNZGLAOHOB-LBPRGKRZSA-N 0 0 314.345 0.456 50 0 DCAARN O=C(N1C[C@@H]2[C@H](C1)C2(CO)CO)C1(c2ccccc2F)CC1 ZINC001772712947 1157849642 /nfs/dbraw/zinc/84/96/42/1157849642.db2.gz WGVXZEILEHVRGS-BETUJISGSA-N 0 0 305.349 0.917 50 0 DCAARN COc1ccnc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)c1 ZINC001704280022 1179958566 /nfs/dbraw/zinc/95/85/66/1179958566.db2.gz IYFLYQZJLMSPCH-IAQYHMDHSA-N 0 0 314.345 0.556 50 0 DCAARN O=C(CCN1CCOCC1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 ZINC001704278283 1179958824 /nfs/dbraw/zinc/95/88/24/1179958824.db2.gz OPQIVCDXUIPMFL-CVEARBPZSA-N 0 0 319.405 0.166 50 0 DCAARN CCc1[nH]nc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)c1C ZINC001704297319 1179965400 /nfs/dbraw/zinc/96/54/00/1179965400.db2.gz MGUAZFNAZKVNAI-BXUZGUMPSA-N 0 0 315.377 0.746 50 0 DCAARN CCc1cc(N2CC[NH+](CC(=O)[O-])CC2)nc(N2CCCC2)n1 ZINC001704304432 1179966654 /nfs/dbraw/zinc/96/66/54/1179966654.db2.gz RHYQDZMAEKUYRX-UHFFFAOYSA-N 0 0 319.409 0.846 50 0 DCAARN CO[C@@H]1C[C@H](C(=O)NCCCc2csc(N)n2)CC[C@@H]1O ZINC001704311411 1179968843 /nfs/dbraw/zinc/96/88/43/1179968843.db2.gz IMOVNSKHTWWRBF-ADEWGFFLSA-N 0 0 313.423 0.950 50 0 DCAARN Cc1cnc(C)c(N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)n1 ZINC001704312158 1179969513 /nfs/dbraw/zinc/96/95/13/1179969513.db2.gz LYNCEWFTPSAKSM-LSDHHAIUSA-N 0 0 307.394 0.965 50 0 DCAARN C[C@@]1(O)CCOC2(CCN(C(=O)c3ncccc3O)CC2)[C@H]1O ZINC001704312882 1179969997 /nfs/dbraw/zinc/96/99/97/1179969997.db2.gz AOFGPHCTFHMLBV-LSDHHAIUSA-N 0 0 322.361 0.294 50 0 DCAARN Cc1ccc(S(=O)(=O)N2C[C@@H]3COC[C@H](C2)N(C)C3)cc1 ZINC001704332537 1179976255 /nfs/dbraw/zinc/97/62/55/1179976255.db2.gz QULJESPGDWQONC-KGLIPLIRSA-N 0 0 310.419 0.946 50 0 DCAARN CNc1nc(C(=O)N2C[C@@H](Cc3cc(C)n[nH]3)[C@H](O)C2)cs1 ZINC001704338398 1179977104 /nfs/dbraw/zinc/97/71/04/1179977104.db2.gz TWISLYTTZUAJGP-BXKDBHETSA-N 0 0 321.406 0.892 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)CCCc3cn[nH]c3)C[C@@H]2O)[nH]n1 ZINC001704337174 1179977340 /nfs/dbraw/zinc/97/73/40/1179977340.db2.gz XRNKYNOGFDEGPH-HIFRSBDPSA-N 0 0 317.393 0.826 50 0 DCAARN Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704338875 1179977573 /nfs/dbraw/zinc/97/75/73/1179977573.db2.gz IPIDJSVQEMOLGS-IUODEOHRSA-N 0 0 315.377 0.421 50 0 DCAARN CNc1ncc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cn1 ZINC001704343272 1179979975 /nfs/dbraw/zinc/97/99/75/1179979975.db2.gz VQCKBSVDKKUOOX-TZMCWYRMSA-N 0 0 313.361 0.901 50 0 DCAARN Cc1ccc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)c(=O)[nH]1 ZINC001704344196 1179980050 /nfs/dbraw/zinc/98/00/50/1179980050.db2.gz QNRHBJIDHJSRQT-BXUZGUMPSA-N 0 0 314.345 0.561 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3ccc(=O)[nH]c3)C[C@H]2O)on1 ZINC001704343505 1179980471 /nfs/dbraw/zinc/98/04/71/1179980471.db2.gz IIIJVBLBQNFVKD-DGCLKSJQSA-N 0 0 303.318 0.759 50 0 DCAARN Cc1nnc(CN(C)Cc2cc(=O)n3cccc(O)c3n2)o1 ZINC001704354359 1179982999 /nfs/dbraw/zinc/98/29/99/1179982999.db2.gz AFOAHGWHFQRQIZ-UHFFFAOYSA-N 0 0 301.306 0.724 50 0 DCAARN O=C1NCCN(Cc2nc3ncccn3n2)[C@H]1Cc1ccccc1 ZINC001704353496 1179983366 /nfs/dbraw/zinc/98/33/66/1179983366.db2.gz YRXOATYOEPDNQQ-AWEZNQCLSA-N 0 0 322.372 0.667 50 0 DCAARN CO[C@@H]1CCC[C@]12CCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001704358450 1179984852 /nfs/dbraw/zinc/98/48/52/1179984852.db2.gz MWORMQQAGVGCRK-IAQYHMDHSA-N 0 0 309.366 0.346 50 0 DCAARN CN1C[C@H](O)C[C@H]1c1nnc2n1CCN(Cc1ccco1)C2 ZINC000675010962 748026142 /nfs/dbraw/zinc/02/61/42/748026142.db2.gz OHUVXLLKKMFHGO-YPMHNXCESA-N 0 0 303.366 0.624 50 0 DCAARN Cc1nn(C)cc1CN(C)C(=O)[C@@H]1CCCCC2N=NC(=O)N21 ZINC000675012500 748026229 /nfs/dbraw/zinc/02/62/29/748026229.db2.gz MWJOKMPCQXAMIC-LBPRGKRZSA-N 0 0 318.381 0.952 50 0 DCAARN CCOC[C@H](O)Cn1cnc2c(ncn2-c2ccccc2)c1=O ZINC000585137913 748532554 /nfs/dbraw/zinc/53/25/54/748532554.db2.gz AEBQLJPHMLYCLJ-CYBMUJFWSA-N 0 0 314.345 0.980 50 0 DCAARN CC(=O)c1ccc(S(=O)(=O)N2CC(Cn3cncn3)C2)cc1 ZINC000820604424 758151373 /nfs/dbraw/zinc/15/13/73/758151373.db2.gz OOCQYIXZEOYEHB-UHFFFAOYSA-N 0 0 320.374 0.801 50 0 DCAARN CCCn1cc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)cn1 ZINC000823033285 758219214 /nfs/dbraw/zinc/21/92/14/758219214.db2.gz PHIVFSFWMKKQAZ-JTQLQIEISA-N 0 0 300.384 0.192 50 0 DCAARN CCNC(=O)[C@H]1CCN(S(=O)(=O)c2cn(CC)nc2C)C1 ZINC000823123376 758226319 /nfs/dbraw/zinc/22/63/19/758226319.db2.gz RMAHDVDICWRUSI-NSHDSACASA-N 0 0 314.411 0.358 50 0 DCAARN CCn1cc(S(=O)(=O)N2CC[C@@H](CC(=O)NC)C2)c(C)n1 ZINC000823820871 758269747 /nfs/dbraw/zinc/26/97/47/758269747.db2.gz CEBCONHARYGTQP-NSHDSACASA-N 0 0 314.411 0.358 50 0 DCAARN Cc1nc([C@@H](C)NS(=O)(=O)N2CCN(C)CC2)cs1 ZINC000823791248 758275565 /nfs/dbraw/zinc/27/55/65/758275565.db2.gz KSRCOULDHNMXBP-SECBINFHSA-N 0 0 304.441 0.594 50 0 DCAARN COc1cccc(OC[C@@H](O)CNC(=O)c2cncnc2N)c1 ZINC000824785254 758785320 /nfs/dbraw/zinc/78/53/20/758785320.db2.gz RSCJSCBFANPJLO-JTQLQIEISA-N 0 0 318.333 0.237 50 0 DCAARN Nc1nnc(CCNC(=O)N2CC(c3ccncc3)C2)s1 ZINC000827897695 758897928 /nfs/dbraw/zinc/89/79/28/758897928.db2.gz BMBYCARDFOVZDG-UHFFFAOYSA-N 0 0 304.379 0.867 50 0 DCAARN Cc1ccccc1NC(=O)CCNC(=O)c1ccc(=O)n(C)n1 ZINC000828075166 758922362 /nfs/dbraw/zinc/92/23/62/758922362.db2.gz PMDILPLRAOODLD-UHFFFAOYSA-N 0 0 314.345 0.847 50 0 DCAARN O=C(NC[C@@H]1CCCN(Cc2ncc[nH]2)C1)c1cncnc1 ZINC000828202220 758952172 /nfs/dbraw/zinc/95/21/72/758952172.db2.gz JWGVGZXZKSQXJX-LBPRGKRZSA-N 0 0 300.366 0.842 50 0 DCAARN COCCOCc1nc([C@H]2CCCCN2C(=O)COC)no1 ZINC000581795311 760253441 /nfs/dbraw/zinc/25/34/41/760253441.db2.gz WBCNZZHVJGVSOT-LLVKDONJSA-N 0 0 313.354 0.933 50 0 DCAARN C[C@H](OC(=O)c1cnn2ncccc12)C(=O)NCC(F)(F)F ZINC000584908618 766238187 /nfs/dbraw/zinc/23/81/87/766238187.db2.gz LHIYHLYXKBIXGT-ZETCQYMHSA-N 0 0 316.239 0.953 50 0 DCAARN COCC(=O)N1CCN(C)C[C@@H]1c1nnc(C2CCOCC2)[nH]1 ZINC000219620703 766273363 /nfs/dbraw/zinc/27/33/63/766273363.db2.gz VMQHTKYNERFOTA-GFCCVEGCSA-N 0 0 323.397 0.160 50 0 DCAARN CCCC[C@@](C)(CO)NC(=O)[C@H](CC(=O)OC)NC(C)=O ZINC000585112897 766283149 /nfs/dbraw/zinc/28/31/49/766283149.db2.gz HHCYWLCKANJIAA-FZMZJTMJSA-N 0 0 302.371 0.112 50 0 DCAARN COc1ccc(OS(=O)(=O)N=[S@@](C)(=O)N(C)C)cc1 ZINC000585115541 766284931 /nfs/dbraw/zinc/28/49/31/766284931.db2.gz GBQXUKCRJITMNM-GOSISDBHSA-N 0 0 308.381 0.893 50 0 DCAARN CN(CC(=O)Nc1cnnn1-c1ccccc1)S(C)(=O)=O ZINC000585125028 766288398 /nfs/dbraw/zinc/28/83/98/766288398.db2.gz DPCIWWKKTWYXLW-UHFFFAOYSA-N 0 0 309.351 0.097 50 0 DCAARN CC(C)Oc1ccc(S(=O)(=O)N(C)c2nnnn2C)cc1 ZINC000585128883 766290103 /nfs/dbraw/zinc/29/01/03/766290103.db2.gz QAICOXGAKUSMHJ-UHFFFAOYSA-N 0 0 311.367 0.822 50 0 DCAARN CCCCN(C)c1ccc(C(=O)N2CC(O)(C(N)=O)C2)cc1 ZINC000585128439 766290344 /nfs/dbraw/zinc/29/03/44/766290344.db2.gz BHYQCDFDGMCBCL-UHFFFAOYSA-N 0 0 305.378 0.595 50 0 DCAARN CC(=O)N1CCN(C(C)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000585138525 766293724 /nfs/dbraw/zinc/29/37/24/766293724.db2.gz YFKXLISBASIKQD-UHFFFAOYSA-N 0 0 313.398 0.934 50 0 DCAARN COC(OC)C(=O)N1CCN(C(=O)OC[C@@H]2CCCO2)CC1 ZINC000952877522 768941833 /nfs/dbraw/zinc/94/18/33/768941833.db2.gz QKRVAWPVYFWIMA-NSHDSACASA-N 0 0 316.354 0.065 50 0 DCAARN CC(C)CN1C[C@H](C(=O)N[C@H]2CC[C@@H](O)[C@@H](O)CC2)CC1=O ZINC000952877856 768941847 /nfs/dbraw/zinc/94/18/47/768941847.db2.gz WIDIEYRQVGDFCN-YIYPIFLZSA-N 0 0 312.410 0.272 50 0 DCAARN Cc1nc(NC(=O)N2CCN(C3CCCC3)C(=O)C2)nn1C ZINC000048428398 769518169 /nfs/dbraw/zinc/51/81/69/769518169.db2.gz KTSOTFKUEZPWMC-UHFFFAOYSA-N 0 0 306.370 0.742 50 0 DCAARN C[C@]1(CO)C[C@@H](O)CN1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000864096491 775754702 /nfs/dbraw/zinc/75/47/02/775754702.db2.gz AWVODLIYGPVBKH-IAQYHMDHSA-N 0 0 308.334 0.807 50 0 DCAARN CCCc1cc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2C)on1 ZINC001529112055 1014496749 /nfs/dbraw/zinc/49/67/49/1014496749.db2.gz GLCMBWHFWUHFFH-UHFFFAOYSA-N 0 0 318.337 0.925 50 0 DCAARN CCCn1nc(C)c(NC(=O)CCNS(C)(=O)=O)c1C ZINC001529120787 1014498490 /nfs/dbraw/zinc/49/84/90/1014498490.db2.gz KCZQQCQGPXIJLI-UHFFFAOYSA-N 0 0 302.400 0.788 50 0 DCAARN COCC[N@@H+]1CC[C@@H](CN(C)c2nc(C)cc(C(=O)[O-])n2)C1 ZINC001529115092 1014498534 /nfs/dbraw/zinc/49/85/34/1014498534.db2.gz YFXUOGWLFKEGPG-LBPRGKRZSA-N 0 0 308.382 0.888 50 0 DCAARN O=C(NCCCCCO)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC001529126055 1014501207 /nfs/dbraw/zinc/50/12/07/1014501207.db2.gz SDJKQCGDAHYLBJ-CABCVRRESA-N 0 0 306.362 0.522 50 0 DCAARN Cc1nc(CC(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)cs1 ZINC001529144142 1014504246 /nfs/dbraw/zinc/50/42/46/1014504246.db2.gz OAALIKPRCSSJTJ-BXUZGUMPSA-N 0 0 318.402 0.846 50 0 DCAARN Cc1ccc(CN2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)nc1 ZINC001529151802 1014507686 /nfs/dbraw/zinc/50/76/86/1014507686.db2.gz MVZMZKUTHHPDQP-JSGCOSHPSA-N 0 0 313.423 0.074 50 0 DCAARN COCCc1noc([C@@H]2CCCCN2CCS(C)(=O)=O)n1 ZINC001529186863 1014516975 /nfs/dbraw/zinc/51/69/75/1014516975.db2.gz LGLVAQBUNVVXHY-NSHDSACASA-N 0 0 317.411 0.830 50 0 DCAARN O=C(Nc1cnn2c1NCCC2)c1ccc(-n2cnnn2)cc1 ZINC001506398309 1017252401 /nfs/dbraw/zinc/25/24/01/1017252401.db2.gz ANAXTYMSWZODGG-UHFFFAOYSA-N 0 0 310.321 0.927 50 0 DCAARN Cc1csc(CN(C)S(=O)(=O)[C@H]2CCS(=O)(=O)C2)n1 ZINC001506402334 1017254501 /nfs/dbraw/zinc/25/45/01/1017254501.db2.gz WWLFVTSBKZBDLS-VIFPVBQESA-N 0 0 324.449 0.400 50 0 DCAARN CCS(=O)(=O)[C@@H](C)C(=O)N1CCNC(=O)C12CCCC2 ZINC001506399624 1017256579 /nfs/dbraw/zinc/25/65/79/1017256579.db2.gz ICHZYODPNVPMEB-JTQLQIEISA-N 0 0 302.396 0.081 50 0 DCAARN CNc1ccnc(N2CCC[C@@H](c3nnc(CO)n3C)C2)n1 ZINC001506415632 1017263524 /nfs/dbraw/zinc/26/35/24/1017263524.db2.gz ZUIICQSMVPXNCG-SNVBAGLBSA-N 0 0 303.370 0.523 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)c2cnc(C(C)C)nc2)cn1 ZINC001506422493 1017266840 /nfs/dbraw/zinc/26/68/40/1017266840.db2.gz BSIDPJDQUPYXOF-UHFFFAOYSA-N 0 0 302.338 0.795 50 0 DCAARN CN(C)Cc1nc(C(=O)N(C)CCN2CCOCC2)cs1 ZINC001506428446 1017269215 /nfs/dbraw/zinc/26/92/15/1017269215.db2.gz PCFQOMRTZLEZSX-UHFFFAOYSA-N 0 0 312.439 0.609 50 0 DCAARN Cc1cn2c(ncc(C(=O)NCCN3CCOCC3)c2=O)s1 ZINC000095480142 185373472 /nfs/dbraw/zinc/37/34/72/185373472.db2.gz GYLHXCZOITUYPH-UHFFFAOYSA-N 0 0 322.390 0.126 50 0 DCAARN COc1cccc2c1OC[C@H](CNC(=O)C1=NNC(=O)CC1)C2 ZINC000095499389 185374731 /nfs/dbraw/zinc/37/47/31/185374731.db2.gz QRLHSHGLRCMHTC-JTQLQIEISA-N 0 0 317.345 0.629 50 0 DCAARN O=C(Cn1ccc2ccccc2c1=O)N1CCS(=O)(=O)CC1 ZINC000095512077 185376373 /nfs/dbraw/zinc/37/63/73/185376373.db2.gz LMAOZUFOQNCXHK-UHFFFAOYSA-N 0 0 320.370 0.259 50 0 DCAARN COc1cncc(O[C@H]2CCN(C(=O)N3CCOCC3)C2)n1 ZINC000225396369 201701083 /nfs/dbraw/zinc/70/10/83/201701083.db2.gz FDMJTZSTMKUIMP-NSHDSACASA-N 0 0 308.338 0.391 50 0 DCAARN Cc1nc(CO[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)cs1 ZINC000225416270 201705217 /nfs/dbraw/zinc/70/52/17/201705217.db2.gz ZWVJVZFHYCDAAK-NWDGAFQWSA-N 0 0 309.391 0.848 50 0 DCAARN Cc1nn(C)c(C)c1OCC(=O)NCC1(C(N)=O)CCCC1 ZINC000079101827 185158246 /nfs/dbraw/zinc/15/82/46/185158246.db2.gz DSZTWHBKMYNWRG-UHFFFAOYSA-N 0 0 308.382 0.578 50 0 DCAARN COc1ccc2nnc(CCC(=O)Nc3cc(C)n(C)n3)n2n1 ZINC000079485673 185173617 /nfs/dbraw/zinc/17/36/17/185173617.db2.gz PCFHUGZVYNKNSK-UHFFFAOYSA-N 0 0 315.337 0.746 50 0 DCAARN CC(C)C(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000082230641 185174419 /nfs/dbraw/zinc/17/44/19/185174419.db2.gz SZPGENVURJQGNV-UHFFFAOYSA-N 0 0 319.409 0.618 50 0 DCAARN CN1C[C@H](C(=O)N2CCC(Oc3ccccn3)CC2)CC1=O ZINC000090607502 185306361 /nfs/dbraw/zinc/30/63/61/185306361.db2.gz YGBSAZLHRRFPRD-GFCCVEGCSA-N 0 0 303.362 0.930 50 0 DCAARN [NH3+][C@@H]1CCN(Cc2cc(Cl)ccc2OCC(=O)[O-])C[C@H]1O ZINC000082097447 192355241 /nfs/dbraw/zinc/35/52/41/192355241.db2.gz FTERRXSSIZDJLG-VXGBXAGGSA-N 0 0 314.769 0.697 50 0 DCAARN CCS(=O)(=O)N(C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000095407859 185356537 /nfs/dbraw/zinc/35/65/37/185356537.db2.gz KPNCKKDLAGGNFO-UHFFFAOYSA-N 0 0 314.363 0.313 50 0 DCAARN O=C(NC1CC1)[C@@H]1CCC[C@H](NC(=O)[C@]2(O)CCSC2)C1 ZINC000095451764 185369346 /nfs/dbraw/zinc/36/93/46/185369346.db2.gz WWMCJXZXVLLCIW-GMXABZIVSA-N 0 0 312.435 0.808 50 0 DCAARN CCc1nn(C)c(CC)c1CNC(=O)NCc1ncnn1C ZINC000095437631 185365470 /nfs/dbraw/zinc/36/54/70/185365470.db2.gz QIOGZINDAHXNJQ-UHFFFAOYSA-N 0 0 305.386 0.673 50 0 DCAARN C[C@H](CNC(=O)Nc1ccc2c(c1)OCCO2)S(N)(=O)=O ZINC000095453716 185369562 /nfs/dbraw/zinc/36/95/62/185369562.db2.gz XYRXKXBEPAIJHO-MRVPVSSYSA-N 0 0 315.351 0.256 50 0 DCAARN CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2nnc[nH]2)C1 ZINC000095465171 185371654 /nfs/dbraw/zinc/37/16/54/185371654.db2.gz XYYAPJPLRSYHHF-OUAUKWLOSA-N 0 0 307.354 0.645 50 0 DCAARN C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N1CCOCC1 ZINC000025501800 190650947 /nfs/dbraw/zinc/65/09/47/190650947.db2.gz VCOOXUNRMMEHJH-OLZOCXBDSA-N 0 0 306.362 0.663 50 0 DCAARN CCn1nc(C)c(CCNC(=O)c2ccc(=O)n(C)n2)c1C ZINC000097155722 185416529 /nfs/dbraw/zinc/41/65/29/185416529.db2.gz NLAIHQRBWHZWJI-UHFFFAOYSA-N 0 0 303.366 0.586 50 0 DCAARN CNS(=O)(=O)CC(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000408517069 530014620 /nfs/dbraw/zinc/01/46/20/530014620.db2.gz DGGWUWYHQORVDM-UHFFFAOYSA-N 0 0 318.326 0.408 50 0 DCAARN Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)NCc1ccn(C)n1 ZINC000227161623 201794123 /nfs/dbraw/zinc/79/41/23/201794123.db2.gz KWEQAYOHZOXJCJ-UHFFFAOYSA-N 0 0 322.346 0.642 50 0 DCAARN CC(=O)c1[nH]c(C)c(C(=O)NCCN(C)S(C)(=O)=O)c1C ZINC000067983256 190741336 /nfs/dbraw/zinc/74/13/36/190741336.db2.gz APCUCBGKYPRDST-UHFFFAOYSA-N 0 0 315.395 0.455 50 0 DCAARN C[C@@H](C(=O)NC1=NCCS1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000101273441 295771112 /nfs/dbraw/zinc/77/11/12/295771112.db2.gz FGKNYHBWMACBRP-GUBZILKMSA-N 0 0 307.375 0.545 50 0 DCAARN NC(=O)Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)cn1 ZINC000069847233 190828084 /nfs/dbraw/zinc/82/80/84/190828084.db2.gz YIMAUILHQRIIDY-UHFFFAOYSA-N 0 0 311.345 0.822 50 0 DCAARN CCOC(=O)[C@@H](C)N1CCC[C@H](C(=O)N(C)CCOC)C1 ZINC000069972358 190844973 /nfs/dbraw/zinc/84/49/73/190844973.db2.gz XWKCJHFLIQFWLJ-OLZOCXBDSA-N 0 0 300.399 0.755 50 0 DCAARN Cn1c2nc3n(c2c(=O)[nH]c1=O)CCCN3c1cccc(O)c1 ZINC000012422038 282608521 /nfs/dbraw/zinc/60/85/21/282608521.db2.gz UNFIVYMPBGBPDC-UHFFFAOYSA-N 0 0 313.317 0.671 50 0 DCAARN CC(C)c1nnc2sc(C[C@H]3C(=O)N(C)C(=O)N3C)nn21 ZINC000071712222 191011363 /nfs/dbraw/zinc/01/13/63/191011363.db2.gz KDLZZFOPVWOGDH-ZETCQYMHSA-N 0 0 308.367 0.744 50 0 DCAARN CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)[C@H]1CNCC(=O)N1 ZINC000071681164 191006606 /nfs/dbraw/zinc/00/66/06/191006606.db2.gz ROQNVVCWZRMZEE-LLVKDONJSA-N 0 0 319.390 0.185 50 0 DCAARN CCc1cnc(C)nc1N1CCN[C@H](C(=O)N2CCCC2)C1 ZINC000072121116 191040050 /nfs/dbraw/zinc/04/00/50/191040050.db2.gz CSSDKLLFKIJOCV-AWEZNQCLSA-N 0 0 303.410 0.748 50 0 DCAARN COc1cccc(CC(=O)N2CCC[C@](O)(CO)C2)c1OC ZINC000072128392 191043479 /nfs/dbraw/zinc/04/34/79/191043479.db2.gz GSSKQJNAGVMWPD-MRXNPFEDSA-N 0 0 309.362 0.592 50 0 DCAARN O=C(N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1)c1c[nH]c(=O)[nH]1 ZINC000072127459 191043789 /nfs/dbraw/zinc/04/37/89/191043789.db2.gz BVWHWXAQLHNQQB-NSHDSACASA-N 0 0 318.308 0.373 50 0 DCAARN CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NC ZINC000072147223 191053027 /nfs/dbraw/zinc/05/30/27/191053027.db2.gz QGXBTEVZHPFWJW-ZDUSSCGKSA-N 0 0 305.378 0.522 50 0 DCAARN CC(C)CC(=O)C(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000072151706 191056197 /nfs/dbraw/zinc/05/61/97/191056197.db2.gz WTYIHBMEQFNEDE-GFCCVEGCSA-N 0 0 320.393 0.338 50 0 DCAARN CC(=O)Nc1ncc(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)s1 ZINC000072153674 191057968 /nfs/dbraw/zinc/05/79/68/191057968.db2.gz SPLIDMMEBFJEKO-ZDUSSCGKSA-N 0 0 324.362 0.768 50 0 DCAARN O=C(CCn1ccccc1=O)N1CCC[C@]2(CNC(=O)O2)CC1 ZINC000072156489 191059438 /nfs/dbraw/zinc/05/94/38/191059438.db2.gz OXXCWZAABCYPIC-MRXNPFEDSA-N 0 0 319.361 0.730 50 0 DCAARN Cc1nn2c([n-]1)nc(CN1CC[C@]3(CN(C)C(=O)O3)C1)cc2=O ZINC000072168370 191066016 /nfs/dbraw/zinc/06/60/16/191066016.db2.gz JZGFOBQVENORNV-AWEZNQCLSA-N 0 0 318.337 0.165 50 0 DCAARN O=S(=O)(NCc1ccccc1)N1CCC(n2cnnc2)CC1 ZINC000072168468 191066570 /nfs/dbraw/zinc/06/65/70/191066570.db2.gz WFMVDKQYQJWMJQ-UHFFFAOYSA-N 0 0 321.406 0.950 50 0 DCAARN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCO[C@H](C)C1 ZINC000171012635 197865907 /nfs/dbraw/zinc/86/59/07/197865907.db2.gz IKLNENLIJXNFIN-LLVKDONJSA-N 0 0 312.391 0.893 50 0 DCAARN O=C(CS(=O)(=O)C1CCCC1)N[C@@H]1CCc2nccn2C1 ZINC000072278632 191100677 /nfs/dbraw/zinc/10/06/77/191100677.db2.gz MYFGNCCLOLHDGQ-LLVKDONJSA-N 0 0 311.407 0.672 50 0 DCAARN O=C(NCCCNC(=O)c1ccc(=O)[nH]n1)c1cccc(F)c1 ZINC000072277581 191098045 /nfs/dbraw/zinc/09/80/45/191098045.db2.gz QUFKRFRTCFPBMD-UHFFFAOYSA-N 0 0 318.308 0.459 50 0 DCAARN CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)o1 ZINC000072281819 191102446 /nfs/dbraw/zinc/10/24/46/191102446.db2.gz TZBYSEXJQCNIFF-JTQLQIEISA-N 0 0 324.362 0.752 50 0 DCAARN Cn1nc2c(cc1=O)CN(CC(=O)NCc1ccco1)CC2 ZINC000072302416 191115084 /nfs/dbraw/zinc/11/50/84/191115084.db2.gz LDTGFUIXUCWQNA-UHFFFAOYSA-N 0 0 302.334 0.048 50 0 DCAARN Cc1cc(N2CC[C@H](N3C(=O)[C@H]4CCCN4C3=O)C2=O)n(C)n1 ZINC000253393883 186303775 /nfs/dbraw/zinc/30/37/75/186303775.db2.gz DEDBHFIVKHUMBN-MNOVXSKESA-N 0 0 317.349 0.260 50 0 DCAARN COc1ccc(C(=O)N2CCC(N3C(=O)COC3=O)CC2)cn1 ZINC000253405094 186307343 /nfs/dbraw/zinc/30/73/43/186307343.db2.gz RTTFKQIQFCMGQH-UHFFFAOYSA-N 0 0 319.317 0.674 50 0 DCAARN Cn1nc2c(cc1=O)CN(Cc1nc(-c3cccnc3)no1)CC2 ZINC000072302359 191115532 /nfs/dbraw/zinc/11/55/32/191115532.db2.gz YCIQOEICNLSNNE-UHFFFAOYSA-N 0 0 324.344 0.784 50 0 DCAARN CCCN1CCN(Cc2cccnc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072409990 191153930 /nfs/dbraw/zinc/15/39/30/191153930.db2.gz PTJCPQYWDTUUCC-CABCVRRESA-N 0 0 309.435 0.775 50 0 DCAARN Cc1nnnn1-c1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000072405644 191151774 /nfs/dbraw/zinc/15/17/74/191151774.db2.gz JLSKHKQAKCHRQO-UHFFFAOYSA-N 0 0 316.365 0.033 50 0 DCAARN CCc1cc(NCCC(=O)N2CCOCC2)n2nccc2n1 ZINC000072430696 191162522 /nfs/dbraw/zinc/16/25/22/191162522.db2.gz DXOPWHZLMYKPLN-UHFFFAOYSA-N 0 0 303.366 0.953 50 0 DCAARN Cc1ccnc(OCC(=O)N2CCN(c3ncccn3)CC2)n1 ZINC000072438146 191165683 /nfs/dbraw/zinc/16/56/83/191165683.db2.gz FDXMBEQTJXQHDH-UHFFFAOYSA-N 0 0 314.349 0.303 50 0 DCAARN COC(=O)NCC(=O)N1CCN(Cc2ncccc2C)CC1 ZINC000072431223 191163373 /nfs/dbraw/zinc/16/33/73/191163373.db2.gz FRVDUALDSIOLJI-UHFFFAOYSA-N 0 0 306.366 0.390 50 0 DCAARN Cc1nn(CCNC(=O)[C@@H]2NCCc3nc[nH]c32)c(C)c1Cl ZINC000072478270 191179278 /nfs/dbraw/zinc/17/92/78/191179278.db2.gz TWTLTEBXGXARFW-CYBMUJFWSA-N 0 0 322.800 0.880 50 0 DCAARN C[C@@H]1CCCN(S(=O)(=O)NCC(=O)Nc2ccccn2)C1 ZINC000084697564 545703120 /nfs/dbraw/zinc/70/31/20/545703120.db2.gz DTLOURKLLOFYAG-LLVKDONJSA-N 0 0 312.395 0.586 50 0 DCAARN Cc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1C(N)=O ZINC000000991136 180839341 /nfs/dbraw/zinc/83/93/41/180839341.db2.gz FEHKHSJOXCVTHS-QWRGUYRKSA-N 0 0 312.391 0.892 50 0 DCAARN CNC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O ZINC000003329490 181006052 /nfs/dbraw/zinc/00/60/52/181006052.db2.gz OGGUNJWOCRMUJF-LBPRGKRZSA-N 0 0 300.318 0.377 50 0 DCAARN NS(=O)(=O)c1ccc(NC(=O)CSc2ncccn2)cc1 ZINC000003346184 181008917 /nfs/dbraw/zinc/00/89/17/181008917.db2.gz IDLFWVFBRUIZHU-UHFFFAOYSA-N 0 0 324.387 0.855 50 0 DCAARN CCCNC(=O)NC(=O)CSc1nnnn1-c1ccccc1 ZINC000003427549 181018134 /nfs/dbraw/zinc/01/81/34/181018134.db2.gz SJOUWOQOQRZBBM-UHFFFAOYSA-N 0 0 320.378 0.990 50 0 DCAARN CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)OCO2 ZINC000003520939 181029947 /nfs/dbraw/zinc/02/99/47/181029947.db2.gz HVGJBJZJUMKVFY-MRVPVSSYSA-N 0 0 308.290 0.806 50 0 DCAARN Nc1nonc1C(=O)NCCNC(=O)c1ccccc1Cl ZINC000003772565 181045571 /nfs/dbraw/zinc/04/55/71/181045571.db2.gz NCVIHZYOHGTQMS-UHFFFAOYSA-N 0 0 309.713 0.465 50 0 DCAARN COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@H]1c1cccnc1 ZINC000003903533 181055228 /nfs/dbraw/zinc/05/52/28/181055228.db2.gz AIIYGGXNHFQOGB-JFILPPLUSA-N 0 0 321.329 0.467 50 0 DCAARN COc1ccc(CNS(=O)(=O)c2coc(C(N)=O)c2)cc1 ZINC000004176287 181081789 /nfs/dbraw/zinc/08/17/89/181081789.db2.gz XHRUFQNRZMHLRX-UHFFFAOYSA-N 0 0 310.331 0.866 50 0 DCAARN COCCCn1c(C)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000004248590 181087718 /nfs/dbraw/zinc/08/77/18/181087718.db2.gz VVJXLKPIEJCYMS-UHFFFAOYSA-N 0 0 305.338 0.031 50 0 DCAARN Cc1nn2c(nnc2SCC(=O)NC2CCCCC2)[nH]c1=O ZINC000004251402 181088737 /nfs/dbraw/zinc/08/87/37/181088737.db2.gz ONQZCAYJQPRAPY-UHFFFAOYSA-N 0 0 322.394 0.662 50 0 DCAARN C[C@H](O)Cn1c2c(nc1N1CCCCCC1)n(C)c(=O)[nH]c2=O ZINC000004318042 181097440 /nfs/dbraw/zinc/09/74/40/181097440.db2.gz QCFRUTCJCQNDJH-JTQLQIEISA-N 0 0 321.381 0.185 50 0 DCAARN O=C(COC(=O)C1=NNC(=O)CC1)Nc1ccc2c(c1)CCC2 ZINC000004334134 181099349 /nfs/dbraw/zinc/09/93/49/181099349.db2.gz VLCWVPZTMHVMRS-UHFFFAOYSA-N 0 0 315.329 0.923 50 0 DCAARN O[C@@H]1CO[C@@H](Nc2ccc(Br)cc2)[C@H](O)[C@H]1O ZINC000004357814 181101589 /nfs/dbraw/zinc/10/15/89/181101589.db2.gz XNRPWNFGHKJOMI-LMLFDSFASA-N 0 0 304.140 0.300 50 0 DCAARN CC1(C)O[C@H]2O[C@@H]([C@H](O)CO)[C@H](OCc3ccccc3)[C@H]2O1 ZINC000004530857 181120408 /nfs/dbraw/zinc/12/04/08/181120408.db2.gz CIFFIYJOTIJKSX-GZBLMMOJSA-N 0 0 310.346 0.801 50 0 DCAARN COCCNS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000004570132 181125978 /nfs/dbraw/zinc/12/59/78/181125978.db2.gz VYBFRHDXKVTJRV-UHFFFAOYSA-N 0 0 310.375 0.447 50 0 DCAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000004778330 181151082 /nfs/dbraw/zinc/15/10/82/181151082.db2.gz UECYTTVGGRQEML-LLVKDONJSA-N 0 0 312.391 0.971 50 0 DCAARN O=C(NCCS(=O)(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000004940902 181176453 /nfs/dbraw/zinc/17/64/53/181176453.db2.gz MSLKKPWBIVHLOK-CYBMUJFWSA-N 0 0 312.391 0.515 50 0 DCAARN CN(C)c1nc(Oc2ccc(=O)n(C)n2)nc(N2CCCC2)n1 ZINC000005016888 181190842 /nfs/dbraw/zinc/19/08/42/181190842.db2.gz JPFADDLJTDOLAT-UHFFFAOYSA-N 0 0 317.353 0.424 50 0 DCAARN CC(=O)N[C@@H](C(=O)N1CCN(c2ccccn2)CC1)C(C)C ZINC000005062501 181199048 /nfs/dbraw/zinc/19/90/48/181199048.db2.gz ZUAUOQSGPRLCLS-OAHLLOKOSA-N 0 0 304.394 0.891 50 0 DCAARN O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)NN1CCOCC1 ZINC000005123264 181206182 /nfs/dbraw/zinc/20/61/82/181206182.db2.gz OFKMHTNMQZKYFR-LBPRGKRZSA-N 0 0 304.350 0.338 50 0 DCAARN O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)NN1CCOCC1 ZINC000005195219 181215809 /nfs/dbraw/zinc/21/58/09/181215809.db2.gz WBRAYWZCRIHYML-LBPRGKRZSA-N 0 0 322.340 0.477 50 0 DCAARN Cc1cc(S(=O)(=O)N[C@@H](C(N)=O)C(C)C)cnc1Cl ZINC000078771672 191928366 /nfs/dbraw/zinc/92/83/66/191928366.db2.gz GCHSCFRSYAKUBW-SECBINFHSA-N 0 0 305.787 0.832 50 0 DCAARN Cn1nnnc1SCCn1c(=O)[nH]c2ccccc2c1=O ZINC000005387365 181237748 /nfs/dbraw/zinc/23/77/48/181237748.db2.gz XGYVMSJWYPFPLF-UHFFFAOYSA-N 0 0 304.335 0.006 50 0 DCAARN COc1ccc(CC(=O)NCc2nc(C)cc(=O)[nH]2)cc1OC ZINC000005611984 181263548 /nfs/dbraw/zinc/26/35/48/181263548.db2.gz NCIDMQSIMSKZRQ-UHFFFAOYSA-N 0 0 317.345 0.954 50 0 DCAARN C[C@H]1C[C@H](C)CN(C(=O)c2n[nH]c3c2CS(=O)(=O)CC3)C1 ZINC000041120890 291113623 /nfs/dbraw/zinc/11/36/23/291113623.db2.gz PKFGNPFVSXYWTI-UWVGGRQHSA-N 0 0 311.407 0.999 50 0 DCAARN COc1ccccc1CN1CCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000237166626 202172870 /nfs/dbraw/zinc/17/28/70/202172870.db2.gz VQKDYNHAPITUPA-HNNXBMFYSA-N 0 0 319.405 0.328 50 0 DCAARN CN1Cc2ccccc2C[C@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC000095386546 283253566 /nfs/dbraw/zinc/25/35/66/283253566.db2.gz VCXDTGQIGLCKSF-AWEZNQCLSA-N 0 0 308.403 0.300 50 0 DCAARN CCCN1CC(=O)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000057738234 283317570 /nfs/dbraw/zinc/31/75/70/283317570.db2.gz JHFASALQOKAMKY-KBPBESRZSA-N 0 0 308.403 0.911 50 0 DCAARN COC(=O)C[C@@H]1CSCCN1C[C@@H]1CCCS(=O)(=O)C1 ZINC000253416318 291132974 /nfs/dbraw/zinc/13/29/74/291132974.db2.gz ARXBKPGDNQDJKG-NWDGAFQWSA-N 0 0 321.464 0.792 50 0 DCAARN COc1cccc(F)c1C(=O)N[C@@H]1CCN(C(C)=O)C[C@H]1O ZINC000426649616 240353112 /nfs/dbraw/zinc/35/31/12/240353112.db2.gz KLKOXRXERNJVDS-VXGBXAGGSA-N 0 0 310.325 0.546 50 0 DCAARN CN(C)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000180704815 237256701 /nfs/dbraw/zinc/25/67/01/237256701.db2.gz WJNVNHBRYVEVTG-LBPRGKRZSA-N 0 0 303.428 0.994 50 0 DCAARN Cn1c(CCNC(=O)[C@@H]2COCCN2)nc2ccc(F)cc21 ZINC000237735831 202342304 /nfs/dbraw/zinc/34/23/04/202342304.db2.gz VTQVNQKBEKIEBI-LBPRGKRZSA-N 0 0 306.341 0.360 50 0 DCAARN COc1ccc2c(c1)CCCCN2C(=O)Cn1ncn(C)c1=O ZINC000241132715 202462471 /nfs/dbraw/zinc/46/24/71/202462471.db2.gz JLCQBGLEQYICRG-UHFFFAOYSA-N 0 0 316.361 0.960 50 0 DCAARN O=C(Cn1c2ccccc2nc1NCCO)NC[C@@H]1CCCO1 ZINC000006110661 181313291 /nfs/dbraw/zinc/31/32/91/181313291.db2.gz LKPBAAYEESTZDX-LBPRGKRZSA-N 0 0 318.377 0.736 50 0 DCAARN Cn1cc(S(=O)(=O)NC[C@H]2Cc3ccccc32)cc1C(N)=O ZINC000193981062 201155605 /nfs/dbraw/zinc/15/56/05/201155605.db2.gz MMJLJEAMGRYOMR-LLVKDONJSA-N 0 0 319.386 0.742 50 0 DCAARN CSc1ncccc1C(=O)N1CC(N2C(=O)CNC2=O)C1 ZINC000244942689 202509711 /nfs/dbraw/zinc/50/97/11/202509711.db2.gz CVDUYIXABQBCKX-UHFFFAOYSA-N 0 0 306.347 0.180 50 0 DCAARN CN(C)c1ccc(C(=O)N2CC(N3C(=O)CNC3=O)C2)cc1 ZINC000245171651 202510909 /nfs/dbraw/zinc/51/09/09/202510909.db2.gz XONGSSZWTJZHCE-UHFFFAOYSA-N 0 0 302.334 0.129 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C ZINC000006587378 181358072 /nfs/dbraw/zinc/35/80/72/181358072.db2.gz CFATUSFXEFMFOV-MRVPVSSYSA-N 0 0 320.374 0.870 50 0 DCAARN CCOC(=O)Nc1ccc(S(=O)(=O)NCCCO)cc1 ZINC000006655692 181366124 /nfs/dbraw/zinc/36/61/24/181366124.db2.gz FBSPUUSPMKWADE-UHFFFAOYSA-N 0 0 302.352 0.916 50 0 DCAARN C[C@H]1c2cc(S(=O)(=O)N3CCOCC3)ccc2N(C)C1=O ZINC000000126509 291315638 /nfs/dbraw/zinc/31/56/38/291315638.db2.gz QKTYOSJQRPFJGF-JTQLQIEISA-N 0 0 310.375 0.787 50 0 DCAARN COc1ccccc1C(=O)NCc1cc(=O)n(C)c(=O)n1C ZINC000006662518 181367540 /nfs/dbraw/zinc/36/75/40/181367540.db2.gz KEDMAROCASEWQX-UHFFFAOYSA-N 0 0 303.318 0.023 50 0 DCAARN COC(=O)CCNC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000006997412 283805264 /nfs/dbraw/zinc/80/52/64/283805264.db2.gz AVYSCSDSYLSKQA-UHFFFAOYSA-N 0 0 318.329 0.742 50 0 DCAARN COC[C@@H](C)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000006766541 181385603 /nfs/dbraw/zinc/38/56/03/181385603.db2.gz VGSFLJSNSSAHPV-SNVBAGLBSA-N 0 0 312.391 0.773 50 0 DCAARN CC(C)=CC[C@]1(CO)CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000091412378 193053188 /nfs/dbraw/zinc/05/31/88/193053188.db2.gz BZRUUJFWGXVUPL-MRXNPFEDSA-N 0 0 323.393 0.496 50 0 DCAARN C[C@@H]1CN(C(=O)CCn2cncn2)CC[C@@]1(O)C1CCOCC1 ZINC000091519348 193068005 /nfs/dbraw/zinc/06/80/05/193068005.db2.gz IQJSNXPVGKGLSR-CJNGLKHVSA-N 0 0 322.409 0.694 50 0 DCAARN Cc1noc([C@@H]2CCC(=O)N(CCCN3CCOCC3)C2)n1 ZINC000091563319 193073255 /nfs/dbraw/zinc/07/32/55/193073255.db2.gz GKDGLYHQODMURS-CYBMUJFWSA-N 0 0 308.382 0.806 50 0 DCAARN CCN1C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)CCC1=O ZINC000091585996 193075306 /nfs/dbraw/zinc/07/53/06/193075306.db2.gz XBKPYVXVSDNFDR-ZDUSSCGKSA-N 0 0 317.393 0.384 50 0 DCAARN C[C@@H]1CN(c2cc(NCCO)nc(N)n2)CC[C@@]1(O)C1CCC1 ZINC000091950590 193130999 /nfs/dbraw/zinc/13/09/99/193130999.db2.gz YFSNYYHGBSQRQJ-BZNIZROVSA-N 0 0 321.425 0.840 50 0 DCAARN Cn1cnnc1SCCNC(=O)[C@@H](O)c1ccc(F)cc1 ZINC000215098622 201449420 /nfs/dbraw/zinc/44/94/20/201449420.db2.gz SXSJOWNSQVAPDY-NSHDSACASA-N 0 0 310.354 0.896 50 0 DCAARN Cc1cc(C(=O)N2CCN(C(=O)N(C)C)CC2)c(=O)n(C)c1C ZINC000216367523 201490350 /nfs/dbraw/zinc/49/03/50/201490350.db2.gz DVAFBCGKIKBLLK-UHFFFAOYSA-N 0 0 320.393 0.442 50 0 DCAARN Cn1cnnc1SCCNC(=O)c1ccn(C(F)F)n1 ZINC000219225719 201550933 /nfs/dbraw/zinc/55/09/33/201550933.db2.gz XPZOQZDGJIRQFW-UHFFFAOYSA-N 0 0 302.310 0.929 50 0 DCAARN Cn1ccnc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 ZINC000220107802 201570200 /nfs/dbraw/zinc/57/02/00/201570200.db2.gz JPECAKGDWRNOTR-ZIAGYGMSSA-N 0 0 316.361 0.919 50 0 DCAARN CC(=O)NCC(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000220754640 201578863 /nfs/dbraw/zinc/57/88/63/201578863.db2.gz LFKHPMDJIUOQRQ-LLVKDONJSA-N 0 0 306.366 0.864 50 0 DCAARN CC1=C(C(=O)N2CCC[C@]3(CNC(=O)O3)C2)SC2=NCCN12 ZINC000222303099 201608315 /nfs/dbraw/zinc/60/83/15/201608315.db2.gz UNXYCIJPTCZUFV-AWEZNQCLSA-N 0 0 322.390 0.737 50 0 DCAARN COCCN1C[C@H](Cc2nc(C)c(C)cc2C(N)=O)CC1=O ZINC000252489015 202845457 /nfs/dbraw/zinc/84/54/57/202845457.db2.gz JDQXFQYULUQWEX-GFCCVEGCSA-N 0 0 305.378 0.835 50 0 DCAARN CSCC[C@H](CO)NC(=O)[C@@H](c1ccccc1)n1cnnn1 ZINC000252497982 202851737 /nfs/dbraw/zinc/85/17/37/202851737.db2.gz QSZZLTWGIIRHBS-CHWSQXEVSA-N 0 0 321.406 0.493 50 0 DCAARN COC(=O)c1sccc1S(=O)(=O)N(C)C1(CO)CC1 ZINC000253419168 202878925 /nfs/dbraw/zinc/87/89/25/202878925.db2.gz BJWAVMYXVHHEEC-UHFFFAOYSA-N 0 0 305.377 0.680 50 0 DCAARN O=C(N[C@H]1C=CS(=O)(=O)C1)c1cnn(-c2ccccc2)c1 ZINC000096133389 284162624 /nfs/dbraw/zinc/16/26/24/284162624.db2.gz DSTWTQSDVZHZNS-LBPRGKRZSA-N 0 0 303.343 0.913 50 0 DCAARN CC(C)NC(=O)CN1CCN(c2nnc(C3CCC3)o2)CC1 ZINC000095366519 193434105 /nfs/dbraw/zinc/43/41/05/193434105.db2.gz AWZHBONZDMEOCO-UHFFFAOYSA-N 0 0 307.398 0.984 50 0 DCAARN CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(N)=O ZINC000007782864 181495753 /nfs/dbraw/zinc/49/57/53/181495753.db2.gz PURQRGNSMQXOMS-LLVKDONJSA-N 0 0 302.421 0.880 50 0 DCAARN CCCNS(=O)(=O)c1ccc(OCC(=O)NC)c(C)c1 ZINC000096193170 193571888 /nfs/dbraw/zinc/57/18/88/193571888.db2.gz BRJQVERAYCVYKS-UHFFFAOYSA-N 0 0 300.380 0.808 50 0 DCAARN C[C@H](NC(=O)c1ccn2nnnc2c1)c1nnc2ccccn21 ZINC000096223659 193590060 /nfs/dbraw/zinc/59/00/60/193590060.db2.gz DSRGWUWFLBSXEM-VIFPVBQESA-N 0 0 308.305 0.658 50 0 DCAARN Cn1cccc1CNC(=O)Cn1nc2c(cc1=O)CCCC2 ZINC000096345007 193613994 /nfs/dbraw/zinc/61/39/94/193613994.db2.gz OWJLLDAWMYIFLU-UHFFFAOYSA-N 0 0 300.362 0.777 50 0 DCAARN Cc1ccc(F)cc1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000096408590 193622717 /nfs/dbraw/zinc/62/27/17/193622717.db2.gz OUJCMYJFNHKGBB-NSHDSACASA-N 0 0 300.355 0.898 50 0 DCAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(=O)[nH]n1 ZINC000008294765 181544763 /nfs/dbraw/zinc/54/47/63/181544763.db2.gz FILVPCRRPQOYQB-UHFFFAOYSA-N 0 0 304.281 0.620 50 0 DCAARN Cc1ccc(CN2C[C@H](C(=O)NN3CCOCC3)CC2=O)cc1 ZINC000008882040 181590055 /nfs/dbraw/zinc/59/00/55/181590055.db2.gz WWLJRHCBHONQGV-OAHLLOKOSA-N 0 0 317.389 0.707 50 0 DCAARN CON(C)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000008923766 181591291 /nfs/dbraw/zinc/59/12/91/181591291.db2.gz BFNUPWYNEMEKSU-UHFFFAOYSA-N 0 0 305.334 0.563 50 0 DCAARN COc1cc2ncn(CC(=O)NC(C)C)c(=O)c2cc1OC ZINC000009389870 181619396 /nfs/dbraw/zinc/61/93/96/181619396.db2.gz WIWZIXXOJVYXJW-UHFFFAOYSA-N 0 0 305.334 0.938 50 0 biogenic DCAARN O=C([O-])CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000011612461 181695068 /nfs/dbraw/zinc/69/50/68/181695068.db2.gz SQVWAFNWFNAQLX-UHFFFAOYSA-N 0 0 317.345 0.658 50 0 DCAARN O=C(NCCCN1CCCC1=O)c1nc(-c2cccnc2)no1 ZINC000012391335 181756834 /nfs/dbraw/zinc/75/68/34/181756834.db2.gz DNZGNVRNRPHVMI-UHFFFAOYSA-N 0 0 315.333 0.874 50 0 DCAARN CCCCn1nnnc1CN1CCc2ncnc(OC)c2C1 ZINC000097202062 193689932 /nfs/dbraw/zinc/68/99/32/193689932.db2.gz FZZJNEOXFSRNCD-UHFFFAOYSA-N 0 0 303.370 0.830 50 0 DCAARN O=C1[C@@H]2[C@H]3C[C@@H]([C@H]2C(=O)N1c1ccccc1Cl)[C@H](O)[C@@H]3O ZINC000013512257 181857232 /nfs/dbraw/zinc/85/72/32/181857232.db2.gz HMMPSZDOEBFYEE-FJDQCGBZSA-N 0 0 307.733 0.817 50 0 DCAARN COC(=O)[C@@H](NC(=O)CSc1nc(N)n[nH]1)c1ccccc1 ZINC000013945155 181913746 /nfs/dbraw/zinc/91/37/46/181913746.db2.gz BNPMBDFHGNGRGR-JTQLQIEISA-N 0 0 321.362 0.510 50 0 DCAARN CC(=O)c1ccc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000014251268 181943431 /nfs/dbraw/zinc/94/34/31/181943431.db2.gz RKRBNXBXUMAWAW-GFCCVEGCSA-N 0 0 320.345 0.959 50 0 DCAARN COC(=O)CCC(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000015062651 181985654 /nfs/dbraw/zinc/98/56/54/181985654.db2.gz OKHZCOKHASGIGA-CQSZACIVSA-N 0 0 318.373 0.899 50 0 DCAARN O=C(NCCN1CCOCC1)N[C@@H]1COc2ccccc2C1 ZINC000015787236 182018159 /nfs/dbraw/zinc/01/81/59/182018159.db2.gz DHBZUBVCQZDMPN-AWEZNQCLSA-N 0 0 305.378 0.622 50 0 DCAARN COCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000016651498 182056205 /nfs/dbraw/zinc/05/62/05/182056205.db2.gz UOHVNZOFDOXHQO-UHFFFAOYSA-N 0 0 316.379 0.322 50 0 DCAARN Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NC1CC1 ZINC000016649403 182056224 /nfs/dbraw/zinc/05/62/24/182056224.db2.gz QJOYEAHXKLOYJE-UHFFFAOYSA-N 0 0 312.391 0.903 50 0 DCAARN NS(=O)(=O)c1ccc(OCCOC(=O)c2cccnc2)cc1 ZINC000016694752 182058276 /nfs/dbraw/zinc/05/82/76/182058276.db2.gz JZUFYWQWHRAXOD-UHFFFAOYSA-N 0 0 322.342 0.965 50 0 DCAARN O=C1OCC[C@H]1N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000016978657 182066841 /nfs/dbraw/zinc/06/68/41/182066841.db2.gz LYNNVRYRCSDSQX-CYBMUJFWSA-N 0 0 310.375 0.308 50 0 DCAARN Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCOCC2)o1 ZINC000097436860 193720254 /nfs/dbraw/zinc/72/02/54/193720254.db2.gz MXZNBRFDGDOSGV-AWEZNQCLSA-N 0 0 321.377 0.137 50 0 DCAARN COc1cccc(CN2CCN(CCOCCO)CC2)c1OC ZINC000019606491 182133050 /nfs/dbraw/zinc/13/30/50/182133050.db2.gz JZUFDZVAUHZJFZ-UHFFFAOYSA-N 0 0 324.421 0.830 50 0 DCAARN Cc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1F ZINC000019618954 182133468 /nfs/dbraw/zinc/13/34/68/182133468.db2.gz YEBSJJIGUJPUFO-UHFFFAOYSA-N 0 0 302.371 0.745 50 0 DCAARN COc1ccc(OC[C@H](O)CN2CCN(CCO)CC2)cc1 ZINC000019770863 182145175 /nfs/dbraw/zinc/14/51/75/182145175.db2.gz ZGGUJDGEJUFZRU-CQSZACIVSA-N 0 0 310.394 0.045 50 0 DCAARN O=C(C[C@H]1Oc2ccccc2NC1=O)NCCN1CCOCC1 ZINC000020355506 182211084 /nfs/dbraw/zinc/21/10/84/182211084.db2.gz OMAXPQYLPOVORP-CQSZACIVSA-N 0 0 319.361 0.225 50 0 DCAARN CN1CCN(C2=N[C@H](C(=O)Nc3ccccc3)CC(=O)N2)CC1 ZINC000020419275 182215973 /nfs/dbraw/zinc/21/59/73/182215973.db2.gz LSJICHAQRDGWSD-ZDUSSCGKSA-N 0 0 315.377 0.117 50 0 DCAARN Cc1cnc(CNC(=O)c2cnc(N3CCOCC3)nc2)cn1 ZINC000097694975 193748235 /nfs/dbraw/zinc/74/82/35/193748235.db2.gz RXCAKQGRFRXNPZ-UHFFFAOYSA-N 0 0 314.349 0.342 50 0 DCAARN Cc1cc(F)ccc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O ZINC000020489230 182223682 /nfs/dbraw/zinc/22/36/82/182223682.db2.gz PFOONUYGXHVILM-UHFFFAOYSA-N 0 0 313.310 0.620 50 0 DCAARN O=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)NC1CC1 ZINC000020714323 182243232 /nfs/dbraw/zinc/24/32/32/182243232.db2.gz DQCCHNHXEYEWNC-UHFFFAOYSA-N 0 0 314.345 0.293 50 0 DCAARN COc1ccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)c(F)c1 ZINC000020600924 182236364 /nfs/dbraw/zinc/23/63/64/182236364.db2.gz XJTVCPADSCOYLW-HOTGVXAUSA-N 0 0 310.369 0.712 50 0 DCAARN Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N1CCCO1 ZINC000020910679 182253639 /nfs/dbraw/zinc/25/36/39/182253639.db2.gz WYUIWFQIFZRPTC-HNNXBMFYSA-N 0 0 317.389 0.849 50 0 DCAARN Cn1c(C(=O)N2CCN(S(C)(=O)=O)CC2)cc2ccccc21 ZINC000020744736 182246070 /nfs/dbraw/zinc/24/60/70/182246070.db2.gz YNHBIZLENXTKCC-UHFFFAOYSA-N 0 0 321.402 0.896 50 0 DCAARN Cc1nn(C)cc1-c1ccn(CC(=O)Nc2cnn(C)n2)n1 ZINC000020855476 182249261 /nfs/dbraw/zinc/24/92/61/182249261.db2.gz VKCQOBHFOHMXPO-UHFFFAOYSA-N 0 0 300.326 0.359 50 0 DCAARN CCNC1=C(C(=O)N2CCOCC2)S(=O)(=O)c2ccccc21 ZINC000021337963 182272190 /nfs/dbraw/zinc/27/21/90/182272190.db2.gz APAUEOMXARXZHG-UHFFFAOYSA-N 0 0 322.386 0.611 50 0 DCAARN CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000021531980 182278907 /nfs/dbraw/zinc/27/89/07/182278907.db2.gz BFVYJGNCXLLCRT-UHFFFAOYSA-N 0 0 323.418 0.898 50 0 DCAARN CC(C)C(=O)Nc1nnc(S(=O)(=O)N2CCCC2)s1 ZINC000021526219 182279068 /nfs/dbraw/zinc/27/90/68/182279068.db2.gz XRHGHGVIUNSTTL-UHFFFAOYSA-N 0 0 304.397 0.917 50 0 DCAARN CCn1nnc2cc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)ccc21 ZINC000022547438 182326301 /nfs/dbraw/zinc/32/63/01/182326301.db2.gz GOPIJYARRXXKTB-AWEZNQCLSA-N 0 0 322.390 0.758 50 0 DCAARN COC(=O)c1ccc(CN2C(=O)N[C@@]3(CCSC3)C2=O)o1 ZINC000022669728 182330749 /nfs/dbraw/zinc/33/07/49/182330749.db2.gz XRMKJKCSBLQKLO-CYBMUJFWSA-N 0 0 310.331 0.994 50 0 DCAARN CC(C)C[C@@H](CNC(=O)C1=NN(C)C(=O)CC1)N1CCOCC1 ZINC000022970445 182343932 /nfs/dbraw/zinc/34/39/32/182343932.db2.gz ODMZFBWCDZJIOQ-ZDUSSCGKSA-N 0 0 324.425 0.458 50 0 DCAARN COc1ccc(N2C(=O)C[C@@H](N3CCN(C)CC3)C2=O)c(C)c1 ZINC000022972101 182344010 /nfs/dbraw/zinc/34/40/10/182344010.db2.gz CRYMOOIEMGZDEJ-OAHLLOKOSA-N 0 0 317.389 0.883 50 0 DCAARN COc1ccccc1NC(=O)C[C@H](C(=O)[O-])N1CC[NH2+]CC1 ZINC000022792392 182335047 /nfs/dbraw/zinc/33/50/47/182335047.db2.gz ZENNTIMRVJGGRA-GFCCVEGCSA-N 0 0 307.350 0.382 50 0 DCAARN NC(=O)CCN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000022910746 182340185 /nfs/dbraw/zinc/34/01/85/182340185.db2.gz KVJDMFFCFSHDBQ-UHFFFAOYSA-N 0 0 315.370 0.007 50 0 DCAARN Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ncn[nH]2)C(C)C)cc1 ZINC000023142738 182351611 /nfs/dbraw/zinc/35/16/11/182351611.db2.gz HSSUYLNRPHDJOQ-GFCCVEGCSA-N 0 0 301.350 0.928 50 0 DCAARN C[C@@H](OC(=O)CN(C)c1ncccn1)C(=O)NC1CCCC1 ZINC000023173925 182352744 /nfs/dbraw/zinc/35/27/44/182352744.db2.gz VWORCUVJBSPOHB-LLVKDONJSA-N 0 0 306.366 0.903 50 0 DCAARN CN1C2=C(C(=O)N(CCCO)C2)[C@@H](c2ccccc2)NC1=O ZINC000023424430 182361021 /nfs/dbraw/zinc/36/10/21/182361021.db2.gz ZJGYQJNBJKIEOD-CQSZACIVSA-N 0 0 301.346 0.861 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000024223069 182377153 /nfs/dbraw/zinc/37/71/53/182377153.db2.gz LPQWFOLOMHSZEK-UHFFFAOYSA-N 0 0 316.354 0.308 50 0 DCAARN O=C(C1CC1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000024002319 182372439 /nfs/dbraw/zinc/37/24/39/182372439.db2.gz PLGPXUDQEYSGOJ-UHFFFAOYSA-N 0 0 312.373 0.977 50 0 DCAARN CCOC(=O)C1=C(CSC2=NCCS2)NC(=O)NC1 ZINC000024038704 182373001 /nfs/dbraw/zinc/37/30/01/182373001.db2.gz JRCUGWJKRNZKPJ-UHFFFAOYSA-N 0 0 301.393 0.952 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000024807669 182391893 /nfs/dbraw/zinc/39/18/93/182391893.db2.gz WYMNTERJDALNFK-NSHDSACASA-N 0 0 311.345 0.867 50 0 DCAARN O=C(CNc1cc(F)ccc1F)N[C@@H]1CCS(=O)(=O)C1 ZINC000025894548 182424507 /nfs/dbraw/zinc/42/45/07/182424507.db2.gz NCJDHSOJBYPKSS-SECBINFHSA-N 0 0 304.318 0.680 50 0 DCAARN C[C@@H](NC(=O)N1CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000027339230 182469657 /nfs/dbraw/zinc/46/96/57/182469657.db2.gz GFAHMAAIXKDISR-SNVBAGLBSA-N 0 0 313.379 0.437 50 0 DCAARN CNC(=O)c1ccc(OCc2nc(N)nc(N(C)C)n2)cc1 ZINC000032783269 182664239 /nfs/dbraw/zinc/66/42/39/182664239.db2.gz SZUXJGNBHMTYKP-UHFFFAOYSA-N 0 0 302.338 0.458 50 0 DCAARN CNC(=O)[C@@H](C)N1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000032936338 182683488 /nfs/dbraw/zinc/68/34/88/182683488.db2.gz JHUCNIORUKMPSQ-GLEZIHRCSA-N 0 0 319.317 0.317 50 0 DCAARN Cc1nn(C)c2c1ccn(CC(=O)NC[C@@H]1CCCO1)c2=O ZINC000033171651 182695542 /nfs/dbraw/zinc/69/55/42/182695542.db2.gz PZHBTBGGYNZOGD-NSHDSACASA-N 0 0 304.350 0.339 50 0 DCAARN Cc1cc(=O)n(CC(=O)NCCOc2ccc(F)cc2)cn1 ZINC000038509550 183001113 /nfs/dbraw/zinc/00/11/13/183001113.db2.gz JWOJTOYELLRLRP-UHFFFAOYSA-N 0 0 305.309 0.886 50 0 DCAARN Cc1nc(NC(=O)CCC(=O)N2CCNC(=O)C2)sc1C ZINC000040287230 183051056 /nfs/dbraw/zinc/05/10/56/183051056.db2.gz NKROYVUGTVLTDO-UHFFFAOYSA-N 0 0 310.379 0.437 50 0 DCAARN COc1ccc(NC(=O)C[C@@H]2Cn3ncnc3NC2=O)cc1 ZINC000040386471 183059123 /nfs/dbraw/zinc/05/91/23/183059123.db2.gz RAZBQSMHMCKEHX-SECBINFHSA-N 0 0 301.306 0.884 50 0 DCAARN COC(=O)c1c(C)[nH]c(C(=O)CN(C)CC(=O)N(C)C)c1C ZINC000040463168 183071053 /nfs/dbraw/zinc/07/10/53/183071053.db2.gz FACFDYZEMFCIQH-UHFFFAOYSA-N 0 0 309.366 0.621 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000040467989 183073442 /nfs/dbraw/zinc/07/34/42/183073442.db2.gz YUOXVMJLKQPSFV-JQWIXIFHSA-N 0 0 309.343 0.071 50 0 DCAARN CN(C(=O)c1cccnc1N1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000040473647 183073944 /nfs/dbraw/zinc/07/39/44/183073944.db2.gz YKFMYMOTAUTOAV-GFCCVEGCSA-N 0 0 323.418 0.941 50 0 DCAARN CNC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000040476226 183075102 /nfs/dbraw/zinc/07/51/02/183075102.db2.gz IKBPGZQZVNFVKZ-UHFFFAOYSA-N 0 0 319.333 0.611 50 0 DCAARN COc1ccc2c(c1)CCC[C@]21NC(=O)N(CCC(N)=O)C1=O ZINC000040477481 183076221 /nfs/dbraw/zinc/07/62/21/183076221.db2.gz XQUVHIAGNYFIIZ-INIZCTEOSA-N 0 0 317.345 0.654 50 0 DCAARN CCCn1nnnc1CN1CCC(C(=O)N2CCCC2)CC1 ZINC000040479401 183077031 /nfs/dbraw/zinc/07/70/31/183077031.db2.gz YCWZPSUCRQRFNM-UHFFFAOYSA-N 0 0 306.414 0.918 50 0 DCAARN Cc1nn(C)c2nc(C)cc(C(=O)NCC(=O)N3CCCC3)c12 ZINC000040488907 183079005 /nfs/dbraw/zinc/07/90/05/183079005.db2.gz HBCUBAFUQYKZPE-UHFFFAOYSA-N 0 0 315.377 0.937 50 0 DCAARN CCc1cc2c(ncn(C[C@@H](O)CN3CCOCC3)c2=O)s1 ZINC000040490197 183079919 /nfs/dbraw/zinc/07/99/19/183079919.db2.gz MTWHOFBFGGSDKC-NSHDSACASA-N 0 0 323.418 0.714 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000040512828 183088190 /nfs/dbraw/zinc/08/81/90/183088190.db2.gz DKXAJFLRFBXNAW-UHFFFAOYSA-N 0 0 310.375 0.339 50 0 DCAARN COc1ccc(OC)c([C@H](O)CNC(=O)c2ccc(=O)[nH]c2)c1 ZINC000040514152 183088918 /nfs/dbraw/zinc/08/89/18/183088918.db2.gz FWZDCAVQLQRWPM-CYBMUJFWSA-N 0 0 318.329 0.856 50 0 DCAARN CS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000040521783 183090668 /nfs/dbraw/zinc/09/06/68/183090668.db2.gz HHEUHISIJAOZCX-CYBMUJFWSA-N 0 0 324.402 0.630 50 0 DCAARN CN(C)c1ncccc1CNC(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000040525147 183092147 /nfs/dbraw/zinc/09/21/47/183092147.db2.gz PQCICDZBKXASBM-LBPRGKRZSA-N 0 0 302.378 0.775 50 0 DCAARN CC[C@@](C)(CNS(=O)(=O)c1cnn(C)c1)N1CCOCC1 ZINC000040528193 183093176 /nfs/dbraw/zinc/09/31/76/183093176.db2.gz JIACQVKLRMVFSZ-ZDUSSCGKSA-N 0 0 316.427 0.199 50 0 DCAARN Cc1cc(C)n(C[C@@H](C)CNC(=O)C2=NN(C)C(=O)CC2)n1 ZINC000040541182 183097830 /nfs/dbraw/zinc/09/78/30/183097830.db2.gz USKAVMVGXMYREA-JTQLQIEISA-N 0 0 305.382 0.860 50 0 DCAARN Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1S(C)(=O)=O ZINC000040549706 183100002 /nfs/dbraw/zinc/10/00/02/183100002.db2.gz JDTXGBXWDUKWQC-UHFFFAOYSA-N 0 0 324.402 0.736 50 0 DCAARN CC(=O)N1CCN(C(=O)c2csc(-c3cnn(C)c3)n2)CC1 ZINC000040553221 183100429 /nfs/dbraw/zinc/10/04/29/183100429.db2.gz MDEYDIGKCCKOMY-UHFFFAOYSA-N 0 0 319.390 0.848 50 0 DCAARN CN(C)c1ncc2c(=O)n(CCCN3CCOCC3)cc-2[nH]1 ZINC000041122969 183168539 /nfs/dbraw/zinc/16/85/39/183168539.db2.gz MEBUEKCYPGFMDI-UHFFFAOYSA-N 0 0 305.382 0.221 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)NCCc1c[nH]c2ccccc12 ZINC000041295394 183184426 /nfs/dbraw/zinc/18/44/26/183184426.db2.gz GIYCPAVXJVWHRA-CYBMUJFWSA-N 0 0 314.345 0.815 50 0 DCAARN COc1cc(C(=O)NC[C@@H]2CCOC2)ccc1OCC(N)=O ZINC000041372260 183187415 /nfs/dbraw/zinc/18/74/15/183187415.db2.gz JEOIKEAULLDKSN-JTQLQIEISA-N 0 0 308.334 0.326 50 0 DCAARN O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCN(Cc2ccco2)CC1 ZINC000041843172 183222253 /nfs/dbraw/zinc/22/22/53/183222253.db2.gz OIVQHALBOVYDTE-ZDUSSCGKSA-N 0 0 317.389 0.935 50 0 DCAARN CN(CCCNC(=O)c1cn2ccccc2n1)S(C)(=O)=O ZINC000041949439 183226869 /nfs/dbraw/zinc/22/68/69/183226869.db2.gz JBIVMOTZJIIEMH-UHFFFAOYSA-N 0 0 310.379 0.346 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc2nsnc2c1 ZINC000042383737 183262692 /nfs/dbraw/zinc/26/26/92/183262692.db2.gz MDQBERRKXNPXIP-MRVPVSSYSA-N 0 0 311.388 0.856 50 0 DCAARN CO[C@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)c1ccccc1 ZINC000042750968 183305142 /nfs/dbraw/zinc/30/51/42/183305142.db2.gz RFOZSVONHOPHQI-VXGBXAGGSA-N 0 0 305.334 0.479 50 0 DCAARN C[C@@H](OCCCNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1 ZINC000042853189 183314122 /nfs/dbraw/zinc/31/41/22/183314122.db2.gz NETZVWBDINGHHT-YPMHNXCESA-N 0 0 319.361 0.869 50 0 DCAARN C[C@H](OCC(F)(F)F)C(=O)NC1CCN(CC(N)=O)CC1 ZINC000043008277 183326941 /nfs/dbraw/zinc/32/69/41/183326941.db2.gz IRCLGHODMDCGMV-QMMMGPOBSA-N 0 0 311.304 0.020 50 0 DCAARN C[C@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1cccnc1 ZINC000043787501 183385721 /nfs/dbraw/zinc/38/57/21/183385721.db2.gz RHXORGFYYYJXQF-NSHDSACASA-N 0 0 312.395 0.429 50 0 DCAARN Cc1cc(CN(C)C(=O)[C@@H]2CCCN2S(C)(=O)=O)no1 ZINC000044916692 183457512 /nfs/dbraw/zinc/45/75/12/183457512.db2.gz MVQLRJNWNFZYHO-NSHDSACASA-N 0 0 301.368 0.365 50 0 DCAARN CS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCCC2)c1 ZINC000048290787 183639304 /nfs/dbraw/zinc/63/93/04/183639304.db2.gz RGTNCJOOBAKJAC-UHFFFAOYSA-N 0 0 310.375 0.442 50 0 DCAARN COc1ccc(OC)c(CCNC(=O)[C@@H]2CC(=O)N(C)C2)c1 ZINC000053348231 183899494 /nfs/dbraw/zinc/89/94/94/183899494.db2.gz CHOMYYRFDBKDJJ-GFCCVEGCSA-N 0 0 306.362 0.841 50 0 DCAARN CCNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]c(=O)n2CC ZINC000056491817 184013865 /nfs/dbraw/zinc/01/38/65/184013865.db2.gz HFBKTHHBAPPMAG-UHFFFAOYSA-N 0 0 302.334 0.732 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)NCc1ccsc1-n1cccc1 ZINC000056113667 184005423 /nfs/dbraw/zinc/00/54/23/184005423.db2.gz JYDNIXOFTHVULU-SNVBAGLBSA-N 0 0 318.358 0.753 50 0 DCAARN CCC(CC)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000058167806 184083763 /nfs/dbraw/zinc/08/37/63/184083763.db2.gz YQTWKARQAJUVKK-UHFFFAOYSA-N 0 0 306.432 0.309 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1cccc(Cl)c1 ZINC000058179115 184084784 /nfs/dbraw/zinc/08/47/84/184084784.db2.gz KYPYCJRAYADMGC-UHFFFAOYSA-N 0 0 306.771 0.462 50 0 DCAARN CCCCn1nnnc1CN1C(=O)CS/C1=C\C(=O)OC ZINC000058141475 184080562 /nfs/dbraw/zinc/08/05/62/184080562.db2.gz GOKVEFZAKZNAEY-WDZFZDKYSA-N 0 0 311.367 0.563 50 0 DCAARN CC[C@H](C)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000058356178 184108472 /nfs/dbraw/zinc/10/84/72/184108472.db2.gz RNQQIHQHRGEDPF-QMMMGPOBSA-N 0 0 311.363 0.635 50 0 DCAARN COC[C@@H](C)NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000058367515 184109461 /nfs/dbraw/zinc/10/94/61/184109461.db2.gz OVVFLXNWIUWAOS-SECBINFHSA-N 0 0 311.363 0.503 50 0 DCAARN CCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccsc2)C1=O ZINC000058293181 184101230 /nfs/dbraw/zinc/10/12/30/184101230.db2.gz HLVXYRQVYWLXRZ-ZDUSSCGKSA-N 0 0 324.362 0.361 50 0 DCAARN CCCCN(C)S(=O)(=O)NCCN1C[C@@H](C)O[C@H](C)C1 ZINC000058314751 184104245 /nfs/dbraw/zinc/10/42/45/184104245.db2.gz JCPBSDXWJACFMH-CHWSQXEVSA-N 0 0 307.460 0.662 50 0 DCAARN CCCCN(C)S(=O)(=O)N1CCC(c2nncn2C)CC1 ZINC000058323432 184104716 /nfs/dbraw/zinc/10/47/16/184104716.db2.gz HCNVDXJSUALKCS-UHFFFAOYSA-N 0 0 315.443 0.971 50 0 DCAARN CN(CC(N)=O)C(=O)[C@@H](c1ccccc1)N1CCSCC1 ZINC000058806832 184128660 /nfs/dbraw/zinc/12/86/60/184128660.db2.gz AMPZGCJGTPKEOY-CQSZACIVSA-N 0 0 307.419 0.720 50 0 DCAARN CCN(C(=O)CSC1=NCCS1)[C@@H]1CCS(=O)(=O)C1 ZINC000058406169 184113556 /nfs/dbraw/zinc/11/35/56/184113556.db2.gz ULDKDIAFCBKGMC-SECBINFHSA-N 0 0 322.477 0.858 50 0 DCAARN CC(C)NC(=O)[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1 ZINC000058429097 184117081 /nfs/dbraw/zinc/11/70/81/184117081.db2.gz VYYMTQIOQVCNJM-CQSZACIVSA-N 0 0 310.419 0.983 50 0 DCAARN O=C(Cn1cnnn1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000059852183 184141705 /nfs/dbraw/zinc/14/17/05/184141705.db2.gz FCSQYZGEQXZEQS-HNNXBMFYSA-N 0 0 315.333 0.712 50 0 DCAARN O=C(NCc1cccnc1)C(=O)Nc1cccc(-n2cnnc2)c1 ZINC000061719902 184185524 /nfs/dbraw/zinc/18/55/24/184185524.db2.gz XAXXRSMDIDBHON-UHFFFAOYSA-N 0 0 322.328 0.917 50 0 DCAARN COCCCNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O ZINC000002992177 284910915 /nfs/dbraw/zinc/91/09/15/284910915.db2.gz CUUCMYRZWMSVQX-LBPRGKRZSA-N 0 0 314.407 0.994 50 0 DCAARN O=C(OCc1cccc2c1OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000063238913 184279674 /nfs/dbraw/zinc/27/96/74/184279674.db2.gz MFZHILQLYSDZGP-LLVKDONJSA-N 0 0 312.343 0.936 50 0 DCAARN O=C(Cn1cnnn1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000063709144 184286926 /nfs/dbraw/zinc/28/69/26/184286926.db2.gz UYIRAYVRJAMBNQ-LLVKDONJSA-N 0 0 311.349 0.956 50 0 DCAARN CCc1nnc(-c2coc(S(=O)(=O)N3CCOCC3)c2)o1 ZINC000065246581 184318313 /nfs/dbraw/zinc/31/83/13/184318313.db2.gz QACJLFFZOVMYOK-UHFFFAOYSA-N 0 0 313.335 0.913 50 0 DCAARN CN1CCN(C(=O)Cn2cc(-c3ccccc3)oc2=O)CC1 ZINC000065255490 184318675 /nfs/dbraw/zinc/31/86/75/184318675.db2.gz XAWMWFJCMFWQSD-UHFFFAOYSA-N 0 0 301.346 0.882 50 0 DCAARN COc1ccc(N([C@@H](C)C(N)=O)S(C)(=O)=O)cc1OC ZINC000065364979 184328790 /nfs/dbraw/zinc/32/87/90/184328790.db2.gz UFQQLSJBQCZMFS-QMMMGPOBSA-N 0 0 302.352 0.344 50 0 DCAARN Cc1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCNCC3)cc12 ZINC000065365492 184329592 /nfs/dbraw/zinc/32/95/92/184329592.db2.gz GDLKAEWEOHFCHW-UHFFFAOYSA-N 0 0 307.375 0.430 50 0 DCAARN CCn1nc(C)c(NC(=O)CN2C[C@H](O)C[C@H]2C(=O)OC)c1C ZINC000065373516 184330797 /nfs/dbraw/zinc/33/07/97/184330797.db2.gz ANEVWTKALDCYAD-NEPJUHHUSA-N 0 0 324.381 0.067 50 0 DCAARN Cc1ccc([C@@H](C(=O)N2CCS(=O)(=O)CC2)N(C)C)cc1 ZINC000065384077 184332679 /nfs/dbraw/zinc/33/26/79/184332679.db2.gz WBMHQLUGMVBXLF-AWEZNQCLSA-N 0 0 310.419 0.855 50 0 DCAARN COC[C@@H](C)NC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000065423326 184342287 /nfs/dbraw/zinc/34/22/87/184342287.db2.gz SNPPLBMADLWSOD-SNVBAGLBSA-N 0 0 300.380 0.924 50 0 DCAARN NC(=O)Cn1cc(NC(=O)NC[C@H]2Cc3ccccc3O2)cn1 ZINC000065429313 184343279 /nfs/dbraw/zinc/34/32/79/184343279.db2.gz CZCUTDGHLSSLAX-GFCCVEGCSA-N 0 0 315.333 0.494 50 0 DCAARN C[C@@H](Cn1ccnc1)NC(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000065449755 184345872 /nfs/dbraw/zinc/34/58/72/184345872.db2.gz BKPOEHPOAYNSKS-QWHCGFSZSA-N 0 0 317.397 0.989 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)NCC(C)(C)N1CCOCC1 ZINC000065453112 184346645 /nfs/dbraw/zinc/34/66/45/184346645.db2.gz SQPJBRKZCUWNDS-ZDUSSCGKSA-N 0 0 309.414 0.682 50 0 DCAARN COC(=O)c1cc2n(n1)CCN(C(=O)CCN1CCCCO1)C2 ZINC000065451375 184346829 /nfs/dbraw/zinc/34/68/29/184346829.db2.gz CYZXOCXLDWBIKJ-UHFFFAOYSA-N 0 0 322.365 0.429 50 0 DCAARN COc1cc(CNC(=O)c2cnn(C)c2)ccc1OCC(N)=O ZINC000065490894 184353453 /nfs/dbraw/zinc/35/34/53/184353453.db2.gz GWGSLCMNNCMGCR-UHFFFAOYSA-N 0 0 318.333 0.223 50 0 DCAARN Cc1ccc2nc(CNC(=O)c3cc4n(n3)CCNC4)cn2c1 ZINC000065490896 184353860 /nfs/dbraw/zinc/35/38/60/184353860.db2.gz VPEDJXXUHBTZGH-UHFFFAOYSA-N 0 0 310.361 0.872 50 0 DCAARN CNc1nc(C(=O)N2CCn3nc(C(=O)OC)cc3C2)cs1 ZINC000065397589 184335631 /nfs/dbraw/zinc/33/56/31/184335631.db2.gz NZFLDRCYWOHUIE-UHFFFAOYSA-N 0 0 321.362 0.824 50 0 DCAARN Cc1nnc2n1C[C@@H](NC(=O)[C@H]1CC(=O)N(CC3CC3)C1)CC2 ZINC000065520825 184359139 /nfs/dbraw/zinc/35/91/39/184359139.db2.gz OJHUHZGZSJPKPK-STQMWFEESA-N 0 0 317.393 0.276 50 0 DCAARN COc1ccc([C@H](C)NC(=O)CC[C@@H]2NC(=O)NC2=O)cc1F ZINC000065611030 184373222 /nfs/dbraw/zinc/37/32/22/184373222.db2.gz XHTFJVBPYVUPCW-KWQFWETISA-N 0 0 323.324 1.000 50 0 DCAARN Cc1cc(C)n(CC(=O)NCC(=O)N(C)Cc2ccncc2)n1 ZINC000065604853 184371675 /nfs/dbraw/zinc/37/16/75/184371675.db2.gz UQDRHZGOIKTRMH-UHFFFAOYSA-N 0 0 315.377 0.670 50 0 DCAARN CCc1nnc2n1CCN(C(=O)[C@H](C)OC[C@H]1CCCO1)C2 ZINC000069485230 184518511 /nfs/dbraw/zinc/51/85/11/184518511.db2.gz JNAAELHIZMEKNO-NWDGAFQWSA-N 0 0 308.382 0.767 50 0 DCAARN CCOc1cc(C)nc(N2CCN(C(=O)[C@@H]3CCOC3)CC2)n1 ZINC000069513816 184521609 /nfs/dbraw/zinc/52/16/09/184521609.db2.gz AVNMQZLISRKBFI-CYBMUJFWSA-N 0 0 320.393 0.869 50 0 DCAARN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc(C(C)C)on1 ZINC000332706599 252664885 /nfs/dbraw/zinc/66/48/85/252664885.db2.gz YAYQNOVIPNOXEN-JTQLQIEISA-N 0 0 315.395 0.952 50 0 DCAARN CC(C)[C@H](NC(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)C(F)(F)F ZINC000333793857 252764416 /nfs/dbraw/zinc/76/44/16/252764416.db2.gz MVMHJLVXADOBJB-QXEWZRGKSA-N 0 0 323.315 0.872 50 0 DCAARN C[C@H]1C[C@@H](O)CN1CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000340903764 253320243 /nfs/dbraw/zinc/32/02/43/253320243.db2.gz IWIQRHMEDFHBAY-SMDDNHRTSA-N 0 0 305.378 0.782 50 0 DCAARN OCCN1CCOCCOc2ccccc2OCCOCC1 ZINC000004566328 285260919 /nfs/dbraw/zinc/26/09/19/285260919.db2.gz POKAHCYUKRTNBE-UHFFFAOYSA-N 0 0 311.378 0.785 50 0 DCAARN Cc1ccncc1CCCN1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000289557007 221065090 /nfs/dbraw/zinc/06/50/90/221065090.db2.gz GPPPJBAOUNKWAH-INIZCTEOSA-N 0 0 320.437 0.441 50 0 DCAARN CCN1CN(C(=O)NCCc2nn(C)c3ccccc23)CC1=O ZINC000225388542 256595250 /nfs/dbraw/zinc/59/52/50/256595250.db2.gz QGBSFLMCFVSCTF-UHFFFAOYSA-N 0 0 315.377 0.947 50 0 DCAARN CN(CC(N)=O)CC(=O)Nc1ccccc1Br ZINC000008120868 257230298 /nfs/dbraw/zinc/23/02/98/257230298.db2.gz JGFUESYXLYKUPN-UHFFFAOYSA-N 0 0 300.156 0.805 50 0 DCAARN COC(=O)CC1CCN(C(=O)COc2c[nH]c(C)cc2=O)CC1 ZINC000524735763 257213521 /nfs/dbraw/zinc/21/35/21/257213521.db2.gz XHXUWWNOKZGFSG-UHFFFAOYSA-N 0 0 322.361 0.864 50 0 DCAARN COCCc1nnc(SCCN2C[C@@H](C)O[C@@H](C)C2)n1N ZINC000521395174 257240919 /nfs/dbraw/zinc/24/09/19/257240919.db2.gz UEKIAJNJXFJYER-PHIMTYICSA-N 0 0 315.443 0.382 50 0 DCAARN CCC(=O)NCc1cc2n(n1)CCN(Cc1nonc1C)C2 ZINC000426685460 257243978 /nfs/dbraw/zinc/24/39/78/257243978.db2.gz VLYGPQLRSOVCRC-UHFFFAOYSA-N 0 0 304.354 0.617 50 0 DCAARN N=C1NC(=O)C2(CCN(C(=O)C3Cc4ccccc4C3)CC2)N1 ZINC000426612892 257245268 /nfs/dbraw/zinc/24/52/68/257245268.db2.gz QFQZXTOMKRBYBB-UHFFFAOYSA-N 0 0 312.373 0.417 50 0 DCAARN C[C@@H](C(=O)N1CCNC(=O)CC1)c1n[nH]c(=O)c2ccccc21 ZINC000426604507 257245350 /nfs/dbraw/zinc/24/53/50/257245350.db2.gz NTGLWMLTNQKIOS-SNVBAGLBSA-N 0 0 314.345 0.787 50 0 DCAARN Cc1nnc(CNC(=O)N2CCN(c3cccnc3)CC2)[nH]1 ZINC000426596446 257245759 /nfs/dbraw/zinc/24/57/59/257245759.db2.gz GYRCNRBRIZKWHL-UHFFFAOYSA-N 0 0 301.354 0.540 50 0 DCAARN COc1cccc(-n2c(C[NH3+])nnc2SC[C@H](O)CO)c1 ZINC000426563541 257246416 /nfs/dbraw/zinc/24/64/16/257246416.db2.gz ZHKPIRVMLPBRSN-SNVBAGLBSA-N 0 0 310.379 0.180 50 0 DCAARN Cc1nonc1OCCNC(=O)Cc1nc2ccccc2[nH]1 ZINC000426544250 257246682 /nfs/dbraw/zinc/24/66/82/257246682.db2.gz BMEUMZHVXVZFOA-UHFFFAOYSA-N 0 0 301.306 0.992 50 0 DCAARN CC(C)C[NH+]1CCC(CNC(=O)NCc2n[nH]c(=O)[n-]2)CC1 ZINC000426535490 257246711 /nfs/dbraw/zinc/24/67/11/257246711.db2.gz MOKDLXPPFDHHIP-UHFFFAOYSA-N 0 0 310.402 0.678 50 0 DCAARN CC(C)n1cnnc1CN(C)C(=O)NCCSc1c[nH]nn1 ZINC000426535891 257246875 /nfs/dbraw/zinc/24/68/75/257246875.db2.gz OGSBZONWRDQRLV-UHFFFAOYSA-N 0 0 324.414 0.911 50 0 DCAARN O=C(NCCc1nc2cc(Cl)ccc2[nH]1)NC[C@@H](O)CO ZINC000426544600 257246938 /nfs/dbraw/zinc/24/69/38/257246938.db2.gz ALBCUNYIJCXNEW-SECBINFHSA-N 0 0 312.757 0.411 50 0 DCAARN NC(=O)c1cnc2n1CCN(C(=O)c1onc3c1CCCC3)C2 ZINC000426517528 257247705 /nfs/dbraw/zinc/24/77/05/257247705.db2.gz CUERYIKUDBWTHN-UHFFFAOYSA-N 0 0 315.333 0.505 50 0 DCAARN Cn1nnnc1SCCNC(=O)N[C@@H](CO)c1ccccc1 ZINC000426529212 257247762 /nfs/dbraw/zinc/24/77/62/257247762.db2.gz GNCMMHBJKCUSAP-NSHDSACASA-N 0 0 322.394 0.335 50 0 DCAARN COc1cccc(OC[C@H](O)CNC(=O)NC2CCOCC2)c1 ZINC000426521469 257247865 /nfs/dbraw/zinc/24/78/65/257247865.db2.gz PTXWQKUTJKASLF-CYBMUJFWSA-N 0 0 324.377 0.913 50 0 DCAARN CN1CC[NH+](C[C@H]2CCCN(C(=O)CCCC(=O)[O-])C2)CC1 ZINC000426500100 257248204 /nfs/dbraw/zinc/24/82/04/257248204.db2.gz LZKCDALKUUCVJX-CQSZACIVSA-N 0 0 311.426 0.727 50 0 DCAARN Cc1nc2c([nH]1)CCN(C(=O)NCC(C)(C)N1CCOCC1)C2 ZINC000426503073 257248816 /nfs/dbraw/zinc/24/88/16/257248816.db2.gz RGZYRRIUJQDLJN-UHFFFAOYSA-N 0 0 321.425 0.897 50 0 DCAARN CN1CCN(CC(=O)N2CCC(O)(c3cccnc3)CC2)C1=O ZINC000426486122 257249544 /nfs/dbraw/zinc/24/95/44/257249544.db2.gz YHAZGTXYPLJFPH-UHFFFAOYSA-N 0 0 318.377 0.259 50 0 DCAARN O=C(N[C@@H]1CCCN(C(=O)C2CC2)C1)c1cccn2cnnc12 ZINC000426435375 257249999 /nfs/dbraw/zinc/24/99/99/257249999.db2.gz JPVXUMMGYPIXAQ-GFCCVEGCSA-N 0 0 313.361 0.860 50 0 DCAARN CCCN1C[C@H](C(=O)N2CCN(c3nc[nH]n3)CC2)CCC1=O ZINC000426412779 257251098 /nfs/dbraw/zinc/25/10/98/257251098.db2.gz SHQKUJUZRDUDDS-GFCCVEGCSA-N 0 0 320.397 0.102 50 0 DCAARN CC(C)n1nccc1C(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000426420088 257251619 /nfs/dbraw/zinc/25/16/19/257251619.db2.gz XUIQARMOPFFWPF-UHFFFAOYSA-N 0 0 303.370 0.540 50 0 DCAARN O=C(N[C@@H]1CCN(Cc2cscn2)C[C@H]1O)c1ccc[nH]1 ZINC000426412756 257251798 /nfs/dbraw/zinc/25/17/98/257251798.db2.gz QZPDFKOLXLZAPA-DGCLKSJQSA-N 0 0 306.391 0.836 50 0 DCAARN CC(C)S(=O)(=O)N1CCC(Cn2cc([C@@H](C)O)nn2)CC1 ZINC000023191910 257269056 /nfs/dbraw/zinc/26/90/56/257269056.db2.gz VLYAGORTUUAKNO-LLVKDONJSA-N 0 0 316.427 0.782 50 0 DCAARN CCc1nnnn1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000071839296 184863630 /nfs/dbraw/zinc/86/36/30/184863630.db2.gz QSIRWIKUNYYCEH-CYBMUJFWSA-N 0 0 319.340 0.975 50 0 DCAARN NC(=O)C(NC(=O)c1cc(-c2ccc(Cl)cc2)on1)C(N)=O ZINC000071795596 184843587 /nfs/dbraw/zinc/84/35/87/184843587.db2.gz MPKOAPOXUXPGKS-UHFFFAOYSA-N 0 0 322.708 0.064 50 0 DCAARN O=C(Cc1ccccn1)N1CCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC000071799490 184845604 /nfs/dbraw/zinc/84/56/04/184845604.db2.gz IWMGMORVLWSCLZ-HNNXBMFYSA-N 0 0 317.389 0.864 50 0 DCAARN C[S@](=O)c1nncn1CC(=O)NCc1ccc(Cl)cc1 ZINC000071804146 184847262 /nfs/dbraw/zinc/84/72/62/184847262.db2.gz FJKXIRRTHXNBLZ-HXUWFJFHSA-N 0 0 312.782 0.985 50 0 DCAARN C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000071883532 184886953 /nfs/dbraw/zinc/88/69/53/184886953.db2.gz VXRLGLDBQHRKSI-WPRPVWTQSA-N 0 0 312.320 0.717 50 0 DCAARN COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)C=C(C)C ZINC000408523907 533437128 /nfs/dbraw/zinc/43/71/28/533437128.db2.gz VZITUWJHNYSCDK-QWRGUYRKSA-N 0 0 314.407 0.922 50 0 DCAARN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)COc2cccnc2)C1 ZINC000284692467 131104711 /nfs/dbraw/zinc/10/47/11/131104711.db2.gz XWIZBVFHGGGHRT-OLZOCXBDSA-N 0 0 317.349 0.876 50 0 DCAARN Cc1nn(C)c(C)c1CC(=O)N1CCN(c2ncccn2)CC1 ZINC000010042786 134494732 /nfs/dbraw/zinc/49/47/32/134494732.db2.gz REOVXGGAPHUPMU-UHFFFAOYSA-N 0 0 314.393 0.718 50 0 DCAARN C[C@H]1NC(C(=O)N2CCO[C@@H](C)C2)=NN(c2ccccc2)C1=O ZINC000032920240 134684178 /nfs/dbraw/zinc/68/41/78/134684178.db2.gz DOQUTMKGDJRIJM-NWDGAFQWSA-N 0 0 316.361 0.572 50 0 DCAARN CCn1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cn1 ZINC000035884183 134694272 /nfs/dbraw/zinc/69/42/72/134694272.db2.gz DJSOLLVFNUYNMQ-UHFFFAOYSA-N 0 0 321.406 0.809 50 0 DCAARN COC(=O)C1=CNC(=O)C([C@@H](CC(N)=O)c2ccncc2)C1=O ZINC000253623801 292030854 /nfs/dbraw/zinc/03/08/54/292030854.db2.gz MGTFNGFFDVJTPJ-VIFPVBQESA-N 0 0 317.301 0.682 50 0 biogenic DCAARN COC(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000008327542 395684430 /nfs/dbraw/zinc/68/44/30/395684430.db2.gz MPQNCNCWPUJRPF-UHFFFAOYSA-N 0 0 303.336 0.545 50 0 DCAARN Nc1c(C(=O)CSc2ccccn2)c(=O)[nH]c(=O)n1C1CC1 ZINC000008395661 395684481 /nfs/dbraw/zinc/68/44/81/395684481.db2.gz QGTGANDQQOLTLB-UHFFFAOYSA-N 0 0 318.358 0.824 50 0 DCAARN COc1ccc(C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)cn1 ZINC000008515970 395684638 /nfs/dbraw/zinc/68/46/38/395684638.db2.gz AIMZNCWKVXLCMW-NSHDSACASA-N 0 0 321.333 0.113 50 0 DCAARN CCOc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCO)C3)cc1 ZINC000008878090 395684988 /nfs/dbraw/zinc/68/49/88/395684988.db2.gz XNJHAUOXVMNALK-AWEZNQCLSA-N 0 0 317.345 0.528 50 0 DCAARN CCCS(=O)(=O)NCCn1nc(-c2ccco2)ccc1=O ZINC000008954678 395685093 /nfs/dbraw/zinc/68/50/93/395685093.db2.gz JYBGFMWOYXELBC-UHFFFAOYSA-N 0 0 311.363 0.833 50 0 DCAARN Cn1c(=O)cc(CNC(=O)c2cc3ccccc3[nH]2)n(C)c1=O ZINC000009305234 395685244 /nfs/dbraw/zinc/68/52/44/395685244.db2.gz MSTAXLDRTZOMOF-UHFFFAOYSA-N 0 0 312.329 0.495 50 0 DCAARN O=C(CNc1nc(Cl)nc2nc[nH]c21)NC[C@H]1CCCO1 ZINC000009481738 395685457 /nfs/dbraw/zinc/68/54/57/395685457.db2.gz QRGQJCYOHPXJDQ-SSDOTTSWSA-N 0 0 310.745 0.713 50 0 DCAARN Nc1nc(N)nc(CN2C(=O)NC3(CCCCCC3)C2=O)n1 ZINC000010032480 395685861 /nfs/dbraw/zinc/68/58/61/395685861.db2.gz WHNSDKNSAYWAOZ-UHFFFAOYSA-N 0 0 305.342 0.181 50 0 DCAARN COCCNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000010220957 395685983 /nfs/dbraw/zinc/68/59/83/395685983.db2.gz UKTAXHKAJHYSMO-UHFFFAOYSA-N 0 0 305.334 0.515 50 0 DCAARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)OCc1nc(N)nc(N)n1 ZINC000010955423 395686343 /nfs/dbraw/zinc/68/63/43/395686343.db2.gz XAQXGSBDKWGTCX-WRWORJQWSA-N 0 0 317.305 0.308 50 0 DCAARN COCCNC(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 ZINC000011098769 395686349 /nfs/dbraw/zinc/68/63/49/395686349.db2.gz GJOPGENRDFNDKV-GFCCVEGCSA-N 0 0 319.361 0.761 50 0 DCAARN CCNC(=O)NC(=O)[C@@H](C)Sc1ncnc2c1cnn2C ZINC000011680500 395686859 /nfs/dbraw/zinc/68/68/59/395686859.db2.gz SXWQEPNVLLOTNC-SSDOTTSWSA-N 0 0 308.367 0.690 50 0 DCAARN O=C(COC(=O)CN1CCCCCC1=O)NCc1ccco1 ZINC000011875381 395687015 /nfs/dbraw/zinc/68/70/15/395687015.db2.gz SZSMEYYSCYLZCQ-UHFFFAOYSA-N 0 0 308.334 0.842 50 0 DCAARN CCc1ccc(S(=O)(=O)NCCn2ncccc2=O)cc1 ZINC000011856350 395687020 /nfs/dbraw/zinc/68/70/20/395687020.db2.gz VIQGINJFXFDFOC-UHFFFAOYSA-N 0 0 307.375 0.784 50 0 DCAARN O=C(c1ccccc1-n1cnnn1)N1CCC2(CC1)OCCO2 ZINC000012390109 395687558 /nfs/dbraw/zinc/68/75/58/395687558.db2.gz HSSAYGLUSSQETO-UHFFFAOYSA-N 0 0 315.333 0.641 50 0 DCAARN CC(C)C(=O)NCCNS(=O)(=O)c1cccc2nonc21 ZINC000012391255 395687607 /nfs/dbraw/zinc/68/76/07/395687607.db2.gz CABGSVQOOSXNJO-UHFFFAOYSA-N 0 0 312.351 0.273 50 0 DCAARN COC(=O)Cn1nc(C(=O)NC2CC2)c2ccccc2c1=O ZINC000012417664 395687611 /nfs/dbraw/zinc/68/76/11/395687611.db2.gz XLPGQSZEJWEVPX-UHFFFAOYSA-N 0 0 301.302 0.462 50 0 DCAARN CCc1cc(CC)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C)n1 ZINC000012518804 395687695 /nfs/dbraw/zinc/68/76/95/395687695.db2.gz MBJYILWXLYNWNI-UHFFFAOYSA-N 0 0 316.365 0.281 50 0 DCAARN O=C(n1ccnc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012507794 395687696 /nfs/dbraw/zinc/68/76/96/395687696.db2.gz RCQBDGREYASEAO-UHFFFAOYSA-N 0 0 320.374 0.858 50 0 DCAARN CCc1nnsc1C(=O)N1CCN(c2ncccn2)CC1 ZINC000012848975 395687974 /nfs/dbraw/zinc/68/79/74/395687974.db2.gz JXDOZOSDJCMYPP-UHFFFAOYSA-N 0 0 304.379 0.853 50 0 DCAARN Cc1ccnc2nc(C(=O)N3CCN(c4ncccn4)CC3)nn21 ZINC000012976698 395688280 /nfs/dbraw/zinc/68/82/80/395688280.db2.gz MGSSOPZSUPKJHS-UHFFFAOYSA-N 0 0 324.348 0.185 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N[C@H](C)c1ccccc1 ZINC000013581986 395688636 /nfs/dbraw/zinc/68/86/36/395688636.db2.gz AJWUINJMCUABBG-MRVPVSSYSA-N 0 0 309.347 0.411 50 0 DCAARN COCCNC(=O)CNC(=O)c1cn2cc(Cl)ccc2n1 ZINC000013683580 395688861 /nfs/dbraw/zinc/68/88/61/395688861.db2.gz DSEBCYGUWJBNHX-UHFFFAOYSA-N 0 0 310.741 0.480 50 0 DCAARN COc1cc(OC)c(C(=O)NCCN2CCOCC2)cc1OC ZINC000013744218 395688915 /nfs/dbraw/zinc/68/89/15/395688915.db2.gz MUCVYMQQZANZRO-UHFFFAOYSA-N 0 0 324.377 0.774 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000014098119 395689048 /nfs/dbraw/zinc/68/90/48/395689048.db2.gz QTXKGCJNMKPGAS-LLVKDONJSA-N 0 0 309.347 0.796 50 0 DCAARN CCCc1cc(=O)[nH]c(SCc2cc(=O)n(C)c(=O)n2C)n1 ZINC000014084885 395689057 /nfs/dbraw/zinc/68/90/57/395689057.db2.gz LPCDWHKHLFWHQL-UHFFFAOYSA-N 0 0 322.390 0.824 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(N)=O)CC2)cc1 ZINC000014125452 395689209 /nfs/dbraw/zinc/68/92/09/395689209.db2.gz ZQTSHHAANATDFG-UHFFFAOYSA-N 0 0 311.407 0.177 50 0 DCAARN COc1ccccc1O[C@H]1C(=O)N=C(c2ncccn2)NC1=O ZINC000015022129 395689748 /nfs/dbraw/zinc/68/97/48/395689748.db2.gz ZJMPECSQUMNGPA-UHFFFAOYSA-N 0 0 312.285 0.336 50 0 DCAARN O=C1[C@H]2Cc3ccccc3CN2C(=O)N1[C@@H]1CCS(=O)(=O)C1 ZINC000016031207 395690205 /nfs/dbraw/zinc/69/02/05/395690205.db2.gz WPKUKLQILSUIFX-CHWSQXEVSA-N 0 0 320.370 0.563 50 0 DCAARN CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCOC ZINC000019925678 395691236 /nfs/dbraw/zinc/69/12/36/395691236.db2.gz AEGADAHDRKDLEL-ZDUSSCGKSA-N 0 0 314.407 0.815 50 0 DCAARN C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N1CCOCC1 ZINC000025501805 395693415 /nfs/dbraw/zinc/69/34/15/395693415.db2.gz VCOOXUNRMMEHJH-STQMWFEESA-N 0 0 306.362 0.663 50 0 DCAARN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@]3(CO)O2)cc1 ZINC000000210893 395680063 /nfs/dbraw/zinc/68/00/63/395680063.db2.gz PEHNGVCKIJVITR-VWPFQQQWSA-N 0 0 313.309 0.695 50 0 DCAARN CCS(=O)(=O)N1CCN(C(=O)c2ccccc2OC)CC1 ZINC000000252447 395680078 /nfs/dbraw/zinc/68/00/78/395680078.db2.gz IKDRWLAYEOPDDP-UHFFFAOYSA-N 0 0 312.391 0.803 50 0 DCAARN CCOC(=O)N1CCOCCN(C(=O)OCC)CCOCC1 ZINC000000242362 395680087 /nfs/dbraw/zinc/68/00/87/395680087.db2.gz JHEBQDQAUNXIAL-UHFFFAOYSA-N 0 0 318.370 0.950 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1-n1cnnn1 ZINC000000381996 395680316 /nfs/dbraw/zinc/68/03/16/395680316.db2.gz XKOJBOADBFAPHL-UHFFFAOYSA-N 0 0 323.378 0.300 50 0 DCAARN Cn1c2nc(N)n(Cc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000000494920 395680383 /nfs/dbraw/zinc/68/03/83/395680383.db2.gz PIGBZEIFUXTPAD-UHFFFAOYSA-N 0 0 305.725 0.707 50 0 DCAARN CC(C)OC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000000545315 395680528 /nfs/dbraw/zinc/68/05/28/395680528.db2.gz ODFODHMLWHLQBT-IQNXINDISA-N 0 0 321.373 0.899 50 0 DCAARN O=C(c1ccco1)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000000543910 395680571 /nfs/dbraw/zinc/68/05/71/395680571.db2.gz RQVWZKUKRPRLSO-UHFFFAOYSA-N 0 0 302.290 0.373 50 0 DCAARN O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)NCCO ZINC000002347714 395681450 /nfs/dbraw/zinc/68/14/50/395681450.db2.gz BIDDUCIJVMPASE-FLIBITNWSA-N 0 0 306.343 0.831 50 0 DCAARN O=C(CN1CCNC(=O)C1)Nc1ccccc1Br ZINC000002649715 395681628 /nfs/dbraw/zinc/68/16/28/395681628.db2.gz KKVHCXIQLAKPRX-UHFFFAOYSA-N 0 0 312.167 0.819 50 0 DCAARN O=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1ccccc1F ZINC000002638092 395681644 /nfs/dbraw/zinc/68/16/44/395681644.db2.gz CQSLUZGRZVCAJC-UHFFFAOYSA-N 0 0 307.237 0.410 50 0 DCAARN COc1cc(OC)cc(C(=O)NCC(=O)O[C@H]2CCOC2=O)c1 ZINC000002658577 395681827 /nfs/dbraw/zinc/68/18/27/395681827.db2.gz CLSSJHSBQJQNDV-LBPRGKRZSA-N 0 0 323.301 0.292 50 0 DCAARN CCn1cc(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cn1 ZINC000002807920 395681882 /nfs/dbraw/zinc/68/18/82/395681882.db2.gz PVADPESKZNWNSH-LBPRGKRZSA-N 0 0 314.411 0.191 50 0 DCAARN CNC(=O)c1nn(C)cc1NC(=O)Cn1cc(Cl)c(C)n1 ZINC000002800778 395681982 /nfs/dbraw/zinc/68/19/82/395681982.db2.gz WJGAJWULQPFATL-UHFFFAOYSA-N 0 0 310.745 0.577 50 0 DCAARN CCc1nn2c(nc(CSc3nnnn3C)cc2=O)s1 ZINC000007985412 395683854 /nfs/dbraw/zinc/68/38/54/395683854.db2.gz PGBSCFBFYOMQHQ-UHFFFAOYSA-N 0 0 309.380 0.529 50 0 DCAARN Cn1ccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)n1 ZINC000029956259 395701142 /nfs/dbraw/zinc/70/11/42/395701142.db2.gz ANKWXEIRMNUUBM-UHFFFAOYSA-N 0 0 313.317 0.864 50 0 DCAARN O=C(NCCCn1ncccc1=O)c1cc2n(n1)CCCO2 ZINC000085555266 395701504 /nfs/dbraw/zinc/70/15/04/395701504.db2.gz HBZXZSOZSDXFGJ-UHFFFAOYSA-N 0 0 303.322 0.042 50 0 DCAARN COCCn1c(C)cc(C(=O)CN2CCS(=O)CC2)c1C ZINC000085793398 395702189 /nfs/dbraw/zinc/70/21/89/395702189.db2.gz CIENYFJILAXJHI-UHFFFAOYSA-N 0 0 312.435 0.998 50 0 DCAARN CC(=O)Nc1nc(C(=O)NCCNc2cnccn2)cs1 ZINC000030882284 395704665 /nfs/dbraw/zinc/70/46/65/395704665.db2.gz AFNDTLNIBCILEK-UHFFFAOYSA-N 0 0 306.351 0.733 50 0 DCAARN C[C@H](c1ccc(OC(F)(F)F)cc1)N(CC(N)=O)CC(N)=O ZINC000031469789 395706754 /nfs/dbraw/zinc/70/67/54/395706754.db2.gz SWVDVVMBENAZQR-MRVPVSSYSA-N 0 0 319.283 0.919 50 0 DCAARN Cc1ccc(-c2nnn(Cc3nc(N)nc(N(C)C)n3)n2)cc1 ZINC000031649181 395707732 /nfs/dbraw/zinc/70/77/32/395707732.db2.gz CHXNJJLMQZYPQI-UHFFFAOYSA-N 0 0 311.353 0.530 50 0 DCAARN COC(=O)Cn1c(=O)nc2n1C(=O)N(c1ccc(OC)cc1)C2 ZINC000032089060 395708931 /nfs/dbraw/zinc/70/89/31/395708931.db2.gz GTTMGYVVRAMPLA-UHFFFAOYSA-N 0 0 318.289 0.215 50 0 DCAARN C[C@@H](O)CNC(=O)c1nc(COc2ccc3c(c2)OCO3)no1 ZINC000032104256 395709389 /nfs/dbraw/zinc/70/93/89/395709389.db2.gz QZMVPSCSQHZFBF-MRVPVSSYSA-N 0 0 321.289 0.488 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)[nH]1 ZINC000089289732 395709412 /nfs/dbraw/zinc/70/94/12/395709412.db2.gz IQOFHJBAEQBRGY-LBPRGKRZSA-N 0 0 318.381 0.944 50 0 DCAARN COC[C@H](O)CN(C)C(=O)NCCc1ccc2c(c1)OCO2 ZINC000089340099 395709751 /nfs/dbraw/zinc/70/97/51/395709751.db2.gz HKIMZDPUVHFETG-GFCCVEGCSA-N 0 0 310.350 0.607 50 0 DCAARN CN(C)C(=O)[C@@H]1CN(Cc2ccon2)CCN1Cc1ccon1 ZINC000089310387 395709754 /nfs/dbraw/zinc/70/97/54/395709754.db2.gz ZXYBYCNLLQJDOO-AWEZNQCLSA-N 0 0 319.365 0.437 50 0 DCAARN CN(C(=O)NC[C@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 ZINC000089335161 395709821 /nfs/dbraw/zinc/70/98/21/395709821.db2.gz VKVGFNVBWCOXPM-CHWSQXEVSA-N 0 0 324.402 0.819 50 0 DCAARN CN(CC(=O)NCc1ccc2c(c1)OCO2)Cc1cnn(C)c1 ZINC000032539582 395711334 /nfs/dbraw/zinc/71/13/34/395711334.db2.gz ZZMDKHXLKXKBCI-UHFFFAOYSA-N 0 0 316.361 0.897 50 0 DCAARN COc1ccc([C@@H](O)CNC(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000089438843 395711820 /nfs/dbraw/zinc/71/18/20/395711820.db2.gz NXEVUEKGWBXOQV-KBPBESRZSA-N 0 0 321.377 0.697 50 0 DCAARN CCNC(=O)CNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000032759691 395713421 /nfs/dbraw/zinc/71/34/21/395713421.db2.gz XNOLMNXTDMHGNY-NSHDSACASA-N 0 0 323.418 0.853 50 0 DCAARN COc1ccc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000032771412 395713436 /nfs/dbraw/zinc/71/34/36/395713436.db2.gz KMMBJCGKRLBHPM-JTQLQIEISA-N 0 0 319.404 0.408 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)o1 ZINC000032827645 395713677 /nfs/dbraw/zinc/71/36/77/395713677.db2.gz REBOGYJKRMORPQ-UHFFFAOYSA-N 0 0 300.258 0.822 50 0 DCAARN CC(=O)N1CCN([C@@H]2CN(Cc3nc(C)no3)C[C@@H]2C)CC1 ZINC000089721138 395714408 /nfs/dbraw/zinc/71/44/08/395714408.db2.gz DQIRDMDKSXSZAP-SMDDNHRTSA-N 0 0 307.398 0.362 50 0 DCAARN O=C1CCCN1CCN1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000089818769 395715212 /nfs/dbraw/zinc/71/52/12/395715212.db2.gz CHIDPUWZXUMZMQ-QWHCGFSZSA-N 0 0 300.424 0.650 50 0 DCAARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccccn1 ZINC000032998088 395715462 /nfs/dbraw/zinc/71/54/62/395715462.db2.gz UMWPBELURDFKDT-CHWSQXEVSA-N 0 0 301.346 0.873 50 0 DCAARN CCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000032999481 395715734 /nfs/dbraw/zinc/71/57/34/395715734.db2.gz PLKKSJPBAJSCIL-UHFFFAOYSA-N 0 0 318.420 0.448 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)NCc1nnc2ccccn21 ZINC000089900542 395716359 /nfs/dbraw/zinc/71/63/59/395716359.db2.gz VEKYBNSUICQFJG-LBPRGKRZSA-N 0 0 318.381 0.249 50 0 DCAARN C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)c1nc(-c2ccc(F)cc2)no1 ZINC000089913665 395716485 /nfs/dbraw/zinc/71/64/85/395716485.db2.gz UAMFINACYAIVGI-XCBNKYQSSA-N 0 0 319.296 0.734 50 0 DCAARN CCCNC(=O)Cn1c(=O)ccn(Cc2ccc(F)cc2)c1=O ZINC000033331020 395717144 /nfs/dbraw/zinc/71/71/44/395717144.db2.gz WMTBWCNVOXLOLG-UHFFFAOYSA-N 0 0 319.336 0.724 50 0 DCAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NC)C(=O)CO2 ZINC000035377118 395720287 /nfs/dbraw/zinc/72/02/87/395720287.db2.gz IVBWFQZRULGDPW-UHFFFAOYSA-N 0 0 319.361 0.640 50 0 DCAARN NC(=O)[C@@H]1CCCCN1CN1C(=O)NC2(CCCCCC2)C1=O ZINC000035362387 395720308 /nfs/dbraw/zinc/72/03/08/395720308.db2.gz AHJSCISGOYEDTH-LBPRGKRZSA-N 0 0 322.409 0.929 50 0 DCAARN O=C(CN1CCN(C(=O)CCc2ccco2)CC1)NC1CC1 ZINC000035326304 395720342 /nfs/dbraw/zinc/72/03/42/395720342.db2.gz UKYYEQJSCIPUBR-UHFFFAOYSA-N 0 0 305.378 0.635 50 0 DCAARN Cn1c(=O)c2ccccc2nc1C(=O)NCC(=O)N1CCCC1 ZINC000036360138 395723390 /nfs/dbraw/zinc/72/33/90/395723390.db2.gz DOWFAHLUKNQZKL-UHFFFAOYSA-N 0 0 314.345 0.286 50 0 DCAARN Cc1nn(C)cc1CNC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000028236624 395695962 /nfs/dbraw/zinc/69/59/62/395695962.db2.gz AQWXMEHFHIUHRL-UHFFFAOYSA-N 0 0 311.349 0.563 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@H]2CCCO2)cc1 ZINC000028327790 395696003 /nfs/dbraw/zinc/69/60/03/395696003.db2.gz LZMYRHLJZDRNBW-GXFFZTMASA-N 0 0 312.391 0.892 50 0 DCAARN Cc1nc2ccccc2c(C)c1CC(=O)NN1CC(=O)NC1=O ZINC000029018163 395696661 /nfs/dbraw/zinc/69/66/61/395696661.db2.gz VSQAMAXCFCJAGC-UHFFFAOYSA-N 0 0 312.329 0.977 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 ZINC000029199432 395697146 /nfs/dbraw/zinc/69/71/46/395697146.db2.gz LEOVIERDXNOWKL-KTRBRXNASA-N 0 0 309.391 0.635 50 0 DCAARN O=C(c1cnn2cccnc12)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000084614908 395698411 /nfs/dbraw/zinc/69/84/11/395698411.db2.gz NVERGPBCQGIPSU-KBPBESRZSA-N 0 0 315.377 0.401 50 0 DCAARN O=C1CCC2(CCN(Cc3ncc[nH]3)CC2)CN1CCCO ZINC000091745435 395727312 /nfs/dbraw/zinc/72/73/12/395727312.db2.gz XKGYAJZAWOKFBF-UHFFFAOYSA-N 0 0 306.410 0.997 50 0 DCAARN Cc1cccc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 ZINC000037489144 395727572 /nfs/dbraw/zinc/72/75/72/395727572.db2.gz JXSSBYGSLHGAOA-GJZGRUSLSA-N 0 0 310.419 0.275 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCc1ccc(F)cc1 ZINC000038488405 395731753 /nfs/dbraw/zinc/73/17/53/395731753.db2.gz UGBHWSDLXSMXQN-UHFFFAOYSA-N 0 0 305.309 0.412 50 0 DCAARN CN1C(=O)CO[C@H](C(=O)NCCCO)[C@H]1c1ccc(F)cc1 ZINC000096181754 395747479 /nfs/dbraw/zinc/74/74/79/395747479.db2.gz UXHQXJKXSPEFGS-KGLIPLIRSA-N 0 0 310.325 0.223 50 0 DCAARN O=C(COCc1nc(-c2ccncc2)no1)NC[C@@H]1CCCO1 ZINC000096182042 395747551 /nfs/dbraw/zinc/74/75/51/395747551.db2.gz BAMYDIHBMLTOOL-LBPRGKRZSA-N 0 0 318.333 0.943 50 0 DCAARN Cc1cc(C)n(CCNC(=O)c2ccc(-n3cncn3)nn2)n1 ZINC000096097869 395744277 /nfs/dbraw/zinc/74/42/77/395744277.db2.gz YUXYRGLRLDTNCC-UHFFFAOYSA-N 0 0 312.337 0.301 50 0 DCAARN CN(CC(=O)NCCc1cc2ccccc2o1)S(C)(=O)=O ZINC000096417055 395753145 /nfs/dbraw/zinc/75/31/45/395753145.db2.gz CKHJYMBIEBZOOY-UHFFFAOYSA-N 0 0 310.375 0.983 50 0 DCAARN Cn1nccc1CNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000096420652 395753407 /nfs/dbraw/zinc/75/34/07/395753407.db2.gz LNVNBCKGHYCAHX-INIZCTEOSA-N 0 0 314.389 0.937 50 0 DCAARN C[C@@H]1C[C@@H]1C(=O)N1CCN(CC(=O)Nc2ccncc2)CC1 ZINC000096443480 395753443 /nfs/dbraw/zinc/75/34/43/395753443.db2.gz HDPSLRGLKFZSJT-OCCSQVGLSA-N 0 0 302.378 0.820 50 0 DCAARN O=c1/c(=C/c2c(F)cccc2Cl)sc2nc(=O)cnn12 ZINC000016755050 296523222 /nfs/dbraw/zinc/52/32/22/296523222.db2.gz JIZMVQWKFDZJOT-WTKPLQERSA-N 0 0 309.709 0.851 50 0 DCAARN CN(C)S(=O)(=O)c1ccccc1CNCc1cnn(C)c1 ZINC000097197998 395755593 /nfs/dbraw/zinc/75/55/93/395755593.db2.gz MCSNZXSFERIWGN-UHFFFAOYSA-N 0 0 308.407 0.960 50 0 DCAARN CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000044605686 395757208 /nfs/dbraw/zinc/75/72/08/395757208.db2.gz RBDAMLHWRBGCHA-UHFFFAOYSA-N 0 0 313.398 0.398 50 0 DCAARN Cc1cc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)n(C)n1 ZINC000097572098 395758489 /nfs/dbraw/zinc/75/84/89/395758489.db2.gz IRPBMYXPWMFKSY-UHFFFAOYSA-N 0 0 300.318 0.989 50 0 DCAARN CN1C(=O)[C@H](CC(=O)NCCSc2ccccn2)N(C)C1=O ZINC000097505478 395758565 /nfs/dbraw/zinc/75/85/65/395758565.db2.gz DMBMEPIZBKWPPV-JTQLQIEISA-N 0 0 322.390 0.572 50 0 DCAARN Cn1cc(C(=O)N2CC[NH2+]C[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000097505905 395758575 /nfs/dbraw/zinc/75/85/75/395758575.db2.gz NFMUZAJCINUJTI-NSHDSACASA-N 0 0 301.346 0.925 50 0 DCAARN O=C(NCCCn1ccnc1)c1cnc(N2CCOCC2)nc1 ZINC000097551342 395758657 /nfs/dbraw/zinc/75/86/57/395758657.db2.gz JWJSZDNFYRCBLF-UHFFFAOYSA-N 0 0 316.365 0.330 50 0 DCAARN O=C(N1CCN(Cc2ccccc2F)C[C@@H](O)C1)C1(CO)CC1 ZINC000097637924 395759694 /nfs/dbraw/zinc/75/96/94/395759694.db2.gz OADKSRQCLBXSTR-CQSZACIVSA-N 0 0 322.380 0.603 50 0 DCAARN C[C@@H](COc1ccc(F)cc1)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000097915169 395760866 /nfs/dbraw/zinc/76/08/66/395760866.db2.gz WDDQZGAZRPGRMP-CABZTGNLSA-N 0 0 323.324 0.697 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)OC[C@H]2C)c1 ZINC000045448779 395763130 /nfs/dbraw/zinc/76/31/30/395763130.db2.gz AAMZKXRLAHWSEP-GHMZBOCLSA-N 0 0 312.391 0.844 50 0 DCAARN Cc1[nH][nH]c(=O)c1CCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000101143337 395764257 /nfs/dbraw/zinc/76/42/57/395764257.db2.gz ONRQHMFOZWKRIS-VIFPVBQESA-N 0 0 313.317 0.165 50 0 DCAARN COC(=O)Cc1cc(=O)n2nc(NCc3ccccc3)[nH]c2n1 ZINC000101484039 395764576 /nfs/dbraw/zinc/76/45/76/395764576.db2.gz QPMOIDLNHWUMEJ-UHFFFAOYSA-N 0 0 313.317 0.745 50 0 DCAARN Cc1nn(C)c(C)c1CNc1c(=O)c(=O)c1NCCC[NH+](C)C ZINC000101687545 395766499 /nfs/dbraw/zinc/76/64/99/395766499.db2.gz VUVGIZUMFAIABV-UHFFFAOYSA-N 0 0 319.409 0.609 50 0 DCAARN Cc1ccnn1CCNc1c(=O)c(=O)c1NCc1ccncc1 ZINC000101695062 395766622 /nfs/dbraw/zinc/76/66/22/395766622.db2.gz YFNHCKBCABEXIL-UHFFFAOYSA-N 0 0 311.345 0.907 50 0 DCAARN C[C@@H]1COCCN1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000045845314 395767342 /nfs/dbraw/zinc/76/73/42/395767342.db2.gz ABZQZJQNNCURJN-CYBMUJFWSA-N 0 0 320.393 0.849 50 0 DCAARN CN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)S(C)(=O)=O ZINC000046169608 395771973 /nfs/dbraw/zinc/77/19/73/395771973.db2.gz QKRCLVRNYAKEJO-UHFFFAOYSA-N 0 0 322.289 0.838 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)CC[C@H]2CCCO2)CC1 ZINC000046333549 395775818 /nfs/dbraw/zinc/77/58/18/395775818.db2.gz RHUDSOGHVCPNRC-GFCCVEGCSA-N 0 0 304.412 0.486 50 0 DCAARN C[C@@H](Oc1ccccc1)C(=O)NCC1(C(N)=O)CCOCC1 ZINC000047931028 395803119 /nfs/dbraw/zinc/80/31/19/395803119.db2.gz XOLKUXLRUJOQOO-GFCCVEGCSA-N 0 0 306.362 0.852 50 0 DCAARN CC(C)S(=O)(=O)N1CC[C@@H](Oc2cncc(N(C)C)n2)C1 ZINC000225408056 395860233 /nfs/dbraw/zinc/86/02/33/395860233.db2.gz YLIQKCPARLKDLE-LLVKDONJSA-N 0 0 314.411 0.734 50 0 DCAARN CCCNC(=O)[C@@H]1CCCN(C(=O)Cn2cccnc2=O)C1 ZINC000050697247 395840065 /nfs/dbraw/zinc/84/00/65/395840065.db2.gz OBANEMOGRPPYBQ-GFCCVEGCSA-N 0 0 306.366 0.008 50 0 DCAARN NC(=O)[C@H]1CN(C(=O)c2cccc(NC(=O)C3CC3)c2)CCO1 ZINC000050857881 395842551 /nfs/dbraw/zinc/84/25/51/395842551.db2.gz VZASDTGSFVUFEO-CYBMUJFWSA-N 0 0 317.345 0.361 50 0 DCAARN Cc1cc2ncn(C[C@@H](O)CN3CCNC(=O)C3)c2cc1C ZINC000051114708 395845248 /nfs/dbraw/zinc/84/52/48/395845248.db2.gz CVGOOBIETGFFDX-ZDUSSCGKSA-N 0 0 302.378 0.446 50 0 DCAARN CNC(=O)c1noc(CNC(=O)c2c(F)cccc2OC)n1 ZINC000220206399 395847712 /nfs/dbraw/zinc/84/77/12/395847712.db2.gz ADDAEUNDFAINNF-UHFFFAOYSA-N 0 0 308.269 0.507 50 0 DCAARN Cc1cc(C)n2c(nnc2C(=O)NCCc2nnc(N)s2)n1 ZINC000220166813 395847993 /nfs/dbraw/zinc/84/79/93/395847993.db2.gz RKORLKNALYULGP-UHFFFAOYSA-N 0 0 318.366 0.147 50 0 DCAARN Cc1nc(C)c(CC(=O)NCCCNc2cccnc2)c(=O)[nH]1 ZINC000220247193 395848099 /nfs/dbraw/zinc/84/80/99/395848099.db2.gz WTYKOKYOKAPURU-UHFFFAOYSA-N 0 0 315.377 0.943 50 0 DCAARN COCCc1nc(CNC(=O)c2ccc3c(c2)OCO3)no1 ZINC000220362218 395848909 /nfs/dbraw/zinc/84/89/09/395848909.db2.gz BDZXFDAFJCDLBC-UHFFFAOYSA-N 0 0 305.290 0.917 50 0 DCAARN O=C(CN1CCNC(=O)C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000051379789 395849789 /nfs/dbraw/zinc/84/97/89/395849789.db2.gz USLPBRWRWABPLS-AWEZNQCLSA-N 0 0 321.352 0.157 50 0 DCAARN O=C(CNC(=O)c1ccco1)N1CCC[C@H](C(=O)NC2CC2)C1 ZINC000051443891 395850319 /nfs/dbraw/zinc/85/03/19/395850319.db2.gz PZTYCAGIZBWJKY-NSHDSACASA-N 0 0 319.361 0.527 50 0 DCAARN O=C(CN1CCOCC1)NCc1ccccc1-n1cncn1 ZINC000221306459 395850298 /nfs/dbraw/zinc/85/02/98/395850298.db2.gz WJKBGHWXCKGCSU-UHFFFAOYSA-N 0 0 301.350 0.216 50 0 DCAARN COCCN1C[C@@H](Cc2cc(C(N)=O)ccc2OC)CC1=O ZINC000223047006 395853540 /nfs/dbraw/zinc/85/35/40/395853540.db2.gz FELVSTPKFROLGA-NSHDSACASA-N 0 0 306.362 0.832 50 0 DCAARN Cc1nonc1CC(=O)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000222912641 395853578 /nfs/dbraw/zinc/85/35/78/395853578.db2.gz QDRHOIJYIOEKED-WHOFXGATSA-N 0 0 316.361 0.814 50 0 DCAARN CC(=O)c1c(C)nn(CC(=O)NCCSc2c[nH]nn2)c1C ZINC000223898263 395857432 /nfs/dbraw/zinc/85/74/32/395857432.db2.gz HBCXURDOITXKDR-UHFFFAOYSA-N 0 0 322.394 0.729 50 0 DCAARN CCN(CC(=O)NC(C)C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000054417683 395899678 /nfs/dbraw/zinc/89/96/78/395899678.db2.gz UTDLTNLELPNKHV-UHFFFAOYSA-N 0 0 306.370 0.415 50 0 DCAARN O=C(CN1CCN(c2ccccn2)CC1)N1CCC[C@H]1CO ZINC000125073337 395902308 /nfs/dbraw/zinc/90/23/08/395902308.db2.gz ATGOLEJAJMSHIR-AWEZNQCLSA-N 0 0 304.394 0.187 50 0 DCAARN CC(C)(C)OC(=O)CCN1CCN(CC(=O)NC2CC2)CC1 ZINC000055058481 395910454 /nfs/dbraw/zinc/91/04/54/395910454.db2.gz RVZKBLCOYLLRMV-UHFFFAOYSA-N 0 0 311.426 0.614 50 0 DCAARN Cc1nc(CN2CCN(C(=O)CCN3CCCCO3)CC2)no1 ZINC000055108800 395911580 /nfs/dbraw/zinc/91/15/80/395911580.db2.gz QMTZIJMARRUMLK-UHFFFAOYSA-N 0 0 323.397 0.440 50 0 DCAARN CCOc1ccc(Cl)c(C(=O)NCCS(N)(=O)=O)n1 ZINC000055283336 395916371 /nfs/dbraw/zinc/91/63/71/395916371.db2.gz YKEMTKVGUQTOHP-UHFFFAOYSA-N 0 0 307.759 0.152 50 0 DCAARN O=C(NCc1ccccc1-n1ccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000055696879 395920927 /nfs/dbraw/zinc/92/09/27/395920927.db2.gz JYTABLCTHHLCKZ-ZDUSSCGKSA-N 0 0 319.386 0.923 50 0 DCAARN Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)nc1 ZINC000238977998 395923155 /nfs/dbraw/zinc/92/31/55/395923155.db2.gz ZYSNXDPBGBUEHH-GFCCVEGCSA-N 0 0 322.390 0.966 50 0 DCAARN Cc1nn(C)c(C)c1CN(CCO)[C@H](C)C(=O)N1CCCC1 ZINC000244748565 395925064 /nfs/dbraw/zinc/92/50/64/395925064.db2.gz OJRKADFEYHCGLM-CQSZACIVSA-N 0 0 308.426 0.842 50 0 DCAARN Cc1nnc(CNC(=O)c2cccnc2O[C@H]2CCOC2)o1 ZINC000244933341 395926716 /nfs/dbraw/zinc/92/67/16/395926716.db2.gz CMQNYUAHFYYBMO-JTQLQIEISA-N 0 0 304.306 0.871 50 0 DCAARN NC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)CCc1cccs1 ZINC000225520506 395861750 /nfs/dbraw/zinc/86/17/50/395861750.db2.gz REGNNKSJYGKFIP-GHMZBOCLSA-N 0 0 302.421 0.864 50 0 DCAARN COc1nccnc1O[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC000225808029 395863746 /nfs/dbraw/zinc/86/37/46/395863746.db2.gz QSZQZRMLZGDDCC-SNVBAGLBSA-N 0 0 301.306 0.569 50 0 DCAARN C[C@H](C(=O)N1CCc2ccccc2C1)N1CCN(CCO)CC1 ZINC000052876743 395872672 /nfs/dbraw/zinc/87/26/72/395872672.db2.gz VOHCSGSKYPRKID-OAHLLOKOSA-N 0 0 317.433 0.570 50 0 DCAARN Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000229727548 395875765 /nfs/dbraw/zinc/87/57/65/395875765.db2.gz HPGAQBSVIYYDTN-AHIWAGSCSA-N 0 0 313.357 0.909 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cnsn1 ZINC000053027786 395875897 /nfs/dbraw/zinc/87/58/97/395875897.db2.gz FWLHRAZJXRUYJO-MRVPVSSYSA-N 0 0 304.397 0.082 50 0 DCAARN CC(=O)N1CCC[N@@H+]([C@H]2CN(Cc3noc(C)n3)C[C@@H]2C)CC1 ZINC000229828927 395876713 /nfs/dbraw/zinc/87/67/13/395876713.db2.gz HXURRSCERMCRLT-WFASDCNBSA-N 0 0 321.425 0.753 50 0 DCAARN Cc1csc(NC(=O)CN2CCC(N3CCNC3=O)CC2)n1 ZINC000053284913 395879502 /nfs/dbraw/zinc/87/95/02/395879502.db2.gz OPFFMMFJRLCNJG-UHFFFAOYSA-N 0 0 323.422 0.880 50 0 DCAARN CCS(=O)(=O)CC(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000053502192 395884946 /nfs/dbraw/zinc/88/49/46/395884946.db2.gz KIAICTYPYWTTKL-UHFFFAOYSA-N 0 0 309.351 0.344 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccccc2F)CC1 ZINC000057289947 395942287 /nfs/dbraw/zinc/94/22/87/395942287.db2.gz OAVVZGAATRCYHC-LLVKDONJSA-N 0 0 308.357 0.792 50 0 DCAARN CNC(=O)NC(=O)CN1CCN(c2cccc(C)c2C)CC1 ZINC000057449389 395945055 /nfs/dbraw/zinc/94/50/55/395945055.db2.gz TWEVUONZJRGSHC-UHFFFAOYSA-N 0 0 304.394 0.881 50 0 DCAARN CNC(=O)c1ccc(=O)n(CC(=O)Nc2cccc(F)c2)c1 ZINC000058158554 395951804 /nfs/dbraw/zinc/95/18/04/395951804.db2.gz IPMCYDLRABDFKF-UHFFFAOYSA-N 0 0 303.293 0.986 50 0 DCAARN NS(=O)(=O)NC[C@@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000058224440 395951938 /nfs/dbraw/zinc/95/19/38/395951938.db2.gz RSYUQAJOFBMFRX-NSHDSACASA-N 0 0 321.406 0.639 50 0 DCAARN COC(=O)c1ccc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 ZINC000058266058 395952444 /nfs/dbraw/zinc/95/24/44/395952444.db2.gz YDUIHHSPKNTWEI-NSHDSACASA-N 0 0 312.391 0.943 50 0 DCAARN O=C(CN1CCC(c2cc[nH]n2)CC1)N[C@H]1CCCCNC1=O ZINC000058342896 395953363 /nfs/dbraw/zinc/95/33/63/395953363.db2.gz XBCWQPHOSYHSNI-AWEZNQCLSA-N 0 0 319.409 0.374 50 0 DCAARN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)NC[C@H]3CCCO3)CCO2)[nH]1 ZINC000246797915 395957924 /nfs/dbraw/zinc/95/79/24/395957924.db2.gz AWYMUUXWRJTBPJ-UHTWSYAYSA-N 0 0 323.397 0.170 50 0 DCAARN C[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1N1CCOCC1 ZINC000246943211 395961616 /nfs/dbraw/zinc/96/16/16/395961616.db2.gz KEJLBYXBBNYFPE-HZSPNIEDSA-N 0 0 309.410 0.034 50 0 DCAARN COCc1cc(=O)n(CCN2CCOCC2)c(N2CCCC2)n1 ZINC000065307451 395992234 /nfs/dbraw/zinc/99/22/34/395992234.db2.gz BLGURLWVOYZGEH-UHFFFAOYSA-N 0 0 322.409 0.322 50 0 DCAARN CN(CCn1cccn1)c1cc(N2CCOCC2)nc(N)n1 ZINC000065395016 395992909 /nfs/dbraw/zinc/99/29/09/395992909.db2.gz PVOMRAGNIDRKLQ-UHFFFAOYSA-N 0 0 303.370 0.228 50 0 DCAARN COc1ccnc(N2CCN(C(=O)COCC3CC3)CC2)n1 ZINC000065611359 395995218 /nfs/dbraw/zinc/99/52/18/395995218.db2.gz QRRLPGWJBDSBKU-UHFFFAOYSA-N 0 0 306.366 0.560 50 0 DCAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)NC3CC3)C2=O)cc1 ZINC000252540096 396023306 /nfs/dbraw/zinc/02/33/06/396023306.db2.gz OSSUGKAATBHQQG-CYBMUJFWSA-N 0 0 317.345 0.989 50 0 DCAARN CNC(=O)c1noc([C@@H]2CC(F)(F)CN2C(=O)C(C)C)n1 ZINC000253405243 396026738 /nfs/dbraw/zinc/02/67/38/396026738.db2.gz IEKAZEWTULQDKH-ZETCQYMHSA-N 0 0 302.281 0.994 50 0 DCAARN COc1ccccc1CCC(=O)N1C[C@@H](CO)[C@H](NC(C)=O)C1 ZINC000253398489 396026741 /nfs/dbraw/zinc/02/67/41/396026741.db2.gz CEGTXQLFTXQSRC-LSDHHAIUSA-N 0 0 320.389 0.583 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@H]1CO ZINC000253400690 396027048 /nfs/dbraw/zinc/02/70/48/396027048.db2.gz FCTMWVLITRQPPL-GXFFZTMASA-N 0 0 310.325 0.017 50 0 DCAARN COC(=O)c1ccc(S(=O)(=O)N(C)Cc2nc[nH]n2)s1 ZINC000253416313 396027689 /nfs/dbraw/zinc/02/76/89/396027689.db2.gz ZQTNYVFBZPAWNV-UHFFFAOYSA-N 0 0 316.364 0.474 50 0 DCAARN Cc1cnc2c(Cl)c(C(=O)N3CCC(O)(CO)CC3)nn2c1 ZINC000067513721 396027910 /nfs/dbraw/zinc/02/79/10/396027910.db2.gz ZZPKJAOWFPAFJR-UHFFFAOYSA-N 0 0 324.768 0.651 50 0 DCAARN Cn1nnc(CNC(=O)N2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC000253431736 396028522 /nfs/dbraw/zinc/02/85/22/396028522.db2.gz IBGREVMHOQHTQB-CYBMUJFWSA-N 0 0 315.381 0.996 50 0 DCAARN O=C(Cc1ccccc1)N[C@@H]1CN(c2ccncn2)C[C@H]1CO ZINC000257174415 396033964 /nfs/dbraw/zinc/03/39/64/396033964.db2.gz GQXSNWFDRRWJCU-LSDHHAIUSA-N 0 0 312.373 0.633 50 0 DCAARN CC(=O)N[C@@H]1CN(Cc2ccc(Br)o2)C[C@H]1CO ZINC000257174618 396034261 /nfs/dbraw/zinc/03/42/61/396034261.db2.gz IWWQCXGFQPPVNG-GXSJLCMTSA-N 0 0 317.183 0.971 50 0 DCAARN Cc1ccoc1C(=O)N[C@@H]1CN(c2ccncn2)C[C@H]1CO ZINC000257191176 396035427 /nfs/dbraw/zinc/03/54/27/396035427.db2.gz PLMRCDDRWOJSDP-NWDGAFQWSA-N 0 0 302.334 0.605 50 0 DCAARN CCn1c(=O)[nH]nc1C1CCN(c2nccnc2N(C)C)CC1 ZINC000067856308 396037473 /nfs/dbraw/zinc/03/74/73/396037473.db2.gz DGQCGUYUVPYCAM-UHFFFAOYSA-N 0 0 317.397 0.831 50 0 DCAARN Cc1ncc(CN2CC[C@H](CNS(=O)(=O)C3CC3)C2)cn1 ZINC000067956237 396040478 /nfs/dbraw/zinc/04/04/78/396040478.db2.gz JVTNPNVCWVTLKK-GFCCVEGCSA-N 0 0 310.423 0.689 50 0 DCAARN CN(CC(=O)N1CC[C@]2(CN(C)C(=O)O2)C1)Cc1ccncc1 ZINC000252482745 396019897 /nfs/dbraw/zinc/01/98/97/396019897.db2.gz DMUWDAZIIMDMCU-INIZCTEOSA-N 0 0 318.377 0.567 50 0 DCAARN Cc1nn2cccnc2c1C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000252497358 396021627 /nfs/dbraw/zinc/02/16/27/396021627.db2.gz QEUFUGODCBWODJ-UHFFFAOYSA-N 0 0 322.390 0.735 50 0 DCAARN CSCC[C@H](CO)NC(=O)c1ccccc1-n1nnnc1C ZINC000252504806 396021853 /nfs/dbraw/zinc/02/18/53/396021853.db2.gz VLYDUHUBHGOODJ-LLVKDONJSA-N 0 0 321.406 0.815 50 0 DCAARN O=C(NCc1ccnc(N2CCOCC2)c1)c1cc(=O)[nH]cn1 ZINC000252496552 396021883 /nfs/dbraw/zinc/02/18/83/396021883.db2.gz PLGBUYXUXMTUAT-UHFFFAOYSA-N 0 0 315.333 0.344 50 0 DCAARN Cc1nc(CN2CCN(C[C@@H](O)Cn3cccn3)CC2)oc1C ZINC000069654072 396086418 /nfs/dbraw/zinc/08/64/18/396086418.db2.gz WHRJMBJJWAGNLX-OAHLLOKOSA-N 0 0 319.409 0.667 50 0 DCAARN C[C@H](c1ccccc1)N1C(=O)C(=O)N(CCn2cncn2)C1=O ZINC000069739297 396088799 /nfs/dbraw/zinc/08/87/99/396088799.db2.gz NZJWCEJVVRGMGV-LLVKDONJSA-N 0 0 313.317 0.830 50 0 DCAARN O=C(Cn1cnnn1)N1CCCN(Cc2ccccc2F)CC1 ZINC000069743017 396089740 /nfs/dbraw/zinc/08/97/40/396089740.db2.gz QZGXUKIAQFZPMZ-UHFFFAOYSA-N 0 0 318.356 0.547 50 0 DCAARN CC(C)NC(=O)c1ccc(NC(=O)N2CCNC(=O)C2)cc1 ZINC000069780408 396090459 /nfs/dbraw/zinc/09/04/59/396090459.db2.gz UAAITFXVQXVEAN-UHFFFAOYSA-N 0 0 304.350 0.789 50 0 DCAARN CC[C@@]1(C(=O)NCCCN2CCCC2=O)CCCCC(=O)N1 ZINC000169784845 396092507 /nfs/dbraw/zinc/09/25/07/396092507.db2.gz VDACWEQPHCNXIP-INIZCTEOSA-N 0 0 309.410 0.954 50 0 DCAARN O=C([O-])[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCOCC1 ZINC000169787504 396092619 /nfs/dbraw/zinc/09/26/19/396092619.db2.gz DMVJNMOTPKWNLG-LSDHHAIUSA-N 0 0 318.373 0.678 50 0 DCAARN CNC(=O)CCNC(=O)[C@@H](C)N1C(=O)c2ccc(C)cc2C1=O ZINC000069874389 396093178 /nfs/dbraw/zinc/09/31/78/396093178.db2.gz KQQKGWNIPHDXDB-SNVBAGLBSA-N 0 0 317.345 0.232 50 0 DCAARN COc1ccc2[nH]c(C(=O)N3CCN(CCO)CC3)cc2c1 ZINC000170087990 396094274 /nfs/dbraw/zinc/09/42/74/396094274.db2.gz NFLCIIFQKFDLCV-UHFFFAOYSA-N 0 0 303.362 0.927 50 0 DCAARN CCc1nc2n(n1)C[C@H](NCc1nnnn1-c1ccccc1)CC2 ZINC000069899679 396094797 /nfs/dbraw/zinc/09/47/97/396094797.db2.gz ADHKFFOFGOHVAI-GFCCVEGCSA-N 0 0 324.392 0.921 50 0 DCAARN CNC(=O)N[C@@H]1CCN(CC(=O)Nc2cc(C)ccc2OC)C1 ZINC000170597068 396095050 /nfs/dbraw/zinc/09/50/50/396095050.db2.gz KNLXALAWXPEIIE-GFCCVEGCSA-N 0 0 320.393 0.945 50 0 DCAARN Cc1cnc(C(=O)N2CCN(C[C@H](O)C(C)(C)C)CC2)cn1 ZINC000069929178 396095606 /nfs/dbraw/zinc/09/56/06/396095606.db2.gz SGBGOBMKUZDOQG-AWEZNQCLSA-N 0 0 306.410 0.950 50 0 DCAARN COc1ccc(-n2nnnc2SCc2nnn(C)n2)cc1 ZINC000170617558 396095854 /nfs/dbraw/zinc/09/58/54/396095854.db2.gz RECLPZCPPLALAE-UHFFFAOYSA-N 0 0 304.339 0.487 50 0 DCAARN CC(C)(C)OC(=O)N1CC[C@H](OC(=O)[C@H]2COCCO2)C1 ZINC000170627055 396095875 /nfs/dbraw/zinc/09/58/75/396095875.db2.gz YKVYNCUUCXXPKC-WDEREUQCSA-N 0 0 301.339 0.954 50 0 DCAARN COC(=O)[C@@H](CNC(=O)OC(C)(C)C)N1CC[C@H](CO)C1 ZINC000170611937 396095927 /nfs/dbraw/zinc/09/59/27/396095927.db2.gz LJZFUCJMVFLCBI-WDEREUQCSA-N 0 0 302.371 0.367 50 0 DCAARN Cn1c(=O)c2ccc(C(=O)NCC3(O)CCC3)cc2[n-]c1=S ZINC000170636143 396096151 /nfs/dbraw/zinc/09/61/51/396096151.db2.gz DOBGNGOMNWHEJX-UHFFFAOYSA-N 0 0 319.386 0.867 50 0 DCAARN O=C(C1CN(S(=O)(=O)C2CC2)C1)N1CCc2ccccc2C1 ZINC000070818182 396105301 /nfs/dbraw/zinc/10/53/01/396105301.db2.gz ZXSCFEYSNOAYAG-UHFFFAOYSA-N 0 0 320.414 0.995 50 0 DCAARN CC(=O)N1CCC(C(=O)N2CC3(C2)COC(C)(C)OC3)CC1 ZINC000070971443 396108049 /nfs/dbraw/zinc/10/80/49/396108049.db2.gz FMZAWAVDSUYWMU-UHFFFAOYSA-N 0 0 310.394 0.856 50 0 DCAARN CN(C)C(=O)CN1CCCN(Cc2nc(C(C)(C)C)no2)CC1 ZINC000071184992 396110762 /nfs/dbraw/zinc/11/07/62/396110762.db2.gz SWIMZYOTVNTMGS-UHFFFAOYSA-N 0 0 323.441 0.963 50 0 DCAARN Cc1onc(N)c1S(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000071195450 396110936 /nfs/dbraw/zinc/11/09/36/396110936.db2.gz JLXFJUJKZKAJFT-UHFFFAOYSA-N 0 0 323.378 0.471 50 0 DCAARN O=C(CN1CCCS1(=O)=O)N1CCC[C@H](n2ccnc2)C1 ZINC000071796490 396115218 /nfs/dbraw/zinc/11/52/18/396115218.db2.gz ZRULKVGJXPOTDW-LBPRGKRZSA-N 0 0 312.395 0.082 50 0 DCAARN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cn(-c2ccccc2)nn1 ZINC000071829612 396116900 /nfs/dbraw/zinc/11/69/00/396116900.db2.gz FLWXLCBMANCBOT-VXGBXAGGSA-N 0 0 313.361 0.993 50 0 DCAARN c1coc(-c2noc(CN3CCO[C@H](Cn4cncn4)C3)n2)c1 ZINC000071876574 396121098 /nfs/dbraw/zinc/12/10/98/396121098.db2.gz TWZSYBKWWXRVMK-NSHDSACASA-N 0 0 316.321 0.822 50 0 DCAARN CNC(=O)C1(C(=O)N2CCC(Nc3ccc(C)nn3)CC2)CC1 ZINC000071879503 396122718 /nfs/dbraw/zinc/12/27/18/396122718.db2.gz HXHHBSATCLKADL-UHFFFAOYSA-N 0 0 317.393 0.714 50 0 DCAARN CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)OCCCC(N)=O ZINC000072310831 396130624 /nfs/dbraw/zinc/13/06/24/396130624.db2.gz TWQSIZDBZXXKSX-GFCCVEGCSA-N 0 0 313.375 0.451 50 0 DCAARN CC(C)(O)CNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000072304482 396130854 /nfs/dbraw/zinc/13/08/54/396130854.db2.gz VEISWSKRRMVCCY-CQSZACIVSA-N 0 0 304.390 0.965 50 0 DCAARN CCCc1nc(CN2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)no1 ZINC000072300772 396130959 /nfs/dbraw/zinc/13/09/59/396130959.db2.gz MNNRTRZWZZYFDQ-ZUZCIYMTSA-N 0 0 321.381 0.832 50 0 DCAARN Cc1nnc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)s1 ZINC000069376934 396076711 /nfs/dbraw/zinc/07/67/11/396076711.db2.gz HXDHRJAZKRSGOC-NSHDSACASA-N 0 0 322.394 0.383 50 0 DCAARN COC[C@]1(C)NC(=O)N(C[C@H](O)COc2cccc(C)c2)C1=O ZINC000069418776 396078255 /nfs/dbraw/zinc/07/82/55/396078255.db2.gz HKQHITDFCLXJOJ-LRDDRELGSA-N 0 0 322.361 0.692 50 0 DCAARN Cc1cnn(C[C@H]2CN(CC(=O)Nc3cc(C)no3)CCO2)c1 ZINC000069452079 396078824 /nfs/dbraw/zinc/07/88/24/396078824.db2.gz FJUNODMLTMKPDU-CYBMUJFWSA-N 0 0 319.365 0.827 50 0 DCAARN CCc1nnc2n1CCN(C(=O)[C@@H](C)OC[C@H]1CCCO1)C2 ZINC000069485228 396080016 /nfs/dbraw/zinc/08/00/16/396080016.db2.gz JNAAELHIZMEKNO-VXGBXAGGSA-N 0 0 308.382 0.767 50 0 DCAARN COC(=O)[C@H](CC(C)C)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000069537986 396082692 /nfs/dbraw/zinc/08/26/92/396082692.db2.gz CQRNRPWWDCWVMV-VIFPVBQESA-N 0 0 313.354 0.021 50 0 DCAARN O=C(CNC(=O)c1cnn(-c2ccccc2)n1)OCC1CC1 ZINC000069538138 396083084 /nfs/dbraw/zinc/08/30/84/396083084.db2.gz GLZJVOWZSJWXPJ-UHFFFAOYSA-N 0 0 300.318 0.950 50 0 DCAARN CCN1C[C@@H](C(=O)N(C)CC(=O)Nc2cc(C)ccn2)CC1=O ZINC000069570723 396083481 /nfs/dbraw/zinc/08/34/81/396083481.db2.gz DOSKGWFVBJDPIX-LBPRGKRZSA-N 0 0 318.377 0.655 50 0 DCAARN NC(=O)CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000069621593 396084543 /nfs/dbraw/zinc/08/45/43/396084543.db2.gz NUMGEUPBTPSGBV-VIFPVBQESA-N 0 0 313.766 0.744 50 0 DCAARN COc1ccccc1/C=C/C(=O)N1CCCN(CC(N)=O)CC1 ZINC000069615775 396084607 /nfs/dbraw/zinc/08/46/07/396084607.db2.gz MTFKTTXTEVMTGK-BQYQJAHWSA-N 0 0 317.389 0.728 50 0 DCAARN COC[C@H](O)CN(C)C(=O)CNC(=O)OCc1ccccc1 ZINC000075092814 396175745 /nfs/dbraw/zinc/17/57/45/396175745.db2.gz JOHWLGLMTQCAGY-CYBMUJFWSA-N 0 0 310.350 0.379 50 0 DCAARN CCCn1nccc1NC(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000075109198 396175852 /nfs/dbraw/zinc/17/58/52/396175852.db2.gz LHYZUVOILRDUAP-GFCCVEGCSA-N 0 0 300.384 0.992 50 0 DCAARN Cc1nonc1CN1CCN(C(=O)c2ccc(C)[nH]c2=O)CC1 ZINC000075125889 396176804 /nfs/dbraw/zinc/17/68/04/396176804.db2.gz RHVIBRROWZLLOJ-UHFFFAOYSA-N 0 0 317.349 0.333 50 0 DCAARN COC(=O)C1=NNC[C@]12CC(=O)N(c1ccc(F)cc1)C2=O ZINC000075272795 396178828 /nfs/dbraw/zinc/17/88/28/396178828.db2.gz XEJCGRHDELTAOY-CQSZACIVSA-N 0 0 305.265 0.208 50 0 DCAARN CCCS(=O)(=O)[C@@H](C)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000075602590 396181687 /nfs/dbraw/zinc/18/16/87/396181687.db2.gz RYYVRCPRLRHDOT-NWDGAFQWSA-N 0 0 314.411 0.655 50 0 DCAARN Cc1nnc([C@H]2CN(C(=O)c3ccn(C)c(=O)c3)CCO2)[nH]1 ZINC000076045185 396192571 /nfs/dbraw/zinc/19/25/71/396192571.db2.gz YHUIASCYVQYEPB-LLVKDONJSA-N 0 0 303.322 0.026 50 0 DCAARN CC(C)(C)c1n[nH]c([C@H]2CN(CCn3cncn3)CCO2)n1 ZINC000076049748 396193900 /nfs/dbraw/zinc/19/39/00/396193900.db2.gz KZSNGTCHSUMNDU-LLVKDONJSA-N 0 0 305.386 0.767 50 0 DCAARN Cc1nc(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)no1 ZINC000076047797 396193997 /nfs/dbraw/zinc/19/39/97/396193997.db2.gz ZTDMMUFSJABJGE-CYBMUJFWSA-N 0 0 308.382 0.981 50 0 DCAARN Cc1cc(NC(=O)CN2CCO[C@@H](c3nnc(C)[nH]3)C2)no1 ZINC000076048892 396194269 /nfs/dbraw/zinc/19/42/69/396194269.db2.gz BRDBVMNAYVKSDM-SNVBAGLBSA-N 0 0 306.326 0.422 50 0 DCAARN Cc1nnc([C@H]2CN(CC(=O)NCc3ccccn3)CCO2)[nH]1 ZINC000076048095 396194310 /nfs/dbraw/zinc/19/43/10/396194310.db2.gz IJJCVGWJNLRWRC-CYBMUJFWSA-N 0 0 316.365 0.198 50 0 DCAARN COCCOc1ccc(NC(=O)N[C@H]2CCC[C@H]2C(N)=O)cn1 ZINC000076069215 396195748 /nfs/dbraw/zinc/19/57/48/396195748.db2.gz KWQYFMMJLSGDNE-NEPJUHHUSA-N 0 0 322.365 0.882 50 0 DCAARN CCc1nnc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)o1 ZINC000076059572 396196054 /nfs/dbraw/zinc/19/60/54/396196054.db2.gz LXJVTXCDOLQJQL-SECBINFHSA-N 0 0 304.354 0.834 50 0 DCAARN CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)n1 ZINC000078890050 396256108 /nfs/dbraw/zinc/25/61/08/396256108.db2.gz NZJUZBWGVDNBQR-UWVGGRQHSA-N 0 0 321.381 0.281 50 0 DCAARN CC(C)c1nnc([C@H]2CN(C(=O)CCn3cncn3)CCO2)[nH]1 ZINC000078889450 396256378 /nfs/dbraw/zinc/25/63/78/396256378.db2.gz PXRBKFRGLKYBBR-LLVKDONJSA-N 0 0 319.369 0.510 50 0 DCAARN CCc1nnc([C@@H]2CN([C@H](C(N)=O)c3ccccc3)CCO2)[nH]1 ZINC000078892637 396256821 /nfs/dbraw/zinc/25/68/21/396256821.db2.gz QKAMOTJNXWQWOD-JSGCOSHPSA-N 0 0 315.377 0.967 50 0 DCAARN CCOC(=O)[C@H]1CN(Cc2ccno2)CCN1Cc1ccno1 ZINC000078970254 396259262 /nfs/dbraw/zinc/25/92/62/396259262.db2.gz LVJSWLNLZBJNOH-CQSZACIVSA-N 0 0 320.349 0.912 50 0 DCAARN Cn1ccc2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)ccc21 ZINC000079482829 396265883 /nfs/dbraw/zinc/26/58/83/396265883.db2.gz JJMGBXQFADVLHR-UHFFFAOYSA-N 0 0 321.402 0.896 50 0 DCAARN Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccn(CC(N)=O)n1)C2 ZINC000079696224 396269182 /nfs/dbraw/zinc/26/91/82/396269182.db2.gz UYMHVNMLNUGLPC-ZDUSSCGKSA-N 0 0 314.345 0.927 50 0 DCAARN O=S(=O)(NC[C@@]1(O)CCOC1)c1cccc2cccnc21 ZINC000178986265 396217996 /nfs/dbraw/zinc/21/79/96/396217996.db2.gz ARRROTVDTOEKCN-AWEZNQCLSA-N 0 0 308.359 0.665 50 0 DCAARN CC(C)C[C@@H](O)C1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1 ZINC000077342049 396219279 /nfs/dbraw/zinc/21/92/79/396219279.db2.gz RQEJMJMZAFMGTB-GFCCVEGCSA-N 0 0 309.366 0.735 50 0 DCAARN O=C(c1cnc(-c2cccnc2)nc1)N1CCOC[C@@H](CO)C1 ZINC000077344195 396219321 /nfs/dbraw/zinc/21/93/21/396219321.db2.gz LCOPZSYNFVFWEU-GFCCVEGCSA-N 0 0 314.345 0.620 50 0 DCAARN CCOCCn1nc(C)cc1C(=O)N1CCOC[C@@H](CO)C1 ZINC000077419737 396221908 /nfs/dbraw/zinc/22/19/08/396221908.db2.gz MJMFHEGTHKQPNZ-CYBMUJFWSA-N 0 0 311.382 0.309 50 0 DCAARN Cn1cnnc1Sc1ccc(CN2CCOC[C@H](O)C2)o1 ZINC000077452848 396223112 /nfs/dbraw/zinc/22/31/12/396223112.db2.gz MCKQZKQNDGQEHK-SNVBAGLBSA-N 0 0 310.379 0.752 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cnn(C)c1C(F)(F)F ZINC000185537495 396330053 /nfs/dbraw/zinc/33/00/53/396330053.db2.gz KBNFIHJSYLCNFZ-BDAKNGLRSA-N 0 0 307.272 0.547 50 0 DCAARN COC(=O)[C@H](NCc1cncc(Br)c1)[C@H](C)O ZINC000191963673 396427981 /nfs/dbraw/zinc/42/79/81/396427981.db2.gz FWTAILZKQMDYQP-OIBJUYFYSA-N 0 0 303.156 0.856 50 0 DCAARN Cc1cc(S(=O)(=O)N[C@H]2COC[C@@H]2O)c(C)cc1Cl ZINC000584885727 396632101 /nfs/dbraw/zinc/63/21/01/396632101.db2.gz FWZFLVYESXFXTB-QWRGUYRKSA-N 0 0 305.783 0.995 50 0 DCAARN CC(C)n1cnnc1CCNC(=O)c1nc2ncccn2n1 ZINC000584886915 396632349 /nfs/dbraw/zinc/63/23/49/396632349.db2.gz QVBAUWOQALCGSI-UHFFFAOYSA-N 0 0 300.326 0.269 50 0 DCAARN CC(C)(C)N1C[C@H](CNC(=O)CN2CCCCC2=O)CC1=O ZINC000584887796 396632993 /nfs/dbraw/zinc/63/29/93/396632993.db2.gz SCWRJLPRCPKNKY-LBPRGKRZSA-N 0 0 309.410 0.762 50 0 DCAARN CCCN(C[C@H]1CCCO1)C(=O)NCc1nc(C(N)=O)no1 ZINC000584888019 396633410 /nfs/dbraw/zinc/63/34/10/396633410.db2.gz AGWCNWZQYBHVCK-SECBINFHSA-N 0 0 311.342 0.269 50 0 DCAARN CCOCCC(=O)NC1CCN(C(=O)N2CCOCC2)CC1 ZINC000584892280 396634200 /nfs/dbraw/zinc/63/42/00/396634200.db2.gz OQOHDXVJEPULBO-UHFFFAOYSA-N 0 0 313.398 0.446 50 0 DCAARN Cc1ccccc1C1(NC(=O)N2CCNC(=O)[C@H]2CCO)CC1 ZINC000584896756 396635773 /nfs/dbraw/zinc/63/57/73/396635773.db2.gz PMHJVXFNZGVPDH-CQSZACIVSA-N 0 0 317.389 0.877 50 0 DCAARN CC[C@@H](C(=O)N1CCN(Cc2nc[nH]n2)CC1)n1cccn1 ZINC000584901724 396637226 /nfs/dbraw/zinc/63/72/26/396637226.db2.gz YDRYLMOSAYTAML-LBPRGKRZSA-N 0 0 303.370 0.297 50 0 DCAARN CCOC(=O)c1nccc(N[C@@H](CO)[C@H](O)C2CCCCC2)n1 ZINC000585132793 396640834 /nfs/dbraw/zinc/64/08/34/396640834.db2.gz WIAAGJHHQMXYPE-GXTWGEPZSA-N 0 0 323.393 0.789 50 0 DCAARN Cc1ccc(NC(=O)c2cc(N3CCOCC3)ncn2)c(=O)[nH]1 ZINC000585140515 396641443 /nfs/dbraw/zinc/64/14/43/396641443.db2.gz GPBFHRDJMKYKLI-UHFFFAOYSA-N 0 0 315.333 0.975 50 0 DCAARN Cn1nc2c(cc1=O)C[C@H](NC(=O)c1cc(C3CC3)n[nH]1)CC2 ZINC000585149272 396642257 /nfs/dbraw/zinc/64/22/57/396642257.db2.gz DUWONYSJHYAISV-LLVKDONJSA-N 0 0 313.361 0.668 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCCn2cccnc2=O)cc1 ZINC000585142519 396642315 /nfs/dbraw/zinc/64/23/15/396642315.db2.gz XTHMCUCNQGGGQL-UHFFFAOYSA-N 0 0 307.375 0.920 50 0 DCAARN CCO[C@@H](CS(=O)(=O)N1CC(=O)N(C)[C@H](C)C1)C1CC1 ZINC000625189372 396797968 /nfs/dbraw/zinc/79/79/68/396797968.db2.gz QUDMOYWZBCCCHS-PWSUYJOCSA-N 0 0 304.412 0.294 50 0 DCAARN CCO[C@@H](CS(=O)(=O)N1CCCC[C@@]1(C)C(N)=O)C1CC1 ZINC000625119162 396776362 /nfs/dbraw/zinc/77/63/62/396776362.db2.gz MAIOBRKDESTWAH-JSGCOSHPSA-N 0 0 318.439 0.861 50 0 DCAARN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(C(C)C)no1 ZINC000617883276 396857120 /nfs/dbraw/zinc/85/71/20/396857120.db2.gz VWPMPIGQVIOLLN-MWLCHTKSSA-N 0 0 302.352 0.340 50 0 DCAARN CNC(=O)/C=C/CNC(=O)c1cnc2sc(C)cn2c1=O ZINC000618254148 396942728 /nfs/dbraw/zinc/94/27/28/396942728.db2.gz HZQNTOIGJULUQY-ONEGZZNKSA-N 0 0 306.347 0.096 50 0 DCAARN CCOC(=O)CCC(=O)N1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC000390827138 397302098 /nfs/dbraw/zinc/30/20/98/397302098.db2.gz FBSLIBLWSDAPJW-LLVKDONJSA-N 0 0 311.313 0.939 50 0 DCAARN CN(C)S(=O)(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C ZINC000390831987 397303035 /nfs/dbraw/zinc/30/30/35/397303035.db2.gz WMBYRVNMUCAPMR-UHFFFAOYSA-N 0 0 320.396 0.036 50 0 DCAARN O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccccn1 ZINC000390830585 397303352 /nfs/dbraw/zinc/30/33/52/397303352.db2.gz MBEOCZARSYKOSZ-LLVKDONJSA-N 0 0 309.333 0.528 50 0 DCAARN CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)C1(NC(N)=O)CC1 ZINC000390834600 397303473 /nfs/dbraw/zinc/30/34/73/397303473.db2.gz HVRSWZFBCZTGGY-JTQLQIEISA-N 0 0 311.382 0.910 50 0 DCAARN O=C(C1=CCCCO1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000366173011 397346574 /nfs/dbraw/zinc/34/65/74/397346574.db2.gz XAMCLKGAVGUBBN-GFCCVEGCSA-N 0 0 314.407 0.707 50 0 DCAARN Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000366985031 397396082 /nfs/dbraw/zinc/39/60/82/397396082.db2.gz ZOGKQCKTBACZAG-NSHDSACASA-N 0 0 318.377 0.537 50 0 DCAARN COCCOCCN1CCN(C(=O)[C@@H](C)CSC)CC1 ZINC000593887383 397468841 /nfs/dbraw/zinc/46/88/41/397468841.db2.gz RXFQERYYHQMDRN-ZDUSSCGKSA-N 0 0 304.456 0.793 50 0 DCAARN CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C[C@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000000490415 285946802 /nfs/dbraw/zinc/94/68/02/285946802.db2.gz XEPQPPSBVXFJOA-XRMRDTNMSA-N 0 0 307.346 0.511 50 0 biogenic DCAARN CCO[C@H]1NC(=O)NC(=O)C1(Br)Br ZINC000004529943 286551438 /nfs/dbraw/zinc/55/14/38/286551438.db2.gz HLQXUVLBBBXUBY-SCSAIBSYSA-N 0 0 315.949 0.675 50 0 DCAARN COCCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 ZINC000072241755 292362795 /nfs/dbraw/zinc/36/27/95/292362795.db2.gz PBFZHCPCSPGFSA-GJZGRUSLSA-N 0 0 324.352 0.877 50 0 DCAARN CN1CCO[C@@H]2CN(C(=O)Cc3[nH]nc4ccccc43)C[C@@H]21 ZINC000124334023 158240975 /nfs/dbraw/zinc/24/09/75/158240975.db2.gz PXCGVDPBEFEYDR-LSDHHAIUSA-N 0 0 300.362 0.647 50 0 DCAARN CS(=O)(=O)CCCN1CCN(Cc2cscn2)CC1 ZINC000330365943 159163158 /nfs/dbraw/zinc/16/31/58/159163158.db2.gz UOKVMPZAAMLNKF-UHFFFAOYSA-N 0 0 303.453 0.695 50 0 DCAARN C[C@@H]1CN(C(=O)CCOC2CCOCC2)C[C@H](C)[S@@]1=O ZINC000408341086 160088387 /nfs/dbraw/zinc/08/83/87/160088387.db2.gz GQVIJPDYFBVJPL-OYHTYJOISA-N 0 0 303.424 0.940 50 0 DCAARN C[C@@H](O)CN1CC2(CCC1=O)CCN(S(C)(=O)=O)CC2 ZINC000091973936 287084972 /nfs/dbraw/zinc/08/49/72/287084972.db2.gz DDAZFQSABHKIAL-LLVKDONJSA-N 0 0 304.412 0.031 50 0 DCAARN COc1cccc([C@@H]2NC(=S)NC(C)=C2C(N)=O)c1OC ZINC000004574736 415128151 /nfs/dbraw/zinc/12/81/51/415128151.db2.gz KJZDTFYFYKUPIC-NSHDSACASA-N 0 0 307.375 0.982 50 0 DCAARN CN1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 ZINC000003427447 415128607 /nfs/dbraw/zinc/12/86/07/415128607.db2.gz DRRYIAHMFPLTAK-UHFFFAOYSA-N 0 0 310.423 0.618 50 0 DCAARN COCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005438408 415134509 /nfs/dbraw/zinc/13/45/09/415134509.db2.gz NNKZTKWRNUQRHC-UHFFFAOYSA-N 0 0 312.391 0.993 50 0 DCAARN COCCCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)o1 ZINC000006974040 415136456 /nfs/dbraw/zinc/13/64/56/415136456.db2.gz CLLLGTGIOJVEHQ-UHFFFAOYSA-N 0 0 313.335 0.345 50 0 DCAARN CCOC(=O)C(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1 ZINC000007418730 415139772 /nfs/dbraw/zinc/13/97/72/415139772.db2.gz KTLOHGOCCIXNQH-UHFFFAOYSA-N 0 0 305.294 0.074 50 0 DCAARN Cn1c2c([nH]c1=S)n(C)c(=O)n(Cc1ccccc1)c2=O ZINC000007425816 415139950 /nfs/dbraw/zinc/13/99/50/415139950.db2.gz XKJGXAHYTWXZMP-UHFFFAOYSA-N 0 0 302.359 0.771 50 0 DCAARN COc1ccc(Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1F ZINC000007738284 415141684 /nfs/dbraw/zinc/14/16/84/415141684.db2.gz HMURHELZSSHQOM-UHFFFAOYSA-N 0 0 318.308 0.630 50 0 DCAARN CC1=C(C(=O)OC(C)C)[C@@]2(O)C(=O)c3ccccc3[C@]2(O)N1 ZINC000008685734 415144633 /nfs/dbraw/zinc/14/46/33/415144633.db2.gz SPEITRFVNOZBRU-HZPDHXFCSA-N 0 0 303.314 0.588 50 0 DCAARN Cc1cc(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)on1 ZINC000008540960 415144765 /nfs/dbraw/zinc/14/47/65/415144765.db2.gz JEWMZNJXUMJVFB-UHFFFAOYSA-N 0 0 309.713 0.432 50 0 DCAARN O=C(NCCc1c[nH]cn1)[C@@H]1CCCN(c2ncccn2)C1 ZINC000009421451 415145853 /nfs/dbraw/zinc/14/58/53/415145853.db2.gz KPZUGSJZWPTSGU-GFCCVEGCSA-N 0 0 300.366 0.775 50 0 DCAARN C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=NN3CC)n(C)c1=O ZINC000010336853 415147966 /nfs/dbraw/zinc/14/79/66/415147966.db2.gz JZOMYYOMIIBEGJ-FNORWQNLSA-N 0 0 316.365 0.689 50 0 DCAARN NC(=O)[C@H]1C[C@H](O)CN1c1ncnc2sc3c(c21)CCC3 ZINC000012850480 415149220 /nfs/dbraw/zinc/14/92/20/415149220.db2.gz WGORHNVUNUUFRW-IONNQARKSA-N 0 0 304.375 0.605 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCO[C@@H](C)C2)cc1C(N)=O ZINC000026766886 415171081 /nfs/dbraw/zinc/17/10/81/415171081.db2.gz OPLATSUXDGCXCJ-VIFPVBQESA-N 0 0 314.363 0.204 50 0 DCAARN CN(C(=O)[C@@H]1CC(=O)Nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000040488067 415197175 /nfs/dbraw/zinc/19/71/75/415197175.db2.gz SZIKDGASECNMMS-ZYHUDNBSSA-N 0 0 322.386 0.758 50 0 DCAARN COCO[C@H]1CCC[C@]12OC(=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000043763456 415218312 /nfs/dbraw/zinc/21/83/12/415218312.db2.gz HOQRRGBRRQXJNB-OPDFLTKYSA-N 0 0 316.306 0.318 50 0 DCAARN Cc1cc(CN(C)C(=O)[C@@H](CC(C)C)NS(C)(=O)=O)no1 ZINC000044916664 415232555 /nfs/dbraw/zinc/23/25/55/415232555.db2.gz AVVHHTIRVGLETB-GFCCVEGCSA-N 0 0 317.411 0.905 50 0 DCAARN C[C@@H](C(=O)N1CCOCC1)S(=O)(=O)c1cc(F)ccc1F ZINC000044947480 415233593 /nfs/dbraw/zinc/23/35/93/415233593.db2.gz JYKKRIZGTFJSJB-VIFPVBQESA-N 0 0 319.329 0.986 50 0 DCAARN O=C(NCc1cccnc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 ZINC000044918802 415235758 /nfs/dbraw/zinc/23/57/58/415235758.db2.gz YBAIUHOIJLNMLQ-LBPRGKRZSA-N 0 0 320.374 0.318 50 0 DCAARN COc1ncccc1CNC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000044968815 415237456 /nfs/dbraw/zinc/23/74/56/415237456.db2.gz QNYBIVAMCOYZDG-NSHDSACASA-N 0 0 313.379 0.419 50 0 DCAARN COc1ccc(OC)c(CNC(=O)[C@H](C)S(C)(=O)=O)c1 ZINC000044950029 415239635 /nfs/dbraw/zinc/23/96/35/415239635.db2.gz MRUXETOPZUHJQQ-VIFPVBQESA-N 0 0 301.364 0.753 50 0 DCAARN CC(=O)N1CCC[C@H]1C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000044979754 415243438 /nfs/dbraw/zinc/24/34/38/415243438.db2.gz NYTZGLPOZNEYMS-ZDUSSCGKSA-N 0 0 320.345 0.921 50 0 DCAARN CC(C)C(=O)NCCNC(=O)C1CCN(C(=O)NC2CC2)CC1 ZINC000047989692 415284262 /nfs/dbraw/zinc/28/42/62/415284262.db2.gz IJILSLOEHHRECE-UHFFFAOYSA-N 0 0 324.425 0.459 50 0 DCAARN O=C(Nc1ccc(-n2cncn2)nc1)N[C@@H]1CCCCNC1=O ZINC000045666236 415252494 /nfs/dbraw/zinc/25/24/94/415252494.db2.gz RJZMKHJRCCJBNC-LLVKDONJSA-N 0 0 315.337 0.453 50 0 DCAARN O=C(c1cnc2n(c1=O)CCS2)N(C[C@H]1CCOC1)C1CC1 ZINC000046937450 415262471 /nfs/dbraw/zinc/26/24/71/415262471.db2.gz BXHYJYMXDUEBGF-SNVBAGLBSA-N 0 0 321.402 0.990 50 0 DCAARN O=C(CN1CCCC1=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000047228999 415266780 /nfs/dbraw/zinc/26/67/80/415266780.db2.gz XAASFBXCFABDPL-AWEZNQCLSA-N 0 0 315.373 0.699 50 0 DCAARN COCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000047660385 415279378 /nfs/dbraw/zinc/27/93/78/415279378.db2.gz CMJLQOUZBDBSLM-MRVPVSSYSA-N 0 0 307.318 0.890 50 0 DCAARN COc1ccc(CCNC(=O)Cn2nc(C)ccc2=O)cc1 ZINC000044394466 415222551 /nfs/dbraw/zinc/22/25/51/415222551.db2.gz NGUYTUURGDYPNJ-UHFFFAOYSA-N 0 0 301.346 0.919 50 0 DCAARN CN(C)[C@H](CNC(=O)C(=O)Nc1c[nH]ccc1=O)c1ccco1 ZINC000044890890 415229472 /nfs/dbraw/zinc/22/94/72/415229472.db2.gz PCGUNCWSEKNNSO-LLVKDONJSA-N 0 0 318.333 0.326 50 0 DCAARN C[C@@H]1COCCN1C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000044912266 415231914 /nfs/dbraw/zinc/23/19/14/415231914.db2.gz ZPQGUYDSTHOOCH-RISCZKNCSA-N 0 0 316.361 0.354 50 0 DCAARN C[C@]1(NC(=O)c2ccnc(-n3ccnc3)c2)CCS(=O)(=O)C1 ZINC000048222730 415285606 /nfs/dbraw/zinc/28/56/06/415285606.db2.gz ASUNCMMYNBSAJT-AWEZNQCLSA-N 0 0 320.374 0.574 50 0 DCAARN CCN(C[C@@H]1CCOC1)C(=O)Cn1nnc2ccccc2c1=O ZINC000048262610 415286834 /nfs/dbraw/zinc/28/68/34/415286834.db2.gz ZSNUHEZMAPNQQN-LBPRGKRZSA-N 0 0 316.361 0.677 50 0 DCAARN C[C@H](Cc1ccco1)NC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000048229902 415287352 /nfs/dbraw/zinc/28/73/52/415287352.db2.gz DCRKDMBNJDBILQ-PWSUYJOCSA-N 0 0 300.380 0.751 50 0 DCAARN CC(C)(C)n1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cn1 ZINC000048364243 415292314 /nfs/dbraw/zinc/29/23/14/415292314.db2.gz CZLMQNOOLPHYGO-UHFFFAOYSA-N 0 0 319.365 0.452 50 0 DCAARN Cc1cc(=O)n2nc(N(C)CC(=O)N3CCCC3)sc2n1 ZINC000048309051 415292771 /nfs/dbraw/zinc/29/27/71/415292771.db2.gz BGNAYGVIXNQLGN-UHFFFAOYSA-N 0 0 307.379 0.518 50 0 DCAARN C[C@H](C(=O)NCCOc1ccc2c(c1)OCO2)n1cncn1 ZINC000048537113 415295598 /nfs/dbraw/zinc/29/55/98/415295598.db2.gz ZFSPVJZNVKGXRH-SNVBAGLBSA-N 0 0 304.306 0.763 50 0 DCAARN Cn1cc(C(=O)NC2CCN(C(=O)C[C@H]3CCCO3)CC2)cn1 ZINC000049011346 415300312 /nfs/dbraw/zinc/30/03/12/415300312.db2.gz PMRBSVKKUKTKAE-CQSZACIVSA-N 0 0 320.393 0.710 50 0 DCAARN CNc1nc(C)c(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)s1 ZINC000049664500 415310362 /nfs/dbraw/zinc/31/03/62/415310362.db2.gz DGIDALGITYIAFL-QMMMGPOBSA-N 0 0 303.409 0.752 50 0 DCAARN Cc1noc(C)c1CN1CCN(C(=O)c2ccnn2C)CC1 ZINC000063506081 415350298 /nfs/dbraw/zinc/35/02/98/415350298.db2.gz OSEKVWVUUFWYSI-UHFFFAOYSA-N 0 0 303.366 0.983 50 0 DCAARN COC(=O)c1cccc(NC(=O)CN(C)S(C)(=O)=O)c1O ZINC000066635460 415365872 /nfs/dbraw/zinc/36/58/72/415365872.db2.gz VPBWXYYSGMOAPM-UHFFFAOYSA-N 0 0 316.335 0.009 50 0 DCAARN CCCN1CCN(C(=O)c2cc(CN3CCOCC3)on2)CC1 ZINC000067689336 415383190 /nfs/dbraw/zinc/38/31/90/415383190.db2.gz OAELLKZZGPWKEH-UHFFFAOYSA-N 0 0 322.409 0.675 50 0 DCAARN Cc1ccccc1[C@@H]1CCN(CCNC(=O)CS(C)(=O)=O)C1 ZINC000067695295 415387053 /nfs/dbraw/zinc/38/70/53/415387053.db2.gz JYZDVZNCMLUQDJ-CQSZACIVSA-N 0 0 324.446 0.945 50 0 DCAARN CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cc2ccccc2[nH]1 ZINC000067851098 415390617 /nfs/dbraw/zinc/39/06/17/415390617.db2.gz LEICAPRDWHZHLZ-CQSZACIVSA-N 0 0 300.362 0.604 50 0 DCAARN O=C(Cn1cc(Cl)c(=O)[nH]c1=O)NC(=O)Nc1ccccc1 ZINC000081274026 415484968 /nfs/dbraw/zinc/48/49/68/415484968.db2.gz UVJVLVJMQINEOW-UHFFFAOYSA-N 0 0 322.708 0.538 50 0 DCAARN CC[C@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1N1CCOCC1 ZINC000084736085 415501030 /nfs/dbraw/zinc/50/10/30/415501030.db2.gz URICKAZSSNCIFF-GXTWGEPZSA-N 0 0 320.393 0.668 50 0 DCAARN COc1ccc(O[C@@H](C)C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000075106078 415431193 /nfs/dbraw/zinc/43/11/93/415431193.db2.gz YINZTGNGXRKTJG-RYUDHWBXSA-N 0 0 319.361 0.699 50 0 DCAARN COc1ccc(O[C@H](C)C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000075106079 415433276 /nfs/dbraw/zinc/43/32/76/415433276.db2.gz YINZTGNGXRKTJG-NEPJUHHUSA-N 0 0 319.361 0.699 50 0 DCAARN CSCC[C@@](C)(O)CNC(=O)C(=O)NCCc1ccccc1 ZINC000075157615 415435955 /nfs/dbraw/zinc/43/59/55/415435955.db2.gz QPKQVAIGKQBFFC-MRXNPFEDSA-N 0 0 324.446 0.966 50 0 DCAARN CCN(CCCNC(=O)c1ccc(C)[nH]c1=O)S(C)(=O)=O ZINC000075121778 415439142 /nfs/dbraw/zinc/43/91/42/415439142.db2.gz LBFCVNFTKURFDU-UHFFFAOYSA-N 0 0 315.395 0.085 50 0 DCAARN O=C(C1=NO[C@H](c2ccccc2)C1)N1CCN(CCO)CC1 ZINC000075572759 415446757 /nfs/dbraw/zinc/44/67/57/415446757.db2.gz BDHXCRZRZLVYMZ-HNNXBMFYSA-N 0 0 303.362 0.641 50 0 DCAARN O=C1[C@@H](n2cc(Cl)c(=O)[nH]c2=O)CCN1CC(F)(F)F ZINC000085253158 415506571 /nfs/dbraw/zinc/50/65/71/415506571.db2.gz BDONVEHFNJRHHM-LURJTMIESA-N 0 0 311.647 0.526 50 0 DCAARN C[C@@H]1CN(C)CCN1C(=O)c1ccc(N2CCOCC2)nc1 ZINC000089938576 415526344 /nfs/dbraw/zinc/52/63/44/415526344.db2.gz GBORODOCRMALHE-CYBMUJFWSA-N 0 0 304.394 0.694 50 0 DCAARN CC1CCC(O)(CN2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000089934203 415527257 /nfs/dbraw/zinc/52/72/57/415527257.db2.gz RSIJLORFKFHIRQ-UHFFFAOYSA-N 0 0 318.483 0.590 50 0 DCAARN COc1ccccc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000095349399 415549398 /nfs/dbraw/zinc/54/93/98/415549398.db2.gz CNVBEVOGLIJVKT-LBPRGKRZSA-N 0 0 309.366 0.510 50 0 DCAARN Cc1nnnn1[C@H](C(=O)N1CCc2[nH]cnc2C1)c1ccccc1 ZINC000095357688 415552217 /nfs/dbraw/zinc/55/22/17/415552217.db2.gz SOVCKDBBDDUXHN-HNNXBMFYSA-N 0 0 323.360 0.879 50 0 DCAARN Cc1cccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])n1 ZINC000095358185 415552301 /nfs/dbraw/zinc/55/23/01/415552301.db2.gz MPXYBHLYBIWRRE-CYBMUJFWSA-N 0 0 303.362 0.945 50 0 DCAARN CCN1C[C@H](C(=O)N2CCc3nnc(C(C)C)n3CC2)CC1=O ZINC000095369142 415553633 /nfs/dbraw/zinc/55/36/33/415553633.db2.gz OYYKKCHUNCYYQW-GFCCVEGCSA-N 0 0 319.409 0.655 50 0 DCAARN Cc1nccn1Cc1nnc([C@H]2CCC[N@H+](CC(=O)[O-])C2)n1C ZINC000095362315 415554767 /nfs/dbraw/zinc/55/47/67/415554767.db2.gz CYDNVAZBYNBJCN-LBPRGKRZSA-N 0 0 318.381 0.632 50 0 DCAARN Cc1c(CNC(=O)CN2C(=O)CNC2=O)oc2ccccc12 ZINC000095379510 415559942 /nfs/dbraw/zinc/55/99/42/415559942.db2.gz GKUWQAYESLHONH-UHFFFAOYSA-N 0 0 301.302 0.909 50 0 DCAARN CCc1nnc(NC(=O)CN(C)c2ncnc3nc[nH]c32)s1 ZINC000095954407 415562167 /nfs/dbraw/zinc/56/21/67/415562167.db2.gz BVTLGRBVEJSEEE-UHFFFAOYSA-N 0 0 318.366 0.842 50 0 DCAARN COC(=O)c1cc(=O)n(CCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000095929118 415563867 /nfs/dbraw/zinc/56/38/67/415563867.db2.gz ZOLCAQYXISMYAG-UHFFFAOYSA-N 0 0 318.285 0.295 50 0 DCAARN Cc1noc(CN2CCN(c3ncnc4c3cnn4C)CC2)n1 ZINC000095947607 415565249 /nfs/dbraw/zinc/56/52/49/415565249.db2.gz KHVHYGYTPZQNSP-UHFFFAOYSA-N 0 0 314.353 0.377 50 0 DCAARN CC(C)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000095951620 415565411 /nfs/dbraw/zinc/56/54/11/415565411.db2.gz DTPQITUNURTYBF-RYUDHWBXSA-N 0 0 304.412 0.773 50 0 DCAARN Cn1c(=O)oc2c1cccc2C(=O)Nc1ccnc2ncnn21 ZINC000096005838 415566542 /nfs/dbraw/zinc/56/65/42/415566542.db2.gz YAGSAZJIFTWVGE-UHFFFAOYSA-N 0 0 310.273 0.822 50 0 DCAARN C[C@@](NS(=O)(=O)c1ccccn1)(C(N)=O)c1ccccc1 ZINC000095972588 415567023 /nfs/dbraw/zinc/56/70/23/415567023.db2.gz ZTRXXRSDZOXLBX-AWEZNQCLSA-N 0 0 305.359 0.761 50 0 DCAARN Cc1nccn1Cc1cccc(CNC(=O)C(C)(CO)CO)c1 ZINC000095976459 415568216 /nfs/dbraw/zinc/56/82/16/415568216.db2.gz KZVQWFJCROZFLE-UHFFFAOYSA-N 0 0 317.389 0.847 50 0 DCAARN COc1cccc([C@@H](O)Cn2ncc3cnn(C)c(=O)c32)c1 ZINC000095974801 415568330 /nfs/dbraw/zinc/56/83/30/415568330.db2.gz MXOFVFSYPYTYCS-ZDUSSCGKSA-N 0 0 300.318 0.872 50 0 DCAARN CCN(C(=O)Cc1cn2ccccc2n1)[C@@H]1CC(=O)NC1=O ZINC000095963771 415569194 /nfs/dbraw/zinc/56/91/94/415569194.db2.gz QDOFJVGYTMWTJJ-LLVKDONJSA-N 0 0 300.318 0.140 50 0 DCAARN CN(C)S(=O)(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 ZINC000095961500 415569871 /nfs/dbraw/zinc/56/98/71/415569871.db2.gz XZJQGWGTYCHBMK-UHFFFAOYSA-N 0 0 308.367 0.893 50 0 DCAARN Cn1cnc(S(=O)(=O)NC[C@]2(O)CCOc3ccccc32)c1 ZINC000096026009 415571711 /nfs/dbraw/zinc/57/17/11/415571711.db2.gz GVOYKOAXYVXOKF-CQSZACIVSA-N 0 0 323.374 0.369 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](O)c1cccn1C ZINC000096025750 415572954 /nfs/dbraw/zinc/57/29/54/415572954.db2.gz OBQAEFWCEKZBDQ-GFCCVEGCSA-N 0 0 312.395 0.387 50 0 DCAARN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000106870889 415651281 /nfs/dbraw/zinc/65/12/81/415651281.db2.gz XKPOWSITRBQZQU-MGPQQGTHSA-N 0 0 309.410 0.034 50 0 DCAARN C[C@@H]1CN(C[C@@H](O)Cn2cnc3ccsc3c2=O)C[C@@H](C)O1 ZINC000106830523 415647752 /nfs/dbraw/zinc/64/77/52/415647752.db2.gz RTQCWLXAUMMDSV-IJLUTSLNSA-N 0 0 323.418 0.928 50 0 DCAARN CCNC(=O)CN1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000097098783 415580541 /nfs/dbraw/zinc/58/05/41/415580541.db2.gz NQLKSCSWARINON-UHFFFAOYSA-N 0 0 323.344 0.815 50 0 DCAARN CC(=O)N1CCN(C(=O)c2nc3ccccc3o2)C[C@H](O)C1 ZINC000097137837 415584389 /nfs/dbraw/zinc/58/43/89/415584389.db2.gz MLAOJYHAUJZTIK-LLVKDONJSA-N 0 0 303.318 0.493 50 0 DCAARN O=C(CCc1[nH]nc2c1CCCC2)NCCN1CCOCC1 ZINC000097179431 415585183 /nfs/dbraw/zinc/58/51/83/415585183.db2.gz ZUBPIFZJXXAOIN-UHFFFAOYSA-N 0 0 306.410 0.670 50 0 DCAARN CN(CC(=O)NC(C)(C)C)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000106905816 415652921 /nfs/dbraw/zinc/65/29/21/415652921.db2.gz NCKGNHZVOTWDQV-LBPRGKRZSA-N 0 0 321.425 0.789 50 0 DCAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1CSc1cccc[n+]1[O-] ZINC000110133860 415684960 /nfs/dbraw/zinc/68/49/60/415684960.db2.gz RSBRPQIGPJLIHJ-JTQLQIEISA-N 0 0 323.374 0.931 50 0 DCAARN O=C(NN1CCOCC1)[C@@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000114877021 415723144 /nfs/dbraw/zinc/72/31/44/415723144.db2.gz GQHDWLUVXYGHSG-CYBMUJFWSA-N 0 0 309.410 0.921 50 0 DCAARN COCCO[C@H]1C[C@H](CO)CN(C(=O)c2c[nH]cc(C)c2=O)C1 ZINC000334103831 415807039 /nfs/dbraw/zinc/80/70/39/415807039.db2.gz PIUMGEFVIHIRII-STQMWFEESA-N 0 0 324.377 0.169 50 0 DCAARN NC(=O)[C@H]1CC[C@H](CNC(=O)NCc2nc(C3CC3)cs2)O1 ZINC000152588132 415968458 /nfs/dbraw/zinc/96/84/58/415968458.db2.gz ADIDRAAIUDCXLB-MWLCHTKSSA-N 0 0 324.406 0.853 50 0 DCAARN Cn1cccc1CCC(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299756237 416064594 /nfs/dbraw/zinc/06/45/94/416064594.db2.gz FBMLEDDGGYRWBO-GJZGRUSLSA-N 0 0 315.377 0.922 50 0 DCAARN Cc1nn(CCNC(=O)CCN(C)S(C)(=O)=O)c(C)c1C ZINC000299771374 416065496 /nfs/dbraw/zinc/06/54/96/416065496.db2.gz VTWLAKPXHYBLNO-UHFFFAOYSA-N 0 0 316.427 0.206 50 0 DCAARN Cc1nc2c(c(=O)n1C)CCN(C(=O)c1cccn1C)CC2 ZINC000299768163 416065525 /nfs/dbraw/zinc/06/55/25/416065525.db2.gz HUWAAWVQILXQHN-UHFFFAOYSA-N 0 0 300.362 0.668 50 0 DCAARN COCC(=O)N1CC[C@@H](Nc2ncc(C(C)C)cn2)[C@H](O)C1 ZINC000299762427 416065792 /nfs/dbraw/zinc/06/57/92/416065792.db2.gz WESUIRHOVAVSJI-CHWSQXEVSA-N 0 0 308.382 0.620 50 0 DCAARN O=C(NCc1ccno1)C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000299763347 416065864 /nfs/dbraw/zinc/06/58/64/416065864.db2.gz ZJNQZNWSHZSCFC-ZDUSSCGKSA-N 0 0 307.350 0.708 50 0 DCAARN CC(=O)c1c(C)nn([C@H](C)CC(=O)NCCn2cnnn2)c1C ZINC000299764470 416066508 /nfs/dbraw/zinc/06/65/08/416066508.db2.gz HDUVXFSJOSGHJN-SECBINFHSA-N 0 0 319.369 0.457 50 0 DCAARN CCCc1noc([C@H](C)NC(=O)c2c[nH]nc2-n2cnnn2)n1 ZINC000299784530 416067165 /nfs/dbraw/zinc/06/71/65/416067165.db2.gz OERJQFLHNMSOCE-ZETCQYMHSA-N 0 0 317.313 0.212 50 0 DCAARN CCCN1C[C@H](C(=O)N2CCc3nc[nH]c(=O)c3C2)CCC1=O ZINC000299782951 416067252 /nfs/dbraw/zinc/06/72/52/416067252.db2.gz QRRGXNWEPPROCF-LLVKDONJSA-N 0 0 318.377 0.716 50 0 DCAARN O=C(CCCn1cccn1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299781831 416067859 /nfs/dbraw/zinc/06/78/59/416067859.db2.gz WLZWEBIUOOXNNB-KBPBESRZSA-N 0 0 316.365 0.627 50 0 DCAARN Cc1[nH]c(C(=O)N2CCOC[C@H](C[NH+](C)C)C2)c(C)c1C(=O)[O-] ZINC000299795704 416070610 /nfs/dbraw/zinc/07/06/10/416070610.db2.gz KWBYOKKPHJWBKI-GFCCVEGCSA-N 0 0 323.393 0.980 50 0 DCAARN Cc1ccn(CC(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)n1 ZINC000299797591 416071496 /nfs/dbraw/zinc/07/14/96/416071496.db2.gz OEVJIQFDBJIHLB-STQMWFEESA-N 0 0 302.338 0.155 50 0 DCAARN COc1cccc(C(=O)N2CCC[C@H]2CS(N)(=O)=O)c1O ZINC000331234857 416292772 /nfs/dbraw/zinc/29/27/72/416292772.db2.gz KYVKPFAIPJKQOC-VIFPVBQESA-N 0 0 314.363 0.294 50 0 DCAARN CCN(Cc1ccco1)[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000252463488 416334530 /nfs/dbraw/zinc/33/45/30/416334530.db2.gz YGXVLEKWKBDJKM-RYUDHWBXSA-N 0 0 314.407 0.793 50 0 DCAARN Cc1c(OCC(=O)Nc2ccncc2)c(=O)ccn1CCO ZINC000263588155 416338546 /nfs/dbraw/zinc/33/85/46/416338546.db2.gz PVWVITWKZTVESO-UHFFFAOYSA-N 0 0 303.318 0.562 50 0 DCAARN CN(CC[C@@H]1CCCCO1)C(=O)CCn1ccc(=O)[nH]c1=O ZINC000215178834 416327233 /nfs/dbraw/zinc/32/72/33/416327233.db2.gz DHGSWONEUHJPPA-LBPRGKRZSA-N 0 0 309.366 0.344 50 0 DCAARN CN1CC2(CCN(C(=O)Cc3cccnc3)CC2)OCC1=O ZINC000215685437 416327319 /nfs/dbraw/zinc/32/73/19/416327319.db2.gz XSUAKJPGXQRDCE-UHFFFAOYSA-N 0 0 303.362 0.474 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)NCCc1nc2ccccc2o1 ZINC000216135598 416327330 /nfs/dbraw/zinc/32/73/30/416327330.db2.gz AWAVXRUBRMCSJX-VIFPVBQESA-N 0 0 302.290 0.085 50 0 DCAARN COc1ccccc1-n1cc(C(=O)N(C)C[C@H](O)CO)cn1 ZINC000216414653 416327462 /nfs/dbraw/zinc/32/74/62/416327462.db2.gz UHGMQTRCEYSHER-LBPRGKRZSA-N 0 0 305.334 0.306 50 0 DCAARN Cn1c(=O)cc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)c2ccccc21 ZINC000216179662 416327533 /nfs/dbraw/zinc/32/75/33/416327533.db2.gz BPAIPIKOWNKLAL-SNVBAGLBSA-N 0 0 318.354 0.579 50 0 DCAARN Nc1nc(=O)cc(N2CCN(CCc3ccccn3)CC2)[nH]1 ZINC000240128286 416330041 /nfs/dbraw/zinc/33/00/41/416330041.db2.gz IPJBNWYSWTXOPK-UHFFFAOYSA-N 0 0 300.366 0.524 50 0 DCAARN CCCC[C@@H]1C(=O)N(C)CCN1CC(=O)Nc1ccn(C)n1 ZINC000244574768 416330358 /nfs/dbraw/zinc/33/03/58/416330358.db2.gz CRBSAJKLGHCYHQ-GFCCVEGCSA-N 0 0 307.398 0.691 50 0 DCAARN O=C(CN1CCOC1=O)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000244574984 416330565 /nfs/dbraw/zinc/33/05/65/416330565.db2.gz CURINEIQNXOPOM-KWCYVHTRSA-N 0 0 319.361 0.332 50 0 DCAARN COCCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cc[nH]c2)C1 ZINC000244787602 416331049 /nfs/dbraw/zinc/33/10/49/416331049.db2.gz QADXSIBDRPCSGQ-HAQNSBGRSA-N 0 0 319.365 0.421 50 0 DCAARN COC(=O)Cn1cc(S(=O)(=O)N(C)Cc2ccccn2)cn1 ZINC000360720733 416405188 /nfs/dbraw/zinc/40/51/88/416405188.db2.gz ZRHKVHYTULDBNA-UHFFFAOYSA-N 0 0 324.362 0.272 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000585115335 416518179 /nfs/dbraw/zinc/51/81/79/416518179.db2.gz WYRQEHXOLDLICU-JVUFJMBOSA-N 0 0 314.411 0.323 50 0 DCAARN CCOC(=O)c1cnc(NCc2cccc(CO)n2)nc1C ZINC000585141643 416520187 /nfs/dbraw/zinc/52/01/87/416520187.db2.gz DULYHMFVVLAJNE-UHFFFAOYSA-N 0 0 302.334 1.461 50 0 DCAARN Nc1n[nH]c(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1 ZINC000426519208 416769528 /nfs/dbraw/zinc/76/95/28/416769528.db2.gz GUTDAVPJBYRDFE-QMMMGPOBSA-N 0 0 304.285 0.268 50 0 DCAARN Nc1nc(=O)cc(N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)[nH]1 ZINC000426666941 416777023 /nfs/dbraw/zinc/77/70/23/416777023.db2.gz FEHFPBAZKHCSNS-LLVKDONJSA-N 0 0 303.366 0.769 50 0 DCAARN C[C@@H](NC(=O)c1cc2ccccc2n(C)c1=O)c1nc(N)n[nH]1 ZINC000426683720 416777983 /nfs/dbraw/zinc/77/79/83/416777983.db2.gz DIKGFICHVCRNNC-MRVPVSSYSA-N 0 0 312.333 0.730 50 0 DCAARN Cc1nc2ccc(N[C@H]3CCN(C4CCOCC4)C3=O)nn2n1 ZINC000376409328 417028705 /nfs/dbraw/zinc/02/87/05/417028705.db2.gz SGQUFEQXILHUEO-LBPRGKRZSA-N 0 0 316.365 0.625 50 0 DCAARN Cn1cnc(C(=O)N2CC(n3cc(COCC4CC4)nn3)C2)c1 ZINC000575552933 417539356 /nfs/dbraw/zinc/53/93/56/417539356.db2.gz KOEIKCJCTVWSEK-UHFFFAOYSA-N 0 0 316.365 0.635 50 0 DCAARN COCc1ncc(C)n1CC1CN(C(=O)c2nccn2C)C1 ZINC000575550835 417540191 /nfs/dbraw/zinc/54/01/91/417540191.db2.gz YJPJXVDICQDFHC-UHFFFAOYSA-N 0 0 303.366 0.844 50 0 DCAARN CS(=O)(=O)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 ZINC000575616951 417540980 /nfs/dbraw/zinc/54/09/80/417540980.db2.gz OOZBZRHUMHHWBP-NSHDSACASA-N 0 0 307.375 0.993 50 0 DCAARN O=C(NCCn1nc2c(cc1=O)CCCC2)NC1CCOCC1 ZINC000575608209 417541026 /nfs/dbraw/zinc/54/10/26/417541026.db2.gz MIQRKUMWBXMFCM-UHFFFAOYSA-N 0 0 320.393 0.600 50 0 DCAARN CCOCC(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C ZINC000575612296 417541176 /nfs/dbraw/zinc/54/11/76/417541176.db2.gz LGDOBMDOTVJBCU-UHFFFAOYSA-N 0 0 317.342 0.932 50 0 DCAARN COCCn1c(C)cnc1CCNC(=O)c1cnc(C)cn1 ZINC000575316342 417527706 /nfs/dbraw/zinc/52/77/06/417527706.db2.gz KJXARKLRPJLDBU-UHFFFAOYSA-N 0 0 303.366 0.909 50 0 DCAARN O=C1[C@H](n2cnc3c(c2=O)COCC3)CCN1CC(F)(F)F ZINC000647166038 417995019 /nfs/dbraw/zinc/99/50/19/417995019.db2.gz VAXWCXRREKTMFM-SNVBAGLBSA-N 0 0 317.267 0.652 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000299776893 229427070 /nfs/dbraw/zinc/42/70/70/229427070.db2.gz DYXGNEBRHBFUDL-MRVPVSSYSA-N 0 0 313.404 0.980 50 0 DCAARN C[NH+](C)CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)OCCCO2 ZINC000322502764 261178267 /nfs/dbraw/zinc/17/82/67/261178267.db2.gz RIXUJOBUFFAMCB-UHFFFAOYSA-N 0 0 322.361 0.936 50 0 DCAARN COC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000452934297 271923621 /nfs/dbraw/zinc/92/36/21/271923621.db2.gz VPEOIKWCPNOYIN-WDEREUQCSA-N 0 0 305.396 0.467 50 0 DCAARN CC1=C(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)SC2=NCCN21 ZINC000222997034 276174819 /nfs/dbraw/zinc/17/48/19/276174819.db2.gz BVJYMFUSDZWICY-AWEZNQCLSA-N 0 0 322.390 0.689 50 0 DCAARN CC(=O)N1CC[C@@H](NC(=O)c2ccc3c(c2)ncn3C)[C@H](O)C1 ZINC000244695620 277004662 /nfs/dbraw/zinc/00/46/62/277004662.db2.gz JPKYUMACXFBLRC-IUODEOHRSA-N 0 0 316.361 0.285 50 0 DCAARN CN1CCN([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000023116754 277111528 /nfs/dbraw/zinc/11/15/28/277111528.db2.gz HDUGVQZKQOYKMD-ZDUSSCGKSA-N 0 0 309.316 0.844 50 0 DCAARN CC(=O)N1CCC[C@H](C(=O)N2CCN(CC(C)(C)O)CC2)C1 ZINC000069897191 278018993 /nfs/dbraw/zinc/01/89/93/278018993.db2.gz XKPHEHATKUPIBT-AWEZNQCLSA-N 0 0 311.426 0.160 50 0 DCAARN CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1nccs1 ZINC000004111450 278176111 /nfs/dbraw/zinc/17/61/11/278176111.db2.gz RHHQUJJTTKYGOM-MRVPVSSYSA-N 0 0 305.381 0.021 50 0 DCAARN CC(C)C[C@H](C(=O)NCC[S@@](C)=O)N1CCCCC1=O ZINC000096461583 279075323 /nfs/dbraw/zinc/07/53/23/279075323.db2.gz RTGIDBSQHQEXHG-ODXCJYRJSA-N 0 0 302.440 0.908 50 0 DCAARN O=C1C[C@@H](N[C@@H]2CCCCNC2=O)C(=O)N1c1ccccc1 ZINC000101339364 280269232 /nfs/dbraw/zinc/26/92/32/280269232.db2.gz QRLYMGHWKKAQIU-CHWSQXEVSA-N 0 0 301.346 0.577 50 0 DCAARN O=c1[nH]cc(S(=O)(=O)N2CCCc3ccccc32)c(=O)[nH]1 ZINC000004479992 280387602 /nfs/dbraw/zinc/38/76/02/280387602.db2.gz WPVXUXNHDFMZGT-UHFFFAOYSA-N 0 0 307.331 0.205 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@]1(C)Sc2ccccc2N(C)C1=O ZINC000040808251 288965593 /nfs/dbraw/zinc/96/55/93/288965593.db2.gz VEJDEVQJULDVBU-HNNXBMFYSA-N 0 0 321.402 0.718 50 0 DCAARN Cc1nc2c(c(N3CC=CC3)n1)CCN(S(C)(=O)=O)CC2 ZINC000102557388 293403196 /nfs/dbraw/zinc/40/31/96/293403196.db2.gz GAPDMQKTVZYZNY-UHFFFAOYSA-N 0 0 308.407 0.521 50 0 DCAARN Cn1c2c(ccn2CC(=O)N2CCCCCC2)c(=O)n(C)c1=O ZINC000065030921 294175964 /nfs/dbraw/zinc/17/59/64/294175964.db2.gz VZKYHLHZDYUUBO-UHFFFAOYSA-N 0 0 318.377 0.441 50 0 DCAARN O=C(CN1CCOCC1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000331956526 295507736 /nfs/dbraw/zinc/50/77/36/295507736.db2.gz RWFICPJLYPZVRJ-CABCVRRESA-N 0 0 308.353 0.792 50 0 DCAARN O=S(=O)(N1CCCC1)N1CCC2(CC1)OCCC[C@@H]2O ZINC000091829825 304753763 /nfs/dbraw/zinc/75/37/63/304753763.db2.gz DDTJQTVUJNNTNF-LBPRGKRZSA-N 0 0 304.412 0.333 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(N)=O)CC(C)C ZINC000042159104 302745183 /nfs/dbraw/zinc/74/51/83/302745183.db2.gz HJEDGHMUAIOLMX-UHFFFAOYSA-N 0 0 302.400 0.169 50 0 DCAARN NC(=O)CN1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000252507029 303251312 /nfs/dbraw/zinc/25/13/12/303251312.db2.gz WFHCLOUSYVEADA-LLVKDONJSA-N 0 0 317.267 0.543 50 0 DCAARN Cn1nnnc1SCCC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000056892953 331786293 /nfs/dbraw/zinc/78/62/93/331786293.db2.gz DPNRJZWMEIXPLF-NSHDSACASA-N 0 0 319.390 0.812 50 0 DCAARN Cn1nnnc1SCCC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000056892954 331786303 /nfs/dbraw/zinc/78/63/03/331786303.db2.gz DPNRJZWMEIXPLF-LLVKDONJSA-N 0 0 319.390 0.812 50 0 DCAARN O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1ccc(=O)[nH]c1 ZINC000215966340 333387380 /nfs/dbraw/zinc/38/73/80/333387380.db2.gz UZTNQNQUTNMLJM-GFCCVEGCSA-N 0 0 313.361 0.811 50 0 DCAARN COCc1noc(CNC(=O)c2cnc(NC(C)C)nc2)n1 ZINC000534586745 334292119 /nfs/dbraw/zinc/29/21/19/334292119.db2.gz PIOBZSCGPNMHIG-UHFFFAOYSA-N 0 0 306.326 0.756 50 0 DCAARN O=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1cccn1C1CC1 ZINC000534650464 334311635 /nfs/dbraw/zinc/31/16/35/334311635.db2.gz MGRQYHHZPZWUNA-ZFWWWQNUSA-N 0 0 305.378 0.652 50 0 DCAARN O=C([C@H](O)c1cccc(Cl)c1)N1CCN(c2nc[nH]n2)CC1 ZINC000299784554 534623058 /nfs/dbraw/zinc/62/30/58/534623058.db2.gz IEVGHJNVYOTGIV-GFCCVEGCSA-N 0 0 321.768 0.840 50 0 DCAARN C[C@@H](O)CNC(=O)c1cncc(I)c1 ZINC000129242100 525805673 /nfs/dbraw/zinc/80/56/73/525805673.db2.gz YMXKDHYSEWSXDL-ZCFIWIBFSA-N 0 0 306.103 0.797 50 0 DCAARN CC(=O)c1ccc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000328587402 527331299 /nfs/dbraw/zinc/33/12/99/527331299.db2.gz MNSLINAKGINRAM-CQSZACIVSA-N 0 0 324.402 0.594 50 0 DCAARN CC(C)CCn1nccc1NC(=O)NCCNS(C)(=O)=O ZINC000299767515 527888854 /nfs/dbraw/zinc/88/88/54/527888854.db2.gz HTWJXSRXVCYGJN-UHFFFAOYSA-N 0 0 317.415 0.600 50 0 DCAARN CCN1OC[C@@H](N2CCC[C@@H](c3nnc4n3CCC4)C2)C1=O ZINC000408523286 527993599 /nfs/dbraw/zinc/99/35/99/527993599.db2.gz QQLPPLCUDYVWNL-VXGBXAGGSA-N 0 0 305.382 0.566 50 0 DCAARN CC(C)c1nnc2n1CCN(S(=O)(=O)c1ccnn1C)C2 ZINC000331834808 528473792 /nfs/dbraw/zinc/47/37/92/528473792.db2.gz KTQZJFVZANPJTC-UHFFFAOYSA-N 0 0 310.383 0.340 50 0 DCAARN NC(=O)c1cccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000084364142 545700429 /nfs/dbraw/zinc/70/04/29/545700429.db2.gz AWSMWFULVFWJMK-GJZGRUSLSA-N 0 0 317.389 0.457 50 0 DCAARN CCS(=O)(=O)CCN1CC[C@@H](N(C)Cc2ncc(C)o2)C1 ZINC000084811057 545705007 /nfs/dbraw/zinc/70/50/07/545705007.db2.gz WSZRBEBMDZCEPK-CYBMUJFWSA-N 0 0 315.439 0.924 50 0 DCAARN O=C1CN(S(=O)(=O)c2cccc3c2N=S=N3)CCCN1 ZINC000112209874 545735629 /nfs/dbraw/zinc/73/56/29/545735629.db2.gz KRLGTOSUQAGBGB-UHFFFAOYSA-N 0 0 312.376 0.924 50 0 DCAARN Cc1nn(CCCNC(=O)c2cc(=O)[nH]c(=O)[nH]2)c(C)c1C ZINC000215781507 545937542 /nfs/dbraw/zinc/93/75/42/545937542.db2.gz LZZRPAJOQBNTSR-UHFFFAOYSA-N 0 0 305.338 0.005 50 0 DCAARN CCN1CCN(Cc2cnc(NC[C@H]3CCCO3)nc2)CC1=O ZINC000215784888 545937898 /nfs/dbraw/zinc/93/78/98/545937898.db2.gz CSOMMBDSPKBBLI-CQSZACIVSA-N 0 0 319.409 0.732 50 0 DCAARN O=C([O-])c1n[nH]cc1C[N@@H+]1CCCO[C@H](Cn2cccn2)C1 ZINC000215826165 545938941 /nfs/dbraw/zinc/93/89/41/545938941.db2.gz GFBLQMVVCQBVDY-LBPRGKRZSA-N 0 0 305.338 0.596 50 0 DCAARN O=C(CNC(=O)c1ccccc1)N1CC[C@@H](c2ncon2)C1 ZINC000238845321 545960087 /nfs/dbraw/zinc/96/00/87/545960087.db2.gz IEEQAOPVOBVGNV-GFCCVEGCSA-N 0 0 300.318 0.816 50 0 DCAARN O=C(c1cccc(-n2cnnn2)c1)N1CC(Oc2cccnc2)C1 ZINC000238847871 545960284 /nfs/dbraw/zinc/96/02/84/545960284.db2.gz ITGRGIWCQLQEAE-UHFFFAOYSA-N 0 0 322.328 0.961 50 0 DCAARN COCCN(C[C@@H](O)C(F)(F)F)C(=O)Cc1c(C)n[nH]c1C ZINC000585091096 546303252 /nfs/dbraw/zinc/30/32/52/546303252.db2.gz XUAJDIZXLYPTTC-LLVKDONJSA-N 0 0 323.315 0.967 50 0 DCAARN NC(=O)CN(CC(N)=O)C(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000668021625 546683593 /nfs/dbraw/zinc/68/35/93/546683593.db2.gz LWWBLRNRZYBXTR-PRHODGIISA-N 0 0 303.309 0.001 50 0 DCAARN CCc1ccc(Cn2nc(CC(N)=O)nc2CNC(C)=O)cc1 ZINC000670436349 547089214 /nfs/dbraw/zinc/08/92/14/547089214.db2.gz PEAVLNXSGOSOLR-UHFFFAOYSA-N 0 0 315.377 0.553 50 0 DCAARN CCOC1CCN(S(=O)(=O)N2CCC[C@@H]2COC)CC1 ZINC000670449760 547095960 /nfs/dbraw/zinc/09/59/60/547095960.db2.gz OHMBVZCMWKMKME-GFCCVEGCSA-N 0 0 306.428 0.843 50 0 DCAARN CN1CCN(S(=O)(=O)c2ccc3[nH]cnc3c2)C[C@H]1CCO ZINC000670453677 547096700 /nfs/dbraw/zinc/09/67/00/547096700.db2.gz BCWQEMARPSJFDQ-LLVKDONJSA-N 0 0 324.406 0.250 50 0 DCAARN COc1cc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)ccn1 ZINC000670456680 547097832 /nfs/dbraw/zinc/09/78/32/547097832.db2.gz BAFRCINOAPGWCD-UHFFFAOYSA-N 0 0 302.338 0.166 50 0 DCAARN O=C(CCn1cnnn1)NCCN1CCCc2ccccc21 ZINC000670469107 547099847 /nfs/dbraw/zinc/09/98/47/547099847.db2.gz JPVRBWQLNARRQS-UHFFFAOYSA-N 0 0 300.366 0.632 50 0 DCAARN C[C@H](NC(=O)Cn1nc2ccccc2n1)c1nnc(N)s1 ZINC000670470025 547100940 /nfs/dbraw/zinc/10/09/40/547100940.db2.gz XYSHGCNEERSPSJ-ZETCQYMHSA-N 0 0 303.351 0.742 50 0 DCAARN CCNS(=O)(=O)[C@H]1CCN(c2nc(C)nc(C)c2F)C1 ZINC000678408192 547971966 /nfs/dbraw/zinc/97/19/66/547971966.db2.gz DUWMJNOWDHMULK-JTQLQIEISA-N 0 0 302.375 0.751 50 0 DCAARN CN(C)S(=O)(=O)N1CC[C@H](S(=O)(=O)Cc2ccco2)C1 ZINC000206695727 563634855 /nfs/dbraw/zinc/63/48/55/563634855.db2.gz UTULSHWHFXSBHW-NSHDSACASA-N 0 0 322.408 0.075 50 0 DCAARN Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2cc3n(n2)CCO3)cn1 ZINC000685942859 548747851 /nfs/dbraw/zinc/74/78/51/548747851.db2.gz XGXSXTAJHJNNIM-WCQYABFASA-N 0 0 317.349 0.739 50 0 DCAARN CN(C[C@@H]1CCOC1)C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000177330002 657530352 /nfs/dbraw/zinc/53/03/52/657530352.db2.gz QGTLZNVIJKWWMJ-LBPRGKRZSA-N 0 0 301.350 0.835 50 0 DCAARN O=C([C@@H]1COc2ccccc2O1)N1CC(Nc2ncccn2)C1 ZINC000238865559 665492749 /nfs/dbraw/zinc/49/27/49/665492749.db2.gz LRQJUEYSKJVJGF-AWEZNQCLSA-N 0 0 312.329 0.939 50 0 DCAARN NS(=O)(=O)c1ccc(Cl)nc1NCC(=O)NCC1CC1 ZINC000871590421 664746065 /nfs/dbraw/zinc/74/60/65/664746065.db2.gz SNEWPVXROXZSKA-UHFFFAOYSA-N 0 0 318.786 0.321 50 0 DCAARN CN(C[C@H]1COCCO1)c1nc2nonc2nc1N1CCCC1 ZINC000012074634 666320149 /nfs/dbraw/zinc/32/01/49/666320149.db2.gz IMJSIBNBVRJQOW-JTQLQIEISA-N 0 0 320.353 0.465 50 0 DCAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)N1CCCC1 ZINC000012747974 666400807 /nfs/dbraw/zinc/40/08/07/666400807.db2.gz DBJHJINRBPIKGY-OAHLLOKOSA-N 0 0 301.390 1.000 50 0 DCAARN C/C=C\CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOC ZINC000033926707 668197294 /nfs/dbraw/zinc/19/72/94/668197294.db2.gz ZAHZJQDWCFNMSU-PLNGDYQASA-N 0 0 310.379 0.738 50 0 DCAARN CNS(=O)(=O)[C@H]1CCCN(Cc2ccc3nonc3c2)C1 ZINC000846826708 672347214 /nfs/dbraw/zinc/34/72/14/672347214.db2.gz QMCLJRCDPHWLNL-NSHDSACASA-N 0 0 310.379 0.736 50 0 DCAARN COCCN(CCOC)C1CN(C(=O)O[C@@H]2CCOC2)C1 ZINC000952964946 685597984 /nfs/dbraw/zinc/59/79/84/685597984.db2.gz YPMDVHYVFZZAAZ-CYBMUJFWSA-N 0 0 302.371 0.191 50 0 DCAARN CC(C)c1nc(CNC(=O)NC[C@H]2CCS(=O)(=O)C2)no1 ZINC000952971417 685600384 /nfs/dbraw/zinc/60/03/84/685600384.db2.gz SGOSHGRQHCGRGG-SECBINFHSA-N 0 0 316.383 0.427 50 0 DCAARN CC1=C(C(=O)N2CCCC[C@H]2CN2CCOCC2)OCCO1 ZINC000952982418 685601636 /nfs/dbraw/zinc/60/16/36/685601636.db2.gz LTFSGAXXAXXHAU-AWEZNQCLSA-N 0 0 310.394 0.978 50 0 DCAARN CC[C@H](O)C(=O)N1CCC(CNC(=O)c2cnccn2)CC1 ZINC000952982459 685601863 /nfs/dbraw/zinc/60/18/63/685601863.db2.gz LVRRVYLKPMZLOU-ZDUSSCGKSA-N 0 0 306.366 0.216 50 0 DCAARN CC[C@@H]1NC(=O)[C@H]2CN(Cc3cn(CC)nc3C)CCN2C1=O ZINC000014535406 685047890 /nfs/dbraw/zinc/04/78/90/685047890.db2.gz RPQZFGWOWLLCCL-UONOGXRCSA-N 0 0 319.409 0.133 50 0 DCAARN COc1ccccc1CN1CCN2C(=O)[C@H](C)NC(=O)[C@H]2C1 ZINC000014748532 685048406 /nfs/dbraw/zinc/04/84/06/685048406.db2.gz TWQOIFHXRIRUOQ-WCQYABFASA-N 0 0 303.362 0.226 50 0 DCAARN N#Cc1ccc(C(=O)NCc2cc(N3CCOCC3)ncn2)cn1 ZINC000072474860 685074786 /nfs/dbraw/zinc/07/47/86/685074786.db2.gz XTAHMGSLQKRNKR-UHFFFAOYSA-N 0 0 324.344 0.510 50 0 DCAARN CCc1cccc(NC(=O)CN2CC[C@](O)(c3cn[nH]n3)C2)c1 ZINC000284983390 685202255 /nfs/dbraw/zinc/20/22/55/685202255.db2.gz YVWKDMNLJBHFAA-MRXNPFEDSA-N 0 0 315.377 0.899 50 0 DCAARN COc1ccc(C(=O)[O-])cc1CN1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001772710900 1157848086 /nfs/dbraw/zinc/84/80/86/1157848086.db2.gz UMKOOUMUMHWSBQ-CJNGLKHVSA-N 0 0 306.362 0.407 50 0 DCAARN O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cnc[nH]c1=O ZINC001704298434 1179964767 /nfs/dbraw/zinc/96/47/67/1179964767.db2.gz JRFCJAGMQJXNFC-YPMHNXCESA-N 0 0 300.318 0.565 50 0 DCAARN Cc1nc(C)c(C)c(N2C[C@@H]3COC[C@H](C2)[N@H+](CC(=O)[O-])C3)n1 ZINC001704309007 1179968436 /nfs/dbraw/zinc/96/84/36/1179968436.db2.gz UZUXPKRSPJBFRF-KGLIPLIRSA-N 0 0 320.393 0.623 50 0 DCAARN Cc1cnc(C)nc1N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C ZINC001704325105 1179973788 /nfs/dbraw/zinc/97/37/88/1179973788.db2.gz DISZHVYCJZUIID-RYUDHWBXSA-N 0 0 314.411 0.412 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cnc(N)s3)C[C@H]2O)on1 ZINC001704328696 1179973974 /nfs/dbraw/zinc/97/39/74/1179973974.db2.gz NFRIBFXKYYSKAI-PSASIEDQSA-N 0 0 308.363 0.697 50 0 DCAARN Cc1nccn1CC(=O)N1CCC2(CC1)C[C@](C)(O)[C@@H](O)CO2 ZINC001704336334 1179977725 /nfs/dbraw/zinc/97/77/25/1179977725.db2.gz GFJDCQFHGGSGJA-ZFWWWQNUSA-N 0 0 323.393 0.085 50 0 DCAARN O=C(c1ccc(CO)o1)N1C[C@@H](Cc2ccncc2)[C@H](O)C1 ZINC001704339691 1179979142 /nfs/dbraw/zinc/97/91/42/1179979142.db2.gz WTLDAPQCEHQJRV-TZMCWYRMSA-N 0 0 302.330 0.843 50 0 DCAARN CS(=O)(=O)NCCC(=O)N1CCC[C@]2(CCC[C@H]2O)C1 ZINC001704340880 1179979213 /nfs/dbraw/zinc/97/92/13/1179979213.db2.gz WLVVHAREEOHYCQ-DGCLKSJQSA-N 0 0 304.412 0.079 50 0 DCAARN Cc1cc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)nc(C)n1 ZINC001704353784 1179982906 /nfs/dbraw/zinc/98/29/06/1179982906.db2.gz LRCRUBKUQJRXPX-IUODEOHRSA-N 0 0 313.361 0.559 50 0 DCAARN Cc1cc(CNC(=O)[C@H]2CCCCC3N=NC(=O)N32)n(C)n1 ZINC000675012347 748025926 /nfs/dbraw/zinc/02/59/26/748025926.db2.gz IIHPAHNNYBOAET-LLVKDONJSA-N 0 0 304.354 0.610 50 0 DCAARN CCn1cnnc1[C@@H](C)NC(=O)c1ccc(-n2cnnc2)nc1 ZINC000823592499 758251950 /nfs/dbraw/zinc/25/19/50/758251950.db2.gz MHPAPWUVYIBNRT-SNVBAGLBSA-N 0 0 312.337 0.765 50 0 DCAARN Cc1n[nH]c(C)c1S(=O)(=O)N(C)C[C@H]1CC(=O)N(C)C1 ZINC000823754624 758265035 /nfs/dbraw/zinc/26/50/35/758265035.db2.gz ASHJJZYDUGJBMV-JTQLQIEISA-N 0 0 300.384 0.125 50 0 DCAARN CC(C)c1noc([C@@H](C)NS(=O)(=O)N2CCN(C)CC2)n1 ZINC000823791312 758275755 /nfs/dbraw/zinc/27/57/55/758275755.db2.gz YQEFICXYCFIEAK-SNVBAGLBSA-N 0 0 317.415 0.336 50 0 DCAARN COC(=O)C[C@@H](c1cnn(C)c1)c1c(O)cc(C)n(C)c1=O ZINC000824134585 758759327 /nfs/dbraw/zinc/75/93/27/758759327.db2.gz OGWDXTQZJUWHTL-NSHDSACASA-N 0 0 305.334 0.828 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@H]2COC[C@@H]2OC)c(OC)c1 ZINC000824506592 758777351 /nfs/dbraw/zinc/77/73/51/758777351.db2.gz JRRGXVRJBRHLJA-JQWIXIFHSA-N 0 0 317.363 0.396 50 0 DCAARN COc1ncc(CN2CCCN(c3ncccn3)CC2)cn1 ZINC000824852130 758790480 /nfs/dbraw/zinc/79/04/80/758790480.db2.gz XDTPUHOBXGNQCV-UHFFFAOYSA-N 0 0 300.366 0.988 50 0 DCAARN Cc1n[nH]c(C)c1Cc1nc(CC(N)=O)nn1-c1ccncc1 ZINC000826841801 758845477 /nfs/dbraw/zinc/84/54/77/758845477.db2.gz AFLIXUXKGRQUTR-UHFFFAOYSA-N 0 0 311.349 0.621 50 0 DCAARN O=C(CN1CCCC1=O)NC[C@@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000827831797 758887365 /nfs/dbraw/zinc/88/73/65/758887365.db2.gz HXIVTJLUFIAKFV-ZDUSSCGKSA-N 0 0 319.409 0.360 50 0 DCAARN Cn1nc(C(=O)NCc2nccc(N3CCCC3)n2)ccc1=O ZINC000585449972 768081810 /nfs/dbraw/zinc/08/18/10/768081810.db2.gz MEVGTEKMOFHCFX-UHFFFAOYSA-N 0 0 314.349 0.101 50 0 DCAARN Cc1noc(C)c1C[C@H](C)NS(=O)(=O)[C@H]1CC(=O)N(C)C1 ZINC000585115126 766284137 /nfs/dbraw/zinc/28/41/37/766284137.db2.gz NKDJIGPENXMQPI-KWQFWETISA-N 0 0 315.395 0.373 50 0 DCAARN Cc1nnc(Cc2noc(CCn3c(C)csc3=O)n2)[nH]1 ZINC000585120335 766287448 /nfs/dbraw/zinc/28/74/48/766287448.db2.gz IHUDWMPAXVDBSL-UHFFFAOYSA-N 0 0 306.351 0.861 50 0 DCAARN C[C@H](CC(=O)N1C[C@@H](O)[C@@H](O)[C@@H](O)C1)Cc1cccc(F)c1 ZINC000585127735 766289830 /nfs/dbraw/zinc/28/98/30/766289830.db2.gz ICBSSZIMWJXKNY-BWPSIRRCSA-N 0 0 311.353 0.319 50 0 DCAARN COCCN(CCOC)C1CN(C(=O)CCc2ccncc2)C1 ZINC000585130035 766291830 /nfs/dbraw/zinc/29/18/30/766291830.db2.gz FXFQJLNKWYPYID-UHFFFAOYSA-N 0 0 321.421 0.820 50 0 DCAARN CCOC[C@@H](O)Cn1cnc2c(ncn2-c2ccccc2)c1=O ZINC000585137914 766293874 /nfs/dbraw/zinc/29/38/74/766293874.db2.gz AEBQLJPHMLYCLJ-ZDUSSCGKSA-N 0 0 314.345 0.980 50 0 DCAARN CCC1=NO[C@H](CNC(=O)CCC(=O)Nc2nncs2)C1 ZINC000952860384 768921529 /nfs/dbraw/zinc/92/15/29/768921529.db2.gz OBOSSHLUTRKTKY-VIFPVBQESA-N 0 0 311.367 0.928 50 0 DCAARN CC1(C(=O)NC[C@@H]2CCCN(S(N)(=O)=O)C2)CCCC1 ZINC000952873106 768936136 /nfs/dbraw/zinc/93/61/36/768936136.db2.gz GOPHAFYTYKXADQ-NSHDSACASA-N 0 0 303.428 0.598 50 0 DCAARN CC1(CCC(=O)NCC2CCN(S(N)(=O)=O)CC2)CC1 ZINC000952873610 768937398 /nfs/dbraw/zinc/93/73/98/768937398.db2.gz MHJGGGFFDRBFNC-UHFFFAOYSA-N 0 0 303.428 0.598 50 0 DCAARN CC[C@@H](C)CS(=O)(=O)NCc1cn(C(C)C)c(=O)[nH]c1=O ZINC000952883898 768951836 /nfs/dbraw/zinc/95/18/36/768951836.db2.gz SUUYRYWXQJLIOX-SNVBAGLBSA-N 0 0 317.411 0.995 50 0 DCAARN CN1C(=O)[C@H](Cc2ncnn2CCc2ccccc2)N(C)C1=O ZINC000885939079 775066158 /nfs/dbraw/zinc/06/61/58/775066158.db2.gz QNETUCSMCRUTFP-ZDUSSCGKSA-N 0 0 313.361 0.956 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cc(C)nn3C)C[C@H]2O)[nH]n1 ZINC001529167871 1014511791 /nfs/dbraw/zinc/51/17/91/1014511791.db2.gz PZUZYZMOEZNXBT-BXUZGUMPSA-N 0 0 303.366 0.436 50 0 DCAARN Cc1ncccc1CN1C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C1 ZINC001529172380 1014512829 /nfs/dbraw/zinc/51/28/29/1014512829.db2.gz GLPJVKIZSVIRAD-KBPBESRZSA-N 0 0 313.423 0.074 50 0 DCAARN CCS(=O)(=O)N1CCN(C2CSCCSC2)CC1 ZINC001506405604 1017255392 /nfs/dbraw/zinc/25/53/92/1017255392.db2.gz VQMRDEWGUNTKRM-UHFFFAOYSA-N 0 0 310.510 0.802 50 0 DCAARN COCCc1noc(CN(C)c2ncc(F)c(N(C)C)n2)n1 ZINC001506399967 1017256027 /nfs/dbraw/zinc/25/60/27/1017256027.db2.gz RWNYJRNVHRWMHG-UHFFFAOYSA-N 0 0 310.333 0.890 50 0 DCAARN CN1C[C@H](CNC(=O)/C=C/c2cc(CO)cs2)OCC1=O ZINC001506408040 1017258988 /nfs/dbraw/zinc/25/89/88/1017258988.db2.gz UZRGCRNGHIPZMQ-VUDBWIFFSA-N 0 0 310.375 0.227 50 0 DCAARN CCc1nc(N2CCN(c3ncccc3C(N)=O)CC2)no1 ZINC001506406452 1017259208 /nfs/dbraw/zinc/25/92/08/1017259208.db2.gz KSTUBDKQVMHIOK-UHFFFAOYSA-N 0 0 302.338 0.453 50 0 DCAARN Cc1noc(-c2ccnc(N3CCO[C@@H](C(=O)N(C)C)C3)c2)n1 ZINC001506416860 1017262762 /nfs/dbraw/zinc/26/27/62/1017262762.db2.gz MXGVXOMOFAHIKL-GFCCVEGCSA-N 0 0 317.349 0.733 50 0 DCAARN COc1cccn(CC(=O)N(C)Cc2cc(C)nn2C)c1=O ZINC000095502920 185374928 /nfs/dbraw/zinc/37/49/28/185374928.db2.gz WGNOLTSYFFXOKM-UHFFFAOYSA-N 0 0 304.350 0.557 50 0 DCAARN C[C@H](NS(C)(=O)=O)C(=O)NCCc1nc2ccccc2n1C ZINC000077009404 185066505 /nfs/dbraw/zinc/06/65/05/185066505.db2.gz AQQGWAJTMZHYGD-JTQLQIEISA-N 0 0 324.406 0.170 50 0 DCAARN O=C(CN1CCO[C@@H](CNc2cccnn2)C1)N1CCCCC1 ZINC000078893770 185124377 /nfs/dbraw/zinc/12/43/77/185124377.db2.gz VXSMQTGZSCQGQI-AWEZNQCLSA-N 0 0 319.409 0.602 50 0 DCAARN C[C@H](O)CN(Cc1nc(N)nc(N(C)C)n1)c1ccccc1 ZINC000083170129 185215899 /nfs/dbraw/zinc/21/58/99/185215899.db2.gz FHBLLOWXKBELEL-NSHDSACASA-N 0 0 302.382 0.907 50 0 DCAARN O=C([O-])C[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000082099059 192354770 /nfs/dbraw/zinc/35/47/70/192354770.db2.gz IZLQKTGSFOOHQN-INIZCTEOSA-N 0 0 320.393 0.741 50 0 DCAARN CC(=O)N1CCN(C(=O)CSc2nnc(C)n2C2CC2)CC1 ZINC000006852343 190625314 /nfs/dbraw/zinc/62/53/14/190625314.db2.gz OGQZDKAOQGZCFG-UHFFFAOYSA-N 0 0 323.422 0.704 50 0 DCAARN O=C(NCCN1CCN(c2nc(C3CC3)no2)CC1)C1CCC1 ZINC000095408833 185356760 /nfs/dbraw/zinc/35/67/60/185356760.db2.gz BZUHKSGQHIECEJ-UHFFFAOYSA-N 0 0 319.409 0.985 50 0 DCAARN Cc1nn(C)c2c1ncnc2N1CCN(C(=O)C2CC2)CC1 ZINC000028557325 282278291 /nfs/dbraw/zinc/27/82/91/282278291.db2.gz CEUUWPAKISNVPN-UHFFFAOYSA-N 0 0 300.366 0.730 50 0 DCAARN O=C1CC[C@@H](NS(=O)(=O)c2cccc3cccnc32)C(=O)N1 ZINC000095443787 185367106 /nfs/dbraw/zinc/36/71/06/185367106.db2.gz KBXZJIXIIGAXME-SNVBAGLBSA-N 0 0 319.342 0.318 50 0 DCAARN NC(=O)C1CCN(S(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000095437243 185365410 /nfs/dbraw/zinc/36/54/10/185365410.db2.gz VBFYIOLBXUIXSS-UHFFFAOYSA-N 0 0 303.771 0.621 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ncon1 ZINC000095453159 185369441 /nfs/dbraw/zinc/36/94/41/185369441.db2.gz MPLWXWQOIQKDCX-UWVGGRQHSA-N 0 0 316.383 0.451 50 0 DCAARN CCC(CO)(CO)NC(=O)[C@@H](C)OCc1cccc(OC)c1 ZINC000095456329 185370035 /nfs/dbraw/zinc/37/00/35/185370035.db2.gz VMNMGRAVDDAPOB-GFCCVEGCSA-N 0 0 311.378 0.850 50 0 DCAARN CCO[C@H]1C[C@@H](N2CCN(C(=O)C(=O)NC3CC3)CC2)C1(C)C ZINC000095457047 185370252 /nfs/dbraw/zinc/37/02/52/185370252.db2.gz PBBMIRPCSWACDX-KGLIPLIRSA-N 0 0 323.437 0.613 50 0 DCAARN CCn1cnnc1CNC(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000095459415 185370684 /nfs/dbraw/zinc/37/06/84/185370684.db2.gz QBIXMSDEXBBUFA-NSHDSACASA-N 0 0 309.370 0.783 50 0 DCAARN O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)N1CCOCC1 ZINC000024487693 190649416 /nfs/dbraw/zinc/64/94/16/190649416.db2.gz DKYWKTZJTJRHMD-NSHDSACASA-N 0 0 318.329 0.627 50 0 DCAARN O=C(NCCO)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000097110844 185411443 /nfs/dbraw/zinc/41/14/43/185411443.db2.gz ZRMBSIUKJCGWFL-NEPJUHHUSA-N 0 0 312.366 0.077 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1sccc1C(N)=O ZINC000044357491 190673553 /nfs/dbraw/zinc/67/35/53/190673553.db2.gz UGOJNDDKNVXKEX-QMMMGPOBSA-N 0 0 317.392 0.210 50 0 DCAARN Cc1nnc2n1C[C@H](NC(=O)c1ccc(-n3cccn3)nc1)CC2 ZINC000065530340 282362082 /nfs/dbraw/zinc/36/20/82/282362082.db2.gz TYUHXMBKHKQPMT-CYBMUJFWSA-N 0 0 323.360 0.912 50 0 DCAARN COc1ccc(C(=O)N2CCO[C@@H](COCC3CC3)C2)nn1 ZINC000170600910 197784917 /nfs/dbraw/zinc/78/49/17/197784917.db2.gz DUJXOHSRFZCBDT-GFCCVEGCSA-N 0 0 307.350 0.753 50 0 DCAARN COc1ncccc1OCC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000330926655 232168457 /nfs/dbraw/zinc/16/84/57/232168457.db2.gz XFJXNYQCRGUYGT-LBPRGKRZSA-N 0 0 307.350 0.596 50 0 DCAARN CC(C)[C@@H](NC(=O)c1cnc2c(c1)nnn2C)c1ncon1 ZINC000170617813 197792522 /nfs/dbraw/zinc/79/25/22/197792522.db2.gz LYWVVTCBOAIKLN-SNVBAGLBSA-N 0 0 301.310 0.873 50 0 DCAARN Cc1nc(CN(C)C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)no1 ZINC000181805665 199354607 /nfs/dbraw/zinc/35/46/07/199354607.db2.gz GBELSYGQCWKYEW-QMMMGPOBSA-N 0 0 320.271 0.747 50 0 DCAARN Nc1nnc(CC(=O)N2CCC3(CC2)CCNC(=O)CC3)s1 ZINC000067974346 190740534 /nfs/dbraw/zinc/74/05/34/190740534.db2.gz VHVWKQBREJJZII-UHFFFAOYSA-N 0 0 323.422 0.572 50 0 DCAARN CCC(=O)NCCn1cnc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000064755558 545659783 /nfs/dbraw/zinc/65/97/83/545659783.db2.gz AJLYYFXUTIJSIO-UHFFFAOYSA-N 0 0 324.406 0.813 50 0 DCAARN O=C(Nc1c[nH]ccc1=O)C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000044900755 303997177 /nfs/dbraw/zinc/99/71/77/303997177.db2.gz XYOKMALEBUKLQC-GFCCVEGCSA-N 0 0 315.329 0.033 50 0 DCAARN COC(=O)[C@H](C)NC(=O)Cn1nc(-c2cccs2)ccc1=O ZINC000071279869 190952245 /nfs/dbraw/zinc/95/22/45/190952245.db2.gz XHZKJGQLXUBBIN-VIFPVBQESA-N 0 0 321.358 0.650 50 0 DCAARN CCOC(=O)[C@H](C)CNS(=O)(=O)c1c(C)nn(CC)c1C ZINC000083836738 192385812 /nfs/dbraw/zinc/38/58/12/192385812.db2.gz ILBHELMKPJKPJR-SECBINFHSA-N 0 0 317.411 0.997 50 0 DCAARN O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N1C[C@@H](F)C[C@H]1CO ZINC000331371119 233209381 /nfs/dbraw/zinc/20/93/81/233209381.db2.gz IOCMTYXDEJFYJV-ILXRZTDVSA-N 0 0 320.364 0.966 50 0 DCAARN O[C@@H]1CN(c2ncnc3ccsc32)CC[C@H]1N1CCOCC1 ZINC000071707908 191011666 /nfs/dbraw/zinc/01/16/66/191011666.db2.gz UWMAONZOWNTLLK-CHWSQXEVSA-N 0 0 320.418 0.963 50 0 DCAARN CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)[C@@H]1CNCC(=O)N1 ZINC000071681162 191007715 /nfs/dbraw/zinc/00/77/15/191007715.db2.gz ROQNVVCWZRMZEE-NSHDSACASA-N 0 0 319.390 0.185 50 0 DCAARN COc1ccccc1OCc1cc(C(=O)N2CC(O)C2)n[nH]1 ZINC000071749800 191021775 /nfs/dbraw/zinc/02/17/75/191021775.db2.gz HZSYPALQRXXGTN-UHFFFAOYSA-N 0 0 303.318 0.814 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(Cl)cn1 ZINC000071752475 191023565 /nfs/dbraw/zinc/02/35/65/191023565.db2.gz YIOGQNVZONUZTL-JTQLQIEISA-N 0 0 311.725 0.239 50 0 DCAARN CC(C)c1cc(NCc2noc(C(N)=O)n2)n2nccc2n1 ZINC000072125448 191042210 /nfs/dbraw/zinc/04/22/10/191042210.db2.gz GLJDXFRDYUCWRF-UHFFFAOYSA-N 0 0 301.310 0.947 50 0 DCAARN CN1C[C@]2(CCCN(c3ncccc3C(N)=O)CC2)OC1=O ZINC000072146014 191053556 /nfs/dbraw/zinc/05/35/56/191053556.db2.gz PIVJNANYTLTNMH-OAHLLOKOSA-N 0 0 304.350 0.992 50 0 DCAARN O=C(CN1CCc2ccccc2C1)N1CCC[C@@](O)(CO)C1 ZINC000072146460 191053567 /nfs/dbraw/zinc/05/35/67/191053567.db2.gz WQMTVCZQBRYMBL-KRWDZBQOSA-N 0 0 304.390 0.391 50 0 DCAARN Nc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cccc3nccnc31)C2 ZINC000072148560 191054699 /nfs/dbraw/zinc/05/46/99/191054699.db2.gz FZUNLNONBWMYGU-UHFFFAOYSA-N 0 0 322.328 0.494 50 0 DCAARN CCS(=O)(=O)N1CCN(CCNC(=O)C2CCCC2)CC1 ZINC000072243049 191086040 /nfs/dbraw/zinc/08/60/40/191086040.db2.gz CIJXHNICOKDXPT-UHFFFAOYSA-N 0 0 317.455 0.260 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)Cc2cn3ccsc3n2)CC1 ZINC000072253334 191087764 /nfs/dbraw/zinc/08/77/64/191087764.db2.gz HEHTZOUTDNDEHY-NSHDSACASA-N 0 0 308.407 0.463 50 0 DCAARN CCOCCN1CCN([C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000084801343 192468161 /nfs/dbraw/zinc/46/81/61/192468161.db2.gz QJRYZLBODFERFQ-HNNXBMFYSA-N 0 0 321.425 0.180 50 0 DCAARN CCc1cc(=O)n2nc(N(CC)[C@H]3CCNC3=O)sc2n1 ZINC000225646414 186286602 /nfs/dbraw/zinc/28/66/02/186286602.db2.gz MMIVAMSLTMSPAN-VIFPVBQESA-N 0 0 307.379 0.428 50 0 DCAARN Cc1cc(C(=O)N2CC(S(=O)(=O)c3nccn3C)C2)c(C)o1 ZINC000225677104 186288834 /nfs/dbraw/zinc/28/88/34/186288834.db2.gz GUSBOPWQLUGJOQ-UHFFFAOYSA-N 0 0 323.374 0.928 50 0 DCAARN CC(C)(C(=O)N[C@H]1Cc2ccccc2[C@H]1O)N1CCOCC1 ZINC000253392898 186303761 /nfs/dbraw/zinc/30/37/61/186303761.db2.gz FFWVRBULUXKYDE-LSDHHAIUSA-N 0 0 304.390 0.872 50 0 DCAARN CS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2COc3ccccc32)C1 ZINC000253394989 186303964 /nfs/dbraw/zinc/30/39/64/186303964.db2.gz RXSHQLIMLOSTRK-JQWIXIFHSA-N 0 0 310.375 0.949 50 0 DCAARN O=C1CO[C@@H]2CCN(Cc3ncnn3-c3ccccc3)C[C@@H]2N1 ZINC000253396732 186305398 /nfs/dbraw/zinc/30/53/98/186305398.db2.gz AXYCLZXPBSSYGR-UONOGXRCSA-N 0 0 313.361 0.357 50 0 DCAARN Cc1ccc(F)cc1S(=O)(=O)N1CCn2c(n[nH]c2=O)C1 ZINC000253408120 186308039 /nfs/dbraw/zinc/30/80/39/186308039.db2.gz KLBRMVGHFMSTET-UHFFFAOYSA-N 0 0 312.326 0.223 50 0 DCAARN O=C(Nc1nn[nH]n1)[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000253412518 186310005 /nfs/dbraw/zinc/31/00/05/186310005.db2.gz RFZBWYGNCUWQJS-VIFPVBQESA-N 0 0 304.285 0.326 50 0 DCAARN CCCCN1C(=O)CC[C@H]2CN(C(=O)c3c[nH]c(=O)[nH]3)CC[C@H]21 ZINC000072409509 191153419 /nfs/dbraw/zinc/15/34/19/191153419.db2.gz HNPAEXZZLVGADT-WCQYABFASA-N 0 0 320.393 0.956 50 0 DCAARN COc1ccc2nnc(CCCC(=O)NC[C@@H]3CCCO3)n2n1 ZINC000072404261 191152026 /nfs/dbraw/zinc/15/20/26/191152026.db2.gz MMNNRKFQHADNEZ-NSHDSACASA-N 0 0 319.365 0.751 50 0 DCAARN Cc1nc(CC(=O)NCCNc2nc(C)cc(=O)[nH]2)cs1 ZINC000072439191 191167852 /nfs/dbraw/zinc/16/78/52/191167852.db2.gz UBRFJVLJINOTLE-UHFFFAOYSA-N 0 0 307.379 0.614 50 0 DCAARN CN1C[C@@H](C(=O)N2CCN(Cc3cccc(F)c3)CC2)NC1=O ZINC000072458597 191172625 /nfs/dbraw/zinc/17/26/25/191172625.db2.gz KXGQOFURDJWZLS-AWEZNQCLSA-N 0 0 320.368 0.494 50 0 DCAARN Cc1nc(N2CCN(C)CC2)ncc1C(=O)NC[C@@H]1CCCO1 ZINC000072466403 191174004 /nfs/dbraw/zinc/17/40/04/191174004.db2.gz WMYHHPFMXYKJFE-ZDUSSCGKSA-N 0 0 319.409 0.446 50 0 DCAARN Cc1nc([C@H]2CCCN(C(=O)CO)C2)cc(N2CCOCC2)n1 ZINC000072479264 191179407 /nfs/dbraw/zinc/17/94/07/191179407.db2.gz CVKJYBSIIZBZJG-ZDUSSCGKSA-N 0 0 320.393 0.320 50 0 DCAARN CCc1cc(NCCS(=O)(=O)NC)n2nc(C)c(C)c2n1 ZINC000072481603 191180641 /nfs/dbraw/zinc/18/06/41/191180641.db2.gz YMEIDBLNBRUOKY-UHFFFAOYSA-N 0 0 311.411 0.870 50 0 DCAARN CN(C)c1nc(N)nc(Cn2c3ccccc3sc2=O)n1 ZINC000072675021 191212381 /nfs/dbraw/zinc/21/23/81/191212381.db2.gz VSSGRTXNSCKZBP-UHFFFAOYSA-N 0 0 302.363 0.945 50 0 DCAARN Cn1c2ccc(S(=O)(=O)NCc3ccco3)cc2n(C)c1=O ZINC000000814675 180834452 /nfs/dbraw/zinc/83/44/52/180834452.db2.gz AXQQFZXXDMKHJP-UHFFFAOYSA-N 0 0 321.358 0.949 50 0 DCAARN CCNS(=O)(=O)c1ccc(NC(=O)C(=O)OCC)cc1 ZINC000002876508 180966610 /nfs/dbraw/zinc/96/66/10/180966610.db2.gz AMWJJGMQEPBMAL-UHFFFAOYSA-N 0 0 300.336 0.486 50 0 DCAARN COc1ccc(N2C(=O)C[C@H](SC[C@@H]([NH3+])C(=O)[O-])C2=O)cc1 ZINC000003856067 181050256 /nfs/dbraw/zinc/05/02/56/181050256.db2.gz PTIQUTKBLSYTIH-MNOVXSKESA-N 0 0 324.358 0.472 50 0 DCAARN CCOC(=O)C(C(=O)OCC)C(C(=O)OCC)C(=O)OCC ZINC000003861036 181050314 /nfs/dbraw/zinc/05/03/14/181050314.db2.gz UQSBVZIXVVORQC-UHFFFAOYSA-N 0 0 318.322 0.471 50 0 DCAARN CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1ccccc1C ZINC000004035448 181064920 /nfs/dbraw/zinc/06/49/20/181064920.db2.gz UHRDHVTYMAPEJS-ZDUSSCGKSA-N 0 0 312.391 0.873 50 0 DCAARN O=C(NC[C@@H]1COc2ccccc2O1)C(=O)Nc1ccccn1 ZINC000004091295 181072195 /nfs/dbraw/zinc/07/21/95/181072195.db2.gz RMHNYSZKFDGMEA-LLVKDONJSA-N 0 0 313.313 0.976 50 0 DCAARN CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1ccc(C)cc1 ZINC000004107548 181074387 /nfs/dbraw/zinc/07/43/87/181074387.db2.gz IIKVNGGJMDHROY-CYBMUJFWSA-N 0 0 312.391 0.873 50 0 DCAARN Cc1cc(=O)[nH]c2nnc(SCC(=O)Nc3nccs3)n21 ZINC000004249948 181087716 /nfs/dbraw/zinc/08/77/16/181087716.db2.gz JKEGWXXPHZLHSM-UHFFFAOYSA-N 0 0 322.375 0.913 50 0 DCAARN Cc1nnc(SCC(=O)NCCc2ccccc2)n(N)c1=O ZINC000004337970 181099867 /nfs/dbraw/zinc/09/98/67/181099867.db2.gz LFORBZYKAJCHAU-UHFFFAOYSA-N 0 0 319.390 0.112 50 0 DCAARN COC(=O)c1nnn(-c2ccc(OC)c(OC)c2)c1C(=O)OC ZINC000004315801 181096447 /nfs/dbraw/zinc/09/64/47/181096447.db2.gz JMFVHWQXFKGDIQ-UHFFFAOYSA-N 0 0 321.289 0.858 50 0 DCAARN O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1ccc2c(c1)OCO2 ZINC000004392211 181106900 /nfs/dbraw/zinc/10/69/00/181106900.db2.gz BHLLLNBHPYSXHW-NSHDSACASA-N 0 0 311.359 0.856 50 0 DCAARN COc1ccc(NC(=O)/C=c2\sc3n(c2=O)CCCN=3)cc1 ZINC000004704095 181139672 /nfs/dbraw/zinc/13/96/72/181139672.db2.gz LWFSMCWNSBSDAA-XFXZXTDPSA-N 0 0 317.370 0.361 50 0 DCAARN COC(=O)c1ccn(CC(=O)NCc2ccc(OC)cc2)n1 ZINC000004728037 181143900 /nfs/dbraw/zinc/14/39/00/181143900.db2.gz MGCRJBFAQHWXLR-UHFFFAOYSA-N 0 0 303.318 0.995 50 0 DCAARN COc1ccc(-c2noc(CCC(=O)Nc3nn[nH]n3)n2)cc1 ZINC000004785322 181151591 /nfs/dbraw/zinc/15/15/91/181151591.db2.gz BSDOKNXVUUIZNQ-UHFFFAOYSA-N 0 0 315.293 0.830 50 0 DCAARN Cc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000004873540 181167253 /nfs/dbraw/zinc/16/72/53/181167253.db2.gz BQKGGVJSQRGUSI-CQSZACIVSA-N 0 0 315.373 0.824 50 0 DCAARN CCCCNc1c(=O)c(=O)c1N1CCN(C(=O)OCC)CC1 ZINC000004955151 181178968 /nfs/dbraw/zinc/17/89/68/181178968.db2.gz NUOOXNHGOIZVBS-UHFFFAOYSA-N 0 0 309.366 0.773 50 0 DCAARN COc1ccc(CC(=O)NCC2(O)CCOCC2)cc1OC ZINC000075158052 191434729 /nfs/dbraw/zinc/43/47/29/191434729.db2.gz XMUHDMQBCNFUJS-UHFFFAOYSA-N 0 0 309.362 0.904 50 0 DCAARN Cc1n[nH]c(=O)c2cc(S(=O)(=O)NCc3ccco3)cn21 ZINC000075874160 191528040 /nfs/dbraw/zinc/52/80/40/191528040.db2.gz RWWJORQLCISOLM-UHFFFAOYSA-N 0 0 308.319 0.403 50 0 DCAARN COC(=O)Cn1cnc2c(nnn2Cc2ccc(C)cc2)c1=O ZINC000005031854 181193849 /nfs/dbraw/zinc/19/38/49/181193849.db2.gz LWVOJDGQUBDDCU-UHFFFAOYSA-N 0 0 313.317 0.518 50 0 DCAARN NC(=O)[C@@H]1CN(Cn2ccc(-c3ccc(F)cc3)n2)CCO1 ZINC000078404891 191859286 /nfs/dbraw/zinc/85/92/86/191859286.db2.gz RMUUZTWEJMGQBA-AWEZNQCLSA-N 0 0 304.325 0.833 50 0 DCAARN CC(=O)NCCNC(=O)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000005194122 181215791 /nfs/dbraw/zinc/21/57/91/181215791.db2.gz IGCADMXHKXVRAD-LBPRGKRZSA-N 0 0 322.340 0.366 50 0 DCAARN Cc1ccc(N2CCCS2(=O)=O)cc1NS(C)(=O)=O ZINC000005328948 181230133 /nfs/dbraw/zinc/23/01/33/181230133.db2.gz FEDQOHUPPQCSSU-UHFFFAOYSA-N 0 0 304.393 0.906 50 0 DCAARN COC(=O)CCn1c(SCC(N)=O)nc2ccccc2c1=O ZINC000005349392 181233371 /nfs/dbraw/zinc/23/33/71/181233371.db2.gz PIIOJNQUJXNJJH-UHFFFAOYSA-N 0 0 321.358 0.537 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)Sc1n[nH]c(-c2ccncc2)n1 ZINC000005531774 181254709 /nfs/dbraw/zinc/25/47/09/181254709.db2.gz BBSSBWVMQYTWQV-SSDOTTSWSA-N 0 0 306.351 0.803 50 0 DCAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(N)=O ZINC000005704229 181274608 /nfs/dbraw/zinc/27/46/08/181274608.db2.gz QSUAGYZOGSQMPZ-SECBINFHSA-N 0 0 315.420 0.832 50 0 DCAARN O=C1CCC(=O)N1c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000005750038 181280257 /nfs/dbraw/zinc/28/02/57/181280257.db2.gz PFPGRVLTJVHQSO-UHFFFAOYSA-N 0 0 324.358 0.361 50 0 DCAARN CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 ZINC000005442253 283276020 /nfs/dbraw/zinc/27/60/20/283276020.db2.gz KUXIZHOKXDRJGE-UHFFFAOYSA-N 0 0 311.363 0.083 50 0 DCAARN COC[C@H](NC(=O)c1ccc(-n2cccn2)c(F)c1)C(N)=O ZINC000089375161 192775509 /nfs/dbraw/zinc/77/55/09/192775509.db2.gz ZIAXGYUCVWHVDM-NSHDSACASA-N 0 0 306.297 0.242 50 0 DCAARN COCCN1CN(c2ncc(Br)cn2)CC1=O ZINC000241126200 202461318 /nfs/dbraw/zinc/46/13/18/202461318.db2.gz JKGGCKPOBKKMTG-UHFFFAOYSA-N 0 0 301.144 0.492 50 0 DCAARN CN(C)C(=O)CSc1nc2ccccc2c(=O)n1CCCO ZINC000006366301 181334361 /nfs/dbraw/zinc/33/43/61/181334361.db2.gz DCGXKFNFZJDIMH-UHFFFAOYSA-N 0 0 321.402 0.959 50 0 DCAARN CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000006379444 181335899 /nfs/dbraw/zinc/33/58/99/181335899.db2.gz CYNFUEAKVBAIPM-NSHDSACASA-N 0 0 312.391 0.842 50 0 DCAARN NS(=O)(=O)c1ccsc1C(=O)NCC1(O)CCCCC1 ZINC000408523563 239273013 /nfs/dbraw/zinc/27/30/13/239273013.db2.gz SVRVFTPHUWIGJQ-UHFFFAOYSA-N 0 0 318.420 0.821 50 0 DCAARN C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccncc1 ZINC000006525413 181349263 /nfs/dbraw/zinc/34/92/63/181349263.db2.gz WZVHSAYMIIWDAK-YPMHNXCESA-N 0 0 311.407 0.930 50 0 DCAARN Cc1nn(C)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000006700415 181372865 /nfs/dbraw/zinc/37/28/65/181372865.db2.gz BRRXVIYHKJVPLM-UHFFFAOYSA-N 0 0 309.347 0.936 50 0 DCAARN CNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1 ZINC000006702836 181374289 /nfs/dbraw/zinc/37/42/89/181374289.db2.gz KLZPTEMESDPROB-UHFFFAOYSA-N 0 0 312.391 0.386 50 0 DCAARN CCc1nc(C)sc1CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000091417010 193053092 /nfs/dbraw/zinc/05/30/92/193053092.db2.gz MFMMNMMALAWYDG-VIFPVBQESA-N 0 0 310.379 0.618 50 0 DCAARN CNS(=O)(=O)CCNC(=O)c1c[nH]nc1C1CCCCC1 ZINC000091426848 193053793 /nfs/dbraw/zinc/05/37/93/193053793.db2.gz NCCHIVDLGSYATO-UHFFFAOYSA-N 0 0 314.411 0.736 50 0 DCAARN Nc1cc(=O)[nH]c(CCNC(=O)c2c[nH]nc2-c2ccccc2)n1 ZINC000091526232 193069279 /nfs/dbraw/zinc/06/92/79/193069279.db2.gz JCLRPTKEDABVTE-UHFFFAOYSA-N 0 0 324.344 0.715 50 0 DCAARN CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 ZINC000091476317 193061203 /nfs/dbraw/zinc/06/12/03/193061203.db2.gz ONJGFXRLVNTDNN-LSDHHAIUSA-N 0 0 316.405 0.593 50 0 DCAARN O=C([O-])[C@H]1CC2(C[NH2+]1)CCN(C(=O)CCCn1ccnc1)CC2 ZINC000091476398 193061937 /nfs/dbraw/zinc/06/19/37/193061937.db2.gz DLHXLHDPJHVOLH-CYBMUJFWSA-N 0 0 320.393 0.719 50 0 DCAARN CC[C@H](C(=O)NCc1nc(-c2ncccn2)no1)n1cccn1 ZINC000091493127 193064494 /nfs/dbraw/zinc/06/44/94/193064494.db2.gz RJZRJNMQRNHAQC-SNVBAGLBSA-N 0 0 313.321 0.991 50 0 DCAARN Cc1ncc(C(=O)NCc2ccccc2-n2cncn2)c(=O)[nH]1 ZINC000091694089 193092900 /nfs/dbraw/zinc/09/29/00/193092900.db2.gz XDAQITPDEVVSDO-UHFFFAOYSA-N 0 0 310.317 0.589 50 0 DCAARN COCCC[C@@]1(CO)CCCN(c2cncc(C(N)=O)n2)C1 ZINC000091621136 193080467 /nfs/dbraw/zinc/08/04/67/193080467.db2.gz UOKFZVOAXQCJRY-HNNXBMFYSA-N 0 0 308.382 0.581 50 0 DCAARN COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cnc(C)cn1)C2 ZINC000091746498 193101784 /nfs/dbraw/zinc/10/17/84/193101784.db2.gz IBTOVBPYHVBKJK-QWHCGFSZSA-N 0 0 318.377 0.494 50 0 DCAARN COCC[C@@]1(CO)CCCN(C(=O)c2cccc(CO)n2)C1 ZINC000091952324 193130861 /nfs/dbraw/zinc/13/08/61/193130861.db2.gz CGLMUDUVTVOYEP-INIZCTEOSA-N 0 0 308.378 0.825 50 0 DCAARN COC[C@@H](c1ccccn1)N(C)C(=O)c1cnc(C)[nH]c1=O ZINC000092001876 193139471 /nfs/dbraw/zinc/13/94/71/193139471.db2.gz ISEHLPVEYXMAJQ-ZDUSSCGKSA-N 0 0 302.334 0.933 50 0 DCAARN CCc1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)on1 ZINC000216084367 201480885 /nfs/dbraw/zinc/48/08/85/201480885.db2.gz YIEFCDVAGTVFQJ-UHFFFAOYSA-N 0 0 301.368 0.345 50 0 DCAARN CCN(CC)S(=O)(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1 ZINC000220297270 201573720 /nfs/dbraw/zinc/57/37/20/201573720.db2.gz BWKFTPSSOQOHSZ-GDKBPFBDSA-N 0 0 316.427 0.408 50 0 DCAARN Cc1cc(C)n(CC(=O)NCCCc2csc(N)n2)c(=O)n1 ZINC000220639407 201577830 /nfs/dbraw/zinc/57/78/30/201577830.db2.gz HJCUMGZEBSQYIX-UHFFFAOYSA-N 0 0 321.406 0.648 50 0 DCAARN Cn1nnnc1SCCNC(=O)COC[C@@H]1CCCCO1 ZINC000252490785 202848355 /nfs/dbraw/zinc/84/83/55/202848355.db2.gz LAZPFSISQULTFS-JTQLQIEISA-N 0 0 315.399 0.004 50 0 DCAARN Cc1cc(C(=O)N[C@H]2C[C@H](c3nnc(CN(C)C)n3C)C2)on1 ZINC000252537221 202865859 /nfs/dbraw/zinc/86/58/59/202865859.db2.gz KTGMMTWNAFEZAZ-XYPYZODXSA-N 0 0 318.381 0.849 50 0 DCAARN O=C(CCCn1ccnn1)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000094075317 193344229 /nfs/dbraw/zinc/34/42/29/193344229.db2.gz WCYDEXCGLRTJIF-GFCCVEGCSA-N 0 0 323.422 0.582 50 0 DCAARN COCCCNC(=O)Cn1nc(-n2nc(C)cc2C)ccc1=O ZINC000094993089 193411625 /nfs/dbraw/zinc/41/16/25/193411625.db2.gz HYDKPMJYPWECDJ-UHFFFAOYSA-N 0 0 319.365 0.199 50 0 DCAARN COCC(=O)N1CCC[C@H](C(=O)N(C)CCc2noc(C)n2)C1 ZINC000095379149 193438889 /nfs/dbraw/zinc/43/88/89/193438889.db2.gz LGKDAGIFTIMYTH-LBPRGKRZSA-N 0 0 324.381 0.264 50 0 DCAARN C[C@@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)CC(C)(C)O1 ZINC000095955659 193457402 /nfs/dbraw/zinc/45/74/02/193457402.db2.gz NUCDQWNUHPVPNU-SNVBAGLBSA-N 0 0 318.381 0.815 50 0 DCAARN COCc1nn(CCn2cc(Br)cn2)c(=O)o1 ZINC000095990888 193482153 /nfs/dbraw/zinc/48/21/53/193482153.db2.gz WFINHROMIKJMSA-UHFFFAOYSA-N 0 0 303.116 0.642 50 0 DCAARN CCS(=O)(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 ZINC000096470427 193660104 /nfs/dbraw/zinc/66/01/04/193660104.db2.gz WYXJSGJXAGVNOJ-HUUCEWRRSA-N 0 0 310.419 0.921 50 0 DCAARN CCOC(=O)C1CCN(C(=O)COC(=O)c2cccn2C)CC1 ZINC000008040035 181522104 /nfs/dbraw/zinc/52/21/04/181522104.db2.gz JDHLPYMFYCVWOO-UHFFFAOYSA-N 0 0 322.361 0.984 50 0 DCAARN CCNC(=O)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000008324942 181548087 /nfs/dbraw/zinc/54/80/87/181548087.db2.gz CVNVZGUCXXXXSX-LLVKDONJSA-N 0 0 307.375 0.736 50 0 DCAARN CCc1cc2c(ncn(CC(=O)N3CCNC3=O)c2=O)s1 ZINC000009752003 181639866 /nfs/dbraw/zinc/63/98/66/181639866.db2.gz IZYGAYRTUGNFQJ-UHFFFAOYSA-N 0 0 306.347 0.572 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cn2cccn2)cc1 ZINC000010230772 181661725 /nfs/dbraw/zinc/66/17/25/181661725.db2.gz QIIKOLFGIOEMKS-AWEZNQCLSA-N 0 0 319.386 0.848 50 0 DCAARN COC(=O)CCC(=O)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000011843210 181710152 /nfs/dbraw/zinc/71/01/52/181710152.db2.gz ZDNBGUFDHLRBCH-ZDUSSCGKSA-N 0 0 322.336 0.996 50 0 DCAARN CCNC(=O)CN(C)S(=O)(=O)c1cc(F)ccc1OC ZINC000012844094 181802666 /nfs/dbraw/zinc/80/26/66/181802666.db2.gz GHARDVHDKHTETC-UHFFFAOYSA-N 0 0 304.343 0.591 50 0 DCAARN CC(C)c1nnc2n1C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)CC2 ZINC000097198688 193685919 /nfs/dbraw/zinc/68/59/19/193685919.db2.gz PFANSJOQSFMOCY-JTQLQIEISA-N 0 0 318.381 0.441 50 0 DCAARN O=C(NCCNc1cccnc1)[C@@H]1Cc2ccccc2C(=O)N1 ZINC000097217348 193693250 /nfs/dbraw/zinc/69/32/50/193693250.db2.gz LCHDSYPEPSASBX-HNNXBMFYSA-N 0 0 310.357 0.964 50 0 DCAARN C[C@@H]1CN(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CCO1 ZINC000014139788 181928980 /nfs/dbraw/zinc/92/89/80/181928980.db2.gz MRRBEJMYWLCBEA-GFCCVEGCSA-N 0 0 317.345 0.656 50 0 DCAARN CN(CC(=O)NC(C)(C)C)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000014184715 181934071 /nfs/dbraw/zinc/93/40/71/181934071.db2.gz ZSARRHHMKUVZEG-TXEJJXNPSA-N 0 0 307.394 0.742 50 0 DCAARN O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)N1CCOCC1 ZINC000015943179 182025924 /nfs/dbraw/zinc/02/59/24/182025924.db2.gz IQLCHPPMDOMZDQ-UHFFFAOYSA-N 0 0 312.329 0.737 50 0 DCAARN Cc1nn(C(=O)C2CC2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000016975905 182067192 /nfs/dbraw/zinc/06/71/92/182067192.db2.gz BFBJFNIWLMNWDY-UHFFFAOYSA-N 0 0 313.379 0.571 50 0 DCAARN O=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccc(-n2ccnc2)cc1 ZINC000097463615 193722556 /nfs/dbraw/zinc/72/25/56/193722556.db2.gz WXZRIBWAXQJKBP-GFCCVEGCSA-N 0 0 303.343 0.913 50 0 DCAARN O=CN1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000019782451 182148535 /nfs/dbraw/zinc/14/85/35/182148535.db2.gz WMVUAJDVQZANHV-ZDUSSCGKSA-N 0 0 305.309 0.232 50 0 DCAARN CCCOCCn1cnc2c1c(=O)[nH]c(N(CC)CC)nc2=O ZINC000019812021 182152810 /nfs/dbraw/zinc/15/28/10/182152810.db2.gz KSVDISPGLSVVJS-UHFFFAOYSA-N 0 0 321.381 0.753 50 0 DCAARN O=C(NCCCN1CCOCC1)NC(=O)c1ccc(F)cc1 ZINC000019911629 182163865 /nfs/dbraw/zinc/16/38/65/182163865.db2.gz AVSNNOMITMGBAS-UHFFFAOYSA-N 0 0 309.341 0.987 50 0 DCAARN CCS(=O)(=O)NCCNc1ccc(-n2nc(C)cc2C)nn1 ZINC000019924138 182164994 /nfs/dbraw/zinc/16/49/94/182164994.db2.gz TUGVJHWHOBDUFT-UHFFFAOYSA-N 0 0 324.410 0.630 50 0 DCAARN O=C(NCCN1CCOCC1)c1ccc(-n2cnnc2)cc1 ZINC000020069345 182184238 /nfs/dbraw/zinc/18/42/38/182184238.db2.gz SGNICILSEMXQIQ-UHFFFAOYSA-N 0 0 301.350 0.329 50 0 DCAARN O=C(CCCc1cn[nH]c1)NCCNC(=O)c1cccnc1 ZINC000097679810 193746711 /nfs/dbraw/zinc/74/67/11/193746711.db2.gz FGOBDDCIPRVTHY-UHFFFAOYSA-N 0 0 301.350 0.674 50 0 DCAARN O=C(NCCN1CCOCC1)[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000020328087 182208371 /nfs/dbraw/zinc/20/83/71/182208371.db2.gz HFPARIUYRCHIFD-HNNXBMFYSA-N 0 0 321.352 0.767 50 0 DCAARN CC1CCN(C(=O)CCNc2c(=O)c(=O)c2N2CCCC2)CC1 ZINC000020484083 182223243 /nfs/dbraw/zinc/22/32/43/182223243.db2.gz KAQNPHMPZTVYPQ-UHFFFAOYSA-N 0 0 319.405 0.943 50 0 DCAARN O=C(CN1CCN(Cc2ccc(F)cc2)CC1)N1CCOCC1 ZINC000020445125 182217810 /nfs/dbraw/zinc/21/78/10/182217810.db2.gz GHSXIUGVSQLKGY-UHFFFAOYSA-N 0 0 321.396 0.802 50 0 DCAARN COC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 ZINC000020491614 182223846 /nfs/dbraw/zinc/22/38/46/182223846.db2.gz MQHDIGIFFQPADF-UHFFFAOYSA-N 0 0 312.391 0.550 50 0 DCAARN Cn1c(=O)cc(C(=O)N2CCC[C@@H]2c2ccco2)n(C)c1=O ZINC000097730134 193751076 /nfs/dbraw/zinc/75/10/76/193751076.db2.gz UBTYRRNWMLXZKC-SNVBAGLBSA-N 0 0 303.318 0.654 50 0 DCAARN COC(=O)CCNC(=O)c1cc(-n2cnnn2)ccc1Cl ZINC000020721383 182243845 /nfs/dbraw/zinc/24/38/45/182243845.db2.gz FIJRSBLLJMGVEN-UHFFFAOYSA-N 0 0 309.713 0.609 50 0 DCAARN COc1ccc(C)c2c1N(CCN1CCOCC1)C(=O)C2=O ZINC000020589761 182235588 /nfs/dbraw/zinc/23/55/88/182235588.db2.gz PKGZPVCGLSCOEL-UHFFFAOYSA-N 0 0 304.346 0.865 50 0 DCAARN COc1ccc(OCCOC[C@H](O)CN2CCOCC2)cc1 ZINC000020789791 182247470 /nfs/dbraw/zinc/24/74/70/182247470.db2.gz GORSRZQECPDYEL-CQSZACIVSA-N 0 0 311.378 0.784 50 0 DCAARN C[C@@H](NC(=O)CN1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000020940000 182256288 /nfs/dbraw/zinc/25/62/88/182256288.db2.gz ZYWHALVOOCKZKW-GFCCVEGCSA-N 0 0 306.362 0.967 50 0 DCAARN COC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000021146492 182266778 /nfs/dbraw/zinc/26/67/78/182266778.db2.gz LYBWYIVGXFCSMM-NSHDSACASA-N 0 0 315.395 0.611 50 0 DCAARN CCOCCCNC(=O)c1nn(-c2ccccc2)nc1CO ZINC000021172490 182268511 /nfs/dbraw/zinc/26/85/11/182268511.db2.gz ZHJWWRKACQTYEE-UHFFFAOYSA-N 0 0 304.350 0.916 50 0 DCAARN O=C(CN1CCCCCC1=O)N1CCN(c2ncccn2)CC1 ZINC000021333721 182271977 /nfs/dbraw/zinc/27/19/77/182271977.db2.gz PSRGAECIZBMKPJ-UHFFFAOYSA-N 0 0 317.393 0.528 50 0 DCAARN Cc1ccc(CNC(=O)Cn2cnc3c(cnn3C)c2=O)n1C ZINC000021328039 182272325 /nfs/dbraw/zinc/27/23/25/182272325.db2.gz NPRNGSWZNSKQAQ-UHFFFAOYSA-N 0 0 314.349 0.093 50 0 DCAARN CCOCCOC(=O)CNC1=NS(=O)(=O)c2ccccc21 ZINC000021838959 182294982 /nfs/dbraw/zinc/29/49/82/182294982.db2.gz ROZKYDZCVSPMBC-UHFFFAOYSA-N 0 0 312.347 0.305 50 0 DCAARN CCCNC(=O)NC(=O)CSc1nncn1CCOC ZINC000022104697 182309505 /nfs/dbraw/zinc/30/95/05/182309505.db2.gz GFEGFOYUMWDUNF-UHFFFAOYSA-N 0 0 301.372 0.252 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)NCc1ncc(-c2ccccc2)o1 ZINC000097907394 193766511 /nfs/dbraw/zinc/76/65/11/193766511.db2.gz HGYYZTNEJUNFDA-JTQLQIEISA-N 0 0 314.301 0.556 50 0 DCAARN CC(=O)NCCNC(=O)c1sc2ncn(C)c(=O)c2c1C ZINC000022758517 182333333 /nfs/dbraw/zinc/33/33/33/182333333.db2.gz LRERNZSFTOFATR-UHFFFAOYSA-N 0 0 308.363 0.169 50 0 DCAARN Cc1cc(NC(=O)C2CC2)sc1C(=O)N1CCNC(=O)C1 ZINC000022884668 182339406 /nfs/dbraw/zinc/33/94/06/182339406.db2.gz SSBDASCTZULHIQ-UHFFFAOYSA-N 0 0 307.375 0.977 50 0 DCAARN NC(=O)c1cccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)c1 ZINC000023191222 182352945 /nfs/dbraw/zinc/35/29/45/182352945.db2.gz ZEYBOXSLTJPYCE-UHFFFAOYSA-N 0 0 322.328 0.942 50 0 DCAARN O=C(c1cnccn1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000023315380 182356649 /nfs/dbraw/zinc/35/66/49/182356649.db2.gz AQIJUTUZVZCORB-LBPRGKRZSA-N 0 0 304.350 0.188 50 0 DCAARN Cn1cc(C=CC(=O)N2CCC[C@H](c3cc(=O)[nH]cn3)C2)cn1 ZINC000023310730 182356767 /nfs/dbraw/zinc/35/67/67/182356767.db2.gz LQSJHCNLCKOCRK-IHVVCDCBSA-N 0 0 313.361 0.923 50 0 DCAARN CC(C)(CNC(=O)CNC(=O)c1ccccc1)N1CCOCC1 ZINC000023424606 182360719 /nfs/dbraw/zinc/36/07/19/182360719.db2.gz FWTHYMQCDIOJHR-UHFFFAOYSA-N 0 0 319.405 0.643 50 0 DCAARN CS(=O)(=O)Nc1ccc(NC(=O)CCn2cncn2)cc1 ZINC000023487438 182362280 /nfs/dbraw/zinc/36/22/80/182362280.db2.gz FGJFALCRTJEGOM-UHFFFAOYSA-N 0 0 309.351 0.678 50 0 DCAARN CC(=CC(=O)NCCN1C(=O)CNC1=O)c1ccc(F)cc1 ZINC000098010020 193774210 /nfs/dbraw/zinc/77/42/10/193774210.db2.gz IBJSGTAJBUNZFX-CSKARUKUSA-N 0 0 305.309 0.897 50 0 DCAARN CCOC(=O)Cc1csc(NC(=O)CCn2cncn2)n1 ZINC000024029619 182372938 /nfs/dbraw/zinc/37/29/38/182372938.db2.gz NYLSJQFLEWXALB-UHFFFAOYSA-N 0 0 309.351 0.869 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)c1cnc2n(c1=O)CCS2 ZINC000024477606 182381514 /nfs/dbraw/zinc/38/15/14/182381514.db2.gz KCMLXHLCLMUNAS-UHFFFAOYSA-N 0 0 305.363 0.355 50 0 DCAARN COC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024546465 182383423 /nfs/dbraw/zinc/38/34/23/182383423.db2.gz IWEJHZMYLMYLHD-WDEREUQCSA-N 0 0 320.345 0.919 50 0 DCAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nc3nccc(C)n3n2)C1 ZINC000024602283 182385148 /nfs/dbraw/zinc/38/51/48/182385148.db2.gz IXAFYGOHPYDADG-NSHDSACASA-N 0 0 317.349 0.848 50 0 DCAARN Cc1cc(C(=O)NCc2ccnn2C)c2c(=O)[nH]n(C)c2n1 ZINC000024650497 182386038 /nfs/dbraw/zinc/38/60/38/182386038.db2.gz HEVWMEYBRJLNEE-UHFFFAOYSA-N 0 0 300.322 0.234 50 0 DCAARN O=C(NCCNC(=O)N1CCC[C@@H](CO)C1)c1ccc(F)cc1 ZINC000098033069 193775974 /nfs/dbraw/zinc/77/59/74/193775974.db2.gz FGBVVAKIWSIYOI-GFCCVEGCSA-N 0 0 323.368 0.969 50 0 DCAARN COC(=O)C[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccccc1 ZINC000024895291 182394616 /nfs/dbraw/zinc/39/46/16/182394616.db2.gz WRGRDYJREHTEMQ-ZDUSSCGKSA-N 0 0 315.329 0.815 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN(CCC(N)=O)CC2)s1 ZINC000024949881 182396469 /nfs/dbraw/zinc/39/64/69/182396469.db2.gz KNTPDBXXEIXEMZ-UHFFFAOYSA-N 0 0 317.436 0.238 50 0 DCAARN COc1ccccc1C(=O)N[C@@H](C(=O)NCCCO)C(C)C ZINC000098077013 193782483 /nfs/dbraw/zinc/78/24/83/193782483.db2.gz UJSLXNAQMBXPSO-CQSZACIVSA-N 0 0 308.378 0.948 50 0 DCAARN C[C@H]1CN(S(=O)(=O)CCNC(=O)c2ccco2)C[C@H](C)O1 ZINC000029188896 182555746 /nfs/dbraw/zinc/55/57/46/182555746.db2.gz AJYLMTQRJPDGDM-QWRGUYRKSA-N 0 0 316.379 0.448 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)NCCCOC1CCCCC1 ZINC000031498120 182615265 /nfs/dbraw/zinc/61/52/65/182615265.db2.gz GDAKZFHEKXANFQ-UHFFFAOYSA-N 0 0 309.366 0.392 50 0 DCAARN CNC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N1CCOCC1 ZINC000032804033 182665591 /nfs/dbraw/zinc/66/55/91/182665591.db2.gz KVMMOTOOVQISNM-HNNXBMFYSA-N 0 0 317.389 0.018 50 0 DCAARN NC(=O)NC[C@@H]1CCCN(CC(=O)NCc2ccccc2F)C1 ZINC000032935669 182683654 /nfs/dbraw/zinc/68/36/54/182683654.db2.gz SRZJJDKEPCGFAC-LBPRGKRZSA-N 0 0 322.384 0.822 50 0 DCAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)OC)C2=O)cc1 ZINC000036037324 182793237 /nfs/dbraw/zinc/79/32/37/182793237.db2.gz IQZIORONRIWCHW-OAHLLOKOSA-N 0 0 321.333 0.482 50 0 DCAARN CCOC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCOCC1 ZINC000036096862 182799537 /nfs/dbraw/zinc/79/95/37/182799537.db2.gz PVFGGWOACNZHNW-ZDUSSCGKSA-N 0 0 307.350 0.134 50 0 DCAARN C[C@@H](O)CN1CC2=C(C1=O)[C@H](c1ccc(O)cc1)NC(=O)N2C ZINC000036678968 182834688 /nfs/dbraw/zinc/83/46/88/182834688.db2.gz YFSXWBCDCBYPRM-OTYXRUKQSA-N 0 0 317.345 0.565 50 0 DCAARN Cn1c(=O)n(CCNC(=O)c2ccco2)nc1-c1ccccn1 ZINC000038533243 183001550 /nfs/dbraw/zinc/00/15/50/183001550.db2.gz WEIZJKPMZZHNEM-UHFFFAOYSA-N 0 0 313.317 0.667 50 0 DCAARN CCCn1nc(C(=O)NCc2c(C)cc(C)[nH]c2=O)ccc1=O ZINC000039995626 183027638 /nfs/dbraw/zinc/02/76/38/183027638.db2.gz MOVOXAUXHDAIKP-UHFFFAOYSA-N 0 0 316.361 0.888 50 0 DCAARN Cc1cc(NC(=O)Cc2noc(C(=O)NC(C)(C)CO)n2)no1 ZINC000040286915 183051068 /nfs/dbraw/zinc/05/10/68/183051068.db2.gz NBOAVWNBGBJFCX-UHFFFAOYSA-N 0 0 323.309 0.048 50 0 DCAARN CCOc1ccccc1NCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000040461252 183070775 /nfs/dbraw/zinc/07/07/75/183070775.db2.gz ZAIKTPUTIWGUSP-NSHDSACASA-N 0 0 312.391 0.801 50 0 DCAARN C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CCO1 ZINC000040512841 183088088 /nfs/dbraw/zinc/08/80/88/183088088.db2.gz CFUBCUXJMPSMJJ-OLZOCXBDSA-N 0 0 303.362 0.677 50 0 DCAARN Cn1nc(C(=O)N[C@H]2CCCCNC2=O)c2ccccc2c1=O ZINC000040521766 183090990 /nfs/dbraw/zinc/09/09/90/183090990.db2.gz VGRXGWHMPFCNCL-LBPRGKRZSA-N 0 0 314.345 0.332 50 0 DCAARN Cc1cc(C(=O)NCCCN(C(C)C)S(C)(=O)=O)on1 ZINC000040535313 183094679 /nfs/dbraw/zinc/09/46/79/183094679.db2.gz JNHQIQXYFXVSQS-UHFFFAOYSA-N 0 0 303.384 0.773 50 0 DCAARN Cc1cc(C)n(C[C@H](C)CNC(=O)C2=NN(C)C(=O)CC2)n1 ZINC000040541183 183097928 /nfs/dbraw/zinc/09/79/28/183097928.db2.gz USKAVMVGXMYREA-SNVBAGLBSA-N 0 0 305.382 0.860 50 0 DCAARN O=C(CCS(=O)(=O)C1CCCC1)N[C@@H]1CCCCNC1=O ZINC000040540814 183098096 /nfs/dbraw/zinc/09/80/96/183098096.db2.gz XBESBFMVICCNDF-GFCCVEGCSA-N 0 0 316.423 0.519 50 0 DCAARN COC[C@@H](C)N(C)C(=O)Cn1c2ccccc2c(=O)[nH]c1=O ZINC000040555187 183101703 /nfs/dbraw/zinc/10/17/03/183101703.db2.gz MYDFVZOGYIAIFV-SNVBAGLBSA-N 0 0 305.334 0.183 50 0 DCAARN CCN1CCN(C(=O)c2nn(C)c3ccccc3c2=O)CC1 ZINC000040790066 183133608 /nfs/dbraw/zinc/13/36/08/183133608.db2.gz MNEYQPACJPXLBL-UHFFFAOYSA-N 0 0 300.362 0.711 50 0 DCAARN CCn1nc(C)c2c1cnn2CC(=O)NCCN1CCOCC1 ZINC000041123908 183169112 /nfs/dbraw/zinc/16/91/12/183169112.db2.gz OIGFWICQCHRRPQ-UHFFFAOYSA-N 0 0 320.397 0.010 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 ZINC000041126622 183169163 /nfs/dbraw/zinc/16/91/63/183169163.db2.gz SZJBUQINAAQNGL-FXMSTWTQSA-N 0 0 302.330 0.805 50 0 DCAARN COc1ccc2c(ccn2CC(=O)N2CC[C@H](C(N)=O)C2)c1 ZINC000041129265 183170469 /nfs/dbraw/zinc/17/04/69/183170469.db2.gz MLSSYCBIBUYPMC-LBPRGKRZSA-N 0 0 301.346 0.984 50 0 DCAARN CC(=O)N1CCC[C@H](C(=O)NCc2nnc3n2CCCC3)C1 ZINC000041140469 183172212 /nfs/dbraw/zinc/17/22/12/183172212.db2.gz HSVMVZVEKMOQPV-LBPRGKRZSA-N 0 0 305.382 0.489 50 0 DCAARN NC(=O)CCN1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000041544512 183201430 /nfs/dbraw/zinc/20/14/30/183201430.db2.gz BUVNMLCFJMLDQY-UHFFFAOYSA-N 0 0 309.797 0.902 50 0 DCAARN C[C@@H]1CN(CCNS(=O)(=O)N2CCCCCC2)C[C@H](C)O1 ZINC000041892516 183223805 /nfs/dbraw/zinc/22/38/05/183223805.db2.gz JERHQYPGHPSRQN-OKILXGFUSA-N 0 0 319.471 0.806 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN([C@H](C(N)=O)c2ccccc2)C1 ZINC000041622423 183211344 /nfs/dbraw/zinc/21/13/44/183211344.db2.gz ILDKEEVBDRSINW-STQMWFEESA-N 0 0 311.407 0.227 50 0 DCAARN CNS(=O)(=O)c1ccc(C)c(C(=O)NCCn2ccnc2)c1 ZINC000042720909 183301506 /nfs/dbraw/zinc/30/15/06/183301506.db2.gz JLXJATHRSPGUMI-UHFFFAOYSA-N 0 0 322.390 0.530 50 0 DCAARN Cc1cccc(CCC(=O)NC2CCN(CC(N)=O)CC2)c1 ZINC000043122284 183338986 /nfs/dbraw/zinc/33/89/86/183338986.db2.gz MAJSHJNNNSYNPQ-UHFFFAOYSA-N 0 0 303.406 0.994 50 0 DCAARN COCCn1nc(C(=O)NCc2ccc(O)cc2)ccc1=O ZINC000043485114 183366736 /nfs/dbraw/zinc/36/67/36/183366736.db2.gz MUNAYOVHTSHOLS-UHFFFAOYSA-N 0 0 303.318 0.525 50 0 DCAARN CC(=O)N1CCN(C(=O)c2cnn(-c3ccccn3)c2C)CC1 ZINC000044911692 183455008 /nfs/dbraw/zinc/45/50/08/183455008.db2.gz DXDKXIZBCBQBIM-UHFFFAOYSA-N 0 0 313.361 0.880 50 0 DCAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cn1 ZINC000044954902 183466606 /nfs/dbraw/zinc/46/66/06/183466606.db2.gz HCOHGVLIGIORKD-CYBMUJFWSA-N 0 0 311.407 0.678 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)OC[C@@H]2C)n(C)c1 ZINC000045449075 183509343 /nfs/dbraw/zinc/50/93/43/183509343.db2.gz IFOVNAKLQOYTNM-VHSXEESVSA-N 0 0 315.395 0.183 50 0 DCAARN O=C(Cn1nnc(-c2ccccc2)n1)N[C@@H]1CCCCNC1=O ZINC000045912197 183536105 /nfs/dbraw/zinc/53/61/05/183536105.db2.gz MVJJTHSTLUFLKX-GFCCVEGCSA-N 0 0 314.349 0.125 50 0 DCAARN COc1ccc(OC)c([C@H](C)NC(=O)CN(C)CC(N)=O)c1 ZINC000047628742 183598743 /nfs/dbraw/zinc/59/87/43/183598743.db2.gz XXTVPDCCGDUCNQ-JTQLQIEISA-N 0 0 309.366 0.298 50 0 DCAARN C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)S(=O)(=O)c1nncn1C ZINC000047633153 183599451 /nfs/dbraw/zinc/59/94/51/183599451.db2.gz KRDAWJXQCFOKID-GMTAPVOTSA-N 0 0 314.411 0.482 50 0 DCAARN C[C@H](CNC(=O)Cn1ccccc1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000106056171 194182819 /nfs/dbraw/zinc/18/28/19/194182819.db2.gz BGYWMPQCKDNNIW-MCIONIFRSA-N 0 0 307.394 0.462 50 0 DCAARN COc1ccc(S(=O)(=O)NC[C@H]2CCOC2)cc1C(N)=O ZINC000048354150 183649729 /nfs/dbraw/zinc/64/97/29/183649729.db2.gz MJWOCERGTZRCIY-SECBINFHSA-N 0 0 314.363 0.109 50 0 DCAARN NC(=O)[C@@H](c1ccc(F)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000106665416 194241933 /nfs/dbraw/zinc/24/19/33/194241933.db2.gz QZKUPCCPCJJQFE-LSDHHAIUSA-N 0 0 318.352 0.950 50 0 DCAARN C[C@@H]1CCCCN1S(=O)(=O)N(CC(N)=O)C1CCCC1 ZINC000047281681 296314787 /nfs/dbraw/zinc/31/47/87/296314787.db2.gz QXKFPYKKCGUPSB-LLVKDONJSA-N 0 0 303.428 0.836 50 0 DCAARN CN(C)c1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)cn1 ZINC000055786551 183996976 /nfs/dbraw/zinc/99/69/76/183996976.db2.gz LZJXXYFTHLCMKD-UHFFFAOYSA-N 0 0 317.393 0.777 50 0 DCAARN NS(=O)(=O)c1ccc(NC(=O)COc2ncccn2)cc1 ZINC000056906900 184021137 /nfs/dbraw/zinc/02/11/37/184021137.db2.gz QBZRJPJDTGSCIJ-UHFFFAOYSA-N 0 0 308.319 0.142 50 0 DCAARN C[C@@H](C(=O)NCCc1cccs1)N1CCN(CCO)CC1 ZINC000058013780 184067468 /nfs/dbraw/zinc/06/74/68/184067468.db2.gz WFEMYCMYMDLOCW-ZDUSSCGKSA-N 0 0 311.451 0.405 50 0 DCAARN O=C(NCCCn1nc2ccccn2c1=O)NC[C@H]1CCCO1 ZINC000058169143 184083785 /nfs/dbraw/zinc/08/37/85/184083785.db2.gz WDZIVVYEMVFXSB-GFCCVEGCSA-N 0 0 319.365 0.364 50 0 DCAARN NC(=O)CN1CCC(NC(=O)c2ccc(NC3CC3)nc2)CC1 ZINC000058357251 184108486 /nfs/dbraw/zinc/10/84/86/184108486.db2.gz RPJDATOENCCESF-UHFFFAOYSA-N 0 0 317.393 0.335 50 0 DCAARN C[C@H]1CCCCN1S(=O)(=O)NCCCN1CCOCC1 ZINC000058365900 184109566 /nfs/dbraw/zinc/10/95/66/184109566.db2.gz ZOYSSRDVERWGNF-ZDUSSCGKSA-N 0 0 305.444 0.418 50 0 DCAARN Cc1nn(C)c(C)c1/C=C/C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000058405161 184113650 /nfs/dbraw/zinc/11/36/50/184113650.db2.gz NDNVKNXRHLYEJD-BTDICHCPSA-N 0 0 311.407 0.696 50 0 DCAARN NC(=O)CC1CCN(Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000058406657 184114188 /nfs/dbraw/zinc/11/41/88/184114188.db2.gz VATSCFRBPTXRIK-UHFFFAOYSA-N 0 0 307.398 0.316 50 0 DCAARN O=C(Cc1ccccc1O)N1CCC2(CC1)NC(=O)NC2=O ZINC000058430399 184116943 /nfs/dbraw/zinc/11/69/43/184116943.db2.gz HIPDLOWAXDYUIH-UHFFFAOYSA-N 0 0 303.318 0.135 50 0 DCAARN Cn1cc(CNC(=O)NCC(=O)NCCc2ccccc2)cn1 ZINC000058572519 184122837 /nfs/dbraw/zinc/12/28/37/184122837.db2.gz WZHIDLAZAZLCKV-UHFFFAOYSA-N 0 0 315.377 0.578 50 0 DCAARN NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn2cccnc2n1 ZINC000061624900 184179263 /nfs/dbraw/zinc/17/92/63/184179263.db2.gz KYORGMICFRBNBQ-LBPRGKRZSA-N 0 0 309.329 0.556 50 0 DCAARN NC(=O)CSc1nnc2c(=O)n(-c3ccccc3)ccn12 ZINC000064593439 184301213 /nfs/dbraw/zinc/30/12/13/184301213.db2.gz GDKNEOWIJGVJRV-UHFFFAOYSA-N 0 0 301.331 0.458 50 0 DCAARN CN(C)[C@H](C(=O)NCCN1CCNC1=O)c1cccc(F)c1 ZINC000065385089 184333159 /nfs/dbraw/zinc/33/31/59/184333159.db2.gz LIPHANZTXPYSDF-ZDUSSCGKSA-N 0 0 308.357 0.570 50 0 DCAARN CC[C@H](C(=O)NC)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000065363721 184328773 /nfs/dbraw/zinc/32/87/73/184328773.db2.gz RVJFZKFXPIHELJ-GFCCVEGCSA-N 0 0 300.380 0.986 50 0 DCAARN COc1cccc([C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@H]2O)c1 ZINC000065376095 184331232 /nfs/dbraw/zinc/33/12/32/184331232.db2.gz SLMRVQBTAXUZJZ-QWHCGFSZSA-N 0 0 302.334 0.804 50 0 DCAARN CCn1nc(C)c(NC(=O)CNCc2cc(=O)[nH]cn2)c1C ZINC000065409425 184339803 /nfs/dbraw/zinc/33/98/03/184339803.db2.gz XIXIWAYMKSSWIF-UHFFFAOYSA-N 0 0 304.354 0.744 50 0 DCAARN Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC(=O)N2)N2CCOCC2)o1 ZINC000065436889 184344671 /nfs/dbraw/zinc/34/46/71/184344671.db2.gz ZFZXTTDMBUHCKG-QWHCGFSZSA-N 0 0 321.377 0.356 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](NC(=O)Cc2nc(C)sc2C)CN1C ZINC000065434551 184345065 /nfs/dbraw/zinc/34/50/65/184345065.db2.gz KJDNBGQEXBTWNH-PWSUYJOCSA-N 0 0 311.407 0.664 50 0 DCAARN C[C@H](NC(=O)N1CCC(NS(C)(=O)=O)CC1)[C@@H]1CCCO1 ZINC000065447670 184345863 /nfs/dbraw/zinc/34/58/63/184345863.db2.gz YWANXNLQRGNZSN-JQWIXIFHSA-N 0 0 319.427 0.277 50 0 DCAARN CNc1ncc(CN(C)c2nccc(N3CC[C@H](O)C3)n2)cn1 ZINC000065462731 184348798 /nfs/dbraw/zinc/34/87/98/184348798.db2.gz VFJXWJNEIQIGQC-LBPRGKRZSA-N 0 0 315.381 0.516 50 0 DCAARN CC[C@@H](CO)NC(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000065479753 184352545 /nfs/dbraw/zinc/35/25/45/184352545.db2.gz UTRHQEJUKTVPMY-JSGCOSHPSA-N 0 0 317.455 0.264 50 0 DCAARN C[C@H]1c2nc(N)nc(-c3ccncc3)c2CN1C(=O)c1nc[nH]n1 ZINC000065396651 184335254 /nfs/dbraw/zinc/33/52/54/184335254.db2.gz XASJEZHSBUWAIY-QMMMGPOBSA-N 0 0 322.332 0.956 50 0 DCAARN Cc1cccc(CNC(=O)N2CCN3CCN(C)C(=O)[C@@H]3C2)c1 ZINC000065406859 184338722 /nfs/dbraw/zinc/33/87/22/184338722.db2.gz BEMLOEGJKYCRKR-HNNXBMFYSA-N 0 0 316.405 0.663 50 0 DCAARN Cc1nc(CCNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cc(=O)[nH]1 ZINC000065530611 184361431 /nfs/dbraw/zinc/36/14/31/184361431.db2.gz NDLULEDPWZXUNI-GFCCVEGCSA-N 0 0 320.393 0.242 50 0 DCAARN Cc1cccc(OCCN(C)C(=O)CC[C@H]2NC(=O)NC2=O)c1 ZINC000065550897 184364590 /nfs/dbraw/zinc/36/45/90/184364590.db2.gz AYTCSETUBAWCTC-CYBMUJFWSA-N 0 0 319.361 0.820 50 0 DCAARN CC(=O)N[C@@H]1CCCN(C(=O)NCCNc2ccccn2)C1 ZINC000065565498 184367130 /nfs/dbraw/zinc/36/71/30/184367130.db2.gz BMEYRKXSQNWYNV-CYBMUJFWSA-N 0 0 305.382 0.804 50 0 DCAARN Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)N2CCOCC2)n1 ZINC000065605268 184371655 /nfs/dbraw/zinc/37/16/55/184371655.db2.gz KLSRRDNCLMVVLQ-CYBMUJFWSA-N 0 0 320.393 0.508 50 0 DCAARN O=C(NCc1ccnc(N2CCCC2)c1)C1=NNC(=O)CC1 ZINC000065608278 184371943 /nfs/dbraw/zinc/37/19/43/184371943.db2.gz FMAVQIFMRBVERH-UHFFFAOYSA-N 0 0 301.350 0.564 50 0 DCAARN CCCc1cc(C(=O)N2CCn3c(C(N)=O)cnc3C2)no1 ZINC000065502889 184355864 /nfs/dbraw/zinc/35/58/64/184355864.db2.gz UIMHHEWBSQHYBX-UHFFFAOYSA-N 0 0 303.322 0.579 50 0 DCAARN Cn1ncc2c1ncn(CCC(=O)N1CCOCC1(C)C)c2=O ZINC000065516326 184357795 /nfs/dbraw/zinc/35/77/95/184357795.db2.gz PVFQGPZEOKMQSK-UHFFFAOYSA-N 0 0 319.365 0.158 50 0 DCAARN COc1ccc(C(=O)NCCNC(=O)c2cncnc2C)cc1 ZINC000065516694 184358474 /nfs/dbraw/zinc/35/84/74/184358474.db2.gz ZRMSMYJUIICSHO-UHFFFAOYSA-N 0 0 314.345 0.953 50 0 DCAARN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000065516808 184358525 /nfs/dbraw/zinc/35/85/25/184358525.db2.gz LOUDNTMDTKBLHW-TZMCWYRMSA-N 0 0 323.393 0.481 50 0 DCAARN COC[C@@]1(C)NC(=O)N(C[C@H](O)COc2cccc(C)c2)C1=O ZINC000069418773 184513654 /nfs/dbraw/zinc/51/36/54/184513654.db2.gz HKQHITDFCLXJOJ-BLLLJJGKSA-N 0 0 322.361 0.692 50 0 DCAARN CS[C@@H](C)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 ZINC000069484370 184518218 /nfs/dbraw/zinc/51/82/18/184518218.db2.gz CMRYRTYSCAUQAS-QMMMGPOBSA-N 0 0 315.420 0.943 50 0 DCAARN COC(=O)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000069484459 184518241 /nfs/dbraw/zinc/51/82/41/184518241.db2.gz WDUSCKZFBIHUQB-DTWKUNHWSA-N 0 0 302.396 0.612 50 0 DCAARN O=C(CN1CCc2c(ncn2C2CC2)C1)NC1CCOCC1 ZINC000069386863 184511765 /nfs/dbraw/zinc/51/17/65/184511765.db2.gz CHOBQRJERNFAMR-UHFFFAOYSA-N 0 0 304.394 0.871 50 0 DCAARN CCN(C[C@@H]1CCOC1)C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000048263387 285034412 /nfs/dbraw/zinc/03/44/12/285034412.db2.gz QVPWBVMPJQPYDS-QWHCGFSZSA-N 0 0 318.439 0.686 50 0 DCAARN NC(=O)c1ccc(-c2nnn(C[C@H](O)C(F)(F)F)n2)cc1 ZINC000158083021 197243200 /nfs/dbraw/zinc/24/32/00/197243200.db2.gz LDVKEQNZMYCBEB-QMMMGPOBSA-N 0 0 301.228 0.362 50 0 DCAARN C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)NC(N)=O ZINC000002628541 299581030 /nfs/dbraw/zinc/58/10/30/299581030.db2.gz FIXOBMFZMYOWTK-ZETCQYMHSA-N 0 0 306.351 0.553 50 0 DCAARN COC(=O)C1(CS(=O)(=O)N(C)c2ccn(C)n2)CCCC1 ZINC000289674541 221146484 /nfs/dbraw/zinc/14/64/84/221146484.db2.gz CHZXBPBSCTZKLD-UHFFFAOYSA-N 0 0 315.395 0.920 50 0 DCAARN CN(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000252444171 256610989 /nfs/dbraw/zinc/61/09/89/256610989.db2.gz INCWYQCYIUHLMF-QJPTWQEYSA-N 0 0 312.391 0.014 50 0 DCAARN CN1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)[C@H](c2ccccc2)C1 ZINC000252458519 256611192 /nfs/dbraw/zinc/61/11/92/256611192.db2.gz NYVKDMCDBCYQAU-GJZGRUSLSA-N 0 0 322.430 0.936 50 0 DCAARN Cc1ncnc(N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)c1C ZINC000426684547 257244251 /nfs/dbraw/zinc/24/42/51/257244251.db2.gz SHWLOWFQJCXXCB-CHWSQXEVSA-N 0 0 307.398 0.029 50 0 DCAARN CCc1nc(N2CCN(CCN3CCOCC3)CC2)ncc1C ZINC000426621871 257245357 /nfs/dbraw/zinc/24/53/57/257245357.db2.gz XXKQWWRQGXUMKA-UHFFFAOYSA-N 0 0 319.453 0.802 50 0 DCAARN C[C@H](C(=O)N1CC(Oc2ccccc2)C1)N1CCN(C)CC1 ZINC000426490599 257248542 /nfs/dbraw/zinc/24/85/42/257248542.db2.gz SDAQGXSBMMHBRE-CQSZACIVSA-N 0 0 303.406 0.912 50 0 DCAARN Cc1cc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c(=O)n(C)c1C ZINC000426377990 257252585 /nfs/dbraw/zinc/25/25/85/257252585.db2.gz MCGIKBKRLKVKIR-NSHDSACASA-N 0 0 305.334 0.279 50 0 DCAARN Cc1nonc1OCCNC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000426381386 257252685 /nfs/dbraw/zinc/25/26/85/257252685.db2.gz CCSYDVWLKYBIAN-NSHDSACASA-N 0 0 316.317 0.999 50 0 DCAARN COc1ccc(OC)c(C(=O)N2CCN(C[C@@H](C)O)CC2)c1 ZINC000071871039 184878378 /nfs/dbraw/zinc/87/83/78/184878378.db2.gz FOBJTOWQEWOGDX-GFCCVEGCSA-N 0 0 308.378 0.842 50 0 DCAARN COc1cc(C)nc(N2CCN(Cc3nccn3C)CC2)n1 ZINC000069667828 184835243 /nfs/dbraw/zinc/83/52/43/184835243.db2.gz RUJWYHGLPWVAOQ-UHFFFAOYSA-N 0 0 302.382 0.849 50 0 DCAARN COC(=O)CC(C)(C)C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000408516087 533296992 /nfs/dbraw/zinc/29/69/92/533296992.db2.gz MKHQLBOSLNXPOC-JTQLQIEISA-N 0 0 310.354 0.602 50 0 DCAARN COc1ccc(CN2CC[NH+](CC(=O)[O-])CC2)c(OC)c1OC ZINC000299743032 533561424 /nfs/dbraw/zinc/56/14/24/533561424.db2.gz LQIIBZPCAJWGNF-UHFFFAOYSA-N 0 0 324.377 0.915 50 0 DCAARN O=C(NCc1nccn1CCc1ccccc1)[C@H]1COC(=O)N1 ZINC000283533379 131001066 /nfs/dbraw/zinc/00/10/66/131001066.db2.gz TXNWQALARZFTFN-CYBMUJFWSA-N 0 0 314.345 0.850 50 0 DCAARN Cn1nc([C@H]2CCCN2CC(=O)Nc2nccs2)nc1N ZINC000284258904 131064022 /nfs/dbraw/zinc/06/40/22/131064022.db2.gz LYEJRTJBELAUJO-MRVPVSSYSA-N 0 0 307.383 0.629 50 0 DCAARN NC(=O)[C@@]1(O)CCCN(C(=O)c2cccnc2C(F)(F)F)C1 ZINC000284838982 131115417 /nfs/dbraw/zinc/11/54/17/131115417.db2.gz CYNAYDCXFJNLBK-GFCCVEGCSA-N 0 0 317.267 0.553 50 0 DCAARN COCCNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000004850717 134465520 /nfs/dbraw/zinc/46/55/20/134465520.db2.gz XIIAFGSOXLMKTA-UHFFFAOYSA-N 0 0 324.402 0.837 50 0 DCAARN COC[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000027334166 134667823 /nfs/dbraw/zinc/66/78/23/134667823.db2.gz FGRUKLCFTQOSSI-LBPRGKRZSA-N 0 0 308.382 0.752 50 0 DCAARN O=C(N[C@H]1CCCN(c2ncccn2)C1)N1CCC(CO)CC1 ZINC000047101196 134747809 /nfs/dbraw/zinc/74/78/09/134747809.db2.gz GCKAZVXJVKCCEC-AWEZNQCLSA-N 0 0 319.409 0.859 50 0 DCAARN O=C(N[C@H]1CCCCNC1=O)c1ccc(N2CCOCC2)cc1 ZINC000058150167 134792059 /nfs/dbraw/zinc/79/20/59/134792059.db2.gz OKECYNISGAWFCV-HNNXBMFYSA-N 0 0 317.389 0.922 50 0 DCAARN COC(=O)C[C@H](NS(C)(=O)=O)c1ccc(OC)c(OC)c1 ZINC000008277560 395684323 /nfs/dbraw/zinc/68/43/23/395684323.db2.gz ONDAICGXXIFISZ-JTQLQIEISA-N 0 0 317.363 0.857 50 0 DCAARN CO[C@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)O[C@@H](C)[C@H]1OC(C)=O ZINC000025627804 395693769 /nfs/dbraw/zinc/69/37/69/395693769.db2.gz PYFNMYOLTSCFQY-WSBJEXOASA-N 0 0 304.295 0.173 50 0 DCAARN CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000008324114 395684390 /nfs/dbraw/zinc/68/43/90/395684390.db2.gz JUJCORMSCTUOLV-UHFFFAOYSA-N 0 0 311.407 0.372 50 0 DCAARN COCCNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000008728554 395684876 /nfs/dbraw/zinc/68/48/76/395684876.db2.gz OGTRFBLRVREDHU-UHFFFAOYSA-N 0 0 315.167 0.942 50 0 DCAARN CN(C)c1nc(N)nc(Cn2cnc3sccc3c2=O)n1 ZINC000008944247 395684979 /nfs/dbraw/zinc/68/49/79/395684979.db2.gz MVUFRJJZKRKMAE-UHFFFAOYSA-N 0 0 303.351 0.340 50 0 DCAARN CC(=O)Nc1nonc1NC(=O)CSc1nccc(=O)[nH]1 ZINC000008869170 395685056 /nfs/dbraw/zinc/68/50/56/395685056.db2.gz IOLZWXDPKOWMHS-UHFFFAOYSA-N 0 0 310.295 0.254 50 0 DCAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1ccccn1 ZINC000009322921 395685366 /nfs/dbraw/zinc/68/53/66/395685366.db2.gz KFDVTOSCTVBIQD-UHFFFAOYSA-N 0 0 313.313 0.857 50 0 DCAARN O=C(NC1CC1)c1cccc(NC(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000009533344 395685423 /nfs/dbraw/zinc/68/54/23/395685423.db2.gz HIDGFHJHYDXZRS-NSHDSACASA-N 0 0 322.386 0.952 50 0 DCAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(=O)[nH]n1 ZINC000009516814 395685463 /nfs/dbraw/zinc/68/54/63/395685463.db2.gz GOOGOQLNOGZMIN-UHFFFAOYSA-N 0 0 301.302 0.813 50 0 DCAARN CCCCCNC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12 ZINC000009623369 395685495 /nfs/dbraw/zinc/68/54/95/395685495.db2.gz XXOYDKXUELSMTR-UHFFFAOYSA-N 0 0 316.361 0.846 50 0 DCAARN COc1cc(OC)cc(C(=O)NCC(=O)N2CCO[C@@H](C)C2)c1 ZINC000009854098 395685516 /nfs/dbraw/zinc/68/55/16/395685516.db2.gz STGRUXPZZBMZKG-NSHDSACASA-N 0 0 322.361 0.681 50 0 DCAARN Cn1cccc1C(=O)NC(=O)CSc1nnnn1C(C)(C)C ZINC000009691238 395685651 /nfs/dbraw/zinc/68/56/51/395685651.db2.gz KIDJUXLOWXRPSW-UHFFFAOYSA-N 0 0 322.394 0.815 50 0 DCAARN Cc1cc(NC(=O)Cn2nnn(-c3cccs3)c2=O)no1 ZINC000010812971 395686135 /nfs/dbraw/zinc/68/61/35/395686135.db2.gz KXVXMYRHCIDLKM-UHFFFAOYSA-N 0 0 306.307 0.426 50 0 DCAARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)Cn1ccnc1 ZINC000010809879 395686227 /nfs/dbraw/zinc/68/62/27/395686227.db2.gz JIOWOHOMALLZNL-SNVBAGLBSA-N 0 0 320.374 0.508 50 0 DCAARN C[C@H]1CN(C(=O)Cc2nn(C)c(=O)c3ccccc23)CCO1 ZINC000011497244 395686676 /nfs/dbraw/zinc/68/66/76/395686676.db2.gz LOWVEPRQCSMRGP-NSHDSACASA-N 0 0 301.346 0.723 50 0 DCAARN O=S(=O)(c1ccccc1)N1CCN(c2cnccn2)CC1 ZINC000011963882 395687024 /nfs/dbraw/zinc/68/70/24/395687024.db2.gz UTLLGYVEZKIQPT-UHFFFAOYSA-N 0 0 304.375 0.988 50 0 DCAARN CNC(=O)C1CCN(CC(=O)NCCOc2ccccc2)CC1 ZINC000012333969 395687405 /nfs/dbraw/zinc/68/74/05/395687405.db2.gz KKHKZGYOABNSFX-UHFFFAOYSA-N 0 0 319.405 0.640 50 0 DCAARN COc1cc(/C=c2\sc3ncnn3c2=O)ccc1OC(C)=O ZINC000012579541 395687911 /nfs/dbraw/zinc/68/79/11/395687911.db2.gz HTYUBHAYUSEDMF-SDQBBNPISA-N 0 0 317.326 0.633 50 0 DCAARN COC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCS(=O)(=O)C2)c1C ZINC000012697673 395687928 /nfs/dbraw/zinc/68/79/28/395687928.db2.gz OIQYDAVBDYALKB-VIFPVBQESA-N 0 0 314.363 0.335 50 0 DCAARN Cn1c(=O)c2cc(C(=O)NC3CCCC3)cnc2n(C)c1=O ZINC000012818350 395687960 /nfs/dbraw/zinc/68/79/60/395687960.db2.gz DAXPUQCVTBRCFD-UHFFFAOYSA-N 0 0 302.334 0.305 50 0 DCAARN O=C(CNC(=O)c1ccccc1F)NCCCN1CCCC1=O ZINC000012855661 395688016 /nfs/dbraw/zinc/68/80/16/395688016.db2.gz WTIYKUJNIGIDDU-UHFFFAOYSA-N 0 0 321.352 0.684 50 0 DCAARN C[C@@H](OC(=O)c1ccccn1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000012863154 395688049 /nfs/dbraw/zinc/68/80/49/395688049.db2.gz VUSZCOLIVNYJNX-MRVPVSSYSA-N 0 0 312.289 0.932 50 0 DCAARN Cn1c(SCC(=O)N2CCOC2=O)nnc1-c1cccnc1 ZINC000012782392 395688074 /nfs/dbraw/zinc/68/80/74/395688074.db2.gz JOCKQQPFIQFFBE-UHFFFAOYSA-N 0 0 319.346 0.948 50 0 DCAARN COc1ccc(CCC(=O)NCCNS(C)(=O)=O)cc1 ZINC000012883627 395688093 /nfs/dbraw/zinc/68/80/93/395688093.db2.gz IUNWFDIWIGIHBL-UHFFFAOYSA-N 0 0 300.380 0.293 50 0 DCAARN O=C(Cc1csc(NC(=O)[C@H]2CCC(=O)N2)n1)NC1CC1 ZINC000012879545 395688118 /nfs/dbraw/zinc/68/81/18/395688118.db2.gz SRGVVZKFVBXCAV-SECBINFHSA-N 0 0 308.363 0.181 50 0 DCAARN CC(=O)NCCCNC(=O)Cn1cnc2c(C)cccc2c1=O ZINC000013011898 395688333 /nfs/dbraw/zinc/68/83/33/395688333.db2.gz HMPOTNAGSXLNCO-UHFFFAOYSA-N 0 0 316.361 0.347 50 0 DCAARN COCCN1C(=O)C(=C(C)Nc2cccnc2)C(=O)NC1=S ZINC000013150312 395688375 /nfs/dbraw/zinc/68/83/75/395688375.db2.gz LVCDHLZUVPZRDD-LUAWRHEFSA-N 0 0 320.374 0.657 50 0 DCAARN COc1ccc(CN2C(=S)N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000013692412 395688879 /nfs/dbraw/zinc/68/88/79/395688879.db2.gz IJCAPWMYIMIKMW-NEPJUHHUSA-N 0 0 312.416 0.551 50 0 DCAARN NC(=O)c1sc(=S)n(CCCN2CCOCC2)c1N ZINC000013729049 395688913 /nfs/dbraw/zinc/68/89/13/395688913.db2.gz ZZLSYRNFKFJRBZ-UHFFFAOYSA-N 0 0 302.425 0.682 50 0 DCAARN COC(=O)[C@H](C)OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000014186230 395689294 /nfs/dbraw/zinc/68/92/94/395689294.db2.gz VNMNYQSBJZSUAO-BDAKNGLRSA-N 0 0 305.286 0.776 50 0 DCAARN C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000014244559 395689422 /nfs/dbraw/zinc/68/94/22/395689422.db2.gz BBGOBENZBUNWKG-PWSUYJOCSA-N 0 0 303.366 0.825 50 0 DCAARN CN1CCN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CC1 ZINC000019799642 395691148 /nfs/dbraw/zinc/69/11/48/395691148.db2.gz ODPISVPJTQCCLM-UHFFFAOYSA-N 0 0 323.780 0.839 50 0 DCAARN NC(=O)NCc1cn(CC2CCN(c3cnccn3)CC2)nn1 ZINC000020255526 395691168 /nfs/dbraw/zinc/69/11/68/395691168.db2.gz BOFNGEXZDKHXIN-UHFFFAOYSA-N 0 0 316.369 0.153 50 0 DCAARN CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ccccn2)CC1 ZINC000023623908 395692609 /nfs/dbraw/zinc/69/26/09/395692609.db2.gz WOOBCKDCEOKMFK-LBPRGKRZSA-N 0 0 305.382 0.438 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)c1cccnc1N1CCOCC1 ZINC000024479258 395692778 /nfs/dbraw/zinc/69/27/78/395692778.db2.gz TWZOYELENIELKK-UHFFFAOYSA-N 0 0 315.377 0.924 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000024478400 395692907 /nfs/dbraw/zinc/69/29/07/395692907.db2.gz WGVDMOTVNOGIBQ-GFCCVEGCSA-N 0 0 314.411 0.193 50 0 DCAARN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCOCC1 ZINC000000114914 395679835 /nfs/dbraw/zinc/67/98/35/395679835.db2.gz AFVYPHMNSWGXCJ-UHFFFAOYSA-N 0 0 303.336 0.704 50 0 DCAARN CCOC(=O)NC(=O)c1cn(Cc2cccs2)c(=O)[nH]c1=O ZINC000000169547 395679923 /nfs/dbraw/zinc/67/99/23/395679923.db2.gz CSDKKPGKIDDRAE-UHFFFAOYSA-N 0 0 323.330 0.533 50 0 DCAARN CCOC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000000154264 395679943 /nfs/dbraw/zinc/67/99/43/395679943.db2.gz XVPLJIYAGXCEPU-UHFFFAOYSA-N 0 0 315.395 0.692 50 0 DCAARN CCOC(=O)C1=C(C)NC(=O)[C@@H](C(N)=O)[C@@H]1c1ccccc1 ZINC000000185550 395679967 /nfs/dbraw/zinc/67/99/67/395679967.db2.gz RHLQQSZYRRFVJE-CHWSQXEVSA-N 0 0 302.330 0.839 50 0 DCAARN COc1ccc(N([C@H](C)C(=O)N(C)C)S(C)(=O)=O)cc1 ZINC000000203186 395680039 /nfs/dbraw/zinc/68/00/39/395680039.db2.gz BVPKLCVBYZEGHN-SNVBAGLBSA-N 0 0 300.380 0.938 50 0 DCAARN COc1cccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000000224226 395680104 /nfs/dbraw/zinc/68/01/04/395680104.db2.gz IZYDQKLPGPHETC-UHFFFAOYSA-N 0 0 311.319 0.181 50 0 DCAARN Cc1nn(C)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000000375887 395680329 /nfs/dbraw/zinc/68/03/29/395680329.db2.gz TYULJQUQQSXPOX-UHFFFAOYSA-N 0 0 302.334 0.920 50 0 DCAARN O=C(OCCN1C(=O)c2ccccc2C1=O)N1CCOCC1 ZINC000000477376 395680417 /nfs/dbraw/zinc/68/04/17/395680417.db2.gz AJTLANFIDVTOPV-UHFFFAOYSA-N 0 0 304.302 0.751 50 0 DCAARN CCOC(=O)C1=C[C@@]2(CC(=O)N(c3ccc(C)cc3)C2=O)NN1 ZINC000000546707 395680509 /nfs/dbraw/zinc/68/05/09/395680509.db2.gz NBXUNGWBJHGRGB-INIZCTEOSA-N 0 0 315.329 0.910 50 0 DCAARN COc1cccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000000615412 395680538 /nfs/dbraw/zinc/68/05/38/395680538.db2.gz UPFUYIIMGLLNHM-UHFFFAOYSA-N 0 0 300.318 0.491 50 0 biogenic DCAARN CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C)cc1 ZINC000001391719 395680740 /nfs/dbraw/zinc/68/07/40/395680740.db2.gz UDUGABBPQCHNJG-CYBMUJFWSA-N 0 0 304.346 0.889 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000001396257 395680787 /nfs/dbraw/zinc/68/07/87/395680787.db2.gz MSTUCCNTJCDGAZ-UHFFFAOYSA-N 0 0 315.347 0.503 50 0 DCAARN O=C(COc1nsnc1N1CCOCC1)NCc1ccco1 ZINC000001431923 395680788 /nfs/dbraw/zinc/68/07/88/395680788.db2.gz PPYCZQZXRYFOCO-UHFFFAOYSA-N 0 0 324.362 0.663 50 0 DCAARN CCOC(=O)C(NC(=O)c1cccnc1Cl)C(=O)OCC ZINC000002162947 395681367 /nfs/dbraw/zinc/68/13/67/395681367.db2.gz YTBWWHUBOGTCHG-UHFFFAOYSA-N 0 0 314.725 0.960 50 0 DCAARN NC(=[NH2+])NCCC[C@H](NC(=S)Nc1ccccc1)C(=O)[O-] ZINC000002290399 395681396 /nfs/dbraw/zinc/68/13/96/395681396.db2.gz BDVWKLYXHUUZSI-JTQLQIEISA-N 0 0 309.395 0.689 50 0 DCAARN O=C1CSC(=O)N1CCOCCN1C(=O)CSC1=O ZINC000002272228 395681428 /nfs/dbraw/zinc/68/14/28/395681428.db2.gz RDLKLGWWKVWXKV-UHFFFAOYSA-N 0 0 304.349 0.394 50 0 DCAARN CCCNC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000002179154 395681483 /nfs/dbraw/zinc/68/14/83/395681483.db2.gz URMKHKNBRIPHKP-UHFFFAOYSA-N 0 0 300.380 0.987 50 0 DCAARN CC(=O)N1CCN(C(=O)Cn2c3ccccc3oc2=O)CC1 ZINC000002631117 395681704 /nfs/dbraw/zinc/68/17/04/395681704.db2.gz YRLKXSBNVJIYTA-UHFFFAOYSA-N 0 0 303.318 0.285 50 0 DCAARN CCn1nc(C(=O)O[C@H]2CCOC2=O)c2ccccc2c1=O ZINC000002664642 395681747 /nfs/dbraw/zinc/68/17/47/395681747.db2.gz DBTMJCVYRHKXNH-NSHDSACASA-N 0 0 302.286 0.889 50 0 DCAARN COC(=O)C1=CN2C=CC=CC2=C(C(=O)OC)[C@H]1C(=O)OC ZINC000003132215 395682291 /nfs/dbraw/zinc/68/22/91/395682291.db2.gz KYMUWNNRQJYFNG-NSHDSACASA-N 0 0 305.286 0.659 50 0 DCAARN COc1ccccc1S(=O)(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000085467219 395700919 /nfs/dbraw/zinc/70/09/19/395700919.db2.gz UXLOYWMXGFMSKY-GFCCVEGCSA-N 0 0 314.407 0.382 50 0 DCAARN O=C(C=Cc1ccc2c(c1)CCO2)OCCN1C(=O)CNC1=O ZINC000030804893 395704193 /nfs/dbraw/zinc/70/41/93/395704193.db2.gz CIYNOMCSHYYKLO-DUXPYHPUSA-N 0 0 316.313 0.730 50 0 DCAARN CN1N=C(C(=O)Nc2ccc(N3CCOCC3)cn2)CCC1=O ZINC000030975650 395705057 /nfs/dbraw/zinc/70/50/57/395705057.db2.gz DLMGGEPOXRWHSD-UHFFFAOYSA-N 0 0 317.349 0.465 50 0 DCAARN c1cnc2c(n1)nc(N1CCOCC1)nc2N1CCOCC1 ZINC000032105495 395709321 /nfs/dbraw/zinc/70/93/21/395709321.db2.gz QKTVREVNVKMDHC-UHFFFAOYSA-N 0 0 302.338 0.093 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)c3cnn(C)c3C)CCO2)[nH]1 ZINC000089289799 395709842 /nfs/dbraw/zinc/70/98/42/395709842.db2.gz WNYVZDJCFVTIRV-LLVKDONJSA-N 0 0 304.354 0.623 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)c3cnn(C)c3C)CCO2)[nH]1 ZINC000089289798 395710168 /nfs/dbraw/zinc/71/01/68/395710168.db2.gz WNYVZDJCFVTIRV-NSHDSACASA-N 0 0 304.354 0.623 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)o1 ZINC000032633729 395711929 /nfs/dbraw/zinc/71/19/29/395711929.db2.gz AMPWKOXYPRUENI-IUCAKERBSA-N 0 0 302.352 0.437 50 0 DCAARN COc1cccc(CN(C)C(=O)Cn2ccc(=O)n(C)c2=O)c1 ZINC000032675012 395712276 /nfs/dbraw/zinc/71/22/76/395712276.db2.gz NGLQLOOSAUCADD-UHFFFAOYSA-N 0 0 317.345 0.214 50 0 DCAARN O=C(CN1CCC(O)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000032664888 395712337 /nfs/dbraw/zinc/71/23/37/395712337.db2.gz FQWUPWHHTABCHH-UHFFFAOYSA-N 0 0 317.389 0.974 50 0 DCAARN Cc1cc([C@@H]2CCCN(C(=O)CN3CSCC3=O)C2)[nH]n1 ZINC000089598987 395713177 /nfs/dbraw/zinc/71/31/77/395713177.db2.gz QUANCPOUKTWVQA-LLVKDONJSA-N 0 0 308.407 0.957 50 0 DCAARN CNC(=O)[C@@H]1CCCCN1C(=O)CN(C)C(=O)OC(C)(C)C ZINC000089661710 395713960 /nfs/dbraw/zinc/71/39/60/395713960.db2.gz QAQVWQAQXPPQOX-NSHDSACASA-N 0 0 313.398 0.980 50 0 DCAARN O=C(CN1CCOCC1)N1CCN(c2ccncc2Cl)CC1 ZINC000089884902 395715969 /nfs/dbraw/zinc/71/59/69/395715969.db2.gz WGGYBUQBGVYYBI-UHFFFAOYSA-N 0 0 324.812 0.716 50 0 DCAARN Cc1nn(C)c2c1ccn(CC(=O)NC[C@H]1CCCO1)c2=O ZINC000033171652 395716595 /nfs/dbraw/zinc/71/65/95/395716595.db2.gz PZHBTBGGYNZOGD-LLVKDONJSA-N 0 0 304.350 0.339 50 0 DCAARN C[C@@]1(C(=O)N2CCO[C@@H](C(N)=O)C2)CCCc2ccccc21 ZINC000089919407 395716654 /nfs/dbraw/zinc/71/66/54/395716654.db2.gz FDAWSYHWLUKXGS-RHSMWYFYSA-N 0 0 302.374 0.993 50 0 DCAARN CNC(=O)N(C)CCc1noc(C(=O)NCc2ccccc2)n1 ZINC000033273432 395716919 /nfs/dbraw/zinc/71/69/19/395716919.db2.gz MGZSYJITJYJEKX-UHFFFAOYSA-N 0 0 317.349 0.813 50 0 DCAARN CC(=O)N1CCCN(C(=O)NCc2nnc3ccccn32)CC1 ZINC000089930546 395717005 /nfs/dbraw/zinc/71/70/05/395717005.db2.gz XKTHGLNUMPZIDA-UHFFFAOYSA-N 0 0 316.365 0.493 50 0 DCAARN C[C@@H]1CCc2sc(C(=O)N3C[C@@H](O)C[C@@H]3C(N)=O)cc2C1 ZINC000089930080 395717040 /nfs/dbraw/zinc/71/70/40/395717040.db2.gz QAIWWQKQSUDIKB-DVVUODLYSA-N 0 0 308.403 0.934 50 0 DCAARN C[C@@H]1CN(CCNC(=O)NCCCn2cncn2)C[C@@H](C)O1 ZINC000089936668 395717110 /nfs/dbraw/zinc/71/71/10/395717110.db2.gz PDEDCYSBPDVJAA-CHWSQXEVSA-N 0 0 310.402 0.077 50 0 DCAARN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C(=O)NC)C(C)C ZINC000089941735 395717116 /nfs/dbraw/zinc/71/71/16/395717116.db2.gz VBDCHKGEKHFYDV-KOLCDFICSA-N 0 0 301.412 0.185 50 0 DCAARN CC(=O)N1CCCN(C(=O)NCCNc2ccccn2)CC1 ZINC000089930540 395717364 /nfs/dbraw/zinc/71/73/64/395717364.db2.gz QDNWGEYHSVMETE-UHFFFAOYSA-N 0 0 305.382 0.757 50 0 DCAARN COC(=O)CNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C ZINC000034533068 395718020 /nfs/dbraw/zinc/71/80/20/395718020.db2.gz MCNJPKDIMSOGTM-VIFPVBQESA-N 0 0 320.411 0.922 50 0 DCAARN CC(C)COC[C@@H]1C[C@H](Cc2sc(N)nc2O)C(=O)O1 ZINC000035371795 395720328 /nfs/dbraw/zinc/72/03/28/395720328.db2.gz WHCZDZGEYSPRSQ-KXUCPTDWSA-N 0 0 300.380 0.938 50 0 DCAARN CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cn(CC)cn2)C1 ZINC000035505843 395720924 /nfs/dbraw/zinc/72/09/24/395720924.db2.gz FKFCVKQFRVQNDU-NSHDSACASA-N 0 0 314.411 0.440 50 0 DCAARN Cc1ccc(N2C(=O)C[C@@H](N[C@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000035686492 395721345 /nfs/dbraw/zinc/72/13/45/395721345.db2.gz MPVACWMXHVRPFD-WCQYABFASA-N 0 0 322.386 0.404 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)c2nsnc21 ZINC000036006203 395721626 /nfs/dbraw/zinc/72/16/26/395721626.db2.gz ZPOBWBBFXZTTBT-UHFFFAOYSA-N 0 0 312.420 0.936 50 0 DCAARN COc1cccc(COCC(=O)NCC(=O)N2CCCC2)c1 ZINC000036396288 395723205 /nfs/dbraw/zinc/72/32/05/395723205.db2.gz UMRSPXQTESYGQI-UHFFFAOYSA-N 0 0 306.362 0.950 50 0 DCAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCc1cccnc1 ZINC000036597149 395723289 /nfs/dbraw/zinc/72/32/89/395723289.db2.gz IVIMPZODGCITCY-CQSZACIVSA-N 0 0 324.340 0.839 50 0 DCAARN CCc1noc(C)c1C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000036386294 395723434 /nfs/dbraw/zinc/72/34/34/395723434.db2.gz XHFMOOQFZSXPNK-UHFFFAOYSA-N 0 0 320.393 0.582 50 0 DCAARN O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)N1CCCCCC1 ZINC000028325903 395695943 /nfs/dbraw/zinc/69/59/43/395695943.db2.gz HMASRJKYQGCGKC-CYBMUJFWSA-N 0 0 315.439 0.850 50 0 DCAARN COc1ccc(C(=O)O[C@H](C)C(=O)N2CCOCC2)c(O)c1 ZINC000028698922 395696243 /nfs/dbraw/zinc/69/62/43/395696243.db2.gz PPTIIUFOMVXNCZ-SNVBAGLBSA-N 0 0 309.318 0.805 50 0 DCAARN COc1ccc([C@H](NC(=O)CN2CCNC(=O)C2)C(C)C)cc1 ZINC000028932754 395696630 /nfs/dbraw/zinc/69/66/30/395696630.db2.gz RWZQIZLOQCFPBI-QGZVFWFLSA-N 0 0 319.405 0.940 50 0 DCAARN CC[C@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@@H]1N1CCOCC1 ZINC000084735660 395698762 /nfs/dbraw/zinc/69/87/62/395698762.db2.gz BFKWUGSFDXXAGZ-STQMWFEESA-N 0 0 309.410 0.082 50 0 DCAARN Cn1nccc1C(=O)NCC(=O)Nc1nnc(C2CC2)s1 ZINC000096192621 395748400 /nfs/dbraw/zinc/74/84/00/395748400.db2.gz BXPZEDJSEFQDAU-UHFFFAOYSA-N 0 0 306.351 0.518 50 0 DCAARN Cn1ccc(C(=O)NCC(=O)Nc2nnc(C3CC3)s2)n1 ZINC000096192628 395748519 /nfs/dbraw/zinc/74/85/19/395748519.db2.gz ZGLSIBAGIQVHNF-UHFFFAOYSA-N 0 0 306.351 0.518 50 0 DCAARN O=C(CN1c2cccnc2Oc2ccccc2C1=O)NCCO ZINC000096118874 395745699 /nfs/dbraw/zinc/74/56/99/395745699.db2.gz CFTUMFRYJOJTSH-UHFFFAOYSA-N 0 0 313.313 0.943 50 0 DCAARN Cc1ncn(CC(=O)Nc2cnn([C@@H]3CCOC3)c2)c(=O)c1C ZINC000096123166 395745738 /nfs/dbraw/zinc/74/57/38/395745738.db2.gz KHSHGZWDBFPUEN-CYBMUJFWSA-N 0 0 317.349 0.657 50 0 DCAARN CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@H]1NC(C)=O ZINC000043760872 395754444 /nfs/dbraw/zinc/75/44/44/395754444.db2.gz XCDVOAZVARITEI-FGZZBPHYSA-N 0 0 323.345 0.338 50 0 DCAARN O=C(N[C@H]1CCc2nccn2C1)[C@H]1CC(=O)N(CC2CC2)C1 ZINC000097197930 395755776 /nfs/dbraw/zinc/75/57/76/395755776.db2.gz ULQNLFMYSNGFJK-STQMWFEESA-N 0 0 302.378 0.573 50 0 DCAARN CN1CC[C@@H](C(=O)N2CCN(c3ccccn3)CC2)CC1=O ZINC000044293742 395755923 /nfs/dbraw/zinc/75/59/23/395755923.db2.gz YORZONRBYKSBRV-CYBMUJFWSA-N 0 0 302.378 0.599 50 0 DCAARN O=C(Cn1cccn1)N1CCN(Cc2ccoc2)C[C@@H](O)C1 ZINC000097475037 395757999 /nfs/dbraw/zinc/75/79/99/395757999.db2.gz PSALALJWTYFIGS-CQSZACIVSA-N 0 0 304.350 0.181 50 0 DCAARN COCCOc1ccc(CNC(=O)N2CCC[C@@H]2C(N)=O)cc1 ZINC000043081121 395751621 /nfs/dbraw/zinc/75/16/21/395751621.db2.gz ZKRUOAJOLIIHOD-CQSZACIVSA-N 0 0 321.377 0.871 50 0 DCAARN Cc1nnc2n1CCN(CC(=O)N1CCO[C@H]3CCCC[C@H]31)C2 ZINC000106663613 395784053 /nfs/dbraw/zinc/78/40/53/395784053.db2.gz QOWAAWQRSYOOGK-KGLIPLIRSA-N 0 0 319.409 0.572 50 0 DCAARN CCc1nc([C@@H]2CCCN2CC(=O)NC[C@H]2CCOC2)no1 ZINC000106903379 395784509 /nfs/dbraw/zinc/78/45/09/395784509.db2.gz IMGKBNONUKOWBC-NEPJUHHUSA-N 0 0 308.382 0.922 50 0 DCAARN O=C(c1cccc(-c2nc[nH]n2)c1)N1CCN(CCO)CC1 ZINC000097600923 395759101 /nfs/dbraw/zinc/75/91/01/395759101.db2.gz FGUYMECWZZWOLO-UHFFFAOYSA-N 0 0 301.350 0.222 50 0 DCAARN COc1ccc(CCCNC(=O)[C@H]2CCC(=O)NC(=O)N2)cc1 ZINC000097574878 395759319 /nfs/dbraw/zinc/75/93/19/395759319.db2.gz LZOVYOCZXDTHOZ-CYBMUJFWSA-N 0 0 319.361 0.732 50 0 DCAARN CC(=O)N1CCC2(CCN(Cc3nc(C)no3)C[C@@H]2CO)CC1 ZINC000097654026 395759605 /nfs/dbraw/zinc/75/96/05/395759605.db2.gz DHOYIPVZIKZFJC-CQSZACIVSA-N 0 0 322.409 0.821 50 0 DCAARN C[C@H](C(=O)Nc1ccc(N2CCOCC2)nc1)S(C)(=O)=O ZINC000044936315 395760283 /nfs/dbraw/zinc/76/02/83/395760283.db2.gz LOFXCUQONJEBNL-SNVBAGLBSA-N 0 0 313.379 0.290 50 0 DCAARN COc1ccc(CNC(=O)[C@@H]2CCC(=O)NC(=O)N2)c(OC)c1 ZINC000097819703 395760896 /nfs/dbraw/zinc/76/08/96/395760896.db2.gz MQTCSFWYXLJSFG-NSHDSACASA-N 0 0 321.333 0.308 50 0 DCAARN CCNC(=O)N1CCC[C@@H](n2c(=O)n(C)c3cncnc32)C1 ZINC000097940770 395761322 /nfs/dbraw/zinc/76/13/22/395761322.db2.gz BSECZAWMPLWKPW-SNVBAGLBSA-N 0 0 304.354 0.496 50 0 DCAARN Cn1cc(N2CC[C@@H](NC(=O)CCc3cccnc3)C2=O)cn1 ZINC000098010379 395761343 /nfs/dbraw/zinc/76/13/43/395761343.db2.gz IHSCDOWCKNFJEQ-CQSZACIVSA-N 0 0 313.361 0.669 50 0 DCAARN CCCOC(=O)[C@@H]1[C@H]2C(=O)N(C[C@@H]3CCCO3)C[C@@]23C=C[C@@H]1O3 ZINC000097957259 395761458 /nfs/dbraw/zinc/76/14/58/395761458.db2.gz CWKHMXLOOBRICA-DEEHTKSCSA-N 0 0 321.373 0.901 50 0 biogenic DCAARN COc1cccn(CC(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3OC)c1=O ZINC000102664368 395771209 /nfs/dbraw/zinc/77/12/09/395771209.db2.gz GSFCUSAWVVJBLR-JYAVWHMHSA-N 0 0 306.362 0.740 50 0 DCAARN Cn1c(=O)ccn(CC(=O)N2CCC[C@H]2c2cccs2)c1=O ZINC000048128713 395808440 /nfs/dbraw/zinc/80/84/40/395808440.db2.gz ZMAAAEQNQLMLFE-NSHDSACASA-N 0 0 319.386 0.972 50 0 DCAARN C[C@@H](NC(=O)c1cccnc1N1CCOCC1)C(=O)N(C)C ZINC000048220771 395810960 /nfs/dbraw/zinc/81/09/60/395810960.db2.gz JGMDAFBRRUIUBA-LLVKDONJSA-N 0 0 306.366 0.125 50 0 DCAARN CN(C)[C@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccco1 ZINC000048261381 395811638 /nfs/dbraw/zinc/81/16/38/395811638.db2.gz HCRBONQYZXICIS-WDEREUQCSA-N 0 0 315.395 0.369 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)Nc2ncccc2C)CC1 ZINC000048287449 395812337 /nfs/dbraw/zinc/81/23/37/395812337.db2.gz PMGDDYGJNDRTLT-UHFFFAOYSA-N 0 0 305.382 0.722 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)N1CCc2ccccc2C1 ZINC000048287159 395812431 /nfs/dbraw/zinc/81/24/31/395812431.db2.gz CKSRUACEYACFJY-UHFFFAOYSA-N 0 0 311.407 0.694 50 0 DCAARN Cc1noc(CN2CCCC[C@H]2CCNS(C)(=O)=O)n1 ZINC000048580593 395817626 /nfs/dbraw/zinc/81/76/26/395817626.db2.gz ZSESVWKRTCAEPR-NSHDSACASA-N 0 0 302.400 0.672 50 0 DCAARN CC[C@H](CO)NC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000048604847 395819322 /nfs/dbraw/zinc/81/93/22/395819322.db2.gz ANGQYQRUOJXOAP-SNVBAGLBSA-N 0 0 321.333 0.469 50 0 DCAARN CNC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000048645431 395820911 /nfs/dbraw/zinc/82/09/11/395820911.db2.gz SHBUKCPRRJOXNQ-UHFFFAOYSA-N 0 0 304.416 0.064 50 0 DCAARN COC(=O)NCC(=O)OCCN1C(=O)c2ccccc2C1=O ZINC000048710122 395822646 /nfs/dbraw/zinc/82/26/46/395822646.db2.gz YQZHRAVHBPYZSG-UHFFFAOYSA-N 0 0 306.274 0.182 50 0 DCAARN COc1nccnc1O[C@H]1CCN(C(=O)N2CCNC2=O)C1 ZINC000225390095 395859413 /nfs/dbraw/zinc/85/94/13/395859413.db2.gz GXXICUWVNUVUOF-VIFPVBQESA-N 0 0 307.310 0.084 50 0 DCAARN Cn1cc(C(=O)N2CCN(C[C@@H](O)c3cccs3)CC2)nn1 ZINC000049031440 395827209 /nfs/dbraw/zinc/82/72/09/395827209.db2.gz GNRIODSQJJDAMC-GFCCVEGCSA-N 0 0 321.406 0.368 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@]12CCOC2 ZINC000195481395 395828877 /nfs/dbraw/zinc/82/88/77/395828877.db2.gz CJNHJDUOOLCJMQ-CYBMUJFWSA-N 0 0 315.395 0.217 50 0 DCAARN Cc1nnsc1CNC(=O)[C@@H](c1ccccc1)n1cnnn1 ZINC000219422712 395845621 /nfs/dbraw/zinc/84/56/21/395845621.db2.gz UIGWFEPLHQHPIS-GFCCVEGCSA-N 0 0 315.362 0.739 50 0 DCAARN CNc1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NC(C)=O)ccn1 ZINC000219474920 395845660 /nfs/dbraw/zinc/84/56/60/395845660.db2.gz AGLHTTBXKAVERI-YXCITZCRSA-N 0 0 304.350 0.145 50 0 DCAARN CSCc1noc(CNC(=O)[C@H](N)c2c(C)n[nH]c2C)n1 ZINC000219935315 395847000 /nfs/dbraw/zinc/84/70/00/395847000.db2.gz FHKASGZHQJGKMW-LLVKDONJSA-N 0 0 310.383 0.589 50 0 DCAARN COCCc1noc([C@H](C)NC(=O)c2cnc(N)nc2C)n1 ZINC000221340445 395850497 /nfs/dbraw/zinc/85/04/97/395850497.db2.gz XNFDVQMMNKSUBT-QMMMGPOBSA-N 0 0 306.326 0.430 50 0 DCAARN CC(C)Cn1cncc1CNC(=O)c1cnc2nc[nH]n2c1=O ZINC000221233606 395850698 /nfs/dbraw/zinc/85/06/98/395850698.db2.gz KVFVDIUHJGDJCZ-UHFFFAOYSA-N 0 0 315.337 0.200 50 0 DCAARN CCc1cc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)ccn1 ZINC000221394669 395851025 /nfs/dbraw/zinc/85/10/25/395851025.db2.gz LROCBNOEFOIKIS-UHFFFAOYSA-N 0 0 300.366 0.720 50 0 DCAARN C/C=C\C[S@](=O)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000221883151 395851035 /nfs/dbraw/zinc/85/10/35/395851035.db2.gz JWOQHTMMVRLFEA-MTRKVUCGSA-N 0 0 300.424 0.828 50 0 DCAARN CC[C@H](NC(=O)c1c[nH]c2cc(C)nn2c1=O)[C@H]1C[C@H](O)C1 ZINC000222423318 395852902 /nfs/dbraw/zinc/85/29/02/395852902.db2.gz LNGJOAQCVMYAJX-UMNHJUIQSA-N 0 0 304.350 0.610 50 0 DCAARN O=C(CN1CCOC1=O)N1CCC[C@@H](C(=O)c2ccccn2)C1 ZINC000223233799 395853982 /nfs/dbraw/zinc/85/39/82/395853982.db2.gz HPBLPDCCOFAPSG-GFCCVEGCSA-N 0 0 317.345 0.955 50 0 DCAARN CC(C)c1nc(CNC(=O)Cn2ccc(=O)[nH]c2=O)cs1 ZINC000223408569 395855145 /nfs/dbraw/zinc/85/51/45/395855145.db2.gz IKEJHXUNOWXBLN-UHFFFAOYSA-N 0 0 308.363 0.433 50 0 DCAARN CCO[C@H]1CN(C(=O)c2sc3[nH]cnc(=O)c3c2C)C[C@@H]1O ZINC000223892078 395857527 /nfs/dbraw/zinc/85/75/27/395857527.db2.gz VWXLKVNDRZCXTC-IUCAKERBSA-N 0 0 323.374 0.515 50 0 DCAARN O=C(NCCNc1cnccn1)[C@@H]1COc2ccccc2O1 ZINC000047492608 395793842 /nfs/dbraw/zinc/79/38/42/395793842.db2.gz WZWXRHDIENPYKM-ZDUSSCGKSA-N 0 0 300.318 0.845 50 0 DCAARN CCC1(CO)CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000124330221 395900657 /nfs/dbraw/zinc/90/06/57/395900657.db2.gz YXDPKUIYZAQHPU-UONOGXRCSA-N 0 0 313.442 0.900 50 0 DCAARN COC(=O)[C@@H](NC(=O)CCn1c(C)cc(C)nc1=O)C1CC1 ZINC000055404233 395918560 /nfs/dbraw/zinc/91/85/60/395918560.db2.gz AHMGYENWPBXSLT-ZDUSSCGKSA-N 0 0 307.350 0.318 50 0 DCAARN Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)nc1 ZINC000238977999 395923020 /nfs/dbraw/zinc/92/30/20/395923020.db2.gz ZYSNXDPBGBUEHH-LBPRGKRZSA-N 0 0 322.390 0.966 50 0 DCAARN CN(C[C@H]1COCCO1)C(=O)CCn1c2ccccc2[nH]c1=O ZINC000244811374 395925527 /nfs/dbraw/zinc/92/55/27/395925527.db2.gz SBQOIHWYMYCPLL-LBPRGKRZSA-N 0 0 319.361 0.594 50 0 DCAARN COc1cccc(F)c1C(=O)N1CCN2CCN(C)C[C@H]2C1 ZINC000244866491 395925720 /nfs/dbraw/zinc/92/57/20/395925720.db2.gz VXAUDONBCWOLQJ-LBPRGKRZSA-N 0 0 307.369 0.906 50 0 DCAARN Cn1cc([C@@H](NC(=O)COc2cccnc2)[C@H]2C[C@H](O)C2)cn1 ZINC000244866439 395925806 /nfs/dbraw/zinc/92/58/06/395925806.db2.gz VWDLCUZMPMZTGS-RBOXIYTFSA-N 0 0 316.361 0.822 50 0 DCAARN O=C(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)C1=NNC(=O)CC1 ZINC000244874669 395925822 /nfs/dbraw/zinc/92/58/22/395925822.db2.gz XFJXUKCYHJNTOT-YDHLFZDLSA-N 0 0 315.373 0.751 50 0 DCAARN CC(=O)N1CCC(C(=O)NCCc2cn3cccnc3n2)CC1 ZINC000244858419 395926301 /nfs/dbraw/zinc/92/63/01/395926301.db2.gz VKVXGWJSCXJBEJ-UHFFFAOYSA-N 0 0 315.377 0.647 50 0 DCAARN Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2ccsc2)C1 ZINC000244975303 395926598 /nfs/dbraw/zinc/92/65/98/395926598.db2.gz IKKGYSVCNFJZOF-UHFFFAOYSA-N 0 0 311.388 0.780 50 0 DCAARN O=C(Cn1ccc2ccccc21)N1CC(N2C(=O)CNC2=O)C1 ZINC000244909748 395926726 /nfs/dbraw/zinc/92/67/26/395926726.db2.gz ATNVJZPFLJOYGT-UHFFFAOYSA-N 0 0 312.329 0.404 50 0 DCAARN O=C(CN1CCC(N2CCNC2=O)CC1)NCC(F)(F)F ZINC000052216688 395861748 /nfs/dbraw/zinc/86/17/48/395861748.db2.gz BBCFOCLCIJUWBK-UHFFFAOYSA-N 0 0 308.304 0.155 50 0 DCAARN O=C(NCCn1cnc2ccsc2c1=O)c1ccc(=O)[nH]c1 ZINC000225776264 395863125 /nfs/dbraw/zinc/86/31/25/395863125.db2.gz RZRHSAMUJDWXDO-UHFFFAOYSA-N 0 0 316.342 0.576 50 0 DCAARN COc1nn(C)cc1C(=O)N1CC[C@@H](Oc2cnccn2)C1 ZINC000225793845 395863811 /nfs/dbraw/zinc/86/38/11/395863811.db2.gz VLPLSRDMANFAAJ-SNVBAGLBSA-N 0 0 303.322 0.512 50 0 DCAARN COc1ccccc1OCc1cn(CC(=O)NCCCO)nn1 ZINC000227160813 395867836 /nfs/dbraw/zinc/86/78/36/395867836.db2.gz QLCCFCAKZIEGAT-UHFFFAOYSA-N 0 0 320.349 0.364 50 0 DCAARN COc1ccccc1OCc1cn(CC(=O)NC[C@@H](C)O)nn1 ZINC000227160587 395867859 /nfs/dbraw/zinc/86/78/59/395867859.db2.gz VLHTUHNFNDYXNX-LLVKDONJSA-N 0 0 320.349 0.363 50 0 DCAARN COCCNC(=O)c1ccccc1SCc1nnnn1C ZINC000227150281 395868101 /nfs/dbraw/zinc/86/81/01/395868101.db2.gz CAHABWUFTXZLFW-UHFFFAOYSA-N 0 0 307.379 0.879 50 0 DCAARN CN(CC(N)=O)CC(=O)NCCOc1ccc2ccccc2c1 ZINC000052831869 395871580 /nfs/dbraw/zinc/87/15/80/395871580.db2.gz WBDQFWOIBPSADW-UHFFFAOYSA-N 0 0 315.373 0.752 50 0 DCAARN C[C@H](NC(=O)CN1CCO[C@@H](Cn2cncn2)C1)c1ccco1 ZINC000229498547 395874630 /nfs/dbraw/zinc/87/46/30/395874630.db2.gz KREHONZJQAAKGR-QWHCGFSZSA-N 0 0 319.365 0.449 50 0 DCAARN CNC(=O)CNC(=O)[C@H]1CCN(c2ccc(C)c(C)c2)C1=O ZINC000053120678 395876079 /nfs/dbraw/zinc/87/60/79/395876079.db2.gz SXBNNZXZPLLLFP-CYBMUJFWSA-N 0 0 303.362 0.519 50 0 DCAARN O=C(CCCn1cncn1)NC1CCN(c2ncccn2)CC1 ZINC000053157283 395877621 /nfs/dbraw/zinc/87/76/21/395877621.db2.gz BIDJTRYJVODFGT-UHFFFAOYSA-N 0 0 315.381 0.634 50 0 DCAARN Cn1ncc2c1nc(CN1CCO[C@@H]3CCCC[C@H]31)[nH]c2=O ZINC000230201631 395879552 /nfs/dbraw/zinc/87/95/52/395879552.db2.gz MBOFAVLDYLZRMR-VXGBXAGGSA-N 0 0 303.366 0.800 50 0 DCAARN COC(=O)NCC(=O)NCCNC(=O)c1ccccc1Cl ZINC000053500717 395885070 /nfs/dbraw/zinc/88/50/70/395885070.db2.gz HFAHKIPKIIZIPK-UHFFFAOYSA-N 0 0 313.741 0.542 50 0 DCAARN O=C(Cn1c(=O)sc2ccccc2c1=O)NC[C@H]1CCCO1 ZINC000274772112 395975328 /nfs/dbraw/zinc/97/53/28/395975328.db2.gz VCNBJAADVHBXGC-SNVBAGLBSA-N 0 0 320.370 0.718 50 0 DCAARN Cc1nc([C@@H]2CCCN2CC(=O)N[C@H]2CCCCNC2=O)no1 ZINC000248037354 395981236 /nfs/dbraw/zinc/98/12/36/395981236.db2.gz NQFYJYPQWYXNGK-RYUDHWBXSA-N 0 0 321.381 0.300 50 0 DCAARN CCOC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCOC[C@H]1C ZINC000247978608 395981696 /nfs/dbraw/zinc/98/16/96/395981696.db2.gz WGZNJDPEWORVDF-VXGBXAGGSA-N 0 0 320.411 0.370 50 0 DCAARN CN1C(=O)CSc2cnn(CC(=O)NC3CCCC3)c(=O)c21 ZINC000065132365 395990537 /nfs/dbraw/zinc/99/05/37/395990537.db2.gz PCEWZSSEIRGENK-UHFFFAOYSA-N 0 0 322.390 0.371 50 0 DCAARN COCCNC(=O)c1nc2c(cnn2C)c(N2CCCC2)n1 ZINC000065257127 395991032 /nfs/dbraw/zinc/99/10/32/395991032.db2.gz MWSUCDKDABZCQP-UHFFFAOYSA-N 0 0 304.354 0.340 50 0 DCAARN O=C1NCCCn2cc(S(=O)(=O)NCc3ccncc3)cc21 ZINC000065258628 395991037 /nfs/dbraw/zinc/99/10/37/395991037.db2.gz YQKIWEVGIOPVTL-UHFFFAOYSA-N 0 0 320.374 0.495 50 0 DCAARN COc1ccc(CCNC(=O)N[C@H](C)c2nnnn2C)c(F)c1 ZINC000252497765 396021998 /nfs/dbraw/zinc/02/19/98/396021998.db2.gz QPGPGZMHNMFLDR-SECBINFHSA-N 0 0 322.344 0.961 50 0 DCAARN CNC(=O)c1[nH]nc2c1CN(C(=O)CSCC1CC1)CC2 ZINC000252509032 396022235 /nfs/dbraw/zinc/02/22/35/396022235.db2.gz YBLXAJBSGUAVGQ-UHFFFAOYSA-N 0 0 308.407 0.797 50 0 DCAARN CC(C)[C@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000252570396 396023176 /nfs/dbraw/zinc/02/31/76/396023176.db2.gz WQMDIRUSFSYXDT-RYUDHWBXSA-N 0 0 323.349 0.428 50 0 DCAARN CN1CC[C@H](NS(=O)(=O)N2CCC[C@H]2c2ccco2)C1=O ZINC000252671820 396024009 /nfs/dbraw/zinc/02/40/09/396024009.db2.gz OJEXERYTHMIPRI-QWRGUYRKSA-N 0 0 313.379 0.482 50 0 DCAARN COCC(=O)N[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1CO ZINC000253413045 396027674 /nfs/dbraw/zinc/02/76/74/396027674.db2.gz SVXUVOPSTJYUKA-SMDDNHRTSA-N 0 0 314.332 0.520 50 0 DCAARN CN(Cc1nc[nH]n1)S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000253416216 396027928 /nfs/dbraw/zinc/02/79/28/396027928.db2.gz AZDRVNDBEJDRNS-UHFFFAOYSA-N 0 0 322.390 0.744 50 0 DCAARN O=S(=O)([C@H]1CCCN(Cc2c[nH]cn2)C1)N1CCOCC1 ZINC000253425494 396028137 /nfs/dbraw/zinc/02/81/37/396028137.db2.gz OEIJSDBOWFPJTN-ZDUSSCGKSA-N 0 0 314.411 0.036 50 0 DCAARN COc1cc2c(cc1CN1CC[C@]([NH3+])(C(=O)[O-])C1)OCCCO2 ZINC000067588836 396028470 /nfs/dbraw/zinc/02/84/70/396028470.db2.gz IEAPTHGLXMAFSN-MRXNPFEDSA-N 0 0 322.361 0.844 50 0 DCAARN O=C(c1c[nH]nc1-n1cnnn1)N1CCC[C@@H]1c1ccccn1 ZINC000067587487 396028505 /nfs/dbraw/zinc/02/85/05/396028505.db2.gz GOJHAEKRKDPOLK-GFCCVEGCSA-N 0 0 310.321 0.758 50 0 DCAARN COCCOc1cc(C(=O)NCCCN2CCOCC2)ccn1 ZINC000253473633 396029313 /nfs/dbraw/zinc/02/93/13/396029313.db2.gz WVFBXONHTGRNNZ-UHFFFAOYSA-N 0 0 323.393 0.559 50 0 DCAARN Cn1cc(S(=O)(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)cn1 ZINC000253473682 396029550 /nfs/dbraw/zinc/02/95/50/396029550.db2.gz XCGZEZBVUKOUKH-USWWRNFRSA-N 0 0 301.368 0.035 50 0 DCAARN O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000253534920 396029554 /nfs/dbraw/zinc/02/95/54/396029554.db2.gz WKSXYYOZFGAFGX-JRKPZEMJSA-N 0 0 316.317 0.525 50 0 DCAARN Cn1ccnc1CN1CCC[C@@H](CCNS(C)(=O)=O)C1 ZINC000067673673 396030786 /nfs/dbraw/zinc/03/07/86/396030786.db2.gz HIJFBXQEOSOCOY-LBPRGKRZSA-N 0 0 300.428 0.571 50 0 DCAARN CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(C(C)(C)C)n[nH]1 ZINC000067713547 396031961 /nfs/dbraw/zinc/03/19/61/396031961.db2.gz XPFDYHOZHQYBIL-LLVKDONJSA-N 0 0 307.398 0.144 50 0 DCAARN CC(C)c1nccc(CN2CC[C@H](CNS(C)(=O)=O)C2)n1 ZINC000067770620 396033552 /nfs/dbraw/zinc/03/35/52/396033552.db2.gz JVAVOLMGGBGBNZ-GFCCVEGCSA-N 0 0 312.439 0.971 50 0 DCAARN CO[C@H]1C(=O)N(C(C)C)[C@H]1C1CCN(S(C)(=O)=O)CC1 ZINC000257188877 396035179 /nfs/dbraw/zinc/03/51/79/396035179.db2.gz GWKAFROROGQXFJ-NWDGAFQWSA-N 0 0 304.412 0.292 50 0 DCAARN Nc1n[nH]c(C(=O)NCC[C@@H]2CN(Cc3ccco3)CCO2)n1 ZINC000067869258 396037460 /nfs/dbraw/zinc/03/74/60/396037460.db2.gz UURXJDAURPPIQF-LLVKDONJSA-N 0 0 320.353 0.001 50 0 DCAARN Cc1ccc(C2(O)CCN(C(=O)CCn3cnnn3)CC2)nc1 ZINC000067908137 396039070 /nfs/dbraw/zinc/03/90/70/396039070.db2.gz BWAHAQCZUHCWRT-UHFFFAOYSA-N 0 0 316.365 0.277 50 0 DCAARN CCCc1nc(CN2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)no1 ZINC000257366191 396046939 /nfs/dbraw/zinc/04/69/39/396046939.db2.gz MNNRTRZWZZYFDQ-BONVTDFDSA-N 0 0 321.381 0.832 50 0 DCAARN c1cnnc(NC[C@H]2CN(CCOC[C@H]3CCCO3)CCO2)c1 ZINC000257366220 396046990 /nfs/dbraw/zinc/04/69/90/396046990.db2.gz OHKDCRGRVFWNIP-CABCVRRESA-N 0 0 322.409 0.785 50 0 DCAARN CC[C@@H](C)[C@H](CO)NC(=O)CCc1nnc2ccc(OC)nn21 ZINC000252489783 396020967 /nfs/dbraw/zinc/02/09/67/396020967.db2.gz KAJNERURVOJQCN-MNOVXSKESA-N 0 0 321.381 0.589 50 0 DCAARN CNC(=O)CCNc1ncnc2ccc(S(C)(=O)=O)cc21 ZINC000252501305 396021480 /nfs/dbraw/zinc/02/14/80/396021480.db2.gz UDRKHFULHJORDD-UHFFFAOYSA-N 0 0 308.363 0.581 50 0 DCAARN O=C(/C=C\c1ccco1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1 ZINC000252498053 396021579 /nfs/dbraw/zinc/02/15/79/396021579.db2.gz LVIZBKQVMYUBEC-HLMASZERSA-N 0 0 324.402 0.670 50 0 DCAARN CCOC(=O)c1cn(C[C@H](O)c2ccccc2)c(C(N)=O)n1 ZINC000252500701 396021842 /nfs/dbraw/zinc/02/18/42/396021842.db2.gz TUIKPWYMISKOMN-LBPRGKRZSA-N 0 0 303.318 0.892 50 0 DCAARN COC(=O)CC(C)(C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000252496747 396021847 /nfs/dbraw/zinc/02/18/47/396021847.db2.gz PQVFOYZMKZEZSS-SNVBAGLBSA-N 0 0 320.411 0.116 50 0 DCAARN Cc1nc(C2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)no1 ZINC000069704205 396087473 /nfs/dbraw/zinc/08/74/73/396087473.db2.gz APKRNZPKWUHTOZ-UHFFFAOYSA-N 0 0 318.385 0.591 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000069739963 396088767 /nfs/dbraw/zinc/08/87/67/396088767.db2.gz YNMACMMSYKYZQU-INIZCTEOSA-N 0 0 324.396 0.910 50 0 DCAARN C[C@@H](c1cccs1)N(C)C(=O)CN1CCN(CCO)CC1 ZINC000069772118 396089753 /nfs/dbraw/zinc/08/97/53/396089753.db2.gz TYFFQFRVRPNLSW-ZDUSSCGKSA-N 0 0 311.451 0.877 50 0 DCAARN O=C(CN1CCN(CCO)CC1)N(Cc1cccs1)C1CC1 ZINC000069773473 396090127 /nfs/dbraw/zinc/09/01/27/396090127.db2.gz HOMSCRNLLGYZBL-UHFFFAOYSA-N 0 0 323.462 0.849 50 0 DCAARN COCCN1CCN(CC(=O)NCc2ccccn2)C[C@@H]1C ZINC000069815860 396090802 /nfs/dbraw/zinc/09/08/02/396090802.db2.gz GIYPAJHDLUXDJV-AWEZNQCLSA-N 0 0 306.410 0.350 50 0 DCAARN Cc1noc(CN2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000069814725 396091018 /nfs/dbraw/zinc/09/10/18/396091018.db2.gz VYYWJKGHPNMJJL-UHFFFAOYSA-N 0 0 300.326 0.138 50 0 DCAARN CC(C)CCN1CC[C@@H](N2CCN(S(C)(=O)=O)CC2)C1=O ZINC000169757079 396091120 /nfs/dbraw/zinc/09/11/20/396091120.db2.gz QRVQAHNXPQHPHB-CYBMUJFWSA-N 0 0 317.455 0.211 50 0 DCAARN COC[C@](C)(NC(=O)CCc1cc(OC)ccc1OC)C(N)=O ZINC000069814444 396091233 /nfs/dbraw/zinc/09/12/33/396091233.db2.gz QUTRNYUXNDSCCG-INIZCTEOSA-N 0 0 324.377 0.643 50 0 DCAARN O=C(N[C@@H]1CCc2n[nH]c(=O)n2CC1)c1cc(C2CC2)n[nH]1 ZINC000169783450 396091641 /nfs/dbraw/zinc/09/16/41/396091641.db2.gz YXCWTFCBWBNOOL-SECBINFHSA-N 0 0 302.338 0.307 50 0 DCAARN CN1C(=O)c2cccn2C[C@@H]1CNS(=O)(=O)c1ccccc1 ZINC000169778814 396091802 /nfs/dbraw/zinc/09/18/02/396091802.db2.gz YEILPYATSOWNPB-LBPRGKRZSA-N 0 0 319.386 0.921 50 0 DCAARN Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@H]1Cn1cncn1 ZINC000069871355 396092887 /nfs/dbraw/zinc/09/28/87/396092887.db2.gz OJULUFOURULSEC-LBPRGKRZSA-N 0 0 303.370 0.721 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)CCCNc2ncccn2)CC1 ZINC000069895721 396093749 /nfs/dbraw/zinc/09/37/49/396093749.db2.gz YSKQGLWSVTYEHJ-CQSZACIVSA-N 0 0 321.425 0.584 50 0 DCAARN COCCN1CCN(CC(=O)NCc2sccc2C)CC1 ZINC000069952029 396096118 /nfs/dbraw/zinc/09/61/18/396096118.db2.gz YGEHTRLOXBMGFG-UHFFFAOYSA-N 0 0 311.451 0.937 50 0 DCAARN COCCN(CC(=O)OC)Cc1cccc(OCC(N)=O)c1 ZINC000069951835 396096606 /nfs/dbraw/zinc/09/66/06/396096606.db2.gz OVQYVEZJVGQPQX-UHFFFAOYSA-N 0 0 310.350 0.172 50 0 DCAARN CCN(CC)S(=O)(=O)CCNC(=O)c1ccc2[nH]cnc2c1 ZINC000070005632 396096859 /nfs/dbraw/zinc/09/68/59/396096859.db2.gz CSGPFFDFSRKYNV-UHFFFAOYSA-N 0 0 324.406 0.964 50 0 DCAARN O=C(NCc1ccc(F)cc1)C(=O)NCC1(O)CCOCC1 ZINC000070638997 396102758 /nfs/dbraw/zinc/10/27/58/396102758.db2.gz CIDAQSXXLRCAJW-UHFFFAOYSA-N 0 0 310.325 0.100 50 0 DCAARN Cc1nccc(-c2cccc(NC(=O)[C@H]3CNCC(=O)N3)c2)n1 ZINC000071774684 396114114 /nfs/dbraw/zinc/11/41/14/396114114.db2.gz VBOATOIKDJJGBQ-CQSZACIVSA-N 0 0 311.345 0.479 50 0 DCAARN CCCCN(CC(N)=O)C(=O)Cc1cnn(-c2ccccc2)n1 ZINC000071795589 396115504 /nfs/dbraw/zinc/11/55/04/396115504.db2.gz LDLRBZDZVDXLDT-UHFFFAOYSA-N 0 0 315.377 0.924 50 0 DCAARN C[C@@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000071812216 396116291 /nfs/dbraw/zinc/11/62/91/396116291.db2.gz WSWHRMDKKDPVNR-OCAPTIKFSA-N 0 0 304.393 0.645 50 0 DCAARN NC(=O)c1ccc(OCC(=O)N2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000071830315 396117631 /nfs/dbraw/zinc/11/76/31/396117631.db2.gz NLMNZXVTWLUTCB-KBPBESRZSA-N 0 0 304.346 0.944 50 0 DCAARN NC(=O)[C@H]1CN(C(=O)c2cnc(-c3ccco3)s2)CCO1 ZINC000171536292 396117827 /nfs/dbraw/zinc/11/78/27/396117827.db2.gz GJBJWIZYBUCXOQ-SECBINFHSA-N 0 0 307.331 0.729 50 0 DCAARN O=C([C@H]1CCCN(c2cnccn2)C1)N1CCNC(=O)CC1 ZINC000071839597 396117871 /nfs/dbraw/zinc/11/78/71/396117871.db2.gz RILAIJQQQNXZIZ-LBPRGKRZSA-N 0 0 303.366 0.042 50 0 DCAARN CS(=O)(=O)CCN1CCCN(C(=O)c2ccncc2)CC1 ZINC000071850373 396118929 /nfs/dbraw/zinc/11/89/29/396118929.db2.gz AOPKIGHJKWXKCX-UHFFFAOYSA-N 0 0 311.407 0.274 50 0 DCAARN COCCc1noc(CN2CCC[C@H](Cn3cncn3)C2)n1 ZINC000071875108 396120764 /nfs/dbraw/zinc/12/07/64/396120764.db2.gz IHMRGXLDXPBIQO-LBPRGKRZSA-N 0 0 306.370 0.762 50 0 DCAARN COCCc1noc(CN2CCCC[C@@H]2Cn2cncn2)n1 ZINC000071876464 396121908 /nfs/dbraw/zinc/12/19/08/396121908.db2.gz KRNLAHLLADRISS-GFCCVEGCSA-N 0 0 306.370 0.905 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)COc2ccccc2)CC1 ZINC000071881977 396122270 /nfs/dbraw/zinc/12/22/70/396122270.db2.gz PDHNKVVHCLPNHD-OAHLLOKOSA-N 0 0 322.405 0.607 50 0 DCAARN Cc1ccc(F)c(N2CCC[C@@H](NC(=O)Cn3cnnn3)C2)c1 ZINC000072287097 396129827 /nfs/dbraw/zinc/12/98/27/396129827.db2.gz YXHAOQPRONAYMF-GFCCVEGCSA-N 0 0 318.356 0.906 50 0 DCAARN O=C(C[C@H]1CCc2ccccc21)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000072290743 396129922 /nfs/dbraw/zinc/12/99/22/396129922.db2.gz LMYILKIKAJYZHT-PXAZEXFGSA-N 0 0 313.357 0.917 50 0 DCAARN CCn1ccnc1CN1CCN([C@@H]2CCN(C)C2=O)C[C@@H]1C ZINC000072286542 396129967 /nfs/dbraw/zinc/12/99/67/396129967.db2.gz NTOAFTNPEHEJRW-UONOGXRCSA-N 0 0 305.426 0.640 50 0 DCAARN Cc1nc([C@@H]2CCCN2C(=O)Cn2nc(C)ccc2=O)no1 ZINC000072299026 396130668 /nfs/dbraw/zinc/13/06/68/396130668.db2.gz IIPFALPRXHWJIL-NSHDSACASA-N 0 0 303.322 0.607 50 0 DCAARN O=C(CN1CCO[C@@H](Cn2cccn2)C1)Nc1cccnc1 ZINC000069376788 396076331 /nfs/dbraw/zinc/07/63/31/396076331.db2.gz FELXAFJLZFMSCY-CQSZACIVSA-N 0 0 301.350 0.618 50 0 DCAARN COCCN(C)CCNC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000069414085 396077301 /nfs/dbraw/zinc/07/73/01/396077301.db2.gz QKRXTAMBHIOIFE-UHFFFAOYSA-N 0 0 314.407 0.398 50 0 DCAARN CCc1noc([C@H](C)N2CCN(CCS(C)(=O)=O)CC2)n1 ZINC000069432081 396078028 /nfs/dbraw/zinc/07/80/28/396078028.db2.gz SAKHTUHMKOIHIZ-NSHDSACASA-N 0 0 316.427 0.355 50 0 DCAARN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](C)CC(=O)c1cccs1 ZINC000277629773 396078329 /nfs/dbraw/zinc/07/83/29/396078329.db2.gz BZOTUPPXEFXWAQ-ZMLRMANQSA-N 0 0 324.402 0.807 50 0 DCAARN CCc1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(CC3CC3)C1)C2 ZINC000069464604 396079401 /nfs/dbraw/zinc/07/94/01/396079401.db2.gz KBHKMVBGWLAAAP-LBPRGKRZSA-N 0 0 317.393 0.441 50 0 DCAARN C[C@@H](c1cccnc1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000069463697 396079582 /nfs/dbraw/zinc/07/95/82/396079582.db2.gz LIDWOOGVJBPJOE-HNNXBMFYSA-N 0 0 318.421 0.619 50 0 DCAARN CCOc1ccnc(N2CCN(C(=O)[C@@H]3CCOC3)CC2)n1 ZINC000069514057 396081090 /nfs/dbraw/zinc/08/10/90/396081090.db2.gz VTKASOUHPRSDLK-GFCCVEGCSA-N 0 0 306.366 0.560 50 0 DCAARN COc1c(CNCC(=O)NCc2ccccn2)c(C)nn1C ZINC000069531812 396081788 /nfs/dbraw/zinc/08/17/88/396081788.db2.gz OSDNRDLLFPKBBY-UHFFFAOYSA-N 0 0 303.366 0.538 50 0 DCAARN Cc1ccc(CC(=O)N2CCN([C@H]3CCOC3=O)CC2)cc1 ZINC000069602076 396084473 /nfs/dbraw/zinc/08/44/73/396084473.db2.gz LECQQLJPZCXUKL-HNNXBMFYSA-N 0 0 302.374 0.997 50 0 DCAARN Cc1nc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c(C)s1 ZINC000178802885 396209840 /nfs/dbraw/zinc/20/98/40/396209840.db2.gz QIUCUYURKFRVBK-LKFCYVNXSA-N 0 0 322.390 0.868 50 0 DCAARN COc1c([C@H]2CCCN2CC(=O)N2CCNC2=O)c(C)nn1C ZINC000075605323 396182491 /nfs/dbraw/zinc/18/24/91/396182491.db2.gz DYIHZTHHXHZIIS-LLVKDONJSA-N 0 0 321.381 0.426 50 0 DCAARN Cc1nnc([C@H]2CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)[nH]1 ZINC000076045665 396193145 /nfs/dbraw/zinc/19/31/45/396193145.db2.gz SORGCCZIRXDEAQ-GXFFZTMASA-N 0 0 317.349 0.876 50 0 DCAARN Cc1nnc([C@@H]2CN(CC(=O)NCc3ccco3)CCO2)[nH]1 ZINC000076048164 396193565 /nfs/dbraw/zinc/19/35/65/396193565.db2.gz JQRIYBGRVGTBQF-LBPRGKRZSA-N 0 0 305.338 0.396 50 0 DCAARN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1cn(C)cn1 ZINC000076050194 396193572 /nfs/dbraw/zinc/19/35/72/396193572.db2.gz HTXZJNYFQLXZKT-LBPRGKRZSA-N 0 0 309.395 0.778 50 0 DCAARN Cc1nc(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)no1 ZINC000076047796 396193745 /nfs/dbraw/zinc/19/37/45/396193745.db2.gz ZTDMMUFSJABJGE-ZDUSSCGKSA-N 0 0 308.382 0.981 50 0 DCAARN COCCO[C@H](C)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000076053606 396194619 /nfs/dbraw/zinc/19/46/19/396194619.db2.gz SNGMNZRTTCQJLC-MCIONIFRSA-N 0 0 300.399 0.217 50 0 DCAARN CNC(=O)[C@@H](NC(=O)c1cccc(-n2cccn2)n1)C(C)C ZINC000178696498 396204719 /nfs/dbraw/zinc/20/47/19/396204719.db2.gz WISAYBHRJDDZJD-ZDUSSCGKSA-N 0 0 301.350 0.768 50 0 DCAARN COc1ccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cn1 ZINC000078789493 396254785 /nfs/dbraw/zinc/25/47/85/396254785.db2.gz DKKCRAVFAZQSIE-KBPBESRZSA-N 0 0 305.378 0.761 50 0 DCAARN COCCn1cc(NC(=O)N2CC[S@](=O)C(C)(C)C2)cn1 ZINC000079076189 396260629 /nfs/dbraw/zinc/26/06/29/396260629.db2.gz AMJWQPNINVURJX-OAQYLSRUSA-N 0 0 314.411 0.904 50 0 DCAARN Cc1nn(C)c2nc(C)cc(C(=O)N3CCOC[C@@H](O)C3)c12 ZINC000077407280 396221034 /nfs/dbraw/zinc/22/10/34/396221034.db2.gz KHFKBTPOTAWDLA-NSHDSACASA-N 0 0 304.350 0.418 50 0 DCAARN CC(C)CN1CCN(S(=O)(=O)c2cn(C)cn2)[C@@H](C)C1=O ZINC000077407614 396221313 /nfs/dbraw/zinc/22/13/13/396221313.db2.gz AHVILGNSDWBFDP-NSHDSACASA-N 0 0 314.411 0.298 50 0 DCAARN C[C@H](C(=O)NCCc1nc2ccccc2[nH]1)N1CCN(C)CC1 ZINC000263662768 396221652 /nfs/dbraw/zinc/22/16/52/396221652.db2.gz IYWDCWZQSJMNGL-CYBMUJFWSA-N 0 0 315.421 0.858 50 0 DCAARN CN(Cc1cccc(-n2cccn2)c1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000077455943 396223030 /nfs/dbraw/zinc/22/30/30/396223030.db2.gz QKKVCXSOCVHWOK-CQSZACIVSA-N 0 0 313.361 0.854 50 0 DCAARN O=c1c2sccc2nc2n1[C@H]1CS(=O)(=O)C[C@H]1S2 ZINC000098212122 296530390 /nfs/dbraw/zinc/53/03/90/296530390.db2.gz OTKMRDUHEXIDPQ-NKWVEPMBSA-N 0 0 300.386 0.902 50 0 DCAARN NC(=O)CN1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000191898515 396427147 /nfs/dbraw/zinc/42/71/47/396427147.db2.gz UBTORQCNMRVVTJ-CQSZACIVSA-N 0 0 302.378 0.043 50 0 DCAARN O=S(=O)(c1ccoc1)N1CCC[C@@H]1CN1CCOCC1 ZINC000286142973 396376768 /nfs/dbraw/zinc/37/67/68/396376768.db2.gz WYBPXRPPEHUZRR-GFCCVEGCSA-N 0 0 300.380 0.765 50 0 DCAARN C[C@H](NC(=O)C(=O)N1CCCC1)c1nc(-c2ccncc2)no1 ZINC000584886385 396632418 /nfs/dbraw/zinc/63/24/18/396632418.db2.gz ORCAVFSTJAMVEK-JTQLQIEISA-N 0 0 315.333 0.931 50 0 DCAARN CN(CCN1CCOCC1)C(=O)COC[C@H]1CCCCO1 ZINC000584888070 396632976 /nfs/dbraw/zinc/63/29/76/396632976.db2.gz PDSURAFIDMLUIO-CQSZACIVSA-N 0 0 300.399 0.363 50 0 DCAARN COc1cccc(N2CCN(C(=O)c3cncn3C)CC2=O)c1 ZINC000584890287 396633526 /nfs/dbraw/zinc/63/35/26/396633526.db2.gz DNPXTDFGINOVRU-UHFFFAOYSA-N 0 0 314.345 0.918 50 0 DCAARN Cc1nc2c(c(=O)[nH]1)CN(C(=O)[C@@H]1CCCCn3nnnc31)C2 ZINC000584898130 396635603 /nfs/dbraw/zinc/63/56/03/396635603.db2.gz RZFYAESZSGSOLC-SECBINFHSA-N 0 0 315.337 0.287 50 0 DCAARN O=C(COc1ccccc1F)N[C@@H](CO)[C@H](O)c1cccnc1 ZINC000585134059 396640724 /nfs/dbraw/zinc/64/07/24/396640724.db2.gz BSXIKIOTQVUZNA-XJKSGUPXSA-N 0 0 320.320 0.810 50 0 DCAARN O=C(NCCn1cnccc1=O)Nc1ccc2c(c1)OCCO2 ZINC000585138649 396641473 /nfs/dbraw/zinc/64/14/73/396641473.db2.gz XRYAXUKUOBAIQW-UHFFFAOYSA-N 0 0 316.317 0.836 50 0 DCAARN NC(=O)[C@@]1(O)CCCN(C(=O)c2csc(C(F)(F)F)n2)C1 ZINC000375732969 396808259 /nfs/dbraw/zinc/80/82/59/396808259.db2.gz WNBSSJYWSVYDFG-SNVBAGLBSA-N 0 0 323.296 0.614 50 0 DCAARN CCOC(=O)CCC(=O)N1CC[C@H](Oc2ncc(F)cn2)C1 ZINC000390827139 397301055 /nfs/dbraw/zinc/30/10/55/397301055.db2.gz FBSLIBLWSDAPJW-NSHDSACASA-N 0 0 311.313 0.939 50 0 DCAARN COC(=O)CCCC(=O)NCCN1C(=O)c2cccnc2C1=O ZINC000390828654 397302717 /nfs/dbraw/zinc/30/27/17/397302717.db2.gz BNIOOCPEQUKQJS-UHFFFAOYSA-N 0 0 319.317 0.137 50 0 DCAARN Cc1cc(C)nc(O[C@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC000390827529 397303130 /nfs/dbraw/zinc/30/31/30/397303130.db2.gz HHYBXZTZPILSEM-NSHDSACASA-N 0 0 315.333 0.883 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2c([nH]c1=O)CCCC2 ZINC000408116006 397347516 /nfs/dbraw/zinc/34/75/16/397347516.db2.gz SKOMVUXLXXZZBR-JTQLQIEISA-N 0 0 310.375 0.583 50 0 DCAARN CO[C@]12CCN(C(=O)CCc3cnn(C)c3)[C@H]1C[C@H](O)CC2 ZINC000299786266 286174688 /nfs/dbraw/zinc/17/46/88/286174688.db2.gz PVRGFINAYMVOJV-IJEWVQPXSA-N 0 0 307.394 0.884 50 0 DCAARN NC(=O)CN1CCC(Nc2cc(N3CCCCC3)ncn2)CC1 ZINC000105786753 158130475 /nfs/dbraw/zinc/13/04/75/158130475.db2.gz OEXLQMBJGLVEDO-UHFFFAOYSA-N 0 0 318.425 0.829 50 0 DCAARN COCCN(C(=O)c1cncc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000128684068 158282782 /nfs/dbraw/zinc/28/27/82/158282782.db2.gz LQLYMJGHAUWLPG-GFCCVEGCSA-N 0 0 316.354 0.496 50 0 DCAARN CN(CC(=O)N1CCOCC1)c1nnc(-c2ccon2)s1 ZINC000328697358 159022287 /nfs/dbraw/zinc/02/22/87/159022287.db2.gz LHHBELMBZWULNE-UHFFFAOYSA-N 0 0 309.351 0.488 50 0 DCAARN Cn1nccc1COCC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330477806 159179822 /nfs/dbraw/zinc/17/98/22/159179822.db2.gz WVKGKAMGNDYVJV-LBPRGKRZSA-N 0 0 321.299 0.853 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cn1 ZINC000330510095 159183613 /nfs/dbraw/zinc/18/36/13/159183613.db2.gz APGRWNNUAKBXOW-JTQLQIEISA-N 0 0 321.381 0.215 50 0 DCAARN C[C@@H](NC(=O)c1cccnc1N1CCOCC1)c1nc[nH]n1 ZINC000267057925 287002290 /nfs/dbraw/zinc/00/22/90/287002290.db2.gz GGMLTZCEANGKME-SNVBAGLBSA-N 0 0 302.338 0.527 50 0 DCAARN CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)C(=O)OC)cc1 ZINC000181042720 287056265 /nfs/dbraw/zinc/05/62/65/287056265.db2.gz PSBJUSMRMAQOQD-ZJUUUORDSA-N 0 0 300.380 0.807 50 0 DCAARN COCCN1CCCN(S(=O)(=O)CC(C)(C)C)CC1=O ZINC000242273699 292528567 /nfs/dbraw/zinc/52/85/67/292528567.db2.gz YFBYSIGRFHOAQH-UHFFFAOYSA-N 0 0 306.428 0.543 50 0 DCAARN COCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(C)cc1 ZINC000096181496 292556263 /nfs/dbraw/zinc/55/62/63/292556263.db2.gz HGYPQANGMMRGMJ-GJZGRUSLSA-N 0 0 306.362 0.656 50 0 DCAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CSCN1 ZINC000133947777 196349011 /nfs/dbraw/zinc/34/90/11/196349011.db2.gz VSWMBSIKHXFDCH-GFCCVEGCSA-N 0 0 318.402 0.934 50 0 DCAARN COc1cccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@H]3C2=O)c1 ZINC000018054881 415152178 /nfs/dbraw/zinc/15/21/78/415152178.db2.gz IGKRMRJBZRFISX-MPZDIEGVSA-N 0 0 314.297 0.278 50 0 DCAARN COc1ccc(OC)c2c1CN(CCC(=O)NC(N)=O)C[C@H]2O ZINC000026159325 415164513 /nfs/dbraw/zinc/16/45/13/415164513.db2.gz HVLSGBJUTCNYHI-SNVBAGLBSA-N 0 0 323.349 0.138 50 0 DCAARN CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCC(=O)OCc1ccccc1 ZINC000025398480 415161407 /nfs/dbraw/zinc/16/14/07/415161407.db2.gz AXRTXSLLBAMENN-BXUZGUMPSA-N 0 0 321.377 0.929 50 0 DCAARN CNS(=O)(=O)c1ccc(CCC(=O)Nc2cnn(C)c2)cc1 ZINC000025306289 415161889 /nfs/dbraw/zinc/16/18/89/415161889.db2.gz RKNOIVLAAWZCSC-UHFFFAOYSA-N 0 0 322.390 0.900 50 0 DCAARN S=C(NC[C@H]1CCCO1)N1CCN(c2ncccn2)CC1 ZINC000000621628 415124180 /nfs/dbraw/zinc/12/41/80/415124180.db2.gz IZJHFIRKLPLDAY-GFCCVEGCSA-N 0 0 307.423 0.652 50 0 DCAARN CC(C)(C)NC(=O)NC(=O)CN1CCN(c2ccccn2)CC1 ZINC000005855842 415132416 /nfs/dbraw/zinc/13/24/16/415132416.db2.gz VJMXVBZKBLQFJJ-UHFFFAOYSA-N 0 0 319.409 0.828 50 0 DCAARN CC(=O)O[C@@H]1[C@@H]([C@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]12 ZINC000005900335 415133146 /nfs/dbraw/zinc/13/31/46/415133146.db2.gz QZKDRLZSJSWQPS-JCIQBVFBSA-N 0 0 302.323 0.946 50 0 DCAARN CC(C)Cn1nc(C(=O)OCC(N)=O)c2ccccc2c1=O ZINC000007245783 415137089 /nfs/dbraw/zinc/13/70/89/415137089.db2.gz MHPLDQMLSRJJPJ-UHFFFAOYSA-N 0 0 303.318 0.695 50 0 DCAARN Cc1ccccc1OCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000006972404 415137862 /nfs/dbraw/zinc/13/78/62/415137862.db2.gz YXCVCWXWQSHLKP-UHFFFAOYSA-N 0 0 314.345 0.821 50 0 DCAARN CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000008783052 415144521 /nfs/dbraw/zinc/14/45/21/415144521.db2.gz VYTMGPOUXQSDID-UHFFFAOYSA-N 0 0 312.347 0.063 50 0 DCAARN CNC(=O)C(=O)NCC(=O)NCCCSc1ccccc1 ZINC000008735241 415146677 /nfs/dbraw/zinc/14/66/77/415146677.db2.gz FTUXMEJHYODHKD-UHFFFAOYSA-N 0 0 309.391 0.147 50 0 DCAARN CC(C)[C@H](Sc1nnnn1C(C)(C)C)C(=O)NC(N)=O ZINC000016290703 415147611 /nfs/dbraw/zinc/14/76/11/415147611.db2.gz WZYALWIEYFKJPX-ZETCQYMHSA-N 0 0 300.388 0.740 50 0 DCAARN CCCN(CC(=O)NC(=O)NC)C[C@@H]1COc2ccccc2O1 ZINC000026663658 415166853 /nfs/dbraw/zinc/16/68/53/415166853.db2.gz MJRYTOQNTDJLSD-GFCCVEGCSA-N 0 0 321.377 0.994 50 0 DCAARN CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)cc1 ZINC000027570922 415173437 /nfs/dbraw/zinc/17/34/37/415173437.db2.gz AIWPVRYWQGFZKJ-AWEZNQCLSA-N 0 0 317.345 0.609 50 0 DCAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCC1CC1 ZINC000027463003 415174916 /nfs/dbraw/zinc/17/49/16/415174916.db2.gz VDVQKPLYEZEQQN-QGZVFWFLSA-N 0 0 313.357 0.906 50 0 DCAARN COCCCNC(=O)c1ccccc1CN1C(=O)CNC1=O ZINC000027689861 415175026 /nfs/dbraw/zinc/17/50/26/415175026.db2.gz SMCAUWDCBHJEKG-UHFFFAOYSA-N 0 0 305.334 0.505 50 0 DCAARN COc1nn(C)cc1C(=O)Nc1nn(C)c2c1[C@@H](C)CC(=O)N2 ZINC000044213437 415219305 /nfs/dbraw/zinc/21/93/05/415219305.db2.gz UMJNPDYDVASXAH-ZETCQYMHSA-N 0 0 318.337 0.860 50 0 DCAARN Cc1cccc2nc(CN3CCN(S(C)(=O)=O)CC3)cn21 ZINC000044908332 415232501 /nfs/dbraw/zinc/23/25/01/415232501.db2.gz MIFNMIPNVGIEED-UHFFFAOYSA-N 0 0 308.407 0.720 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cn(Cc2ccccc2)nn1 ZINC000044896352 415232737 /nfs/dbraw/zinc/23/27/37/415232737.db2.gz OLQGDVFASWWDAH-GFCCVEGCSA-N 0 0 320.374 0.243 50 0 DCAARN O=C(COCCOc1ccccc1)NCC(=O)N1CCCC1 ZINC000044939621 415233548 /nfs/dbraw/zinc/23/35/48/415233548.db2.gz NWIFIOARNUUOTQ-UHFFFAOYSA-N 0 0 306.362 0.821 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000044934102 415234780 /nfs/dbraw/zinc/23/47/80/415234780.db2.gz NIXRNUJLQQUWJU-NXEZZACHSA-N 0 0 318.299 0.799 50 0 DCAARN Cc1noc(CS(=O)(=O)CC(=O)N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000044938351 415236760 /nfs/dbraw/zinc/23/67/60/415236760.db2.gz BKMCXGNEBNCFLP-NXEZZACHSA-N 0 0 315.395 0.797 50 0 DCAARN Cc1ccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cn1 ZINC000044954880 415238183 /nfs/dbraw/zinc/23/81/83/415238183.db2.gz ZRSJJWNBSKMFFI-UHFFFAOYSA-N 0 0 311.407 0.678 50 0 DCAARN Cn1ncc2c1CCC[C@@H]2NC(=O)NCCNc1cnccn1 ZINC000044971231 415240193 /nfs/dbraw/zinc/24/01/93/415240193.db2.gz JTMJWAPUKJHCPI-LBPRGKRZSA-N 0 0 315.381 0.999 50 0 DCAARN CCCn1nc(C(=O)NCCN2C(=O)CSC2=O)ccc1=O ZINC000044972595 415240609 /nfs/dbraw/zinc/24/06/09/415240609.db2.gz DAJNXGCIAGSXAW-UHFFFAOYSA-N 0 0 324.362 0.079 50 0 DCAARN CS(=O)(=O)N1CCCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000045336213 415247851 /nfs/dbraw/zinc/24/78/51/415247851.db2.gz KOURAZKIGQYLJH-UHFFFAOYSA-N 0 0 312.395 0.395 50 0 DCAARN C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(N)=O)C1=O ZINC000047357882 415271928 /nfs/dbraw/zinc/27/19/28/415271928.db2.gz HCWGPLLWSZCGGX-GFCCVEGCSA-N 0 0 315.251 0.958 50 0 DCAARN Cc1nc2ccc(Cl)cc2cc1C(=O)NC(C(N)=O)C(N)=O ZINC000044389513 415221043 /nfs/dbraw/zinc/22/10/43/415221043.db2.gz XWQFRWVBZFDVOJ-UHFFFAOYSA-N 0 0 320.736 0.266 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000044386882 415222098 /nfs/dbraw/zinc/22/20/98/415222098.db2.gz LFBQMPAYLFXLQH-GFCCVEGCSA-N 0 0 314.411 0.050 50 0 DCAARN Cn1ccc(C(=O)NCc2ccc(-n3cccn3)nc2)cc1=O ZINC000044611956 415224853 /nfs/dbraw/zinc/22/48/53/415224853.db2.gz KTRQCVVEJUEHCA-UHFFFAOYSA-N 0 0 309.329 0.896 50 0 DCAARN CN(C(=O)[C@H]1Cc2ccccc2C(=O)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000044891687 415228635 /nfs/dbraw/zinc/22/86/35/415228635.db2.gz JOWCZJYKRAEFGS-DGCLKSJQSA-N 0 0 323.370 0.414 50 0 DCAARN COC(=O)C[C@H](NC(=O)Cn1cnnn1)c1ccccc1Cl ZINC000044889132 415229232 /nfs/dbraw/zinc/22/92/32/415229232.db2.gz HWSMVEIFZMQPGJ-NSHDSACASA-N 0 0 323.740 0.747 50 0 DCAARN O=C(CN1CCN(c2nccs2)CC1)NC[C@H]1CCCO1 ZINC000044894410 415229935 /nfs/dbraw/zinc/22/99/35/415229935.db2.gz ZWTJACZWKNUOCP-GFCCVEGCSA-N 0 0 310.423 0.560 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000044913632 415230558 /nfs/dbraw/zinc/23/05/58/415230558.db2.gz XVBSAGNUDZNUSD-JTQLQIEISA-N 0 0 318.299 0.789 50 0 DCAARN Cc1ccc(OCCN(C)S(=O)(=O)N2CCOCC2)cc1 ZINC000044896218 415231885 /nfs/dbraw/zinc/23/18/85/415231885.db2.gz BLTVPRBBTLGGMV-UHFFFAOYSA-N 0 0 314.407 0.883 50 0 DCAARN CCOC(=O)CC1=CC(=O)N(CC(N)=O)c2ccccc2N1 ZINC000064661155 415353031 /nfs/dbraw/zinc/35/30/31/415353031.db2.gz TUSDIJRDVOXQCF-UHFFFAOYSA-N 0 0 303.318 0.768 50 0 DCAARN O=C(N1CCCCC1)N1CCN(c2cncc3nnnn32)CC1 ZINC000048354988 415292434 /nfs/dbraw/zinc/29/24/34/415292434.db2.gz QKHBRIAZHLMVCM-UHFFFAOYSA-N 0 0 316.369 0.247 50 0 DCAARN C[C@@H](Cc1ccco1)NC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000048853098 415302268 /nfs/dbraw/zinc/30/22/68/415302268.db2.gz IARGFUCQMZSLDM-QWRGUYRKSA-N 0 0 300.380 0.945 50 0 DCAARN CCS(=O)(=O)NCCS(=O)(=O)Nc1ccc(C)c(F)c1 ZINC000049335162 415305096 /nfs/dbraw/zinc/30/50/96/415305096.db2.gz OTAOUMOXYDBBTM-UHFFFAOYSA-N 0 0 324.399 0.815 50 0 DCAARN CC(C)CCS(=O)(=O)CC(=O)N1CCC(CC(N)=O)CC1 ZINC000049393822 415307294 /nfs/dbraw/zinc/30/72/94/415307294.db2.gz REOOXOGPNFOROJ-UHFFFAOYSA-N 0 0 318.439 0.561 50 0 DCAARN CCc1ccc(OCC(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000058264612 415341118 /nfs/dbraw/zinc/34/11/18/415341118.db2.gz TVBNZJBDEFPCTN-ZDUSSCGKSA-N 0 0 320.389 0.991 50 0 DCAARN CC(C)(C)OC(=O)NC(C)(C)C(=O)NCC(C)(C)C(N)=O ZINC000067202184 415374407 /nfs/dbraw/zinc/37/44/07/415374407.db2.gz NBFRXNPYPLYDMS-UHFFFAOYSA-N 0 0 301.387 0.917 50 0 DCAARN COCC(=O)NCCNc1cc(-n2nc(C)cc2C)ncn1 ZINC000067622172 415379804 /nfs/dbraw/zinc/37/98/04/415379804.db2.gz WXNQZHUDUMUNMW-UHFFFAOYSA-N 0 0 304.354 0.454 50 0 DCAARN CC(C)c1csc(C(=O)N2CCC3(CC2)NCCNC3=O)n1 ZINC000067674176 415380381 /nfs/dbraw/zinc/38/03/81/415380381.db2.gz QLVIAOWLRWEBSA-UHFFFAOYSA-N 0 0 322.434 0.961 50 0 DCAARN CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCCc1nnc(N)s1)C(=O)O2 ZINC000067654188 415380795 /nfs/dbraw/zinc/38/07/95/415380795.db2.gz YHYSFDQXFMSRSY-KGLIPLIRSA-N 0 0 324.406 0.901 50 0 DCAARN CCn1ncnc1[C@H](C)NC(=O)c1nnc2nc(C)cc(C)n21 ZINC000067741867 415386137 /nfs/dbraw/zinc/38/61/37/415386137.db2.gz WGPUUWMJUKYPHW-JTQLQIEISA-N 0 0 314.353 0.844 50 0 DCAARN O=C(CCN1CCn2c(nnc2C2CC2)C1)N1CCOCC1 ZINC000084136963 415492148 /nfs/dbraw/zinc/49/21/48/415492148.db2.gz DUTXCJVWYHADRC-UHFFFAOYSA-N 0 0 305.382 0.220 50 0 DCAARN Cn1cnnc1CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000075123251 415436264 /nfs/dbraw/zinc/43/62/64/415436264.db2.gz VBWVKVZWXLOTGE-UHFFFAOYSA-N 0 0 316.243 0.844 50 0 DCAARN O=C(NCCN1CCOCC1)c1ccc(-c2ccco2)[nH]c1=O ZINC000075125211 415437985 /nfs/dbraw/zinc/43/79/85/415437985.db2.gz ZBFNARUTZRNMBW-UHFFFAOYSA-N 0 0 317.345 0.697 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)c2cc(=O)[nH]c3ccccc32)CC1 ZINC000075602819 415447395 /nfs/dbraw/zinc/44/73/95/415447395.db2.gz ZNZPGXWQBHUZFC-GFCCVEGCSA-N 0 0 315.373 0.667 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)c2c[nH]nc2-c2ccncc2)CC1 ZINC000075604478 415453438 /nfs/dbraw/zinc/45/34/38/415453438.db2.gz JOWVWGWAPAJXJW-LBPRGKRZSA-N 0 0 315.377 0.610 50 0 DCAARN C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000333085950 415553519 /nfs/dbraw/zinc/55/35/19/415553519.db2.gz NCJZSQPUBRFZDK-VOAKCMCISA-N 0 0 318.439 0.636 50 0 DCAARN Cc1[nH+]c(N)nc(N[C@H](C)Cn2cncn2)c1CCC(=O)[O-] ZINC000095364114 415553615 /nfs/dbraw/zinc/55/36/15/415553615.db2.gz FVACBDILTAHVMD-MRVPVSSYSA-N 0 0 305.342 0.477 50 0 DCAARN O=C(Cn1ncc(N2CCCCC2)cc1=O)NC[C@@H]1CCCO1 ZINC000095369049 415554168 /nfs/dbraw/zinc/55/41/68/415554168.db2.gz CJLHMXGGTNRYPI-AWEZNQCLSA-N 0 0 320.393 0.529 50 0 DCAARN COCCN1CCC[C@@]2(CCN(c3cc(=O)[nH]cn3)C2)C1=O ZINC000095378610 415556154 /nfs/dbraw/zinc/55/61/54/415556154.db2.gz MPMRGLFKKSFQHY-HNNXBMFYSA-N 0 0 306.366 0.235 50 0 DCAARN CN(C)[C@H](C(=O)NCc1cc(=O)[nH]cn1)c1cccc(F)c1 ZINC000095384102 415557343 /nfs/dbraw/zinc/55/73/43/415557343.db2.gz LBGNPDFYYOWNDE-AWEZNQCLSA-N 0 0 304.325 0.828 50 0 DCAARN CCn1cnnc1CN1CC[C@@]2(C1)CCCN(CCOC)C2=O ZINC000095375686 415559789 /nfs/dbraw/zinc/55/97/89/415559789.db2.gz JJSSEFCWHQQMOH-MRXNPFEDSA-N 0 0 321.425 0.759 50 0 DCAARN Cc1noc(C)c1CN(C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000095949344 415563353 /nfs/dbraw/zinc/56/33/53/415563353.db2.gz PYKVLNRFQMLIRF-GFCCVEGCSA-N 0 0 308.382 0.447 50 0 DCAARN O=C(NCCN1CCOCC1)NC[C@H]1COC2(CCCC2)O1 ZINC000095983778 415568134 /nfs/dbraw/zinc/56/81/34/415568134.db2.gz LJFDRVHBDWOQRK-ZDUSSCGKSA-N 0 0 313.398 0.304 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)[C@@H]2CCCOC2)on1 ZINC000096001609 415568655 /nfs/dbraw/zinc/56/86/55/415568655.db2.gz CTZGAWNTDUOZNW-NXEZZACHSA-N 0 0 302.352 0.904 50 0 DCAARN CN1CCO[C@H](C(=O)Nc2ccc([S@](C)=O)c(F)c2)C1 ZINC000095979416 415569781 /nfs/dbraw/zinc/56/97/81/415569781.db2.gz ATHNXGZAMGIPRW-PRWKNARSSA-N 0 0 300.355 0.832 50 0 DCAARN Cc1cccc(NC(=O)CN2NN=C3C(=O)NC(=O)[C@@H]32)c1C ZINC000102906776 415603482 /nfs/dbraw/zinc/60/34/82/415603482.db2.gz YMQJXZKOIKIOOX-NWDGAFQWSA-N 0 0 301.306 0.318 50 0 DCAARN CCN(C(=O)c1cc(OC)cc(OC)c1)[C@H]1CC(=O)NC1=O ZINC000103386354 415618496 /nfs/dbraw/zinc/61/84/96/415618496.db2.gz SUOJKETUHXMCEN-LBPRGKRZSA-N 0 0 306.318 0.581 50 0 DCAARN O=S1(=O)CC[C@@H](N(CCO)CC2=Cc3ccccc3OC2)C1 ZINC000097032509 415581384 /nfs/dbraw/zinc/58/13/84/415581384.db2.gz RXJZQQZMCVKELP-OAHLLOKOSA-N 0 0 323.414 0.944 50 0 DCAARN C[C@@H](OC(=O)c1ccc(N2CC=CC2)cc1)C(=O)NC(N)=O ZINC000101265524 415593893 /nfs/dbraw/zinc/59/38/93/415593893.db2.gz BXSKLPAKEMTVSZ-SNVBAGLBSA-N 0 0 303.318 0.803 50 0 DCAARN CC(C)CNC(=O)COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000102140456 415597162 /nfs/dbraw/zinc/59/71/62/415597162.db2.gz LPJVIYZOTADVHY-VXGBXAGGSA-N 0 0 324.377 0.477 50 0 DCAARN Cc1nnc([C@@H]2CN(C[C@@H](O)COCc3ccco3)CCO2)[nH]1 ZINC000107057159 415661033 /nfs/dbraw/zinc/66/10/33/415661033.db2.gz LAUULORXDFXSFE-OCCSQVGLSA-N 0 0 322.365 0.657 50 0 DCAARN O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC[C@@H]([C@@H]2NC(=O)NC2=O)C1 ZINC000108483446 415679610 /nfs/dbraw/zinc/67/96/10/415679610.db2.gz SLLOCYNFMWZMAW-XZUYRWCXSA-N 0 0 317.345 0.830 50 0 DCAARN COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2c[nH]cc(C)c2=O)C1 ZINC000334103829 415808483 /nfs/dbraw/zinc/80/84/83/415808483.db2.gz PIUMGEFVIHIRII-QWHCGFSZSA-N 0 0 324.377 0.169 50 0 DCAARN Cc1ccc(C)c(CC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000299759259 416064247 /nfs/dbraw/zinc/06/42/47/416064247.db2.gz DWOREYLKSZBZRG-CYBMUJFWSA-N 0 0 310.419 0.983 50 0 DCAARN COCC(=O)N1CC[C@@H](Nc2cc(C3CC3)ncn2)[C@H](O)C1 ZINC000299755763 416064391 /nfs/dbraw/zinc/06/43/91/416064391.db2.gz CPRLCWWCDFSBFK-DGCLKSJQSA-N 0 0 306.366 0.374 50 0 DCAARN Cn1cnnc1CCC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000299756022 416064995 /nfs/dbraw/zinc/06/49/95/416064995.db2.gz AMOFOQNLSAGWKB-LLVKDONJSA-N 0 0 302.334 0.704 50 0 DCAARN CN1CC(=O)N(c2cccc(NC(=O)N[C@@H]3CCOC3)c2)C1=O ZINC000299775006 416065782 /nfs/dbraw/zinc/06/57/82/416065782.db2.gz JKRPDQQMYNGEAW-LLVKDONJSA-N 0 0 318.333 0.995 50 0 DCAARN CCCc1nnsc1C(=O)N1CCN(c2nc[nH]n2)CC1 ZINC000299782722 416067473 /nfs/dbraw/zinc/06/74/73/416067473.db2.gz QFBVXBIBCAUDIY-UHFFFAOYSA-N 0 0 307.383 0.571 50 0 DCAARN Cc1cc(C(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)nc(C)n1 ZINC000299786498 416068601 /nfs/dbraw/zinc/06/86/01/416068601.db2.gz MILBZAIEPMOCMU-KBPBESRZSA-N 0 0 314.349 0.671 50 0 DCAARN CN1C(=O)C[C@@H](C(=O)NCCCc2nnc(N)s2)C1(C)C ZINC000299791227 416069451 /nfs/dbraw/zinc/06/94/51/416069451.db2.gz CQGVCJMNLWFIPP-QMMMGPOBSA-N 0 0 311.411 0.426 50 0 DCAARN Cc1ccn(CCC(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n1 ZINC000299798692 416070868 /nfs/dbraw/zinc/07/08/68/416070868.db2.gz UFBMSQYCDNEUKB-UONOGXRCSA-N 0 0 316.365 0.546 50 0 DCAARN CCc1csc(CCNC(=O)[C@H]2CCC(=O)NC(=O)N2)n1 ZINC000299800608 416071464 /nfs/dbraw/zinc/07/14/64/416071464.db2.gz HQSFAONJHXACJP-SECBINFHSA-N 0 0 310.379 0.352 50 0 DCAARN O=C(NCc1ccc(-c2ncon2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000299799366 416071979 /nfs/dbraw/zinc/07/19/79/416071979.db2.gz RDGOBQKUOQMENB-LBPRGKRZSA-N 0 0 321.358 0.788 50 0 DCAARN COCn1nc(C)c(S(=O)(=O)NCc2cccnc2)c1C ZINC000170596400 416027795 /nfs/dbraw/zinc/02/77/95/416027795.db2.gz BLWJDFVZQNZOEZ-UHFFFAOYSA-N 0 0 310.379 0.977 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2CCOC2)cc1 ZINC000175059522 416096227 /nfs/dbraw/zinc/09/62/27/416096227.db2.gz UFWQDRSQMDCKJW-LLVKDONJSA-N 0 0 312.391 0.703 50 0 DCAARN c1nnc2n1CCN(c1nccc(N[C@@H]3CCCOC3)n1)C2 ZINC000328635583 416125003 /nfs/dbraw/zinc/12/50/03/416125003.db2.gz NLOAJHHHSZJNEC-LLVKDONJSA-N 0 0 301.354 0.679 50 0 DCAARN CCOCCN1CCN([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC000247130965 416332477 /nfs/dbraw/zinc/33/24/77/416332477.db2.gz KJXCXLCFZDPXLE-ZIAGYGMSSA-N 0 0 321.425 0.846 50 0 DCAARN COC(=O)c1ccc(N2CCN([C@H](C)C(N)=O)[C@@H](C)C2)cc1 ZINC000252467598 416334577 /nfs/dbraw/zinc/33/45/77/416334577.db2.gz UZNMTEMCPVSMNC-NWDGAFQWSA-N 0 0 305.378 0.858 50 0 DCAARN Cc1ccc(-c2nn3ccn(CC(N)=O)c(=O)c3c2CO)cc1 ZINC000263616747 416338446 /nfs/dbraw/zinc/33/84/46/416338446.db2.gz KIEGSDMPOOITOU-UHFFFAOYSA-N 0 0 312.329 0.449 50 0 DCAARN C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(SCCO)cc2)C1 ZINC000215038304 416326939 /nfs/dbraw/zinc/32/69/39/416326939.db2.gz LRKAERLMWYHYET-KGLIPLIRSA-N 0 0 324.446 0.908 50 0 DCAARN CN(CCn1cccn1)C(=O)c1ccc2c(c1)ncn(C)c2=O ZINC000215056035 416327125 /nfs/dbraw/zinc/32/71/25/416327125.db2.gz VSISADPDZHAGIH-UHFFFAOYSA-N 0 0 311.345 0.902 50 0 DCAARN Cc1nc(N)ncc1C(=O)NCCc1nnc(-c2cccnc2)[nH]1 ZINC000215162387 416327241 /nfs/dbraw/zinc/32/72/41/416327241.db2.gz OYPWWBLLCQEAIM-UHFFFAOYSA-N 0 0 324.348 0.520 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](Oc2cncc(OC)n2)C1 ZINC000225501415 416327759 /nfs/dbraw/zinc/32/77/59/416327759.db2.gz OMXAYCTVSBZAET-SNVBAGLBSA-N 0 0 301.368 0.678 50 0 DCAARN COCCc1noc([C@H]2CCCCN2CCn2cc[nH]c2=O)n1 ZINC000243892570 416330464 /nfs/dbraw/zinc/33/04/64/416330464.db2.gz AIZZSVBFMVMCQH-GFCCVEGCSA-N 0 0 321.381 0.976 50 0 DCAARN C[C@H](C(=O)NCc1ccccc1)N(CCO)Cc1nccn1C ZINC000244605526 416330478 /nfs/dbraw/zinc/33/04/78/416330478.db2.gz FADFWDQOAQLOJK-CQSZACIVSA-N 0 0 316.405 0.919 50 0 DCAARN O=C(N[C@H]1CC[C@@H](CO)CC1)c1cc(N2CCOCC2)ncn1 ZINC000585131760 416519779 /nfs/dbraw/zinc/51/97/79/416519779.db2.gz FQKFTABMQAXZOM-BETUJISGSA-N 0 0 320.393 0.594 50 0 DCAARN Cc1c(C(=O)N[C@H](C)c2nc(N)n[nH]2)sc2[nH]cnc(=O)c12 ZINC000426372512 416761822 /nfs/dbraw/zinc/76/18/22/416761822.db2.gz UBHGDNNWNPCMOK-RXMQYKEDSA-N 0 0 319.350 0.484 50 0 DCAARN COCCN1CCN(c2cc([C@H]3CCOC3)nc(N)n2)CC1 ZINC000426551397 416774790 /nfs/dbraw/zinc/77/47/90/416774790.db2.gz XFQDEXWNWRITMN-LBPRGKRZSA-N 0 0 307.398 0.331 50 0 DCAARN Cc1cnn(CCC(=O)N2CCC(c3nc(N)n[nH]3)CC2)c1 ZINC000426712639 416781465 /nfs/dbraw/zinc/78/14/65/416781465.db2.gz LWRSHRNPDQFHPM-UHFFFAOYSA-N 0 0 303.370 0.688 50 0 DCAARN COc1nc(CNC(=O)Cc2c(C)noc2C)nc(OC)n1 ZINC000575604294 417538853 /nfs/dbraw/zinc/53/88/53/417538853.db2.gz VYMOHCQTNAWHCN-UHFFFAOYSA-N 0 0 307.310 0.353 50 0 DCAARN O=C(Nc1cccnc1)C1CN(c2cc(-n3cncn3)ncn2)C1 ZINC000575607088 417539705 /nfs/dbraw/zinc/53/97/05/417539705.db2.gz AHUSKKFJIGMSSV-UHFFFAOYSA-N 0 0 322.332 0.527 50 0 DCAARN COCC(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1 ZINC000575606077 417539835 /nfs/dbraw/zinc/53/98/35/417539835.db2.gz AOTCLSHVAGTPAG-UHFFFAOYSA-N 0 0 322.287 0.411 50 0 DCAARN COCCOC1CCN(C(=O)C(C)(C)n2cc(N)cn2)CC1 ZINC000662593188 417815721 /nfs/dbraw/zinc/81/57/21/417815721.db2.gz MCMJXUABRARWBI-UHFFFAOYSA-N 0 0 310.398 0.854 50 0 DCAARN C[C@H]1CCCN(S(=O)(=O)N2CC[S@@](=O)C(C)(C)C2)C1 ZINC000195537948 299847823 /nfs/dbraw/zinc/84/78/23/299847823.db2.gz JLFMOXVMVIMJGU-BBATYDOGSA-N 0 0 308.469 0.806 50 0 DCAARN C[C@H]1CCCN(S(=O)(=O)N2CC[S@@](=O)C(C)(C)C2)C1 ZINC000096461884 299847993 /nfs/dbraw/zinc/84/79/93/299847993.db2.gz JLFMOXVMVIMJGU-VOJFVSQTSA-N 0 0 308.469 0.806 50 0 DCAARN CCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)[nH]c(=O)n2C ZINC000012517954 276057640 /nfs/dbraw/zinc/05/76/40/276057640.db2.gz NJCIOHBPBFNWKJ-UHFFFAOYSA-N 0 0 316.365 0.944 50 0 DCAARN CCN1C[C@@H](C(=O)NCc2cccnc2-n2cccn2)CC1=O ZINC000048168477 276406361 /nfs/dbraw/zinc/40/63/61/276406361.db2.gz SITYUCQWNSSBSQ-ZDUSSCGKSA-N 0 0 313.361 0.752 50 0 DCAARN CC[C@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1N1CCOCC1 ZINC000084735844 276657006 /nfs/dbraw/zinc/65/70/06/276657006.db2.gz CATPGLWVRHPARB-KBPBESRZSA-N 0 0 307.398 0.237 50 0 DCAARN COc1ccc(OC)c(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032831614 277423504 /nfs/dbraw/zinc/42/35/04/277423504.db2.gz VEMOZJYXQZXSFF-SKDRFNHKSA-N 0 0 311.359 0.854 50 0 DCAARN COc1ccc2c(c1OC)C(=O)N1c3cn(C)nc3C(=O)N[C@@H]21 ZINC000000528706 277447974 /nfs/dbraw/zinc/44/79/74/277447974.db2.gz ZOSISIBBXAITHG-CYBMUJFWSA-N 0 0 314.301 0.840 50 0 DCAARN CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000044715573 279003433 /nfs/dbraw/zinc/00/34/33/279003433.db2.gz UNCHCBJAXKFYNN-GRYCIOLGSA-N 0 0 306.428 0.586 50 0 DCAARN CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N(C)Cc1cnn(C)c1 ZINC000041997279 279003444 /nfs/dbraw/zinc/00/34/44/279003444.db2.gz XEULOZGMXCIGRY-GFCCVEGCSA-N 0 0 316.427 0.342 50 0 DCAARN CCc1nnc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)s1 ZINC000016695297 288654034 /nfs/dbraw/zinc/65/40/34/288654034.db2.gz OYCKWZYNUFIOGV-CYBMUJFWSA-N 0 0 323.378 0.760 50 0 DCAARN C[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(Cl)cc3)CCN2C1=O ZINC000014749260 288844912 /nfs/dbraw/zinc/84/49/12/288844912.db2.gz KPAKGRVXFHEWTD-JOYOIKCWSA-N 0 0 321.764 0.511 50 0 DCAARN CN1C(=O)CO[C@@H](C(=O)NCCCO)[C@H]1c1ccc(F)cc1 ZINC000096181752 289814315 /nfs/dbraw/zinc/81/43/15/289814315.db2.gz UXHQXJKXSPEFGS-ZIAGYGMSSA-N 0 0 310.325 0.223 50 0 DCAARN CN1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)[C@H](c2ccccc2)C1 ZINC000036068085 290021487 /nfs/dbraw/zinc/02/14/87/290021487.db2.gz NYVKDMCDBCYQAU-CABCVRRESA-N 0 0 322.430 0.936 50 0 DCAARN C[N@@H+]1CCN2CCN(Cc3ccc(OCC(=O)[O-])cc3)C[C@H]2C1 ZINC000247721672 290060523 /nfs/dbraw/zinc/06/05/23/290060523.db2.gz BHTXRWJKDPQNNE-OAHLLOKOSA-N 0 0 319.405 0.582 50 0 DCAARN Cc1oc(NC(=O)CN2CCO[C@@H](C)C2)c2c1c(C)n[nH]c2=O ZINC000024082724 294037412 /nfs/dbraw/zinc/03/74/12/294037412.db2.gz DZPBNJCNVCSEGB-QMMMGPOBSA-N 0 0 320.349 0.792 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)c2cnnn2C)[C@@H](c2ccccc2)CO1 ZINC000330159121 297068432 /nfs/dbraw/zinc/06/84/32/297068432.db2.gz QJNYJASQIZXVLI-DGCLKSJQSA-N 0 0 322.390 0.966 50 0 DCAARN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)N[C@H](C)C[S@](C)=O ZINC000376942990 294690949 /nfs/dbraw/zinc/69/09/49/294690949.db2.gz GKGVDAKNGPHZBK-RDZWGODPSA-N 0 0 300.424 0.818 50 0 DCAARN NC(=O)[C@@H]1C[C@H](O)CN1c1ncnc2sc3c(c21)CCC3 ZINC000012850475 295129542 /nfs/dbraw/zinc/12/95/42/295129542.db2.gz WGORHNVUNUUFRW-CBAPKCEASA-N 0 0 304.375 0.605 50 0 DCAARN Cc1nn(C)cc1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000006726466 302794888 /nfs/dbraw/zinc/79/48/88/302794888.db2.gz QASAWZBDKWDMHJ-UHFFFAOYSA-N 0 0 301.368 0.256 50 0 DCAARN Cn1cncc1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000330121636 303025733 /nfs/dbraw/zinc/02/57/33/303025733.db2.gz GXPDBYWKSBQECX-UHFFFAOYSA-N 0 0 319.409 0.190 50 0 DCAARN CNC(=O)CN(C)S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000030323092 331619701 /nfs/dbraw/zinc/61/97/01/331619701.db2.gz ISLZPMJFEOGJCZ-UHFFFAOYSA-N 0 0 311.338 0.740 50 0 DCAARN CCOC(=O)[C@H](C)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC000570970149 333471700 /nfs/dbraw/zinc/47/17/00/333471700.db2.gz PRIVDYMJMLHKJX-LBPRGKRZSA-N 0 0 313.398 0.444 50 0 DCAARN CC(C)Cc1noc([C@H](C)NC(=O)N2CCNC(=O)CC2)n1 ZINC000534579700 334289115 /nfs/dbraw/zinc/28/91/15/334289115.db2.gz NSCHJJNMYARGJC-JTQLQIEISA-N 0 0 309.370 0.861 50 0 DCAARN Cc1cccc2[nH]c(CNC(=O)CN3CCN(C)C3=O)nc21 ZINC000534651027 334312093 /nfs/dbraw/zinc/31/20/93/334312093.db2.gz PISJTBOLCQCQCK-UHFFFAOYSA-N 0 0 301.350 0.855 50 0 DCAARN Cc1ccc(OCCS(=O)(=O)NCCn2cncn2)cc1 ZINC000534653005 334312835 /nfs/dbraw/zinc/31/28/35/334312835.db2.gz VWEAQUUCMPAZRC-UHFFFAOYSA-N 0 0 310.379 0.585 50 0 DCAARN O=C(Cn1ccc(=O)cc1)NC1(CN2CCOCC2)CCCC1 ZINC000534647935 334316110 /nfs/dbraw/zinc/31/61/10/334316110.db2.gz OOSPRGZZUXFPGG-UHFFFAOYSA-N 0 0 319.405 0.610 50 0 DCAARN COC[C@@H](C)NC(=O)c1cccc(-c2cc(N)nc(N)n2)c1 ZINC000534666977 334319107 /nfs/dbraw/zinc/31/91/07/334319107.db2.gz NSSBZJNLCDDSKM-SECBINFHSA-N 0 0 301.350 0.733 50 0 DCAARN Cc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCOCC2)c(C)n1 ZINC000534672314 334320587 /nfs/dbraw/zinc/32/05/87/334320587.db2.gz OHEVOTQBTFHOFB-GJZGRUSLSA-N 0 0 305.378 0.528 50 0 DCAARN COc1cc(C)c(S(=O)(=O)N[C@@H]2CCNC2=O)c(C)c1C ZINC000534661890 334321922 /nfs/dbraw/zinc/32/19/22/334321922.db2.gz DNVMDCNZWMZYCV-LLVKDONJSA-N 0 0 312.391 0.787 50 0 DCAARN C[C@@H](C(=O)Nc1nccs1)N1CCO[C@H](Cn2cncn2)C1 ZINC000071876568 337366878 /nfs/dbraw/zinc/36/68/78/337366878.db2.gz CSCATOOPYYNXFF-QWRGUYRKSA-N 0 0 322.394 0.463 50 0 DCAARN COC(=O)c1ncn(C[C@@H](O)c2ccc3c(c2)OCO3)c1CO ZINC000409444185 534362283 /nfs/dbraw/zinc/36/22/83/534362283.db2.gz QUYUVJPQTSYWLN-LLVKDONJSA-N 0 0 320.301 0.624 50 0 DCAARN O=C(COC[C@H]1CCCO1)NC1CCN(c2cnccn2)CC1 ZINC000299774175 534618637 /nfs/dbraw/zinc/61/86/37/534618637.db2.gz BVAIUXABWTXTOH-CQSZACIVSA-N 0 0 320.393 0.757 50 0 DCAARN CC(=O)[C@@](C)(O)CN1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000330878935 527138328 /nfs/dbraw/zinc/13/83/28/527138328.db2.gz YHYSESBGSFHOJA-KRWDZBQOSA-N 0 0 322.380 0.852 50 0 DCAARN CC(C)n1cnnc1CCNC(=O)c1cnn2ccn(C)c12 ZINC000299780456 528632481 /nfs/dbraw/zinc/63/24/81/528632481.db2.gz QCNRICQIUCBZFJ-UHFFFAOYSA-N 0 0 301.354 0.818 50 0 DCAARN CC[C@H](C)n1nc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1C ZINC000330716837 529286966 /nfs/dbraw/zinc/28/69/66/529286966.db2.gz CYHGUGKOLWHIKV-VIFPVBQESA-N 0 0 319.365 0.812 50 0 DCAARN NC(=O)c1ccc(NC(=O)CCCN2C(=O)CCC2=O)cc1 ZINC000002866828 545640973 /nfs/dbraw/zinc/64/09/73/545640973.db2.gz UXERBZRVJNNXIM-UHFFFAOYSA-N 0 0 303.318 0.653 50 0 DCAARN CCc1nc(C)ncc1C(=O)NCC(=O)NCC(F)(F)F ZINC000083817560 545698708 /nfs/dbraw/zinc/69/87/08/545698708.db2.gz ADXYHZWFCNHNCN-UHFFFAOYSA-N 0 0 304.272 0.756 50 0 DCAARN O=S(=O)(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccs1 ZINC000084442249 545700140 /nfs/dbraw/zinc/70/01/40/545700140.db2.gz XKFSGPAPYXTYEO-GHMZBOCLSA-N 0 0 302.421 0.890 50 0 DCAARN CC[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1N1CCOCC1 ZINC000084735807 545701742 /nfs/dbraw/zinc/70/17/42/545701742.db2.gz MRAXWXQXBXPZCA-CABCVRRESA-N 0 0 321.425 0.628 50 0 DCAARN C[C@@H]1C[C@H](N2CCO[C@H](CN(C)c3cccnn3)C2)C(=O)O1 ZINC000084685966 545703000 /nfs/dbraw/zinc/70/30/00/545703000.db2.gz BGVGPZDSRHINJI-UPJWGTAASA-N 0 0 306.366 0.318 50 0 DCAARN CC[C@H]1CN(C(=O)COc2cc(C)on2)C[C@@H]1N1CCOCC1 ZINC000084735868 545704170 /nfs/dbraw/zinc/70/41/70/545704170.db2.gz KBBMECRWZCALCI-KBPBESRZSA-N 0 0 323.393 0.931 50 0 DCAARN O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCc2[nH]cnc2C1 ZINC000096150083 545729215 /nfs/dbraw/zinc/72/92/15/545729215.db2.gz LFMULHJIVKTUAY-OAHLLOKOSA-N 0 0 323.360 0.765 50 0 DCAARN Nc1nnc(SCC(=O)NCc2cnn3cccnc23)s1 ZINC000216048293 545939111 /nfs/dbraw/zinc/93/91/11/545939111.db2.gz VUQURAHRNGXOCW-UHFFFAOYSA-N 0 0 321.391 0.572 50 0 DCAARN CC[C@H](C)[C@@H](CO)NC(=O)[C@H](c1ccccc1)n1cnnn1 ZINC000575443433 546299108 /nfs/dbraw/zinc/29/91/08/546299108.db2.gz FWCSRZFMNNWAEL-YUTCNCBUSA-N 0 0 303.366 0.786 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@@H]2C(=O)NCC2(C)C)cc1F ZINC000585094130 546303390 /nfs/dbraw/zinc/30/33/90/546303390.db2.gz GEXPURWLSWFHFA-LLVKDONJSA-N 0 0 316.354 0.637 50 0 DCAARN CCn1cnnc1CN(C)S(=O)(=O)N1CCCCCC1 ZINC000670434334 547088683 /nfs/dbraw/zinc/08/86/83/547088683.db2.gz SGARKHOOYFBIJO-UHFFFAOYSA-N 0 0 301.416 0.851 50 0 DCAARN Cn1ncnc1CCNC(=O)[C@@H]1CC(=O)OC12CCCCC2 ZINC000670451723 547096421 /nfs/dbraw/zinc/09/64/21/547096421.db2.gz GUVGOEKOMZRDEM-NSHDSACASA-N 0 0 306.366 0.740 50 0 DCAARN COC(=O)N[C@H](C)C(=O)N1CCC2(CCC(=O)N(C)C2)CC1 ZINC000670473758 547103102 /nfs/dbraw/zinc/10/31/02/547103102.db2.gz AFHBPGPLCXQDHC-LLVKDONJSA-N 0 0 311.382 0.592 50 0 DCAARN Cn1nccc1S(=O)(=O)N1CCC[C@@H](CC(N)=O)CC1 ZINC000671413989 547206131 /nfs/dbraw/zinc/20/61/31/547206131.db2.gz VZYPXWRISRRQKQ-SNVBAGLBSA-N 0 0 300.384 0.086 50 0 DCAARN O=C(COc1ccc(F)cc1)N[C@H]1COC[C@H]1Oc1cn[nH]c1 ZINC000685941873 548746645 /nfs/dbraw/zinc/74/66/45/548746645.db2.gz JZDRCNZPRLJZRR-UONOGXRCSA-N 0 0 321.308 0.890 50 0 DCAARN Cc1nc(CN2CC(N3C[C@@H](C(=O)N(C)C)CC3=O)C2)[nH]c1C ZINC000685941171 548747075 /nfs/dbraw/zinc/74/70/75/548747075.db2.gz UIDLIIHOXNDPBU-LBPRGKRZSA-N 0 0 319.409 0.147 50 0 DCAARN COc1ncc(C)cc1NC(=O)N1CC2(C1)CS(=O)(=O)C2 ZINC000685943289 548748247 /nfs/dbraw/zinc/74/82/47/548748247.db2.gz KJGLUHUQDXICKG-UHFFFAOYSA-N 0 0 311.363 0.661 50 0 DCAARN O=C([O-])c1cccc(CC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000685945030 548749499 /nfs/dbraw/zinc/74/94/99/548749499.db2.gz PBSPYRDQUPHFNA-OAHLLOKOSA-N 0 0 317.389 0.433 50 0 DCAARN CN(C)C(=O)C(C)(C)NC(=O)c1ccn(C2CCOCC2)n1 ZINC000888100187 661178719 /nfs/dbraw/zinc/17/87/19/661178719.db2.gz IAXMMENIXKDDNI-UHFFFAOYSA-N 0 0 308.382 0.831 50 0 DCAARN O=C(NCCCn1cc(Cl)cn1)c1nc2ncccn2n1 ZINC000002808226 658301648 /nfs/dbraw/zinc/30/16/48/658301648.db2.gz YNQWLABMVNOLIU-UHFFFAOYSA-N 0 0 305.729 0.794 50 0 DCAARN Cc1c[nH]c(C(=O)N2CCC(Cn3cc([C@@H](C)O)nn3)CC2)n1 ZINC000023159633 658832842 /nfs/dbraw/zinc/83/28/42/658832842.db2.gz NRZAZUKYPURXMI-LLVKDONJSA-N 0 0 318.381 0.915 50 0 DCAARN CCOC(=O)[C@@H]1CC[C@H](C)N(C(=O)CSCC(N)=O)[C@@H]1C ZINC000952993244 665868535 /nfs/dbraw/zinc/86/85/35/665868535.db2.gz SNRCWTDVCPHOCO-HBNTYKKESA-N 0 0 316.423 0.784 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@H](C(=O)N(C)C)C1 ZINC000952979682 685601084 /nfs/dbraw/zinc/60/10/84/685601084.db2.gz RASIFGXWBKIKKX-AWEZNQCLSA-N 0 0 322.409 0.285 50 0 DCAARN CC1(C(=O)NCC2CCN(C(=O)CNC(N)=O)CC2)CCCC1 ZINC000952984817 685602002 /nfs/dbraw/zinc/60/20/02/685602002.db2.gz NPBFUXYOCSAWTA-UHFFFAOYSA-N 0 0 324.425 0.590 50 0 DCAARN COC1(c2cnnn2C)CN(S(=O)(=O)c2cccc(C)c2)C1 ZINC000952993119 685603746 /nfs/dbraw/zinc/60/37/46/685603746.db2.gz CXUPMFPJFDAHHK-UHFFFAOYSA-N 0 0 322.390 0.670 50 0 DCAARN O=C(N[C@H]1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2C1)c1ccccc1 ZINC000014748446 685048862 /nfs/dbraw/zinc/04/88/62/685048862.db2.gz MVSLMVOJNRAMEK-IHRRRGAJSA-N 0 0 313.357 0.391 50 0 DCAARN C[C@@H]1NC(=O)[C@H]2CN(Cc3cccc(Cl)c3)CCN2C1=O ZINC000014750466 685049195 /nfs/dbraw/zinc/04/91/95/685049195.db2.gz VLZZUFVDWIUCOR-GXFFZTMASA-N 0 0 307.781 0.871 50 0 DCAARN COc1cccc(CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C(=O)[O-])C2)c1 ZINC000063882544 685063676 /nfs/dbraw/zinc/06/36/76/685063676.db2.gz RBCGDZUONCKCRF-LRDDRELGSA-N 0 0 319.361 0.511 50 0 DCAARN Cc1nc(C)n(C[C@H](C)c2nc(CN3CCN(C)CC3)no2)n1 ZINC000067515000 685069698 /nfs/dbraw/zinc/06/96/98/685069698.db2.gz MEOIOHKWWFTKKC-NSHDSACASA-N 0 0 319.413 0.829 50 0 DCAARN O=C(c1ccccc1-n1cncn1)N1CCC([C@@H](O)CO)CC1 ZINC001772700832 1157840721 /nfs/dbraw/zinc/84/07/21/1157840721.db2.gz IZRRBMVCROOFCG-HNNXBMFYSA-N 0 0 316.361 0.473 50 0 DCAARN O=C([O-])[C@@]12CN(C(=O)C[NH+]3CCCCCC3)C[C@@H]1COCC2 ZINC001772703873 1157842485 /nfs/dbraw/zinc/84/24/85/1157842485.db2.gz KEQMEZFOUUMZQW-CJNGLKHVSA-N 0 0 310.394 0.812 50 0 DCAARN CCc1c(C)cc(C(=O)N(CCO)Cc2ncc[nH]2)c(=O)n1C ZINC001772707130 1157845114 /nfs/dbraw/zinc/84/51/14/1157845114.db2.gz KGRKMKLVDVAQMQ-UHFFFAOYSA-N 0 0 318.377 0.614 50 0 DCAARN COCCN1C[C@]2(CCCN(c3nc(C)nn3C)C2)CCC1=O ZINC001704299107 1179964268 /nfs/dbraw/zinc/96/42/68/1179964268.db2.gz OIPIWYGVHBOGPV-INIZCTEOSA-N 0 0 321.425 0.979 50 0 DCAARN CNc1ncccc1C(=O)N1C[C@H](O)[C@H](Cc2cc(C)n[nH]2)C1 ZINC001704302099 1179965880 /nfs/dbraw/zinc/96/58/80/1179965880.db2.gz CAGMFFQHCJKJBO-RISCZKNCSA-N 0 0 315.377 0.830 50 0 DCAARN CCOc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)N(C)C2 ZINC001704330324 1179975060 /nfs/dbraw/zinc/97/50/60/1179975060.db2.gz BFVYUOUKSNFMRU-OLZOCXBDSA-N 0 0 305.378 0.883 50 0 DCAARN NS(=O)(=O)CCCC(=O)N1CCC[C@@]2(CCC[C@H]2O)C1 ZINC001704338476 1179977910 /nfs/dbraw/zinc/97/79/10/1179977910.db2.gz CBVSIDDOUOYDKU-YPMHNXCESA-N 0 0 304.412 0.209 50 0 DCAARN Cc1nn(C)cc1C[NH+]1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C ZINC001704348740 1179981996 /nfs/dbraw/zinc/98/19/96/1179981996.db2.gz BJQWMXUOZKOGHZ-CYBMUJFWSA-N 0 0 320.393 0.626 50 0 DCAARN CN(C)S(=O)(=O)Nc1n[nH]cc1I ZINC000585129367 747784630 /nfs/dbraw/zinc/78/46/30/747784630.db2.gz HENUTKHPBUWSQE-UHFFFAOYSA-N 0 0 316.124 0.233 50 0 DCAARN CC(=O)N1CCOc2ccc(C(=O)N3CCOCC3)cc2C1 ZINC000675018646 748027572 /nfs/dbraw/zinc/02/75/72/748027572.db2.gz XWMFEYIQHUNYOT-UHFFFAOYSA-N 0 0 304.346 0.900 50 0 DCAARN Cc1occc1C(=O)NCCN1CC[C@@H](N2CCOCC2)C1=O ZINC000675021082 748027578 /nfs/dbraw/zinc/02/75/78/748027578.db2.gz LDMIMCVAVHZWGN-CQSZACIVSA-N 0 0 321.377 0.251 50 0 DCAARN CCn1cc(S(=O)(=O)N2CC[C@H](CC(=O)NC)C2)c(C)n1 ZINC000823820870 758269521 /nfs/dbraw/zinc/26/95/21/758269521.db2.gz CEBCONHARYGTQP-LLVKDONJSA-N 0 0 314.411 0.358 50 0 DCAARN COCC1CCN(S(=O)(=O)NCc2csc(N)n2)CC1 ZINC000824372258 758771806 /nfs/dbraw/zinc/77/18/06/758771806.db2.gz RQDMROVWNUQMNA-UHFFFAOYSA-N 0 0 320.440 0.418 50 0 DCAARN COCC[C@@H]1CCCN(S(=O)(=O)N2CCN(C)CC2)C1 ZINC000824384103 758772300 /nfs/dbraw/zinc/77/23/00/758772300.db2.gz GGGXYASOKXDEQR-ZDUSSCGKSA-N 0 0 305.444 0.227 50 0 DCAARN COc1ccccc1-n1cc(CNS(=O)(=O)N(C)C)cn1 ZINC000824835200 758787856 /nfs/dbraw/zinc/78/78/56/758787856.db2.gz STZHWJCYXIHHQA-UHFFFAOYSA-N 0 0 310.379 0.777 50 0 DCAARN CN(C[C@@H]1CCOC1)S(=O)(=O)c1cc(C(N)=O)cs1 ZINC000826848973 758845287 /nfs/dbraw/zinc/84/52/87/758845287.db2.gz CTPSCNWBAYPBGL-QMMMGPOBSA-N 0 0 304.393 0.504 50 0 DCAARN O=C(CN1CCCCC1=O)Nc1ccc(Oc2nn[nH]n2)cc1 ZINC000827831768 758887007 /nfs/dbraw/zinc/88/70/07/758887007.db2.gz GSCLMJICAKDFJH-UHFFFAOYSA-N 0 0 316.321 0.943 50 0 DCAARN Cn1nnnc1SCCNC(=O)c1[nH]nc2ccccc21 ZINC000828214637 758953523 /nfs/dbraw/zinc/95/35/23/758953523.db2.gz RSXFYSVGOZKPFC-UHFFFAOYSA-N 0 0 303.351 0.609 50 0 DCAARN CCc1nc(S(=O)(=O)NCCN2CCCC[C@@H]2CO)c[nH]1 ZINC000828710932 759073602 /nfs/dbraw/zinc/07/36/02/759073602.db2.gz PXSIWHPHMBCKCG-LLVKDONJSA-N 0 0 316.427 0.097 50 0 DCAARN CC(C)N(C)S(=O)(=O)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000828896809 759119128 /nfs/dbraw/zinc/11/91/28/759119128.db2.gz UOTIMTINAHCSCU-STQMWFEESA-N 0 0 305.444 0.102 50 0 DCAARN COCC(=O)N[C@@H]1CN(C(=O)c2ccc(C)cc2)CC[C@@H]1CO ZINC000581798561 760251304 /nfs/dbraw/zinc/25/13/04/760251304.db2.gz QQBXKRFRSGPCOA-HUUCEWRRSA-N 0 0 320.389 0.581 50 0 DCAARN CCOCCCNC(=O)[C@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000581792299 760252091 /nfs/dbraw/zinc/25/20/91/760252091.db2.gz FQPNFFPZUUYXPV-LBPRGKRZSA-N 0 0 308.382 0.149 50 0 DCAARN COCCN1C(=O)c2cccn2C[C@@H]1CNC(=O)c1ccco1 ZINC000581792745 760252516 /nfs/dbraw/zinc/25/25/16/760252516.db2.gz PVCRRUQBWZCOLS-LBPRGKRZSA-N 0 0 317.345 0.982 50 0 DCAARN CCn1nccc1C(=O)N1CCC(n2c(C)nn(C)c2=O)CC1 ZINC000581814079 760257382 /nfs/dbraw/zinc/25/73/82/760257382.db2.gz SPDXBCYZLNCMLD-UHFFFAOYSA-N 0 0 318.381 0.584 50 0 DCAARN Cc1cc(C)n2nc(CC(=O)N(C)Cc3nncn3C)nc2n1 ZINC000585083469 766268684 /nfs/dbraw/zinc/26/86/84/766268684.db2.gz WYUAFCUJDHHBMC-UHFFFAOYSA-N 0 0 314.353 0.071 50 0 DCAARN Cc1nc(C(=O)NC[C@@H]2COCO2)nn1-c1ccc(F)cc1 ZINC000585087940 766275499 /nfs/dbraw/zinc/27/54/99/766275499.db2.gz CKCMUYNQELQALX-GFCCVEGCSA-N 0 0 306.297 0.818 50 0 DCAARN C[C@H](C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1)C(C)(C)C ZINC000585087745 766275546 /nfs/dbraw/zinc/27/55/46/766275546.db2.gz MNVREOUICSRUCD-SNVBAGLBSA-N 0 0 324.468 0.938 50 0 DCAARN CC(C)Oc1ccc(CCNC(=O)[C@H]2OCCN(C)C2=O)cc1 ZINC000585121842 766286430 /nfs/dbraw/zinc/28/64/30/766286430.db2.gz BZNVVYBOPWCERX-OAHLLOKOSA-N 0 0 320.389 0.990 50 0 DCAARN Cc1noc([C@@H]2C[N@@H+](C[C@H]3CCCCN(C)C3=O)CCN2C)n1 ZINC000585117435 766286773 /nfs/dbraw/zinc/28/67/73/766286773.db2.gz CMIKZBJLEPBZOJ-KGLIPLIRSA-N 0 0 321.425 0.925 50 0 DCAARN COc1ccc(Cl)cc1NC(=O)N1CC(S(N)(=O)=O)C1 ZINC000585119938 766287311 /nfs/dbraw/zinc/28/73/11/766287311.db2.gz BAFSYGZSCRVHAV-UHFFFAOYSA-N 0 0 319.770 0.853 50 0 DCAARN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cc(=O)n(C)cn1 ZINC000585125390 766288291 /nfs/dbraw/zinc/28/82/91/766288291.db2.gz QEZROCCXNKHKCW-UHFFFAOYSA-N 0 0 315.255 0.943 50 0 DCAARN NS(=O)(=O)N1CCC(CNC(=O)C2CCCCC2)CC1 ZINC000952861135 768921373 /nfs/dbraw/zinc/92/13/73/768921373.db2.gz XUHQLCDJIUUIIB-UHFFFAOYSA-N 0 0 303.428 0.598 50 0 DCAARN COC(OC)C(=O)N1CCN(C(=O)OC[C@H]2CCCO2)CC1 ZINC000952877486 768941869 /nfs/dbraw/zinc/94/18/69/768941869.db2.gz QKRVAWPVYFWIMA-LLVKDONJSA-N 0 0 316.354 0.065 50 0 DCAARN C[C@H]1CN(c2nnnn2Cc2ccnn2C)CC2(CCCC2)O1 ZINC000952879497 768943471 /nfs/dbraw/zinc/94/34/71/768943471.db2.gz RJCZUHGRKCHPHJ-LBPRGKRZSA-N 0 0 317.397 0.993 50 0 DCAARN Cc1cc(=O)[nH]c(N2CC[C@H](NC(=O)N3CCSCC3)C2)n1 ZINC000952880394 768945395 /nfs/dbraw/zinc/94/53/95/768945395.db2.gz JZXDVMUPXBROKB-NSHDSACASA-N 0 0 323.422 0.828 50 0 DCAARN C[C@H]1CCCC[C@@H]1CC(=O)NCCc1nnc2n1CCNC2=O ZINC000952884235 768952132 /nfs/dbraw/zinc/95/21/32/768952132.db2.gz WGJMQDLZZZHPTJ-NWDGAFQWSA-N 0 0 319.409 0.897 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cc(C)nc(C)n3)C[C@@H]2O)[nH]n1 ZINC001529093938 1014495027 /nfs/dbraw/zinc/49/50/27/1014495027.db2.gz BRDAEIGZJNVSRV-DOMZBBRYSA-N 0 0 315.377 0.801 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)CCCn3cncn3)C[C@H]2O)on1 ZINC001529179128 1014513629 /nfs/dbraw/zinc/51/36/29/1014513629.db2.gz VSHTZLZLDVQBKW-TZMCWYRMSA-N 0 0 319.365 0.417 50 0 DCAARN CN1C[C@H](CNc2ncc(F)c(N3CCCC3)n2)OCC1=O ZINC001506406040 1017255494 /nfs/dbraw/zinc/25/54/94/1017255494.db2.gz FDZJBPHERTZPLK-JTQLQIEISA-N 0 0 309.345 0.485 50 0 DCAARN Cc1nc(C2CCN(c3cc(NCCO)ncn3)CC2)n[nH]1 ZINC001506402423 1017256440 /nfs/dbraw/zinc/25/64/40/1017256440.db2.gz YBWRUAVVZFCHKC-UHFFFAOYSA-N 0 0 303.370 0.691 50 0 DCAARN O=C(c1ccco1)N1CCCN(C(=O)c2ncc[nH]c2=O)CC1 ZINC001506401607 1017256541 /nfs/dbraw/zinc/25/65/41/1017256541.db2.gz KFSVKGVMOAHESE-UHFFFAOYSA-N 0 0 316.317 0.351 50 0 DCAARN CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1ncc[nH]c1=O ZINC001506426938 1017268818 /nfs/dbraw/zinc/26/88/18/1017268818.db2.gz QNGDDCJTXHFQAT-LLVKDONJSA-N 0 0 318.377 0.633 50 0 DCAARN COC[C@@H]1CCCN(S(=O)(=O)NCCc2cccnc2)C1 ZINC001506418987 1017263357 /nfs/dbraw/zinc/26/33/57/1017263357.db2.gz LLOSEOLSNPRODB-CQSZACIVSA-N 0 0 313.423 0.817 50 0 DCAARN NC(=O)c1nc(CNC(=O)c2nc3c(s2)CCCC3)no1 ZINC001506402198 1017255687 /nfs/dbraw/zinc/25/56/87/1017255687.db2.gz VIUGGVQGDISDQY-UHFFFAOYSA-N 0 0 307.335 0.434 50 0 DCAARN CN1C[C@@H](C(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)CC1=O ZINC000095476374 185373355 /nfs/dbraw/zinc/37/33/55/185373355.db2.gz CKHILHNBLHVEMO-JTQLQIEISA-N 0 0 317.324 0.951 50 0 DCAARN COC(=O)[C@@H](C)NC(=O)[C@@H](C)n1nnc2ccccc2c1=O ZINC000095479616 185373613 /nfs/dbraw/zinc/37/36/13/185373613.db2.gz POQWJCBBPCZJBR-RKDXNWHRSA-N 0 0 304.306 0.030 50 0 DCAARN CN(Cc1ccc2nonc2c1)C(=O)CN1CCN(C)C1=O ZINC000095524490 185377658 /nfs/dbraw/zinc/37/76/58/185377658.db2.gz KMCXAEFUGZTGNJ-UHFFFAOYSA-N 0 0 303.322 0.549 50 0 DCAARN Cc1nn(C)cc1C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000078901416 185126292 /nfs/dbraw/zinc/12/62/92/185126292.db2.gz SWNOJPSEWUEGDG-JTQLQIEISA-N 0 0 316.365 0.570 50 0 DCAARN O=C(CCc1nc2ccccc2o1)N1CCN(CCO)CC1 ZINC000078958551 185135910 /nfs/dbraw/zinc/13/59/10/185135910.db2.gz DPMPSAYYPVARJK-UHFFFAOYSA-N 0 0 303.362 0.897 50 0 DCAARN CC[C@H](C(N)=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000078970661 185137663 /nfs/dbraw/zinc/13/76/63/185137663.db2.gz BOWMUEYNNDONJW-SNVBAGLBSA-N 0 0 301.341 0.660 50 0 DCAARN CC(=O)c1cn(CC(=O)N(C)c2ccccc2)c(=O)n(C)c1=O ZINC000079098627 185158098 /nfs/dbraw/zinc/15/80/98/185158098.db2.gz ULHUCYZSLXVJIO-UHFFFAOYSA-N 0 0 315.329 0.413 50 0 DCAARN CC(=O)NCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000082400654 185177693 /nfs/dbraw/zinc/17/76/93/185177693.db2.gz KDSCBFZWTOTTQN-UHFFFAOYSA-N 0 0 319.361 0.196 50 0 DCAARN Cc1nccn1-c1cncc(N2CCS(=O)(=O)[C@@H](C)C2)n1 ZINC000097142341 282199335 /nfs/dbraw/zinc/19/93/35/282199335.db2.gz TWLHCCUXDNNZDY-JTQLQIEISA-N 0 0 307.379 0.594 50 0 DCAARN C[C@@H](C1CC1)N(C)S(=O)(=O)NCc1nnc2ccccn21 ZINC000088767926 185264724 /nfs/dbraw/zinc/26/47/24/185264724.db2.gz QPWXOFPDRHZEQX-JTQLQIEISA-N 0 0 309.395 0.794 50 0 DCAARN CCCCn1nnnc1NC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000082039513 192353467 /nfs/dbraw/zinc/35/34/67/192353467.db2.gz HZZVPGGXUNZCEP-VIFPVBQESA-N 0 0 316.387 0.029 50 0 DCAARN Cc1cn2c(n1)CC[C@H](NS(=O)(=O)c1c(C)nn(C)c1C)C2 ZINC000090168739 185284813 /nfs/dbraw/zinc/28/48/13/185284813.db2.gz DUICLIVZXBLDJI-LBPRGKRZSA-N 0 0 323.422 0.835 50 0 DCAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCn1cnnn1 ZINC000082099179 192354732 /nfs/dbraw/zinc/35/47/32/192354732.db2.gz HUOBFLVWVIXVKU-UHFFFAOYSA-N 0 0 311.349 0.908 50 0 DCAARN Cn1cc(C(=O)N2CC(c3nc(-c4ccco4)no3)C2)nn1 ZINC000090567436 185304217 /nfs/dbraw/zinc/30/42/17/185304217.db2.gz BUJFZHAXBUZXQY-UHFFFAOYSA-N 0 0 300.278 0.698 50 0 DCAARN CC(C)Cc1noc(CN2CCN(CC(=O)NC3CC3)CC2)n1 ZINC000096991272 185395365 /nfs/dbraw/zinc/39/53/65/185395365.db2.gz BAJBOZIEJUZSGC-UHFFFAOYSA-N 0 0 321.425 0.664 50 0 DCAARN Cc1cc(C)n(CCCC(=O)N2CC[C@@]3(CC(=O)NC3=O)C2)n1 ZINC000082138784 192360635 /nfs/dbraw/zinc/36/06/35/192360635.db2.gz KXRKTFFPLRTKCF-MRXNPFEDSA-N 0 0 318.377 0.545 50 0 DCAARN CCCCn1nc(-c2ccccn2)nc1C[C@@H]1NC(=O)NC1=O ZINC000095391459 185351692 /nfs/dbraw/zinc/35/16/92/185351692.db2.gz AEJWHAFICMZTDJ-NSHDSACASA-N 0 0 314.349 0.891 50 0 DCAARN O=S1(=O)C[C@H](N2CCCCC2)[C@H](NCc2cccnc2)C1 ZINC000095397266 185353164 /nfs/dbraw/zinc/35/31/64/185353164.db2.gz PMZZPORAZFMCFH-CABCVRRESA-N 0 0 309.435 0.823 50 0 DCAARN CCC[C@@H]1CN(C(=O)C(=O)c2cccn2C)C[C@H]1NC(C)=O ZINC000082146660 192361927 /nfs/dbraw/zinc/36/19/27/192361927.db2.gz GGILQMOQYYBFKL-CHWSQXEVSA-N 0 0 305.378 0.971 50 0 DCAARN COCCN1CCC[C@H](NC(=O)C(F)(F)C2(O)CCC2)C1 ZINC000095449511 185368346 /nfs/dbraw/zinc/36/83/46/185368346.db2.gz UAONZMFYGXVXRX-NSHDSACASA-N 0 0 306.353 0.764 50 0 DCAARN CN(C)c1cc(C(=O)N[C@H](CO)CCO)c2ccccc2n1 ZINC000408515490 529772042 /nfs/dbraw/zinc/77/20/42/529772042.db2.gz HYZCWUJMFRHCJK-NSHDSACASA-N 0 0 303.362 0.774 50 0 DCAARN CCCn1nc(C(=O)N(C)C2(C(N)=O)CCCC2)ccc1=O ZINC000095441875 185366603 /nfs/dbraw/zinc/36/66/03/185366603.db2.gz SRVCCDRGVJSMBI-UHFFFAOYSA-N 0 0 306.366 0.523 50 0 DCAARN Cc1ccc(-c2noc(CCC(=O)NC(CO)CO)n2)cc1F ZINC000095456348 185370011 /nfs/dbraw/zinc/37/00/11/185370011.db2.gz PAYNMHVCYWFUAJ-UHFFFAOYSA-N 0 0 323.324 0.586 50 0 DCAARN CN(C[C@H](O)CO)S(=O)(=O)c1cccc(Br)c1 ZINC000095455687 185370137 /nfs/dbraw/zinc/37/01/37/185370137.db2.gz HQIZBEHQSAQMEL-VIFPVBQESA-N 0 0 324.196 0.423 50 0 DCAARN Cn1ncc2c1nc(NC[C@@H]1COC3(CCCC3)O1)[nH]c2=O ZINC000095459431 185370572 /nfs/dbraw/zinc/37/05/72/185370572.db2.gz PIUQUMJBIQYHRX-SECBINFHSA-N 0 0 305.338 0.754 50 0 DCAARN O=S1(=O)CC[C@H](N(CCO)CC2=Cc3ccccc3OC2)C1 ZINC000097032510 185399434 /nfs/dbraw/zinc/39/94/34/185399434.db2.gz RXJZQQZMCVKELP-HNNXBMFYSA-N 0 0 323.414 0.944 50 0 DCAARN COCC(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 ZINC000225779412 201745042 /nfs/dbraw/zinc/74/50/42/201745042.db2.gz QEKLSEVSQOHZER-UHFFFAOYSA-N 0 0 307.737 0.879 50 0 DCAARN O=C(CCN1CCCCO1)NCc1noc([C@@H]2CCCO2)n1 ZINC000063833410 190699681 /nfs/dbraw/zinc/69/96/81/190699681.db2.gz OUMINSQEHLCCEM-NSHDSACASA-N 0 0 310.354 0.955 50 0 DCAARN CS(=O)(=O)Cc1ccc(CNC(=O)c2nccnc2N)cc1 ZINC000080424632 192156457 /nfs/dbraw/zinc/15/64/57/192156457.db2.gz FUADWKWWWJDFBI-UHFFFAOYSA-N 0 0 320.374 0.533 50 0 DCAARN Cn1c(=O)[nH]cc(C(=O)NCCc2c[nH]c3ccccc23)c1=O ZINC000070634686 190909144 /nfs/dbraw/zinc/90/91/44/190909144.db2.gz OJIDNQCBTMEUII-UHFFFAOYSA-N 0 0 312.329 0.527 50 0 DCAARN O=C(Nc1ccc2c[nH]nc2c1)C1CN(S(=O)(=O)C2CC2)C1 ZINC000070839329 190919966 /nfs/dbraw/zinc/91/99/66/190919966.db2.gz HNGNXQBROQRNAZ-UHFFFAOYSA-N 0 0 320.374 0.925 50 0 DCAARN CC(=O)c1cccc(NC(=O)CN2C[C@@H](C)O[C@H](C(N)=O)C2)c1 ZINC000083996131 192395138 /nfs/dbraw/zinc/39/51/38/192395138.db2.gz JWPZZIJDLLXRLM-YGRLFVJLSA-N 0 0 319.361 0.402 50 0 DCAARN CC(=O)c1cccc(NC(=O)CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1 ZINC000083996128 192395732 /nfs/dbraw/zinc/39/57/32/192395732.db2.gz JWPZZIJDLLXRLM-QMTHXVAHSA-N 0 0 319.361 0.402 50 0 DCAARN COc1ccc(C2(C(=O)N3CC[NH2+][C@H](C(=O)[O-])C3)CC2)cc1 ZINC000071747474 191020565 /nfs/dbraw/zinc/02/05/65/191020565.db2.gz VSSCCKXZWYNOKK-ZDUSSCGKSA-N 0 0 304.346 0.612 50 0 DCAARN Cc1nn(C)c2nc(C)cc(C(=O)N3CC[NH2+][C@H](C(=O)[O-])C3)c12 ZINC000071753464 191023882 /nfs/dbraw/zinc/02/38/82/191023882.db2.gz XBAAKIGKSDUWSE-NSHDSACASA-N 0 0 317.349 0.084 50 0 DCAARN COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NC(C)C ZINC000072146161 191052834 /nfs/dbraw/zinc/05/28/34/191052834.db2.gz QVJPESDRONADIG-CQSZACIVSA-N 0 0 319.405 0.910 50 0 DCAARN COC(=O)c1ccc(-c2noc(CN(C)[C@@H](C)C(N)=O)n2)cc1 ZINC000072158379 191060342 /nfs/dbraw/zinc/06/03/42/191060342.db2.gz DBDOWVNVECORRB-VIFPVBQESA-N 0 0 318.333 0.829 50 0 DCAARN O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCC[C@](O)(CO)C1 ZINC000072165514 191064692 /nfs/dbraw/zinc/06/46/92/191064692.db2.gz PDYOIIQAPWMBPI-MRXNPFEDSA-N 0 0 317.345 0.742 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC(c2ccccn2)C1 ZINC000072171565 191070154 /nfs/dbraw/zinc/07/01/54/191070154.db2.gz CLWBCRXCNRQRON-CYBMUJFWSA-N 0 0 309.391 0.431 50 0 DCAARN CCn1nc(C)c(CCC(=O)NCCN2CCOCC2)c1C ZINC000072240484 191083973 /nfs/dbraw/zinc/08/39/73/191083973.db2.gz YMGHGWFZOVPXDV-UHFFFAOYSA-N 0 0 308.426 0.901 50 0 DCAARN COCCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1 ZINC000072241754 191084643 /nfs/dbraw/zinc/08/46/43/191084643.db2.gz PBFZHCPCSPGFSA-CABCVRRESA-N 0 0 324.352 0.877 50 0 DCAARN Cc1ccsc1C(=O)N1CCN(CCS(C)(=O)=O)CC1 ZINC000072256490 191088346 /nfs/dbraw/zinc/08/83/46/191088346.db2.gz YTGDLZRBQYERQP-UHFFFAOYSA-N 0 0 316.448 0.859 50 0 DCAARN O=C(CN1CCC[C@@H](c2cc[nH]n2)C1)N[C@@H]1CCCCNC1=O ZINC000072270686 191094310 /nfs/dbraw/zinc/09/43/10/191094310.db2.gz DAFYZEFSOHFOSH-TZMCWYRMSA-N 0 0 319.409 0.374 50 0 DCAARN C[C@@H](C(=O)N1CCC(Nc2cccnn2)CC1)N1CCOCC1 ZINC000072279598 191100579 /nfs/dbraw/zinc/10/05/79/191100579.db2.gz MGSGCVIVOUCTHE-ZDUSSCGKSA-N 0 0 319.409 0.600 50 0 DCAARN O=C(Cn1cccn1)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000072280479 191101919 /nfs/dbraw/zinc/10/19/19/191101919.db2.gz HUWJJZDUCXVYRZ-HNNXBMFYSA-N 0 0 312.373 0.889 50 0 DCAARN CCN1CN(C(=O)c2ccccc2S[C@@H](C)C(N)=O)CC1=O ZINC000253392981 186303433 /nfs/dbraw/zinc/30/34/33/186303433.db2.gz PEICISXVQKBLTD-JTQLQIEISA-N 0 0 321.402 0.914 50 0 DCAARN COC(=O)[C@@H](NC(=O)Cc1nc2nc(C)cc(C)n2n1)C1CC1 ZINC000072305434 191117684 /nfs/dbraw/zinc/11/76/84/191117684.db2.gz JWAOIVSFSMRHRI-ZDUSSCGKSA-N 0 0 317.349 0.351 50 0 DCAARN Cn1cc(C(=O)CCC(=O)N[C@@H]2CCCC[C@H]2C(N)=O)cn1 ZINC000279840426 186504098 /nfs/dbraw/zinc/50/40/98/186504098.db2.gz JNHAIZXPLIHATG-VXGBXAGGSA-N 0 0 306.366 0.543 50 0 DCAARN COc1ccc(CN2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000072422749 191158106 /nfs/dbraw/zinc/15/81/06/191158106.db2.gz IQDWVUZKDRKYQO-CVEARBPZSA-N 0 0 324.446 0.917 50 0 DCAARN O=C(NCCc1nc2c(s1)CCC2)[C@H]1NCCc2nc[nH]c21 ZINC000072477312 191178858 /nfs/dbraw/zinc/17/88/58/191178858.db2.gz JPJNJGUOXDXJSO-AWEZNQCLSA-N 0 0 317.418 0.901 50 0 DCAARN Cn1c2nc(NC3CCCCC3)n(CCO)c2c(=O)[nH]c1=O ZINC000000544369 180818214 /nfs/dbraw/zinc/81/82/14/180818214.db2.gz KFWNBYBFNOSCHQ-UHFFFAOYSA-N 0 0 307.354 0.160 50 0 DCAARN Cn1cc(C[C@@H]2CC(=O)N(CC(=O)c3cccn3C)C2=O)cn1 ZINC000173471665 198218180 /nfs/dbraw/zinc/21/81/80/198218180.db2.gz HNXALFWJPYJOAV-GFCCVEGCSA-N 0 0 314.345 0.559 50 0 DCAARN CCCOC(=O)Cn1cnc2sc(C(N)=O)c(C)c2c1=O ZINC000001910724 180901659 /nfs/dbraw/zinc/90/16/59/180901659.db2.gz FKEOTKPFDXTHLW-UHFFFAOYSA-N 0 0 309.347 0.819 50 0 DCAARN COc1ccc(OC)c(NC(=O)C(=O)NC[C@H]2CCCO2)c1 ZINC000002501288 180928433 /nfs/dbraw/zinc/92/84/33/180928433.db2.gz VFWCHPITFIBGJU-LLVKDONJSA-N 0 0 308.334 0.938 50 0 DCAARN CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1 ZINC000002578358 180937155 /nfs/dbraw/zinc/93/71/55/180937155.db2.gz RNVXEORHJBSIMW-UHFFFAOYSA-N 0 0 313.361 0.832 50 0 DCAARN CN(CC(=O)NCCO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002811604 180960471 /nfs/dbraw/zinc/96/04/71/180960471.db2.gz QRHHZYVMTBORLX-UHFFFAOYSA-N 0 0 306.771 0.069 50 0 DCAARN CCOC(=O)c1ccccc1NC(=O)CN1C(=O)CN(C)C1=O ZINC000003370111 181012293 /nfs/dbraw/zinc/01/22/93/181012293.db2.gz JKWIZCZOECWOJP-UHFFFAOYSA-N 0 0 319.317 0.696 50 0 DCAARN C[C@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000003905853 181056087 /nfs/dbraw/zinc/05/60/87/181056087.db2.gz ZITRQXTWNABIBL-ONGXEEELSA-N 0 0 301.339 0.896 50 0 DCAARN O=C(CNC(=O)OCc1ccccc1)N[C@@H]1CCCCNC1=O ZINC000004029335 181064297 /nfs/dbraw/zinc/06/42/97/181064297.db2.gz RCICHKSHQWTLNU-CYBMUJFWSA-N 0 0 319.361 0.698 50 0 biogenic DCAARN C[C@@H](O)Cn1c2c(nc1N1CCCCCC1)n(C)c(=O)[nH]c2=O ZINC000004318043 181097375 /nfs/dbraw/zinc/09/73/75/181097375.db2.gz QCFRUTCJCQNDJH-SNVBAGLBSA-N 0 0 321.381 0.185 50 0 DCAARN CCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000004364835 181102905 /nfs/dbraw/zinc/10/29/05/181102905.db2.gz VYLZFANPYFVLIC-UHFFFAOYSA-N 0 0 316.379 0.460 50 0 DCAARN O=S(=O)(Cc1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000004390082 181106641 /nfs/dbraw/zinc/10/66/41/181106641.db2.gz YDAFJEUFNUZORA-MNOVXSKESA-N 0 0 324.807 0.413 50 0 DCAARN COc1ccc(N2C[C@H](NC(=O)NCCO)CC2=O)cc1OC ZINC000004479772 181112747 /nfs/dbraw/zinc/11/27/47/181112747.db2.gz QLTZFCLXVGNYJV-SNVBAGLBSA-N 0 0 323.349 0.101 50 0 DCAARN CC(C)C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 ZINC000004583331 181127208 /nfs/dbraw/zinc/12/72/08/181127208.db2.gz XXSJWCQUBSBFOL-UHFFFAOYSA-N 0 0 319.409 0.618 50 0 DCAARN N=C1C(=O)OC[C@@H]1c1ccccc1NC(=O)CN1CCOCC1 ZINC000004649578 181132299 /nfs/dbraw/zinc/13/22/99/181132299.db2.gz JGHCCFBSAPLVBE-GFCCVEGCSA-N 0 0 317.345 0.617 50 0 DCAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)NCC(=O)N1CCCC1 ZINC000073339017 191305882 /nfs/dbraw/zinc/30/58/82/191305882.db2.gz PRWWFCRAWYDQNU-UHFFFAOYSA-N 0 0 324.402 0.751 50 0 DCAARN CCOCCCNS(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000004733119 181144756 /nfs/dbraw/zinc/14/47/56/181144756.db2.gz LAOQDTQCAPZLSO-UHFFFAOYSA-N 0 0 300.380 0.799 50 0 DCAARN O=C(Cc1ccccc1O)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000332396037 234905134 /nfs/dbraw/zinc/90/51/34/234905134.db2.gz LORCRJCHEAZVJS-CQSZACIVSA-N 0 0 316.361 0.882 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)c3c[nH]cc(C)c3=O)CCO2)o1 ZINC000332379632 234882833 /nfs/dbraw/zinc/88/28/33/234882833.db2.gz YLFHRGIOHKDYBH-NSHDSACASA-N 0 0 318.333 0.842 50 0 DCAARN CCNC(=O)C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1CCOC ZINC000005028464 181192254 /nfs/dbraw/zinc/19/22/54/181192254.db2.gz VSOBJSGDSDGSQR-CYBMUJFWSA-N 0 0 319.361 0.996 50 0 DCAARN O=C(NCc1cccnc1)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000005352931 181233984 /nfs/dbraw/zinc/23/39/84/181233984.db2.gz BSTGSKRVQOKMNP-ZDUSSCGKSA-N 0 0 319.361 0.500 50 0 DCAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(N)=O ZINC000005428187 181242204 /nfs/dbraw/zinc/24/22/04/181242204.db2.gz VKKLRDVNTWOUBS-ZCFIWIBFSA-N 0 0 307.274 0.714 50 0 DCAARN COCCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000005439035 181242827 /nfs/dbraw/zinc/24/28/27/181242827.db2.gz JWGAOWBMDCXBSL-UHFFFAOYSA-N 0 0 312.391 0.993 50 0 DCAARN C[C@H]1CCCN(S(=O)(=O)NCCc2nnc3ccccn32)C1 ZINC000081064025 192222644 /nfs/dbraw/zinc/22/26/44/192222644.db2.gz FCBUIWUPCPLEPJ-LBPRGKRZSA-N 0 0 323.422 0.838 50 0 DCAARN O=C(CNC(=O)c1ccccc1)OCC(=O)N1CCCC1=O ZINC000005715960 181276419 /nfs/dbraw/zinc/27/64/19/181276419.db2.gz IMHJMTGSIILPAN-UHFFFAOYSA-N 0 0 304.302 0.109 50 0 DCAARN CCN1C(=O)C(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O ZINC000005878431 181292431 /nfs/dbraw/zinc/29/24/31/181292431.db2.gz XTYIGZXIVPEUOQ-UHFFFAOYSA-N 0 0 321.308 0.295 50 0 DCAARN COc1cc(CNn2cn[nH]c2=S)ccc1OCC(N)=O ZINC000005910490 181295999 /nfs/dbraw/zinc/29/59/99/181295999.db2.gz YWPUFSVZYWJOQI-UHFFFAOYSA-N 0 0 309.351 0.557 50 0 DCAARN CCNC(=O)CN1CCCN(C(=O)c2cc(CC)ccn2)CC1 ZINC000180773375 199207358 /nfs/dbraw/zinc/20/73/58/199207358.db2.gz SAZPIRNWZVHAOF-UHFFFAOYSA-N 0 0 318.421 0.928 50 0 DCAARN O=C(NCCC[C@@H]1CCCCO1)N1CCS(=O)(=O)CC1 ZINC000186610530 199981670 /nfs/dbraw/zinc/98/16/70/199981670.db2.gz JUVZNUKJAOFOKO-LBPRGKRZSA-N 0 0 304.412 0.776 50 0 DCAARN Cc1cc(Br)cc(S(=O)(=O)N[C@@H](C)C(N)=O)c1 ZINC000186897452 200028698 /nfs/dbraw/zinc/02/86/98/200028698.db2.gz RFCKJZOFIAMGRQ-ZETCQYMHSA-N 0 0 321.196 0.910 50 0 DCAARN CCN(C)C(=O)[C@@H](C)NC(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000187952534 200182426 /nfs/dbraw/zinc/18/24/26/200182426.db2.gz QJJXQGDQINUJQH-GFCCVEGCSA-N 0 0 322.413 0.119 50 0 DCAARN COCc1noc(CN2CCN(Cc3cncs3)CC2)n1 ZINC000188794445 200304477 /nfs/dbraw/zinc/30/44/77/200304477.db2.gz DVONAUDQKLAXEB-UHFFFAOYSA-N 0 0 309.395 0.990 50 0 DCAARN CC(C)C(=O)NCCN(C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000157656802 291229288 /nfs/dbraw/zinc/22/92/88/291229288.db2.gz CNURVWWNFOLRTP-CYBMUJFWSA-N 0 0 307.398 0.229 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000006052070 181308563 /nfs/dbraw/zinc/30/85/63/181308563.db2.gz JTWYPNOWQYYELW-KOLCDFICSA-N 0 0 319.766 0.637 50 0 DCAARN COC(=O)[C@@H](C)NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000006071450 291236174 /nfs/dbraw/zinc/23/61/74/291236174.db2.gz VFSGAXLCYJEFEL-UTUOFQBUSA-N 0 0 319.361 0.539 50 0 DCAARN Cc1cc(C)n2nc(SCC3N=NC(=S)N3N)nc2n1 ZINC000006167631 181317191 /nfs/dbraw/zinc/31/71/91/181317191.db2.gz DNJPBZRCFWPMFD-UHFFFAOYSA-N 0 0 308.396 0.627 50 0 DCAARN C[C@@H](CCCO)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000089895411 192898227 /nfs/dbraw/zinc/89/82/27/192898227.db2.gz VKIGDPROYNAVBQ-JTQLQIEISA-N 0 0 321.420 0.529 50 0 DCAARN CCOc1ncccc1C(=O)N[C@H]1CCc2n[nH]c(=O)cc2C1 ZINC000244933169 202510472 /nfs/dbraw/zinc/51/04/72/202510472.db2.gz CETONWTTXYWUHW-NSHDSACASA-N 0 0 314.345 0.851 50 0 DCAARN COc1ccc(C(=O)NCc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000006661739 181367181 /nfs/dbraw/zinc/36/71/81/181367181.db2.gz AFPWNOXPJDIJKH-UHFFFAOYSA-N 0 0 303.318 0.023 50 0 DCAARN Cc1ccnn1CC(=O)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000006789985 181389165 /nfs/dbraw/zinc/38/91/65/181389165.db2.gz DNEVYNDWTKTTJM-LLVKDONJSA-N 0 0 308.235 0.999 50 0 DCAARN CCS(=O)(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 ZINC000091351139 193045490 /nfs/dbraw/zinc/04/54/90/193045490.db2.gz QKFVRFSUECKDNO-GXTWGEPZSA-N 0 0 323.418 0.968 50 0 DCAARN NC(=O)N1CCC[C@@H](C(=O)NCc2noc(-c3ccco3)n2)C1 ZINC000091551801 193072965 /nfs/dbraw/zinc/07/29/65/193072965.db2.gz LKRXPNWDMFULBU-SECBINFHSA-N 0 0 319.321 0.737 50 0 DCAARN COc1ccc2c(c1)OC[C@H](CNC(=O)CN1CCOCC1)C2 ZINC000091474648 193061379 /nfs/dbraw/zinc/06/13/79/193061379.db2.gz HOHCHRBODLIRKW-ZDUSSCGKSA-N 0 0 320.389 0.695 50 0 DCAARN Cc1nc(C)n(CCNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)n1 ZINC000091657106 193085890 /nfs/dbraw/zinc/08/58/90/193085890.db2.gz GDCZERGVIHXRSU-ZDUSSCGKSA-N 0 0 319.409 0.802 50 0 DCAARN Cc1cccnc1NCCNC(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000091756844 193102904 /nfs/dbraw/zinc/10/29/04/193102904.db2.gz HUSWAFOVLFHBPE-LBPRGKRZSA-N 0 0 302.378 0.929 50 0 DCAARN CN1C(=O)[C@@H](CC(=O)NCCCc2ccccn2)N(C)C1=O ZINC000091794348 193109476 /nfs/dbraw/zinc/10/94/76/193109476.db2.gz CEOAUEACJNZMPT-GFCCVEGCSA-N 0 0 304.350 0.413 50 0 DCAARN CCn1nc(CC(C)C)cc1C(=O)N1CCNC(=O)[C@@H]1CCO ZINC000091809059 193110937 /nfs/dbraw/zinc/11/09/37/193110937.db2.gz HURXHHQOKXIXEJ-ZDUSSCGKSA-N 0 0 322.409 0.425 50 0 DCAARN CC(C)=CC[C@]1(CO)CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000091830227 193114830 /nfs/dbraw/zinc/11/48/30/193114830.db2.gz LJMYOTCUOBBHBY-QGZVFWFLSA-N 0 0 323.437 0.376 50 0 DCAARN Cc1nc(C[N@H+]2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)[O-])C2)co1 ZINC000091914673 193125723 /nfs/dbraw/zinc/12/57/23/193125723.db2.gz RIAAGQLNJKVAAE-NHYWBVRUSA-N 0 0 322.365 0.483 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2[nH]c3ccccc3c2=O)CC[C@]1(C)O ZINC000091997888 193139531 /nfs/dbraw/zinc/13/95/31/193139531.db2.gz SKLMJPZIVHCHMW-BZNIZROVSA-N 0 0 303.362 0.949 50 0 DCAARN O=C1OC[C@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3)CCN12 ZINC000493311952 241148672 /nfs/dbraw/zinc/14/86/72/241148672.db2.gz ISIVXSFROLLXHF-MRVPVSSYSA-N 0 0 318.301 0.790 50 0 DCAARN O=C(NCc1nc(-c2cnccn2)n[nH]1)c1ccc2c(c1)OCO2 ZINC000216537247 201495479 /nfs/dbraw/zinc/49/54/79/201495479.db2.gz GJYJDWFPUQFHNY-UHFFFAOYSA-N 0 0 324.300 0.920 50 0 DCAARN Cc1nn(CC(=O)NC2CC2)c(C)c1S(=O)(=O)N(C)C ZINC000007024173 181432565 /nfs/dbraw/zinc/43/25/65/181432565.db2.gz TUOQVHOTUUWIJG-UHFFFAOYSA-N 0 0 300.384 0.029 50 0 DCAARN COC(=O)N[C@@H](C)C(=O)NCCSc1nnc(C)s1 ZINC000220456090 201576372 /nfs/dbraw/zinc/57/63/72/201576372.db2.gz CJQNDIQJSCJLDH-LURJTMIESA-N 0 0 304.397 0.799 50 0 DCAARN O=C(CN1CCOC1=O)N1CCC(Oc2cccnc2)CC1 ZINC000223588987 201650263 /nfs/dbraw/zinc/65/02/63/201650263.db2.gz RSTLJOSNIMRGNE-UHFFFAOYSA-N 0 0 305.334 0.904 50 0 DCAARN CN(C)C(=O)CSc1n[nH]c(=O)n1CCc1ccccc1 ZINC000007345959 181456850 /nfs/dbraw/zinc/45/68/50/181456850.db2.gz IWGIJSNQGSIQMV-UHFFFAOYSA-N 0 0 306.391 0.994 50 0 DCAARN CC[C@@](NC(=O)c1ccc2c(c1)nnn2C)(C(N)=O)C(C)C ZINC000096005973 193487495 /nfs/dbraw/zinc/48/74/95/193487495.db2.gz RPRGIKPPJOZSPZ-HNNXBMFYSA-N 0 0 303.366 0.988 50 0 DCAARN CCS(=O)(=O)NCCN(C)Cc1nc2ccccc2n1C ZINC000096459533 193656486 /nfs/dbraw/zinc/65/64/86/193656486.db2.gz FAECTIWKXSEBPW-UHFFFAOYSA-N 0 0 310.423 0.944 50 0 DCAARN CC(C)CNC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000008776604 181585493 /nfs/dbraw/zinc/58/54/93/181585493.db2.gz GBGLXROOCFYTDY-CYBMUJFWSA-N 0 0 303.362 0.922 50 0 DCAARN COC(=O)c1ccccc1NC(=O)CCN1C(=O)CCC1=O ZINC000011637708 181696821 /nfs/dbraw/zinc/69/68/21/181696821.db2.gz BHKDCFCYNFZWSU-UHFFFAOYSA-N 0 0 304.302 0.951 50 0 DCAARN COc1cc(C(=O)N2CCNC(=O)[C@@H]2C)cc(OC)c1OC ZINC000011694202 181700081 /nfs/dbraw/zinc/70/00/81/181700081.db2.gz HMKGVSKCSONNNG-VIFPVBQESA-N 0 0 308.334 0.673 50 0 DCAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000012321058 181749162 /nfs/dbraw/zinc/74/91/62/181749162.db2.gz VSAJXUJINRUNGP-UHFFFAOYSA-N 0 0 303.767 0.973 50 0 DCAARN O=C(CN1CCOCC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000012683096 181787982 /nfs/dbraw/zinc/78/79/82/181787982.db2.gz CCNFTPDQYSPGEV-UHFFFAOYSA-N 0 0 321.333 0.438 50 0 DCAARN C[C@H](OC(=O)c1cccnc1N)C(=O)NC(=O)NC1CCCC1 ZINC000012865874 181804781 /nfs/dbraw/zinc/80/47/81/181804781.db2.gz CVDSACAHNYDIOU-VIFPVBQESA-N 0 0 320.349 0.978 50 0 DCAARN O=C(C[C@H]1N=C(N2CCOCC2)NC1=O)NCc1ccccc1 ZINC000013728628 181885005 /nfs/dbraw/zinc/88/50/05/181885005.db2.gz LODIWWLQSHJNMY-CYBMUJFWSA-N 0 0 316.361 0.720 50 0 DCAARN COC(=O)[C@@H](C)OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000014186232 181934291 /nfs/dbraw/zinc/93/42/91/181934291.db2.gz VNMNYQSBJZSUAO-DTWKUNHWSA-N 0 0 305.286 0.776 50 0 DCAARN COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccn(C)n1 ZINC000014899670 181975084 /nfs/dbraw/zinc/97/50/84/181975084.db2.gz XOFOWMRVZCZOAV-UHFFFAOYSA-N 0 0 310.335 0.328 50 0 DCAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NC3CC3)[C@H]4C2=O)no1 ZINC000015905473 182023593 /nfs/dbraw/zinc/02/35/93/182023593.db2.gz QNXVVHRREVQGSO-QOFRNUMZSA-N 0 0 315.329 0.548 50 0 DCAARN CCOC(=O)COc1ccccc1/C=C1\NC(=S)NC1=O ZINC000016667263 182056595 /nfs/dbraw/zinc/05/65/95/182056595.db2.gz SNJVQSXBPOZGEW-YFHOEESVSA-N 0 0 306.343 0.974 50 0 DCAARN CN1C(=O)C(=C(N)COc2ccc(Cl)cc2)C(=O)N(C)C1=O ZINC000018037081 182090225 /nfs/dbraw/zinc/09/02/25/182090225.db2.gz FEBBMEJPQNXZKF-UHFFFAOYSA-N 0 0 323.736 0.982 50 0 DCAARN O=S(=O)(NCCN1CCOCC1)c1ccc(Cl)cc1 ZINC000019681286 182135831 /nfs/dbraw/zinc/13/58/31/182135831.db2.gz WQTTXECDLSXCRT-UHFFFAOYSA-N 0 0 304.799 0.951 50 0 DCAARN CC(=O)c1ccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)cc1 ZINC000019790348 182149224 /nfs/dbraw/zinc/14/92/24/182149224.db2.gz HBLOCZOAQPENRO-AWEZNQCLSA-N 0 0 302.330 0.853 50 0 DCAARN CC1=C(C(=O)N2CCC[C@@H](Cn3cc(CO)nn3)C2)OCCO1 ZINC000019794615 182149939 /nfs/dbraw/zinc/14/99/39/182149939.db2.gz PQTUPGRHMUUVJE-GFCCVEGCSA-N 0 0 322.365 0.287 50 0 DCAARN CCOC(=O)N1CCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CC1 ZINC000019937487 182167131 /nfs/dbraw/zinc/16/71/31/182167131.db2.gz PLBFJWVEDXAGBT-UHFFFAOYSA-N 0 0 322.365 0.230 50 0 DCAARN O=C(CCN1CCOCC1)NC[C@@H]1COc2ccccc2O1 ZINC000020033382 182182328 /nfs/dbraw/zinc/18/23/28/182182328.db2.gz QYWMZEWUJPUDIM-CYBMUJFWSA-N 0 0 306.362 0.665 50 0 DCAARN COc1ccccc1NC(=O)C[C@H]([NH2+]CCN(C)C)C(=O)[O-] ZINC000020362811 182211573 /nfs/dbraw/zinc/21/15/73/182211573.db2.gz JUHRKQCWPGLEAC-LBPRGKRZSA-N 0 0 309.366 0.628 50 0 DCAARN CN1CCN(C(=S)C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000020472711 182221879 /nfs/dbraw/zinc/22/18/79/182221879.db2.gz DCNKFUSDICRRGW-UHFFFAOYSA-N 0 0 321.402 0.606 50 0 DCAARN CN(CC(=O)NCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000020678694 182243243 /nfs/dbraw/zinc/24/32/43/182243243.db2.gz WRXCEXSUPMTBKE-ZDUSSCGKSA-N 0 0 314.382 0.561 50 0 DCAARN COc1ccc2c(ccn2CC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000020733158 182245194 /nfs/dbraw/zinc/24/51/94/182245194.db2.gz IYEWPAXTWVXLPG-LBPRGKRZSA-N 0 0 322.386 0.953 50 0 DCAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000021038273 182263045 /nfs/dbraw/zinc/26/30/45/182263045.db2.gz KYIZJYZDGXFPPT-UHFFFAOYSA-N 0 0 308.338 0.463 50 0 DCAARN CC[C@@H](C(=O)NCCCOC)N1c2cc(C)nn2CCC1=O ZINC000020943537 182255739 /nfs/dbraw/zinc/25/57/39/182255739.db2.gz QPXKBUUANPHXDI-LBPRGKRZSA-N 0 0 308.382 0.860 50 0 DCAARN Cn1c2ccccc2n(CC(=O)NCc2ccccn2)c(=O)c1=O ZINC000021943585 182299804 /nfs/dbraw/zinc/29/98/04/182299804.db2.gz AWPHNCLWVCIRBR-UHFFFAOYSA-N 0 0 324.340 0.412 50 0 DCAARN C[C@@H]1CN(CC(=O)Nc2ccccc2SCC(N)=O)CCO1 ZINC000022373555 182320270 /nfs/dbraw/zinc/32/02/70/182320270.db2.gz FMFFUMSUEDHHAX-LLVKDONJSA-N 0 0 323.418 0.923 50 0 DCAARN Cc1csc(=O)n1CC(=O)OCC(=O)NCc1ccco1 ZINC000022370916 182320454 /nfs/dbraw/zinc/32/04/54/182320454.db2.gz OICJHMPDKOZBPN-UHFFFAOYSA-N 0 0 310.331 0.671 50 0 DCAARN COc1ccc(NC(=O)C[C@@H](C(=O)[O-])[NH+]2CCN(C)CC2)cc1 ZINC000022466386 182322949 /nfs/dbraw/zinc/32/29/49/182322949.db2.gz QSFZBPFTSIHQAT-AWEZNQCLSA-N 0 0 321.377 0.724 50 0 DCAARN CNC(=O)CSc1nnc(N2CCN(C(C)=O)CC2)s1 ZINC000023141692 182350892 /nfs/dbraw/zinc/35/08/92/182350892.db2.gz LGEBHZBUISAXBZ-UHFFFAOYSA-N 0 0 315.424 0.045 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)OC(=O)CN(C)c2ncccn2)no1 ZINC000023173600 182352663 /nfs/dbraw/zinc/35/26/63/182352663.db2.gz ZEGYKVWZFNLYNV-JTQLQIEISA-N 0 0 319.321 0.780 50 0 DCAARN Cc1noc(COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)n1 ZINC000023382074 182359326 /nfs/dbraw/zinc/35/93/26/182359326.db2.gz WJGFKRYRHAQBJI-NXEZZACHSA-N 0 0 305.290 0.372 50 0 DCAARN Cc1ccc(CNC(=O)Cn2nnc3ccccc3c2=O)n1C ZINC000023575941 182363982 /nfs/dbraw/zinc/36/39/82/182363982.db2.gz CIYBYJDYBQAQDO-UHFFFAOYSA-N 0 0 311.345 0.755 50 0 DCAARN CNC(=O)C1CCN([C@H](C(=O)NC(N)=O)c2ccccc2)CC1 ZINC000024781915 182390636 /nfs/dbraw/zinc/39/06/36/182390636.db2.gz WAQLILBBKHHBAZ-ZDUSSCGKSA-N 0 0 318.377 0.381 50 0 DCAARN O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc2c(c1)NC(=O)CO2 ZINC000024345535 182379244 /nfs/dbraw/zinc/37/92/44/182379244.db2.gz FVWYBUJLALXGIQ-SECBINFHSA-N 0 0 324.358 0.781 50 0 DCAARN Cc1cc(F)ccc1NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000024650024 182385987 /nfs/dbraw/zinc/38/59/87/182385987.db2.gz ZSEPENNFERHCJG-UHFFFAOYSA-N 0 0 315.370 0.988 50 0 DCAARN CC(=O)C[C@@H]1COCCN1S(=O)(=O)Cc1cc(C)on1 ZINC000274508322 211676138 /nfs/dbraw/zinc/67/61/38/211676138.db2.gz WLRNBKXPVFTTTJ-GFCCVEGCSA-N 0 0 302.352 0.493 50 0 DCAARN Cc1ccc(NC(=O)N[C@H](C)CO)cc1NC(=O)N[C@@H](C)CO ZINC000032779574 182663315 /nfs/dbraw/zinc/66/33/15/182663315.db2.gz HSDWQNBWRAIATL-MNOVXSKESA-N 0 0 324.381 1.000 50 0 DCAARN CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(-n2cnnn2)cc1 ZINC000032879681 182674326 /nfs/dbraw/zinc/67/43/26/182674326.db2.gz VKYGNDBFHYTCJS-UHFFFAOYSA-N 0 0 316.365 0.649 50 0 DCAARN O=S(=O)(/C=C\c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000033395866 182708662 /nfs/dbraw/zinc/70/86/62/182708662.db2.gz HJZWFMSWPHKQTD-OJIASSBASA-N 0 0 301.389 0.764 50 0 DCAARN CC(=O)c1ccccc1NC(=O)CN1CCN(C(C)=O)CC1 ZINC000036389707 182822545 /nfs/dbraw/zinc/82/25/45/182822545.db2.gz MSSMMKVXXCAUQV-UHFFFAOYSA-N 0 0 303.362 0.992 50 0 DCAARN O=C(CCn1c(=O)oc2ccccc21)N1CCN(CCO)CC1 ZINC000038984010 183013508 /nfs/dbraw/zinc/01/35/08/183013508.db2.gz XJLSXZOOHKSCEY-UHFFFAOYSA-N 0 0 319.361 0.121 50 0 DCAARN Cn1nc(C(=O)NCc2cc(-c3ccco3)on2)ccc1=O ZINC000038754520 183008562 /nfs/dbraw/zinc/00/85/62/183008562.db2.gz WTBCIVHKBLVDMW-UHFFFAOYSA-N 0 0 300.274 0.958 50 0 DCAARN O=C(NCCOc1cc(N2CCOCC2)ncn1)C1CCCC1 ZINC000038908509 183012915 /nfs/dbraw/zinc/01/29/15/183012915.db2.gz QKJXVFBPAQMISQ-UHFFFAOYSA-N 0 0 320.393 0.998 50 0 DCAARN COC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(=O)OC ZINC000039933018 183023326 /nfs/dbraw/zinc/02/33/26/183023326.db2.gz OHXSIGBKWOVIGV-UHFFFAOYSA-N 0 0 305.290 0.908 50 0 DCAARN CC[C@@](C)(CNC(=O)Cn1ccccc1=O)N1CCOCC1 ZINC000040089361 183032634 /nfs/dbraw/zinc/03/26/34/183032634.db2.gz YEKIQKAYOWVLMY-INIZCTEOSA-N 0 0 307.394 0.465 50 0 DCAARN CC(C)(C)OC(=O)NCCNC(=O)C(=O)Nc1cccc(O)c1 ZINC000040288200 183052338 /nfs/dbraw/zinc/05/23/38/183052338.db2.gz IMUDOBGIMRYMSA-UHFFFAOYSA-N 0 0 323.349 0.972 50 0 DCAARN O[C@@H](COC[C@@H]1CCCO1)CN1CCN(c2ncccn2)CC1 ZINC000040459274 183069939 /nfs/dbraw/zinc/06/99/39/183069939.db2.gz CUQYVDZAWARQTN-CABCVRRESA-N 0 0 322.409 0.155 50 0 DCAARN CS(=O)(=O)NC1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000040484993 183077265 /nfs/dbraw/zinc/07/72/65/183077265.db2.gz CBLQVZWAUJEPQY-ZDUSSCGKSA-N 0 0 311.407 0.227 50 0 DCAARN C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(=O)[nH]c2)C[C@@H](C)O1 ZINC000040489227 183079419 /nfs/dbraw/zinc/07/94/19/183079419.db2.gz BGLPOGLYAJILTC-VXGBXAGGSA-N 0 0 307.394 0.993 50 0 DCAARN O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)Nc1cccnc1 ZINC000040490226 183079642 /nfs/dbraw/zinc/07/96/42/183079642.db2.gz MRONVTYCXJVCEC-ZFWWWQNUSA-N 0 0 320.393 0.940 50 0 DCAARN CS(=O)(=O)N1CCC[C@H](C(=O)N=c2[nH]c3ccccc3[nH]2)C1 ZINC000040494344 183080556 /nfs/dbraw/zinc/08/05/56/183080556.db2.gz ZNMMROYIUOFRQB-JTQLQIEISA-N 0 0 322.390 0.595 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000040498458 183082862 /nfs/dbraw/zinc/08/28/62/183082862.db2.gz FCLBGZPEMVNXKV-UHFFFAOYSA-N 0 0 324.402 0.775 50 0 DCAARN CC1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)CC1 ZINC000040501753 183083241 /nfs/dbraw/zinc/08/32/41/183083241.db2.gz ZIJFHBKHLWEAAZ-CYBMUJFWSA-N 0 0 315.439 0.706 50 0 DCAARN C[C@@H]1CCCN(S(=O)(=O)NCc2ccc(C(N)=O)cc2)C1 ZINC000040501558 183083829 /nfs/dbraw/zinc/08/38/29/183083829.db2.gz FZNVYJNKCZZQMX-LLVKDONJSA-N 0 0 311.407 0.852 50 0 DCAARN CN(C)C(=O)c1ccc(OCc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000040520308 183090357 /nfs/dbraw/zinc/09/03/57/183090357.db2.gz ILNNUVDSKQEQJE-UHFFFAOYSA-N 0 0 317.345 0.365 50 0 DCAARN Cn1cc(S(=O)(=O)NCc2nnc3n2CCCCC3)cn1 ZINC000040528067 183093519 /nfs/dbraw/zinc/09/35/19/183093519.db2.gz PKVZOOIUBIWLHX-UHFFFAOYSA-N 0 0 310.383 0.217 50 0 DCAARN CN(Cc1cnn(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000040540092 183097150 /nfs/dbraw/zinc/09/71/50/183097150.db2.gz ZPELCLIOHQANHI-CQSZACIVSA-N 0 0 306.391 0.886 50 0 DCAARN Cn1c(=O)ccn(CC(=O)NCCc2c(F)cccc2F)c1=O ZINC000040553994 183100941 /nfs/dbraw/zinc/10/09/41/183100941.db2.gz NNLVDGIHNDJDDH-UHFFFAOYSA-N 0 0 323.299 0.184 50 0 DCAARN C[C@]1(C(=O)NCCn2cccn2)Oc2ccccc2NC1=O ZINC000040776581 183132074 /nfs/dbraw/zinc/13/20/74/183132074.db2.gz UAPLAXOBFXXCEX-OAHLLOKOSA-N 0 0 300.318 0.789 50 0 DCAARN COC(=O)CCNC(=O)CCNC(=O)c1ccc(OC)cc1 ZINC000041097882 183165506 /nfs/dbraw/zinc/16/55/06/183165506.db2.gz OTKFVPRHHQRDBW-UHFFFAOYSA-N 0 0 308.334 0.494 50 0 DCAARN Cc1ccc(CNC(=O)C(=O)Nc2cccc(C(N)=O)c2)cn1 ZINC000041827040 183222180 /nfs/dbraw/zinc/22/21/80/183222180.db2.gz DSPMZWDGHYNRIK-UHFFFAOYSA-N 0 0 312.329 0.744 50 0 DCAARN COCCCNC(=O)c1nc(N2CCOCC2)ncc1Cl ZINC000042127471 183234152 /nfs/dbraw/zinc/23/41/52/183234152.db2.gz ZZXGVNUWKXICCH-UHFFFAOYSA-N 0 0 314.773 0.733 50 0 DCAARN Cc1nc(CN2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)cs1 ZINC000042360730 183258132 /nfs/dbraw/zinc/25/81/32/183258132.db2.gz HZSVQQDYDCNJSA-LBPRGKRZSA-N 0 0 322.434 0.574 50 0 DCAARN Cn1ncc2c1ncn(C[C@@H](O)COc1ccc(F)cc1)c2=O ZINC000042758205 183306173 /nfs/dbraw/zinc/30/61/73/183306173.db2.gz ZVMAUBIMYMHWNK-LLVKDONJSA-N 0 0 318.308 0.709 50 0 DCAARN O=C(NCCCOCc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000042659137 183294418 /nfs/dbraw/zinc/29/44/18/183294418.db2.gz ZZQKWRUIRWPGLB-NSHDSACASA-N 0 0 301.364 0.737 50 0 DCAARN O=C(NCCNc1ccccn1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000043783395 183385774 /nfs/dbraw/zinc/38/57/74/183385774.db2.gz TYKLJFQHTPTMLN-NSHDSACASA-N 0 0 312.395 0.227 50 0 DCAARN Cc1cnc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)cn1 ZINC000044067360 183393824 /nfs/dbraw/zinc/39/38/24/183393824.db2.gz CQEQWYGFJQCIMD-UHFFFAOYSA-N 0 0 306.347 0.826 50 0 DCAARN C[C@H]1CCCCN1S(=O)(=O)NCCCN1CCCC1=O ZINC000044910704 183455329 /nfs/dbraw/zinc/45/53/29/183455329.db2.gz WEPZPVCVLPQGKG-LBPRGKRZSA-N 0 0 303.428 0.708 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000044934105 183460603 /nfs/dbraw/zinc/46/06/03/183460603.db2.gz NIXRNUJLQQUWJU-UWVGGRQHSA-N 0 0 318.299 0.799 50 0 DCAARN O=C1NCCCC[C@@H]1NS(=O)(=O)N1CCc2ccccc2C1 ZINC000044935856 183461495 /nfs/dbraw/zinc/46/14/95/183461495.db2.gz FWGRYIRYVMERCR-AWEZNQCLSA-N 0 0 323.418 0.548 50 0 DCAARN CN(CCOc1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000044891110 183448243 /nfs/dbraw/zinc/44/82/43/183448243.db2.gz XUUWCQXNBBVUGG-LBPRGKRZSA-N 0 0 312.391 0.894 50 0 DCAARN COC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000045905237 183535233 /nfs/dbraw/zinc/53/52/33/183535233.db2.gz MWNZAQOJNHLMFA-LLVKDONJSA-N 0 0 319.361 0.498 50 0 DCAARN CN1C[C@H](C(=O)NCC2(N3CCOCC3)CCCCC2)CC1=O ZINC000046143603 183554109 /nfs/dbraw/zinc/55/41/09/183554109.db2.gz NLGIDRKJJAORNY-CQSZACIVSA-N 0 0 323.437 0.616 50 0 DCAARN CS(=O)(=O)NCCNC(=O)/C=C/c1c(F)cccc1F ZINC000046574659 183564550 /nfs/dbraw/zinc/56/45/50/183564550.db2.gz QMNOGHTYCIMTNK-AATRIKPKSA-N 0 0 304.318 0.643 50 0 DCAARN NC(=O)[C@H]1CN(C(=O)COc2ccc3ccccc3c2)CCO1 ZINC000050858929 183806847 /nfs/dbraw/zinc/80/68/47/183806847.db2.gz BHTSATIJEWPCOS-OAHLLOKOSA-N 0 0 314.341 0.931 50 0 DCAARN COC(=O)CCCN(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000051768904 183835806 /nfs/dbraw/zinc/83/58/06/183835806.db2.gz WUYYZFJVQRQFKG-PHIMTYICSA-N 0 0 308.400 0.225 50 0 DCAARN Cc1noc([C@@H](C)N2CCN(C(=O)CCn3cccn3)CC2)n1 ZINC000110890478 194366853 /nfs/dbraw/zinc/36/68/53/194366853.db2.gz PJGDZIWFNJILRW-GFCCVEGCSA-N 0 0 318.381 0.870 50 0 DCAARN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CCn1cncn1 ZINC000056272454 184008706 /nfs/dbraw/zinc/00/87/06/184008706.db2.gz SOGJXGFAXPKFLH-CQSZACIVSA-N 0 0 316.361 0.959 50 0 DCAARN CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 ZINC000057279498 184031361 /nfs/dbraw/zinc/03/13/61/184031361.db2.gz UWMIFVVHSHHTRS-UHFFFAOYSA-N 0 0 323.378 0.809 50 0 DCAARN COCCNC(=O)c1cc(OCC(=O)N2CCCCC2)n(C)n1 ZINC000057312725 184033071 /nfs/dbraw/zinc/03/30/71/184033071.db2.gz NKXYDQPVEFBCEP-UHFFFAOYSA-N 0 0 324.381 0.188 50 0 DCAARN CCc1nnsc1C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000058054889 184071789 /nfs/dbraw/zinc/07/17/89/184071789.db2.gz LFNICFRSOUZGBY-UHFFFAOYSA-N 0 0 318.424 0.254 50 0 DCAARN CN(C)c1cccc(C(=O)NCCN2CCCS2(=O)=O)c1 ZINC000058370441 184109801 /nfs/dbraw/zinc/10/98/01/184109801.db2.gz UJZYAUYPKYMABY-UHFFFAOYSA-N 0 0 311.407 0.518 50 0 DCAARN CCCCS(=O)(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000058390944 184111465 /nfs/dbraw/zinc/11/14/65/184111465.db2.gz KYSGNWBJYOXOEO-CYBMUJFWSA-N 0 0 319.471 0.649 50 0 DCAARN CC(C)(C)NC(=O)CN1C(=O)c2ccccc2CS1(=O)=O ZINC000058290117 184101120 /nfs/dbraw/zinc/10/11/20/184101120.db2.gz ZTYVOKFXMPFEJT-UHFFFAOYSA-N 0 0 310.375 0.887 50 0 DCAARN CCN(C(=O)CN1C(=O)c2ccccc2CS1(=O)=O)C1CC1 ZINC000058292739 184101265 /nfs/dbraw/zinc/10/12/65/184101265.db2.gz BGIMOPIXIJDABT-UHFFFAOYSA-N 0 0 322.386 0.983 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C ZINC000058323146 184105011 /nfs/dbraw/zinc/10/50/11/184105011.db2.gz CGDXUPDQMJSJJD-OLZOCXBDSA-N 0 0 311.426 0.960 50 0 DCAARN C[C@H](NC(=O)C1=Cc2ccccc2OC1)C(=O)N1CCOCC1 ZINC000058417969 184115171 /nfs/dbraw/zinc/11/51/71/184115171.db2.gz BYJSXKGJQYEJGP-LBPRGKRZSA-N 0 0 316.357 0.826 50 0 DCAARN CC(=O)NCCNC(=O)C(C)(C)c1ccc2c(c1)OCCO2 ZINC000060480186 184150095 /nfs/dbraw/zinc/15/00/95/184150095.db2.gz JNVXINXBLCUVSB-UHFFFAOYSA-N 0 0 306.362 0.988 50 0 DCAARN CCNC(=O)CN1CCN(C(=O)[C@H](OC)c2ccccc2)CC1 ZINC000061467781 184171531 /nfs/dbraw/zinc/17/15/31/184171531.db2.gz LOWKYHOJQUCLDL-MRXNPFEDSA-N 0 0 319.405 0.654 50 0 DCAARN O=C(NC1CC1)c1nc(Cn2cnc3ccccc3c2=O)no1 ZINC000064867902 184305317 /nfs/dbraw/zinc/30/53/17/184305317.db2.gz OLQPNGHENARUIW-UHFFFAOYSA-N 0 0 311.301 0.720 50 0 DCAARN CCn1cnnc1CCNc1nccc(N2CC[C@H](O)C2)n1 ZINC000065384649 184333508 /nfs/dbraw/zinc/33/35/08/184333508.db2.gz WZMLIFVMJGLCRA-NSHDSACASA-N 0 0 303.370 0.314 50 0 DCAARN CCn1c(=O)c(C(=O)N2CCN(C)CC2)nc2cccnc21 ZINC000065282716 184320801 /nfs/dbraw/zinc/32/08/01/184320801.db2.gz CZEFTYXVZCYZQU-UHFFFAOYSA-N 0 0 301.350 0.199 50 0 DCAARN COc1cccc(CNC(=O)N2CCN3CCNC(=O)[C@H]3C2)c1 ZINC000065376331 184331130 /nfs/dbraw/zinc/33/11/30/184331130.db2.gz WBXPZCPZQOTDNQ-CQSZACIVSA-N 0 0 318.377 0.021 50 0 DCAARN CCc1c(C)nn(CC(=O)N[C@@H]2C[C@@H](C(=O)OC)N(C)C2)c1C ZINC000065408631 184339381 /nfs/dbraw/zinc/33/93/81/184339381.db2.gz UBLIHJODRIBEFL-OCCSQVGLSA-N 0 0 322.409 0.424 50 0 DCAARN CC(C)N1C[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)CC1=O ZINC000065411679 184340573 /nfs/dbraw/zinc/34/05/73/184340573.db2.gz KLGSJNRSJXADSR-NSHDSACASA-N 0 0 313.398 0.884 50 0 DCAARN CC(=O)NCCNC(=O)C1CCN(c2nc(C)cs2)CC1 ZINC000065412457 184341002 /nfs/dbraw/zinc/34/10/02/184341002.db2.gz GKGKYNNSDVBFJF-UHFFFAOYSA-N 0 0 310.423 0.920 50 0 DCAARN CNC(=O)C1CCN(C(=O)c2cnn(C)c2-n2cccc2)CC1 ZINC000065449478 184346234 /nfs/dbraw/zinc/34/62/34/184346234.db2.gz PMVRINJAIQUXMD-UHFFFAOYSA-N 0 0 315.377 0.809 50 0 DCAARN NC(=O)[C@H](CNC(=O)c1cnsn1)Cc1ccc(F)cc1 ZINC000065463680 184349641 /nfs/dbraw/zinc/34/96/41/184349641.db2.gz WFUDBTYFRKPQGE-VIFPVBQESA-N 0 0 308.338 0.751 50 0 DCAARN COCCN1C[C@@H](C(=O)N(C)Cc2csc(C)n2)CC1=O ZINC000065488844 184353079 /nfs/dbraw/zinc/35/30/79/184353079.db2.gz UHEKTKRVBJGTHK-NSHDSACASA-N 0 0 311.407 0.905 50 0 DCAARN CCN(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCCN1C(C)C ZINC000065395317 184335429 /nfs/dbraw/zinc/33/54/29/184335429.db2.gz DOXXIFIEXOYLII-CYBMUJFWSA-N 0 0 321.425 0.368 50 0 DCAARN COc1cccc(C(=O)NCC2=CCCN(CC(N)=O)C2)c1 ZINC000065526650 184359792 /nfs/dbraw/zinc/35/97/92/184359792.db2.gz KDMLLDRIFSXYMZ-UHFFFAOYSA-N 0 0 303.362 0.542 50 0 DCAARN CCOCCO[C@@H](C)C(=O)NCCNC(=O)Cc1ccccc1 ZINC000065550936 184364633 /nfs/dbraw/zinc/36/46/33/184364633.db2.gz QYKHVXVYPDUMQU-AWEZNQCLSA-N 0 0 322.405 0.903 50 0 DCAARN CCN1CCc2ncnc(N(C)CC(=O)NCCOC)c2C1 ZINC000065584947 184368695 /nfs/dbraw/zinc/36/86/95/184368695.db2.gz CGZSRWXYFVMIQG-UHFFFAOYSA-N 0 0 307.398 0.053 50 0 DCAARN O=C(CN1CCC[C@@H]1c1cccc(F)c1)N1CCNC(=O)C1 ZINC000065520133 184358515 /nfs/dbraw/zinc/35/85/15/184358515.db2.gz VZUONVOHXJTNGO-CQSZACIVSA-N 0 0 305.353 0.921 50 0 DCAARN NC(=O)CCN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O ZINC000065611888 184373779 /nfs/dbraw/zinc/37/37/79/184373779.db2.gz ZZGJMPNZKISBPP-GFCCVEGCSA-N 0 0 315.251 0.871 50 0 DCAARN Cc1ccc2n[nH]c(C(=O)NCCS(=O)(=O)N(C)C)c2c1 ZINC000067817968 184486909 /nfs/dbraw/zinc/48/69/09/184486909.db2.gz JRJIHQCNJYWTGZ-UHFFFAOYSA-N 0 0 310.379 0.493 50 0 DCAARN O=C(N[C@H]1CCNC1=O)c1cc(COc2cccc(F)c2)n[nH]1 ZINC000067834249 184487857 /nfs/dbraw/zinc/48/78/57/184487857.db2.gz VQNJAKMEWFFZHK-LBPRGKRZSA-N 0 0 318.308 0.746 50 0 DCAARN COCCNS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000096005119 256551623 /nfs/dbraw/zinc/55/16/23/256551623.db2.gz DFXDGKWCRZRHHH-ZDUSSCGKSA-N 0 0 318.439 0.733 50 0 DCAARN C[C@@H]1O[C@H](Nc2ccc(Br)cc2)[C@H](O)[C@H](O)[C@@H]1O ZINC000245333875 256606782 /nfs/dbraw/zinc/60/67/82/256606782.db2.gz BOGJQGFKEAPGGK-XQFKGYICSA-N 0 0 318.167 0.689 50 0 DCAARN O=C(CCCn1cnnn1)Nc1ccc2c(c1)NC(=O)CO2 ZINC000524734647 257213475 /nfs/dbraw/zinc/21/34/75/257213475.db2.gz XXLFVPOEFRLDTN-UHFFFAOYSA-N 0 0 302.294 0.423 50 0 DCAARN Cc1cc(=O)c(OCC(=O)Nc2nnc(C(C)C)[nH]2)cn1C ZINC000524735048 257213687 /nfs/dbraw/zinc/21/36/87/257213687.db2.gz QODDOWIUAWZDSV-UHFFFAOYSA-N 0 0 305.338 0.953 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@]1(C)CC(C)(C)OC1=O ZINC000521394486 257240785 /nfs/dbraw/zinc/24/07/85/257240785.db2.gz VSHQCTGRZHCXHL-ZDUSSCGKSA-N 0 0 315.395 0.799 50 0 DCAARN CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1cncc(=O)[nH]1 ZINC000426602451 257245336 /nfs/dbraw/zinc/24/53/36/257245336.db2.gz KNJZJDTVSAGOHA-NSHDSACASA-N 0 0 318.377 0.633 50 0 DCAARN Cc1cc(C(=O)NCc2cnc3cnccn23)c(=O)n(C)c1C ZINC000426589915 257245982 /nfs/dbraw/zinc/24/59/82/257245982.db2.gz DKWOCDCDAVOFSX-UHFFFAOYSA-N 0 0 311.345 0.975 50 0 DCAARN C[C@@H](C(=O)NCCCNc1cccnc1)N1CCN(C)CC1 ZINC000426514667 257247474 /nfs/dbraw/zinc/24/74/74/257247474.db2.gz OEHKHRDHFHQZAM-AWEZNQCLSA-N 0 0 305.426 0.636 50 0 DCAARN CN1CCN(C(=O)Cc2nc3ccccc3[nH]2)C[C@H]1CCO ZINC000426503632 257248245 /nfs/dbraw/zinc/24/82/45/257248245.db2.gz XKFFPWQMDVLOML-GFCCVEGCSA-N 0 0 302.378 0.630 50 0 DCAARN COc1ncc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cn1 ZINC000426478683 257249417 /nfs/dbraw/zinc/24/94/17/257249417.db2.gz HFSAJXVTVGMTBF-GFCCVEGCSA-N 0 0 318.377 0.960 50 0 DCAARN Cc1ccc(C(=O)N2CCC3(COC(=O)O3)CC2)c(=O)n1C ZINC000426386908 257252536 /nfs/dbraw/zinc/25/25/36/257252536.db2.gz NLEAFHZFGPDDHJ-UHFFFAOYSA-N 0 0 306.318 0.835 50 0 DCAARN Cc1ccn2c(nnc2C(=O)N[C@H](C(=O)N(C)C)C(C)C)n1 ZINC000426371082 257253398 /nfs/dbraw/zinc/25/33/98/257253398.db2.gz OGHVTLUVRWTVJI-JTQLQIEISA-N 0 0 304.354 0.275 50 0 DCAARN O=C(NCc1ccon1)N1CCCN(c2ncccn2)CC1 ZINC000426376457 257253498 /nfs/dbraw/zinc/25/34/98/257253498.db2.gz SDMMPUMUZSPFSQ-UHFFFAOYSA-N 0 0 302.338 0.887 50 0 DCAARN COc1cc(CNC(=O)c2cccnc2)ccc1OCC(N)=O ZINC000071814857 184850306 /nfs/dbraw/zinc/85/03/06/184850306.db2.gz XBYMVVKGQXOEIJ-UHFFFAOYSA-N 0 0 315.329 0.884 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(C)nc2)CC1 ZINC000071882008 184886014 /nfs/dbraw/zinc/88/60/14/184886014.db2.gz MRFVAFYLIGFAEF-HNNXBMFYSA-N 0 0 307.394 0.545 50 0 DCAARN COc1cccc(CCNC(=O)CNC(=O)N(C)C)c1OC ZINC000299791977 533458449 /nfs/dbraw/zinc/45/84/49/533458449.db2.gz DCOJZQOJVWFWQV-UHFFFAOYSA-N 0 0 309.366 0.634 50 0 DCAARN COc1ccc(CNC(=O)CN2C(=O)CN(C)C2=O)cc1F ZINC000298487456 533580844 /nfs/dbraw/zinc/58/08/44/533580844.db2.gz HZLRHLJCWBGLCM-UHFFFAOYSA-N 0 0 309.297 0.345 50 0 DCAARN CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000275823352 130391939 /nfs/dbraw/zinc/39/19/39/130391939.db2.gz WFMBOPMHQSIXKF-CYBMUJFWSA-N 0 0 314.393 0.744 50 0 DCAARN Cc1n[nH]cc1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000285226785 131149811 /nfs/dbraw/zinc/14/98/11/131149811.db2.gz PPSNPAHPKOKZQQ-BFHYXJOUSA-N 0 0 308.382 0.790 50 0 DCAARN COCCNC(=O)CN1C(=O)COc2ccc(C(C)=O)cc21 ZINC000019960928 134641629 /nfs/dbraw/zinc/64/16/29/134641629.db2.gz DBVWDHAAMTUKAI-UHFFFAOYSA-N 0 0 306.318 0.377 50 0 DCAARN O=S1(=O)C[C@@H](O)[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020650555 134648767 /nfs/dbraw/zinc/64/87/67/134648767.db2.gz STXMHHKAALOWCT-ZIAGYGMSSA-N 0 0 314.382 0.106 50 0 DCAARN CN(CC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O ZINC000022606608 134656048 /nfs/dbraw/zinc/65/60/48/134656048.db2.gz GHZZJGXEHLPKOO-UHFFFAOYSA-N 0 0 311.407 0.227 50 0 DCAARN O=C(Nc1cccnc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000038719847 134707236 /nfs/dbraw/zinc/70/72/36/134707236.db2.gz HDANSPUSKLWVOT-UHFFFAOYSA-N 0 0 312.333 0.159 50 0 DCAARN CC[C@@H](C)NC(=O)Cn1ncc2c(c1=O)N(C)C(=O)CS2 ZINC000065132359 134817556 /nfs/dbraw/zinc/81/75/56/134817556.db2.gz LDXJWHFWVBHENY-MRVPVSSYSA-N 0 0 310.379 0.227 50 0 DCAARN CCC(CC)NC(=O)COC(=O)c1nc2nccc(C)n2n1 ZINC000008191312 395684220 /nfs/dbraw/zinc/68/42/20/395684220.db2.gz MYFZHKDQQHNGFM-UHFFFAOYSA-N 0 0 305.338 0.894 50 0 DCAARN COc1cccc(N2C[C@@H](C(=O)N3CCOCC3)CC2=O)c1 ZINC000008247513 395684258 /nfs/dbraw/zinc/68/42/58/395684258.db2.gz MKFJDPAEEZDHLX-LBPRGKRZSA-N 0 0 304.346 0.907 50 0 DCAARN Cn1c2ncn(CC(=O)OC3CCCCC3)c2c(=O)n(C)c1=O ZINC000008725652 395684917 /nfs/dbraw/zinc/68/49/17/395684917.db2.gz KRUCAFSBKSXIBW-UHFFFAOYSA-N 0 0 320.349 0.310 50 0 DCAARN C[C@@H](Sc1nc(N)nc(N)n1)C(=O)NCc1cccs1 ZINC000008750009 395684928 /nfs/dbraw/zinc/68/49/28/395684928.db2.gz WYJXCKFOKHWFCW-ZCFIWIBFSA-N 0 0 310.408 0.895 50 0 DCAARN CCN(CC)S(=O)(=O)c1c(C)nn(S(C)(=O)=O)c1C ZINC000008755063 395684940 /nfs/dbraw/zinc/68/49/40/395684940.db2.gz NBSNZMCWUYIAMT-UHFFFAOYSA-N 0 0 309.413 0.338 50 0 DCAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)Cn2cncn2)cc1 ZINC000008714442 395684943 /nfs/dbraw/zinc/68/49/43/395684943.db2.gz FSRWVBKQCJSFNR-JTQLQIEISA-N 0 0 323.378 0.604 50 0 DCAARN O=C(NC1CCCCC1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000008719209 395684947 /nfs/dbraw/zinc/68/49/47/395684947.db2.gz PPHNREOGOGUAKD-UHFFFAOYSA-N 0 0 309.391 0.933 50 0 DCAARN COCCNC(=O)[C@H](NS(=O)(=O)c1cccs1)C(C)C ZINC000009528402 395685396 /nfs/dbraw/zinc/68/53/96/395685396.db2.gz ZQGBNMWPNDDJDN-LLVKDONJSA-N 0 0 320.436 0.814 50 0 DCAARN Cc1ccc(C(=O)OCC(=O)NCC(=O)NC(C)C)cc1O ZINC000009515223 395685452 /nfs/dbraw/zinc/68/54/52/395685452.db2.gz POGNPLZVBCYECG-UHFFFAOYSA-N 0 0 308.334 0.498 50 0 DCAARN C[C@H](Sc1nc(N)nc(N)n1)C(=O)NCCc1cccs1 ZINC000009835356 395685497 /nfs/dbraw/zinc/68/54/97/395685497.db2.gz QFDVFBAOOFERHQ-ZETCQYMHSA-N 0 0 324.435 0.937 50 0 DCAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC[C@@H]1CCCO1 ZINC000009835229 395685649 /nfs/dbraw/zinc/68/56/49/395685649.db2.gz UECGOCLUTDOUBT-NSHDSACASA-N 0 0 309.366 0.536 50 0 DCAARN Cc1csc(NC(=O)Cn2nnn(-c3cccs3)c2=O)n1 ZINC000009954518 395685767 /nfs/dbraw/zinc/68/57/67/395685767.db2.gz XQMHQJKHMLQUJD-UHFFFAOYSA-N 0 0 322.375 0.894 50 0 DCAARN CS(=O)(=O)c1cccc(NC(=O)CN2CCC(O)CC2)c1 ZINC000010053436 395685951 /nfs/dbraw/zinc/68/59/51/395685951.db2.gz OLCCRKKEVPFWCQ-UHFFFAOYSA-N 0 0 312.391 0.485 50 0 DCAARN COc1ccc(CCNC(=O)C(=O)Nc2ccon2)cc1OC ZINC000010326264 395686019 /nfs/dbraw/zinc/68/60/19/395686019.db2.gz UPHNZMNIXSJIME-UHFFFAOYSA-N 0 0 319.317 0.989 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccncc2)C1 ZINC000010302168 395686048 /nfs/dbraw/zinc/68/60/48/395686048.db2.gz KCURWUDXGVKQKP-ZDUSSCGKSA-N 0 0 311.407 0.760 50 0 DCAARN Cn1nnnc1SCCC(=O)NC(=O)NCc1ccccc1 ZINC000011147749 395686296 /nfs/dbraw/zinc/68/62/96/395686296.db2.gz XJFPMPGEKUHKNG-UHFFFAOYSA-N 0 0 320.378 0.718 50 0 DCAARN Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(N)=O)cc2)n1 ZINC000011535507 395686718 /nfs/dbraw/zinc/68/67/18/395686718.db2.gz JNMJAFHVRFEEKN-UHFFFAOYSA-N 0 0 318.358 0.908 50 0 DCAARN Nn1c(SCC(=O)N2CCCC2=O)nnc1-c1cccs1 ZINC000011591955 395686736 /nfs/dbraw/zinc/68/67/36/395686736.db2.gz DKDJSDDMLYGXHW-UHFFFAOYSA-N 0 0 323.403 0.962 50 0 DCAARN O=CN1CCCN(c2nc3nonc3nc2NC2CC2)CC1 ZINC000011698594 395686767 /nfs/dbraw/zinc/68/67/67/395686767.db2.gz KTRPCLZWXFWSOF-UHFFFAOYSA-N 0 0 303.326 0.256 50 0 DCAARN COc1ccc(C)cc1S(=O)(=O)NCCn1ncccc1=O ZINC000011856345 395686925 /nfs/dbraw/zinc/68/69/25/395686925.db2.gz KKSBGIXPNSHTIA-UHFFFAOYSA-N 0 0 323.374 0.539 50 0 DCAARN CCc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)COC)n1 ZINC000012124010 395687137 /nfs/dbraw/zinc/68/71/37/395687137.db2.gz IKOOLMPVCLALIT-UHFFFAOYSA-N 0 0 317.349 0.980 50 0 DCAARN COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(C)C ZINC000012232575 395687232 /nfs/dbraw/zinc/68/72/32/395687232.db2.gz ISNZNTDFHWIGEJ-UHFFFAOYSA-N 0 0 323.397 0.538 50 0 DCAARN COc1cn(CC(=O)NCCc2ccccc2)c(CO)cc1=O ZINC000012230841 395687262 /nfs/dbraw/zinc/68/72/62/395687262.db2.gz DLARVGPVKFBUMM-UHFFFAOYSA-N 0 0 316.357 0.708 50 0 DCAARN Cc1ccccc1[C@H]1NC(=O)NC2=C1C(=O)N(C[C@H](C)O)C2 ZINC000012346012 395687499 /nfs/dbraw/zinc/68/74/99/395687499.db2.gz YKGXZKRVJOOGKN-IINYFYTJSA-N 0 0 301.346 0.826 50 0 DCAARN Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N1CCNC(=O)C1 ZINC000012900291 395688127 /nfs/dbraw/zinc/68/81/27/395688127.db2.gz DKQSJHCPWOGQBA-UHFFFAOYSA-N 0 0 316.313 0.308 50 0 biogenic DCAARN CN1N=C(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CCC1=O ZINC000013006504 395688321 /nfs/dbraw/zinc/68/83/21/395688321.db2.gz WJPMZEPBDKZTEN-UHFFFAOYSA-N 0 0 308.725 0.986 50 0 DCAARN O=C1[C@@H]2[C@H]3C[C@@H]([C@H]2C(=O)N1c1ccccc1Cl)[C@H](O)[C@H]3O ZINC000013512259 395688586 /nfs/dbraw/zinc/68/85/86/395688586.db2.gz HMMPSZDOEBFYEE-WELKYAGFSA-N 0 0 307.733 0.817 50 0 DCAARN CNC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1OC ZINC000013676927 395688781 /nfs/dbraw/zinc/68/87/81/395688781.db2.gz XDXRVNVKXXGQFI-UHFFFAOYSA-N 0 0 300.380 0.989 50 0 DCAARN Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)no1 ZINC000014136978 395689243 /nfs/dbraw/zinc/68/92/43/395689243.db2.gz LDOGIDZWGCOJDM-AWEZNQCLSA-N 0 0 318.289 0.982 50 0 DCAARN CC(=O)N1CCN(Cn2nc(-c3ccc(F)cc3)oc2=O)CC1 ZINC000014142031 395689278 /nfs/dbraw/zinc/68/92/78/395689278.db2.gz QPSFHQUUGCHKBU-UHFFFAOYSA-N 0 0 320.324 0.764 50 0 DCAARN CCNC(=O)CNC(=O)[C@H](NC(=O)Cc1ccccc1)C(C)C ZINC000014201492 395689380 /nfs/dbraw/zinc/68/93/80/395689380.db2.gz FPZUJTMFQPCUBT-MRXNPFEDSA-N 0 0 319.405 0.622 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000014254782 395689448 /nfs/dbraw/zinc/68/94/48/395689448.db2.gz PPYUUNHLOPFVSP-NSHDSACASA-N 0 0 311.363 0.148 50 0 DCAARN CN(CC(=O)NC1CC1)c1ccc2nnc(C(F)(F)F)n2n1 ZINC000014267009 395689506 /nfs/dbraw/zinc/68/95/06/395689506.db2.gz HAFBTHIVBYHFAY-UHFFFAOYSA-N 0 0 314.271 0.858 50 0 DCAARN CC(=O)NCC(=O)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000014979013 395689798 /nfs/dbraw/zinc/68/97/98/395689798.db2.gz SNHUFUBMLCCPNP-CQSZACIVSA-N 0 0 321.352 0.221 50 0 DCAARN CCOCCNS(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1 ZINC000020169135 395691109 /nfs/dbraw/zinc/69/11/09/395691109.db2.gz ZORPPEHICDPRPL-LBPRGKRZSA-N 0 0 312.391 0.605 50 0 DCAARN O=C(CN1CC(=O)NC1=O)NCCN1CCCc2ccccc21 ZINC000019811184 395691212 /nfs/dbraw/zinc/69/12/12/395691212.db2.gz APEKLSKIYFLTBU-UHFFFAOYSA-N 0 0 316.361 0.107 50 0 DCAARN O=C(CN1C(=O)CSc2ncccc21)NC[C@@H]1CCCO1 ZINC000020865690 395691341 /nfs/dbraw/zinc/69/13/41/395691341.db2.gz KBRQRKHIDMINFC-JTQLQIEISA-N 0 0 307.375 0.816 50 0 DCAARN COC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000000224285 395680042 /nfs/dbraw/zinc/68/00/42/395680042.db2.gz CLJUEVNSLNMASA-UHFFFAOYSA-N 0 0 302.352 0.865 50 0 DCAARN CCS(=O)(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000000252415 395680126 /nfs/dbraw/zinc/68/01/26/395680126.db2.gz DJCAJIHWTVAZLG-UHFFFAOYSA-N 0 0 312.391 0.559 50 0 DCAARN CC(=O)Nn1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C ZINC000000308553 395680238 /nfs/dbraw/zinc/68/02/38/395680238.db2.gz QWDFAKMUQGNGNR-UHFFFAOYSA-N 0 0 312.329 0.796 50 0 biogenic DCAARN O=C([O-])[C@H](CC(=O)NCc1cccnc1)[NH2+]Cc1cccnc1 ZINC000000352269 395680359 /nfs/dbraw/zinc/68/03/59/395680359.db2.gz NSTBOEZGXFWMKG-AWEZNQCLSA-N 0 0 314.345 0.726 50 0 DCAARN CNC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000000379670 395680368 /nfs/dbraw/zinc/68/03/68/395680368.db2.gz SOTYLQFHYGZGFE-UHFFFAOYSA-N 0 0 302.352 0.216 50 0 DCAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(=O)n(C)c(=O)n1C ZINC000000476560 395680470 /nfs/dbraw/zinc/68/04/70/395680470.db2.gz LAHMXEGNDRZEEZ-GFCCVEGCSA-N 0 0 317.345 0.880 50 0 DCAARN O=C1CSc2nc3ccccc3nc2SCC(=O)NN1 ZINC000000545907 395680511 /nfs/dbraw/zinc/68/05/11/395680511.db2.gz PIZKNSXVKBMFRC-UHFFFAOYSA-N 0 0 306.372 0.975 50 0 DCAARN COC(=O)c1ccccc1NC(=O)C(=O)NC[C@@H]1CCCO1 ZINC000002284875 395681386 /nfs/dbraw/zinc/68/13/86/395681386.db2.gz OWWNRLUJMCPCTO-JTQLQIEISA-N 0 0 306.318 0.707 50 0 DCAARN Nc1nonc1NC(=O)CSc1nnnn1-c1ccccc1 ZINC000002412329 395681565 /nfs/dbraw/zinc/68/15/65/395681565.db2.gz UNSLANRWXURZMB-UHFFFAOYSA-N 0 0 318.322 0.358 50 0 DCAARN CC(C)C[C@H](NC(=O)[C@H](O)[C@H]([NH3+])Cc1ccccc1)C(=O)[O-] ZINC000002545165 395681583 /nfs/dbraw/zinc/68/15/83/395681583.db2.gz VGGGPCQERPFHOB-HZSPNIEDSA-N 0 0 308.378 0.533 50 0 in-vitro DCAARN NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl ZINC000002890972 395682037 /nfs/dbraw/zinc/68/20/37/395682037.db2.gz RULQWFNXWJJIOU-UHFFFAOYSA-N 0 0 318.782 0.989 50 0 DCAARN Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(=O)[nH]n1 ZINC000004625771 395682495 /nfs/dbraw/zinc/68/24/95/395682495.db2.gz WPOIVDADZDYOMP-UHFFFAOYSA-N 0 0 308.319 0.390 50 0 DCAARN Cn1nnnc1S[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000006841884 395683070 /nfs/dbraw/zinc/68/30/70/395683070.db2.gz MHXVYWCZILDMEW-LBPRGKRZSA-N 0 0 319.390 0.902 50 0 DCAARN NC(=O)c1ccc(NC(=O)COc2nnc3ccccn32)cc1 ZINC000008224875 395684160 /nfs/dbraw/zinc/68/41/60/395684160.db2.gz MZPDMIBQQDHSQV-UHFFFAOYSA-N 0 0 311.301 0.846 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1ccccc1F ZINC000030556525 395702859 /nfs/dbraw/zinc/70/28/59/395702859.db2.gz HAXSZINBJIWWDB-CYBMUJFWSA-N 0 0 314.382 0.908 50 0 DCAARN Cn1ncc2c1ncnc2N1CCC(NC(=O)C2CC2)CC1 ZINC000030524733 395702861 /nfs/dbraw/zinc/70/28/61/395702861.db2.gz FGJHTNJVSRBNCT-UHFFFAOYSA-N 0 0 300.366 0.858 50 0 DCAARN O=C(CN1CCOc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 ZINC000030594343 395703583 /nfs/dbraw/zinc/70/35/83/395703583.db2.gz JGDLCAHUKQZSTM-LLVKDONJSA-N 0 0 310.375 0.189 50 0 DCAARN CCOC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000030805310 395704380 /nfs/dbraw/zinc/70/43/80/395704380.db2.gz UGNYTACDRJBNHI-MNOVXSKESA-N 0 0 318.395 0.158 50 0 DCAARN Cc1nc(CN2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)cs1 ZINC000031258456 395706399 /nfs/dbraw/zinc/70/63/99/395706399.db2.gz JAFOEWXXHNFQOB-UHFFFAOYSA-N 0 0 319.390 0.493 50 0 DCAARN O=C1c2ccccc2C(=O)N1Cn1nnn(-c2ccccc2)c1=O ZINC000031764948 395708197 /nfs/dbraw/zinc/70/81/97/395708197.db2.gz UQKUKRWLFXFMDZ-UHFFFAOYSA-N 0 0 321.296 0.683 50 0 DCAARN CCS(=O)(=O)NCCCN1CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC000089274471 395709223 /nfs/dbraw/zinc/70/92/23/395709223.db2.gz VZYAWGCKCJTFHR-OLZOCXBDSA-N 0 0 317.455 0.116 50 0 DCAARN CN1C[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)CC1=O ZINC000032144420 395709447 /nfs/dbraw/zinc/70/94/47/395709447.db2.gz LCVUBBDRJSTERL-OAHLLOKOSA-N 0 0 301.390 0.809 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)CCn3ccnc3)CCO2)[nH]1 ZINC000089289749 395709809 /nfs/dbraw/zinc/70/98/09/395709809.db2.gz FDKJWHRXYSLXCL-LLVKDONJSA-N 0 0 304.354 0.554 50 0 DCAARN CC(=O)N1CCc2cc(NC(=O)CN3CCC(O)CC3)ccc21 ZINC000032738493 395712670 /nfs/dbraw/zinc/71/26/70/395712670.db2.gz OANRLRRVDPNMRH-UHFFFAOYSA-N 0 0 317.389 0.991 50 0 DCAARN COc1ccc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000032771414 395713157 /nfs/dbraw/zinc/71/31/57/395713157.db2.gz KMMBJCGKRLBHPM-SNVBAGLBSA-N 0 0 319.404 0.408 50 0 DCAARN CN(C)C(=O)[C@H]1CCCN1CCn1nc2ccccn2c1=O ZINC000032778045 395713162 /nfs/dbraw/zinc/71/31/62/395713162.db2.gz UXBUNIPBHXZDQM-GFCCVEGCSA-N 0 0 303.366 0.049 50 0 DCAARN COC(=O)c1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)s1 ZINC000032906391 395714133 /nfs/dbraw/zinc/71/41/33/395714133.db2.gz YMMFSUHQUWCENT-QMMMGPOBSA-N 0 0 317.388 0.794 50 0 DCAARN CCN(Cc1cccs1)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000032993430 395715474 /nfs/dbraw/zinc/71/54/74/395715474.db2.gz KBTNKQKAKCZFAL-UHFFFAOYSA-N 0 0 307.375 0.657 50 0 DCAARN O=C(NC1CCCCC1)c1[nH]cnc1C(=O)N1CC[C@H](O)C1 ZINC000033003784 395715503 /nfs/dbraw/zinc/71/55/03/395715503.db2.gz OJHXRCWZPPHIHT-NSHDSACASA-N 0 0 306.366 0.679 50 0 DCAARN NC(=O)N1CCC[C@H](C(=O)Nc2ccc(-n3cncn3)nc2)C1 ZINC000033008165 395715663 /nfs/dbraw/zinc/71/56/63/395715663.db2.gz TYQNXNLNTBXOGR-JTQLQIEISA-N 0 0 315.337 0.392 50 0 DCAARN O=C(C1CCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000033089819 395716129 /nfs/dbraw/zinc/71/61/29/395716129.db2.gz PWCNWBAKYMGPIK-UHFFFAOYSA-N 0 0 309.391 0.715 50 0 DCAARN C[C@H](NC(=O)[C@@H]1CN(C)CCO1)c1cn(-c2ccccc2)nn1 ZINC000089913488 395716307 /nfs/dbraw/zinc/71/63/07/395716307.db2.gz KZVOYXSUSWGJKL-WFASDCNBSA-N 0 0 315.377 0.775 50 0 DCAARN C[C@H]1CN(C)CCN1C(=O)Cn1[nH]c(=O)c2ccccc2c1=O ZINC000089938103 395716998 /nfs/dbraw/zinc/71/69/98/395716998.db2.gz ICSHNYNSXRCEFJ-NSHDSACASA-N 0 0 316.361 0.265 50 0 DCAARN Cc1nn(C)c2sc(C(=O)N3CCN(CCO)CC3)cc12 ZINC000035186862 395719358 /nfs/dbraw/zinc/71/93/58/395719358.db2.gz MASCJFCENDGYSX-UHFFFAOYSA-N 0 0 308.407 0.693 50 0 DCAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NC[C@@H]1CCCO1 ZINC000036594812 395723454 /nfs/dbraw/zinc/72/34/54/395723454.db2.gz LAYFBHVJECGSIG-GXFFZTMASA-N 0 0 317.345 0.422 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1cccnc1 ZINC000028006629 395695669 /nfs/dbraw/zinc/69/56/69/395695669.db2.gz ADWMQKCUQFWVCU-VIFPVBQESA-N 0 0 302.334 0.577 50 0 DCAARN CC(C)N1C[C@H](C(=O)N2CCN(c3ncccn3)CC2)CC1=O ZINC000028432258 395696035 /nfs/dbraw/zinc/69/60/35/395696035.db2.gz XLFPCDZLFWOYSV-CYBMUJFWSA-N 0 0 317.393 0.382 50 0 DCAARN CCCNC(=O)CN1CCN(C[C@@H](O)c2cccs2)CC1 ZINC000028914628 395696356 /nfs/dbraw/zinc/69/63/56/395696356.db2.gz NFGPVBLABCHCNX-CYBMUJFWSA-N 0 0 311.451 0.925 50 0 DCAARN Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000029195615 395697016 /nfs/dbraw/zinc/69/70/16/395697016.db2.gz ADKVJRRCPDKABX-NSHDSACASA-N 0 0 314.411 0.191 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)NCCc2ccccn2)cc1 ZINC000029188154 395697019 /nfs/dbraw/zinc/69/70/19/395697019.db2.gz FFRBSNMHOAALBS-UHFFFAOYSA-N 0 0 319.386 0.962 50 0 DCAARN C[C@H]1CCCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000029299299 395697657 /nfs/dbraw/zinc/69/76/57/395697657.db2.gz QLCNFLVIGZUYPS-JTQLQIEISA-N 0 0 316.361 0.504 50 0 DCAARN CCCS(=O)(=O)NC1CCN(c2nccc(OC)n2)CC1 ZINC000029586136 395698656 /nfs/dbraw/zinc/69/86/56/395698656.db2.gz ONRMUTATXKBREF-UHFFFAOYSA-N 0 0 314.411 0.783 50 0 DCAARN CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(C)CC1 ZINC000037170294 395726134 /nfs/dbraw/zinc/72/61/34/395726134.db2.gz MFOSBTKYFMQBSH-ZDUSSCGKSA-N 0 0 317.455 0.954 50 0 DCAARN O=C(CN1CCSCC1)N1CCN(c2ncccn2)CC1 ZINC000040540651 395734084 /nfs/dbraw/zinc/73/40/84/395734084.db2.gz PZQGXTFBOIQLFH-UHFFFAOYSA-N 0 0 307.423 0.174 50 0 DCAARN CCCCN(C)S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000040511314 395734093 /nfs/dbraw/zinc/73/40/93/395734093.db2.gz KCTHAFDZLCYDNQ-UHFFFAOYSA-N 0 0 313.427 0.575 50 0 DCAARN NC(=O)[C@H]1CN(C(=O)CN2CCSCC2)c2ccccc2O1 ZINC000040540648 395734129 /nfs/dbraw/zinc/73/41/29/395734129.db2.gz FBACFGNLNRGBPA-CYBMUJFWSA-N 0 0 321.402 0.315 50 0 DCAARN COC(=O)CNC(=O)[C@]1(C)Sc2ccccc2N(C)C1=O ZINC000040808235 395734809 /nfs/dbraw/zinc/73/48/09/395734809.db2.gz YUUGCEFYQIRGHL-AWEZNQCLSA-N 0 0 308.359 0.803 50 0 DCAARN Cn1c(=O)cc(-c2nc(-c3cn4ccccc4n3)no2)n(C)c1=O ZINC000096164151 395746718 /nfs/dbraw/zinc/74/67/18/395746718.db2.gz UUKIXBPVVGAHNQ-UHFFFAOYSA-N 0 0 324.300 0.449 50 0 DCAARN Cc1cc(=O)c2cccc(C(=O)NCCNS(C)(=O)=O)c2[nH]1 ZINC000096163239 395746839 /nfs/dbraw/zinc/74/68/39/395746839.db2.gz AYHPBTHCHWMCAI-UHFFFAOYSA-N 0 0 323.374 0.116 50 0 DCAARN Cn1nc(CNC(=O)c2cccn(C)c2=O)c2c1CCOC2 ZINC000096103970 395744232 /nfs/dbraw/zinc/74/42/32/395744232.db2.gz IQXVCRLRKYQNRM-UHFFFAOYSA-N 0 0 302.334 0.122 50 0 DCAARN COCCNC(=O)c1cc(C(C)C)nc(N2CCOCC2)n1 ZINC000096100965 395744264 /nfs/dbraw/zinc/74/42/64/395744264.db2.gz AVANTXICVDDFDY-UHFFFAOYSA-N 0 0 308.382 0.813 50 0 DCAARN CC(C)c1cc(C(=O)N2CCOCC2)nc(N2CCOCC2)n1 ZINC000096100959 395744386 /nfs/dbraw/zinc/74/43/86/395744386.db2.gz BSBPZOTXVYKYNQ-UHFFFAOYSA-N 0 0 320.393 0.909 50 0 DCAARN O=C(NCCN1CCOCC1)c1noc(-c2ccccc2F)n1 ZINC000096125570 395745718 /nfs/dbraw/zinc/74/57/18/395745718.db2.gz BVKQPJWTIKKNMA-UHFFFAOYSA-N 0 0 320.324 0.938 50 0 DCAARN CN1C(=O)[C@H]2CN(C(=O)Nc3ccc4n[nH]nc4c3)C[C@H]2C1=O ZINC000096136818 395745822 /nfs/dbraw/zinc/74/58/22/395745822.db2.gz LUJOSEOFCILXNR-DTORHVGOSA-N 0 0 314.305 0.036 50 0 DCAARN O=C([O-])[C@]12CN(Cc3c[nH]cn3)C[C@H]1C[N@@H+](C1CCOCC1)C2 ZINC000096150192 395746106 /nfs/dbraw/zinc/74/61/06/395746106.db2.gz BEQQHFSZOGLYHK-LRDDRELGSA-N 0 0 320.393 0.407 50 0 DCAARN C[C@H]1CN(C(=O)/C=C\c2ccc(OCC(N)=O)cc2)CCO1 ZINC000096297750 395752410 /nfs/dbraw/zinc/75/24/10/395752410.db2.gz KQQLWWXZSLOTLZ-KMSCOEIWSA-N 0 0 304.346 0.811 50 0 DCAARN O=CN1CCN([C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 ZINC000096319913 395752467 /nfs/dbraw/zinc/75/24/67/395752467.db2.gz KKKUZKJUVLLGCX-ZDUSSCGKSA-N 0 0 321.764 0.746 50 0 DCAARN COc1ccccc1[C@H](CNC(=O)CN1C(=O)CCC1=O)OC ZINC000096384488 395752824 /nfs/dbraw/zinc/75/28/24/395752824.db2.gz UICQFKCMRCKNKP-ZDUSSCGKSA-N 0 0 320.345 0.648 50 0 DCAARN Cc1n[nH]c(C)c1NC(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000096441465 395753202 /nfs/dbraw/zinc/75/32/02/395753202.db2.gz SEMLPPBECDWGQT-GWCFXTLKSA-N 0 0 319.409 0.765 50 0 DCAARN CC(C)(CNc1cc(Cl)nc(N)n1)N1CCS(=O)CC1 ZINC000096418719 395753400 /nfs/dbraw/zinc/75/34/00/395753400.db2.gz IDUCLJVVGGRRRY-UHFFFAOYSA-N 0 0 317.846 0.967 50 0 DCAARN CCCN1CCN(C(=O)CC2(CS(C)(=O)=O)CC2)CC1 ZINC000096446286 395753484 /nfs/dbraw/zinc/75/34/84/395753484.db2.gz RGFQZRXPJDXPGG-UHFFFAOYSA-N 0 0 302.440 0.756 50 0 DCAARN Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CC(=O)N(CC3CC3)C1)C2 ZINC000097198463 395755716 /nfs/dbraw/zinc/75/57/16/395755716.db2.gz AJSGJWIFTAPWFM-KBPBESRZSA-N 0 0 316.405 0.881 50 0 DCAARN Cc1nnc2n1C[C@@H](NC(=O)CCOC[C@@H]1CCCO1)CC2 ZINC000097198402 395755752 /nfs/dbraw/zinc/75/57/52/395755752.db2.gz VQKNMFLUSWFVAJ-STQMWFEESA-N 0 0 308.382 0.603 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@H]1Cc1ccccc1 ZINC000042910395 395750239 /nfs/dbraw/zinc/75/02/39/395750239.db2.gz HBCJXRJZIZWSLD-STQMWFEESA-N 0 0 301.346 0.818 50 0 DCAARN CC(=O)N1CCN([C@H]2CN(Cc3nc(C)no3)C[C@H]2C)CC1 ZINC000107584121 395785429 /nfs/dbraw/zinc/78/54/29/395785429.db2.gz DQIRDMDKSXSZAP-RISCZKNCSA-N 0 0 307.398 0.362 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)c1cnc2ccccn2c1=O ZINC000047151271 395788175 /nfs/dbraw/zinc/78/81/75/395788175.db2.gz ZBDCXTOWNQISRQ-GFCCVEGCSA-N 0 0 316.361 0.145 50 0 DCAARN C[C@@H](C(=O)NCCCn1nnc2ccccc21)N1CCCC1=O ZINC000097522079 395758530 /nfs/dbraw/zinc/75/85/30/395758530.db2.gz VRHCRAYEYHVBML-LBPRGKRZSA-N 0 0 315.377 0.949 50 0 DCAARN CN1C(=O)[C@@H](CC(=O)NCCSc2ccccn2)N(C)C1=O ZINC000097505473 395758590 /nfs/dbraw/zinc/75/85/90/395758590.db2.gz DMBMEPIZBKWPPV-SNVBAGLBSA-N 0 0 322.390 0.572 50 0 DCAARN CC[C@H](O)Cn1nc(C2CCOCC2)nc1C1(C(N)=O)CC1 ZINC000097601166 395759464 /nfs/dbraw/zinc/75/94/64/395759464.db2.gz PEGNCLQPFTXYNQ-NSHDSACASA-N 0 0 308.382 0.460 50 0 DCAARN COCC1(C(=O)N2CCN(Cc3ccco3)C[C@H](O)C2)CC1 ZINC000097679787 395759823 /nfs/dbraw/zinc/75/98/23/395759823.db2.gz FPUMCMMIDAJQAQ-ZDUSSCGKSA-N 0 0 308.378 0.711 50 0 DCAARN Cn1ccnc1CN(CCO)C(=O)Cc1cn2ccsc2n1 ZINC000097717086 395760188 /nfs/dbraw/zinc/76/01/88/395760188.db2.gz DDZGXRJZSIEHDX-UHFFFAOYSA-N 0 0 319.390 0.693 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1CCOc2ccccc21 ZINC000097922867 395761012 /nfs/dbraw/zinc/76/10/12/395761012.db2.gz CBXPBIIOUKOUCP-MNOVXSKESA-N 0 0 303.318 0.615 50 0 DCAARN COc1ccc2nc(C(=O)N3CCC4(CC3)OCCO4)cn2n1 ZINC000097938736 395761324 /nfs/dbraw/zinc/76/13/24/395761324.db2.gz IGMGYFDEPLQRCS-UHFFFAOYSA-N 0 0 318.333 0.717 50 0 DCAARN O=C(CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3)NCCO ZINC000098067160 395761895 /nfs/dbraw/zinc/76/18/95/395761895.db2.gz QOICSQMCKAMTKR-UHFFFAOYSA-N 0 0 321.402 0.905 50 0 DCAARN Cc1ccc(N2C(=O)C[C@H](N3CCN(CCO)CC3)C2=O)cc1 ZINC000100619696 395763183 /nfs/dbraw/zinc/76/31/83/395763183.db2.gz CQNYQDHUXMAVOX-HNNXBMFYSA-N 0 0 317.389 0.237 50 0 DCAARN C[NH+](C)CCCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621208 395763201 /nfs/dbraw/zinc/76/32/01/395763201.db2.gz MOPCINFVYLASTK-UHFFFAOYSA-N 0 0 315.373 0.945 50 0 biogenic DCAARN C[C@@H](C(=O)NCc1ccnc(N2CCOCC2)c1)n1cccn1 ZINC000045522710 395763378 /nfs/dbraw/zinc/76/33/78/395763378.db2.gz VOAKCUZBRBXQAF-ZDUSSCGKSA-N 0 0 315.377 0.992 50 0 DCAARN Cn1ncc2c1ncnc2N1CCCC[C@H]1CNS(C)(=O)=O ZINC000045802089 395766208 /nfs/dbraw/zinc/76/62/08/395766208.db2.gz SXGUVFNXFKJQLK-JTQLQIEISA-N 0 0 324.410 0.271 50 0 DCAARN CCOC(=O)CC(=O)Nc1ccc(OC)c(-n2cnnn2)c1 ZINC000045961077 395769170 /nfs/dbraw/zinc/76/91/70/395769170.db2.gz YQMSPYMDYJMZCV-UHFFFAOYSA-N 0 0 305.294 0.563 50 0 DCAARN O=C(CCCn1cncn1)N1CCCC[C@H]1CN1CCOCC1 ZINC000111663574 395811184 /nfs/dbraw/zinc/81/11/84/395811184.db2.gz WGXJWHRYPNAPBB-HNNXBMFYSA-N 0 0 321.425 0.772 50 0 DCAARN CCOc1ncccc1CNC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000048251583 395811331 /nfs/dbraw/zinc/81/13/31/395811331.db2.gz QEJXNQMGTMDFPT-NSHDSACASA-N 0 0 313.379 0.467 50 0 DCAARN O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000225357904 395859400 /nfs/dbraw/zinc/85/94/00/395859400.db2.gz LTRQIRMFBYLGAU-CPUCHLNUSA-N 0 0 322.405 0.699 50 0 DCAARN COc1ccc(O[C@H]2CCN(C(=O)Cn3cccn3)C2)nn1 ZINC000225437254 395860062 /nfs/dbraw/zinc/86/00/62/395860062.db2.gz HWKBMWBFQJGGDU-NSHDSACASA-N 0 0 303.322 0.362 50 0 DCAARN CCCNC(=O)[C@H]1CCCN(C(=O)Cn2cccnc2=O)C1 ZINC000050697249 395840130 /nfs/dbraw/zinc/84/01/30/395840130.db2.gz OBANEMOGRPPYBQ-LBPRGKRZSA-N 0 0 306.366 0.008 50 0 DCAARN Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccncc2F)C1 ZINC000219288937 395844907 /nfs/dbraw/zinc/84/49/07/395844907.db2.gz GVWGBUNOEYAUCI-KYZUINATSA-N 0 0 305.313 0.518 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1)c1c[nH]c(=O)[nH]1 ZINC000219416113 395845329 /nfs/dbraw/zinc/84/53/29/395845329.db2.gz MRCSTKBRHSJIOP-DGCLKSJQSA-N 0 0 321.308 0.808 50 0 DCAARN COCCc1nc(CNC(=O)c2cc3c([nH]c2=O)CCC3)no1 ZINC000219463940 395845514 /nfs/dbraw/zinc/84/55/14/395845514.db2.gz RHIKGGWTZKXGEX-UHFFFAOYSA-N 0 0 318.333 0.366 50 0 DCAARN COc1ccccc1CC(=O)N[C@@H]1CCOC[C@H]1OCC(N)=O ZINC000219503366 395845664 /nfs/dbraw/zinc/84/56/64/395845664.db2.gz YSDVUTSFQHQBQL-TZMCWYRMSA-N 0 0 322.361 0.013 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1OCCO)c1[nH]nc2ccccc21 ZINC000219881714 395847122 /nfs/dbraw/zinc/84/71/22/395847122.db2.gz MCLXGZLNYQHZCC-CHWSQXEVSA-N 0 0 305.334 0.459 50 0 DCAARN O=C(Cn1ccnc1)N[C@@H]1CCOC[C@H]1OCc1cscn1 ZINC000220213160 395847809 /nfs/dbraw/zinc/84/78/09/395847809.db2.gz INPOPOPXFUWDQM-CHWSQXEVSA-N 0 0 322.390 0.830 50 0 DCAARN O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1cn[nH]n1 ZINC000220384471 395848866 /nfs/dbraw/zinc/84/88/66/395848866.db2.gz HORUYCYOCGOZLA-MNOVXSKESA-N 0 0 309.351 0.365 50 0 DCAARN COCCOc1ncccc1C(=O)NCC(=O)Nc1cn[nH]c1 ZINC000051412855 395849902 /nfs/dbraw/zinc/84/99/02/395849902.db2.gz XQURMLBILVTUDQ-UHFFFAOYSA-N 0 0 319.321 0.198 50 0 DCAARN O=C(Cc1cccnc1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000221271526 395850178 /nfs/dbraw/zinc/85/01/78/395850178.db2.gz LRWXJKKPKFYAMC-UHFFFAOYSA-N 0 0 317.389 0.722 50 0 DCAARN COC(=O)c1c(OCc2ccccc2)c(=O)ccn1CC(O)O ZINC000117284550 395851306 /nfs/dbraw/zinc/85/13/06/395851306.db2.gz BQVRPJBLLRHDAM-UHFFFAOYSA-N 0 0 319.313 0.525 50 0 DCAARN NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCc3ccccc3C2)CC1 ZINC000221420109 395851513 /nfs/dbraw/zinc/85/15/13/395851513.db2.gz PUNKMWJVORDKRA-CQSZACIVSA-N 0 0 323.418 0.139 50 0 DCAARN CCNC(=O)[C@@H]1CCN(C(=O)CN(C)Cc2cccnc2)C1 ZINC000222252430 395851879 /nfs/dbraw/zinc/85/18/79/395851879.db2.gz HDCIVPGYYYEGAV-CQSZACIVSA-N 0 0 304.394 0.498 50 0 DCAARN O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCCC1)c1cc(=O)[n-]o1 ZINC000222807125 395853293 /nfs/dbraw/zinc/85/32/93/395853293.db2.gz HVBXKBOKVFNFEA-GJQVQUKXSA-N 0 0 307.350 0.752 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)NCCn2cc(C)cn2)o1 ZINC000117815235 395855222 /nfs/dbraw/zinc/85/52/22/395855222.db2.gz IOJJOEVUVZMDRJ-UHFFFAOYSA-N 0 0 312.351 0.123 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1c[nH]c(=O)[nH]1 ZINC000223664294 395855746 /nfs/dbraw/zinc/85/57/46/395855746.db2.gz RERZIXMWVNSWAO-MWLCHTKSSA-N 0 0 324.362 0.264 50 0 DCAARN Cc1cn(CC(=O)N2C[C@@H]3CC(C)=CC[C@@H]3C2)c(=O)[nH]c1=O ZINC000223764937 395856593 /nfs/dbraw/zinc/85/65/93/395856593.db2.gz ACJYENPGXNZODX-OLZOCXBDSA-N 0 0 303.362 0.660 50 0 DCAARN O=C(CN1CCO[C@@H]2CCCC[C@@H]21)N[C@@H]1CCCCNC1=O ZINC000051996823 395857674 /nfs/dbraw/zinc/85/76/74/395857674.db2.gz VUOSXWINTURMRF-HZSPNIEDSA-N 0 0 309.410 0.415 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)CNc2ccc(F)cc2)CC1 ZINC000053780646 395889041 /nfs/dbraw/zinc/88/90/41/395889041.db2.gz WMMUACHQGWDAJU-UHFFFAOYSA-N 0 0 315.370 0.341 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1 ZINC000053894541 395890889 /nfs/dbraw/zinc/89/08/89/395890889.db2.gz PECMXNPWQPYQQE-SNVBAGLBSA-N 0 0 302.309 0.959 50 0 DCAARN Cc1cc(CN2CCN(C(=O)CCc3cnn(C)c3)CC2)no1 ZINC000054818539 395906452 /nfs/dbraw/zinc/90/64/52/395906452.db2.gz KUMLPYRHXAMNLC-UHFFFAOYSA-N 0 0 317.393 0.994 50 0 DCAARN Cc1nc(SCC(=O)NC[C@@H](O)Cc2ccccc2)n[nH]1 ZINC000055133444 395912170 /nfs/dbraw/zinc/91/21/70/395912170.db2.gz GDFBUWCSZPMHSN-LBPRGKRZSA-N 0 0 306.391 0.925 50 0 DCAARN CC(=O)NCCC(=O)N1CCN(Cc2ccccc2CO)CC1 ZINC000055386815 395918387 /nfs/dbraw/zinc/91/83/87/395918387.db2.gz NAHXEEHDJBGQLN-UHFFFAOYSA-N 0 0 319.405 0.349 50 0 DCAARN CNC(=O)[C@H](NC(=O)Cn1c(C)csc1=O)c1ccccc1 ZINC000055547043 395920253 /nfs/dbraw/zinc/92/02/53/395920253.db2.gz VETQAOOUKOPNGS-CYBMUJFWSA-N 0 0 319.386 0.822 50 0 DCAARN O=C(NCc1nnc2c(=O)[nH]ccn12)c1ccc2[nH]cnc2c1 ZINC000244986210 395926624 /nfs/dbraw/zinc/92/66/24/395926624.db2.gz JKPJCQKSTIBQAK-UHFFFAOYSA-N 0 0 309.289 0.636 50 0 DCAARN O=S(=O)(C1CC1)N1CCC(Nc2ncc(F)cn2)CC1 ZINC000225495517 395861554 /nfs/dbraw/zinc/86/15/54/395861554.db2.gz ZRCGUUWZCVMOGJ-UHFFFAOYSA-N 0 0 300.359 0.984 50 0 DCAARN CNC(=O)CNC(=O)c1cccc(NC(=O)c2cscn2)c1 ZINC000225722759 395863123 /nfs/dbraw/zinc/86/31/23/395863123.db2.gz VROORFLOEFWVOH-UHFFFAOYSA-N 0 0 318.358 0.871 50 0 DCAARN CNC(=O)CNC(=O)c1cccc(NC(=O)c2cc(C)no2)c1 ZINC000225722587 395863164 /nfs/dbraw/zinc/86/31/64/395863164.db2.gz SWTRKUTYFWUENC-UHFFFAOYSA-N 0 0 316.317 0.711 50 0 DCAARN CSc1cnc(N2CCCN(S(C)(=O)=O)CC2)nc1 ZINC000225816687 395863499 /nfs/dbraw/zinc/86/34/99/395863499.db2.gz GPQYFIHXVFRIAF-UHFFFAOYSA-N 0 0 302.425 0.670 50 0 DCAARN CNC(=O)CCNC(=O)COc1nn(-c2ccccc2)cc1C ZINC000226852159 395867009 /nfs/dbraw/zinc/86/70/09/395867009.db2.gz JWWNZWBICZTUIS-UHFFFAOYSA-N 0 0 316.361 0.812 50 0 DCAARN Cn1c2ccccc2c(=O)n(CCNC(=O)c2ccco2)c1=O ZINC000226794923 395867248 /nfs/dbraw/zinc/86/72/48/395867248.db2.gz HQVQLUIXDJSVLG-UHFFFAOYSA-N 0 0 313.313 0.723 50 0 DCAARN O=C(Cn1cc(COc2cccc(F)c2)nn1)N1CCOCC1 ZINC000227169908 395867788 /nfs/dbraw/zinc/86/77/88/395867788.db2.gz XAMNNWVLBAAVSR-UHFFFAOYSA-N 0 0 320.324 0.855 50 0 DCAARN CC(=O)N1CCC(NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000052782545 395869900 /nfs/dbraw/zinc/86/99/00/395869900.db2.gz OEOBUAAHZWKAGQ-UHFFFAOYSA-N 0 0 314.411 0.326 50 0 DCAARN CN(CC(N)=O)CC(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000052832080 395871050 /nfs/dbraw/zinc/87/10/50/395871050.db2.gz BAHJQVIUHGVKFT-UHFFFAOYSA-N 0 0 301.350 0.287 50 0 DCAARN COc1ccccc1CN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000052949746 395873616 /nfs/dbraw/zinc/87/36/16/395873616.db2.gz FQDMYFIQGRRWOG-UHFFFAOYSA-N 0 0 303.318 0.204 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCO[C@@H](c3nnc(C)[nH]3)C2)no1 ZINC000229284567 395873760 /nfs/dbraw/zinc/87/37/60/395873760.db2.gz UQBWEHBEJOTCTL-MWLCHTKSSA-N 0 0 320.353 0.810 50 0 DCAARN Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](n3cncn3)C2)cn1 ZINC000229266208 395874181 /nfs/dbraw/zinc/87/41/81/395874181.db2.gz XOOVLCUJNVYJQS-RDBSUJKOSA-N 0 0 300.366 0.979 50 0 DCAARN C[C@H](NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)[C@@H]1CCCO1 ZINC000229814916 395876513 /nfs/dbraw/zinc/87/65/13/395876513.db2.gz GVNDOQOWEMSWHU-TUAOUCFPSA-N 0 0 319.427 0.277 50 0 DCAARN O=C(Nc1cccnc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000053247393 395879244 /nfs/dbraw/zinc/87/92/44/395879244.db2.gz BMKLBURJCYWOSG-ZDUSSCGKSA-N 0 0 304.350 0.937 50 0 DCAARN CSCC[C@H](CO)NC(=O)CN1Cc2ccccc2C1=O ZINC000230214849 395879613 /nfs/dbraw/zinc/87/96/13/395879613.db2.gz CSEPYLMRBVUNCQ-GFCCVEGCSA-N 0 0 308.403 0.873 50 0 DCAARN CNS(=O)(=O)CC(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000274330191 395939590 /nfs/dbraw/zinc/93/95/90/395939590.db2.gz CSVWXUMMWDZRHP-VIFPVBQESA-N 0 0 308.359 0.643 50 0 DCAARN Cn1c2cc(C(=O)N3CCOCC3)ccc2n2nccc2c1=O ZINC000065270555 395992080 /nfs/dbraw/zinc/99/20/80/395992080.db2.gz MVANWYAQMZGZST-UHFFFAOYSA-N 0 0 312.329 0.659 50 0 DCAARN Nc1nc(NCCSc2nc[nH]n2)cc(N2CCOCC2)n1 ZINC000065432489 395993351 /nfs/dbraw/zinc/99/33/51/395993351.db2.gz UWLQUBJUTOUPJN-UHFFFAOYSA-N 0 0 322.398 0.218 50 0 DCAARN Cn1cc([C@H]2C[C@H]2C(=O)N2CCN(c3ncccn3)CC2)cn1 ZINC000065523226 395993875 /nfs/dbraw/zinc/99/38/75/395993875.db2.gz KSRFRVWLOYZLSV-ZIAGYGMSSA-N 0 0 312.377 0.662 50 0 DCAARN O=C(NCCS(=O)(=O)CCc1ccccc1)[C@@H]1CCCO1 ZINC000252509930 396022301 /nfs/dbraw/zinc/02/23/01/396022301.db2.gz YYSWMIJTYNJWQE-AWEZNQCLSA-N 0 0 311.403 0.939 50 0 DCAARN COC(=O)[C@@H]1CC[C@H](C(=O)Nc2cnn(C[C@H]3CCCO3)c2)O1 ZINC000253369623 396026290 /nfs/dbraw/zinc/02/62/90/396026290.db2.gz FTNZRNFXYJVXMQ-UPJWGTAASA-N 0 0 323.349 0.721 50 0 DCAARN O=C(N[C@@H]1CN(c2ncccn2)C[C@H]1CO)c1ccncc1F ZINC000253395472 396026348 /nfs/dbraw/zinc/02/63/48/396026348.db2.gz ALCJSPYEWHMHQW-GXFFZTMASA-N 0 0 317.324 0.238 50 0 DCAARN COC[C@@H]1CN(C(=O)c2ccc(OC)cc2OC)C[C@H]1C(N)=O ZINC000253398937 396027230 /nfs/dbraw/zinc/02/72/30/396027230.db2.gz CKUDFMQPZXPMIK-GXFFZTMASA-N 0 0 322.361 0.524 50 0 DCAARN Cc1cc(C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2CO)c(C)o1 ZINC000253400322 396027348 /nfs/dbraw/zinc/02/73/48/396027348.db2.gz DVRZYEQNODDFKA-GXTWGEPZSA-N 0 0 316.361 0.914 50 0 DCAARN O=C(NC1CC1)[C@H]1CC=CC[C@H]1C(=O)N1CCC2(C1)OCCO2 ZINC000253428986 396028712 /nfs/dbraw/zinc/02/87/12/396028712.db2.gz BSKXKTUGDNHFPX-UONOGXRCSA-N 0 0 320.389 0.823 50 0 DCAARN CCC[C@@H](NC(=O)Cn1cc(C)c(=O)[nH]c1=O)c1nccn1C ZINC000253537075 396030476 /nfs/dbraw/zinc/03/04/76/396030476.db2.gz WNEPSNQSQZPGKQ-LLVKDONJSA-N 0 0 319.365 0.648 50 0 DCAARN CCCn1[nH]ccc1=NC(=O)COc1ccccc1C(N)=O ZINC000254524618 396032342 /nfs/dbraw/zinc/03/23/42/396032342.db2.gz NEGLXIONEWGNHP-UHFFFAOYSA-N 0 0 302.334 0.831 50 0 DCAARN CC(C)c1nccc(CN2CC[C@@H](CNS(C)(=O)=O)C2)n1 ZINC000067770622 396033432 /nfs/dbraw/zinc/03/34/32/396033432.db2.gz JVAVOLMGGBGBNZ-LBPRGKRZSA-N 0 0 312.439 0.971 50 0 DCAARN COc1ccc(C(=O)NCc2nn(C)c3c2CN(C)CC3)cn1 ZINC000257176935 396034299 /nfs/dbraw/zinc/03/42/99/396034299.db2.gz VDJOSCUVUNOBJR-UHFFFAOYSA-N 0 0 315.377 0.742 50 0 DCAARN Cc1cccnc1C(=O)N[C@@H]1CN(c2ccncn2)C[C@H]1CO ZINC000257189073 396035396 /nfs/dbraw/zinc/03/53/96/396035396.db2.gz HKYZJQJEMHZXGB-QWHCGFSZSA-N 0 0 313.361 0.407 50 0 DCAARN Cc1nc(CCNC(=O)C2=NNC(=O)CC2)nc2c1CCCC2 ZINC000067856516 396037052 /nfs/dbraw/zinc/03/70/52/396037052.db2.gz IJHHDYBYDBIVQA-UHFFFAOYSA-N 0 0 315.377 0.589 50 0 DCAARN Cc1cccc(OC2CN(C(=O)CCCS(N)(=O)=O)C2)c1 ZINC000067967635 396040835 /nfs/dbraw/zinc/04/08/35/396040835.db2.gz PQYHRLLQLXNVTC-UHFFFAOYSA-N 0 0 312.391 0.653 50 0 DCAARN C[NH2+][C@H]1CCCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1 ZINC000261850251 396072592 /nfs/dbraw/zinc/07/25/92/396072592.db2.gz XWRGSITZKPIBLW-NSHDSACASA-N 0 0 308.407 0.692 50 0 DCAARN CSCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O ZINC000252494882 396020680 /nfs/dbraw/zinc/02/06/80/396020680.db2.gz OHJOXMZGYYUWTK-CHWSQXEVSA-N 0 0 308.403 0.741 50 0 DCAARN Cn1cc(C(=O)NCC2CCN(Cc3ncccn3)CC2)cn1 ZINC000252489940 396021177 /nfs/dbraw/zinc/02/11/77/396021177.db2.gz KFDYVOPNICBIIG-UHFFFAOYSA-N 0 0 314.393 0.852 50 0 DCAARN CCn1ccnc1CN1CCCN(C(=O)[C@H]2CCOC2)CC1 ZINC000069738381 396088846 /nfs/dbraw/zinc/08/88/46/396088846.db2.gz JPQFCFXSERROLL-AWEZNQCLSA-N 0 0 306.410 0.974 50 0 DCAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ncc[nH]1 ZINC000169772684 396090958 /nfs/dbraw/zinc/09/09/58/396090958.db2.gz IDDTVPBJNMLVHW-LLVKDONJSA-N 0 0 313.317 0.879 50 0 DCAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1Cn2cccc2C(=O)N1 ZINC000169774850 396091141 /nfs/dbraw/zinc/09/11/41/396091141.db2.gz BQIMHKDEPPHKGE-NSHDSACASA-N 0 0 313.313 0.645 50 0 DCAARN O=C(N[C@@H]1CN(C(=O)c2ccccn2)CC[C@@H]1CO)C1CC1 ZINC000169786445 396092613 /nfs/dbraw/zinc/09/26/13/396092613.db2.gz QHBPIEHPFLHJHP-TZMCWYRMSA-N 0 0 303.362 0.431 50 0 DCAARN Cc1nc(C)n(C[C@@H]2CCCCN2c2ccc3nnnn3n2)n1 ZINC000069897204 396093541 /nfs/dbraw/zinc/09/35/41/396093541.db2.gz BISNYMYRMIWYIH-LBPRGKRZSA-N 0 0 313.369 0.787 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)c2ccc(OC)nc2)CC1 ZINC000069920741 396094275 /nfs/dbraw/zinc/09/42/75/396094275.db2.gz PUTMERWOQYIUNY-CQSZACIVSA-N 0 0 323.393 0.245 50 0 DCAARN CC(C)(C)n1ncc2c1ncnc2N1CC[C@@H](CO)[C@H](O)C1 ZINC000170091038 396094423 /nfs/dbraw/zinc/09/44/23/396094423.db2.gz SIKPKTUDNCQPTQ-CMPLNLGQSA-N 0 0 305.382 0.761 50 0 DCAARN C[C@H](C(=O)N1CCc2sccc2C1)N1CCN(CCO)CC1 ZINC000069924075 396095108 /nfs/dbraw/zinc/09/51/08/396095108.db2.gz QYGQTEWVJOANBU-CYBMUJFWSA-N 0 0 323.462 0.631 50 0 DCAARN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 ZINC000170626272 396096254 /nfs/dbraw/zinc/09/62/54/396096254.db2.gz NKUYVRXHLKDOOF-OLZOCXBDSA-N 0 0 312.410 0.803 50 0 DCAARN CN(Cc1ccco1)C(=O)CN1CCO[C@H](Cn2cncn2)C1 ZINC000069969194 396096276 /nfs/dbraw/zinc/09/62/76/396096276.db2.gz KYSUMQKLPCUPJE-AWEZNQCLSA-N 0 0 319.365 0.231 50 0 DCAARN C[C@@](O)(CNC(=O)C(=O)NCC(F)(F)F)c1ccccc1 ZINC000070639792 396102551 /nfs/dbraw/zinc/10/25/51/396102551.db2.gz JVQWBOOUTJRFBI-GFCCVEGCSA-N 0 0 304.268 0.689 50 0 DCAARN COCCNC(=O)NCC1CCN(c2ccc(C)nn2)CC1 ZINC000070930075 396107020 /nfs/dbraw/zinc/10/70/20/396107020.db2.gz XEJGQJOGCPNKPN-UHFFFAOYSA-N 0 0 307.398 0.947 50 0 DCAARN C[C@@H](C(=O)NC(N)=O)N1CCN(C(=O)CC2CCCC2)CC1 ZINC000071186133 396110906 /nfs/dbraw/zinc/11/09/06/396110906.db2.gz INONEBOXALOILA-NSHDSACASA-N 0 0 310.398 0.294 50 0 DCAARN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC ZINC000071375475 396113250 /nfs/dbraw/zinc/11/32/50/396113250.db2.gz RSLUZYWBLNPSQD-LBPRGKRZSA-N 0 0 300.380 0.986 50 0 DCAARN CC(C)[C@H](C(=O)N1CCN(c2cnccn2)CC1)n1cncn1 ZINC000071819732 396115970 /nfs/dbraw/zinc/11/59/70/396115970.db2.gz WVDGLYLHWALIQP-CQSZACIVSA-N 0 0 315.381 0.614 50 0 DCAARN CCOC1CCN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC000071820681 396116277 /nfs/dbraw/zinc/11/62/77/396116277.db2.gz XKMALWCXBLYVPI-UHFFFAOYSA-N 0 0 309.366 0.332 50 0 DCAARN NC(=O)CCCNC(=O)NCCS(=O)(=O)c1ccccc1 ZINC000071819695 396116335 /nfs/dbraw/zinc/11/63/35/396116335.db2.gz QPXHVKKLNXPTAJ-UHFFFAOYSA-N 0 0 313.379 0.025 50 0 DCAARN CC(C)N(Cc1cnn(C)c1)Cc1cc(=O)n(C)c(=O)n1C ZINC000071818448 396116373 /nfs/dbraw/zinc/11/63/73/396116373.db2.gz RIBUCSWQMKSGKB-UHFFFAOYSA-N 0 0 305.382 0.228 50 0 DCAARN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cn(-c2ccccc2)nn1 ZINC000071829609 396117130 /nfs/dbraw/zinc/11/71/30/396117130.db2.gz FLWXLCBMANCBOT-NEPJUHHUSA-N 0 0 313.361 0.993 50 0 DCAARN O=C(c1cccnc1OCC(F)(F)F)N1CCNC(=O)CC1 ZINC000071839570 396117720 /nfs/dbraw/zinc/11/77/20/396117720.db2.gz YVDQCAOXBZHMPX-UHFFFAOYSA-N 0 0 317.267 0.985 50 0 DCAARN NC(=O)c1ccc(OCC(=O)N2CCO[C@H]3CCC[C@H]32)cc1 ZINC000071830317 396118025 /nfs/dbraw/zinc/11/80/25/396118025.db2.gz NLMNZXVTWLUTCB-KGLIPLIRSA-N 0 0 304.346 0.944 50 0 DCAARN Cc1ccc(OCC(=O)N2CCN([C@@H](C)C(N)=O)CC2)cc1 ZINC000071850017 396118376 /nfs/dbraw/zinc/11/83/76/396118376.db2.gz OXRHPAGSAIMKBN-ZDUSSCGKSA-N 0 0 305.378 0.392 50 0 DCAARN Cn1cc([C@H]2C[C@@H]2C(=O)N2CCC(N3CCNC3=O)CC2)cn1 ZINC000071841426 396118445 /nfs/dbraw/zinc/11/84/45/396118445.db2.gz AHZJLNWCTMUQLJ-KGLIPLIRSA-N 0 0 317.393 0.540 50 0 DCAARN COc1cccc(COCC(=O)N2CCC(C(N)=O)CC2)c1 ZINC000071851660 396118990 /nfs/dbraw/zinc/11/89/90/396118990.db2.gz FZFZOLFDLYNHQT-UHFFFAOYSA-N 0 0 306.362 0.936 50 0 DCAARN Cc1cnn(C[C@H]2CCCCN2C(=O)c2ccc(=O)n(C)n2)c1 ZINC000071865658 396119725 /nfs/dbraw/zinc/11/97/25/396119725.db2.gz RVAZAPLTJVHCAF-CYBMUJFWSA-N 0 0 315.377 0.980 50 0 DCAARN CN(Cc1nnnn1C1CC1)C[C@@H]1CCCN1c1cccnn1 ZINC000071860030 396119764 /nfs/dbraw/zinc/11/97/64/396119764.db2.gz LEWKLYNFKCMPIX-ZDUSSCGKSA-N 0 0 314.397 0.899 50 0 DCAARN Cc1nnc2ccc(N3CCN([C@@H]4C[C@@H](C)OC4=O)CC3)nn12 ZINC000071863793 396119772 /nfs/dbraw/zinc/11/97/72/396119772.db2.gz OLEQIGRMHQVMRX-ZYHUDNBSSA-N 0 0 316.365 0.259 50 0 DCAARN Cc1cnn(C[C@@H]2CCCN2C(=O)[C@H](C)N2CCOCC2)c1 ZINC000071869970 396120150 /nfs/dbraw/zinc/12/01/50/396120150.db2.gz OAUYRAHDQHKPNP-GJZGRUSLSA-N 0 0 306.410 0.903 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1 ZINC000071871022 396120166 /nfs/dbraw/zinc/12/01/66/396120166.db2.gz ACEAXEZHTARIKF-JTQLQIEISA-N 0 0 320.315 0.427 50 0 DCAARN CN1CCN(C2CCN(Cc3nnnn3C3CC3)CC2)C1=O ZINC000071871866 396120743 /nfs/dbraw/zinc/12/07/43/396120743.db2.gz OBYFKIKHWFXTRL-UHFFFAOYSA-N 0 0 305.386 0.340 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCO[C@H](Cn3cncn3)C2)on1 ZINC000071876563 396121919 /nfs/dbraw/zinc/12/19/19/396121919.db2.gz GOOIXLIKKCBGSR-NEPJUHHUSA-N 0 0 320.353 0.303 50 0 DCAARN CC(C)COC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@@H](C)O ZINC000071921342 396125682 /nfs/dbraw/zinc/12/56/82/396125682.db2.gz DGYOYLIWRAASPZ-MWLCHTKSSA-N 0 0 321.420 0.975 50 0 DCAARN COc1c([C@H]2CCCN2CC(=O)N2CCOCC2)c(C)nn1C ZINC000072253668 396128112 /nfs/dbraw/zinc/12/81/12/396128112.db2.gz NYWZEFSNFYAPPQ-CYBMUJFWSA-N 0 0 322.409 0.733 50 0 DCAARN CC(C)c1ncc2c(n1)CN(CCN1C(=O)CNC1=O)CC2 ZINC000072268539 396128190 /nfs/dbraw/zinc/12/81/90/396128190.db2.gz KSBQMPOLRODYCJ-UHFFFAOYSA-N 0 0 303.366 0.510 50 0 DCAARN Cc1cnn(C[C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)c1 ZINC000072279981 396128627 /nfs/dbraw/zinc/12/86/27/396128627.db2.gz WJJUZPCUEVMZHK-LBPRGKRZSA-N 0 0 319.365 0.124 50 0 DCAARN COC[C@](C)(NC(=O)COc1cccc(C(C)=O)c1)C(N)=O ZINC000072281138 396128828 /nfs/dbraw/zinc/12/88/28/396128828.db2.gz CRXUGKYCGZHWBB-HNNXBMFYSA-N 0 0 308.334 0.275 50 0 DCAARN O=C([C@H]1C[C@@H]1c1cccc(F)c1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000072290680 396129790 /nfs/dbraw/zinc/12/97/90/396129790.db2.gz UVEFQZMCBGUGAU-BFQNTYOBSA-N 0 0 317.320 0.740 50 0 DCAARN CCC(=O)N1CCCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC000072301955 396130739 /nfs/dbraw/zinc/13/07/39/396130739.db2.gz SWSHDGFLTHRPFB-UHFFFAOYSA-N 0 0 318.439 0.687 50 0 DCAARN CCc1onc(C)c1C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000262407021 396136700 /nfs/dbraw/zinc/13/67/00/396136700.db2.gz QGASWVQJVOCAER-LBPRGKRZSA-N 0 0 320.393 0.582 50 0 DCAARN CCc1noc([C@@H](C)N2CCC[C@H](CNS(N)(=O)=O)C2)n1 ZINC000069369037 396076092 /nfs/dbraw/zinc/07/60/92/396076092.db2.gz FGKKNWSUNYYHAX-NXEZZACHSA-N 0 0 317.415 0.198 50 0 DCAARN NC(=O)c1ccc(CN2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000069415372 396078066 /nfs/dbraw/zinc/07/80/66/396078066.db2.gz CZSYPLSMDCHLAP-HNNXBMFYSA-N 0 0 300.362 0.883 50 0 DCAARN CCNC(=O)CN1CCN(Cc2cn3ccsc3n2)CC1 ZINC000069415409 396078078 /nfs/dbraw/zinc/07/80/78/396078078.db2.gz JYTXBNSXNVDWRF-UHFFFAOYSA-N 0 0 307.423 0.650 50 0 DCAARN CCc1noc([C@@H](C)N2CCN(CCS(C)(=O)=O)CC2)n1 ZINC000069432078 396078291 /nfs/dbraw/zinc/07/82/91/396078291.db2.gz SAKHTUHMKOIHIZ-LLVKDONJSA-N 0 0 316.427 0.355 50 0 DCAARN Cc1csc2nc(CN3CCn4c(C)nnc4C3)cc(=O)n12 ZINC000069444176 396078730 /nfs/dbraw/zinc/07/87/30/396078730.db2.gz SUBYJXLNVHYLOR-UHFFFAOYSA-N 0 0 316.390 0.980 50 0 DCAARN O=c1onc(-c2cnccn2)n1Cc1cc(=O)n2ccccc2n1 ZINC000069442704 396078902 /nfs/dbraw/zinc/07/89/02/396078902.db2.gz DQFNOMQYQSDIRS-UHFFFAOYSA-N 0 0 322.284 0.350 50 0 DCAARN CCCNC(=O)C1(NC(=O)C2=NN(C)C(=O)CC2)CCCCC1 ZINC000069509085 396081397 /nfs/dbraw/zinc/08/13/97/396081397.db2.gz VVVHJXQBYBHRPC-UHFFFAOYSA-N 0 0 322.409 0.940 50 0 DCAARN NC(=O)c1cccc(CN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000069561434 396082605 /nfs/dbraw/zinc/08/26/05/396082605.db2.gz JKDGRSFQDOHYDJ-HNNXBMFYSA-N 0 0 300.362 0.883 50 0 DCAARN Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(=O)n(C)c2)n1 ZINC000069567195 396082789 /nfs/dbraw/zinc/08/27/89/396082789.db2.gz WLHLDRNZXZCCQP-UHFFFAOYSA-N 0 0 314.345 0.799 50 0 DCAARN CCCCNC(=O)Cc1noc(CN2CC(n3cccn3)C2)n1 ZINC000069617180 396084426 /nfs/dbraw/zinc/08/44/26/396084426.db2.gz CSGQHDZCRHNCLB-UHFFFAOYSA-N 0 0 318.381 0.782 50 0 DCAARN COc1cc(C)nc(N2CCN(C(=O)c3cnccn3)CC2)n1 ZINC000069621263 396084652 /nfs/dbraw/zinc/08/46/52/396084652.db2.gz IULWVQNXBXAOLB-UHFFFAOYSA-N 0 0 314.349 0.546 50 0 DCAARN C[C@@H]1CN(C[C@H](O)CN2CCc3cncnc3C2)C[C@@H](C)O1 ZINC000069626603 396085241 /nfs/dbraw/zinc/08/52/41/396085241.db2.gz LGNGDBSFWFBMTA-UMVBOHGHSA-N 0 0 306.410 0.305 50 0 DCAARN CC(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C(=O)[O-] ZINC000262672567 396171658 /nfs/dbraw/zinc/17/16/58/396171658.db2.gz PYZALAYMMMWHQP-NWDGAFQWSA-N 0 0 313.398 0.012 50 0 DCAARN Cc1cc(C)c(CNC(=O)NCCCn2cncn2)c(=O)[nH]1 ZINC000075111217 396176512 /nfs/dbraw/zinc/17/65/12/396176512.db2.gz IFERUYDUOKQYIP-UHFFFAOYSA-N 0 0 304.354 0.473 50 0 DCAARN Cc1noc(COCC(=O)N2CCC[C@@H](n3cncn3)C2)n1 ZINC000075612421 396183420 /nfs/dbraw/zinc/18/34/20/396183420.db2.gz FTUAVNHTNVUSLH-LLVKDONJSA-N 0 0 306.326 0.350 50 0 DCAARN CCCc1nnc([C@H]2CN(C(=O)Cc3cnn(C)c3)CCO2)[nH]1 ZINC000076045872 396192735 /nfs/dbraw/zinc/19/27/35/396192735.db2.gz VZQKFLDXVYUNHD-GFCCVEGCSA-N 0 0 318.381 0.633 50 0 DCAARN Cc1noc(COCC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000076054098 396194847 /nfs/dbraw/zinc/19/48/47/396194847.db2.gz HRAIEBCSZLJICE-AAEUAGOBSA-N 0 0 324.381 0.074 50 0 DCAARN Cc1cc(NC(=O)CN2CCc3nn(C)c(=O)cc3C2)no1 ZINC000076064647 396195615 /nfs/dbraw/zinc/19/56/15/396195615.db2.gz OLCHKWNJRAOQSL-UHFFFAOYSA-N 0 0 303.322 0.074 50 0 DCAARN O=C(NCCS(=O)(=O)N1CCSCC1)C1CCCC1 ZINC000078619052 396249343 /nfs/dbraw/zinc/24/93/43/396249343.db2.gz XDFKOZSMLHZDPM-UHFFFAOYSA-N 0 0 306.453 0.671 50 0 DCAARN CN(C)S(=O)(=O)N(C)CCOC(=O)c1ccc(F)c(F)c1 ZINC000078715134 396252841 /nfs/dbraw/zinc/25/28/41/396252841.db2.gz RKEPXYJNPJKUTP-UHFFFAOYSA-N 0 0 322.333 0.860 50 0 DCAARN COC(=O)c1ccc(OC)cc1NCC(=O)N1CCOCC1 ZINC000078768436 396253384 /nfs/dbraw/zinc/25/33/84/396253384.db2.gz HUBBYOJZWKTARM-UHFFFAOYSA-N 0 0 308.334 0.753 50 0 DCAARN C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000264064686 396253422 /nfs/dbraw/zinc/25/34/22/396253422.db2.gz BKXNVSNLXOQCFR-WCQYABFASA-N 0 0 303.370 0.947 50 0 DCAARN O=C(CN1CCO[C@@H](CNc2cccnn2)C1)NCC1CC1 ZINC000078893995 396257417 /nfs/dbraw/zinc/25/74/17/396257417.db2.gz RZJPDGVGHDYHRZ-ZDUSSCGKSA-N 0 0 305.382 0.116 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)NCCCn2ccnc2)cc1 ZINC000183012614 396258997 /nfs/dbraw/zinc/25/89/97/396258997.db2.gz ATCHSLSTHNSWKP-UHFFFAOYSA-N 0 0 322.390 0.611 50 0 DCAARN Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC000077301111 396218518 /nfs/dbraw/zinc/21/85/18/396218518.db2.gz AWQAIOHAQQRRSE-ZDUSSCGKSA-N 0 0 320.393 0.174 50 0 DCAARN CSCCC(=O)N1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC000077355445 396219470 /nfs/dbraw/zinc/21/94/70/396219470.db2.gz SCHMFIQKERRVSH-DGCLKSJQSA-N 0 0 323.418 0.526 50 0 DCAARN CCCOC(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 ZINC000077376119 396220185 /nfs/dbraw/zinc/22/01/85/396220185.db2.gz PYWQMNNEQYXOKK-ZDUSSCGKSA-N 0 0 324.381 0.512 50 0 DCAARN O=C(NCc1cnn(Cc2ccccc2)c1)[C@@H]1COC(=O)N1 ZINC000282949029 396294456 /nfs/dbraw/zinc/29/44/56/396294456.db2.gz HBNPJEILKJJRLS-ZDUSSCGKSA-N 0 0 300.318 0.656 50 0 DCAARN COCC(=O)NC1CN(S(=O)(=O)c2ccc(F)c(C)c2)C1 ZINC000187716543 396372833 /nfs/dbraw/zinc/37/28/33/396372833.db2.gz IQLUWWMAHFNFTF-UHFFFAOYSA-N 0 0 316.354 0.270 50 0 DCAARN Cc1noc([C@H]2CCCCN2C(=O)NCCn2cncn2)n1 ZINC000287835712 396425699 /nfs/dbraw/zinc/42/56/99/396425699.db2.gz WJEMBJYNUVKJCM-LLVKDONJSA-N 0 0 305.342 0.906 50 0 DCAARN COC(=O)[C@@H]1N[C@H](c2ccccc2C)[C@H]2C(=O)N(C)C(=O)[C@@H]12 ZINC000526056024 396531734 /nfs/dbraw/zinc/53/17/34/396531734.db2.gz CGOWJTYBIFYYIV-UMSGYPCISA-N 0 0 302.330 0.412 50 0 DCAARN CC[C@@H](Cn1ccnc1)NC(=O)c1c[nH]c2cc(C)nn2c1=O ZINC000584886550 396632492 /nfs/dbraw/zinc/63/24/92/396632492.db2.gz VYESGKQOHFJPRU-NSHDSACASA-N 0 0 314.349 0.736 50 0 DCAARN COc1cccc2ncn(C[C@@H]3CN(C)CCN3C)c(=O)c21 ZINC000584891906 396634014 /nfs/dbraw/zinc/63/40/14/396634014.db2.gz JWVBENNNBDPYLF-LBPRGKRZSA-N 0 0 302.378 0.651 50 0 DCAARN Cc1n[nH]c(CCC(=O)N2CCO[C@H](C(=O)N(C)C)C2)c1C ZINC000584893357 396634440 /nfs/dbraw/zinc/63/44/40/396634440.db2.gz HVVPEJPQAAFQGA-ZDUSSCGKSA-N 0 0 308.382 0.275 50 0 DCAARN Nc1cc(=O)[nH]c(CCNC(=O)COC[C@@H]2CCCCO2)n1 ZINC000584900740 396636093 /nfs/dbraw/zinc/63/60/93/396636093.db2.gz DUOHCIVGEHGFSD-JTQLQIEISA-N 0 0 310.354 0.009 50 0 DCAARN O=C(CCN1CCCCCC1=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000584900818 396636535 /nfs/dbraw/zinc/63/65/35/396636535.db2.gz MPHVXSTVPOGXBD-LLVKDONJSA-N 0 0 302.396 0.082 50 0 DCAARN Cc1cc(CNC(=O)CCn2ccc(=O)[nH]c2=O)cnc1C ZINC000584903883 396636970 /nfs/dbraw/zinc/63/69/70/396636970.db2.gz UACKBGJGRJIDBP-UHFFFAOYSA-N 0 0 302.334 0.667 50 0 DCAARN CCOCCC(=O)OCCOc1nn(C)c(N)c1C(=O)OC ZINC000585136057 396641536 /nfs/dbraw/zinc/64/15/36/396641536.db2.gz OEGRFOMVHXBXLM-UHFFFAOYSA-N 0 0 315.326 0.138 50 0 DCAARN CCN(C)S(=O)(=O)NCc1cc(=O)[nH]c(C2CCC2)n1 ZINC000585137238 396641581 /nfs/dbraw/zinc/64/15/81/396641581.db2.gz NPTHVYKQNIEDRC-UHFFFAOYSA-N 0 0 300.384 0.736 50 0 DCAARN C[C@H](C(=O)N[C@H]1CCSC1=O)n1nc2c(cc1=O)CCC2 ZINC000585150529 396642088 /nfs/dbraw/zinc/64/20/88/396642088.db2.gz PDKUFOSFRSOMMY-KCJUWKMLSA-N 0 0 307.375 0.441 50 0 DCAARN CC(=O)N1CCN([C@@H]2CN([C@@H]3C[C@@H](C)OC3=O)C[C@H]2C)CC1 ZINC000299754217 396713859 /nfs/dbraw/zinc/71/38/59/396713859.db2.gz UFRNUGDXTIYKQJ-QHSBEEBCSA-N 0 0 309.410 0.175 50 0 DCAARN Cc1cc(=O)cc(C(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)o1 ZINC000299769817 396714091 /nfs/dbraw/zinc/71/40/91/396714091.db2.gz QTDQNFLLTWQEIP-JSGCOSHPSA-N 0 0 316.317 0.526 50 0 DCAARN CC(=O)NCC(=O)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 ZINC000618255245 396942355 /nfs/dbraw/zinc/94/23/55/396942355.db2.gz OBTDWTPGVSOJKY-GFCCVEGCSA-N 0 0 314.345 0.746 50 0 DCAARN Cn1cnnc1C1CCN(C(=O)NCCCn2cccn2)CC1 ZINC000612390229 397043833 /nfs/dbraw/zinc/04/38/33/397043833.db2.gz LANZEBXJDSWETK-UHFFFAOYSA-N 0 0 317.397 0.991 50 0 DCAARN O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)O[C@H]1CCOC1 ZINC000390832476 397302998 /nfs/dbraw/zinc/30/29/98/397302998.db2.gz ZPMGRYURZZAXQP-QWRGUYRKSA-N 0 0 318.337 0.218 50 0 DCAARN COCCNC(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C ZINC000390830788 397303119 /nfs/dbraw/zinc/30/31/19/397303119.db2.gz NLKBGEHMLRPTFA-UHFFFAOYSA-N 0 0 314.367 0.585 50 0 DCAARN CNC(=O)CN1CCCN(C(=O)[C@H]2CSCCS2)CC1 ZINC000365912380 397332586 /nfs/dbraw/zinc/33/25/86/397332586.db2.gz PAIFIIHPGHHFIV-LLVKDONJSA-N 0 0 317.480 0.115 50 0 DCAARN CCS(=O)(=O)N1C[C@H](OC)C[C@H]1c1nnc(C2CC2)[nH]1 ZINC000578345452 397423819 /nfs/dbraw/zinc/42/38/19/397423819.db2.gz OQTKQWVSZIVJQM-ZJUUUORDSA-N 0 0 300.384 0.794 50 0 DCAARN Cc1cc(C(=O)N[C@@H]2CCc3nc(N(C)C)ncc3C2)n(C)n1 ZINC000606440891 397681391 /nfs/dbraw/zinc/68/13/91/397681391.db2.gz ZBXHXWOLBFBVSX-GFCCVEGCSA-N 0 0 314.393 0.872 50 0 DCAARN COc1ccc(C(=O)NC[C@](C)(O)CN2CCOCC2)c(O)c1 ZINC000072311732 286286730 /nfs/dbraw/zinc/28/67/30/286286730.db2.gz NRYADVQNWMLLOH-INIZCTEOSA-N 0 0 324.377 0.214 50 0 DCAARN COc1ccc(C(=O)NCCc2nnc3n2CCCC3)nn1 ZINC000329640863 159108163 /nfs/dbraw/zinc/10/81/63/159108163.db2.gz ZNZHVHUBZUJAIF-UHFFFAOYSA-N 0 0 302.338 0.386 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](CO)CC(C)C)C1 ZINC000330580571 159196552 /nfs/dbraw/zinc/19/65/52/159196552.db2.gz RDOYVCGHYWMKLU-QWHCGFSZSA-N 0 0 320.455 0.571 50 0 DCAARN O=C([C@@H]1CC[C@H](C(F)(F)F)NC1=O)N1CCc2n[nH]cc2C1 ZINC000408022809 160013991 /nfs/dbraw/zinc/01/39/91/160013991.db2.gz VNOZLNUIBIYPOF-PSASIEDQSA-N 0 0 316.283 0.752 50 0 DCAARN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1c(C)nn(C)c1C ZINC000408249927 160069314 /nfs/dbraw/zinc/06/93/14/160069314.db2.gz FAZOEFXZFKQXNJ-NSHDSACASA-N 0 0 314.411 0.191 50 0 DCAARN Cc1csc(NC(=O)CN2CCO[C@H](Cn3cncn3)C2)n1 ZINC000070004046 286909943 /nfs/dbraw/zinc/90/99/43/286909943.db2.gz DVUCHDPTIZBMKD-NSHDSACASA-N 0 0 322.394 0.383 50 0 DCAARN C[C@H](NC(=O)c1cc(C(N)=O)cn1C)c1nnc2ccccn21 ZINC000152116676 287038788 /nfs/dbraw/zinc/03/87/88/287038788.db2.gz NSULMWFPPMLLMB-VIFPVBQESA-N 0 0 312.333 0.658 50 0 DCAARN C[C@@H]1CCCCN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000040489765 287262113 /nfs/dbraw/zinc/26/21/13/287262113.db2.gz TYFBDVBWTZQKOV-SNVBAGLBSA-N 0 0 316.361 0.647 50 0 DCAARN C/C=C/Cn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3C)n(C)c1=O ZINC000010337034 415150330 /nfs/dbraw/zinc/15/03/30/415150330.db2.gz MGDXCEOKRMNPEJ-VQCYPWCPSA-N 0 0 316.365 0.860 50 0 DCAARN Cc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000000353657 415124633 /nfs/dbraw/zinc/12/46/33/415124633.db2.gz UMFKZOXEFSDUIE-UHFFFAOYSA-N 0 0 311.345 0.894 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)NC(=O)C[C@H]2c1ccc(F)cc1 ZINC000004761122 415130053 /nfs/dbraw/zinc/13/00/53/415130053.db2.gz VIKBLYYCHRKLMO-JTQLQIEISA-N 0 0 303.293 0.697 50 0 DCAARN CN(C)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000007309338 415137316 /nfs/dbraw/zinc/13/73/16/415137316.db2.gz QQJDFAFRZJHZPI-UHFFFAOYSA-N 0 0 314.363 0.167 50 0 DCAARN COC(=O)CCCNC(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000007019533 415138511 /nfs/dbraw/zinc/13/85/11/415138511.db2.gz FSVDQHUFYRBOHW-UHFFFAOYSA-N 0 0 317.349 0.718 50 0 DCAARN O=C(NCc1ccco1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000007666805 415140743 /nfs/dbraw/zinc/14/07/43/415140743.db2.gz RYOWCRYLPJEWGJ-UHFFFAOYSA-N 0 0 307.331 0.393 50 0 DCAARN NC(=O)Nc1cccc(C(=O)NCC(=O)NCc2ccco2)c1 ZINC000007953396 415146427 /nfs/dbraw/zinc/14/64/27/415146427.db2.gz VUIVADOHLQOLGA-UHFFFAOYSA-N 0 0 316.317 0.816 50 0 DCAARN Cc1cc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)no1 ZINC000026103364 415165277 /nfs/dbraw/zinc/16/52/77/415165277.db2.gz YPAUOLPPPSOZKZ-UHFFFAOYSA-N 0 0 323.374 0.978 50 0 DCAARN Cc1cc(=O)oc(C)c1C(=O)OCc1nc(N)nc(N(C)C)n1 ZINC000026017270 415165732 /nfs/dbraw/zinc/16/57/32/415165732.db2.gz QOYKMQQNDOLXNH-UHFFFAOYSA-N 0 0 319.321 0.447 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCOc1ccccc1 ZINC000025645149 415166124 /nfs/dbraw/zinc/16/61/24/415166124.db2.gz ATGJYFXVTJNFQM-UHFFFAOYSA-N 0 0 317.345 0.499 50 0 DCAARN C[C@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[C@@H]1CCCO1 ZINC000027893848 415172508 /nfs/dbraw/zinc/17/25/08/415172508.db2.gz ZGYGEXLKSNNISN-UFBFGSQYSA-N 0 0 303.318 0.514 50 0 DCAARN C[C@@H](CNS(=O)(=O)c1cc(F)cc(F)c1)N1CCOCC1 ZINC000030338123 415182797 /nfs/dbraw/zinc/18/27/97/415182797.db2.gz BTPQVKLAOXKLFS-JTQLQIEISA-N 0 0 320.361 0.964 50 0 DCAARN Cc1cc(CN2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)on1 ZINC000044402851 415219912 /nfs/dbraw/zinc/21/99/12/415219912.db2.gz GBNSQZGIGCWGGH-ZDUSSCGKSA-N 0 0 320.393 0.496 50 0 DCAARN CC(=O)N[C@H](C(=O)N1CCN(c2cnccn2)CC1)C(C)C ZINC000044895560 415232311 /nfs/dbraw/zinc/23/23/11/415232311.db2.gz MDHVKBDIJCQSDZ-AWEZNQCLSA-N 0 0 305.382 0.286 50 0 DCAARN Cc1ccc([C@@H](C)NC(=O)NC2CCN(CC(N)=O)CC2)o1 ZINC000048060596 415283985 /nfs/dbraw/zinc/28/39/85/415283985.db2.gz GATGAFAVZIPEIT-LLVKDONJSA-N 0 0 308.382 0.898 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)NC[C@@H](c1ccco1)N(C)C ZINC000044949299 415238895 /nfs/dbraw/zinc/23/88/95/415238895.db2.gz CBLDOLYUEWSAHL-KGLIPLIRSA-N 0 0 324.425 0.902 50 0 DCAARN CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccn[nH]2)cc1 ZINC000044967018 415240847 /nfs/dbraw/zinc/24/08/47/415240847.db2.gz ZSIFDKYQIMYBLO-UHFFFAOYSA-N 0 0 308.363 0.389 50 0 DCAARN CC(C)c1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)[nH]n1 ZINC000045037556 415242021 /nfs/dbraw/zinc/24/20/21/415242021.db2.gz BAVWSWBABRYMRM-UHFFFAOYSA-N 0 0 305.338 0.347 50 0 DCAARN C[C@@H]1CN(CCNC(=O)NCCNc2cnccn2)C[C@H](C)O1 ZINC000045524010 415246056 /nfs/dbraw/zinc/24/60/56/415246056.db2.gz WSPSCVGJIDLRQS-BETUJISGSA-N 0 0 322.413 0.297 50 0 DCAARN C[C@H]1CN(CCNC(=O)NCCNc2cnccn2)C[C@H](C)O1 ZINC000045524012 415248654 /nfs/dbraw/zinc/24/86/54/415248654.db2.gz WSPSCVGJIDLRQS-STQMWFEESA-N 0 0 322.413 0.297 50 0 DCAARN C[C@H](NC(=O)NCCNS(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000045653323 415251314 /nfs/dbraw/zinc/25/13/14/415251314.db2.gz CHPCIOMZSMTOEL-QMMMGPOBSA-N 0 0 321.349 0.874 50 0 DCAARN COC(=O)C1(NS(=O)(=O)N2CCOCC2)CCCCCC1 ZINC000045805916 415252079 /nfs/dbraw/zinc/25/20/79/415252079.db2.gz LBYFVAYFCQSSJQ-UHFFFAOYSA-N 0 0 320.411 0.419 50 0 DCAARN COc1ccc2nnc(C(=O)NCCN3CCOCC3)nc2c1 ZINC000046088291 415254147 /nfs/dbraw/zinc/25/41/47/415254147.db2.gz DLYFPTPWSJEMIG-UHFFFAOYSA-N 0 0 317.349 0.095 50 0 DCAARN O=C(NCc1nnc2n1CCC2)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000046329940 415258025 /nfs/dbraw/zinc/25/80/25/415258025.db2.gz MYSPTBDZKGYANI-LLVKDONJSA-N 0 0 303.366 0.099 50 0 DCAARN O=C(NCc1nnc2n1CCC2)[C@H]1CC(=O)N(CC2CC2)C1 ZINC000046329942 415259323 /nfs/dbraw/zinc/25/93/23/415259323.db2.gz MYSPTBDZKGYANI-NSHDSACASA-N 0 0 303.366 0.099 50 0 DCAARN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000047502050 415270898 /nfs/dbraw/zinc/27/08/98/415270898.db2.gz FIKWPUONUYIIAQ-LURJTMIESA-N 0 0 324.280 0.767 50 0 DCAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CCC(=O)NC1 ZINC000047721868 415277795 /nfs/dbraw/zinc/27/77/95/415277795.db2.gz IYDPZDWUDLXMEH-LBPRGKRZSA-N 0 0 304.346 0.942 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@H]1COc2ccccc2O1 ZINC000044457205 415222670 /nfs/dbraw/zinc/22/26/70/415222670.db2.gz IWWUCYVKPMFYQM-GXFFZTMASA-N 0 0 311.359 0.377 50 0 DCAARN CCCn1nc(C(=O)NC2CCN(C(C)=O)CC2)ccc1=O ZINC000044870857 415229161 /nfs/dbraw/zinc/22/91/61/415229161.db2.gz SMSOCGZLWDRSMF-UHFFFAOYSA-N 0 0 306.366 0.394 50 0 DCAARN NC(=O)CN1CCC(NC(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC000044907694 415231210 /nfs/dbraw/zinc/23/12/10/415231210.db2.gz VMYYGCDAAAXYGK-UHFFFAOYSA-N 0 0 318.352 0.987 50 0 DCAARN O=C(Nc1ccc(-n2ccnc2)nc1)N[C@H]1CCS(=O)(=O)C1 ZINC000048333787 415290416 /nfs/dbraw/zinc/29/04/16/415290416.db2.gz AEXUZFNZNXSFQS-NSHDSACASA-N 0 0 321.362 0.576 50 0 DCAARN NC(=O)c1cnc2n1CCN(C(=O)c1ccc3c(c1)CCO3)C2 ZINC000067885851 415391331 /nfs/dbraw/zinc/39/13/31/415391331.db2.gz WIFONJHKMACGRK-UHFFFAOYSA-N 0 0 312.329 0.573 50 0 DCAARN C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H](c2ccccc2)O1 ZINC000071827260 415410577 /nfs/dbraw/zinc/41/05/77/415410577.db2.gz GTFHKGHMFKMVJC-DGCLKSJQSA-N 0 0 317.345 0.527 50 0 DCAARN CC(C)CS(=O)(=O)CC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000071829539 415410700 /nfs/dbraw/zinc/41/07/00/415410700.db2.gz PQQKSSOGWHDONR-WDEREUQCSA-N 0 0 304.412 0.170 50 0 DCAARN C[C@H](Cn1cncn1)NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000066579569 415364059 /nfs/dbraw/zinc/36/40/59/415364059.db2.gz SMIWVNUGJVJLFU-SNVBAGLBSA-N 0 0 308.363 0.675 50 0 DCAARN CCc1ncc2c(n1)CN(C(=O)[C@@H](CC)N1CCOCC1)C2 ZINC000067833656 415385118 /nfs/dbraw/zinc/38/51/18/415385118.db2.gz IISYNQUWDCNFRU-CQSZACIVSA-N 0 0 304.394 0.992 50 0 DCAARN Cn1nnc2cc(C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)ccc21 ZINC000067867492 415390109 /nfs/dbraw/zinc/39/01/09/415390109.db2.gz WODDRAAVFQURMP-SNVBAGLBSA-N 0 0 313.361 0.709 50 0 DCAARN O=C(NC(CO)CO)c1cc(COc2cccc(F)c2)n[nH]1 ZINC000067886528 415390670 /nfs/dbraw/zinc/39/06/70/415390670.db2.gz BMSWPMYXCCHWLM-UHFFFAOYSA-N 0 0 309.297 0.211 50 0 DCAARN O=C(CN(CC1CCC1)CC(F)(F)F)N1CCNC(=O)C1 ZINC000084136424 415491979 /nfs/dbraw/zinc/49/19/79/415491979.db2.gz JJJCWSFSIPBQNW-UHFFFAOYSA-N 0 0 307.316 0.609 50 0 DCAARN NC(=O)c1ccc(CN2CCO[C@H](Cn3cncn3)C2)cc1 ZINC000075132052 415436416 /nfs/dbraw/zinc/43/64/16/415436416.db2.gz SBZAHDXPOJPDOL-AWEZNQCLSA-N 0 0 301.350 0.278 50 0 DCAARN CO[C@H](C)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000075127512 415436627 /nfs/dbraw/zinc/43/66/27/415436627.db2.gz ACZKOELAEQMFCX-QWHCGFSZSA-N 0 0 311.426 0.613 50 0 DCAARN CCc1nc(CN2CCO[C@@H](Cn3nc(C)nc3C)C2)no1 ZINC000075133046 415438350 /nfs/dbraw/zinc/43/83/50/415438350.db2.gz HVTMGLNMDQRHOB-GFCCVEGCSA-N 0 0 306.370 0.741 50 0 DCAARN COc1cccc(-c2cc(C(=O)N[C@H]3CNC(=O)C3)[nH]n2)c1 ZINC000075158221 415440277 /nfs/dbraw/zinc/44/02/77/415440277.db2.gz JVSCMZXJZDIAPJ-SNVBAGLBSA-N 0 0 300.318 0.704 50 0 DCAARN Cc1nc([C@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)no1 ZINC000075573175 415444995 /nfs/dbraw/zinc/44/49/95/415444995.db2.gz BKTXHMKWPZDZOU-LLVKDONJSA-N 0 0 305.338 0.113 50 0 DCAARN Cn1c(=O)[nH]c2c(nsc2C(=O)N2CCCCCC2)c1=O ZINC000075530948 415447094 /nfs/dbraw/zinc/44/70/94/415447094.db2.gz WUQHQMWLRLTADQ-UHFFFAOYSA-N 0 0 308.363 0.700 50 0 DCAARN O=C(c1cc2ccccc2c(=O)[nH]1)N1CCN(CCO)CC1 ZINC000075572144 415448293 /nfs/dbraw/zinc/44/82/93/415448293.db2.gz IVYDIGAWBYGFCJ-UHFFFAOYSA-N 0 0 301.346 0.278 50 0 DCAARN CN(C)S(=O)(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000079284851 415470926 /nfs/dbraw/zinc/47/09/26/415470926.db2.gz OJUGCMRDNBRQLE-UHFFFAOYSA-N 0 0 311.407 0.705 50 0 DCAARN COC(=O)[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(C)C ZINC000080330625 415475782 /nfs/dbraw/zinc/47/57/82/415475782.db2.gz JVCPZKJZUNKQQG-GFCCVEGCSA-N 0 0 321.381 0.506 50 0 DCAARN COCC(=O)N1CCCN(c2ncnc3oc(C)nc32)CC1 ZINC000091254255 415535698 /nfs/dbraw/zinc/53/56/98/415535698.db2.gz VISARKLDXGVLFP-UHFFFAOYSA-N 0 0 305.338 0.611 50 0 DCAARN C[C@@H](C(=O)N1CCC[C@H]1Cn1cccn1)N1CCN(C)CC1 ZINC000095364974 415551650 /nfs/dbraw/zinc/55/16/50/415551650.db2.gz SVHMWPKVSMIIEJ-GJZGRUSLSA-N 0 0 305.426 0.510 50 0 DCAARN CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccnc(N)c1)C2 ZINC000095366788 415554291 /nfs/dbraw/zinc/55/42/91/415554291.db2.gz ZAOPKGZLWYFQDJ-WCQYABFASA-N 0 0 317.393 0.882 50 0 DCAARN CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)CO)CC2 ZINC000095389327 415556119 /nfs/dbraw/zinc/55/61/19/415556119.db2.gz OMIOJAICDKBVFR-AWEZNQCLSA-N 0 0 302.374 0.986 50 0 DCAARN CCc1ncc(C(=O)NCCn2c(C)cc(C)nc2=O)cn1 ZINC000095384149 415557218 /nfs/dbraw/zinc/55/72/18/415557218.db2.gz MCUFNOBQRZSBMC-UHFFFAOYSA-N 0 0 301.350 0.643 50 0 DCAARN CC[C@H](C(=O)NC)n1cc(-c2ccc(-c3nn[nH]n3)cc2)nn1 ZINC000095379901 415559743 /nfs/dbraw/zinc/55/97/43/415559743.db2.gz XPOJSDNGRWPJFC-GFCCVEGCSA-N 0 0 312.337 0.822 50 0 DCAARN Cc1noc(C)c1[C@H](C)C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000095960849 415567878 /nfs/dbraw/zinc/56/78/78/415567878.db2.gz DCVQBMZFBXCMIN-ZETCQYMHSA-N 0 0 306.322 0.431 50 0 DCAARN CC[C@](NC(=O)c1ccc2c(c1)nnn2C)(C(N)=O)C(C)C ZINC000096005972 415568401 /nfs/dbraw/zinc/56/84/01/415568401.db2.gz RPRGIKPPJOZSPZ-OAHLLOKOSA-N 0 0 303.366 0.988 50 0 DCAARN Cc1occc1C(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000096012440 415573480 /nfs/dbraw/zinc/57/34/80/415573480.db2.gz IDQWNVYVVMSVST-NWDGAFQWSA-N 0 0 307.350 0.478 50 0 DCAARN C[C@@H]1CN(C[C@@H](O)Cn2cnc3sccc3c2=O)C[C@@H](C)O1 ZINC000106830537 415649636 /nfs/dbraw/zinc/64/96/36/415649636.db2.gz GSTXRNABKYSWEI-IJLUTSLNSA-N 0 0 323.418 0.928 50 0 DCAARN O=C([O-])[C@H]1CN(C(=O)c2cn[nH]n2)CC[N@@H+](C2CCCC2)C1 ZINC000097156036 415584886 /nfs/dbraw/zinc/58/48/86/415584886.db2.gz FUVQTEFBBWSPAW-SNVBAGLBSA-N 0 0 307.354 0.206 50 0 DCAARN NS(=O)(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000100312837 415592334 /nfs/dbraw/zinc/59/23/34/415592334.db2.gz YPFHKBFGEADHCD-RYUDHWBXSA-N 0 0 306.343 0.790 50 0 DCAARN CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(C)C[C@@H]1C ZINC000107580855 415669288 /nfs/dbraw/zinc/66/92/88/415669288.db2.gz OPGKQUVANHPCDW-GXTWGEPZSA-N 0 0 304.394 0.819 50 0 DCAARN Cc1cc(C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)nc(C)n1 ZINC000356334320 415902118 /nfs/dbraw/zinc/90/21/18/415902118.db2.gz DVEACVVDTDTBQY-LBPRGKRZSA-N 0 0 311.407 0.990 50 0 DCAARN Cn1c(CO)nnc1C1CCN(C(=O)C[C@H]2CCCOC2)CC1 ZINC000299755816 416064186 /nfs/dbraw/zinc/06/41/86/416064186.db2.gz DDXBDKYHEFNEMY-GFCCVEGCSA-N 0 0 322.409 0.830 50 0 DCAARN CN(CC(=O)N1CC(c2ccncc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000299781943 416066662 /nfs/dbraw/zinc/06/66/62/416066662.db2.gz WHTHGGZNQHSUTE-CQSZACIVSA-N 0 0 323.418 0.126 50 0 DCAARN Cc1[nH]nc(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)c1Cl ZINC000299780467 416066972 /nfs/dbraw/zinc/06/69/72/416066972.db2.gz SHAVQNCZHLKRGA-SSDOTTSWSA-N 0 0 306.775 0.122 50 0 DCAARN O=C(CCc1cccnc1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299777176 416067076 /nfs/dbraw/zinc/06/70/76/416067076.db2.gz JTUDTMZZFBILLO-LSDHHAIUSA-N 0 0 313.361 0.978 50 0 DCAARN CCN1C[C@@]2(CCCN(C(=O)Cn3nccn3)C2)CCC1=O ZINC000299783797 416067677 /nfs/dbraw/zinc/06/76/77/416067677.db2.gz YIXJBKCMIBTIFJ-OAHLLOKOSA-N 0 0 305.382 0.529 50 0 DCAARN COc1cccc(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)c1O ZINC000299778456 416068394 /nfs/dbraw/zinc/06/83/94/416068394.db2.gz HIINHNONFOCUMR-SECBINFHSA-N 0 0 314.363 0.151 50 0 DCAARN Cc1nsc(N2CCN(C(=O)CCc3ccncn3)CC2)n1 ZINC000191826773 416289592 /nfs/dbraw/zinc/28/95/92/416289592.db2.gz CIMJRQRCYISFSE-UHFFFAOYSA-N 0 0 318.406 0.918 50 0 DCAARN CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCc1cn2c(n1)CCCC2 ZINC000331531428 416323975 /nfs/dbraw/zinc/32/39/75/416323975.db2.gz UHAYKSSNKRQPRF-QWHCGFSZSA-N 0 0 319.409 0.933 50 0 DCAARN O=C(NCc1nnnn1-c1ccccc1)c1n[nH]c2c1CCC2 ZINC000215301431 416327071 /nfs/dbraw/zinc/32/70/71/416327071.db2.gz LLGDDGAAAFSGBU-UHFFFAOYSA-N 0 0 309.333 0.804 50 0 DCAARN Cc1nn(CCO)cc1CN1CCC[C@H]1C(=O)N1CCOCC1 ZINC000216355142 416327325 /nfs/dbraw/zinc/32/73/25/416327325.db2.gz FBHWJJGVPPNIKJ-HNNXBMFYSA-N 0 0 322.409 0.007 50 0 DCAARN COc1ccc([C@H](NC(=O)CNC(N)=O)c2ccncc2)cc1 ZINC000216345959 416327540 /nfs/dbraw/zinc/32/75/40/416327540.db2.gz KVGGODDIGMWVDT-HNNXBMFYSA-N 0 0 314.345 0.964 50 0 DCAARN C[C@@H]1CC[C@@H](NC(=O)N2CCC(CS(N)(=O)=O)CC2)C1 ZINC000225699841 416327746 /nfs/dbraw/zinc/32/77/46/416327746.db2.gz UEDYRMIKPYMYEU-ZYHUDNBSSA-N 0 0 303.428 0.885 50 0 DCAARN C[C@H]1CN(C)c2ccccc2CN1C(=O)CN1CCNCC1=O ZINC000237661724 416328528 /nfs/dbraw/zinc/32/85/28/416328528.db2.gz VPJHBQWTVDEGLD-ZDUSSCGKSA-N 0 0 316.405 0.285 50 0 DCAARN CCOC(=O)CC1(S(=O)(=O)N(C)CC(=O)NC(C)C)CC1 ZINC000241965658 416330352 /nfs/dbraw/zinc/33/03/52/416330352.db2.gz UUULFLVRNJBJIH-UHFFFAOYSA-N 0 0 320.411 0.258 50 0 DCAARN CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCc1cc(C(C)C)on1 ZINC000244673584 416330896 /nfs/dbraw/zinc/33/08/96/416330896.db2.gz HRZLDAVHPYTNDK-ZDUSSCGKSA-N 0 0 319.365 0.885 50 0 DCAARN Cn1nc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[N@H+](C)C2)c2ccccc21 ZINC000244659693 416330911 /nfs/dbraw/zinc/33/09/11/416330911.db2.gz HHHVRFITSWDXDL-CABZTGNLSA-N 0 0 302.334 0.460 50 0 DCAARN CCc1ccc(C(=O)N[C@H]2C[C@@H](c3nnc(CO)n3C)C2)[nH]1 ZINC000244716324 416331009 /nfs/dbraw/zinc/33/10/09/416331009.db2.gz LNAGNLCCVJRJDP-JGZJWPJOSA-N 0 0 303.366 0.874 50 0 DCAARN CCNC(=O)[C@@H](C)NS(=O)(=O)CCOCC1CCCC1 ZINC000416377698 416367769 /nfs/dbraw/zinc/36/77/69/416367769.db2.gz XYHKPMZIQRKHFU-LLVKDONJSA-N 0 0 306.428 0.637 50 0 DCAARN O=C(COCC(F)(F)F)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583619023 416481066 /nfs/dbraw/zinc/48/10/66/416481066.db2.gz VTXCRBWLKQVQNT-JTQLQIEISA-N 0 0 308.260 0.194 50 0 DCAARN COc1ccc(S(=O)(=O)N(C)[C@]2(CO)CCOC2)c(C)c1 ZINC000583651847 416481646 /nfs/dbraw/zinc/48/16/46/416481646.db2.gz UGQZCYUKWWZQGM-AWEZNQCLSA-N 0 0 315.391 0.776 50 0 DCAARN CC[NH+]1CCN(C(C)(C)CNc2nccnc2C(=O)[O-])CC1 ZINC000584887061 416516457 /nfs/dbraw/zinc/51/64/57/416516457.db2.gz HTPLNAFKTPKTGT-UHFFFAOYSA-N 0 0 307.398 1.003 50 0 DCAARN Nc1nc(CNC(=O)[C@@H]2CCCCN2C(=O)C2CC2)cs1 ZINC000584896440 416516870 /nfs/dbraw/zinc/51/68/70/416516870.db2.gz CBDPQNWEGAJBNH-NSHDSACASA-N 0 0 308.407 1.133 50 0 DCAARN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1ccn2nnnc2c1 ZINC000614708047 416693415 /nfs/dbraw/zinc/69/34/15/416693415.db2.gz DCCROBMESAQOQA-APPZFPTMSA-N 0 0 315.255 0.916 50 0 DCAARN Cc1nn2c(nc(C)cc2C)c1C(=O)NCCc1nc(N)n[nH]1 ZINC000426512114 416772477 /nfs/dbraw/zinc/77/24/77/416772477.db2.gz KHHMYZRPSXPOFE-UHFFFAOYSA-N 0 0 314.353 0.327 50 0 DCAARN OC1CN(c2nc(NC3CCCC3)cc([C@H]3CCOC3)n2)C1 ZINC000426594765 416779006 /nfs/dbraw/zinc/77/90/06/416779006.db2.gz BUUBLSSGDQTCAS-NSHDSACASA-N 0 0 304.394 1.516 50 0 DCAARN COC[C@@]1(C)CN(C(=O)NCC[C@]2(O)CCCOC2)CCO1 ZINC000624304487 417003919 /nfs/dbraw/zinc/00/39/19/417003919.db2.gz IBFVYTDFCYPSHW-HUUCEWRRSA-N 0 0 316.398 0.365 50 0 DCAARN CCOc1ncc(C)cc1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000295765352 225208313 /nfs/dbraw/zinc/20/83/13/225208313.db2.gz QPXQMILXIAMANF-UHFFFAOYSA-N 0 0 304.306 0.840 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2noc(C)c2C)C1 ZINC000452161946 417457684 /nfs/dbraw/zinc/45/76/84/417457684.db2.gz KZEWJIGNQCPLMR-LLVKDONJSA-N 0 0 315.395 1.292 50 0 DCAARN CCOc1ccc(S(=O)(=O)NC[C@@]2(O)CCOC2)cc1F ZINC000575415695 417535966 /nfs/dbraw/zinc/53/59/66/417535966.db2.gz QMZSQJXKARKFNP-ZDUSSCGKSA-N 0 0 319.354 0.654 50 0 DCAARN COCCC1(NS(C)(=O)=O)CCN(C(=O)N(C)C)CC1 ZINC000575545113 417540369 /nfs/dbraw/zinc/54/03/69/417540369.db2.gz IITGRPUACXWZCQ-UHFFFAOYSA-N 0 0 307.416 0.088 50 0 DCAARN COCCC1(NS(C)(=O)=O)CCN(C(=O)NC(C)C)CC1 ZINC000575544137 417540380 /nfs/dbraw/zinc/54/03/80/417540380.db2.gz BYNQTXJFUYSSAT-UHFFFAOYSA-N 0 0 321.443 0.525 50 0 DCAARN CCOC(=O)CC(=O)Nc1cc(C)ccc1S(N)(=O)=O ZINC000575615830 417540939 /nfs/dbraw/zinc/54/09/39/417540939.db2.gz JXUPOAIUNXNVCU-UHFFFAOYSA-N 0 0 300.336 0.534 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](OCC2CC2)C1 ZINC000575609631 417541304 /nfs/dbraw/zinc/54/13/04/417541304.db2.gz YEVONSGWLULAQE-VXGBXAGGSA-N 0 0 302.396 0.384 50 0 DCAARN C[C@@H]1OCCN(C(=O)[C@H]2CCCS2(=O)=O)[C@@H]1C(F)(F)F ZINC000622981824 417522235 /nfs/dbraw/zinc/52/22/35/417522235.db2.gz HFCJXRWEMQMSDB-YIZRAAEISA-N 0 0 315.313 0.742 50 0 DCAARN Cn1ncc(C2CCC2)c1CNS(=O)(=O)c1ccnn1C ZINC000657197627 417836032 /nfs/dbraw/zinc/83/60/32/417836032.db2.gz MYGKGKYHTQIBEN-UHFFFAOYSA-N 0 0 309.395 0.900 50 0 DCAARN COc1cccc(CC(=O)N2CCN(Cc3nc[nH]n3)CC2)c1 ZINC000652905310 417995389 /nfs/dbraw/zinc/99/53/89/417995389.db2.gz OJQLZRGOQOINBU-UHFFFAOYSA-N 0 0 315.377 0.700 50 0 DCAARN O=C(c1cccc(CO)c1)N1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000368026316 262144364 /nfs/dbraw/zinc/14/43/64/262144364.db2.gz FHUAAFVKXIZOEJ-CQSZACIVSA-N 0 0 324.402 0.475 50 0 DCAARN CCS(=O)(=O)NCCCn1nc(-c2ccco2)ccc1=O ZINC000013799617 262508332 /nfs/dbraw/zinc/50/83/32/262508332.db2.gz IWGGPLASJJBFMN-UHFFFAOYSA-N 0 0 311.363 0.833 50 0 DCAARN CNC(=O)Cc1noc(CN2CCc3ccc(OC)cc3C2)n1 ZINC000494510247 272224516 /nfs/dbraw/zinc/22/45/16/272224516.db2.gz OURNXGIJTJPAOE-UHFFFAOYSA-N 0 0 316.361 0.925 50 0 DCAARN CN(C)C(=O)C1(NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC000496777872 272343171 /nfs/dbraw/zinc/34/31/71/272343171.db2.gz NUWNFZPYCIUVBE-SNVBAGLBSA-N 0 0 311.382 0.733 50 0 DCAARN CNC(=O)[C@@H]1Cc2ccccc2CN1C[C@H](O)Cn1cccn1 ZINC000044975409 277246958 /nfs/dbraw/zinc/24/69/58/277246958.db2.gz STSUXZNYKFNJBX-HOTGVXAUSA-N 0 0 314.389 0.417 50 0 DCAARN C[C@H]1C(=O)NCCN1C(=O)CN1C(=O)CSc2ccccc21 ZINC000065587033 278319516 /nfs/dbraw/zinc/31/95/16/278319516.db2.gz HZJWUCIWOYXFFT-JTQLQIEISA-N 0 0 319.386 0.472 50 0 DCAARN CC(C)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCc2nnnn2CC1 ZINC000328598739 279013389 /nfs/dbraw/zinc/01/33/89/279013389.db2.gz OGQMAGUNHWZBLV-VXGBXAGGSA-N 0 0 320.397 0.839 50 0 DCAARN CC(C)N(C(=O)NC(=O)Nc1ccccn1)S(C)(=O)=O ZINC000006244434 279293179 /nfs/dbraw/zinc/29/31/79/279293179.db2.gz KKLHWQBIVKAIQT-UHFFFAOYSA-N 0 0 300.340 0.993 50 0 DCAARN Cn1cccc1C(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000065084006 279367557 /nfs/dbraw/zinc/36/75/57/279367557.db2.gz VLZKTNLSXXDQKO-UHFFFAOYSA-N 0 0 315.329 0.785 50 0 DCAARN Cn1cccc1C(=O)C(=O)N1CCC2(CC1)CN(C)C(=O)CO2 ZINC000216019122 279367703 /nfs/dbraw/zinc/36/77/03/279367703.db2.gz BHQNFUYCQMZJIE-UHFFFAOYSA-N 0 0 319.361 0.058 50 0 DCAARN Cc1nc([C@H]2CN(c3nnnn3-c3ccccc3)CCO2)no1 ZINC000242389221 282003063 /nfs/dbraw/zinc/00/30/63/282003063.db2.gz ZVHMODQRTZNVMS-GFCCVEGCSA-N 0 0 313.321 0.932 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000072242142 288965121 /nfs/dbraw/zinc/96/51/21/288965121.db2.gz APOMQEYJQYGAGI-IUODEOHRSA-N 0 0 321.352 0.550 50 0 DCAARN Cc1n[nH]c(C)c1C[N@@H+]1C[C@H](CC(=O)[O-])[C@H](c2cn(C)nn2)C1 ZINC000299772856 293099326 /nfs/dbraw/zinc/09/93/26/293099326.db2.gz AZLSLRXIJOCWPU-WCQYABFASA-N 0 0 318.381 0.845 50 0 DCAARN CS(=O)(=O)CCCNC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000096256177 295496514 /nfs/dbraw/zinc/49/65/14/295496514.db2.gz RFZXDKWZGRIMCM-XQRVVYSFSA-N 0 0 311.359 0.979 50 0 DCAARN O=C(Cn1cnnn1)N1CCC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000072130984 295563723 /nfs/dbraw/zinc/56/37/23/295563723.db2.gz MLVVEZVHMPEMHN-HNNXBMFYSA-N 0 0 312.333 0.186 50 0 DCAARN Cc1cnc(N2CCC(N3CCS(=O)(=O)CC3)CC2)nc1 ZINC000225602920 302348117 /nfs/dbraw/zinc/34/81/17/302348117.db2.gz FTNFGZMLIHKZOL-UHFFFAOYSA-N 0 0 310.423 0.484 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ncccc1Br ZINC000299742353 303312171 /nfs/dbraw/zinc/31/21/71/303312171.db2.gz HGAYTERZODFWSK-SVRRBLITSA-N 0 0 316.130 0.882 50 0 DCAARN [NH3+][C@H]1CN(S(=O)(=O)c2ccccc2C(=O)[O-])C[C@@H]1C1CC1 ZINC000091694262 303490094 /nfs/dbraw/zinc/49/00/94/303490094.db2.gz XFDWVSVNEOGFAV-NEPJUHHUSA-N 0 0 310.375 0.743 50 0 DCAARN O=C(N1CCCC1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 ZINC000072480298 303670468 /nfs/dbraw/zinc/67/04/68/303670468.db2.gz FWMPXEYAHOMZPD-UONOGXRCSA-N 0 0 309.410 0.898 50 0 DCAARN COCCc1noc(CNS(=O)(=O)c2c(C)n[nH]c2C)n1 ZINC000534576806 334287783 /nfs/dbraw/zinc/28/77/83/334287783.db2.gz ZTQXZZRIZAOZJR-UHFFFAOYSA-N 0 0 315.355 0.077 50 0 DCAARN CC(C)[C@H](NC(=O)N1CCN(CCCO)CC1)c1nccn1C ZINC000534633018 334308251 /nfs/dbraw/zinc/30/82/51/334308251.db2.gz BPQXLZJLVMSEHG-AWEZNQCLSA-N 0 0 323.441 0.827 50 0 DCAARN CCS(=O)(=O)[C@@H](C)C(=O)NCC1(CN2CCOCC2)CC1 ZINC000534650470 334311610 /nfs/dbraw/zinc/31/16/10/334311610.db2.gz RGVYCDZCTCKATM-LBPRGKRZSA-N 0 0 318.439 0.038 50 0 DCAARN COCCN1CCN(C(=O)NCC2(Cn3ccnc3)CC2)CC1 ZINC000534653791 334312984 /nfs/dbraw/zinc/31/29/84/334312984.db2.gz AAMWSSRQPQUYBJ-UHFFFAOYSA-N 0 0 321.425 0.637 50 0 DCAARN CCn1nc(C)cc1S(=O)(=O)NCc1noc(C2CC2)n1 ZINC000534648369 334316398 /nfs/dbraw/zinc/31/63/98/334316398.db2.gz OTNUQIVOPPABPZ-UHFFFAOYSA-N 0 0 311.367 0.950 50 0 DCAARN CO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1ccc(C)c(F)c1 ZINC000534673852 334321455 /nfs/dbraw/zinc/32/14/55/334321455.db2.gz ANXWVCXSSDZQRX-STQMWFEESA-N 0 0 302.371 0.741 50 0 DCAARN O=C1NC2(CCOCC2)C(=O)N1[C@H]1Cc2cccc(O)c2C1 ZINC000348626656 341954332 /nfs/dbraw/zinc/95/43/32/341954332.db2.gz SCYLZARWZMYSGL-NSHDSACASA-N 0 0 302.330 0.960 50 0 DCAARN COc1cccc([C@H]2CCCN2C(=O)CN2CCNC(=O)C2)c1 ZINC000051379787 533789165 /nfs/dbraw/zinc/78/91/65/533789165.db2.gz NPBNPGBFQZEHFN-OAHLLOKOSA-N 0 0 317.389 0.791 50 0 DCAARN Cc1cccc(=O)n1CCCNC(=O)[C@@H]1CC(=O)N(C)C1(C)C ZINC000299778952 534580272 /nfs/dbraw/zinc/58/02/72/534580272.db2.gz PWWOHRYRBYUJQY-ZDUSSCGKSA-N 0 0 319.405 0.920 50 0 DCAARN Cc1n[nH]c(C)c1NC(=O)CN1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000246576928 526498252 /nfs/dbraw/zinc/49/82/52/526498252.db2.gz ARVMZPBBBBDZME-MNOVXSKESA-N 0 0 314.411 0.472 50 0 DCAARN CC(C)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(CO)cc1 ZINC000408523863 528365975 /nfs/dbraw/zinc/36/59/75/528365975.db2.gz VSEIIZBOTUIYQU-OAHLLOKOSA-N 0 0 320.389 0.931 50 0 DCAARN CC(C)N1C(=O)CN(C(=O)CCN2C(=O)CCC2=O)CC1(C)C ZINC000330927907 528971505 /nfs/dbraw/zinc/97/15/05/528971505.db2.gz YULCHUYSEQLGNY-UHFFFAOYSA-N 0 0 323.393 0.383 50 0 DCAARN CCS(=O)(=O)N1CC[C@H](Oc2cc(N(C)C)ncn2)C1 ZINC000065269353 545659422 /nfs/dbraw/zinc/65/94/22/545659422.db2.gz WMVINKFUPREGLN-JTQLQIEISA-N 0 0 300.384 0.345 50 0 DCAARN CCc1nccc(CN2CCN(c3ccnc4nncn43)CC2)n1 ZINC000215947661 545938408 /nfs/dbraw/zinc/93/84/08/545938408.db2.gz MZWLAFFRWMBNTC-UHFFFAOYSA-N 0 0 324.392 0.799 50 0 DCAARN Cc1cc(N)n(CC(=O)N2CCC[C@@H](N3CCCC3=O)C2)n1 ZINC000215963446 545938714 /nfs/dbraw/zinc/93/87/14/545938714.db2.gz AKQPRTYCLBEYDL-GFCCVEGCSA-N 0 0 305.382 0.387 50 0 DCAARN O=C(Cn1nccn1)N[C@@H]1COCC[C@@H]1OCc1cscn1 ZINC000218795437 545940622 /nfs/dbraw/zinc/94/06/22/545940622.db2.gz PQDRXUYKYJSSSE-NEPJUHHUSA-N 0 0 323.378 0.225 50 0 DCAARN O=C(CN1CCOCC1)N1CCC(Oc2cccnc2)CC1 ZINC000222785982 545942549 /nfs/dbraw/zinc/94/25/49/545942549.db2.gz TYIYZKFVCYSNTF-UHFFFAOYSA-N 0 0 305.378 0.784 50 0 DCAARN CCCc1nnc(NC(=O)N[C@@H]2CCc3c(nnn3C)C2)s1 ZINC000585090813 546303243 /nfs/dbraw/zinc/30/32/43/546303243.db2.gz NBWCGLOGZKNNDB-MRVPVSSYSA-N 0 0 321.410 1.298 50 0 DCAARN O=C(c1cc(=O)nc2sccn21)N1CCN2C(=O)OC[C@H]2C1 ZINC000670437429 547090069 /nfs/dbraw/zinc/09/00/69/547090069.db2.gz RXWPGUAOYQIOII-MRVPVSSYSA-N 0 0 320.330 0.033 50 0 DCAARN O=C(CCCN1CCCC1=O)NCCCn1ccccc1=O ZINC000670437333 547090487 /nfs/dbraw/zinc/09/04/87/547090487.db2.gz AFTXYAICYJQYFR-UHFFFAOYSA-N 0 0 305.378 0.757 50 0 DCAARN CN(C)C1=NC2(CCN(C(=O)Cc3ccsc3)CC2)C(=O)N1 ZINC000670452350 547096766 /nfs/dbraw/zinc/09/67/66/547096766.db2.gz PVNOGRPSYGQSHL-UHFFFAOYSA-N 0 0 320.418 0.699 50 0 DCAARN CN1C[C@@H](CNC(=O)CCCOCc2ccccc2)OCC1=O ZINC000670454844 547098090 /nfs/dbraw/zinc/09/80/90/547098090.db2.gz XSPUZLQFVFZMHY-OAHLLOKOSA-N 0 0 320.389 0.957 50 0 DCAARN O=C(CSc1ccccn1)NC1CCS(=O)(=O)CC1 ZINC000670466131 547099051 /nfs/dbraw/zinc/09/90/51/547099051.db2.gz GDAVNAVUWGLWNS-UHFFFAOYSA-N 0 0 300.405 0.867 50 0 DCAARN COc1nc2c(cc1C(=O)NCCc1ncnn1C)CCC2 ZINC000670474359 547103041 /nfs/dbraw/zinc/10/30/41/547103041.db2.gz WRQCHSBYTJTOAP-UHFFFAOYSA-N 0 0 301.350 0.680 50 0 DCAARN COc1ccc(C[C@](C)(O)CNC(=O)N2CCNC2=O)cc1 ZINC000206706568 563635526 /nfs/dbraw/zinc/63/55/26/563635526.db2.gz XSMBHPKGZZRYHX-HNNXBMFYSA-N 0 0 307.350 0.724 50 0 DCAARN O=S(=O)(CCC(F)(F)F)N[C@@H]1C[C@@H](O)C12CCOCC2 ZINC000685940630 548747052 /nfs/dbraw/zinc/74/70/52/548747052.db2.gz DVHXNSXXIUMTSB-RKDXNWHRSA-N 0 0 317.329 0.788 50 0 DCAARN O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1cn2c(n1)CCC2 ZINC000685941848 548747266 /nfs/dbraw/zinc/74/72/66/548747266.db2.gz JMMWFDWEQDSDRM-NWDGAFQWSA-N 0 0 303.322 0.129 50 0 DCAARN O=C([O-])c1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCc2ccccc2C1 ZINC000206582444 563620196 /nfs/dbraw/zinc/62/01/96/563620196.db2.gz CJQPMVWHOCUYEE-UHFFFAOYSA-N 0 0 301.302 0.320 50 0 DCAARN COCCNC(=O)C(=O)NCC[C@H](CCO)c1ccccc1 ZINC000206628359 563623598 /nfs/dbraw/zinc/62/35/98/563623598.db2.gz NFAGRIVQEFNGHQ-CQSZACIVSA-N 0 0 308.378 0.422 50 0 DCAARN COc1cccc(CNCc2cn(C)c(=O)n(C)c2=O)c1F ZINC000888100047 661180159 /nfs/dbraw/zinc/18/01/59/661180159.db2.gz ZXRYKTYBOAFQGP-UHFFFAOYSA-N 0 0 307.325 0.522 50 0 DCAARN Cc1ncc(S(C)(=O)=O)c(N(C)CCCc2cnn(C)c2)n1 ZINC000095385265 658512202 /nfs/dbraw/zinc/51/22/02/658512202.db2.gz AFHBYSJYUCUGNR-UHFFFAOYSA-N 0 0 323.422 0.991 50 0 DCAARN O=C(Nc1ccc(N2CCOCC2)cn1)[C@@H]1CCCCC(=O)N1 ZINC000193755555 659460883 /nfs/dbraw/zinc/46/08/83/659460883.db2.gz VLCZAHNIFVZZFZ-ZDUSSCGKSA-N 0 0 318.377 0.916 50 0 DCAARN CC(C)c1nnc([C@H](C)NC(=O)CCNS(C)(=O)=O)o1 ZINC000426613046 661661970 /nfs/dbraw/zinc/66/19/70/661661970.db2.gz ZRMRXKCDPLBTIU-QMMMGPOBSA-N 0 0 304.372 0.310 50 0 DCAARN CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCO[C@H](C)C2)cc1 ZINC000026063115 662454637 /nfs/dbraw/zinc/45/46/37/662454637.db2.gz SDYRAOOWMBEILU-FZKGZDJFSA-N 0 0 324.402 0.855 50 0 DCAARN COC[C@@](C)(NC(=O)N(C)CC(C)(CO)CO)C(F)(F)F ZINC000874435584 665174860 /nfs/dbraw/zinc/17/48/60/665174860.db2.gz YMIRMALWFXPMBL-LLVKDONJSA-N 0 0 316.320 0.586 50 0 DCAARN Cc1ccccc1[C@H]1[C@@H](C(=O)NCCO)C[C@@](C)(C(=O)[O-])[N@@H+]1C ZINC000067946174 665380933 /nfs/dbraw/zinc/38/09/33/665380933.db2.gz QIFGSBFXWDUSEG-ZQIUZPCESA-N 0 0 320.389 0.940 50 0 DCAARN Cn1cccc(C(=O)N2CCC(Oc3nncs3)CC2)c1=O ZINC000828185487 668139446 /nfs/dbraw/zinc/13/94/46/668139446.db2.gz XXUYTWHUJABRTK-UHFFFAOYSA-N 0 0 320.374 0.920 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(NCc2ccc(CO)cc2)nc1 ZINC000388941800 685256378 /nfs/dbraw/zinc/25/63/78/685256378.db2.gz DJCXJRJJEDNWFB-UHFFFAOYSA-N 0 0 321.402 0.858 50 0 DCAARN Nc1ccnc(N2CCC(CNC(=O)[C@@H]3CCCO3)CC2)n1 ZINC000952967232 685599141 /nfs/dbraw/zinc/59/91/41/685599141.db2.gz HDSKBLYPPDNPIF-LBPRGKRZSA-N 0 0 305.382 0.570 50 0 DCAARN COCCN(Cc1cccnc1)C(=O)[C@H](C)Cn1cncn1 ZINC000952975247 685599726 /nfs/dbraw/zinc/59/97/26/685599726.db2.gz SMJUTZCROKETBS-CYBMUJFWSA-N 0 0 303.366 0.984 50 0 DCAARN CC[C@@H](O)C(=O)N1CCC(CNC(=O)c2cnccn2)CC1 ZINC000952982457 685601682 /nfs/dbraw/zinc/60/16/82/685601682.db2.gz LVRRVYLKPMZLOU-CYBMUJFWSA-N 0 0 306.366 0.216 50 0 DCAARN CCS(=O)(=O)[C@@H](C)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000952984833 685601861 /nfs/dbraw/zinc/60/18/61/685601861.db2.gz SOVJOZIDLANBRO-VIFPVBQESA-N 0 0 316.345 0.516 50 0 DCAARN O=C1[C@@H]2CCCN2C(=O)[C@H]2CN(Cc3ccsc3)CCN12 ZINC000014740354 685048303 /nfs/dbraw/zinc/04/83/03/685048303.db2.gz ZIVMRAXVPCXFJR-QWHCGFSZSA-N 0 0 305.403 0.766 50 0 DCAARN COc1ccnc(N2CCc3nc(C)n(C)c(=O)c3CC2)n1 ZINC000065373936 685062696 /nfs/dbraw/zinc/06/26/96/685062696.db2.gz OVZPMBCNYKZMOE-UHFFFAOYSA-N 0 0 301.350 0.493 50 0 DCAARN CCc1nn(C)c(NC(=O)N2CCS(=O)(=O)CC2)c1C ZINC000096148393 685111734 /nfs/dbraw/zinc/11/17/34/685111734.db2.gz ZNIUTSSRHUVESC-UHFFFAOYSA-N 0 0 300.384 0.553 50 0 DCAARN Cc1ccc2c(C(=O)N3CC[C@@]4(C3)CNC(=O)CO4)cnn2c1 ZINC001772707969 1157844600 /nfs/dbraw/zinc/84/46/00/1157844600.db2.gz ZSXYJQIIGCUTKS-INIZCTEOSA-N 0 0 314.345 0.374 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)N1CCC([C@H](O)CO)CC1 ZINC001772710237 1157847345 /nfs/dbraw/zinc/84/73/45/1157847345.db2.gz PPEAXZUDKIHVET-OAHLLOKOSA-N 0 0 309.410 0.561 50 0 DCAARN O=C(Cc1cn2ccsc2n1)N1CCC([C@H](O)CO)CC1 ZINC001772712520 1157848774 /nfs/dbraw/zinc/84/87/74/1157848774.db2.gz QXSMVRXGRMYIOG-GFCCVEGCSA-N 0 0 309.391 0.530 50 0 DCAARN CCc1nnc(CN2CCCN(C(=O)C3CCOCC3)CC2)[nH]1 ZINC001772711286 1157849208 /nfs/dbraw/zinc/84/92/08/1157849208.db2.gz ASZIMGORRKXCGH-UHFFFAOYSA-N 0 0 321.425 0.828 50 0 DCAARN C[C@@H](NC(=O)c1ccco1)C(=O)NCC(C)(C)N1CCOCC1 ZINC000169977235 1158408513 /nfs/dbraw/zinc/40/85/13/1158408513.db2.gz ZZIBSCWIZPQKBO-GFCCVEGCSA-N 0 0 323.393 0.625 50 0 DCAARN CCc1nccc(CN2C[C@H]3COC[C@@H]2C[N@H+](CC(=O)[O-])C3)n1 ZINC001704308405 1179968401 /nfs/dbraw/zinc/96/84/01/1179968401.db2.gz QJKJWWDARRZUQU-JSGCOSHPSA-N 0 0 320.393 0.256 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@@]2(CCc3cnc(N)nc32)C1 ZINC001704312033 1179969702 /nfs/dbraw/zinc/96/97/02/1179969702.db2.gz JRJCOMWCVQXYKF-CYBMUJFWSA-N 0 0 311.411 0.145 50 0 DCAARN CC(C)Nc1ncc(CN2C[C@@H]3COC[C@H](C2)N(C)C3=O)cn1 ZINC001704314821 1179970690 /nfs/dbraw/zinc/97/06/90/1179970690.db2.gz VAOGAAAYGHXHTF-KGLIPLIRSA-N 0 0 319.409 0.586 50 0 DCAARN Nc1nc(C(=O)N2C[C@@H](Cc3ccncc3)[C@H](O)C2)cs1 ZINC001704327411 1179973608 /nfs/dbraw/zinc/97/36/08/1179973608.db2.gz DQTLDCYBNUJOCD-ZYHUDNBSSA-N 0 0 304.375 0.796 50 0 DCAARN Cc1ncc(C(=O)N2C[C@@H](Cc3ccncc3)[C@H](O)C2)c(=O)[nH]1 ZINC001704337882 1179977943 /nfs/dbraw/zinc/97/79/43/1179977943.db2.gz GRHVGZCCPKKNKL-TZMCWYRMSA-N 0 0 314.345 0.561 50 0 DCAARN C[C@]1(O)CC2(CCN(C(=O)c3cccc(=O)[nH]3)CC2)OC[C@@H]1O ZINC001704343386 1179980056 /nfs/dbraw/zinc/98/00/56/1179980056.db2.gz BRTMOKPQEZEDLD-WFASDCNBSA-N 0 0 322.361 0.294 50 0 DCAARN CN(C[C@@H]1CC(=O)N(C)C1)c1cncc(C(=O)N2CCCC2)n1 ZINC001704344935 1179980608 /nfs/dbraw/zinc/98/06/08/1179980608.db2.gz QPQDOAXAFYGBPY-LBPRGKRZSA-N 0 0 317.393 0.627 50 0 DCAARN CC(C)CC1(NC(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)CC1 ZINC001704350017 1179981627 /nfs/dbraw/zinc/98/16/27/1179981627.db2.gz NKCUOMNLFJSJTH-JTQLQIEISA-N 0 0 306.366 0.296 50 0 DCAARN Cc1cc(=O)n(CCN2CCN(CC(C)C)C(=O)[C@H]2C)c(=O)[nH]1 ZINC001704352959 1179982471 /nfs/dbraw/zinc/98/24/71/1179982471.db2.gz HKYSBPORQSATNV-CYBMUJFWSA-N 0 0 322.409 0.446 50 0 DCAARN O=C([O-])c1n[nH]cc1C[N@H+]1C[C@H](O)[C@H](Cc2ccncc2)C1 ZINC001704352347 1179982832 /nfs/dbraw/zinc/98/28/32/1179982832.db2.gz DMWNIIXASZSGLB-YPMHNXCESA-N 0 0 302.334 0.538 50 0 DCAARN CC(C)C(NC(=O)c1cc2n(n1)C[C@@H](O)CNC2=O)C(C)C ZINC001704357368 1179984837 /nfs/dbraw/zinc/98/48/37/1179984837.db2.gz RFMDVMZAQKEYSI-JTQLQIEISA-N 0 0 308.382 0.398 50 0 DCAARN CN(C)C(=O)CN1CCCN(C(=O)c2cc(O)ccc2N)CC1 ZINC000324305560 1190446779 /nfs/dbraw/zinc/44/67/79/1190446779.db2.gz QHQKXVHMHRVXFQ-UHFFFAOYSA-N 0 0 320.393 0.211 50 0 DCAARN CN1C(=O)CN(C2CCN(C(=O)c3cncc(F)c3)CC2)C1=O ZINC000675008395 748024760 /nfs/dbraw/zinc/02/47/60/748024760.db2.gz VVQXUMLZTOUAER-UHFFFAOYSA-N 0 0 320.324 0.719 50 0 DCAARN CO[C@H]1C[C@H]2CN(C(=O)NCc3ccccc3)CC(=O)N2C1 ZINC000675016591 748026786 /nfs/dbraw/zinc/02/67/86/748026786.db2.gz FFLNOQIEPZUZLU-KBPBESRZSA-N 0 0 303.362 0.828 50 0 DCAARN Cc1nc(SCC(=O)NCCCc2csc(N)n2)n[nH]1 ZINC000222643576 756426445 /nfs/dbraw/zinc/42/64/45/756426445.db2.gz PHOKTYSOOJYWNM-UHFFFAOYSA-N 0 0 312.424 0.993 50 0 DCAARN CCNC(=O)[C@H]1CCN(S(=O)(=O)c2cccc(OC)c2)C1 ZINC000823123305 758226489 /nfs/dbraw/zinc/22/64/89/758226489.db2.gz AADKNVJHDFNZCP-NSHDSACASA-N 0 0 312.391 0.842 50 0 DCAARN COC[C@@H]1CCCN1S(=O)(=O)NCc1csc(N)n1 ZINC000824371011 758770195 /nfs/dbraw/zinc/77/01/95/758770195.db2.gz LRZMQDQNMQYFBM-VIFPVBQESA-N 0 0 306.413 0.171 50 0 DCAARN COC[C@H]1CCCN1S(=O)(=O)N1CCN(C)C(C)(C)C1 ZINC000824370971 758771090 /nfs/dbraw/zinc/77/10/90/758771090.db2.gz HOBDXTOTVZDIOJ-GFCCVEGCSA-N 0 0 305.444 0.368 50 0 DCAARN Cn1ncnc1CCNS(=O)(=O)c1ccc2[nH]cnc2c1 ZINC000825662733 758812921 /nfs/dbraw/zinc/81/29/21/758812921.db2.gz WFNIGKURCOMFQX-UHFFFAOYSA-N 0 0 306.351 0.212 50 0 DCAARN Cc1n[nH]c(C)c1Cc1nc(CC(N)=O)nn1-c1cccnc1 ZINC000826841884 758844796 /nfs/dbraw/zinc/84/47/96/758844796.db2.gz DKNFOTPSAXRNDI-UHFFFAOYSA-N 0 0 311.349 0.621 50 0 DCAARN CNc1ccc(C(=O)NCCN2CCc3ccccc3C2=O)cn1 ZINC000585082067 766267891 /nfs/dbraw/zinc/26/78/91/766267891.db2.gz XHORSUPRTLWHGZ-UHFFFAOYSA-N 0 0 324.384 1.552 50 0 DCAARN Nc1n[nH]c(CCNC(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000585086427 766272078 /nfs/dbraw/zinc/27/20/78/766272078.db2.gz ZYJQIBJBJLPNGI-UHFFFAOYSA-N 0 0 304.310 0.522 50 0 DCAARN COC(=O)C[C@H](NC(C)=O)C(=O)NC1(C(F)(F)F)CCC1 ZINC000585105594 766280830 /nfs/dbraw/zinc/28/08/30/766280830.db2.gz OXMGELSYIGFKCC-QMMMGPOBSA-N 0 0 310.272 0.655 50 0 DCAARN O=S(=O)(c1cc(F)cc(Cl)c1)N1CCOC[C@@H]1CO ZINC000585114802 766284075 /nfs/dbraw/zinc/28/40/75/766284075.db2.gz AIUMUIBWKBUVDE-JTQLQIEISA-N 0 0 309.746 0.861 50 0 DCAARN CC[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC000585121017 766287199 /nfs/dbraw/zinc/28/71/99/766287199.db2.gz CDXLFRISBMJCGC-GWCFXTLKSA-N 0 0 323.368 0.643 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)Nc2cnc3ccnn3c2)[C@H](C)C1 ZINC000585119917 766287548 /nfs/dbraw/zinc/28/75/48/766287548.db2.gz ZXVCDAHVJUWNBZ-NEPJUHHUSA-N 0 0 318.381 0.648 50 0 DCAARN Cn1cncc1C(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC000585127191 766289836 /nfs/dbraw/zinc/28/98/36/766289836.db2.gz SJMFEYOGUOMJEZ-UHFFFAOYSA-N 0 0 322.365 0.046 50 0 DCAARN C[C@@]1(C(=O)Nc2ccc3oc(C(N)=O)nc3c2)CCC(=O)NC1 ZINC000585128238 766290209 /nfs/dbraw/zinc/29/02/09/766290209.db2.gz WSRVBULOLVOPFA-OAHLLOKOSA-N 0 0 316.317 0.782 50 0 DCAARN COc1ncccc1NC(=O)N[C@@H]1COCCC1(OC)OC ZINC000952847929 768911238 /nfs/dbraw/zinc/91/12/38/768911238.db2.gz YAMLKOBLQPOOCH-LLVKDONJSA-N 0 0 311.338 0.990 50 0 DCAARN CC(C)Cc1cc(C(=O)NCCCn2ccnn2)nc(N)n1 ZINC000952860983 768921598 /nfs/dbraw/zinc/92/15/98/768921598.db2.gz VTUAREXVWHSYJT-UHFFFAOYSA-N 0 0 303.370 0.669 50 0 DCAARN CC(C)C1=NO[C@@H](C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)C1 ZINC000952871744 768933481 /nfs/dbraw/zinc/93/34/81/768933481.db2.gz DBEJSWHYBRVMMQ-CYBMUJFWSA-N 0 0 323.393 0.637 50 0 DCAARN CC1CC(S(=O)(=O)N2CCC[C@H](N3CCNC3=O)C2)C1 ZINC000952882206 768949317 /nfs/dbraw/zinc/94/93/17/768949317.db2.gz URIPADIGVPXMSL-CXQJBGSLSA-N 0 0 301.412 0.604 50 0 DCAARN C[C@H]1CC(C(=O)NCCc2nnc3n2CCNC3=O)C[C@H](C)C1 ZINC000952882152 768949378 /nfs/dbraw/zinc/94/93/78/768949378.db2.gz JAOXSWPHDNFYDD-GHMZBOCLSA-N 0 0 319.409 0.753 50 0 DCAARN Cn1nncc1C1(O)CN(c2cc(Cl)nc(C3CC3)n2)C1 ZINC000952883986 768951726 /nfs/dbraw/zinc/95/17/26/768951726.db2.gz VICXKWVNFLGRII-UHFFFAOYSA-N 0 0 306.757 0.844 50 0 DCAARN CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cccs2)C[C@H]1O ZINC001529093997 1014493987 /nfs/dbraw/zinc/49/39/87/1014493987.db2.gz FOUCSOMCSCOJCK-VHSXEESVSA-N 0 0 318.420 0.072 50 0 DCAARN CCC[C@]1(CO)CCN(C(=O)c2[nH]nc3c2COCC3)C[C@H]1O ZINC001529117856 1014498630 /nfs/dbraw/zinc/49/86/30/1014498630.db2.gz BBTYJUKPRPTMIQ-CZUORRHYSA-N 0 0 323.393 0.468 50 0 DCAARN COc1cc(OC)nc(N2C[C@@H](Cc3ccncc3)[C@H](O)C2)n1 ZINC001529155637 1014509962 /nfs/dbraw/zinc/50/99/62/1014509962.db2.gz XEXWYLXXTJJJQO-CHWSQXEVSA-N 0 0 316.361 0.929 50 0 DCAARN O=C([O-])CC[NH+]1CCN(CC(=O)NCC2CCCCC2)CC1 ZINC001529180540 1014513891 /nfs/dbraw/zinc/51/38/91/1014513891.db2.gz JWVNFISKNVSPNG-UHFFFAOYSA-N 0 0 311.426 0.775 50 0 DCAARN CN(C(=O)c1coc(CN)n1)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 ZINC001529191961 1014516986 /nfs/dbraw/zinc/51/69/86/1014516986.db2.gz KWTNOAYSUROIAE-OUAUKWLOSA-N 0 0 306.366 0.462 50 0 DCAARN CCCC[C@H]1C(=O)N(C)CCN1CCCS(=O)(=O)N(C)C ZINC001506399132 1017253983 /nfs/dbraw/zinc/25/39/83/1017253983.db2.gz ARCVSVZIZIRHHX-ZDUSSCGKSA-N 0 0 319.471 0.601 50 0 DCAARN Cc1cc(N)n(CC(=O)N(CCO)Cc2ccc(F)cc2)n1 ZINC001506402484 1017254582 /nfs/dbraw/zinc/25/45/82/1017254582.db2.gz SMEKHXCNPACLPT-UHFFFAOYSA-N 0 0 306.341 0.934 50 0 DCAARN CC(C)C[N@@H+]1CC[C@H](CN(C)C(=O)Cc2cc(=O)[nH][n-]c2=O)C1 ZINC001506399977 1017256213 /nfs/dbraw/zinc/25/62/13/1017256213.db2.gz GKFQYYASIWKCNM-GFCCVEGCSA-N 0 0 322.409 0.867 50 0 DCAARN CC[N@H+](CCn1cccn1)Cc1cnc(N(C)CC(=O)[O-])nc1 ZINC001506402812 1017256405 /nfs/dbraw/zinc/25/64/05/1017256405.db2.gz LZLOWJKWJWIOPJ-UHFFFAOYSA-N 0 0 318.381 0.716 50 0 DCAARN CCn1nc(CO)c2c1CCN(c1cc(C(N)=O)ccn1)C2 ZINC001506402246 1017256785 /nfs/dbraw/zinc/25/67/85/1017256785.db2.gz VNVUZUQJGODRQG-UHFFFAOYSA-N 0 0 301.350 0.452 50 0 DCAARN O=C([O-])C[NH+]1CCC(NC(=O)CCCN2CCCC2=O)CC1 ZINC001506418149 1017263719 /nfs/dbraw/zinc/26/37/19/1017263719.db2.gz VAXGMNJWNKUPMQ-UHFFFAOYSA-N 0 0 311.382 0.054 50 0 DCAARN CCn1ccnc1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000095501629 185374913 /nfs/dbraw/zinc/37/49/13/185374913.db2.gz WMMHDMDOSYJHQF-NSHDSACASA-N 0 0 319.365 0.207 50 0 DCAARN CCN(CCn1cccn1)C(=O)Cn1ncc(N(C)C)cc1=O ZINC000095520177 185377074 /nfs/dbraw/zinc/37/70/74/185377074.db2.gz ANIWOQLEMZCDLC-UHFFFAOYSA-N 0 0 318.381 0.055 50 0 DCAARN O=C(Cn1nnnc1CN1CCCC1)NCCc1cscn1 ZINC000095525647 185378202 /nfs/dbraw/zinc/37/82/02/185378202.db2.gz XINWXSVEBOYDGB-UHFFFAOYSA-N 0 0 321.410 0.084 50 0 DCAARN COc1c(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(C)nn1C ZINC000078895941 185124883 /nfs/dbraw/zinc/12/48/83/185124883.db2.gz TVQUWRQKKDQEEP-AAEUAGOBSA-N 0 0 322.409 0.530 50 0 DCAARN Cc1noc([C@@H](C)OC(=O)[C@@H]2CCCCN2S(C)(=O)=O)n1 ZINC000078985945 185140241 /nfs/dbraw/zinc/14/02/41/185140241.db2.gz JQTDKPIYZFHMPF-SCZZXKLOSA-N 0 0 317.367 0.796 50 0 DCAARN CCOC(=O)C1=C2C(=O)N(Cc3ccccc3)C(=O)C2NN1 ZINC000096930565 185392399 /nfs/dbraw/zinc/39/23/99/185392399.db2.gz PXMBNSUKLTVWHM-QWRGUYRKSA-N 0 0 301.302 0.063 50 0 DCAARN COc1ccc(/C=C\C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000096935853 185392643 /nfs/dbraw/zinc/39/26/43/185392643.db2.gz KJDZWGOYFBRWOE-YVMONPNESA-N 0 0 324.402 0.812 50 0 DCAARN CCNC(=O)NC(=O)CN1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000089977470 185273384 /nfs/dbraw/zinc/27/33/84/185273384.db2.gz ZMXXBDUHWVIVFQ-AAEUAGOBSA-N 0 0 323.397 0.011 50 0 DCAARN CC[C@@H]1CN(C(=O)NCc2ccc(-n3cncn3)nc2)CCO1 ZINC000089949255 185271121 /nfs/dbraw/zinc/27/11/21/185271121.db2.gz WXBFMYUFFZTAQS-CYBMUJFWSA-N 0 0 316.365 0.983 50 0 DCAARN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CNC(=O)N1 ZINC000089958873 185271634 /nfs/dbraw/zinc/27/16/34/185271634.db2.gz LKSLKQLFIFPFAS-NEPJUHHUSA-N 0 0 319.361 0.746 50 0 DCAARN COc1ccccc1N1CCN(C(=O)c2ncc[nH]2)CC1=O ZINC000082098051 192354794 /nfs/dbraw/zinc/35/47/94/192354794.db2.gz VBBUDXHJLGULSG-UHFFFAOYSA-N 0 0 300.318 0.907 50 0 DCAARN NS(=O)(=O)c1ccc(-c2nc(-c3cccnn3)no2)cc1 ZINC000082097984 192354860 /nfs/dbraw/zinc/35/48/60/192354860.db2.gz WNMIXMCJHVITKI-UHFFFAOYSA-N 0 0 303.303 0.841 50 0 DCAARN Cn1nc2c(c1C(=O)N1CC[C@@]3(CC(=O)NC3=O)C1)CCCC2 ZINC000082108889 192356586 /nfs/dbraw/zinc/35/65/86/192356586.db2.gz GXHFVCXQJSDDQI-MRXNPFEDSA-N 0 0 316.361 0.178 50 0 DCAARN CN(C)c1ccc([C@H](O)CNC(=O)c2cccn(C)c2=O)cc1 ZINC000090611665 185306738 /nfs/dbraw/zinc/30/67/38/185306738.db2.gz CLXUFNIZEKTVMV-OAHLLOKOSA-N 0 0 315.373 0.915 50 0 DCAARN CCCCn1nc(-c2ccccn2)nc1C[C@H]1NC(=O)NC1=O ZINC000095391458 185351538 /nfs/dbraw/zinc/35/15/38/185351538.db2.gz AEJWHAFICMZTDJ-LLVKDONJSA-N 0 0 314.349 0.891 50 0 DCAARN Cn1cc(N2CC[C@H](Nc3ccc4nccnc4n3)C2=O)cn1 ZINC000095398344 185353479 /nfs/dbraw/zinc/35/34/79/185353479.db2.gz UZSMMKRRWOEJHR-LBPRGKRZSA-N 0 0 309.333 0.976 50 0 DCAARN CCc1ncc(CNC(=O)c2ccc(S(=O)(=O)NC)nc2)o1 ZINC000408520691 529755165 /nfs/dbraw/zinc/75/51/65/529755165.db2.gz SVOSPGSNVZFTJU-UHFFFAOYSA-N 0 0 324.362 0.470 50 0 DCAARN CS(=O)(=O)NCCN1CCO[C@]2(CCc3ccccc32)C1 ZINC000095435454 185364703 /nfs/dbraw/zinc/36/47/03/185364703.db2.gz OZJAWJUCVJCOTJ-OAHLLOKOSA-N 0 0 310.419 0.710 50 0 DCAARN Cn1nc2n(c1=O)CCN(C(=O)c1ccc(-n3ccnc3)cc1)C2 ZINC000095446883 185367889 /nfs/dbraw/zinc/36/78/89/185367889.db2.gz KLFWVPBRPJLFLH-UHFFFAOYSA-N 0 0 324.344 0.424 50 0 DCAARN COC(=O)CC(C)(C)CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000095451406 185369089 /nfs/dbraw/zinc/36/90/89/185369089.db2.gz HDFMMXOGRUASFM-SNVBAGLBSA-N 0 0 305.396 0.611 50 0 DCAARN Cc1cc(I)cn(CC(=O)N(C)C)c1=O ZINC000095441089 185366268 /nfs/dbraw/zinc/36/62/68/185366268.db2.gz FGJBRLQTMHTLIZ-UHFFFAOYSA-N 0 0 320.130 0.850 50 0 DCAARN CCOC(=O)[C@H](CO)NC(=O)c1ccn(-c2ccccc2F)n1 ZINC000097032796 185399601 /nfs/dbraw/zinc/39/96/01/185399601.db2.gz SJFDDKQCTCUMHT-LBPRGKRZSA-N 0 0 321.308 0.665 50 0 DCAARN Cc1cc(CS(=O)(=O)NCc2c(C)c(C)n[nH]c2=O)no1 ZINC000095468361 185372293 /nfs/dbraw/zinc/37/22/93/185372293.db2.gz NJSGQNKBOMMOMH-UHFFFAOYSA-N 0 0 312.351 0.303 50 0 DCAARN Cc1nc(C)c(C(=O)Oc2cccc(C(=O)NCC(N)=O)c2)o1 ZINC000095468955 185372349 /nfs/dbraw/zinc/37/23/49/185372349.db2.gz MCAJBEXLQCYNHZ-UHFFFAOYSA-N 0 0 317.301 0.726 50 0 DCAARN COc1ccc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cn1 ZINC000102802907 185422051 /nfs/dbraw/zinc/42/20/51/185422051.db2.gz NLUOLJVPHSUTKJ-TXEJJXNPSA-N 0 0 315.329 0.980 50 0 DCAARN C[C@H]1CN(C(=O)NCCn2ccnc2)C[C@]2(CCCOC2)O1 ZINC000366853279 290708749 /nfs/dbraw/zinc/70/87/49/290708749.db2.gz BWKGKZLZQQMWHL-ZFWWWQNUSA-N 0 0 308.382 0.863 50 0 DCAARN CN1CC(=O)N(CC(=O)NCc2c(F)cccc2Cl)C1=O ZINC000298333594 530046779 /nfs/dbraw/zinc/04/67/79/530046779.db2.gz APRJRDAZFUHTGB-UHFFFAOYSA-N 0 0 313.716 0.989 50 0 DCAARN CNC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1F ZINC000226686620 201785090 /nfs/dbraw/zinc/78/50/90/201785090.db2.gz VYLPKEWTINETDF-UHFFFAOYSA-N 0 0 302.327 0.391 50 0 DCAARN C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)NCC(=O)N(C)C ZINC000227158745 201794971 /nfs/dbraw/zinc/79/49/71/201794971.db2.gz ANZWZAZWPMOVNO-GFCCVEGCSA-N 0 0 316.361 0.844 50 0 DCAARN CN(CCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)S(C)(=O)=O ZINC000071422336 282398720 /nfs/dbraw/zinc/39/87/20/282398720.db2.gz FYGYZZKPEYDTFS-JSGCOSHPSA-N 0 0 318.439 0.422 50 0 DCAARN CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)C(=O)OC)c1 ZINC000181935512 199364689 /nfs/dbraw/zinc/36/46/89/199364689.db2.gz XDGJPDBQEGYWDU-VHSXEESVSA-N 0 0 300.380 0.807 50 0 DCAARN CC(C)N1CCN(C(=O)c2ccc(-n3ccnn3)cc2)CC1=O ZINC000272534512 209946431 /nfs/dbraw/zinc/94/64/31/209946431.db2.gz LIZZGPRDLCCJDT-UHFFFAOYSA-N 0 0 313.361 0.960 50 0 DCAARN COc1ccc2nnc(CCCC(=O)Nc3nncs3)n2n1 ZINC000071288767 190953443 /nfs/dbraw/zinc/95/34/43/190953443.db2.gz ZAZZZOLFZFVQJS-UHFFFAOYSA-N 0 0 319.350 0.946 50 0 DCAARN O=S(=O)(NCc1nnc2n1CCC2)NCc1ccccc1 ZINC000071715072 191011641 /nfs/dbraw/zinc/01/16/41/191011641.db2.gz UZXMUXVFCALIGD-UHFFFAOYSA-N 0 0 307.379 0.349 50 0 DCAARN Cn1nc(C(=O)NCCNC(=O)C(F)(F)F)c2c1CCCC2 ZINC000071749585 191022094 /nfs/dbraw/zinc/02/20/94/191022094.db2.gz GJNWXGRDJJQNOM-UHFFFAOYSA-N 0 0 318.299 0.707 50 0 DCAARN CC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000071853816 191032204 /nfs/dbraw/zinc/03/22/04/191032204.db2.gz UCWQJWMFSAAPHD-OAHLLOKOSA-N 0 0 316.405 0.989 50 0 DCAARN CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 ZINC000072122400 191040075 /nfs/dbraw/zinc/04/00/75/191040075.db2.gz PPFWTNHAIRFDNM-CYBMUJFWSA-N 0 0 311.332 0.744 50 0 DCAARN CNC(=O)C[C@H]1C(=O)NCCN1Cc1cc(OC)cc(OC)c1 ZINC000072128104 191042732 /nfs/dbraw/zinc/04/27/32/191042732.db2.gz VIBARSQKXFAKRL-AWEZNQCLSA-N 0 0 321.377 0.140 50 0 DCAARN Cc1c[nH]c(C(=O)NC[C@@H]2CCN(c3cnn(C)c(=O)c3)C2)n1 ZINC000072143593 191048849 /nfs/dbraw/zinc/04/88/49/191048849.db2.gz ABGUZAPXZSCACU-NSHDSACASA-N 0 0 316.365 0.068 50 0 DCAARN COc1ccccc1CC(=O)N1CCNC[C@H]1C(=O)NC1CC1 ZINC000072146787 191052431 /nfs/dbraw/zinc/05/24/31/191052431.db2.gz DUECCRNXJPCLOK-AWEZNQCLSA-N 0 0 317.389 0.317 50 0 DCAARN COc1nc(C)cc(C)c1CNC(=O)C[C@H]1C(=O)NCCN1C ZINC000072148707 191054618 /nfs/dbraw/zinc/05/46/18/191054618.db2.gz XOIWFHGWRSWZPW-ZDUSSCGKSA-N 0 0 320.393 0.144 50 0 DCAARN COc1cc(CC(=O)N2CC[C@H](CO)[C@H](O)C2)cc(OC)c1 ZINC000072152381 191057305 /nfs/dbraw/zinc/05/73/05/191057305.db2.gz IBGMFFNRKHGWIT-IUODEOHRSA-N 0 0 309.362 0.448 50 0 DCAARN O=C1CC2(CN1)CCN(S(=O)(=O)NCc1ccccc1)CC2 ZINC000072164108 191063148 /nfs/dbraw/zinc/06/31/48/191063148.db2.gz YLGIEDCMGCBBQJ-UHFFFAOYSA-N 0 0 323.418 0.623 50 0 DCAARN CCn1nc(C(=O)N2CCC[C@@H](n3cncn3)C2)ccc1=O ZINC000072277484 191097870 /nfs/dbraw/zinc/09/78/70/191097870.db2.gz OENNPXKMWHLCBO-LLVKDONJSA-N 0 0 302.338 0.332 50 0 DCAARN O=C(Cn1cccn1)N[C@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000072280480 191101302 /nfs/dbraw/zinc/10/13/02/191101302.db2.gz HUWJJZDUCXVYRZ-OAHLLOKOSA-N 0 0 312.373 0.889 50 0 DCAARN COCCN(CCC(=O)OC)C(=O)COc1cc(C)on1 ZINC000072282015 191103128 /nfs/dbraw/zinc/10/31/28/191103128.db2.gz PVRLAWQJSWBELS-UHFFFAOYSA-N 0 0 300.311 0.400 50 0 DCAARN CN(CC(=O)N1CCC[C@@H](c2cc[nH]n2)C1)S(C)(=O)=O ZINC000072283061 191104141 /nfs/dbraw/zinc/10/41/41/191104141.db2.gz IMWRJAOAQSFNKO-SNVBAGLBSA-N 0 0 300.384 0.007 50 0 DCAARN CNS(=O)(=O)c1cccc(CNc2nccn3cnnc23)c1 ZINC000072289815 191108564 /nfs/dbraw/zinc/10/85/64/191108564.db2.gz MVZLPQOYWWSYBN-UHFFFAOYSA-N 0 0 318.362 0.645 50 0 DCAARN O=S1(=O)CCN(C2CCN(c3ncccc3F)CC2)CC1 ZINC000225602829 186281989 /nfs/dbraw/zinc/28/19/89/186281989.db2.gz VUULVCIYAGVOTB-UHFFFAOYSA-N 0 0 313.398 0.920 50 0 DCAARN CC(C)OC(=O)[C@@H](C)CNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC000253404766 186307635 /nfs/dbraw/zinc/30/76/35/186307635.db2.gz RCYRPXABTPLPID-VHSXEESVSA-N 0 0 301.387 0.773 50 0 DCAARN CC[C@H](CO)NC(=O)C(=O)Nc1sccc1C(=O)OC ZINC000072305050 191117856 /nfs/dbraw/zinc/11/78/56/191117856.db2.gz VQTKOVWLBNJRMZ-SSDOTTSWSA-N 0 0 300.336 0.360 50 0 DCAARN CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)CC1 ZINC000072411749 191154060 /nfs/dbraw/zinc/15/40/60/191154060.db2.gz PACCTTZXPYRQIP-CYBMUJFWSA-N 0 0 317.455 0.212 50 0 DCAARN COCCNC(=O)CCc1nnc2ccc(OC(C)C)nn21 ZINC000072403021 191151235 /nfs/dbraw/zinc/15/12/35/191151235.db2.gz XFBWNBNUTFDFNS-UHFFFAOYSA-N 0 0 307.354 0.607 50 0 DCAARN O=C(Cc1cccnc1)NCc1cc(N2CCOCC2)ncn1 ZINC000072425856 191160187 /nfs/dbraw/zinc/16/01/87/191160187.db2.gz BGVFAZGDDVAKRX-UHFFFAOYSA-N 0 0 313.361 0.567 50 0 DCAARN CN(C)c1ccc(N2CCN(C(=O)c3ncccn3)CC2)nn1 ZINC000072437644 191165830 /nfs/dbraw/zinc/16/58/30/191165830.db2.gz MJPJNAMMPZYGMM-UHFFFAOYSA-N 0 0 313.365 0.295 50 0 DCAARN Cc1cn(CC(=O)N2CCC[C@H]2c2ccccn2)c(=O)[nH]c1=O ZINC000072472923 191175839 /nfs/dbraw/zinc/17/58/39/191175839.db2.gz BVBCMAWPZVEQGS-ZDUSSCGKSA-N 0 0 314.345 0.604 50 0 DCAARN CN(Cc1[nH]nc2c1CCC2)C(=O)[C@@H]1NCCc2nc[nH]c21 ZINC000072473943 191177093 /nfs/dbraw/zinc/17/70/93/191177093.db2.gz MKJQHLCEKVOLKL-CQSZACIVSA-N 0 0 300.366 0.467 50 0 DCAARN CC(C)(NCC(=O)N[C@@H]1CCCCNC1=O)c1nccs1 ZINC000072662830 191209574 /nfs/dbraw/zinc/20/95/74/191209574.db2.gz KFCNXXXQLNGWLD-SNVBAGLBSA-N 0 0 310.423 0.753 50 0 DCAARN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000286898 180748103 /nfs/dbraw/zinc/74/81/03/180748103.db2.gz XFVSMDADKPFRNT-UHFFFAOYSA-N 0 0 304.393 0.509 50 0 DCAARN C[C@H](C(=O)NC(N)=O)N(C)Cc1nccn1Cc1ccccc1 ZINC000072774326 191226623 /nfs/dbraw/zinc/22/66/23/191226623.db2.gz VMVURHKXEACDHR-GFCCVEGCSA-N 0 0 315.377 0.947 50 0 DCAARN CC(=O)Nc1ccc(S(=O)(=O)NN2CCSCC2)cc1 ZINC000000405454 180777982 /nfs/dbraw/zinc/77/79/82/180777982.db2.gz CDRPURQCTUFFNB-UHFFFAOYSA-N 0 0 315.420 0.887 50 0 DCAARN CCn1ncc(Br)c1C(=O)NN1CCOCC1 ZINC000002778310 180955592 /nfs/dbraw/zinc/95/55/92/180955592.db2.gz RLDIPLMCERXWOX-UHFFFAOYSA-N 0 0 303.160 0.643 50 0 DCAARN COC[C@H](C)NC(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000002917016 180970287 /nfs/dbraw/zinc/97/02/87/180970287.db2.gz NPQMWTRBPXAKRZ-JTQLQIEISA-N 0 0 314.345 0.951 50 0 DCAARN O=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)NCCC1=CCCCC1 ZINC000003339656 181008502 /nfs/dbraw/zinc/00/85/02/181008502.db2.gz JCMYLGMPDFDHGE-UHFFFAOYSA-N 0 0 321.333 0.227 50 0 DCAARN O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)NCc1ccccc1 ZINC000003343894 181009437 /nfs/dbraw/zinc/00/94/37/181009437.db2.gz HWFUJODZTCLNCE-HNNXBMFYSA-N 0 0 319.386 0.730 50 0 DCAARN NC(=O)NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000003351358 181010654 /nfs/dbraw/zinc/01/06/54/181010654.db2.gz UJZTXJDHBSEQDX-UHFFFAOYSA-N 0 0 322.302 0.752 50 0 DCAARN Cn1nc(C(=O)OCC(=O)NC2CC2)c2ccccc2c1=O ZINC000003361684 181011738 /nfs/dbraw/zinc/01/17/38/181011738.db2.gz GYEGTVLHKYHCMY-UHFFFAOYSA-N 0 0 301.302 0.369 50 0 DCAARN CNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O ZINC000003461278 181023630 /nfs/dbraw/zinc/02/36/30/181023630.db2.gz ZBHAGZPAYOHGBC-HNNXBMFYSA-N 0 0 318.333 0.218 50 0 DCAARN O[C@H]1[C@@H](O)[C@H](Oc2ccc(Br)cc2)OC[C@@H]1O ZINC000004028608 181064695 /nfs/dbraw/zinc/06/46/95/181064695.db2.gz RYMCGIWYPIFYRA-ZDCRXTMVSA-N 0 0 305.124 0.267 50 0 biogenic DCAARN O=C([O-])[C@@H](CC(=O)Nc1cccc(O)c1)[NH2+]C[C@@H]1CCCO1 ZINC000004186583 181083441 /nfs/dbraw/zinc/08/34/41/181083441.db2.gz WBCNTXYDQOVPSX-QWHCGFSZSA-N 0 0 308.334 0.943 50 0 DCAARN CN(C(=O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000004263258 181089625 /nfs/dbraw/zinc/08/96/25/181089625.db2.gz XRESKEMZUJLBAW-LLVKDONJSA-N 0 0 301.339 0.850 50 0 DCAARN COC(=O)[C@@](O)(NC(=O)COc1ccccc1)C(F)(F)F ZINC000004336755 181099301 /nfs/dbraw/zinc/09/93/01/181099301.db2.gz UAJHKYUUESQFND-NSHDSACASA-N 0 0 307.224 0.606 50 0 DCAARN Cc1nnc(SCC(=O)N2CCc3ccccc32)n(N)c1=O ZINC000004337893 181100126 /nfs/dbraw/zinc/10/01/26/181100126.db2.gz BDNMEWVGYGLPHD-UHFFFAOYSA-N 0 0 317.374 0.342 50 0 DCAARN CCOC(=O)C1=C(COC(=O)c2cccn2C)NC(=O)N[C@H]1C ZINC000004414941 181107914 /nfs/dbraw/zinc/10/79/14/181107914.db2.gz XNXYYKUAGROHQV-VIFPVBQESA-N 0 0 321.333 0.700 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C(=O)OC)cc1 ZINC000004463229 181110470 /nfs/dbraw/zinc/11/04/70/181110470.db2.gz GYCCGHUUTAWRQH-QMMMGPOBSA-N 0 0 308.290 0.474 50 0 DCAARN COc1ccc(N2C[C@@H](NC(=O)NCCO)CC2=O)cc1OC ZINC000004479773 181113122 /nfs/dbraw/zinc/11/31/22/181113122.db2.gz QLTZFCLXVGNYJV-JTQLQIEISA-N 0 0 323.349 0.101 50 0 DCAARN COc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000004504490 181117122 /nfs/dbraw/zinc/11/71/22/181117122.db2.gz CRGZLARAMBNPKA-NSHDSACASA-N 0 0 313.375 0.963 50 0 DCAARN NC(=O)c1ccccc1NC(=O)CSc1nnc(N)s1 ZINC000004517018 181119016 /nfs/dbraw/zinc/11/90/16/181119016.db2.gz VURUIRASCIIWEP-UHFFFAOYSA-N 0 0 309.376 0.950 50 0 DCAARN COc1ccc([C@@H]2NC(=S)NC(C)=C2C(N)=O)cc1OC ZINC000004574731 181126359 /nfs/dbraw/zinc/12/63/59/181126359.db2.gz LEHNTSXUUSWBBV-LBPRGKRZSA-N 0 0 307.375 0.982 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)C ZINC000004869357 181166312 /nfs/dbraw/zinc/16/63/12/181166312.db2.gz BOWYAUQYFOLLDW-UHFFFAOYSA-N 0 0 312.391 0.718 50 0 DCAARN COC(CNC(=O)CCc1c(C)nc2ncnn2c1C)OC ZINC000004935952 181175181 /nfs/dbraw/zinc/17/51/81/181175181.db2.gz KQOUULDVFNCEOF-UHFFFAOYSA-N 0 0 307.354 0.409 50 0 DCAARN C[C@@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1c[nH]cn1 ZINC000004955568 181178808 /nfs/dbraw/zinc/17/88/08/181178808.db2.gz CWQVKLRPBDHTOV-GHMZBOCLSA-N 0 0 314.411 0.725 50 0 DCAARN CCNC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000004983050 181184155 /nfs/dbraw/zinc/18/41/55/181184155.db2.gz LPBZSXWZTRHCKP-UHFFFAOYSA-N 0 0 316.379 0.606 50 0 DCAARN COc1ccc(N2C[C@H](C(=O)N(C)C[C@@H](C)O)CC2=O)cc1 ZINC000075092834 191416471 /nfs/dbraw/zinc/41/64/71/191416471.db2.gz ZMQOVXQGXUDQAG-VXGBXAGGSA-N 0 0 306.362 0.887 50 0 DCAARN COc1nn(C)cc1C(=O)NC[C@]1(O)CCOc2ccccc21 ZINC000075158091 191435291 /nfs/dbraw/zinc/43/52/91/191435291.db2.gz GDZPBOAMJFVGMW-MRXNPFEDSA-N 0 0 317.345 0.829 50 0 DCAARN O=C(COc1ncccn1)Nc1cnc(N2CCCC2)nc1 ZINC000075161798 191436272 /nfs/dbraw/zinc/43/62/72/191436272.db2.gz CHPOBZNIOCQPBN-UHFFFAOYSA-N 0 0 300.322 0.884 50 0 DCAARN O=C(Cn1cc(I)cn1)N1CCOCC1 ZINC000079903848 191982960 /nfs/dbraw/zinc/98/29/60/191982960.db2.gz RTMQNMSNHSUVNC-UHFFFAOYSA-N 0 0 321.118 0.347 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000005558013 181256802 /nfs/dbraw/zinc/25/68/02/181256802.db2.gz GHSONTCCFDLBNS-LBPRGKRZSA-N 0 0 312.391 0.846 50 0 DCAARN CN1CN=C2SC3(COC(c4ccncc4)OC3)C(=O)N2C1 ZINC000019706367 283185013 /nfs/dbraw/zinc/18/50/13/283185013.db2.gz MJRLHOATZILUON-UHFFFAOYSA-N 0 0 320.374 0.658 50 0 DCAARN CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1COCCN1 ZINC000237165729 202173710 /nfs/dbraw/zinc/17/37/10/202173710.db2.gz DLYZPNWXGMGDFI-OAHLLOKOSA-N 0 0 319.405 0.470 50 0 DCAARN CN1Cc2ccccc2C[C@@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC000095386545 283253790 /nfs/dbraw/zinc/25/37/90/283253790.db2.gz VCXDTGQIGLCKSF-CQSZACIVSA-N 0 0 308.403 0.300 50 0 DCAARN CCS(=O)(=O)NCCNC(=O)c1cc(C)c(OC)c(C)c1 ZINC000179737553 199074180 /nfs/dbraw/zinc/07/41/80/199074180.db2.gz FODCRIKERCNHSX-UHFFFAOYSA-N 0 0 314.407 0.981 50 0 DCAARN CCCN1CCCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)CC1=O ZINC000253407988 283328389 /nfs/dbraw/zinc/32/83/89/283328389.db2.gz RAWLQMPLEZNFSJ-LBPRGKRZSA-N 0 0 312.414 0.540 50 0 DCAARN NC(=O)[C@]1(O)CCN(c2ncnc3sc4c(c32)CCCC4)C1 ZINC000170088735 283362655 /nfs/dbraw/zinc/36/26/55/283362655.db2.gz JXGJRLUAYYEZOD-HNNXBMFYSA-N 0 0 318.402 0.997 50 0 DCAARN O=C1CN([C@H]2CCS(=O)(=O)C2)C(=S)N1c1ccccc1 ZINC000005938255 181298321 /nfs/dbraw/zinc/29/83/21/181298321.db2.gz RQJRLDIUQXFOLK-NSHDSACASA-N 0 0 310.400 0.807 50 0 DCAARN CCNC(=O)NC(=O)COC(=O)c1ccc2c(c1)OCCO2 ZINC000005988947 181303603 /nfs/dbraw/zinc/30/36/03/181303603.db2.gz DIVLAIQLRCIODL-UHFFFAOYSA-N 0 0 308.290 0.460 50 0 DCAARN CC(C)NC(=O)NC(=O)COC(=O)[C@H]1COc2ccccc2O1 ZINC000006054993 181308794 /nfs/dbraw/zinc/30/87/94/181308794.db2.gz PBUSUTFACLBIFU-GFCCVEGCSA-N 0 0 322.317 0.604 50 0 DCAARN C[C@H]1CCCCN1C(=O)c1ccc(CNS(N)(=O)=O)cc1 ZINC000089929735 192908250 /nfs/dbraw/zinc/90/82/50/192908250.db2.gz KJPDXEAVUUVIPX-NSHDSACASA-N 0 0 311.407 0.994 50 0 DCAARN C[C@H]1CN(CCNC(=O)NCCCn2cncn2)C[C@H](C)O1 ZINC000089936667 192910590 /nfs/dbraw/zinc/91/05/90/192910590.db2.gz PDEDCYSBPDVJAA-STQMWFEESA-N 0 0 310.402 0.077 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C)on2)C1 ZINC000006743132 181381304 /nfs/dbraw/zinc/38/13/04/181381304.db2.gz DQEOKBFMWSUHDP-SNVBAGLBSA-N 0 0 301.368 0.983 50 0 DCAARN Cc1nc(CCNC(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)sc1C ZINC000091452684 193058802 /nfs/dbraw/zinc/05/88/02/193058802.db2.gz RRQVAHPJULPCPP-SNVBAGLBSA-N 0 0 324.406 0.701 50 0 DCAARN CCCN1CCC[C@@]2(CCN(C(=O)CN3CCOC3=O)C2)C1=O ZINC000091326520 193040332 /nfs/dbraw/zinc/04/03/32/193040332.db2.gz NJYFPSILEWDIJQ-INIZCTEOSA-N 0 0 323.393 0.690 50 0 DCAARN O=C(CN1C(=O)CNC1=O)NCCCn1ccc2ccccc21 ZINC000091550768 193072791 /nfs/dbraw/zinc/07/27/91/193072791.db2.gz PVKPXAYPKLYGAK-UHFFFAOYSA-N 0 0 314.345 0.699 50 0 DCAARN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCCn1cnnn1)CC2 ZINC000091595712 193077495 /nfs/dbraw/zinc/07/74/95/193077495.db2.gz GTTZXFUCQAEGSW-OLZOCXBDSA-N 0 0 323.397 0.232 50 0 DCAARN CC(C)[C@H]1CN(Cc2cn[nH]n2)C[C@@H]1NC(=O)C1CCOCC1 ZINC000091505269 193065738 /nfs/dbraw/zinc/06/57/38/193065738.db2.gz ZUPPUXFWQMHEME-CABCVRRESA-N 0 0 321.425 0.804 50 0 DCAARN O=C(NC(CO)CO)c1coc(COc2cccc(F)c2)n1 ZINC000091643864 193083503 /nfs/dbraw/zinc/08/35/03/193083503.db2.gz VIFCHCBJZBTWRK-UHFFFAOYSA-N 0 0 310.281 0.476 50 0 DCAARN CN1CCC[C@]2(CCN(C(=O)CN3CCCCCC3=O)C2)C1=O ZINC000091725741 193098187 /nfs/dbraw/zinc/09/81/87/193098187.db2.gz BYWYGKNJALKMIU-QGZVFWFLSA-N 0 0 321.421 0.860 50 0 DCAARN Cc1nn(C)cc1C(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2OCCO ZINC000091756995 193102916 /nfs/dbraw/zinc/10/29/16/193102916.db2.gz IWCPYPAMIVODAI-KGLIPLIRSA-N 0 0 323.393 0.093 50 0 DCAARN CC(C)CCn1cccc1CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000091867095 193120665 /nfs/dbraw/zinc/12/06/65/193120665.db2.gz WMZSZVRFLNDBFM-OAHLLOKOSA-N 0 0 318.421 0.677 50 0 DCAARN O=C(CN1C(=O)CNC1=O)NCc1cccc(N2CCCC2)c1 ZINC000091908455 193125036 /nfs/dbraw/zinc/12/50/36/193125036.db2.gz LKTGWTPOIMULET-UHFFFAOYSA-N 0 0 316.361 0.455 50 0 DCAARN Cc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)no1 ZINC000091915155 193125664 /nfs/dbraw/zinc/12/56/64/193125664.db2.gz SULRLVDUNJPZHP-LLVKDONJSA-N 0 0 306.322 0.588 50 0 DCAARN Cn1cccc1-c1cc(C(=O)NCCN2CCNC2=O)[nH]n1 ZINC000091943616 193129561 /nfs/dbraw/zinc/12/95/61/193129561.db2.gz WFLRKNWCADUTMW-UHFFFAOYSA-N 0 0 302.338 0.170 50 0 DCAARN CC[C@H](C(=O)NCCS(=O)(=O)N1CCCC1)n1cccn1 ZINC000091997749 193138083 /nfs/dbraw/zinc/13/80/83/193138083.db2.gz LOACSGAMBWMKBE-GFCCVEGCSA-N 0 0 314.411 0.376 50 0 DCAARN COc1cc2c(cc1CNC(=O)CN1C(=O)CNC1=O)CCC2 ZINC000092019650 193143593 /nfs/dbraw/zinc/14/35/93/193143593.db2.gz NSALIHZBTZMMFQ-UHFFFAOYSA-N 0 0 317.345 0.352 50 0 DCAARN C[C@]1(C(=O)N[C@H]2CCS(=O)(=O)C2)Oc2ccccc2NC1=O ZINC000036358864 291369797 /nfs/dbraw/zinc/36/97/97/291369797.db2.gz IJNKAUBCJRJPMD-LKFCYVNXSA-N 0 0 324.358 0.729 50 0 DCAARN O=C([C@H]1CCCCC(=O)N1)N1CCN(c2ccccn2)CC1 ZINC000193675695 296101993 /nfs/dbraw/zinc/10/19/93/296101993.db2.gz KPQDVRCSKNKOQW-CYBMUJFWSA-N 0 0 302.378 0.789 50 0 DCAARN O=C([C@H]1CCCO1)N1CCN(c2ccc3c[nH]nc3c2)C(=O)C1 ZINC000082120820 296111952 /nfs/dbraw/zinc/11/19/52/296111952.db2.gz INPLBKQATZFFST-CQSZACIVSA-N 0 0 314.345 0.917 50 0 DCAARN Cc1nn(C)cc1[C@H](C)NC(=O)Cn1nc(C)c(C)cc1=O ZINC000221353914 201586934 /nfs/dbraw/zinc/58/69/34/201586934.db2.gz YQVRDEPILCXEMD-NSHDSACASA-N 0 0 303.366 0.779 50 0 DCAARN COCCNC(=O)N[C@@H]1COCC[C@@H]1OCc1cscn1 ZINC000223285759 201640136 /nfs/dbraw/zinc/64/01/36/201640136.db2.gz FTNHLJDPWKZBMJ-NEPJUHHUSA-N 0 0 315.395 0.763 50 0 DCAARN COC1(CNC(=O)CN2C(=O)CCC2=O)CCSCC1 ZINC000252538087 202865401 /nfs/dbraw/zinc/86/54/01/202865401.db2.gz MQIQCAGUJHWWLO-UHFFFAOYSA-N 0 0 300.380 0.164 50 0 DCAARN CCc1ncnc(O[C@@H]2CCN(C(=O)c3cn(C)nn3)C2)c1F ZINC000253472403 202892405 /nfs/dbraw/zinc/89/24/05/202892405.db2.gz MAXBXRFAYYIFQR-SECBINFHSA-N 0 0 320.328 0.600 50 0 DCAARN COc1ccccc1CCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000007320870 181454431 /nfs/dbraw/zinc/45/44/31/181454431.db2.gz OSTYFFQWZFBWDW-UHFFFAOYSA-N 0 0 319.361 0.684 50 0 DCAARN CCN(CC)C(=O)COC(=O)c1ccc(OCC(N)=O)cc1 ZINC000007581084 181476417 /nfs/dbraw/zinc/47/64/17/181476417.db2.gz GPAZWQBGTARBTK-UHFFFAOYSA-N 0 0 308.334 0.576 50 0 DCAARN CCNC(=O)[C@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 ZINC000096101434 193537302 /nfs/dbraw/zinc/53/73/02/193537302.db2.gz GCPYBLQBMYSLKT-QMMMGPOBSA-N 0 0 304.272 0.934 50 0 DCAARN O=C(c1c(O)cccc1O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299800450 296163979 /nfs/dbraw/zinc/16/39/79/296163979.db2.gz SMHRGZRFMJUKOP-GWCFXTLKSA-N 0 0 316.317 0.675 50 0 DCAARN Cc1cc(CN(C)c2nc3c(c(=O)[nH]c(=O)n3C)n2C)no1 ZINC000264808033 204170229 /nfs/dbraw/zinc/17/02/29/204170229.db2.gz DDIGZZKAYRLTHK-UHFFFAOYSA-N 0 0 304.310 0.305 50 0 DCAARN COc1ccc(S(N)(=O)=O)cc1C(=O)NCC(F)(F)F ZINC000008344999 181550874 /nfs/dbraw/zinc/55/08/74/181550874.db2.gz RFHNXENSFJBSDU-UHFFFAOYSA-N 0 0 312.269 0.635 50 0 DCAARN CCc1nc(CN2CCN(C(=O)CCn3ccnc3)CC2)no1 ZINC000264820578 204181479 /nfs/dbraw/zinc/18/14/79/204181479.db2.gz XPCRYWXRCPLIEK-UHFFFAOYSA-N 0 0 318.381 0.563 50 0 DCAARN Cn1c(Oc2ccccc2F)nc2c1n(C)c(=O)n(C)c2=O ZINC000008716897 181577515 /nfs/dbraw/zinc/57/75/15/181577515.db2.gz IJXGVDFHNBBJBV-UHFFFAOYSA-N 0 0 304.281 0.902 50 0 DCAARN COCCNC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1C ZINC000012759911 181794795 /nfs/dbraw/zinc/79/47/95/181794795.db2.gz BODYHNXIZQYTTJ-UHFFFAOYSA-N 0 0 314.407 0.687 50 0 DCAARN CCONC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000012975239 181817037 /nfs/dbraw/zinc/81/70/37/181817037.db2.gz PDVUZHSZXQILLP-UHFFFAOYSA-N 0 0 323.168 0.778 50 0 DCAARN CC(C)n1nc(C(=O)NN2CCOCC2)c2ccccc2c1=O ZINC000014198339 181935719 /nfs/dbraw/zinc/93/57/19/181935719.db2.gz IMHDHTQZCOPRDW-UHFFFAOYSA-N 0 0 316.361 0.954 50 0 DCAARN COC(=O)CCC(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000015062649 181985683 /nfs/dbraw/zinc/98/56/83/181985683.db2.gz OKHZCOKHASGIGA-AWEZNQCLSA-N 0 0 318.373 0.899 50 0 DCAARN COCCNC(=O)CCc1nnc2ccc(N3CCCC3)nn21 ZINC000015678711 182012278 /nfs/dbraw/zinc/01/22/78/182012278.db2.gz WGGCACHTTFUMMA-UHFFFAOYSA-N 0 0 318.381 0.420 50 0 DCAARN O=C(Cn1nnc2ccccc2c1=O)OCC(=O)c1ccc[nH]1 ZINC000016258734 182038905 /nfs/dbraw/zinc/03/89/05/182038905.db2.gz FDMADPFJCJTLOZ-UHFFFAOYSA-N 0 0 312.285 0.546 50 0 DCAARN COCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)cs1 ZINC000016626788 182054305 /nfs/dbraw/zinc/05/43/05/182054305.db2.gz ULSIIRRQYUBRID-UHFFFAOYSA-N 0 0 318.420 0.909 50 0 DCAARN CCn1nc(Oc2nc(NC3CC3)nc(N(C)C)n2)ccc1=O ZINC000016648096 182055508 /nfs/dbraw/zinc/05/55/08/182055508.db2.gz IZXPKDHRXYIWPQ-UHFFFAOYSA-N 0 0 317.353 0.881 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)n[nH]1 ZINC000017637928 182085403 /nfs/dbraw/zinc/08/54/03/182085403.db2.gz RJVMLSLDEAFJDF-LLVKDONJSA-N 0 0 305.359 0.994 50 0 DCAARN CCn1nnnc1NC(=O)NCc1cccc(-n2cncn2)c1 ZINC000019338026 182116574 /nfs/dbraw/zinc/11/65/74/182116574.db2.gz KQEURGMAODRCLA-UHFFFAOYSA-N 0 0 313.325 0.595 50 0 DCAARN COc1ccccc1N1C(=O)C[C@@H](N2CCN(C)CC2)C1=O ZINC000019595333 182132862 /nfs/dbraw/zinc/13/28/62/182132862.db2.gz WRDYAFGDIMMUEE-CYBMUJFWSA-N 0 0 303.362 0.575 50 0 DCAARN Cc1nonc1CC(=O)N1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000020109891 182187457 /nfs/dbraw/zinc/18/74/57/182187457.db2.gz QVNJKXGMRBWUMG-CQSZACIVSA-N 0 0 314.345 0.490 50 0 DCAARN C[C@H](C(=O)[O-])[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000020180724 182194565 /nfs/dbraw/zinc/19/45/65/182194565.db2.gz AZLXDAABDDZPBH-SNVBAGLBSA-N 0 0 306.318 0.646 50 0 DCAARN Cc1c[nH]c(CN2CCN(C(=O)c3ccc[nH]3)C[C@H](O)C2)n1 ZINC000097681792 193747477 /nfs/dbraw/zinc/74/74/77/193747477.db2.gz PGNGRTGGRCIERS-GFCCVEGCSA-N 0 0 303.366 0.365 50 0 DCAARN Cn1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)c2ccccc21 ZINC000020732866 182244821 /nfs/dbraw/zinc/24/48/21/182244821.db2.gz AZNIHLYXUUURDI-UHFFFAOYSA-N 0 0 321.402 0.896 50 0 DCAARN O=C(NCCN1CCOCC1)c1cnn(-c2ccccc2)c1 ZINC000020902908 182252902 /nfs/dbraw/zinc/25/29/02/182252902.db2.gz PIMHBHJVFFWNOD-UHFFFAOYSA-N 0 0 300.362 0.934 50 0 DCAARN CN1CCN(CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000020745571 182246085 /nfs/dbraw/zinc/24/60/85/182246085.db2.gz SQIHUGYNKMNEAI-ZDUSSCGKSA-N 0 0 305.378 0.190 50 0 DCAARN CN(CCn1ccc2ccccc21)C(=O)CN1C(=O)CNC1=O ZINC000020781341 182246529 /nfs/dbraw/zinc/24/65/29/182246529.db2.gz XBTGMZGTDLWSOE-UHFFFAOYSA-N 0 0 314.345 0.652 50 0 DCAARN COC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCO3)CC1=O ZINC000020868783 182250871 /nfs/dbraw/zinc/25/08/71/182250871.db2.gz LEDXGIIRTOPUBQ-UHFFFAOYSA-N 0 0 318.329 0.079 50 0 DCAARN C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(=O)[nH]n2)C[C@@H](C)O1 ZINC000021048135 182263550 /nfs/dbraw/zinc/26/35/50/182263550.db2.gz NDYDKAIAWRVPBY-GHMZBOCLSA-N 0 0 308.382 0.388 50 0 DCAARN C[C@H](NC(=O)c1ccc[nH]c1=O)c1ccc(S(N)(=O)=O)cc1 ZINC000021910984 182298207 /nfs/dbraw/zinc/29/82/07/182298207.db2.gz AVHIARSUNNSBKM-VIFPVBQESA-N 0 0 321.358 0.513 50 0 DCAARN Cn1c2ccccc2n(CC(=O)NC2CCCC2)c(=O)c1=O ZINC000021943606 182299323 /nfs/dbraw/zinc/29/93/23/182299323.db2.gz LXOWYNWLFRCLMV-UHFFFAOYSA-N 0 0 301.346 0.759 50 0 DCAARN O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ncccc1O ZINC000022261977 182315838 /nfs/dbraw/zinc/31/58/38/182315838.db2.gz ASDKYPKKWGVKQL-UWVGGRQHSA-N 0 0 301.302 0.677 50 0 DCAARN CN1N=C(C(=O)N2CCN(c3nccs3)CC2)CCC1=O ZINC000022320715 182317571 /nfs/dbraw/zinc/31/75/71/182317571.db2.gz MUYGJEAOZQWGJM-UHFFFAOYSA-N 0 0 307.379 0.400 50 0 DCAARN O=C(Cn1cnc2ccccc2c1=O)NCc1nnc2n1CCC2 ZINC000022190495 182312659 /nfs/dbraw/zinc/31/26/59/182312659.db2.gz UIWOWYYSYMOOOJ-UHFFFAOYSA-N 0 0 324.344 0.251 50 0 DCAARN COCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000022845513 182336606 /nfs/dbraw/zinc/33/66/06/182336606.db2.gz LWBTVTZNVQKWEG-UHFFFAOYSA-N 0 0 302.352 0.530 50 0 DCAARN COCCNC(=O)Cn1nc2c(c1NC(=O)C1CC1)CSC2 ZINC000023138892 182350574 /nfs/dbraw/zinc/35/05/74/182350574.db2.gz RQGACEHFEVKYFD-UHFFFAOYSA-N 0 0 324.406 0.741 50 0 DCAARN O=C(CCCn1c(=O)oc2ccccc21)N1CCNC(=O)C1 ZINC000023419000 182360537 /nfs/dbraw/zinc/36/05/37/182360537.db2.gz YDEBDTFUMDSNGN-UHFFFAOYSA-N 0 0 303.318 0.333 50 0 DCAARN CCN(CCCO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000024932398 182395363 /nfs/dbraw/zinc/39/53/63/182395363.db2.gz AGSMITXTMOANTD-UHFFFAOYSA-N 0 0 318.377 0.376 50 0 DCAARN COC(=O)Cc1csc(NC(=O)c2ccc(=O)n(C)n2)n1 ZINC000031762818 182622681 /nfs/dbraw/zinc/62/26/81/182622681.db2.gz SBIYGOUVQLQVLX-UHFFFAOYSA-N 0 0 308.319 0.205 50 0 DCAARN C[C@H]1CN(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)CCO1 ZINC000032869472 182673337 /nfs/dbraw/zinc/67/33/37/182673337.db2.gz MUVPEDJFAWOOPU-JSGCOSHPSA-N 0 0 303.362 0.828 50 0 DCAARN NC(=O)N1CCC[C@H](C(=O)Nc2ccc(-n3cccn3)nc2)C1 ZINC000032965957 182685404 /nfs/dbraw/zinc/68/54/04/182685404.db2.gz WGLNUCPDYHRJOK-NSHDSACASA-N 0 0 314.349 0.997 50 0 DCAARN CCCCNC(=O)c1cc(C)nc2c1c(=O)n(C)c(=O)n2C ZINC000035505606 182777646 /nfs/dbraw/zinc/77/76/46/182777646.db2.gz FRRMPPMVKNTCIO-UHFFFAOYSA-N 0 0 304.350 0.471 50 0 DCAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(N)=O ZINC000039194848 183014834 /nfs/dbraw/zinc/01/48/34/183014834.db2.gz DGVSXEUQANFHEX-GFCCVEGCSA-N 0 0 314.288 0.748 50 0 DCAARN CS(=O)(=O)CCN1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000040466358 183072774 /nfs/dbraw/zinc/07/27/74/183072774.db2.gz VCILSHHBMKXPGW-UHFFFAOYSA-N 0 0 324.446 0.784 50 0 DCAARN O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1ccc2c(c1)OCO2 ZINC000040468653 183073641 /nfs/dbraw/zinc/07/36/41/183073641.db2.gz PBMKQFKSGROYQQ-LLVKDONJSA-N 0 0 309.343 0.980 50 0 DCAARN CCNC(=O)CN1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000040496575 183081121 /nfs/dbraw/zinc/08/11/21/183081121.db2.gz JUFUGCDEQKBWFJ-UHFFFAOYSA-N 0 0 305.378 0.589 50 0 DCAARN C[C@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)[C@@H]1CCCO1 ZINC000040497647 183082109 /nfs/dbraw/zinc/08/21/09/183082109.db2.gz HKIZSQMAQRQTJL-GWCFXTLKSA-N 0 0 317.345 0.374 50 0 DCAARN C[C@@H]1CN(C(=O)CCn2nnc3ccccc3c2=O)[C@@H](C)CO1 ZINC000040499031 183082935 /nfs/dbraw/zinc/08/29/35/183082935.db2.gz ICRYXBUTYZVFFI-NWDGAFQWSA-N 0 0 316.361 0.817 50 0 DCAARN C[C@H]1CCCN(S(=O)(=O)NCc2ccc(C(N)=O)cc2)C1 ZINC000040501560 183083202 /nfs/dbraw/zinc/08/32/02/183083202.db2.gz FZNVYJNKCZZQMX-NSHDSACASA-N 0 0 311.407 0.852 50 0 DCAARN O=C(Cn1nnc2ccccc21)NCCN1C(=O)CSC1=O ZINC000040505085 183085366 /nfs/dbraw/zinc/08/53/66/183085366.db2.gz PBQLDNXRBVPUBK-UHFFFAOYSA-N 0 0 319.346 0.243 50 0 DCAARN O=S(=O)(NCc1cccnc1-n1cncn1)N1CCCCC1 ZINC000040527735 183093480 /nfs/dbraw/zinc/09/34/80/183093480.db2.gz QWQWHNLYHMAECJ-UHFFFAOYSA-N 0 0 322.394 0.483 50 0 DCAARN O=C(Cc1ccc(-n2cccn2)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000040529730 183094122 /nfs/dbraw/zinc/09/41/22/183094122.db2.gz NKIUGJUGOOKOLK-CYBMUJFWSA-N 0 0 319.386 0.718 50 0 DCAARN COCC(=O)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 ZINC000040540688 183097139 /nfs/dbraw/zinc/09/71/39/183097139.db2.gz ARJDXEIMIKQJFJ-UHFFFAOYSA-N 0 0 306.322 0.620 50 0 DCAARN COc1cc(C(=O)N2CCSCC2)ccc1OCC(N)=O ZINC000040542208 183098535 /nfs/dbraw/zinc/09/85/35/183098535.db2.gz MEWUMQDWLHKLAJ-UHFFFAOYSA-N 0 0 310.375 0.748 50 0 DCAARN Cc1ccc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)o1 ZINC000040542755 183098744 /nfs/dbraw/zinc/09/87/44/183098744.db2.gz UMSSBQXNDGLFMC-LLVKDONJSA-N 0 0 300.380 0.989 50 0 DCAARN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCc1ccccn1 ZINC000040553275 183100697 /nfs/dbraw/zinc/10/06/97/183100697.db2.gz MCGITEWHUSPTRC-UHFFFAOYSA-N 0 0 309.347 0.869 50 0 DCAARN O=C(CNC(=O)c1ccccc1Cl)N[C@@H]1CCCCNC1=O ZINC000040554382 183101198 /nfs/dbraw/zinc/10/11/98/183101198.db2.gz WDZUYADDXWPFEZ-GFCCVEGCSA-N 0 0 323.780 0.855 50 0 DCAARN Cc1ccc(CNC(=O)c2[nH]nc3c2CS(=O)(=O)CC3)o1 ZINC000041120914 183167633 /nfs/dbraw/zinc/16/76/33/183167633.db2.gz RXELWGVGIRCRFI-UHFFFAOYSA-N 0 0 309.347 0.712 50 0 DCAARN C[C@@H]1C[C@H]1C(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000041403824 183189160 /nfs/dbraw/zinc/18/91/60/183189160.db2.gz YFALIFYLIJQUGZ-WISYIIOYSA-N 0 0 304.412 0.198 50 0 DCAARN CC(=O)N1CCC(C(=O)NCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000042032009 183230323 /nfs/dbraw/zinc/23/03/23/183230323.db2.gz WCUVUBSNBVWIGR-CHWSQXEVSA-N 0 0 311.426 0.470 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)c1cnc2n(c1=O)CCS2 ZINC000042501028 183277243 /nfs/dbraw/zinc/27/72/43/183277243.db2.gz WHXPGNAZFQZCHY-VIFPVBQESA-N 0 0 305.363 0.364 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000042502578 183277812 /nfs/dbraw/zinc/27/78/12/183277812.db2.gz IDHXWDRUBMIVLQ-NEPJUHHUSA-N 0 0 314.411 0.059 50 0 DCAARN NC(=O)N1CCC(C(=O)NCCc2cn3ccccc3n2)CC1 ZINC000042660083 183294955 /nfs/dbraw/zinc/29/49/55/183294955.db2.gz IZNACNXVCLHQHS-UHFFFAOYSA-N 0 0 315.377 0.784 50 0 DCAARN O=C(Cn1nc(-c2cccs2)oc1=O)NC[C@H]1CCOC1 ZINC000042725533 183302354 /nfs/dbraw/zinc/30/23/54/183302354.db2.gz GLHBRLLBMDJPJG-SECBINFHSA-N 0 0 309.347 0.718 50 0 DCAARN CCS(=O)(=O)N1CCC(NC(=O)c2ccc(C)nc2)CC1 ZINC000042811175 183311261 /nfs/dbraw/zinc/31/12/61/183311261.db2.gz ANRZDQHLWBOLEO-UHFFFAOYSA-N 0 0 311.407 0.934 50 0 DCAARN NC(=O)[C@@H]1CC(C(=O)OC[C@H]2CCCO2)=NN1c1ccccc1 ZINC000043976345 183391570 /nfs/dbraw/zinc/39/15/70/183391570.db2.gz WMGDLMWBDCCCQV-OCCSQVGLSA-N 0 0 317.345 0.829 50 0 DCAARN NC(=O)[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)C1 ZINC000044893715 183450081 /nfs/dbraw/zinc/45/00/81/183450081.db2.gz GJTPHPIIUOUKFK-DGCLKSJQSA-N 0 0 302.330 0.492 50 0 DCAARN CC(C)Oc1ncccc1CNC(=O)N1CC[C@H](C(N)=O)C1 ZINC000046826167 183569678 /nfs/dbraw/zinc/56/96/78/183569678.db2.gz ROPMNQJDYWYXFZ-LBPRGKRZSA-N 0 0 306.366 0.886 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)c1cnc2sccn2c1=O ZINC000046887932 183571826 /nfs/dbraw/zinc/57/18/26/183571826.db2.gz CMNGOYZPCYJWQO-JTQLQIEISA-N 0 0 322.390 0.207 50 0 DCAARN CC(C)N(C)S(=O)(=O)N1CSC[C@H]1C(=O)N(C)C1CC1 ZINC000106762049 194249657 /nfs/dbraw/zinc/24/96/57/194249657.db2.gz BVNOSRFZLXBYQI-NSHDSACASA-N 0 0 321.468 0.567 50 0 DCAARN CC[C@H](CO)N(Cc1ccccn1)C(=O)CCn1cncn1 ZINC000055224755 183972249 /nfs/dbraw/zinc/97/22/49/183972249.db2.gz GCIUSEPENTWUIL-CQSZACIVSA-N 0 0 303.366 0.863 50 0 DCAARN COc1cccc(CNC(=O)N2CC[C@H](C(N)=O)C2)c1OC ZINC000056445070 184012892 /nfs/dbraw/zinc/01/28/92/184012892.db2.gz AQNALRFQCJOGAR-NSHDSACASA-N 0 0 307.350 0.721 50 0 DCAARN COc1cccc(N2C[C@@H](C(=O)NC(C)(C)C(N)=O)CC2=O)c1 ZINC000057051006 184025872 /nfs/dbraw/zinc/02/58/72/184025872.db2.gz UUKZRJZVDZQTRT-JTQLQIEISA-N 0 0 319.361 0.428 50 0 DCAARN CN(C)C(=O)COc1cc(C(=O)Nc2nccs2)nn1C ZINC000057312682 184032912 /nfs/dbraw/zinc/03/29/12/184032912.db2.gz UDZAYDPQRJBYPT-UHFFFAOYSA-N 0 0 309.351 0.596 50 0 DCAARN CC(C)Sc1ncccc1C(=O)NCCS(N)(=O)=O ZINC000056863140 184020657 /nfs/dbraw/zinc/02/06/57/184020657.db2.gz WMBLCAMRYISCFY-UHFFFAOYSA-N 0 0 303.409 0.600 50 0 DCAARN COCCNC(=O)CSc1nc2ccccc2c(=O)n1C ZINC000057472349 184039627 /nfs/dbraw/zinc/03/96/27/184039627.db2.gz BJDZUGUCLKGWLL-UHFFFAOYSA-N 0 0 307.375 0.788 50 0 DCAARN C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCCNc1cnccn1 ZINC000058017707 184067645 /nfs/dbraw/zinc/06/76/45/184067645.db2.gz GRPDUDICCSAHHE-OLZOCXBDSA-N 0 0 308.382 0.979 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000058215742 184089300 /nfs/dbraw/zinc/08/93/00/184089300.db2.gz HFOBGSGWNAIPPB-UHFFFAOYSA-N 0 0 308.306 0.087 50 0 DCAARN COC[C@H](C)NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000058367514 184109480 /nfs/dbraw/zinc/10/94/80/184109480.db2.gz OVVFLXNWIUWAOS-VIFPVBQESA-N 0 0 311.363 0.503 50 0 DCAARN NC(=O)COC(=O)c1nnn(-c2ccc(F)cc2)c1C1CC1 ZINC000058247917 184094769 /nfs/dbraw/zinc/09/47/69/184094769.db2.gz ZRGATXMWNZHISF-UHFFFAOYSA-N 0 0 304.281 0.926 50 0 DCAARN CCN(CC)S(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C ZINC000058268651 184097836 /nfs/dbraw/zinc/09/78/36/184097836.db2.gz MEHUNOUWGACVQE-NWDGAFQWSA-N 0 0 305.444 0.952 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000058267679 184097963 /nfs/dbraw/zinc/09/79/63/184097963.db2.gz VRZUIHWWYRLUNT-JXMROGBWSA-N 0 0 312.391 0.729 50 0 DCAARN CCS(=O)(=O)NCc1cccc(CS(=O)(=O)NC)c1 ZINC000058283491 184100549 /nfs/dbraw/zinc/10/05/49/184100549.db2.gz OLOQZABHMQFREZ-UHFFFAOYSA-N 0 0 306.409 0.175 50 0 DCAARN CCNC(=O)NC(=O)CN1CCN(C(=O)C2CCCCC2)CC1 ZINC000058299585 184102702 /nfs/dbraw/zinc/10/27/02/184102702.db2.gz RDPBNMHNJNRIEA-UHFFFAOYSA-N 0 0 324.425 0.557 50 0 DCAARN CN(CCc1cccs1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000058304824 184102816 /nfs/dbraw/zinc/10/28/16/184102816.db2.gz UZVXWZYYDSVRGI-LLVKDONJSA-N 0 0 316.448 0.526 50 0 DCAARN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@H](C)C(N)=O ZINC000058412679 184115017 /nfs/dbraw/zinc/11/50/17/184115017.db2.gz DAWJTKACCUHVQH-LLVKDONJSA-N 0 0 309.414 0.344 50 0 DCAARN COC(=O)c1cccc(OCCn2cnnc2[S@@](C)=O)c1 ZINC000058417993 184115151 /nfs/dbraw/zinc/11/51/51/184115151.db2.gz AZQLDTQZDRXIRT-NRFANRHFSA-N 0 0 309.347 0.881 50 0 DCAARN c1ncc(NC[C@]2(N3CCOCC3)CCSC2)n2nnnc12 ZINC000058424053 184116407 /nfs/dbraw/zinc/11/64/07/184116407.db2.gz PUZNYBHLZAEGNH-CYBMUJFWSA-N 0 0 321.410 0.139 50 0 DCAARN COC(=O)[C@H](NC(=O)CCN1CCOC1=O)c1ccccc1 ZINC000060317845 184146326 /nfs/dbraw/zinc/14/63/26/184146326.db2.gz UPWARCQEPLEALT-CYBMUJFWSA-N 0 0 306.318 0.859 50 0 DCAARN Cc1ccc2nc(CNC(=O)CC[C@@H]3NC(=O)NC3=O)cn2c1 ZINC000060403709 184148727 /nfs/dbraw/zinc/14/87/27/184148727.db2.gz MDRBNTIBUIAKKL-NSHDSACASA-N 0 0 315.333 0.247 50 0 DCAARN O=C(c1cn[nH]n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000062639967 184246343 /nfs/dbraw/zinc/24/63/43/184246343.db2.gz ICCDXXCAIURKHD-UHFFFAOYSA-N 0 0 315.333 0.491 50 0 DCAARN CCCc1nc(C[S@](=O)[C@@H](C)C(=O)NCCCOC)no1 ZINC000064824468 184304038 /nfs/dbraw/zinc/30/40/38/184304038.db2.gz IIUZSPTUPDCPHY-CHNSCGDPSA-N 0 0 317.411 0.812 50 0 DCAARN Cn1cccc1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000065083908 184310232 /nfs/dbraw/zinc/31/02/32/184310232.db2.gz LYZVYWOYRUBLOB-UHFFFAOYSA-N 0 0 307.331 0.494 50 0 DCAARN CCn1cncc1CNC(=O)c1cc2n(n1)CCCN(C)C2 ZINC000065387040 184333785 /nfs/dbraw/zinc/33/37/85/184333785.db2.gz ZNBWNYURYNUILR-UHFFFAOYSA-N 0 0 302.382 0.865 50 0 DCAARN CCOCCCNC(=O)c1nc2cccnc2n(CC)c1=O ZINC000065282745 184320553 /nfs/dbraw/zinc/32/05/53/184320553.db2.gz FMSCBGYVCOXGRN-UHFFFAOYSA-N 0 0 304.350 0.968 50 0 DCAARN NC(=O)CNC(=O)c1nc(-c2ccccc2)nc2c1OCCO2 ZINC000065293196 184323908 /nfs/dbraw/zinc/32/39/08/184323908.db2.gz CSCGGKJZWYAAFU-UHFFFAOYSA-N 0 0 314.301 0.130 50 0 DCAARN Cc1nc(C(C)C)sc1C(=O)NCCNS(C)(=O)=O ZINC000065369953 184329369 /nfs/dbraw/zinc/32/93/69/184329369.db2.gz MTQFGDJQVSIQAM-UHFFFAOYSA-N 0 0 305.425 0.854 50 0 DCAARN O=C1CN(CCSc2ccccn2)C(=O)[C@@H]2C[C@H](O)CCN12 ZINC000065375266 184331102 /nfs/dbraw/zinc/33/11/02/184331102.db2.gz FZODARSIINHXHR-NEPJUHHUSA-N 0 0 321.402 0.368 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCc1cc[nH]n1 ZINC000065440302 184345757 /nfs/dbraw/zinc/34/57/57/184345757.db2.gz DBYSMDQRDGUYRQ-LLVKDONJSA-N 0 0 315.399 0.023 50 0 DCAARN O=C(NCCn1ccnc1)N1CCN(Cc2cccnc2)CC1 ZINC000065449301 184346222 /nfs/dbraw/zinc/34/62/22/184346222.db2.gz UKJQGDYTBXHRQW-UHFFFAOYSA-N 0 0 314.393 0.806 50 0 DCAARN CN(C)c1ncnc2c1CN(C[C@@H](O)Cn1cccn1)CC2 ZINC000065453746 184346753 /nfs/dbraw/zinc/34/67/53/184346753.db2.gz RKZDKUIWAPXBIW-GFCCVEGCSA-N 0 0 302.382 0.158 50 0 DCAARN COC(=O)c1cc2n(n1)CCN(C(=O)[C@H](C)N1CCCC1=O)C2 ZINC000065454732 184347632 /nfs/dbraw/zinc/34/76/32/184347632.db2.gz XEPLADIBXDVYEP-JTQLQIEISA-N 0 0 320.349 0.023 50 0 DCAARN O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1CCc2nccn2C1 ZINC000065463139 184349760 /nfs/dbraw/zinc/34/97/60/184349760.db2.gz OXCUFEBYEZVWKU-GFCCVEGCSA-N 0 0 323.356 0.724 50 0 DCAARN O=C(Cn1cnc2ccccc2c1=O)N[C@H]1CCc2nccn2C1 ZINC000065465667 184350151 /nfs/dbraw/zinc/35/01/51/184350151.db2.gz YHQKSJDQZTUDCO-LBPRGKRZSA-N 0 0 323.356 0.724 50 0 DCAARN CCn1ncnc1CN1CCC(c2n[nH]c(=O)n2CC)CC1 ZINC000065488123 184353026 /nfs/dbraw/zinc/35/30/26/184353026.db2.gz PMHFSJMMVVXXGH-UHFFFAOYSA-N 0 0 305.386 0.582 50 0 DCAARN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000065493604 184354038 /nfs/dbraw/zinc/35/40/38/184354038.db2.gz YATDDJNPIHGIIX-OLZOCXBDSA-N 0 0 319.409 0.843 50 0 DCAARN Cc1cc(C)c(CNC(=O)N[C@@H](C)CN2CCCC2=O)c(=O)[nH]1 ZINC000065534174 184361939 /nfs/dbraw/zinc/36/19/39/184361939.db2.gz ABRFXNXPTFZGHG-LBPRGKRZSA-N 0 0 320.393 0.802 50 0 DCAARN NC(=O)C1CCN(C(=O)CCNC(=O)c2ccccc2)CC1 ZINC000065568285 184367395 /nfs/dbraw/zinc/36/73/95/184367395.db2.gz XLQVYUKNZCDXOY-UHFFFAOYSA-N 0 0 303.362 0.530 50 0 DCAARN CC(C)(C)NC(=O)NC(=O)CNc1ccc(C(N)=O)c(F)c1 ZINC000065593030 184370298 /nfs/dbraw/zinc/37/02/98/184370298.db2.gz PQCCRARALSESAE-UHFFFAOYSA-N 0 0 310.329 0.961 50 0 DCAARN Cc1nnc(SCCNC(=O)c2cc3n(n2)CCNC3)s1 ZINC000065494637 184355163 /nfs/dbraw/zinc/35/51/63/184355163.db2.gz YZNZUMDYGAISNC-UHFFFAOYSA-N 0 0 324.435 0.668 50 0 DCAARN C[C@@H](CNC(=O)c1cc2n(n1)CCNC2)Oc1cccnc1 ZINC000065505465 184357117 /nfs/dbraw/zinc/35/71/17/184357117.db2.gz STRMGSDXZHEWKL-NSHDSACASA-N 0 0 301.350 0.579 50 0 DCAARN Cc1nn(CN2CCO[C@@H](C(N)=O)C2)c(C)c1Br ZINC000068617452 184493333 /nfs/dbraw/zinc/49/33/33/184493333.db2.gz ALYVRDWELUYJRG-SECBINFHSA-N 0 0 317.187 0.406 50 0 DCAARN O=C(c1ccc2c(c1)CC(=O)N2)N1CCN(c2ncccn2)CC1 ZINC000069391507 184512075 /nfs/dbraw/zinc/51/20/75/184512075.db2.gz WWXQCNKBLYVHCF-UHFFFAOYSA-N 0 0 323.356 0.934 50 0 DCAARN COC(=O)c1ccccc1Cn1cc(S(=O)(=O)N(C)C)cn1 ZINC000348133391 254222492 /nfs/dbraw/zinc/22/24/92/254222492.db2.gz LIMIOEOLFUTVRW-UHFFFAOYSA-N 0 0 323.374 0.968 50 0 DCAARN O=C(CCn1nnc2ccccc2c1=O)NCc1nccs1 ZINC000040539119 256533733 /nfs/dbraw/zinc/53/37/33/256533733.db2.gz QKNBTGFBKVMPOC-UHFFFAOYSA-N 0 0 315.358 0.955 50 0 DCAARN C[C@H]1CCCN(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)C1 ZINC000045799291 256535153 /nfs/dbraw/zinc/53/51/53/256535153.db2.gz OIXLPRNPUNOANN-AAEUAGOBSA-N 0 0 311.407 0.779 50 0 DCAARN CC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000005817323 257233899 /nfs/dbraw/zinc/23/38/99/257233899.db2.gz HOFBKIOPHRQWQM-PWSUYJOCSA-N 0 0 313.398 0.188 50 0 DCAARN COC(=O)c1nc(NC(=O)CCCn2cnnn2)sc1C ZINC000524734639 257213663 /nfs/dbraw/zinc/21/36/63/257213663.db2.gz XNTMVDCELSIBTM-UHFFFAOYSA-N 0 0 310.339 0.644 50 0 DCAARN Cc1nccn1Cc1cccc(CNC(=O)[C@H]2COCCN2)c1 ZINC000237631711 257238674 /nfs/dbraw/zinc/23/86/74/257238674.db2.gz MOCMMNDWWJKWCK-MRXNPFEDSA-N 0 0 314.389 0.844 50 0 DCAARN CCN(CC)C(=O)Cn1cnc2sc(C(N)=O)c(C)c2c1=O ZINC000005000993 257242974 /nfs/dbraw/zinc/24/29/74/257242974.db2.gz IHSKGYZDFWECQZ-UHFFFAOYSA-N 0 0 322.390 0.734 50 0 DCAARN Cn1ccnc1CN1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1 ZINC000426701632 257243436 /nfs/dbraw/zinc/24/34/36/257243436.db2.gz OWGQOTSPKIKMPQ-HUUCEWRRSA-N 0 0 314.389 0.785 50 0 DCAARN O=C(NCC[C@H]1COc2ccccc2O1)c1cncc(=O)[nH]1 ZINC000426727538 257243896 /nfs/dbraw/zinc/24/38/96/257243896.db2.gz UFDOSXCLVMSFPK-JTQLQIEISA-N 0 0 301.302 0.730 50 0 DCAARN O=C(NCCc1cn[nH]n1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000426691363 257244199 /nfs/dbraw/zinc/24/41/99/257244199.db2.gz XEMWJGVZNCBLMU-NSHDSACASA-N 0 0 303.297 0.729 50 0 DCAARN Cc1ccn2c(nnc2C(=O)N(C)Cc2[nH]nc3c2CCC3)n1 ZINC000426624869 257245394 /nfs/dbraw/zinc/24/53/94/257245394.db2.gz UPRHKNZGEULHSS-UHFFFAOYSA-N 0 0 311.349 0.917 50 0 DCAARN O=C(C1Cc2ccccc2C1)N1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000426598905 257246239 /nfs/dbraw/zinc/24/62/39/257246239.db2.gz OSNOLIDZOVUKNI-ZYGGUILKSA-N 0 0 301.386 0.992 50 0 DCAARN COCC(C)(C)CNC(=O)c1cc2ncc(CCO)cn2n1 ZINC000426545430 257246725 /nfs/dbraw/zinc/24/67/25/257246725.db2.gz YHPULPOABVKJDO-UHFFFAOYSA-N 0 0 306.366 0.667 50 0 DCAARN O=C(NCCCc1nnn[n-]1)c1cnc(-c2ccccn2)nc1 ZINC000426537788 257246762 /nfs/dbraw/zinc/24/67/62/257246762.db2.gz WIWXYQZNLDWNIT-UHFFFAOYSA-N 0 0 310.321 0.414 50 0 DCAARN Cc1cc(=O)c(C(=O)NC2CCN(C(=O)C3CC3)CC2)cn1C ZINC000426535916 257247877 /nfs/dbraw/zinc/24/78/77/257247877.db2.gz QUSJUYIXUSJMSL-UHFFFAOYSA-N 0 0 317.389 0.825 50 0 DCAARN O=C(NCc1nc(-c2cnccn2)n[nH]1)c1cc(C2CC2)n[nH]1 ZINC000426510088 257248545 /nfs/dbraw/zinc/24/85/45/257248545.db2.gz JUXOLGLOUBNTRF-UHFFFAOYSA-N 0 0 310.321 0.792 50 0 DCAARN CN(CC[C@@H](O)c1ccccc1)C(=O)CN1CCN(C)C1=O ZINC000426504600 257248834 /nfs/dbraw/zinc/24/88/34/257248834.db2.gz PCQLZNAEBVHKQX-CQSZACIVSA-N 0 0 305.378 0.936 50 0 DCAARN C[C@H](C(=O)NCCc1cn[nH]n1)n1cnc2ccccc2c1=O ZINC000426465254 257250288 /nfs/dbraw/zinc/25/02/88/257250288.db2.gz OYFQKNQACGORQJ-SNVBAGLBSA-N 0 0 312.333 0.435 50 0 DCAARN Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1COC(=O)N1 ZINC000426383166 257252422 /nfs/dbraw/zinc/25/24/22/257252422.db2.gz VRTFGCYKELOJBJ-LBPRGKRZSA-N 0 0 300.318 0.905 50 0 DCAARN CCc1noc(CNC(=O)N(C)Cc2nncn2CCOC)n1 ZINC000426399030 257252731 /nfs/dbraw/zinc/25/27/31/257252731.db2.gz MHYDITFEGOYXMS-UHFFFAOYSA-N 0 0 323.357 0.212 50 0 DCAARN COC(=O)CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21 ZINC000334161970 257262458 /nfs/dbraw/zinc/26/24/58/257262458.db2.gz KZDUFSRXXIPTOY-HOTUBEGUSA-N 0 0 315.395 0.001 50 0 DCAARN COc1ccc(OC)c(-n2nnnc2S[C@H](C)C(N)=O)c1 ZINC000058306574 257270075 /nfs/dbraw/zinc/27/00/75/257270075.db2.gz GKKGFAVDFWJUNX-SSDOTTSWSA-N 0 0 309.351 0.645 50 0 DCAARN Cc1n[nH]cc1CNC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000285226790 131149220 /nfs/dbraw/zinc/14/92/20/131149220.db2.gz PPSNPAHPKOKZQQ-MCIONIFRSA-N 0 0 308.382 0.790 50 0 DCAARN Cc1cnc(C)c(N2CC[C@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091625360 292887754 /nfs/dbraw/zinc/88/77/54/292887754.db2.gz GDBRTMAXHHLRMZ-INIZCTEOSA-N 0 0 304.394 0.905 50 0 DCAARN CCn1ccnc1CN(C)c1cc(N2CCOCC2)nc(N)n1 ZINC000065372043 134822464 /nfs/dbraw/zinc/82/24/64/134822464.db2.gz QVXNWWQOHZEOSF-UHFFFAOYSA-N 0 0 317.397 0.748 50 0 DCAARN Cc1cccc(OC[C@@H](O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000008326797 395684404 /nfs/dbraw/zinc/68/44/04/395684404.db2.gz ACTKNOLLKBLYSD-KGLIPLIRSA-N 0 0 313.419 0.854 50 0 DCAARN COCCCNS(=O)(=O)c1cc(NC(C)=O)ccc1OC ZINC000008327025 395684417 /nfs/dbraw/zinc/68/44/17/395684417.db2.gz HVXDSAQDADVKNS-UHFFFAOYSA-N 0 0 316.379 0.968 50 0 DCAARN COCCNC(=O)NC(=O)CSc1nnc2ccccn21 ZINC000008342983 395684440 /nfs/dbraw/zinc/68/44/40/395684440.db2.gz LTCBGSOEASBTAC-UHFFFAOYSA-N 0 0 309.351 0.294 50 0 DCAARN CC(C)CNC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000008776601 395684924 /nfs/dbraw/zinc/68/49/24/395684924.db2.gz GBGLXROOCFYTDY-ZDUSSCGKSA-N 0 0 303.362 0.922 50 0 DCAARN CCOC(=O)CCCNC(=O)CSc1nc2ncccn2n1 ZINC000009113210 395685146 /nfs/dbraw/zinc/68/51/46/395685146.db2.gz UYEGUHNPFDZHLF-UHFFFAOYSA-N 0 0 323.378 0.676 50 0 DCAARN O=C(Nc1cc(=O)[nH]c2nc(-c3ccco3)nn21)[C@H]1CCCO1 ZINC000009109108 395685189 /nfs/dbraw/zinc/68/51/89/395685189.db2.gz MVUJKZOUQOFKSG-SECBINFHSA-N 0 0 315.289 0.795 50 0 DCAARN Cn1c(=O)cc(CNC(=O)c2c[nH]c3ccccc23)n(C)c1=O ZINC000009485228 395685372 /nfs/dbraw/zinc/68/53/72/395685372.db2.gz DDJRFFAFWVGLQG-UHFFFAOYSA-N 0 0 312.329 0.495 50 0 DCAARN Cc1cc(NC(=O)C(=O)NC[C@H](c2ccco2)N(C)C)no1 ZINC000010330896 395686035 /nfs/dbraw/zinc/68/60/35/395686035.db2.gz JBYMVVQSDPUVLT-SNVBAGLBSA-N 0 0 306.322 0.934 50 0 DCAARN C[C@H]1Oc2ccccc2O[C@H]1C(=O)OCc1nc(N)nc(N)n1 ZINC000010955419 395686279 /nfs/dbraw/zinc/68/62/79/395686279.db2.gz XAQXGSBDKWGTCX-RDDDGLTNSA-N 0 0 317.305 0.308 50 0 DCAARN CCOCC(=O)NCCNC(=O)c1ccc(NC(C)=O)cc1 ZINC000011739597 395686786 /nfs/dbraw/zinc/68/67/86/395686786.db2.gz QZFKWNJGGYWQHP-UHFFFAOYSA-N 0 0 307.350 0.528 50 0 DCAARN CN1c2ccc(S(=O)(=O)NCCO)c3cccc(c23)C1=O ZINC000011691630 395686821 /nfs/dbraw/zinc/68/68/21/395686821.db2.gz LNPGNKOIDQSCPQ-UHFFFAOYSA-N 0 0 306.343 0.700 50 0 DCAARN O=c1cccnn1CCNS(=O)(=O)c1ccc(F)cc1F ZINC000011856331 395686981 /nfs/dbraw/zinc/68/69/81/395686981.db2.gz SDWGVVDYXBOMPE-UHFFFAOYSA-N 0 0 315.301 0.500 50 0 DCAARN O=CN1CCN(C(=O)[C@H]2CC(Cc3ccccc3)=NO2)CC1 ZINC000012244515 395687222 /nfs/dbraw/zinc/68/72/22/395687222.db2.gz FHAUMQRYACSKJG-OAHLLOKOSA-N 0 0 301.346 0.675 50 0 DCAARN O=c1[nH]n(CN2CCC3(CC2)OCCO3)c(=O)c2ccccc12 ZINC000012360251 395687454 /nfs/dbraw/zinc/68/74/54/395687454.db2.gz ZWVGXKIAMUKJPK-UHFFFAOYSA-N 0 0 317.345 0.899 50 0 DCAARN Cn1nnc2c1ncn(CC(=O)Nc1cccc(F)c1)c2=O ZINC000012443921 395687637 /nfs/dbraw/zinc/68/76/37/395687637.db2.gz AWSUYDDWGZGUSY-UHFFFAOYSA-N 0 0 302.269 0.303 50 0 DCAARN O=C(NCc1cccnc1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000012554793 395687769 /nfs/dbraw/zinc/68/77/69/395687769.db2.gz QMSKVNSRUMSUOA-UHFFFAOYSA-N 0 0 318.358 0.195 50 0 DCAARN CN(CC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1 ZINC000012549832 395687794 /nfs/dbraw/zinc/68/77/94/395687794.db2.gz FPLGSVGQXWCNJJ-UHFFFAOYSA-N 0 0 311.407 0.227 50 0 DCAARN Cc1ccc(Cn2c(NN)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000012558755 395687892 /nfs/dbraw/zinc/68/78/92/395687892.db2.gz MRNAAEBZBXPEMD-UHFFFAOYSA-N 0 0 300.322 0.066 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)OC)c1 ZINC000012796781 395687968 /nfs/dbraw/zinc/68/79/68/395687968.db2.gz SWAJIWIYAJJPGR-QMMMGPOBSA-N 0 0 301.320 0.313 50 0 DCAARN Cc1cc(NC(=O)N2CCC(NS(C)(=O)=O)CC2)no1 ZINC000012791804 395688059 /nfs/dbraw/zinc/68/80/59/395688059.db2.gz HYRPSWKNHOZEDP-UHFFFAOYSA-N 0 0 302.356 0.529 50 0 DCAARN Cc1csc(=O)n1CCN1CCN(c2ncccn2)CC1 ZINC000012927727 395688123 /nfs/dbraw/zinc/68/81/23/395688123.db2.gz OIEHGSSZODZXSE-UHFFFAOYSA-N 0 0 305.407 0.830 50 0 DCAARN Cc1c(CC(=O)NC[C@H](C)O)c(=O)oc2cc(O)cc(O)c12 ZINC000012892880 395688138 /nfs/dbraw/zinc/68/81/38/395688138.db2.gz BTBXRLAVEUKQLD-ZETCQYMHSA-N 0 0 307.302 0.552 50 0 biogenic DCAARN CC(=O)N[C@H](C(=O)N1CCN(c2nccs2)CC1)C(C)C ZINC000013001246 395688256 /nfs/dbraw/zinc/68/82/56/395688256.db2.gz WKYQRCBLPOVBRJ-LBPRGKRZSA-N 0 0 310.423 0.952 50 0 DCAARN CCOC(=O)[C@@H]1CCCCN1C(=O)CSc1nnnn1C ZINC000012983028 395688358 /nfs/dbraw/zinc/68/83/58/395688358.db2.gz YRJNJHOKIUBJSR-VIFPVBQESA-N 0 0 313.383 0.246 50 0 DCAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N=c1[nH]c2ccccc2[nH]1 ZINC000013152705 395688364 /nfs/dbraw/zinc/68/83/64/395688364.db2.gz ZEUWKGLINABKTC-GHMZBOCLSA-N 0 0 324.340 0.875 50 0 DCAARN O=C(CN1CCN(c2ccccn2)CC1)Nc1nncs1 ZINC000013323834 395688512 /nfs/dbraw/zinc/68/85/12/395688512.db2.gz KJXXKJJTLZVDCU-UHFFFAOYSA-N 0 0 304.379 0.694 50 0 DCAARN COC(=O)c1ccc(NC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 ZINC000013361308 395688556 /nfs/dbraw/zinc/68/85/56/395688556.db2.gz QCAWMFLNDHBCLJ-UHFFFAOYSA-N 0 0 304.262 0.494 50 0 DCAARN C[C@H]1CN(C(=O)CSc2ncnc3c2nnn3C)C[C@H](C)O1 ZINC000013531926 395688736 /nfs/dbraw/zinc/68/87/36/395688736.db2.gz KPKGHURUTGOBRX-IUCAKERBSA-N 0 0 322.394 0.486 50 0 DCAARN O=C(COC(=O)c1ccc(-n2cccn2)cc1)N1CCOCC1 ZINC000014167489 395689344 /nfs/dbraw/zinc/68/93/44/395689344.db2.gz MDVDORJPTSMCIP-UHFFFAOYSA-N 0 0 315.329 0.888 50 0 DCAARN C[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000014244561 395689479 /nfs/dbraw/zinc/68/94/79/395689479.db2.gz BBGOBENZBUNWKG-ZYHUDNBSSA-N 0 0 303.366 0.825 50 0 DCAARN CSc1cccc(CN2CCN3C(=O)[C@H](C)NC(=O)[C@H]3C2)c1 ZINC000014537493 395689490 /nfs/dbraw/zinc/68/94/90/395689490.db2.gz MZJREGHPPQHAPD-SMDDNHRTSA-N 0 0 319.430 0.940 50 0 DCAARN CC[C@@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccccc3)CCN2C1=O ZINC000014731916 395689617 /nfs/dbraw/zinc/68/96/17/395689617.db2.gz LXMIYIIZCUQTHT-QWHCGFSZSA-N 0 0 317.345 0.607 50 0 DCAARN COc1c2c(cc([C@H]3ON=C(C(N)=O)[C@@H]3C)c1OC)OCO2 ZINC000015082577 395689718 /nfs/dbraw/zinc/68/97/18/395689718.db2.gz UUGPYRTYBNIBAR-WKEGUHRASA-N 0 0 308.290 0.981 50 0 DCAARN Cn1c2nc(-c3nc4ccccc4[nH]3)c(N)nc2c(=O)n(C)c1=O ZINC000019926629 395691224 /nfs/dbraw/zinc/69/12/24/395691224.db2.gz YASKURZKNQWYHE-UHFFFAOYSA-N 0 0 323.316 0.153 50 0 DCAARN O=S1(=O)C[C@H](N2CCN(c3ccc(F)cc3)CC2)[C@H](O)C1 ZINC000020650549 395691308 /nfs/dbraw/zinc/69/13/08/395691308.db2.gz STXMHHKAALOWCT-UONOGXRCSA-N 0 0 314.382 0.106 50 0 DCAARN O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCN(c2cnccn2)CC1 ZINC000025344321 395693472 /nfs/dbraw/zinc/69/34/72/395693472.db2.gz LUZZENJGEYJHFE-LBPRGKRZSA-N 0 0 315.377 0.136 50 0 DCAARN CCOC(=O)C1=NO[C@H](CON2C(=O)c3ccccc3C2=O)C1 ZINC000000166241 395680011 /nfs/dbraw/zinc/68/00/11/395680011.db2.gz IDBOJVIICNRCEC-VIFPVBQESA-N 0 0 318.285 0.922 50 0 DCAARN Cc1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000000355415 395680367 /nfs/dbraw/zinc/68/03/67/395680367.db2.gz XTFKBKAXUQVWEH-UHFFFAOYSA-N 0 0 312.391 0.478 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000000618836 395680513 /nfs/dbraw/zinc/68/05/13/395680513.db2.gz VJJYHYHDTNKLPG-UHFFFAOYSA-N 0 0 303.409 0.312 50 0 DCAARN COC(=O)C[C@@H]1C(=O)N[C@@H]2CCCC[C@H]2N1C(=O)CCl ZINC000000536500 395680534 /nfs/dbraw/zinc/68/05/34/395680534.db2.gz WMSZAZJMNQNIFY-OPRDCNLKSA-N 0 0 302.758 0.427 50 0 DCAARN CCOC(=O)C(C(=O)OCC)N1C(=O)c2ccccc2C1=O ZINC000001871091 395681257 /nfs/dbraw/zinc/68/12/57/395681257.db2.gz SZNGBHWKVWEBKW-UHFFFAOYSA-N 0 0 305.286 0.777 50 0 DCAARN O=C(NCCNC(=O)c1cncc(O)c1)c1cncc(O)c1 ZINC000001886304 395681324 /nfs/dbraw/zinc/68/13/24/395681324.db2.gz DLBOHDIMXDVSDH-UHFFFAOYSA-N 0 0 302.290 0.048 50 0 DCAARN CS(=O)(=O)NCCCCCCCCNS(C)(=O)=O ZINC000002748956 395681786 /nfs/dbraw/zinc/68/17/86/395681786.db2.gz DIBLBSFGOMETPG-UHFFFAOYSA-N 0 0 300.446 0.425 50 0 DCAARN CCOC(=O)c1ccc(NC(=O)CN2C(=O)CNC2=O)cc1 ZINC000002716169 395681839 /nfs/dbraw/zinc/68/18/39/395681839.db2.gz CAUAUJGCEYDJTJ-UHFFFAOYSA-N 0 0 305.290 0.354 50 0 DCAARN O=C(NC[C@H]1COc2ccccc2O1)C(=O)N1CCCCC1 ZINC000002810368 395681892 /nfs/dbraw/zinc/68/18/92/395681892.db2.gz IEACMFRRDYPEAJ-LBPRGKRZSA-N 0 0 304.346 0.955 50 0 DCAARN O=C(c1ccc2c(c1)OCO2)N1CCN(C[C@H](O)C2CC2)CC1 ZINC000085436613 395700347 /nfs/dbraw/zinc/70/03/47/395700347.db2.gz MMHAFRCIXGNLJY-AWEZNQCLSA-N 0 0 318.373 0.944 50 0 DCAARN CN(C)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000029925246 395700912 /nfs/dbraw/zinc/70/09/12/395700912.db2.gz IVQBJLMPCJGNDL-UHFFFAOYSA-N 0 0 321.406 0.555 50 0 DCAARN COc1cccc(S(=O)(=O)N2CCN(C[C@H](C)O)CC2)c1 ZINC000085467182 395701281 /nfs/dbraw/zinc/70/12/81/395701281.db2.gz JCKROANHKFFWGA-LBPRGKRZSA-N 0 0 314.407 0.382 50 0 DCAARN CCOC(=O)N1CCC(C(=O)NC(C)(C)C(=O)OC)CC1 ZINC000030578639 395702867 /nfs/dbraw/zinc/70/28/67/395702867.db2.gz VMVBBDBWSVSEFR-UHFFFAOYSA-N 0 0 300.355 0.923 50 0 DCAARN CCn1c(=O)c2c(cnn2C)nc1SCCN1CCOCC1 ZINC000036615185 395723825 /nfs/dbraw/zinc/72/38/25/395723825.db2.gz JKEZZLKKUVMJNS-UHFFFAOYSA-N 0 0 323.422 0.574 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cn2cccn2)cc1 ZINC000031230227 395705822 /nfs/dbraw/zinc/70/58/22/395705822.db2.gz LPWJDZZQLXTKOC-NSHDSACASA-N 0 0 322.390 0.610 50 0 DCAARN CCc1c(C(=O)N2CCOCC2)cnn1-c1ccc(=O)[nH]n1 ZINC000032034848 395709070 /nfs/dbraw/zinc/70/90/70/395709070.db2.gz RPNJNSKZBSLQLS-UHFFFAOYSA-N 0 0 303.322 0.403 50 0 DCAARN CC(C)OCCCNC(=O)C1=NN(c2ccccc2)C(=O)CN1 ZINC000032669711 395712299 /nfs/dbraw/zinc/71/22/99/395712299.db2.gz CXFGHZBWRGCFGE-UHFFFAOYSA-N 0 0 318.377 0.868 50 0 DCAARN CC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cc(C)on1 ZINC000032776135 395713104 /nfs/dbraw/zinc/71/31/04/395713104.db2.gz QJMYSPDRANPZME-MWLCHTKSSA-N 0 0 309.322 0.864 50 0 DCAARN CC(C)N1C[C@@H](C(=O)NCC(C)(C)N2CCOCC2)CC1=O ZINC000032816101 395713810 /nfs/dbraw/zinc/71/38/10/395713810.db2.gz QBQJDRXODGHQLG-ZDUSSCGKSA-N 0 0 311.426 0.470 50 0 DCAARN Cc1ccc(OCCNS(=O)(=O)N2CCOCC2)cc1 ZINC000032899995 395714065 /nfs/dbraw/zinc/71/40/65/395714065.db2.gz JJZFZJJUFWXMIB-UHFFFAOYSA-N 0 0 300.380 0.540 50 0 DCAARN O=C(NC[C@]1(O)CCOC1)c1ncccc1OCC(F)(F)F ZINC000089773181 395714921 /nfs/dbraw/zinc/71/49/21/395714921.db2.gz HALNMUIEDZMBBZ-GFCCVEGCSA-N 0 0 320.267 0.904 50 0 DCAARN CCCCn1c(N)c(N(C)C(=O)[C@@H]2CCCO2)c(=O)[nH]c1=O ZINC000032988963 395715277 /nfs/dbraw/zinc/71/52/77/395715277.db2.gz LQDQFANXONPVFB-VIFPVBQESA-N 0 0 310.354 0.061 50 0 DCAARN O=C(NCc1ccc(N2CCCCC2)nc1)[C@@H]1CNC(=O)N1 ZINC000089794229 395715279 /nfs/dbraw/zinc/71/52/79/395715279.db2.gz QQMRBFOLKORARC-LBPRGKRZSA-N 0 0 303.366 0.370 50 0 DCAARN O=C(NCc1nnc2n1CCC2)NC[C@H](O)c1ccc(F)cc1 ZINC000089782928 395715354 /nfs/dbraw/zinc/71/53/54/395715354.db2.gz SBOVZGHJYFLHKK-LBPRGKRZSA-N 0 0 319.340 0.896 50 0 DCAARN CC(C)[C@H](NCC(=O)NC(=O)NC1CC1)C(=O)OC(C)(C)C ZINC000089891086 395715684 /nfs/dbraw/zinc/71/56/84/395715684.db2.gz QGRSRBGIAJVTSH-LBPRGKRZSA-N 0 0 313.398 0.931 50 0 DCAARN C[C@H]1CN(C(=O)[C@H]2COCC(=O)N2Cc2ccccc2)CCO1 ZINC000089939483 395717277 /nfs/dbraw/zinc/71/72/77/395717277.db2.gz PNJAUTFSRKFQOJ-DZGCQCFKSA-N 0 0 318.373 0.661 50 0 DCAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc[nH]n1 ZINC000035598218 395720744 /nfs/dbraw/zinc/72/07/44/395720744.db2.gz NSFDJCIKKNFVGG-JTQLQIEISA-N 0 0 314.305 0.274 50 0 DCAARN COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCCO)C3)cc1 ZINC000035590245 395720821 /nfs/dbraw/zinc/72/08/21/395720821.db2.gz LHQKFNVHUUJTHQ-AWEZNQCLSA-N 0 0 317.345 0.528 50 0 DCAARN Nc1cc(S(=O)(=O)N2CCN(CCO)CC2)ccc1Cl ZINC000035609551 395721365 /nfs/dbraw/zinc/72/13/65/395721365.db2.gz DQDUYZBMKBQOFB-UHFFFAOYSA-N 0 0 319.814 0.221 50 0 DCAARN CC(C)CNC(=O)NC(=O)CN1CCN(C(=O)C2CC2)CC1 ZINC000036383425 395723291 /nfs/dbraw/zinc/72/32/91/395723291.db2.gz DZFDTAXSLSFKEV-UHFFFAOYSA-N 0 0 310.398 0.022 50 0 DCAARN NC(=O)CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000036389682 395723408 /nfs/dbraw/zinc/72/34/08/395723408.db2.gz QEEDFTOISHWENT-UHFFFAOYSA-N 0 0 317.798 0.132 50 0 DCAARN COCCCn1c(=O)[nH]nc1S[C@H]1CCCCNC1=O ZINC000028266661 395695884 /nfs/dbraw/zinc/69/58/84/395695884.db2.gz KRSMXQDBMJYUOQ-VIFPVBQESA-N 0 0 300.384 0.369 50 0 DCAARN C[C@H](C(=O)NCc1ccc(N2CCOCC2)nc1)n1cccn1 ZINC000028514634 395696086 /nfs/dbraw/zinc/69/60/86/395696086.db2.gz UXSSPROBOIPKTJ-CYBMUJFWSA-N 0 0 315.377 0.992 50 0 DCAARN CNC(=O)C1CCN([C@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000029166005 395697103 /nfs/dbraw/zinc/69/71/03/395697103.db2.gz WKWZJYBDUCKTMX-SECBINFHSA-N 0 0 307.402 0.039 50 0 DCAARN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC1CCCCC1 ZINC000029455125 395698099 /nfs/dbraw/zinc/69/80/99/395698099.db2.gz VXDUIPZGAAABTF-CYBMUJFWSA-N 0 0 302.440 0.802 50 0 DCAARN COc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1F ZINC000029656241 395699110 /nfs/dbraw/zinc/69/91/10/395699110.db2.gz XZNUQQUWOSXFKW-UHFFFAOYSA-N 0 0 321.308 0.649 50 0 DCAARN CCN(C[C@@H]1CN(CCn2cccn2)CCO1)c1cccnn1 ZINC000084774630 395699425 /nfs/dbraw/zinc/69/94/25/395699425.db2.gz YXBMSHFRJYRYMU-HNNXBMFYSA-N 0 0 316.409 0.900 50 0 DCAARN Cc1ccc(Br)cc1S(=O)(=O)N(C)CC(N)=O ZINC000037408608 395726629 /nfs/dbraw/zinc/72/66/29/395726629.db2.gz WGWWUPDDIQBFPV-UHFFFAOYSA-N 0 0 321.196 0.863 50 0 DCAARN CCCC(=O)Nc1cc(C(=O)N2CCOCC2)cn(C)c1=O ZINC000038486403 395731778 /nfs/dbraw/zinc/73/17/78/395731778.db2.gz JFJOSFGVTWDIGZ-UHFFFAOYSA-N 0 0 307.350 0.596 50 0 DCAARN O=C(COCC(F)(F)F)N1CCN(c2ncccn2)CC1 ZINC000040529687 395734253 /nfs/dbraw/zinc/73/42/53/395734253.db2.gz DOHAJAJSVSSSJU-UHFFFAOYSA-N 0 0 304.272 0.704 50 0 DCAARN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCn2cncn2)on1 ZINC000096161499 395746581 /nfs/dbraw/zinc/74/65/81/395746581.db2.gz RDUCYQGCAFPVKD-YPMHNXCESA-N 0 0 305.338 0.339 50 0 DCAARN Cc1cccc2ncc(C(=O)N3CCc4[nH]cnc4C3)c(=O)n12 ZINC000096165683 395746638 /nfs/dbraw/zinc/74/66/38/395746638.db2.gz OLSHOEVDZPSMSN-UHFFFAOYSA-N 0 0 309.329 0.925 50 0 DCAARN O=C(C1CCCC1)N1CC(S(=O)(=O)NCc2cccnc2)C1 ZINC000096004948 395740777 /nfs/dbraw/zinc/74/07/77/395740777.db2.gz NKVIULSWVJVWEL-UHFFFAOYSA-N 0 0 323.418 0.902 50 0 DCAARN Cn1nc(CNC(=O)CN2C(=O)CCC2=O)c2c1CCCC2 ZINC000096099118 395744476 /nfs/dbraw/zinc/74/44/76/395744476.db2.gz LDNZYRZLHIGJLK-UHFFFAOYSA-N 0 0 304.350 0.064 50 0 DCAARN O=c1cc(C2CCCC2)ncn1CCNS(=O)(=O)C1CC1 ZINC000096119189 395745568 /nfs/dbraw/zinc/74/55/68/395745568.db2.gz MAHOMZWDZMIGCB-UHFFFAOYSA-N 0 0 311.407 0.983 50 0 DCAARN O=C(CCn1cccn1)NCc1cccnc1N1CCOCC1 ZINC000042495493 395745850 /nfs/dbraw/zinc/74/58/50/395745850.db2.gz PMMUBMFDFAGRAY-UHFFFAOYSA-N 0 0 315.377 0.821 50 0 DCAARN COC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC000096297289 395752405 /nfs/dbraw/zinc/75/24/05/395752405.db2.gz YMTGKXFVHVZFLW-XURPKSDJSA-N 0 0 302.330 0.963 50 0 DCAARN Cc1ccc(F)cc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000096408591 395752783 /nfs/dbraw/zinc/75/27/83/395752783.db2.gz OUJCMYJFNHKGBB-LLVKDONJSA-N 0 0 300.355 0.898 50 0 DCAARN CS(=O)(=O)N[C@H]1CCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000096408593 395752829 /nfs/dbraw/zinc/75/28/29/395752829.db2.gz RGSCNRWJUULBPB-LBPRGKRZSA-N 0 0 300.355 0.518 50 0 DCAARN Cc1cccn2cc(CCNS(=O)(=O)c3cnn(C)c3)nc12 ZINC000096446658 395753542 /nfs/dbraw/zinc/75/35/42/395753542.db2.gz MVHDFKCKWSBLDA-UHFFFAOYSA-N 0 0 319.390 0.897 50 0 DCAARN CCc1nnc2n1C[C@H](NC(=O)CCOC[C@H]1CCCO1)CC2 ZINC000097198677 395755526 /nfs/dbraw/zinc/75/55/26/395755526.db2.gz MMTVTTAMLDRLHA-CHWSQXEVSA-N 0 0 322.409 0.857 50 0 DCAARN COc1ncccc1CNc1ncnc2c1cnn2CCO ZINC000097199851 395755616 /nfs/dbraw/zinc/75/56/16/395755616.db2.gz LWIXRUFHECCUJZ-UHFFFAOYSA-N 0 0 300.322 0.834 50 0 DCAARN NC(=O)c1ccsc1NC(=O)CN1CCn2ccnc2C1 ZINC000097201693 395756023 /nfs/dbraw/zinc/75/60/23/395756023.db2.gz NPUZEZXKTZKIAT-UHFFFAOYSA-N 0 0 305.363 0.498 50 0 DCAARN CS(=O)(=O)c1ccc([C@@H](O)CN2CCn3ccnc3C2)cc1 ZINC000097201581 395756179 /nfs/dbraw/zinc/75/61/79/395756179.db2.gz OCKKPENVVORTFA-AWEZNQCLSA-N 0 0 321.402 0.836 50 0 DCAARN CC/C=C(\C)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000097315685 395756821 /nfs/dbraw/zinc/75/68/21/395756821.db2.gz OHRGUEJYIHEMGF-ZXZGFYSFSA-N 0 0 323.437 0.734 50 0 DCAARN CCn1c(C)nnc1SCCNC(=O)c1ccc(=O)n(C)n1 ZINC000097334217 395756940 /nfs/dbraw/zinc/75/69/40/395756940.db2.gz YTEYUTOWVVVVHN-UHFFFAOYSA-N 0 0 322.394 0.222 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000042910399 395750423 /nfs/dbraw/zinc/75/04/23/395750423.db2.gz HBCJXRJZIZWSLD-OLZOCXBDSA-N 0 0 301.346 0.818 50 0 DCAARN CC(=O)NCCCNC(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000046889858 395782371 /nfs/dbraw/zinc/78/23/71/395782371.db2.gz LKUJWWXJLUTOJC-ZDUSSCGKSA-N 0 0 321.377 0.994 50 0 DCAARN Cc1noc(C)c1CN1CCN(C(=O)[C@H](C)n2cncn2)CC1 ZINC000047091733 395787348 /nfs/dbraw/zinc/78/73/48/395787348.db2.gz FDCCMBAJGAGBOB-LBPRGKRZSA-N 0 0 318.381 0.788 50 0 DCAARN CCC(CC)C(=O)N1CCN(Cc2nnc(C)[nH]2)C[C@@H](O)C1 ZINC000097694616 395759833 /nfs/dbraw/zinc/75/98/33/395759833.db2.gz HUYJFGMHXXEYBS-CYBMUJFWSA-N 0 0 309.414 0.554 50 0 DCAARN CC(=O)N1CCN(c2noc(-c3ccccc3)n2)C[C@@H](O)C1 ZINC000097743074 395760357 /nfs/dbraw/zinc/76/03/57/395760357.db2.gz HWNPTENXSKVDJI-ZDUSSCGKSA-N 0 0 302.334 0.766 50 0 DCAARN O=C(/C=C\c1ccc2c(c1)CCO2)N[C@@H]1CCS(=O)(=O)C1 ZINC000098002320 395761265 /nfs/dbraw/zinc/76/12/65/395761265.db2.gz FVJXCPXLWMJJQM-QDOCKXBDSA-N 0 0 307.371 0.938 50 0 DCAARN O=C(Cn1nc2n(c1=O)CCCC2)NCc1ccc(F)cc1 ZINC000098211228 395762052 /nfs/dbraw/zinc/76/20/52/395762052.db2.gz RGXOULARZSZLCL-UHFFFAOYSA-N 0 0 304.325 0.837 50 0 DCAARN COc1ccccc1N1CCN([C@@H]2CC(=O)N(C)C2=O)CC1 ZINC000100043139 395762112 /nfs/dbraw/zinc/76/21/12/395762112.db2.gz NGTHSYDHCFTZHM-CYBMUJFWSA-N 0 0 303.362 0.575 50 0 DCAARN CC(=O)N1CCN(c2c(=O)c(=O)c2NCc2ccco2)CC1 ZINC000101442305 395764757 /nfs/dbraw/zinc/76/47/57/395764757.db2.gz MBIAGFLQTLHVSY-UHFFFAOYSA-N 0 0 303.318 0.156 50 0 DCAARN CN(Cc1ccc2c(c1)OCO2)C(=O)CN(C)S(C)(=O)=O ZINC000046042254 395770094 /nfs/dbraw/zinc/77/00/94/395770094.db2.gz DCJCLADEHCRGQT-UHFFFAOYSA-N 0 0 314.363 0.265 50 0 DCAARN COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCC(CO)CC1 ZINC000046091232 395770585 /nfs/dbraw/zinc/77/05/85/395770585.db2.gz HYIWORDXSYAXKF-CYBMUJFWSA-N 0 0 300.399 0.395 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(C)c(C(=O)OC)o1 ZINC000046503173 395777772 /nfs/dbraw/zinc/77/77/72/395777772.db2.gz IZXMEHCJOYEOHQ-LLVKDONJSA-N 0 0 324.333 0.238 50 0 DCAARN CS(=O)(=O)c1ccccc1C(=O)N1CCC(CC(N)=O)CC1 ZINC000048374222 395813946 /nfs/dbraw/zinc/81/39/46/395813946.db2.gz VCUAZELWZNUEOW-UHFFFAOYSA-N 0 0 324.402 0.818 50 0 DCAARN COC(=O)c1cc(NC(=O)C(=O)NCCCO)c(F)cc1F ZINC000048601954 395818638 /nfs/dbraw/zinc/81/86/38/395818638.db2.gz TYZRADDCOHSMGI-UHFFFAOYSA-N 0 0 316.260 0.189 50 0 DCAARN NC(=O)c1cnc(NC[C@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000048608091 395820438 /nfs/dbraw/zinc/82/04/38/395820438.db2.gz GRRSKBBNHGGUBD-SSDOTTSWSA-N 0 0 303.771 0.681 50 0 DCAARN O=C(Cn1cnnn1)NCc1ccc(N2CCCCCC2)nc1 ZINC000048938803 395825395 /nfs/dbraw/zinc/82/53/95/395825395.db2.gz VYYBCOINGXSQSK-UHFFFAOYSA-N 0 0 315.381 0.765 50 0 DCAARN COc1ccccc1CC(=O)NCCNc1nc(C)cc(=O)[nH]1 ZINC000219208635 395844799 /nfs/dbraw/zinc/84/47/99/395844799.db2.gz UCUADUDXTODQKQ-UHFFFAOYSA-N 0 0 316.361 0.858 50 0 DCAARN COC[C@H]1[C@@H](NC(=O)CSc2nncn2C)[C@@H]2CCO[C@H]12 ZINC000219694584 395846331 /nfs/dbraw/zinc/84/63/31/395846331.db2.gz QGSXSSRZNREAJE-QSFUFRPTSA-N 0 0 312.395 0.073 50 0 DCAARN O=C(NCCc1nc(O)cc(=O)[nH]1)[C@H]1CCc2ccccc2O1 ZINC000219870811 395847048 /nfs/dbraw/zinc/84/70/48/395847048.db2.gz KKNHLQYDFGBLNE-GFCCVEGCSA-N 0 0 315.329 0.940 50 0 DCAARN CC(C)Cc1cc(C(=O)NCc2cccnc2N)[nH]c(=O)n1 ZINC000220252841 395847648 /nfs/dbraw/zinc/84/76/48/395847648.db2.gz DCGGVJJBELAUOE-UHFFFAOYSA-N 0 0 301.350 0.876 50 0 DCAARN Cc1n[nH]c(C)c1CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC000220224957 395848049 /nfs/dbraw/zinc/84/80/49/395848049.db2.gz KTWNUEMHOICTDZ-JTQLQIEISA-N 0 0 302.400 0.013 50 0 DCAARN COCc1nc(CNC(=O)c2n[nH]c(=O)c3ccccc32)no1 ZINC000220455262 395848511 /nfs/dbraw/zinc/84/85/11/395848511.db2.gz HFNOEDCJYYGCGF-UHFFFAOYSA-N 0 0 315.289 0.383 50 0 DCAARN CC[C@@H](C(=O)N1CCN(Cc2nccn2C)CC1)n1cccn1 ZINC000221165013 395849782 /nfs/dbraw/zinc/84/97/82/395849782.db2.gz UEKPSTQLOYGLFW-AWEZNQCLSA-N 0 0 316.409 0.912 50 0 DCAARN COCCn1cnnc1CCNC(=O)c1c(C)cc(C)[nH]c1=O ZINC000221192175 395850143 /nfs/dbraw/zinc/85/01/43/395850143.db2.gz OQPIOFONDVVFSG-UHFFFAOYSA-N 0 0 319.365 0.202 50 0 DCAARN Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)c1cn[nH]n1 ZINC000222244653 395851948 /nfs/dbraw/zinc/85/19/48/395851948.db2.gz NUDXFXNMSDQYQS-OLZOCXBDSA-N 0 0 321.337 0.514 50 0 DCAARN C[C@H](NC(=O)C1=NNC(=O)CC1)c1nncn1C1CCCC1 ZINC000222237699 395851979 /nfs/dbraw/zinc/85/19/79/395851979.db2.gz GSTLZHNXNAZZAD-VIFPVBQESA-N 0 0 304.354 0.836 50 0 DCAARN Cn1cc([C@H](NC(=O)Cc2ccccn2)[C@H]2C[C@@H](O)C2)cn1 ZINC000222998129 395853370 /nfs/dbraw/zinc/85/33/70/395853370.db2.gz ONAROOPTLLNMHW-DJSGYFEHSA-N 0 0 300.362 0.986 50 0 DCAARN O=C(NCCCn1ccnn1)[C@@H](c1ccccc1)n1cnnn1 ZINC000223072456 395854472 /nfs/dbraw/zinc/85/44/72/395854472.db2.gz IWRUZWUTKKKNSY-CYBMUJFWSA-N 0 0 312.337 0.061 50 0 DCAARN Cc1nc(SCCNC(=O)COC[C@H]2CCCO2)n[nH]1 ZINC000223587070 395855495 /nfs/dbraw/zinc/85/54/95/395855495.db2.gz HPVMJBYYYOKDFD-SNVBAGLBSA-N 0 0 300.384 0.517 50 0 DCAARN CCc1nc(C)sc1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000223794281 395856519 /nfs/dbraw/zinc/85/65/19/395856519.db2.gz UCKPWGBSRNDCQS-UHFFFAOYSA-N 0 0 308.363 0.331 50 0 DCAARN CCN(C(=O)c1ccc(SCCO)cc1)[C@H]1COC[C@@H]1O ZINC000223754612 395856874 /nfs/dbraw/zinc/85/68/74/395856874.db2.gz IZHDCGYBEIVWNA-KBPBESRZSA-N 0 0 311.403 0.993 50 0 DCAARN CC(C)N(CC(N)=O)CC(=O)NCCc1c(F)cccc1F ZINC000051966670 395857430 /nfs/dbraw/zinc/85/74/30/395857430.db2.gz DLDBAORHMXGMFG-UHFFFAOYSA-N 0 0 313.348 0.819 50 0 DCAARN CC[C@H]1CCCCN1C(=O)CS(=O)(=O)c1nncn1C ZINC000047623027 395797503 /nfs/dbraw/zinc/79/75/03/395797503.db2.gz FQGWPQVXNLFIRL-JTQLQIEISA-N 0 0 300.384 0.380 50 0 DCAARN NC(=O)[C@@H]1CC(C(=O)N2CCSCC2)=NN1c1ccccc1 ZINC000053818568 395889668 /nfs/dbraw/zinc/88/96/68/395889668.db2.gz FURKPOGJTPQARA-ZDUSSCGKSA-N 0 0 318.402 0.682 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000053894061 395890786 /nfs/dbraw/zinc/89/07/86/395890786.db2.gz GIVLSITXVLGBBE-NWDGAFQWSA-N 0 0 303.366 0.027 50 0 DCAARN NS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CCCO2)cc1 ZINC000054025578 395892045 /nfs/dbraw/zinc/89/20/45/395892045.db2.gz PSRLQJUIGPCAMP-LLVKDONJSA-N 0 0 313.379 0.312 50 0 DCAARN O=C(CCCn1cncn1)N1CCN(c2cnccn2)CC1 ZINC000054151695 395894664 /nfs/dbraw/zinc/89/46/64/395894664.db2.gz QXUQMGHZWHRCNT-UHFFFAOYSA-N 0 0 301.354 0.197 50 0 DCAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCCO1 ZINC000125463590 395903041 /nfs/dbraw/zinc/90/30/41/395903041.db2.gz FYPJZBGGWCOHSS-UHFFFAOYSA-N 0 0 303.112 0.936 50 0 DCAARN CCOC(=O)CCNC(=O)N1CCC(Cc2nncn2C)CC1 ZINC000055120482 395912224 /nfs/dbraw/zinc/91/22/24/395912224.db2.gz JTJJSFNJQADELB-UHFFFAOYSA-N 0 0 323.397 0.732 50 0 DCAARN O=C(CCNC(=O)c1ccccc1F)NCCN1CCOCC1 ZINC000055282324 395915692 /nfs/dbraw/zinc/91/56/92/395915692.db2.gz GJPLJOQFBREQDN-UHFFFAOYSA-N 0 0 323.368 0.394 50 0 DCAARN COc1ccc(NC(=O)Cn2cnnn2)c(NC(=O)C(C)C)c1 ZINC000055368836 395917949 /nfs/dbraw/zinc/91/79/49/395917949.db2.gz AFDNWQCLXMTAGH-UHFFFAOYSA-N 0 0 318.337 0.915 50 0 DCAARN Cc1nonc1CN(C)C(=O)CCn1c(C)cc(C)nc1=O ZINC000055369290 395918090 /nfs/dbraw/zinc/91/80/90/395918090.db2.gz BPTJLTDKYYPBMT-UHFFFAOYSA-N 0 0 305.338 0.600 50 0 DCAARN CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1OC ZINC000055422016 395918866 /nfs/dbraw/zinc/91/88/66/395918866.db2.gz DFMKZWISLBUSOG-CYBMUJFWSA-N 0 0 306.362 0.949 50 0 DCAARN O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CC[C@H](Oc2ccccn2)C1 ZINC000238878249 395923167 /nfs/dbraw/zinc/92/31/67/395923167.db2.gz OPJIKCIFBZPUIE-VIFPVBQESA-N 0 0 302.290 0.576 50 0 DCAARN O=C(NCc1cccs1)NCc1nnc2c(=O)[nH]ccn12 ZINC000238921171 395923180 /nfs/dbraw/zinc/92/31/80/395923180.db2.gz TXGNZXNGFTWCHP-UHFFFAOYSA-N 0 0 304.335 0.891 50 0 DCAARN CC(C)Cc1cc(C(=O)N2CCC3(CC2)NC(=N)NC3=O)[nH]n1 ZINC000244884411 395926117 /nfs/dbraw/zinc/92/61/17/395926117.db2.gz YLXIUSMVBADIJL-UHFFFAOYSA-N 0 0 318.381 0.028 50 0 DCAARN CCn1nc(CO)c2c1CCN(CC(=O)NC[C@H]1CCCO1)C2 ZINC000244874457 395926165 /nfs/dbraw/zinc/92/61/65/395926165.db2.gz XBPAHZWXLZZYMH-GFCCVEGCSA-N 0 0 322.409 0.049 50 0 DCAARN Cc1noc(C)c1CCC(=O)N1CC[C@@H](N2C(=O)COC2=O)C1 ZINC000225701426 395862197 /nfs/dbraw/zinc/86/21/97/395862197.db2.gz JGRHUVWXXFNFHG-LLVKDONJSA-N 0 0 321.333 0.804 50 0 DCAARN NC(=O)[C@@H]1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)C1 ZINC000052392493 395862643 /nfs/dbraw/zinc/86/26/43/395862643.db2.gz WJVUPFQJCYPPIP-LLVKDONJSA-N 0 0 324.406 0.178 50 0 DCAARN FC(F)(F)CN1CC[C@H](CNc2ccc3nnnn3n2)C1 ZINC000052412868 395863227 /nfs/dbraw/zinc/86/32/27/395863227.db2.gz NWZKQSDPKLEAEW-MRVPVSSYSA-N 0 0 301.276 0.815 50 0 DCAARN CC(=O)NCC1CCN(Cc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000052828160 395870239 /nfs/dbraw/zinc/87/02/39/395870239.db2.gz JAQIXXAUBLEVJG-UHFFFAOYSA-N 0 0 318.381 0.417 50 0 DCAARN COc1ccc(C2=CCN(C(=O)CN(C)CC(N)=O)CC2)cc1 ZINC000052831813 395871482 /nfs/dbraw/zinc/87/14/82/395871482.db2.gz RCWPYUACQBQODP-UHFFFAOYSA-N 0 0 317.389 0.728 50 0 DCAARN Cc1cnn(C[C@H]2CN(C[C@@H](O)Cn3cccn3)CCO2)c1 ZINC000229534691 395874670 /nfs/dbraw/zinc/87/46/70/395874670.db2.gz FRVHUYVQAPHQCR-HUUCEWRRSA-N 0 0 305.382 0.150 50 0 DCAARN O[C@@H](CN1CCO[C@@H](Cn2cncn2)C1)c1ccc(F)cc1 ZINC000229498686 395874723 /nfs/dbraw/zinc/87/47/23/395874723.db2.gz UNETVDKQPLZTRC-CABCVRRESA-N 0 0 306.341 0.852 50 0 DCAARN COC[C@H](O)C[N@@H+]1CC[C@@H](N(C)Cc2nnc(C3CC3)n2C)C1 ZINC000229830283 395876855 /nfs/dbraw/zinc/87/68/55/395876855.db2.gz QGQQKOJFKBLVRD-ZIAGYGMSSA-N 0 0 323.441 0.206 50 0 DCAARN O=C(CCNc1ncccn1)NCc1cccnc1-n1cncn1 ZINC000053187842 395878256 /nfs/dbraw/zinc/87/82/56/395878256.db2.gz GLGIGLIXWWEAMJ-UHFFFAOYSA-N 0 0 324.348 0.571 50 0 DCAARN O=C(c1cnc2n(c1=O)CCS2)N1CCO[C@H]2CCC[C@H]21 ZINC000053379150 395881345 /nfs/dbraw/zinc/88/13/45/395881345.db2.gz GFLLEJBRMYQXGE-MNOVXSKESA-N 0 0 307.375 0.743 50 0 DCAARN O=C(N[C@@H]1CCCCNC1=O)c1ccc(N2CCOCC2)cc1 ZINC000058150158 395951424 /nfs/dbraw/zinc/95/14/24/395951424.db2.gz OKECYNISGAWFCV-OAHLLOKOSA-N 0 0 317.389 0.922 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)NCCCOC1CCCCC1 ZINC000061547202 395968906 /nfs/dbraw/zinc/96/89/06/395968906.db2.gz PHODXJZFMJCDSU-LBPRGKRZSA-N 0 0 311.382 0.830 50 0 DCAARN COc1ccnc(N2CCN(C(=O)[C@H](C)OCC3CC3)CC2)n1 ZINC000064736441 395989249 /nfs/dbraw/zinc/98/92/49/395989249.db2.gz ATLCEIBVLWHZFP-LBPRGKRZSA-N 0 0 320.393 0.949 50 0 DCAARN CC(C)CNC(=O)CNC(=O)N1CCN(c2ncccn2)CC1 ZINC000064630453 395989251 /nfs/dbraw/zinc/98/92/51/395989251.db2.gz MKFNJFAIDQSIRP-UHFFFAOYSA-N 0 0 320.397 0.080 50 0 DCAARN CCNc1ccnc(N2CCN(Cc3ncnn3CC)CC2)n1 ZINC000065385565 395993054 /nfs/dbraw/zinc/99/30/54/395993054.db2.gz QERZABJLOMRGRF-UHFFFAOYSA-N 0 0 316.413 0.842 50 0 DCAARN O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)C1=NNC(=O)CC1 ZINC000252522857 396022621 /nfs/dbraw/zinc/02/26/21/396022621.db2.gz BHXRVJZMTAPBHK-BHDSKKPTSA-N 0 0 302.334 0.276 50 0 DCAARN COc1nn(C)cc1C(=O)NCc1nc(-c2cc(C)on2)no1 ZINC000252540410 396022956 /nfs/dbraw/zinc/02/29/56/396022956.db2.gz PJNAVERKICNCMD-UHFFFAOYSA-N 0 0 318.293 0.705 50 0 DCAARN CC(C)S(=O)(=O)N1CC[C@@H](N[C@H]2C[C@@H](C)OC2=O)[C@H](C)C1 ZINC000252667892 396023819 /nfs/dbraw/zinc/02/38/19/396023819.db2.gz DNRFLUSWJPMOCL-LPWJVIDDSA-N 0 0 318.439 0.729 50 0 DCAARN COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C[NH3+] ZINC000253415960 396027978 /nfs/dbraw/zinc/02/79/78/396027978.db2.gz GGBVVEZHKHQVQN-SFYZADRCSA-N 0 0 319.408 0.335 50 0 DCAARN Cn1nnc(CNC(=O)N2CCC[C@H](Nc3ccccc3)C2)n1 ZINC000253431743 396028768 /nfs/dbraw/zinc/02/87/68/396028768.db2.gz IBGREVMHOQHTQB-ZDUSSCGKSA-N 0 0 315.381 0.996 50 0 DCAARN Cc1nnsc1C(=O)N1CCN(c2ccc(C)nn2)CC1 ZINC000067620757 396029490 /nfs/dbraw/zinc/02/94/90/396029490.db2.gz VTLNLCBEHGNQOL-UHFFFAOYSA-N 0 0 304.379 0.907 50 0 DCAARN CC(C)NC(=O)CN(C)CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000254381963 396031128 /nfs/dbraw/zinc/03/11/28/396031128.db2.gz XUOILENAGPXTRW-GFCCVEGCSA-N 0 0 321.425 0.671 50 0 DCAARN CC[C@@H](C(=O)N1CCC2(CC1)C(=O)NCCN2C)n1cccn1 ZINC000067674998 396031240 /nfs/dbraw/zinc/03/12/40/396031240.db2.gz XXQWQGQGHVPDLU-ZDUSSCGKSA-N 0 0 319.409 0.257 50 0 DCAARN CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)N=c1sccn1C ZINC000254855619 396032043 /nfs/dbraw/zinc/03/20/43/396032043.db2.gz UFFDOITUDDMWBK-BDAKNGLRSA-N 0 0 305.425 0.478 50 0 DCAARN CCOC(=O)C=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C ZINC000254853654 396032164 /nfs/dbraw/zinc/03/21/64/396032164.db2.gz HDAIBQSUSBEPBD-UHFFFAOYSA-N 0 0 319.382 0.628 50 0 DCAARN Cn1ccsc1=NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000254614615 396032272 /nfs/dbraw/zinc/03/22/72/396032272.db2.gz QFFMDCWGXPXIAQ-UWVGGRQHSA-N 0 0 307.375 0.689 50 0 DCAARN O=C(Cn1cnnn1)N1CCCn2ccnc2[C@@H]1c1ccccc1 ZINC000257174700 396034382 /nfs/dbraw/zinc/03/43/82/396034382.db2.gz JSOSPGNYCGHAPA-HNNXBMFYSA-N 0 0 323.360 0.892 50 0 DCAARN CCn1cncc1CNC(=O)c1cc(CN2CCOCC2)on1 ZINC000067946331 396039467 /nfs/dbraw/zinc/03/94/67/396039467.db2.gz AQDCPISNZHQWHJ-UHFFFAOYSA-N 0 0 319.365 0.653 50 0 DCAARN C[C@@H](Cc1cnccn1)NCC(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000067966605 396040772 /nfs/dbraw/zinc/04/07/72/396040772.db2.gz VDNYREIXEOVMJC-NSHDSACASA-N 0 0 310.361 0.934 50 0 DCAARN Cc1csc(N2CCN(CCCS(N)(=O)=O)CC2)n1 ZINC000068457900 396056447 /nfs/dbraw/zinc/05/64/47/396056447.db2.gz BWWNGQDWXGNZNX-UHFFFAOYSA-N 0 0 304.441 0.252 50 0 DCAARN CSC1(CNC(=O)N2CCC(CS(N)(=O)=O)CC2)CC1 ZINC000252490291 396020805 /nfs/dbraw/zinc/02/08/05/396020805.db2.gz KOAAHIUEUFVSIK-UHFFFAOYSA-N 0 0 321.468 0.592 50 0 DCAARN O=C(c1nc[nH]n1)N1CCN(C(=O)[C@H](O)C2CCCCC2)CC1 ZINC000252503719 396021554 /nfs/dbraw/zinc/02/15/54/396021554.db2.gz VGDITDYZKNUZDW-GFCCVEGCSA-N 0 0 321.381 0.030 50 0 DCAARN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCC(C(N)=O)CC1 ZINC000252497880 396021621 /nfs/dbraw/zinc/02/16/21/396021621.db2.gz GCRYULPLFQDWGI-NSHDSACASA-N 0 0 319.409 0.412 50 0 DCAARN CCN(C)C(=O)[C@@H](C)NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000252507637 396021716 /nfs/dbraw/zinc/02/17/16/396021716.db2.gz WQIRMSPXVHQAOL-LLVKDONJSA-N 0 0 306.362 0.983 50 0 DCAARN C[C@@H](O)CN1CCN(CC(=O)NCCCc2ccccc2)CC1 ZINC000069652516 396085976 /nfs/dbraw/zinc/08/59/76/396085976.db2.gz LZAWBBCBCJLGCZ-MRXNPFEDSA-N 0 0 319.449 0.734 50 0 DCAARN Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)N2CCOCC2)cn1 ZINC000169761954 396090715 /nfs/dbraw/zinc/09/07/15/396090715.db2.gz IPJBNZISWDRUEW-QWHCGFSZSA-N 0 0 318.377 0.542 50 0 DCAARN Cc1cc(NC(=O)CCN2CCO[C@@H](Cn3cncn3)C2)no1 ZINC000069810837 396091030 /nfs/dbraw/zinc/09/10/30/396091030.db2.gz JQMAEWPNKQAHRR-GFCCVEGCSA-N 0 0 320.353 0.304 50 0 DCAARN O[C@@H](COc1ccccc1)CN1CCO[C@H](Cn2cncn2)C1 ZINC000069810407 396091140 /nfs/dbraw/zinc/09/11/40/396091140.db2.gz FFPHVRICEYFSCC-ZBFHGGJFSA-N 0 0 318.377 0.419 50 0 DCAARN Cn1c(=O)[nH]nc1SCCn1cc(Br)cn1 ZINC000069870485 396092995 /nfs/dbraw/zinc/09/29/95/396092995.db2.gz FXGWNOSCWDMJFC-UHFFFAOYSA-N 0 0 304.173 0.860 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)c2cc(Br)c[nH]2)CC1 ZINC000069873281 396093225 /nfs/dbraw/zinc/09/32/25/396093225.db2.gz HNJWZBFERZPGBU-SECBINFHSA-N 0 0 316.199 0.916 50 0 DCAARN C[C@H]1CN(C(=O)c2cc(Br)c[nH]2)CCN1CCO ZINC000170085784 396094248 /nfs/dbraw/zinc/09/42/48/396094248.db2.gz SCQFQGSXIBIZQR-VIFPVBQESA-N 0 0 316.199 0.916 50 0 DCAARN CCOC(=O)[C@@](C)(CNC(=O)Cn1ccnn1)c1ccccc1 ZINC000170605713 396095250 /nfs/dbraw/zinc/09/52/50/396095250.db2.gz SFHJRDBMHFRFDW-INIZCTEOSA-N 0 0 316.361 0.915 50 0 DCAARN CCN(CC)S(=O)(=O)CCNS(=O)(=O)c1ccco1 ZINC000170602868 396095401 /nfs/dbraw/zinc/09/54/01/396095401.db2.gz HQSXUCSICFUZFH-UHFFFAOYSA-N 0 0 310.397 0.230 50 0 DCAARN Cc1cnc(N2CC[C@](O)(C(N)=O)C2)c(Br)c1 ZINC000170619330 396096137 /nfs/dbraw/zinc/09/61/37/396096137.db2.gz VRVCRPRHQSJWBR-LLVKDONJSA-N 0 0 300.156 0.579 50 0 DCAARN O=C(CN1CCN(CCO)CC1)NC1(c2ccccc2)CCC1 ZINC000069951082 396096531 /nfs/dbraw/zinc/09/65/31/396096531.db2.gz CPWMWQLGYFOWGK-UHFFFAOYSA-N 0 0 317.433 0.792 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)COc2ccccc2OC)CC1 ZINC000069951556 396096613 /nfs/dbraw/zinc/09/66/13/396096613.db2.gz LTYWNHWAWQEWJQ-CQSZACIVSA-N 0 0 322.405 0.989 50 0 DCAARN O=C(NCc1cccnc1)N1CCN(C[C@@H]2COCCO2)CC1 ZINC000069971738 396097390 /nfs/dbraw/zinc/09/73/90/396097390.db2.gz LRJMTKUKLAQXGQ-OAHLLOKOSA-N 0 0 320.393 0.324 50 0 DCAARN CC(C)Cc1noc(CN2CCO[C@@H](Cn3cncn3)C2)n1 ZINC000070015994 396098331 /nfs/dbraw/zinc/09/83/31/396098331.db2.gz FARCXOHOLXNGSA-GFCCVEGCSA-N 0 0 306.370 0.761 50 0 DCAARN COCC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000070891913 396105926 /nfs/dbraw/zinc/10/59/26/396105926.db2.gz NRWCKKAOZZSUKE-OAHLLOKOSA-N 0 0 305.334 0.607 50 0 DCAARN COC(=O)[C@H](C)N1CCN(C(=O)Cc2c(C)noc2C)CC1 ZINC000071186163 396110783 /nfs/dbraw/zinc/11/07/83/396110783.db2.gz GTFDMKWXNXTIBS-NSHDSACASA-N 0 0 309.366 0.540 50 0 DCAARN Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)nc(N2CCOCC2)n1 ZINC000071195520 396111089 /nfs/dbraw/zinc/11/10/89/396111089.db2.gz YVQBIOMJHGVNQK-CHWSQXEVSA-N 0 0 320.393 0.871 50 0 DCAARN O=C(Cn1nc2c(cc1=O)CCCCC2)NC[C@H]1CCCO1 ZINC000071282830 396112099 /nfs/dbraw/zinc/11/20/99/396112099.db2.gz GIZBJIDWCVHCJK-CYBMUJFWSA-N 0 0 305.378 0.807 50 0 DCAARN COC(=O)[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(C)C ZINC000071335309 396112819 /nfs/dbraw/zinc/11/28/19/396112819.db2.gz ZUBSRZJOKURYSR-CQSZACIVSA-N 0 0 317.345 0.779 50 0 DCAARN CC[C@@H](NC(=O)Cc1c[nH]c(=O)n(C)c1=O)c1cc(C)ccn1 ZINC000071762318 396114562 /nfs/dbraw/zinc/11/45/62/396114562.db2.gz QHRBRHSDFDXKOO-GFCCVEGCSA-N 0 0 316.361 0.587 50 0 DCAARN COc1cccc(C[C@@H]2CN(C(=O)CNC(N)=O)CCO2)c1 ZINC000071774983 396114607 /nfs/dbraw/zinc/11/46/07/396114607.db2.gz VYIFLHMFWCTFNM-CYBMUJFWSA-N 0 0 307.350 0.133 50 0 DCAARN O=C(Cn1nc2ccccn2c1=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000071805058 396115483 /nfs/dbraw/zinc/11/54/83/396115483.db2.gz YJUBXNVKFSIZFM-QWHCGFSZSA-N 0 0 316.361 0.666 50 0 DCAARN C[C@@H]1CN(C[C@H](O)Cn2cnc3ccsc3c2=O)C[C@@H](C)O1 ZINC000071825061 396117100 /nfs/dbraw/zinc/11/71/00/396117100.db2.gz RTQCWLXAUMMDSV-UTUOFQBUSA-N 0 0 323.418 0.928 50 0 DCAARN CCO[C@@H]1CCCN(C(=O)CN(C)c2ncnc3nc[nH]c32)C1 ZINC000071827141 396117199 /nfs/dbraw/zinc/11/71/99/396117199.db2.gz RMSZUJBMTSRBBP-LLVKDONJSA-N 0 0 318.381 0.817 50 0 DCAARN O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCNC(=O)CC1 ZINC000071839598 396117722 /nfs/dbraw/zinc/11/77/22/396117722.db2.gz RILAIJQQQNXZIZ-GFCCVEGCSA-N 0 0 303.366 0.042 50 0 DCAARN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1nnnn1C1CC1 ZINC000071880453 396122590 /nfs/dbraw/zinc/12/25/90/396122590.db2.gz KADXUSLSNZCQPB-ZIAGYGMSSA-N 0 0 304.398 0.983 50 0 DCAARN C[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000071883531 396123552 /nfs/dbraw/zinc/12/35/52/396123552.db2.gz VXRLGLDBQHRKSI-PSASIEDQSA-N 0 0 312.320 0.717 50 0 DCAARN CN(C)C(=O)Cn1ccc2cc(NC(=O)NCCO)ccc21 ZINC000071883751 396123629 /nfs/dbraw/zinc/12/36/29/396123629.db2.gz CJBSKKKPABNHDY-UHFFFAOYSA-N 0 0 304.350 0.843 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)NCc1ccccc1F ZINC000071892892 396123751 /nfs/dbraw/zinc/12/37/51/396123751.db2.gz OOAJSSZEDQNFIX-YPMHNXCESA-N 0 0 310.325 0.050 50 0 DCAARN NC(=O)[C@@H]1c2ccccc2CCN1CC(=O)Nc1nncs1 ZINC000071900563 396124567 /nfs/dbraw/zinc/12/45/67/396124567.db2.gz XHMDEFGTMQDOBG-LBPRGKRZSA-N 0 0 317.374 0.561 50 0 DCAARN COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)N[C@H](C)CO ZINC000071920375 396125392 /nfs/dbraw/zinc/12/53/92/396125392.db2.gz YDGQSQVRSASNHG-ZCFIWIBFSA-N 0 0 314.363 0.587 50 0 DCAARN CCNc1cc2c(nn1)CCN(C(=O)CN1CSCC1=O)C2 ZINC000072279542 396129081 /nfs/dbraw/zinc/12/90/81/396129081.db2.gz FKDPNIXOAQEOBY-UHFFFAOYSA-N 0 0 321.406 0.326 50 0 DCAARN Cc1nc([C@H]2CCCN2C(=O)Cn2nc(C)ccc2=O)no1 ZINC000072299025 396130786 /nfs/dbraw/zinc/13/07/86/396130786.db2.gz IIPFALPRXHWJIL-LLVKDONJSA-N 0 0 303.322 0.607 50 0 DCAARN COCCN1CCN(C(=O)c2cc(O)ccc2Cl)CC1=O ZINC000278559983 396132015 /nfs/dbraw/zinc/13/20/15/396132015.db2.gz AGAXBIUQTDJFIJ-UHFFFAOYSA-N 0 0 312.753 0.976 50 0 DCAARN CCc1onc(C)c1C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000262407019 396136853 /nfs/dbraw/zinc/13/68/53/396136853.db2.gz QGASWVQJVOCAER-GFCCVEGCSA-N 0 0 320.393 0.582 50 0 DCAARN O=C(CN1CCC(N2CCNC2=O)CC1)NC1CCCCC1 ZINC000069382648 396076686 /nfs/dbraw/zinc/07/66/86/396076686.db2.gz AMVYMPQVTZXYRO-UHFFFAOYSA-N 0 0 308.426 0.925 50 0 DCAARN O=C(c1cc[nH]n1)N1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000069437665 396078703 /nfs/dbraw/zinc/07/87/03/396078703.db2.gz XHJWJZGHRZMZSK-UHFFFAOYSA-N 0 0 324.344 0.884 50 0 DCAARN C[C@@H]1CN(Cc2nnnn2C2CC2)CCN1Cc1nccn1C ZINC000069444232 396078845 /nfs/dbraw/zinc/07/88/45/396078845.db2.gz ONSGNELVTQOVES-GFCCVEGCSA-N 0 0 316.413 0.448 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000069455635 396079436 /nfs/dbraw/zinc/07/94/36/396079436.db2.gz CMNTUJMJBRZLAG-RYUDHWBXSA-N 0 0 312.414 0.016 50 0 DCAARN Cn1ncc2c1nc(NCCNC(=O)C1CCCCC1)[nH]c2=O ZINC000069562684 396082701 /nfs/dbraw/zinc/08/27/01/396082701.db2.gz WVCFRUBJRFYLNP-UHFFFAOYSA-N 0 0 318.381 0.765 50 0 DCAARN C[C@@H](C(=O)NC(N)=O)N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000069615897 396084454 /nfs/dbraw/zinc/08/44/54/396084454.db2.gz GYHSTQQDJORDOO-LBPRGKRZSA-N 0 0 324.425 0.684 50 0 DCAARN CCCC(=O)N1CCCC[C@H]1C(=O)N(C)C[C@H](O)COC ZINC000075092810 396176016 /nfs/dbraw/zinc/17/60/16/396176016.db2.gz HUUIXYFWJLQHSS-STQMWFEESA-N 0 0 300.399 0.633 50 0 DCAARN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000075284479 396178799 /nfs/dbraw/zinc/17/87/99/396178799.db2.gz FLWRHRSHVXBOMG-SMDDNHRTSA-N 0 0 322.386 0.940 50 0 DCAARN CC(C)S(=O)(=O)[C@H](C)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000075583596 396181565 /nfs/dbraw/zinc/18/15/65/396181565.db2.gz BZAKTUKRWBOISQ-NEPJUHHUSA-N 0 0 314.411 0.653 50 0 DCAARN CC(=O)N[C@](C)(C(=O)N1CCC[C@H](n2cncn2)C1)C1CC1 ZINC000075602637 396181658 /nfs/dbraw/zinc/18/16/58/396181658.db2.gz IOIZXWCOVOPRKS-ZFWWWQNUSA-N 0 0 305.382 0.746 50 0 DCAARN CC(C)S(=O)(=O)CC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000075602567 396181896 /nfs/dbraw/zinc/18/18/96/396181896.db2.gz FAHQTKOWTBFLTF-NSHDSACASA-N 0 0 300.384 0.265 50 0 DCAARN CCCc1nnc([C@H]2CN(CCS(=O)(=O)CC)CCO2)[nH]1 ZINC000076049185 396193826 /nfs/dbraw/zinc/19/38/26/396193826.db2.gz HNBPEBWRHUYGIF-LLVKDONJSA-N 0 0 316.427 0.565 50 0 DCAARN CN1C[C@@H](Nc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CCC1=O ZINC000077992766 396237873 /nfs/dbraw/zinc/23/78/73/396237873.db2.gz LFVVLDDTJSJQQM-VIFPVBQESA-N 0 0 318.381 0.907 50 0 DCAARN Cc1cnc(CN2CCc3ccc(S(N)(=O)=O)cc32)cn1 ZINC000078950045 396258752 /nfs/dbraw/zinc/25/87/52/396258752.db2.gz YXFNBSKOSRBQFU-UHFFFAOYSA-N 0 0 304.375 0.995 50 0 DCAARN Cc1cc(N[C@@H](CC(C)C)C(=O)NCCO)n2ncnc2n1 ZINC000079099265 396260744 /nfs/dbraw/zinc/26/07/44/396260744.db2.gz AJHHUDNZHWZUOF-NSHDSACASA-N 0 0 306.370 0.368 50 0 DCAARN COc1ccccc1CNC(=O)CN1CCOC[C@@H](CO)C1 ZINC000077321456 396218564 /nfs/dbraw/zinc/21/85/64/396218564.db2.gz UZBWVEQNSZMFBX-CYBMUJFWSA-N 0 0 308.378 0.252 50 0 DCAARN CCn1ccnc1CN1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000083843616 396317097 /nfs/dbraw/zinc/31/70/97/396317097.db2.gz WYRPDWWNULZJNK-OAHLLOKOSA-N 0 0 305.382 0.808 50 0 DCAARN CCc1nsc(NCCC(=O)N2CCN(C(C)=O)CC2)n1 ZINC000080788510 396286932 /nfs/dbraw/zinc/28/69/32/396286932.db2.gz MILBXQFBKABACI-UHFFFAOYSA-N 0 0 311.411 0.593 50 0 DCAARN CN(C)C(=O)N1CCn2nc(CNC(=O)c3ccoc3)cc2C1 ZINC000082087620 396310757 /nfs/dbraw/zinc/31/07/57/396310757.db2.gz LPGAVASMEZORRG-UHFFFAOYSA-N 0 0 317.349 0.903 50 0 DCAARN CC(C)n1cnc(S(=O)(=O)N2CCN(CCCO)CC2)c1 ZINC000186234785 396345319 /nfs/dbraw/zinc/34/53/19/396345319.db2.gz MEMYQLCHVMFFAE-UHFFFAOYSA-N 0 0 316.427 0.153 50 0 DCAARN Cn1cc(C(=O)N2CCOc3cc(O)ccc3C2)c(=O)[nH]c1=O ZINC000286214050 396381744 /nfs/dbraw/zinc/38/17/44/396381744.db2.gz NEDRBMFYWUFHTH-UHFFFAOYSA-N 0 0 317.301 0.226 50 0 DCAARN CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)O ZINC000191898042 396426482 /nfs/dbraw/zinc/42/64/82/396426482.db2.gz YVKKJQYCNRIMIR-QGZVFWFLSA-N 0 0 306.406 0.853 50 0 DCAARN CCS(=O)(=O)CCN(C)C(=O)N[C@@H](C)Cn1cccn1 ZINC000270252852 396463514 /nfs/dbraw/zinc/46/35/14/396463514.db2.gz GLRXYCDKWZWKFB-NSHDSACASA-N 0 0 302.400 0.348 50 0 DCAARN COCC1CCN(C(=O)[C@@H]2CSC(C)(C)C(=O)N2)CC1 ZINC000584885459 396631989 /nfs/dbraw/zinc/63/19/89/396631989.db2.gz TUOWZNIEHPSVHK-NSHDSACASA-N 0 0 300.424 0.882 50 0 DCAARN O=C(Cn1ccccc1=O)N1CCC(Cn2ccnc2)CC1 ZINC000584889296 396633137 /nfs/dbraw/zinc/63/31/37/396633137.db2.gz QDVOYTGJBVBTBG-UHFFFAOYSA-N 0 0 300.362 0.984 50 0 DCAARN COc1ccc2ncn(C[C@H]3CN(C)CCN3C)c(=O)c2c1 ZINC000584898828 396635851 /nfs/dbraw/zinc/63/58/51/396635851.db2.gz FVDRYUBRBKRSLZ-GFCCVEGCSA-N 0 0 302.378 0.651 50 0 DCAARN CCCN1C(=O)N[C@@H](CC(=O)N(C)CC2(CO)CCC2)C1=O ZINC000584900187 396636600 /nfs/dbraw/zinc/63/66/00/396636600.db2.gz HLKOSNBEOYVVTB-NSHDSACASA-N 0 0 311.382 0.328 50 0 DCAARN CCn1cnnc1CN(C)C(=O)Cn1c(C)cc(C)nc1=O ZINC000584901420 396637319 /nfs/dbraw/zinc/63/73/19/396637319.db2.gz IWYZRKNIWZJCOV-UHFFFAOYSA-N 0 0 304.354 0.130 50 0 DCAARN C[C@@H]1NC(=O)N(CCS(=O)(=O)c2cc(F)ccc2F)C1=O ZINC000585136742 396641323 /nfs/dbraw/zinc/64/13/23/396641323.db2.gz RBZMZKVTOCCTIC-ZETCQYMHSA-N 0 0 318.301 0.679 50 0 DCAARN CN1CCCN(C(=O)CN2CCCCCCC2=O)S1(=O)=O ZINC000585135879 396641541 /nfs/dbraw/zinc/64/15/41/396641541.db2.gz HHBJUPZDRLYGQH-UHFFFAOYSA-N 0 0 317.411 0.188 50 0 DCAARN CCNS(=O)(=O)[C@H]1CCN(C[C@@](C)(O)C(F)(F)F)C1 ZINC000375622952 396782369 /nfs/dbraw/zinc/78/23/69/396782369.db2.gz DGCXYBYQLXWQGX-DTWKUNHWSA-N 0 0 304.334 0.313 50 0 DCAARN CCc1ncnc(O[C@@H]2CCN(C(=O)CNC(C)=O)C2)c1F ZINC000390829528 397302982 /nfs/dbraw/zinc/30/29/82/397302982.db2.gz ZPMIUTOREQNOJB-SNVBAGLBSA-N 0 0 310.329 0.294 50 0 DCAARN COCCOCCN1CCN(C(=O)[C@H](C)CSC)CC1 ZINC000593887382 397468821 /nfs/dbraw/zinc/46/88/21/397468821.db2.gz RXFQERYYHQMDRN-CYBMUJFWSA-N 0 0 304.456 0.793 50 0 DCAARN CCOC(=O)Cc1cn(CC(=O)NCc2cccnc2)nn1 ZINC000603220607 397585402 /nfs/dbraw/zinc/58/54/02/397585402.db2.gz WAFZABNNXTVMJC-UHFFFAOYSA-N 0 0 303.322 0.095 50 0 DCAARN CO[C@]12CCN(C(=O)c3cc4ncccn4n3)[C@H]1C[C@@H](O)CC2 ZINC000299767396 286174794 /nfs/dbraw/zinc/17/47/94/286174794.db2.gz GKULNPAVDFCTRX-DETPVDSQSA-N 0 0 316.361 0.874 50 0 DCAARN CC(C)n1nnnc1CN1CCN(CC(F)(F)F)C(=O)C1 ZINC000329173387 159070762 /nfs/dbraw/zinc/07/07/62/159070762.db2.gz LKVGEFMVFRPTIM-UHFFFAOYSA-N 0 0 306.292 0.461 50 0 DCAARN Cc1nnc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)s1 ZINC000329800582 159119924 /nfs/dbraw/zinc/11/99/24/159119924.db2.gz YJIDBCPSSWUHOG-UHFFFAOYSA-N 0 0 320.422 0.928 50 0 DCAARN NC(=O)C1(NC(=O)c2cccc([C@@H]3CCOC3)c2)CCOCC1 ZINC000372839459 159646823 /nfs/dbraw/zinc/64/68/23/159646823.db2.gz RPPVMAYGLMQUPF-CQSZACIVSA-N 0 0 318.373 0.955 50 0 DCAARN Nc1ncc(Cl)cc1S(=O)(=O)N1CCN(C2CC2)CC1 ZINC000152478322 287041747 /nfs/dbraw/zinc/04/17/47/287041747.db2.gz NTFAHZLRCZSANY-UHFFFAOYSA-N 0 0 316.814 0.786 50 0 DCAARN Cc1ccnc(N2CCC(N3CCS(=O)(=O)CC3)CC2)n1 ZINC000134084222 196360010 /nfs/dbraw/zinc/36/00/10/196360010.db2.gz SQNIPXSSAWUNIQ-UHFFFAOYSA-N 0 0 310.423 0.484 50 0 DCAARN Cc1cc(COC(=O)Cn2cnc3c(cnn3C)c2=O)on1 ZINC000021598335 415152527 /nfs/dbraw/zinc/15/25/27/415152527.db2.gz FHCLWSLCCQIKSH-UHFFFAOYSA-N 0 0 303.278 0.170 50 0 DCAARN CNC(=O)c1ccc(CNC(=O)NCCN2CCOCC2)cc1 ZINC000026182295 415164485 /nfs/dbraw/zinc/16/44/85/415164485.db2.gz CRDLGIXIMLUOHY-UHFFFAOYSA-N 0 0 320.393 0.178 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)NCCc2ccccn2)n(C)c1 ZINC000025322998 415162579 /nfs/dbraw/zinc/16/25/79/415162579.db2.gz AMVMKYLLRAIJKM-UHFFFAOYSA-N 0 0 322.390 0.301 50 0 DCAARN C[C@H]1C(c2ccccc2)N=Nc2nc3c(c(=O)n(C)c(=O)n3C)n21 ZINC000004593608 415130524 /nfs/dbraw/zinc/13/05/24/415130524.db2.gz QMVJGTYTBDLXJP-VIFPVBQESA-N 0 0 324.344 0.478 50 0 DCAARN CC(=O)Nc1ccc(-n2cc3c(c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000005485693 415134756 /nfs/dbraw/zinc/13/47/56/415134756.db2.gz QXPLHVCHTWSFKS-UHFFFAOYSA-N 0 0 312.329 0.986 50 0 DCAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CCC(N)=O)C1=O ZINC000007206609 415137577 /nfs/dbraw/zinc/13/75/77/415137577.db2.gz WUJYABNTVHVYOB-INIZCTEOSA-N 0 0 301.346 0.818 50 0 DCAARN Cc1ccnc2nc(C(=O)Nc3ccc(-n4cnnn4)cc3)nn21 ZINC000007265604 415138192 /nfs/dbraw/zinc/13/81/92/415138192.db2.gz FTYMKUJBTBLBLC-UHFFFAOYSA-N 0 0 321.304 0.661 50 0 DCAARN O=C(CCNC(=O)N1CC(=O)Nc2ccccc21)NC1CC1 ZINC000008739941 415144410 /nfs/dbraw/zinc/14/44/10/415144410.db2.gz MGQXASWWKINGRH-UHFFFAOYSA-N 0 0 302.334 0.823 50 0 DCAARN CN(CCn1nc2ccccn2c1=O)CC(=O)NC(C)(C)C ZINC000026907303 415168379 /nfs/dbraw/zinc/16/83/79/415168379.db2.gz XNCUZPMKWULPTL-UHFFFAOYSA-N 0 0 305.382 0.343 50 0 DCAARN CCNC(=O)c1cccc(CNC(=O)c2ccc(=O)[nH]n2)c1 ZINC000040536113 415197558 /nfs/dbraw/zinc/19/75/58/415197558.db2.gz CKQSPLPKWXFVLS-UHFFFAOYSA-N 0 0 300.318 0.450 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1n[nH]c(=O)c2ccccc21 ZINC000044907916 415232438 /nfs/dbraw/zinc/23/24/38/415232438.db2.gz USORVKZCJQHBAH-SECBINFHSA-N 0 0 321.358 0.088 50 0 DCAARN Cc1cc(C)n2ncc(C(=O)N[C@@H](C)CN3CCOCC3)c2n1 ZINC000044943360 415234714 /nfs/dbraw/zinc/23/47/14/415234714.db2.gz IEPURQHGQHKRAN-LBPRGKRZSA-N 0 0 317.393 0.797 50 0 DCAARN CC[C@@H](CO)NC(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000044946614 415235291 /nfs/dbraw/zinc/23/52/91/415235291.db2.gz JJPMOYQIHKVNBD-AWEZNQCLSA-N 0 0 303.366 0.897 50 0 DCAARN CCn1cnnc1CNC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000044943783 415236819 /nfs/dbraw/zinc/23/68/19/415236819.db2.gz GCQQQBSYWZOFSS-UHFFFAOYSA-N 0 0 314.349 0.758 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)N(C[C@H]1CCOC1)C1CC1 ZINC000044968219 415238515 /nfs/dbraw/zinc/23/85/15/415238515.db2.gz GEQFVISXVBXTQG-NWDGAFQWSA-N 0 0 316.423 0.632 50 0 DCAARN CCN(CC)c1ccc(CNC(=O)[C@@H](C)S(C)(=O)=O)cn1 ZINC000044952577 415239788 /nfs/dbraw/zinc/23/97/88/415239788.db2.gz HLHINTFMGMKELN-LLVKDONJSA-N 0 0 313.423 0.977 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)N(Cc1ccccn1)C1CC1 ZINC000044966277 415240714 /nfs/dbraw/zinc/24/07/14/415240714.db2.gz KBLGGOPOKMVYGQ-GFCCVEGCSA-N 0 0 309.391 0.943 50 0 DCAARN O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1ccccn1 ZINC000045536682 415247708 /nfs/dbraw/zinc/24/77/08/415247708.db2.gz BHWYUCRGXJFAEW-UONOGXRCSA-N 0 0 320.393 0.940 50 0 DCAARN CN(CC(=O)N1CCN(Cc2ccco2)CC1)c1cnccn1 ZINC000048112003 415282010 /nfs/dbraw/zinc/28/20/10/415282010.db2.gz ZYZNXTQRUIQARL-UHFFFAOYSA-N 0 0 315.377 0.850 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000044720044 415225697 /nfs/dbraw/zinc/22/56/97/415225697.db2.gz MMLOLNFNPPOTTG-VIFPVBQESA-N 0 0 324.358 0.182 50 0 DCAARN CN(Cc1ccco1)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000044892952 415228727 /nfs/dbraw/zinc/22/87/27/415228727.db2.gz BGYOQMNWBNNLJJ-VOTSOKGWSA-N 0 0 303.318 0.349 50 0 DCAARN NC(=O)[C@H]1CCCCN1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000044871306 415229324 /nfs/dbraw/zinc/22/93/24/415229324.db2.gz LOMBLRFGKPDYKQ-OAHLLOKOSA-N 0 0 314.389 0.963 50 0 DCAARN CCCn1nnnc1CN1CCN(C(=O)N2CCCCC2)CC1 ZINC000044895653 415232148 /nfs/dbraw/zinc/23/21/48/415232148.db2.gz IQTXSLAEYNKFSE-UHFFFAOYSA-N 0 0 321.429 0.807 50 0 DCAARN CCCN(CCC)S(=O)(=O)N1CCC(CC(N)=O)CC1 ZINC000048670966 415296815 /nfs/dbraw/zinc/29/68/15/415296815.db2.gz WHCPIFMTIXCFHX-UHFFFAOYSA-N 0 0 305.444 0.941 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)CCNCC(F)(F)F)CC1 ZINC000070003977 415406932 /nfs/dbraw/zinc/40/69/32/415406932.db2.gz DTCGZFJCOBJXCC-NSHDSACASA-N 0 0 311.348 0.444 50 0 DCAARN O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](n2cncn2)C1 ZINC000072234812 415410063 /nfs/dbraw/zinc/41/00/63/415410063.db2.gz SXQMOJCTXXRBHE-YPMHNXCESA-N 0 0 303.366 0.453 50 0 DCAARN COC(=O)[C@@H](C)NC(=O)Cn1nc(-c2cccs2)ccc1=O ZINC000071328833 415411018 /nfs/dbraw/zinc/41/10/18/415411018.db2.gz XHZKJGQLXUBBIN-SECBINFHSA-N 0 0 321.358 0.650 50 0 DCAARN Cc1nc(C)n(CCCNC(=O)[C@@H]2NCCc3nc[nH]c32)n1 ZINC000072454760 415414851 /nfs/dbraw/zinc/41/48/51/415414851.db2.gz VJUGDJAJRJFYLA-CYBMUJFWSA-N 0 0 303.370 0.011 50 0 DCAARN O=c1c2cnc3nc(-c4cccnc4)nn3c2ccn1CCCO ZINC000067640849 415378984 /nfs/dbraw/zinc/37/89/84/415378984.db2.gz LNNXXNUVGKECAI-UHFFFAOYSA-N 0 0 322.328 0.884 50 0 DCAARN C[C@H](C(=O)NCCS(=O)(=O)N(C)C)n1cnc2ccccc21 ZINC000067605365 415381213 /nfs/dbraw/zinc/38/12/13/415381213.db2.gz BDMGFVTZYSSKLO-LLVKDONJSA-N 0 0 324.406 0.605 50 0 DCAARN COC(=O)c1ccc2c(c1)nc(N1CCC(O)(CO)CC1)n2C ZINC000067833499 415384640 /nfs/dbraw/zinc/38/46/40/415384640.db2.gz YPBWFYXMHLQLLF-UHFFFAOYSA-N 0 0 319.361 0.684 50 0 DCAARN Cc1ccc(NC(=O)CN2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1C ZINC000084180625 415491602 /nfs/dbraw/zinc/49/16/02/415491602.db2.gz SHUBYNXPEAVHMB-TZMCWYRMSA-N 0 0 305.378 0.817 50 0 DCAARN Cc1cc([C@@H]2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)[nH]n1 ZINC000084110505 415492667 /nfs/dbraw/zinc/49/26/67/415492667.db2.gz OLITVUIDZFWDHN-LLVKDONJSA-N 0 0 314.411 0.316 50 0 DCAARN CC[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1N1CCOCC1 ZINC000084735849 415500561 /nfs/dbraw/zinc/50/05/61/415500561.db2.gz PHRFGOHVRPEDBY-ZIAGYGMSSA-N 0 0 307.398 0.237 50 0 DCAARN O=C(C[C@@H]1C=CCC1)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000075141568 415437407 /nfs/dbraw/zinc/43/74/07/415437407.db2.gz FZKYQEIAQRWSLR-HUUCEWRRSA-N 0 0 321.421 0.392 50 0 DCAARN C[C@@](O)(CNC(=O)c1cnccn1)c1ccc2c(c1)OCO2 ZINC000075155412 415439546 /nfs/dbraw/zinc/43/95/46/415439546.db2.gz DQGFQGOMYUSSHA-OAHLLOKOSA-N 0 0 301.302 0.843 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)c2cnc3n[nH]c(C)c3c2)CC1 ZINC000075133740 415439761 /nfs/dbraw/zinc/43/97/61/415439761.db2.gz GLQRVEOVDSJZPJ-CYBMUJFWSA-N 0 0 317.393 0.795 50 0 DCAARN CS(=O)(=O)CCC(=O)NCc1nccn1Cc1ccccc1 ZINC000075179511 415442351 /nfs/dbraw/zinc/44/23/51/415442351.db2.gz GPCILSNALCJSGR-UHFFFAOYSA-N 0 0 321.402 0.982 50 0 DCAARN Cc1nccn1-c1ccc(=O)n(CCNC(=O)c2ccccn2)n1 ZINC000075163029 415442448 /nfs/dbraw/zinc/44/24/48/415442448.db2.gz JDTRPDVQQDNBFT-UHFFFAOYSA-N 0 0 324.344 0.562 50 0 DCAARN COc1ccc(COCC(=O)N2CCN(CCO)CC2)cc1 ZINC000075572613 415444900 /nfs/dbraw/zinc/44/49/00/415444900.db2.gz MYPAMMSNVWMAON-UHFFFAOYSA-N 0 0 308.378 0.348 50 0 DCAARN CCn1ccnc1[C@H]1CCCCN1CCN1C(=O)CNC1=O ZINC000280939438 415551458 /nfs/dbraw/zinc/55/14/58/415551458.db2.gz HSGBSIDZJLHIJS-GFCCVEGCSA-N 0 0 305.382 0.982 50 0 DCAARN Cn1ncnc1CCNC(=O)c1cnc(-c2cccnc2)nc1 ZINC000095359479 415553645 /nfs/dbraw/zinc/55/36/45/415553645.db2.gz HBBODURORVRMSJ-UHFFFAOYSA-N 0 0 309.333 0.640 50 0 DCAARN CCN1C[C@H](C(=O)NCCCc2nnc3ccccn32)CC1=O ZINC000095360059 415554414 /nfs/dbraw/zinc/55/44/14/415554414.db2.gz QZWJFXLBVMWLAX-GFCCVEGCSA-N 0 0 315.377 0.647 50 0 DCAARN Cn1cc(C[NH+]2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)cn1 ZINC000095385495 415556616 /nfs/dbraw/zinc/55/66/16/415556616.db2.gz FCYFGTYIVOMOFZ-LBPRGKRZSA-N 0 0 306.366 0.318 50 0 DCAARN CCO[C@H]1C[C@H](N2CCN(C(=O)C(=O)NC3CC3)CC2)C1(C)C ZINC000095457045 415558990 /nfs/dbraw/zinc/55/89/90/415558990.db2.gz PBBMIRPCSWACDX-KBPBESRZSA-N 0 0 323.437 0.613 50 0 DCAARN OC[C@H]1O[C@@H](OCCCCC2CCCCC2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095921607 415564066 /nfs/dbraw/zinc/56/40/66/415564066.db2.gz PZPARHKVNAJBDB-IBEHDNSVSA-N 0 0 318.410 0.554 50 0 DCAARN C[C@H](C(=O)N(C)C1CC(O)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000095940296 415564713 /nfs/dbraw/zinc/56/47/13/415564713.db2.gz LAFHXHTVAPWYNN-OIKLOGQESA-N 0 0 315.366 0.970 50 0 DCAARN Cc1noc([C@@H]2CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)n1 ZINC000095955364 415565129 /nfs/dbraw/zinc/56/51/29/415565129.db2.gz DSCZCODDMATLSJ-PSASIEDQSA-N 0 0 316.383 0.022 50 0 DCAARN CC(C)Cn1cnc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)c1 ZINC000095975518 415566761 /nfs/dbraw/zinc/56/67/61/415566761.db2.gz CZNYOEYZLMFFEF-NEPJUHHUSA-N 0 0 301.412 0.978 50 0 DCAARN CNC(=O)[C@H]1CCCN(C(=O)Cn2cnc3c2CCCC3)C1 ZINC000095993015 415569728 /nfs/dbraw/zinc/56/97/28/415569728.db2.gz LLJIAUMZQQAVNA-LBPRGKRZSA-N 0 0 304.394 0.747 50 0 DCAARN Nc1nc(N)nc(CN2CCN(c3ccncc3Cl)CC2)n1 ZINC000095980417 415569804 /nfs/dbraw/zinc/56/98/04/415569804.db2.gz YPEUUHXQWUUKDL-UHFFFAOYSA-N 0 0 320.788 0.407 50 0 DCAARN O=C(CN[C@H](CO)c1ccc(Cl)c(F)c1)N1CCOCC1 ZINC000096006514 415570872 /nfs/dbraw/zinc/57/08/72/415570872.db2.gz MNNXANWTBOMWDQ-CYBMUJFWSA-N 0 0 316.760 0.961 50 0 DCAARN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccccn1 ZINC000102952631 415601451 /nfs/dbraw/zinc/60/14/51/415601451.db2.gz UMWPBELURDFKDT-STQMWFEESA-N 0 0 301.346 0.873 50 0 DCAARN COCCNC(=O)CNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000096407452 415578158 /nfs/dbraw/zinc/57/81/58/415578158.db2.gz WBCXQFNEBBXAFS-VHSXEESVSA-N 0 0 312.316 0.947 50 0 DCAARN COC(=O)[C@]12CCC[C@H]1CN(CC(=O)NCC(F)(F)F)C2 ZINC000097082964 415582797 /nfs/dbraw/zinc/58/27/97/415582797.db2.gz OUEYHVGXDIKKQU-CABZTGNLSA-N 0 0 308.300 0.940 50 0 DCAARN Cc1cc(C)n(CCNC(=O)c2ccc(-n3cnnc3)nc2)n1 ZINC000097172989 415587476 /nfs/dbraw/zinc/58/74/76/415587476.db2.gz CXCBVEMQKIFCPG-UHFFFAOYSA-N 0 0 311.349 0.906 50 0 DCAARN Cc1noc([C@H]2COCCN2CC(=O)NCc2ccco2)n1 ZINC000097109118 415588248 /nfs/dbraw/zinc/58/82/48/415588248.db2.gz MYIZNLMGWJEANC-GFCCVEGCSA-N 0 0 306.322 0.661 50 0 DCAARN CCc1cccc2c1N(C(C)=O)C(=O)/C2=C1\NC(=S)NC1=O ZINC000102437080 415599536 /nfs/dbraw/zinc/59/95/36/415599536.db2.gz MNKWLXACZBGEAU-KHPPLWFESA-N 0 0 315.354 0.858 50 0 DCAARN O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CNC(=O)N1 ZINC000107580486 415668729 /nfs/dbraw/zinc/66/87/29/415668729.db2.gz FGMIOSWPQOVHBF-GXFFZTMASA-N 0 0 322.796 0.964 50 0 DCAARN CN1CCO[C@H](CN(C(=O)[C@H]2CCOC2)c2nccs2)C1 ZINC000108086863 415675864 /nfs/dbraw/zinc/67/58/64/415675864.db2.gz LMTREDNPAVMVGJ-RYUDHWBXSA-N 0 0 311.407 0.843 50 0 DCAARN Cc1c(C(=O)N2CCC[C@H]2C(N)=O)nnn1-c1ccc(C)cc1 ZINC000112898461 415714125 /nfs/dbraw/zinc/71/41/25/415714125.db2.gz SFRBUUAGXAYGHS-ZDUSSCGKSA-N 0 0 313.361 0.974 50 0 DCAARN Cn1cc([C@@H](NC(=O)N2CCO[C@H](CO)C2)C(F)(F)F)cn1 ZINC000334104403 415805829 /nfs/dbraw/zinc/80/58/29/415805829.db2.gz TXKIUEYLOSGEOU-VHSXEESVSA-N 0 0 322.287 0.426 50 0 DCAARN Cc1nnc(CN2CCN(c3ccnc4nncn43)CC2)s1 ZINC000299768004 416065329 /nfs/dbraw/zinc/06/53/29/416065329.db2.gz DYDWVANRDGVGAY-UHFFFAOYSA-N 0 0 316.394 0.606 50 0 DCAARN CC(C)c1cc(NC(=O)NCCCN2CCNC(=O)C2)n(C)n1 ZINC000299764063 416065360 /nfs/dbraw/zinc/06/53/60/416065360.db2.gz RDLZMEHDOIYKTC-UHFFFAOYSA-N 0 0 322.413 0.487 50 0 DCAARN CSCC[C@@H](O)C(=O)NCCn1ncc2ccccc2c1=O ZINC000299768025 416065405 /nfs/dbraw/zinc/06/54/05/416065405.db2.gz FBLSQNLWXMUAQY-CYBMUJFWSA-N 0 0 321.402 0.627 50 0 DCAARN CC(C)Cn1nccc1NC(=O)NCCCN1CCNC(=O)C1 ZINC000299773562 416065433 /nfs/dbraw/zinc/06/54/33/416065433.db2.gz FYTRZYUKPRQBMD-UHFFFAOYSA-N 0 0 322.413 0.483 50 0 DCAARN CN(C)Cc1cncc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)n1 ZINC000299762664 416066370 /nfs/dbraw/zinc/06/63/70/416066370.db2.gz WCPNOMDBNBKJQT-KBPBESRZSA-N 0 0 315.381 0.480 50 0 DCAARN O=C(NCCCn1cc(Cl)cn1)[C@H]1CCC(=O)NC(=O)N1 ZINC000299786416 416069105 /nfs/dbraw/zinc/06/91/05/416069105.db2.gz XGXBZUGMTCCYPU-SECBINFHSA-N 0 0 313.745 0.031 50 0 DCAARN O=C(CNC(=O)c1ccccc1)NCC1CCS(=O)(=O)CC1 ZINC000299788914 416069906 /nfs/dbraw/zinc/06/99/06/416069906.db2.gz UMRWKKHUEOXOEX-UHFFFAOYSA-N 0 0 324.402 0.357 50 0 DCAARN Cc1cc(CC(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)on1 ZINC000299800225 416071823 /nfs/dbraw/zinc/07/18/23/416071823.db2.gz WFNHJASUQBUJPY-STQMWFEESA-N 0 0 303.322 0.489 50 0 DCAARN CN(C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000182399534 416221248 /nfs/dbraw/zinc/22/12/48/416221248.db2.gz IEFWWFVBEVXZLL-UHFFFAOYSA-N 0 0 305.787 0.890 50 0 DCAARN CCC1=NO[C@@H](CN2CCN(c3ccnc4nncn43)CC2)C1 ZINC000252483991 416334636 /nfs/dbraw/zinc/33/46/36/416334636.db2.gz FLSHNNJJYJCDFT-CYBMUJFWSA-N 0 0 315.381 0.801 50 0 DCAARN CCC[C@@H](C)N(C)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000252452715 416334678 /nfs/dbraw/zinc/33/46/78/416334678.db2.gz YAGWKTLZPKIQRH-MNOVXSKESA-N 0 0 319.427 0.120 50 0 DCAARN CC1(C)CC(=O)N(CC(=O)NC[C@@H]2Cc3ccccc3O2)C1=O ZINC000331514998 416322842 /nfs/dbraw/zinc/32/28/42/416322842.db2.gz ROPAVHJTGSJHMV-LBPRGKRZSA-N 0 0 316.357 0.891 50 0 DCAARN Cc1nn(-c2ccc3nncn3n2)c(N)c1[C@@H](O)C(F)(F)F ZINC000205649870 416326896 /nfs/dbraw/zinc/32/68/96/416326896.db2.gz SEJHFNLJHCELOP-RKDXNWHRSA-N 0 0 313.243 0.837 50 0 DCAARN COCCOCC(=O)N1CCc2[nH]c(-c3cn[nH]c3)nc2C1 ZINC000215249410 416327003 /nfs/dbraw/zinc/32/70/03/416327003.db2.gz KKCRZEAOIBRYBM-UHFFFAOYSA-N 0 0 305.338 0.348 50 0 DCAARN Cc1cc(C)c(C(=O)N2CCN(Cc3nc[nH]n3)CC2)c(=O)[nH]1 ZINC000215288720 416327104 /nfs/dbraw/zinc/32/71/04/416327104.db2.gz WMUVBIZPZLKWAO-UHFFFAOYSA-N 0 0 316.365 0.068 50 0 DCAARN COC[C@H]1CCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000215616808 416327271 /nfs/dbraw/zinc/32/72/71/416327271.db2.gz ZUEXOAZZMZREPQ-DGCLKSJQSA-N 0 0 312.391 0.879 50 0 DCAARN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)Cn1nnnc1N ZINC000216456490 416327436 /nfs/dbraw/zinc/32/74/36/416327436.db2.gz JYMGHMSHUYWCMQ-UHFFFAOYSA-N 0 0 312.337 0.304 50 0 DCAARN COc1ccnc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000216543539 416327504 /nfs/dbraw/zinc/32/75/04/416327504.db2.gz MYRGGGZSXIFDLV-UHFFFAOYSA-N 0 0 321.358 0.668 50 0 DCAARN CNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc2cc[nH]c21 ZINC000216108843 416327534 /nfs/dbraw/zinc/32/75/34/416327534.db2.gz JOUYSDKMWAZCIO-ZDUSSCGKSA-N 0 0 300.362 0.604 50 0 DCAARN COc1cccc(CN(C)C(=O)Cn2nnnc2C)c1OC ZINC000241447088 416329898 /nfs/dbraw/zinc/32/98/98/416329898.db2.gz NRCYDLZTGNYTIH-UHFFFAOYSA-N 0 0 305.338 0.657 50 0 DCAARN Cn1cnnc1SCC(=O)N1CC[C@@]2(C1)CCCN(C)C2=O ZINC000244594284 416330302 /nfs/dbraw/zinc/33/03/02/416330302.db2.gz DJYDBXBSDZQKGP-CQSZACIVSA-N 0 0 323.422 0.378 50 0 DCAARN Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)Cc2ccccn2)C1 ZINC000244574950 416330336 /nfs/dbraw/zinc/33/03/36/416330336.db2.gz CUCYVXSPAGAUSJ-UMSPYCQHSA-N 0 0 301.350 0.307 50 0 DCAARN Cn1ccc(NC(=O)CN2CCC[C@]3(CN(C)C(=O)O3)C2)n1 ZINC000244602016 416330353 /nfs/dbraw/zinc/33/03/53/416330353.db2.gz DWDMYGKDVOSOGZ-AWEZNQCLSA-N 0 0 307.354 0.275 50 0 DCAARN CN(C)c1noc(CN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)n1 ZINC000241693895 416330514 /nfs/dbraw/zinc/33/05/14/416330514.db2.gz QIPZPWIZSBIKNV-QWHCGFSZSA-N 0 0 320.397 0.957 50 0 DCAARN COC(=O)c1ccc(S(=O)(=O)N(C)C2(CO)CC2)s1 ZINC000242288060 416330591 /nfs/dbraw/zinc/33/05/91/416330591.db2.gz YKTUGJDNRHGHRW-UHFFFAOYSA-N 0 0 305.377 0.680 50 0 DCAARN O=C(Nc1cnnn1-c1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000585119896 416518051 /nfs/dbraw/zinc/51/80/51/416518051.db2.gz ZDOFHORAPHJJEE-NSHDSACASA-N 0 0 324.348 0.995 50 0 DCAARN CN1CC[C@@](C)(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1=O ZINC000585120994 416518347 /nfs/dbraw/zinc/51/83/47/416518347.db2.gz BEKNORLIOXPMJH-SUMWQHHRSA-N 0 0 321.421 0.620 50 0 DCAARN COc1nccc(CN2CCN(C)[C@@H](c3nc(C)no3)C2)n1 ZINC000585117626 416518547 /nfs/dbraw/zinc/51/85/47/416518547.db2.gz OFFZCNOTDMLPFW-GFCCVEGCSA-N 0 0 304.354 0.665 50 0 DCAARN COc1cccc(-n2cc(NC(=O)[C@@H]3COCCO3)nn2)c1 ZINC000585125753 416520373 /nfs/dbraw/zinc/52/03/73/416520373.db2.gz DQLLRQCEEDITKQ-LBPRGKRZSA-N 0 0 304.306 0.630 50 0 DCAARN COCc1ncc(CNC(=O)c2cccc(OC)c2)c(N)n1 ZINC000408518028 417165413 /nfs/dbraw/zinc/16/54/13/417165413.db2.gz SECSHQWHFSZLFI-UHFFFAOYSA-N 0 0 302.334 1.144 50 0 DCAARN CCOC(=O)CCC(=O)NCc1nc(-c2cnn(C)c2)no1 ZINC000575414479 417536041 /nfs/dbraw/zinc/53/60/41/417536041.db2.gz KVJMQIKHXJKARB-UHFFFAOYSA-N 0 0 307.310 0.430 50 0 DCAARN COc1nc(CNC(=O)c2ccc(OC)c(F)c2)nc(OC)n1 ZINC000575603761 417540063 /nfs/dbraw/zinc/54/00/63/417540063.db2.gz KGSRJUHIVYZIMH-UHFFFAOYSA-N 0 0 322.296 0.967 50 0 DCAARN CNC(=O)/C=C/CNC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000575617820 417540999 /nfs/dbraw/zinc/54/09/99/417540999.db2.gz NXDNPCHMFBSRIN-NSCUHMNNSA-N 0 0 314.139 0.582 50 0 DCAARN C[C@H](Cn1cncn1)NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000299138540 228958104 /nfs/dbraw/zinc/95/81/04/228958104.db2.gz XRNQKSNVQDAWQN-HLTSFMKQSA-N 0 0 319.287 0.240 50 0 DCAARN Cc1nnc(CNS(=O)(=O)c2cccc(C(=O)N(C)C)c2)[nH]1 ZINC000097785106 262547136 /nfs/dbraw/zinc/54/71/36/262547136.db2.gz JHCNARWUPFLPTG-UHFFFAOYSA-N 0 0 323.378 0.293 50 0 DCAARN CCn1ncc(CNC(=O)N[C@H]2CCCc3nn(C)cc32)n1 ZINC000527908850 272626096 /nfs/dbraw/zinc/62/60/96/272626096.db2.gz GGXFAQOGIWRMDG-LBPRGKRZSA-N 0 0 303.370 0.908 50 0 DCAARN CN(C)[C@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccco1 ZINC000048289065 276860786 /nfs/dbraw/zinc/86/07/86/276860786.db2.gz QDSXEIZVLRBDIT-VXGBXAGGSA-N 0 0 308.382 0.789 50 0 DCAARN CN1C(=O)CO[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1ccccc1 ZINC000072237993 277009993 /nfs/dbraw/zinc/00/99/93/277009993.db2.gz IKDIPZDDUGZAIS-BPUTZDHNSA-N 0 0 318.373 0.880 50 0 DCAARN CC(=O)c1ccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000006670143 277110554 /nfs/dbraw/zinc/11/05/54/277110554.db2.gz IZZYPRKFRXGQRS-VXGBXAGGSA-N 0 0 310.400 0.749 50 0 DCAARN CC(C)(C)OCCN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000097147478 277214225 /nfs/dbraw/zinc/21/42/25/277214225.db2.gz JTQIYMVSJRRSSN-UHFFFAOYSA-N 0 0 318.483 0.996 50 0 DCAARN COC(=O)/C=c1\sc2nc3sc(C)c(C)c3c(=O)n2c1=O ZINC000000522490 277306991 /nfs/dbraw/zinc/30/69/91/277306991.db2.gz KBKNZWQYPPTNRG-DAXSKMNVSA-N 0 0 322.367 0.620 50 0 DCAARN CC(C)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000003463782 277652101 /nfs/dbraw/zinc/65/21/01/277652101.db2.gz PEWKUZSJFPNWGR-INIZCTEOSA-N 0 0 301.346 0.905 50 0 DCAARN CCCN1CCN(C(=O)c2ccncc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072410346 278824596 /nfs/dbraw/zinc/82/45/96/278824596.db2.gz VWKNSKSETLIBTG-KGLIPLIRSA-N 0 0 323.418 0.415 50 0 DCAARN Cc1cccn2c(=O)c(C=O)c(N[C@H]3CCS(=O)(=O)C3)nc12 ZINC000004087389 278969033 /nfs/dbraw/zinc/96/90/33/278969033.db2.gz HGZYJYYFRWBBNS-JTQLQIEISA-N 0 0 321.358 0.414 50 0 DCAARN CCOC(=O)N1CCN(c2ncccc2S(N)(=O)=O)CC1 ZINC000069621712 279574968 /nfs/dbraw/zinc/57/49/68/279574968.db2.gz MCGUORICHXGAMV-UHFFFAOYSA-N 0 0 314.367 0.008 50 0 DCAARN O=S1(=O)CC[C@@H](Nc2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000014220326 280349121 /nfs/dbraw/zinc/34/91/21/280349121.db2.gz YXRZMCGXQNANGM-ZCFIWIBFSA-N 0 0 321.284 0.742 50 0 DCAARN Cc1nc2sccc2c(N2CCN3CCN(C)C(=O)[C@@H]3C2)n1 ZINC000095365261 293562511 /nfs/dbraw/zinc/56/25/11/293562511.db2.gz GQWADPVWENJCDK-LBPRGKRZSA-N 0 0 317.418 0.962 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)NC(=O)N[C@H]2c1cccc(O)c1 ZINC000038488436 294137047 /nfs/dbraw/zinc/13/70/47/294137047.db2.gz ZLVDNMBHQZROSW-JTQLQIEISA-N 0 0 302.290 0.014 50 0 DCAARN NC(=O)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N ZINC000021145675 295076097 /nfs/dbraw/zinc/07/60/97/295076097.db2.gz VZHDMLFHBKUFHD-UHFFFAOYSA-N 0 0 310.314 0.085 50 0 DCAARN Nc1nc(N2CCOCC2)nc2c1[C@H](c1ncc[nH]1)CC(=O)N2 ZINC000065461926 295368624 /nfs/dbraw/zinc/36/86/24/295368624.db2.gz KGTNPFDEIZBPNB-MRVPVSSYSA-N 0 0 315.337 0.093 50 0 DCAARN O=C(Cn1cn[nH]c1=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189801423 295562833 /nfs/dbraw/zinc/56/28/33/295562833.db2.gz YNTSXRVKHKJIBX-UHFFFAOYSA-N 0 0 314.345 0.666 50 0 DCAARN C[C@H]1CNCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000054371504 300322808 /nfs/dbraw/zinc/32/28/08/300322808.db2.gz UHQDIQCXXXJYFH-JTQLQIEISA-N 0 0 318.420 0.073 50 0 DCAARN O=C1Nc2ccc(F)cc2C1(N1CCOCC1)N1CCOCC1 ZINC000035655417 304688929 /nfs/dbraw/zinc/68/89/29/304688929.db2.gz XTWGJHXMQNXMHX-UHFFFAOYSA-N 0 0 321.352 0.595 50 0 DCAARN Cc1c(S(=O)(=O)NC2CCCCC2)c(=O)n(C)c(=O)n1C ZINC000005055902 300988222 /nfs/dbraw/zinc/98/82/22/300988222.db2.gz ZJMCKANOWBVKQW-UHFFFAOYSA-N 0 0 315.395 0.003 50 0 DCAARN Cn1c(=O)[nH]c(=O)c2c1NC(=O)N[C@H]2c1ccccc1Cl ZINC000020717284 302891873 /nfs/dbraw/zinc/89/18/73/302891873.db2.gz PLAKCHOJOVXFMY-VIFPVBQESA-N 0 0 306.709 0.952 50 0 DCAARN NC(=O)[C@@H]1COCCN1C(=O)c1ccc2c(c1)CCCCC2=O ZINC000291709599 303307571 /nfs/dbraw/zinc/30/75/71/303307571.db2.gz PUAFAUYTIXOLKX-AWEZNQCLSA-N 0 0 316.357 0.922 50 0 DCAARN NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000071892811 303323840 /nfs/dbraw/zinc/32/38/40/303323840.db2.gz BDTMWPSIDKIBHJ-CABCVRRESA-N 0 0 317.389 0.536 50 0 DCAARN NCc1nnnn1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000570568006 332774805 /nfs/dbraw/zinc/77/48/05/332774805.db2.gz BCQOWAUGLLPTGR-UHFFFAOYSA-N 0 0 300.244 0.789 50 0 DCAARN CC(C)CNC(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000000470675 331463090 /nfs/dbraw/zinc/46/30/90/331463090.db2.gz ZOUBHCUCKQBNIV-UHFFFAOYSA-N 0 0 310.375 0.993 50 0 DCAARN CS(=O)(=O)N1CCC(C(=O)NCCCn2cccn2)CC1 ZINC000006850036 331499114 /nfs/dbraw/zinc/49/91/14/331499114.db2.gz BAIJLOZISVXBAZ-UHFFFAOYSA-N 0 0 314.411 0.061 50 0 DCAARN CC(C)CS(=O)(=O)CC(=O)N(CC(N)=O)C1CCCC1 ZINC000065513025 331878113 /nfs/dbraw/zinc/87/81/13/331878113.db2.gz GRTFRYUBCGAHPZ-UHFFFAOYSA-N 0 0 304.412 0.314 50 0 DCAARN Cc1cnn([C@@H](C)CNC(=O)Cn2cc(C)c(=O)[nH]c2=O)c1 ZINC000534578973 334288671 /nfs/dbraw/zinc/28/86/71/334288671.db2.gz HPBUKBKHMZCWLK-NSHDSACASA-N 0 0 305.338 0.140 50 0 DCAARN Cc1cccc(C(=O)N[C@H]2COC[C@@H]2N2CCN(C)CC2)n1 ZINC000534580412 334288894 /nfs/dbraw/zinc/28/88/94/334288894.db2.gz NEVXFPVYKJGHPT-GJZGRUSLSA-N 0 0 304.394 0.135 50 0 DCAARN Cc1cc2nc(CSc3nnc(CC[NH3+])n3C)cc(=O)n2[n-]1 ZINC000534583391 334289923 /nfs/dbraw/zinc/28/99/23/334289923.db2.gz PIWSRDQGUJOQLC-UHFFFAOYSA-N 0 0 319.394 0.253 50 0 DCAARN CO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1cc(C)sc1C ZINC000534635483 334309038 /nfs/dbraw/zinc/30/90/38/334309038.db2.gz NOQOSXVVADFNHK-QWRGUYRKSA-N 0 0 304.437 0.972 50 0 DCAARN NC(=O)c1nc(CNC2CCN(c3ccccc3)CC2)no1 ZINC000534640134 334311018 /nfs/dbraw/zinc/31/10/18/334311018.db2.gz FLKMNBZPXVMRCU-UHFFFAOYSA-N 0 0 301.350 0.927 50 0 DCAARN CC[N@@H+]1C[C@H](NC(=O)c2ccc(Cn3cccn3)o2)[C@@H](OC)C1 ZINC000534670924 334320248 /nfs/dbraw/zinc/32/02/48/334320248.db2.gz KZFMDNZXYMJEDN-ZFWWWQNUSA-N 0 0 318.377 0.973 50 0 DCAARN CSCC[C@H]([NH3+])C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000097234190 337382454 /nfs/dbraw/zinc/38/24/54/337382454.db2.gz VCSPLJARCWNAEL-LBPRGKRZSA-N 0 0 312.414 0.950 50 0 DCAARN Cc1nccc(N2CCN(C(=O)NCc3ccnn3C)CC2)n1 ZINC000097376487 337382704 /nfs/dbraw/zinc/38/27/04/337382704.db2.gz VGDQWIGLMSCMJB-UHFFFAOYSA-N 0 0 315.381 0.550 50 0 DCAARN NC(=O)c1cc([C@@H]2CCCN(C(=O)NC[C@@H]3CCCO3)C2)n[nH]1 ZINC000095410056 534471766 /nfs/dbraw/zinc/47/17/66/534471766.db2.gz JAZCUTKJNAJYRA-MNOVXSKESA-N 0 0 321.381 0.577 50 0 DCAARN CCc1csc(CNC(=O)C2CCN(CC(N)=O)CC2)n1 ZINC000091269655 522102019 /nfs/dbraw/zinc/10/20/19/522102019.db2.gz WUXGQTWHVUTTPK-UHFFFAOYSA-N 0 0 310.423 0.519 50 0 DCAARN CCc1nn(C)c(OC)c1CNC(=O)N[C@H]1C(=O)NCC[C@H]1C ZINC000193924024 522673747 /nfs/dbraw/zinc/67/37/47/522673747.db2.gz NWYAMNHVXPUSSM-BXKDBHETSA-N 0 0 323.397 0.315 50 0 DCAARN Cc1csc(N(C)C(=O)CN(C)Cc2nnc(C)n2C)n1 ZINC000332305942 534823336 /nfs/dbraw/zinc/82/33/36/534823336.db2.gz KDPUNOSZKZOZHF-UHFFFAOYSA-N 0 0 308.411 0.983 50 0 DCAARN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000331201780 526682045 /nfs/dbraw/zinc/68/20/45/526682045.db2.gz XBEOSKDFZWAJIZ-BEAPCOKYSA-N 0 0 312.410 0.680 50 0 DCAARN CCC(=O)N1CCC[C@H]1C(=O)NCc1nc(CSC)no1 ZINC000299771123 528316324 /nfs/dbraw/zinc/31/63/24/528316324.db2.gz ZZQMYERPYGMUQS-VIFPVBQESA-N 0 0 312.395 0.950 50 0 DCAARN CCCc1ncncc1C(=O)NCc1nc(C(=O)NC)no1 ZINC000299785240 528769837 /nfs/dbraw/zinc/76/98/37/528769837.db2.gz KFYBZJGUCAXNJF-UHFFFAOYSA-N 0 0 304.310 0.102 50 0 DCAARN CCCNc1nc(N2CCN(CCO)CC2)nc2c1cnn2C ZINC000021929707 535205693 /nfs/dbraw/zinc/20/56/93/535205693.db2.gz UJWQPOOGIQVFSN-UHFFFAOYSA-N 0 0 319.413 0.300 50 0 DCAARN C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(=O)n(-c4ccccc4)[n-]3)C[C@H]21 ZINC000077419061 545679341 /nfs/dbraw/zinc/67/93/41/545679341.db2.gz AEUNRDWASLWDPP-SWLSCSKDSA-N 0 0 312.373 0.942 50 0 DCAARN O=C(CN1CCC[C@H]1c1noc(C2CC2)n1)N1CCNC1=O ZINC000084136705 545699784 /nfs/dbraw/zinc/69/97/84/545699784.db2.gz OQZTUHDBSHCLEJ-JTQLQIEISA-N 0 0 305.338 0.636 50 0 DCAARN O=C1CCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)CCN1 ZINC000084432373 545700303 /nfs/dbraw/zinc/70/03/03/545700303.db2.gz DXHPJFRABTVOGB-LLVKDONJSA-N 0 0 313.379 0.483 50 0 DCAARN CCOCCN1CCN(C(=O)CNC(=O)[C@@H](C)CC)C[C@H]1C ZINC000084721267 545702298 /nfs/dbraw/zinc/70/22/98/545702298.db2.gz JQICOMKFQXSCHO-UONOGXRCSA-N 0 0 313.442 0.718 50 0 DCAARN COC(=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)cnc1N ZINC000147636159 545809584 /nfs/dbraw/zinc/80/95/84/545809584.db2.gz KLJOKZQCUUQBGV-UHFFFAOYSA-N 0 0 307.331 0.916 50 0 DCAARN CCn1ccnc1CN(C)Cc1cnc(N(C)CC(=O)[O-])nc1 ZINC000216016963 545939220 /nfs/dbraw/zinc/93/92/20/545939220.db2.gz VQFVOIXGWAYGSY-UHFFFAOYSA-N 0 0 318.381 0.846 50 0 DCAARN CCCN1CC(=O)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000238900535 545960376 /nfs/dbraw/zinc/96/03/76/545960376.db2.gz JHFASALQOKAMKY-KGLIPLIRSA-N 0 0 308.403 0.911 50 0 DCAARN NC(=O)CN(CC(N)=O)C(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000668021627 546683603 /nfs/dbraw/zinc/68/36/03/546683603.db2.gz LWWBLRNRZYBXTR-UFBFGSQYSA-N 0 0 303.309 0.001 50 0 DCAARN CCN1CCN(S(=O)(=O)c2ccnn2C(C)C)CC1=O ZINC000670435452 547088484 /nfs/dbraw/zinc/08/84/84/547088484.db2.gz ATSSKZYAFUSGME-UHFFFAOYSA-N 0 0 300.384 0.317 50 0 DCAARN Cc1cn2c(nc(CN3CCN4C(=O)OC[C@@H]4C3)cc2=O)s1 ZINC000670437977 547090670 /nfs/dbraw/zinc/09/06/70/547090670.db2.gz OSYWUOLHDKNUSR-NSHDSACASA-N 0 0 320.374 0.701 50 0 DCAARN Cc1csc(S(=O)(=O)N2CCN(C)[C@@H](CCO)C2)c1 ZINC000670439510 547090955 /nfs/dbraw/zinc/09/09/55/547090955.db2.gz FHEIWVDDNQRPQU-NSHDSACASA-N 0 0 304.437 0.744 50 0 DCAARN CN1C[C@H](CNC(=O)c2cccc3nccnc32)OCC1=O ZINC000670444637 547093258 /nfs/dbraw/zinc/09/32/58/547093258.db2.gz WPTMLZRUBZSJHN-JTQLQIEISA-N 0 0 300.318 0.217 50 0 DCAARN CCCn1cc(S(=O)(=O)N2CCO[C@@H](CCOC)C2)cn1 ZINC000670444640 547093478 /nfs/dbraw/zinc/09/34/78/547093478.db2.gz XECMYYGCVOKYHA-LBPRGKRZSA-N 0 0 317.411 0.719 50 0 DCAARN COC[C@@H]1CCCN1S(=O)(=O)NCc1noc(C(C)C)n1 ZINC000670446640 547094837 /nfs/dbraw/zinc/09/48/37/547094837.db2.gz VAZMRTASECJGAY-JTQLQIEISA-N 0 0 318.399 0.638 50 0 DCAARN Cc1cc(C)n(CCCN(C)S(=O)(=O)c2cn(C)cn2)n1 ZINC000670451108 547095897 /nfs/dbraw/zinc/09/58/97/547095897.db2.gz FFAFPCFFKLPAAS-UHFFFAOYSA-N 0 0 311.411 0.944 50 0 DCAARN Cc1nc2cc(CNC(=O)[C@H]3CCS(=O)(=O)C3)ccc2n1C ZINC000670455618 547097476 /nfs/dbraw/zinc/09/74/76/547097476.db2.gz UVKXETUWLUUBQD-LBPRGKRZSA-N 0 0 321.402 0.933 50 0 DCAARN O=S(=O)(CCOc1ccc(F)cc1)N1CC[C@H](CO)C1 ZINC000670455642 547097698 /nfs/dbraw/zinc/09/76/98/547097698.db2.gz JBXYZNRUVPDMBK-NSHDSACASA-N 0 0 303.355 0.849 50 0 DCAARN Cc1cc(C)n(CCC(=O)N2CC[C@]3(C2)CN(C)C(=O)CO3)n1 ZINC000670460365 547098875 /nfs/dbraw/zinc/09/88/75/547098875.db2.gz IOJDYTMNSNYFBC-MRXNPFEDSA-N 0 0 320.393 0.350 50 0 DCAARN CSc1ncc(CNC(=O)[C@@H]2CCCCn3nnnc32)n1C ZINC000670473663 547102542 /nfs/dbraw/zinc/10/25/42/547102542.db2.gz ZHQFKNJISHFHCO-SNVBAGLBSA-N 0 0 321.410 0.712 50 0 DCAARN Cc1ccc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)c(C)n1 ZINC000685941825 548746945 /nfs/dbraw/zinc/74/69/45/548746945.db2.gz JBZUMVAYYQLLOI-UONOGXRCSA-N 0 0 302.334 0.998 50 0 DCAARN O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1ccc2c(c1)OCO2 ZINC000685941352 548747300 /nfs/dbraw/zinc/74/73/00/548747300.db2.gz ARICKNIAYWMEJI-SMDDNHRTSA-N 0 0 317.301 0.715 50 0 DCAARN CN(C)c1ccnc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)c1 ZINC000685942477 548747707 /nfs/dbraw/zinc/74/77/07/548747707.db2.gz RKLLSKQTULOEQK-UONOGXRCSA-N 0 0 317.349 0.447 50 0 DCAARN CN(C)S(=O)(=O)N1CC[C@@H](S(=O)(=O)Cc2ccco2)C1 ZINC000206695766 563634893 /nfs/dbraw/zinc/63/48/93/563634893.db2.gz UTULSHWHFXSBHW-LLVKDONJSA-N 0 0 322.408 0.075 50 0 DCAARN O=S(=O)(c1ccc(F)c(F)c1)N1CCN(CCCO)CC1 ZINC000169900415 563901333 /nfs/dbraw/zinc/90/13/33/563901333.db2.gz DPPYYCSXJBSPCL-UHFFFAOYSA-N 0 0 320.361 0.654 50 0 DCAARN CC[C@H]1C(=O)NCCN1c1nc2ccccc2c(=O)n1CCO ZINC000888095601 661167097 /nfs/dbraw/zinc/16/70/97/661167097.db2.gz UDXIDRNJECUYTE-ZDUSSCGKSA-N 0 0 316.361 0.104 50 0 DCAARN COCC(=O)N1CCc2cc(NC(=O)Cn3ccnn3)ccc21 ZINC000187450379 657553125 /nfs/dbraw/zinc/55/31/25/657553125.db2.gz IQVJNPYAEVTHRN-UHFFFAOYSA-N 0 0 315.333 0.452 50 0 DCAARN CC(=O)NC[C@H]1CN(Cc2cc3ccccc3[nH]c2=O)CCO1 ZINC000172187349 664617407 /nfs/dbraw/zinc/61/74/07/664617407.db2.gz ICOIUFORBWVVIQ-HNNXBMFYSA-N 0 0 315.373 0.865 50 0 DCAARN Cc1cn(-c2ccccc2)nc1C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000184287496 666193948 /nfs/dbraw/zinc/19/39/48/666193948.db2.gz SNFQRNTWHUNUIQ-CYBMUJFWSA-N 0 0 314.345 0.507 50 0 DCAARN CN(C)c1nc2nonc2nc1N(C)CCc1cnn(C)c1 ZINC000011762741 666199993 /nfs/dbraw/zinc/19/99/93/666199993.db2.gz XWORTLGFCZMEPX-UHFFFAOYSA-N 0 0 302.342 0.491 50 0 DCAARN O=C(c1ccc2[nH]c(CO)nc2c1)N1CCC[C@](O)(CO)C1 ZINC000072149728 666229319 /nfs/dbraw/zinc/22/93/19/666229319.db2.gz JSBZEVZQWWXEFE-OAHLLOKOSA-N 0 0 305.334 0.015 50 0 DCAARN C(Nc1nc2nonc2nc1N1CCCCC1)[C@H]1COCCO1 ZINC000012075962 666320459 /nfs/dbraw/zinc/32/04/59/666320459.db2.gz CRRNJFDFNYYUTI-JTQLQIEISA-N 0 0 320.353 0.830 50 0 DCAARN Cc1cc(N)n(CC(=O)N[C@H]2CC(=O)N(CC(C)(C)C)C2)n1 ZINC000012072451 666320830 /nfs/dbraw/zinc/32/08/30/666320830.db2.gz IWRLYXUQUXUBEK-NSHDSACASA-N 0 0 307.398 0.537 50 0 DCAARN CC[C@@H](COC)NC(=O)Cn1nnnc1CN1CCC(C)CC1 ZINC000012443217 666645331 /nfs/dbraw/zinc/64/53/31/666645331.db2.gz BXURZKVASIIHNH-ZDUSSCGKSA-N 0 0 324.429 0.446 50 0 DCAARN O=C(Cn1cccn1)N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000012458457 666652958 /nfs/dbraw/zinc/65/29/58/666652958.db2.gz LRUGBOHDWKBQQX-OAHLLOKOSA-N 0 0 324.384 0.768 50 0 DCAARN CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCNC(=O)C2)CC1(F)F ZINC000864498787 667257660 /nfs/dbraw/zinc/25/76/60/667257660.db2.gz YKJMNLYJRUJFPI-GFCCVEGCSA-N 0 0 319.308 0.247 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(C(=O)/C=C\c2ccco2)CC1 ZINC000048533763 669940318 /nfs/dbraw/zinc/94/03/18/669940318.db2.gz RVQJFEGGPPSDKC-WAYWQWQTSA-N 0 0 313.379 0.243 50 0 DCAARN Cn1cc(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)ccc1=O ZINC000952978770 685601074 /nfs/dbraw/zinc/60/10/74/685601074.db2.gz RUPMDEQALSXVEI-UHFFFAOYSA-N 0 0 312.289 0.943 50 0 DCAARN Cc1ccc(C(=O)N2CCN3C(=O)CN(C)C(=O)[C@H]3C2)cc1F ZINC000014747381 685048472 /nfs/dbraw/zinc/04/84/72/685048472.db2.gz UAZKSQLUODTIBG-CYBMUJFWSA-N 0 0 319.336 0.259 50 0 DCAARN O=C1[C@@H]2CCCN2C(=O)[C@H]2CN(Cc3cccs3)CCN12 ZINC000014746049 685048679 /nfs/dbraw/zinc/04/86/79/685048679.db2.gz PXFRZCHPSXLDPN-QWHCGFSZSA-N 0 0 305.403 0.766 50 0 DCAARN Nc1cc(=O)[nH]c(CCNC(=O)[C@H]2CCc3ccccc3C2)n1 ZINC000020638614 685052061 /nfs/dbraw/zinc/05/20/61/685052061.db2.gz BOVNYLGPBPOPST-ZDUSSCGKSA-N 0 0 312.373 0.816 50 0 DCAARN O[C@H]1CN(Cc2nc3c(s2)CCCC3)C[C@@H]1N1CCOCC1 ZINC000020775650 685052528 /nfs/dbraw/zinc/05/25/28/685052528.db2.gz SOLAQDBCGSQZKG-KBPBESRZSA-N 0 0 323.462 0.899 50 0 DCAARN Cc1nc(C)c(C(=O)N[C@H]2CCc3n[nH]c(=O)n3CC2)s1 ZINC000169783343 685141122 /nfs/dbraw/zinc/14/11/22/685141122.db2.gz NKDCIKJNKQBJLJ-VIFPVBQESA-N 0 0 307.379 0.780 50 0 DCAARN Cc1nn2ncccc2c1C(=O)N1C[C@@H]2CCCN2C(=O)[C@@H]1C ZINC001772703983 1157842560 /nfs/dbraw/zinc/84/25/60/1157842560.db2.gz OKTIIVFZNDOBMM-RYUDHWBXSA-N 0 0 313.361 0.873 50 0 DCAARN CCc1[nH+]c(N)nc(N2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)c1C ZINC001772705628 1157843716 /nfs/dbraw/zinc/84/37/16/1157843716.db2.gz YZVDEXYPWIPTEI-BMIGLBTASA-N 0 0 306.366 0.857 50 0 DCAARN Cc1cccn2ncc(C(=O)N3CC[C@H](CS(N)(=O)=O)C3)c12 ZINC001772708157 1157844852 /nfs/dbraw/zinc/84/48/52/1157844852.db2.gz DFGQBPKIQHGFTG-NSHDSACASA-N 0 0 322.390 0.393 50 0 DCAARN Cc1cccn2ncc(C(=O)N3CC[C@@H](CS(N)(=O)=O)C3)c12 ZINC001772708156 1157845361 /nfs/dbraw/zinc/84/53/61/1157845361.db2.gz DFGQBPKIQHGFTG-LLVKDONJSA-N 0 0 322.390 0.393 50 0 DCAARN O=C(Cn1nc2ccccc2n1)N1CCC([C@@H](O)CO)CC1 ZINC001772709089 1157846606 /nfs/dbraw/zinc/84/66/06/1157846606.db2.gz HPWXQKHXCPIQLX-AWEZNQCLSA-N 0 0 304.350 0.023 50 0 DCAARN C[C@H](CC(=O)NC[C@]1(CO)COCCN1)Cc1cccc(F)c1 ZINC000585128959 1158818193 /nfs/dbraw/zinc/81/81/93/1158818193.db2.gz SCVXACFRJOKUJE-GUYCJALGSA-N 0 0 324.396 0.862 50 0 DCAARN CCCCS(=O)(=O)N1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O ZINC001704299554 1179964374 /nfs/dbraw/zinc/96/43/74/1179964374.db2.gz PGZUEKRDAVBDLR-QWHCGFSZSA-N 0 0 321.439 0.483 50 0 DCAARN O=C(CCn1cnnc1)N1C[C@@H](Cc2ccccn2)[C@H](O)C1 ZINC001704300284 1179964901 /nfs/dbraw/zinc/96/49/01/1179964901.db2.gz QWQXDWAUZCBLEI-TZMCWYRMSA-N 0 0 301.350 0.125 50 0 DCAARN Cc1cnc(N2Cc3nc(C)n(C)c(=O)c3C2)nc1N(C)C ZINC001704297550 1179965407 /nfs/dbraw/zinc/96/54/07/1179965407.db2.gz CCNXOKIEOWKANH-UHFFFAOYSA-N 0 0 300.366 0.773 50 0 DCAARN CSCC(=O)N1CCCN(C(=O)CCn2cnnc2)CC1 ZINC001704302810 1179965823 /nfs/dbraw/zinc/96/58/23/1179965823.db2.gz SYDLLSFWETYOCY-UHFFFAOYSA-N 0 0 311.411 0.092 50 0 DCAARN CN(C)c1ncc2c(n1)[C@@]1(CC2)CCCN(S(C)(=O)=O)C1 ZINC001704316065 1179971599 /nfs/dbraw/zinc/97/15/99/1179971599.db2.gz UQWGOXOYZVKMBN-CQSZACIVSA-N 0 0 310.423 0.782 50 0 DCAARN COc1cc(N2C[C@@H](Cc3ccccn3)[C@H](O)C2)nc(N)n1 ZINC001704324635 1179971945 /nfs/dbraw/zinc/97/19/45/1179971945.db2.gz BXJJSYPBWKJYAN-ZYHUDNBSSA-N 0 0 301.350 0.502 50 0 DCAARN Cn1nc(C(F)(F)F)cc1C(=O)N(CCO)Cc1ncc[nH]1 ZINC001704325575 1179973514 /nfs/dbraw/zinc/97/35/14/1179973514.db2.gz KCSBBSGOEPNIEI-UHFFFAOYSA-N 0 0 317.271 0.797 50 0 DCAARN Cc1cc(=O)n(CCN2CCN(CC(C)C)C(=O)[C@@H]2C)c(=O)[nH]1 ZINC001704352961 1179982507 /nfs/dbraw/zinc/98/25/07/1179982507.db2.gz HKYSBPORQSATNV-ZDUSSCGKSA-N 0 0 322.409 0.446 50 0 DCAARN COc1cccc(C[N@@H+]2C[C@H]3CN(C(C)=O)CC[C@@]3(CO)C2)n1 ZINC000675020974 748027301 /nfs/dbraw/zinc/02/73/01/748027301.db2.gz JDWVYNPNSDJDQS-YOEHRIQHSA-N 0 0 319.405 0.753 50 0 DCAARN C[C@H]1C(=O)N(C)C[C@H](CO)N1C(=O)Cc1cccc(Cl)c1 ZINC000675020984 748027324 /nfs/dbraw/zinc/02/73/24/748027324.db2.gz JQPBUUVWTKIPKF-GXFFZTMASA-N 0 0 310.781 0.933 50 0 DCAARN COC(=O)c1cc(CO)n(C[C@@H](O)c2ccc(OC)cc2)n1 ZINC000643919614 748644128 /nfs/dbraw/zinc/64/41/28/748644128.db2.gz KHJACBRMMJSRMY-CQSZACIVSA-N 0 0 306.318 0.904 50 0 DCAARN C[C@@H](Cc1nc(CC(N)=O)nn1C(C)(C)C)N1CCOCC1 ZINC000821758529 758181347 /nfs/dbraw/zinc/18/13/47/758181347.db2.gz HEYKKYOTMDLUJF-NSHDSACASA-N 0 0 309.414 0.324 50 0 DCAARN COCCn1cnnc1[C@H](C)NC(=O)Cc1sc(N)nc1C ZINC000822280903 758190465 /nfs/dbraw/zinc/19/04/65/758190465.db2.gz DSEWMPRLBCDLDO-VIFPVBQESA-N 0 0 324.410 0.692 50 0 DCAARN CCCN1C(=O)N[C@@H](Cc2ncnn2-c2cc(C)ccn2)C1=O ZINC000822919161 758214641 /nfs/dbraw/zinc/21/46/41/758214641.db2.gz HELKFJHDKIBFQP-NSHDSACASA-N 0 0 314.349 0.844 50 0 DCAARN CCn1nc(C)c([C@@H](C)NC(=O)CCCS(N)(=O)=O)c1C ZINC000823593367 758252502 /nfs/dbraw/zinc/25/25/02/758252502.db2.gz JURDZHCQRFAOEP-SECBINFHSA-N 0 0 316.427 0.766 50 0 DCAARN CNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2OC)C1 ZINC000823820099 758269380 /nfs/dbraw/zinc/26/93/80/758269380.db2.gz IMRSMJOGQKVUMP-NSHDSACASA-N 0 0 312.391 0.760 50 0 DCAARN NS(=O)(=O)CCCC(=O)NCCOc1ccccc1F ZINC000828025726 758916966 /nfs/dbraw/zinc/91/69/66/758916966.db2.gz XCFCVOILGYJWFR-UHFFFAOYSA-N 0 0 304.343 0.389 50 0 DCAARN CC(C)n1cnnc1[C@@H](C)NC(=O)c1ccc2nnnn2c1 ZINC000828172192 758937537 /nfs/dbraw/zinc/93/75/37/758937537.db2.gz LDKKZOXZYGLLRL-SECBINFHSA-N 0 0 300.326 0.788 50 0 DCAARN COCCC(=O)N1CCC2(CC1)[C@@H](OC)C(=O)N2CC1CC1 ZINC000581802462 760251343 /nfs/dbraw/zinc/25/13/43/760251343.db2.gz KIDQTGVGMLBXKD-AWEZNQCLSA-N 0 0 310.394 0.651 50 0 DCAARN CCN1C(=O)CN(C(=O)c2ccccn2)CC12CCOCC2 ZINC000581801785 760251391 /nfs/dbraw/zinc/25/13/91/760251391.db2.gz JTNBFQZQPHJKDP-UHFFFAOYSA-N 0 0 303.362 0.935 50 0 DCAARN Cn1ncc(N2CC[C@@H](C(=O)NCc3ccccc3)C2)cc1=O ZINC000581792596 760252265 /nfs/dbraw/zinc/25/22/65/760252265.db2.gz MAXMSXCVJZGPRW-CQSZACIVSA-N 0 0 312.373 0.923 50 0 DCAARN CCOCCCNC(=O)[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000581792297 760252713 /nfs/dbraw/zinc/25/27/13/760252713.db2.gz FQPNFFPZUUYXPV-GFCCVEGCSA-N 0 0 308.382 0.149 50 0 DCAARN O=C(c1ccc(-n2cccc2)cc1)N1CC(N2C(=O)CNC2=O)C1 ZINC000585330797 768080761 /nfs/dbraw/zinc/08/07/61/768080761.db2.gz PSWBAHLTALQHLU-UHFFFAOYSA-N 0 0 324.340 0.854 50 0 DCAARN CCCCCOCC(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000584908135 766237685 /nfs/dbraw/zinc/23/76/85/766237685.db2.gz GLJGDYIDXKWYMT-GFCCVEGCSA-N 0 0 306.428 0.863 50 0 DCAARN C[C@@]1(C(=O)NCC[S@@](=O)C(F)(F)F)CCC(=O)NC1 ZINC000585128159 766290559 /nfs/dbraw/zinc/29/05/59/766290559.db2.gz UJHVKKGOLNACRI-AYLIAGHASA-N 0 0 300.302 0.287 50 0 DCAARN CC(=O)Nc1c[nH]c(=O)c(C(=O)NCc2cnn(C)c2C)c1 ZINC000585132019 766292795 /nfs/dbraw/zinc/29/27/95/766292795.db2.gz MTIZHFNRFCARSC-UHFFFAOYSA-N 0 0 303.322 0.718 50 0 DCAARN CC(=O)N[C@H]1CCN(c2ncnc3c2nnn3C)C12CCCC2 ZINC000585137532 766293850 /nfs/dbraw/zinc/29/38/50/766293850.db2.gz DHSLBJRLQXVEIL-NSHDSACASA-N 0 0 315.381 0.786 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000952860989 768921441 /nfs/dbraw/zinc/92/14/41/768921441.db2.gz VUFVFGZYYDMTHT-TZMCWYRMSA-N 0 0 315.329 0.513 50 0 DCAARN Cc1ccoc1Cn1nnnc1N1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000952880148 768945545 /nfs/dbraw/zinc/94/55/45/768945545.db2.gz CKGFQVVPNHFOHX-NHYWBVRUSA-N 0 0 316.365 0.715 50 0 DCAARN Cc1cnn([C@@H](C)c2nc(CC(N)=O)nn2CC(F)(F)F)c1 ZINC000952866863 768957290 /nfs/dbraw/zinc/95/72/90/768957290.db2.gz GRAJEMRZIYAQPQ-QMMMGPOBSA-N 0 0 316.287 0.982 50 0 DCAARN COCCC1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 ZINC001506408217 1017258383 /nfs/dbraw/zinc/25/83/83/1017258383.db2.gz CHZFXWZDTFNCFH-ZDUSSCGKSA-N 0 0 313.398 0.032 50 0 DCAARN O=C([O-])c1ccc(N2CC[N@H+](CC3CC3)[C@@H](CCO)C2)nn1 ZINC001506412745 1017260733 /nfs/dbraw/zinc/26/07/33/1017260733.db2.gz NTZKJROFZYQEKD-LBPRGKRZSA-N 0 0 306.366 0.458 50 0 DCAARN CCNC(=O)N1CCC(Nc2nc(N)nc3nc[nH]c32)CC1 ZINC001506421812 1017267395 /nfs/dbraw/zinc/26/73/95/1017267395.db2.gz LXUHCGXBHIVQOF-UHFFFAOYSA-N 0 0 304.358 0.541 50 0 DCAARN C[C@@H]1c2cccn2CCN1C(=O)Cc1c[nH]c(=O)n(C)c1=O ZINC001506427316 1017269776 /nfs/dbraw/zinc/26/97/76/1017269776.db2.gz LXHIEZFIWXUDHY-SNVBAGLBSA-N 0 0 302.334 0.433 50 0 DCAARN CN1CCN([C@@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 ZINC000095482812 185373860 /nfs/dbraw/zinc/37/38/60/185373860.db2.gz NWOMSTPRGGWEKV-OAHLLOKOSA-N 0 0 301.390 0.604 50 0 DCAARN O=C(NCCc1nnc[nH]1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000081763444 192322120 /nfs/dbraw/zinc/32/21/20/192322120.db2.gz PDAREHBOQONBRG-AWEZNQCLSA-N 0 0 315.377 0.364 50 0 DCAARN COc1ccc(CN2CCN(c3nccc(N)n3)CC2=O)cc1 ZINC000095500545 185374848 /nfs/dbraw/zinc/37/48/48/185374848.db2.gz JEIDRMPRIWLZIA-UHFFFAOYSA-N 0 0 313.361 0.916 50 0 DCAARN CCN1CC2(CC1=O)CCN(C(=O)CCn1nnnc1C)CC2 ZINC000095501349 185375059 /nfs/dbraw/zinc/37/50/59/185375059.db2.gz GFDJFQRBSWIIBL-UHFFFAOYSA-N 0 0 320.397 0.233 50 0 DCAARN CCOc1cccc(N2C(=O)C[C@@H](N3CCN(C)CC3)C2=O)c1 ZINC000095528657 185378340 /nfs/dbraw/zinc/37/83/40/185378340.db2.gz NBKGAKMTUDNFLU-OAHLLOKOSA-N 0 0 317.389 0.965 50 0 DCAARN O=C(/C=C\c1ccc2c(c1)OCCCO2)N1CCNC(=O)C1 ZINC000096639863 185384685 /nfs/dbraw/zinc/38/46/85/185384685.db2.gz NONFTVQQVATWGN-HYXAFXHYSA-N 0 0 302.330 0.820 50 0 DCAARN COc1c(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(C)nn1C ZINC000078895942 185124871 /nfs/dbraw/zinc/12/48/71/185124871.db2.gz TVQUWRQKKDQEEP-YPMHNXCESA-N 0 0 322.409 0.530 50 0 DCAARN CCC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000078933824 185131276 /nfs/dbraw/zinc/13/12/76/185131276.db2.gz DEJSUEMXYSTDSN-QWHCGFSZSA-N 0 0 307.394 0.974 50 0 DCAARN Cc1nc(CN2CCN(CC(=O)N3CCC(C)CC3)CC2)no1 ZINC000079311549 185164435 /nfs/dbraw/zinc/16/44/35/185164435.db2.gz DASWRUGEPQXCFL-UHFFFAOYSA-N 0 0 321.425 0.754 50 0 DCAARN Nc1ncnc2c1ncn2CCN1C(=O)c2ccccc2C1=O ZINC000307398100 231092980 /nfs/dbraw/zinc/09/29/80/231092980.db2.gz XRMKGQLMYJAVJU-UHFFFAOYSA-N 0 0 308.301 0.705 50 0 DCAARN CC(=O)N[C@@H]1CCCN(C(=O)NCc2nnc3ccccn32)C1 ZINC000089954660 185271586 /nfs/dbraw/zinc/27/15/86/185271586.db2.gz TWDZPQKVPQHXQZ-GFCCVEGCSA-N 0 0 316.365 0.539 50 0 DCAARN COCCNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n1C ZINC000002434985 190616114 /nfs/dbraw/zinc/61/61/14/190616114.db2.gz LFAAUOYEEHONCX-UHFFFAOYSA-N 0 0 314.345 0.871 50 0 DCAARN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CN2CCOC2=O)on1 ZINC000095390861 185351641 /nfs/dbraw/zinc/35/16/41/185351641.db2.gz SZQFWMXDJWRKBA-PWSUYJOCSA-N 0 0 309.322 0.109 50 0 DCAARN CCO[C@@H]1C[C@H](O)C12CCN(c1nccn3cnnc13)CC2 ZINC000095404355 185355379 /nfs/dbraw/zinc/35/53/79/185355379.db2.gz RROWUFNPGAOMKT-NWDGAFQWSA-N 0 0 303.366 0.881 50 0 DCAARN Cn1ccnc1C[C@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C)C2)C1 ZINC000095424944 185361536 /nfs/dbraw/zinc/36/15/36/185361536.db2.gz LXMKEDLGRWSKNS-OLZOCXBDSA-N 0 0 319.409 0.615 50 0 DCAARN COC(=O)c1ccc2nn(Cc3c(C)noc3C)c(=O)n2c1 ZINC000095432562 185363830 /nfs/dbraw/zinc/36/38/30/185363830.db2.gz MGUWGICTHMHUAD-UHFFFAOYSA-N 0 0 302.290 0.936 50 0 DCAARN O=C1CC[C@H](NS(=O)(=O)c2cccc3cccnc32)C(=O)N1 ZINC000095443788 185366975 /nfs/dbraw/zinc/36/69/75/185366975.db2.gz KBXZJIXIIGAXME-JTQLQIEISA-N 0 0 319.342 0.318 50 0 DCAARN O=C(Nc1cccnc1N1CCCC1)N1C[C@H](O)C[C@H]1CO ZINC000095445356 185367331 /nfs/dbraw/zinc/36/73/31/185367331.db2.gz GNQOIFNJFKRQKC-NWDGAFQWSA-N 0 0 306.366 0.641 50 0 DCAARN COc1cc(F)c(NCc2cn(C)c(=O)n(C)c2=O)cc1OC ZINC000097022837 185398516 /nfs/dbraw/zinc/39/85/16/185398516.db2.gz COBSBRXCLMDNHJ-UHFFFAOYSA-N 0 0 323.324 0.852 50 0 DCAARN Cc1ccc(CN(C)C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)o1 ZINC000103349772 185447682 /nfs/dbraw/zinc/44/76/82/185447682.db2.gz AGVCUFRSDGWDBI-VURMDHGXSA-N 0 0 317.345 0.657 50 0 DCAARN CN(C)c1nsc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)n1 ZINC000299802483 282335173 /nfs/dbraw/zinc/33/51/73/282335173.db2.gz WZHWVDYGSHYSTK-UWVGGRQHSA-N 0 0 307.383 0.546 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)NCC2CSC2)cn1 ZINC000408522236 530028126 /nfs/dbraw/zinc/02/81/26/530028126.db2.gz FTCOPGUOYLHHRP-UHFFFAOYSA-N 0 0 301.393 0.083 50 0 DCAARN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000170599814 197784115 /nfs/dbraw/zinc/78/41/15/197784115.db2.gz FWVLEPXUGZGQRQ-PWSUYJOCSA-N 0 0 311.382 0.289 50 0 DCAARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)n(C)c1=O ZINC000064966929 190706084 /nfs/dbraw/zinc/70/60/84/190706084.db2.gz DKNTWZNJALBFHG-SECBINFHSA-N 0 0 320.324 0.599 50 0 DCAARN Cc1ccc2c(n1)n(CC(N)=O)cc(C(=O)N1CCCC1)c2=O ZINC000064963750 190706426 /nfs/dbraw/zinc/70/64/26/190706426.db2.gz KCLTXPPLVQKWHY-UHFFFAOYSA-N 0 0 314.345 0.426 50 0 DCAARN COc1ccc(C)cc1NC(=O)C(=O)NCC1(O)CCOCC1 ZINC000070639009 190908686 /nfs/dbraw/zinc/90/86/86/190908686.db2.gz SOSBZKBKGFAATA-UHFFFAOYSA-N 0 0 322.361 0.600 50 0 DCAARN CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000083613582 192375952 /nfs/dbraw/zinc/37/59/52/192375952.db2.gz GDFINXVOAHELGV-SCZZXKLOSA-N 0 0 304.318 0.486 50 0 DCAARN COc1cccc(F)c1C(=O)NCCCNS(C)(=O)=O ZINC000083975808 192393235 /nfs/dbraw/zinc/39/32/35/192393235.db2.gz YSAONHVWKCHLES-UHFFFAOYSA-N 0 0 304.343 0.503 50 0 DCAARN Cc1nnsc1CN(C)c1ccnc(C(=O)NCCO)c1 ZINC000071712039 191010925 /nfs/dbraw/zinc/01/09/25/191010925.db2.gz WTRDMJCJFZIKII-UHFFFAOYSA-N 0 0 307.379 0.600 50 0 DCAARN O=C(NCc1scnc1-c1ccccc1)[C@@H]1CNCC(=O)N1 ZINC000071752418 191024242 /nfs/dbraw/zinc/02/42/42/191024242.db2.gz DOIKJOCRASKVDM-NSHDSACASA-N 0 0 316.386 0.514 50 0 DCAARN Cc1cccc(CN2CCN(C(=O)c3nc(N)n[nH]3)CC2=O)c1 ZINC000071763655 191027835 /nfs/dbraw/zinc/02/78/35/191027835.db2.gz NAYJXOXTBKDBNN-UHFFFAOYSA-N 0 0 314.349 0.180 50 0 DCAARN COc1ccc(CCC(=O)N2CCCN(CC(N)=O)CC2)cc1 ZINC000071829402 191031151 /nfs/dbraw/zinc/03/11/51/191031151.db2.gz MCIXDGJUKXKMKG-UHFFFAOYSA-N 0 0 319.405 0.647 50 0 DCAARN O=C(COc1ccc2c(c1)OCO2)N1CCC[C@](O)(CO)CC1 ZINC000072132963 191045470 /nfs/dbraw/zinc/04/54/70/191045470.db2.gz JRHJQBJFQDKSKR-MRXNPFEDSA-N 0 0 323.345 0.530 50 0 DCAARN CCc1nc(C)ccc1OCC(=O)N1CCC[C@](O)(CO)C1 ZINC000072134764 191046140 /nfs/dbraw/zinc/04/61/40/191046140.db2.gz DCVJEPNVOZLERC-MRXNPFEDSA-N 0 0 308.378 0.677 50 0 DCAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1)NC1CC1 ZINC000072148784 191054454 /nfs/dbraw/zinc/05/44/54/191054454.db2.gz NHTOVABXNREFTC-CQSZACIVSA-N 0 0 305.353 0.795 50 0 DCAARN COc1nc(C)cc(C)c1CNC(=O)C[C@@H]1C(=O)NCCN1C ZINC000072148706 191054625 /nfs/dbraw/zinc/05/46/25/191054625.db2.gz XOIWFHGWRSWZPW-CYBMUJFWSA-N 0 0 320.393 0.144 50 0 DCAARN CS(=O)(=O)c1ccc(CN2CCC[C@@](O)(CO)CC2)cc1 ZINC000072148195 191054850 /nfs/dbraw/zinc/05/48/50/191054850.db2.gz XJTJVKRXLQBJKY-HNNXBMFYSA-N 0 0 313.419 0.799 50 0 DCAARN O=C(NCc1ccncc1)[C@H]1CN(c2ncc(F)cn2)CCN1 ZINC000072154150 191059981 /nfs/dbraw/zinc/05/99/81/191059981.db2.gz WRHYUIJRHNYWOT-CYBMUJFWSA-N 0 0 316.340 0.105 50 0 DCAARN CCn1ccc(C(=O)N2CCC[C@@]3(CNC(=O)O3)CC2)cc1=O ZINC000072157671 191061037 /nfs/dbraw/zinc/06/10/37/191061037.db2.gz BNFBLDCWESKBJR-INIZCTEOSA-N 0 0 319.361 0.973 50 0 DCAARN CSCc1noc(Cn2ncc(N3CCOCC3)cc2=O)n1 ZINC000072164114 191064106 /nfs/dbraw/zinc/06/41/06/191064106.db2.gz CVRDXLMOKSBLRM-UHFFFAOYSA-N 0 0 323.378 0.374 50 0 DCAARN CC(C)CC(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 ZINC000072168037 191066274 /nfs/dbraw/zinc/06/62/74/191066274.db2.gz KNCXCRCTZMEEMJ-AWEZNQCLSA-N 0 0 322.409 0.538 50 0 DCAARN Cc1nc(C)c(CC(=O)N2CCC[C@]3(CNC(=O)O3)C2)c(=O)[nH]1 ZINC000072167080 191067308 /nfs/dbraw/zinc/06/73/08/191067308.db2.gz MXRDDDALDQNWIM-HNNXBMFYSA-N 0 0 320.349 0.030 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(c2ccc3cc[nH]c3n2)CC1 ZINC000072172383 191069029 /nfs/dbraw/zinc/06/90/29/191069029.db2.gz AMYWBODJOROBQP-UHFFFAOYSA-N 0 0 309.395 0.491 50 0 DCAARN CC(C)C(=O)NCC[C@@H]1CN(c2cnn(C)c(=O)c2)CCO1 ZINC000072172788 191070107 /nfs/dbraw/zinc/07/01/07/191070107.db2.gz LFYRQQZHCBKIKL-CYBMUJFWSA-N 0 0 308.382 0.148 50 0 DCAARN CN1C(=O)CO[C@@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1 ZINC000072237923 191081485 /nfs/dbraw/zinc/08/14/85/191081485.db2.gz LPXNOBPHHLOIIU-HUUCEWRRSA-N 0 0 304.346 0.444 50 0 DCAARN COC(=O)c1cc(C)nc(N2CCN(c3ncccn3)CC2)n1 ZINC000072240738 191084003 /nfs/dbraw/zinc/08/40/03/191084003.db2.gz PHOJKQXXNQRFAY-UHFFFAOYSA-N 0 0 314.349 0.688 50 0 DCAARN COc1ccc([C@@H]2[C@@H](C(=O)NCCO)CCC(=O)N2C)cc1 ZINC000072241996 191085103 /nfs/dbraw/zinc/08/51/03/191085103.db2.gz DSXYKMVGHXBEMK-DZGCQCFKSA-N 0 0 306.362 0.713 50 0 DCAARN CCn1nc(C(=O)N2CCC[C@H](n3cncn3)C2)ccc1=O ZINC000072277483 191098000 /nfs/dbraw/zinc/09/80/00/191098000.db2.gz OENNPXKMWHLCBO-NSHDSACASA-N 0 0 302.338 0.332 50 0 DCAARN Cc1cc(C)n(-c2cncc(N3CCC[C@@H](C(N)=O)C3)n2)n1 ZINC000072283097 191104257 /nfs/dbraw/zinc/10/42/57/191104257.db2.gz WGXNDIPCIBRUTE-GFCCVEGCSA-N 0 0 300.366 0.981 50 0 DCAARN COC(=O)[C@@H](c1ccccc1)N(C)C(=O)C1=NN(C)C(=O)CC1 ZINC000072290115 191108745 /nfs/dbraw/zinc/10/87/45/191108745.db2.gz AMMTVFLWJIFICD-CQSZACIVSA-N 0 0 317.345 0.967 50 0 DCAARN CC(C)N1C[C@H](NC(=O)NC[C@H](C)Cn2cccn2)CC1=O ZINC000072293214 191109810 /nfs/dbraw/zinc/10/98/10/191109810.db2.gz QRGLDEYEGVXLIJ-QWHCGFSZSA-N 0 0 307.398 0.828 50 0 DCAARN CCCc1occc1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC ZINC000225605761 186282856 /nfs/dbraw/zinc/28/28/56/186282856.db2.gz CDHSHYOMZTZRIS-GFCCVEGCSA-N 0 0 321.377 0.699 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCc3nn(C)c(=O)cc3C2)on1 ZINC000072302323 191114944 /nfs/dbraw/zinc/11/49/44/191114944.db2.gz ZHRQLSSDFFPMPF-SNVBAGLBSA-N 0 0 317.349 0.462 50 0 DCAARN COC(=O)[C@H]1CC12CCN(C(=O)[C@@]1(C)CCC(=O)NC1)CC2 ZINC000253395502 186305151 /nfs/dbraw/zinc/30/51/51/186305151.db2.gz VWNFXHXBXOZECC-ABAIWWIYSA-N 0 0 308.378 0.704 50 0 DCAARN COC(=O)c1cn(-c2ccc(CCO)cc2)cc2c(=O)[nH]nc1-2 ZINC000253408613 186308942 /nfs/dbraw/zinc/30/89/42/186308942.db2.gz KXADIVRIRXOFRK-UHFFFAOYSA-N 0 0 313.313 0.987 50 0 DCAARN C[N@H+](CCO)C[C@@H](CC(=O)Nc1ccc(Cl)nc1)C(=O)[O-] ZINC000072405440 191151618 /nfs/dbraw/zinc/15/16/18/191151618.db2.gz YVPFAXQBXAKVNS-SECBINFHSA-N 0 0 315.757 0.689 50 0 DCAARN Cc1nn(C)c2nc(C)nc(NCCN(C)S(C)(=O)=O)c12 ZINC000072432795 191163949 /nfs/dbraw/zinc/16/39/49/191163949.db2.gz REBWQAQJGFLEIL-UHFFFAOYSA-N 0 0 312.399 0.283 50 0 DCAARN Cc1ccc(N2CCN(C(=O)COc3ncccn3)CC2)nn1 ZINC000072442495 191167511 /nfs/dbraw/zinc/16/75/11/191167511.db2.gz WOEGVONKMUXVTA-UHFFFAOYSA-N 0 0 314.349 0.303 50 0 DCAARN Cn1cc(CC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cn1 ZINC000331810186 234148487 /nfs/dbraw/zinc/14/84/87/234148487.db2.gz VNRRJENLELJEIJ-CYBMUJFWSA-N 0 0 319.386 0.998 50 0 DCAARN Cn1cc(I)c(C(=O)n2cccn2)n1 ZINC000000483565 180804580 /nfs/dbraw/zinc/80/45/80/180804580.db2.gz GGAVWTZJWJBGTN-UHFFFAOYSA-N 0 0 302.075 0.910 50 0 DCAARN CCOCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C ZINC000001785885 180896296 /nfs/dbraw/zinc/89/62/96/180896296.db2.gz XFYPSGBYRVFWLQ-UHFFFAOYSA-N 0 0 317.143 0.222 50 0 DCAARN COc1cc([C@H]2CC3(C)NC(=O)C2C(=O)N3)cc(OC)c1OC ZINC000001864264 180899934 /nfs/dbraw/zinc/89/99/34/180899934.db2.gz RMOFNLPICOFCTQ-KADTZOLHSA-N 0 0 320.345 0.778 50 0 biogenic DCAARN O=C(COc1ccc(-n2cnnn2)cc1)NCC(F)(F)F ZINC000003323803 181005378 /nfs/dbraw/zinc/00/53/78/181005378.db2.gz HGDMUTQKLAJURV-UHFFFAOYSA-N 0 0 301.228 0.720 50 0 DCAARN Cc1cc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)no1 ZINC000003309917 181002805 /nfs/dbraw/zinc/00/28/05/181002805.db2.gz OCEZJTJAJHRHDA-UHFFFAOYSA-N 0 0 321.314 0.766 50 0 DCAARN O=C(Cn1ncc(Cl)c(Cl)c1=O)NC[C@H]1CCCO1 ZINC000003344026 181009349 /nfs/dbraw/zinc/00/93/49/181009349.db2.gz MDWFPVJSBLOJOK-SSDOTTSWSA-N 0 0 306.149 0.845 50 0 DCAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)NC(N)=O ZINC000003352019 181010527 /nfs/dbraw/zinc/01/05/27/181010527.db2.gz SZCXBQFJHUCSMX-SSDOTTSWSA-N 0 0 306.347 0.609 50 0 DCAARN C[C@@H](NC(=O)c1cnccn1)c1ccc(S(N)(=O)=O)cc1 ZINC000003418162 181017127 /nfs/dbraw/zinc/01/71/27/181017127.db2.gz DQHYEBMDCUTQAQ-SECBINFHSA-N 0 0 306.347 0.615 50 0 DCAARN CC(=O)Nc1cccc(C(=O)OCC(=O)N2CCCC2=O)c1 ZINC000003521374 181029944 /nfs/dbraw/zinc/02/99/44/181029944.db2.gz XWEXCFZKQCQPGD-UHFFFAOYSA-N 0 0 304.302 0.951 50 0 DCAARN CCOCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000004034385 181064954 /nfs/dbraw/zinc/06/49/54/181064954.db2.gz PAAKJIUUGLTPCY-GFCCVEGCSA-N 0 0 306.428 0.591 50 0 DCAARN Cn1c(=O)cc(N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O ZINC000004033782 181065265 /nfs/dbraw/zinc/06/52/65/181065265.db2.gz FFLWWDFVIGFWRE-UHFFFAOYSA-N 0 0 304.325 0.539 50 0 DCAARN O=C(CN1C(=O)CCC1=O)Nc1nnc(-c2ccncc2)o1 ZINC000004107502 181073855 /nfs/dbraw/zinc/07/38/55/181073855.db2.gz YIOOFVPUMIAAAJ-UHFFFAOYSA-N 0 0 301.262 0.219 50 0 DCAARN CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1 ZINC000004195900 181083929 /nfs/dbraw/zinc/08/39/29/181083929.db2.gz DFCUCTBFCBDRLO-VIFPVBQESA-N 0 0 309.434 0.946 50 0 aggregator DCAARN CCn1c(=O)c2c(nc3n(CCOC)c(C)c(C)n32)n(C)c1=O ZINC000004314347 181096574 /nfs/dbraw/zinc/09/65/74/181096574.db2.gz OLNJKMNGVHCNPU-UHFFFAOYSA-N 0 0 319.365 0.433 50 0 DCAARN CCOC(=O)C1=C2C(=O)N(c3ccccc3)C(=O)[C@@]2(C)NN1 ZINC000004719447 181141843 /nfs/dbraw/zinc/14/18/43/181141843.db2.gz WQEXMDGFLAILTH-BONVTDFDSA-N 0 0 301.302 0.457 50 0 DCAARN Cc1cc(=O)n(C)c2ccc(S(=O)(=O)N3CCOCC3)cc12 ZINC000004742982 181146235 /nfs/dbraw/zinc/14/62/35/181146235.db2.gz CSBUJGZMAKYKSE-UHFFFAOYSA-N 0 0 322.386 0.868 50 0 DCAARN Cn1ncc2c1ncn(CC(=O)Nc1ccc3n[nH]cc3c1)c2=O ZINC000073572927 191328386 /nfs/dbraw/zinc/32/83/86/191328386.db2.gz GRUXSBSNLMGJGB-UHFFFAOYSA-N 0 0 323.316 0.645 50 0 DCAARN Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1c[nH]cn1 ZINC000004955470 181178731 /nfs/dbraw/zinc/17/87/31/181178731.db2.gz QQOFYDLUGVGDRQ-UHFFFAOYSA-N 0 0 308.363 0.977 50 0 DCAARN COC(=O)CN(CCN1CCOCC1)C(=O)c1cc(C)oc1C ZINC000075136870 191429179 /nfs/dbraw/zinc/42/91/79/191429179.db2.gz IRRFFAPJJFDBHY-UHFFFAOYSA-N 0 0 324.377 0.844 50 0 DCAARN CCOC(=O)C(=O)N1CCN(C(=O)/C=C/c2ccsc2)CC1 ZINC000075141510 191431819 /nfs/dbraw/zinc/43/18/19/191431819.db2.gz UZKOJVODPQUBKN-ONEGZZNKSA-N 0 0 322.386 0.995 50 0 DCAARN O=C(c1cnc(-c2cccnc2)nc1)N1CCOC[C@H](CO)C1 ZINC000077344192 191696731 /nfs/dbraw/zinc/69/67/31/191696731.db2.gz LCOPZSYNFVFWEU-LBPRGKRZSA-N 0 0 314.345 0.620 50 0 DCAARN CCCC[C@@H]1C(=O)N(C)CCN1Cc1nc(C(=O)NC)no1 ZINC000077521744 191731187 /nfs/dbraw/zinc/73/11/87/191731187.db2.gz SVRYWRTZBPTKSZ-SNVBAGLBSA-N 0 0 309.370 0.262 50 0 DCAARN CN1CCN(NC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000005123266 181206291 /nfs/dbraw/zinc/20/62/91/181206291.db2.gz GNJSHXFTYFDFGW-ZDUSSCGKSA-N 0 0 317.393 0.254 50 0 DCAARN CCc1nc2c([nH]c(=O)n2-c2ccccc2F)c(C(N)=O)n1 ZINC000005271104 181225015 /nfs/dbraw/zinc/22/50/15/181225015.db2.gz IRFWXQYBAOOVEL-UHFFFAOYSA-N 0 0 301.281 0.909 50 0 DCAARN COC(=O)CNC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000032124202 291087899 /nfs/dbraw/zinc/08/78/99/291087899.db2.gz JYVCLRKPMOCKPP-NSHDSACASA-N 0 0 319.317 0.456 50 0 biogenic DCAARN CC(C)OCCNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000184128111 199676933 /nfs/dbraw/zinc/67/69/33/199676933.db2.gz XJTWKIDHIQAZTG-GFCCVEGCSA-N 0 0 309.370 0.250 50 0 DCAARN O=C(N1CCOC[C@H]1CO)C1(c2ccccc2)CCOCC1 ZINC000085469677 192510671 /nfs/dbraw/zinc/51/06/71/192510671.db2.gz JNFOURUUHNPRCN-OAHLLOKOSA-N 0 0 305.374 0.955 50 0 DCAARN CN(C[C@H]1COCCO1)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000085473000 192512632 /nfs/dbraw/zinc/51/26/32/192512632.db2.gz JNMPITCBYZYDMN-NSHDSACASA-N 0 0 318.329 0.156 50 0 DCAARN COc1cc(F)ccc1N1CCN(C(=O)[C@H]2COCCN2)CC1 ZINC000237184594 202179932 /nfs/dbraw/zinc/17/99/32/202179932.db2.gz RGDWFOCHXTZJML-CYBMUJFWSA-N 0 0 323.368 0.471 50 0 DCAARN CNC(=O)Cn1cnc2c(nnn2-c2cc(C)cc(C)c2)c1=O ZINC000005057218 283342184 /nfs/dbraw/zinc/34/21/84/283342184.db2.gz RPPLKWKXSQADKC-UHFFFAOYSA-N 0 0 312.333 0.340 50 0 DCAARN COc1ccccc1N1CCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000237300925 202223627 /nfs/dbraw/zinc/22/36/27/202223627.db2.gz PPMYTTQNHIYJDD-ZDUSSCGKSA-N 0 0 305.378 0.332 50 0 DCAARN C[C@@H](NC(=O)Cn1cn[nH]c1=O)c1ccc2c(c1)CCC(=O)N2 ZINC000180561263 199176080 /nfs/dbraw/zinc/17/60/80/199176080.db2.gz NJIQRIXSYHSDLY-SECBINFHSA-N 0 0 315.333 0.334 50 0 DCAARN C[C@H](NC(=O)Cn1cn[nH]c1=O)c1ccc2c(c1)CCC(=O)N2 ZINC000180561247 199176418 /nfs/dbraw/zinc/17/64/18/199176418.db2.gz NJIQRIXSYHSDLY-VIFPVBQESA-N 0 0 315.333 0.334 50 0 DCAARN C[C@H](C(=O)[O-])[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000237713071 202334802 /nfs/dbraw/zinc/33/48/02/202334802.db2.gz PMTWYNFIQLTFLP-HZSPNIEDSA-N 0 0 311.426 0.582 50 0 DCAARN COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000006052068 181308723 /nfs/dbraw/zinc/30/87/23/181308723.db2.gz JTWYPNOWQYYELW-ONGXEEELSA-N 0 0 319.766 0.637 50 0 DCAARN COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000006052072 181308823 /nfs/dbraw/zinc/30/88/23/181308823.db2.gz JTWYPNOWQYYELW-MWLCHTKSSA-N 0 0 319.766 0.637 50 0 DCAARN CC(=O)Nc1ccccc1NC(=O)CN1CCNC(=O)CC1 ZINC000244602032 202485247 /nfs/dbraw/zinc/48/52/47/202485247.db2.gz DWLDEWADDVZJGT-UHFFFAOYSA-N 0 0 304.350 0.405 50 0 DCAARN O=S(=O)(c1cccnc1)N1CCN(c2cnccn2)CC1 ZINC000006269261 181324964 /nfs/dbraw/zinc/32/49/64/181324964.db2.gz AZNZWZSFOSTMET-UHFFFAOYSA-N 0 0 305.363 0.383 50 0 DCAARN C/C=C/C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000006461294 181343013 /nfs/dbraw/zinc/34/30/13/181343013.db2.gz JRNDKUKAVNKFBZ-CDAZIORVSA-N 0 0 312.347 0.780 50 0 DCAARN CCCNC(=O)[C@H](C)NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000006540727 181352518 /nfs/dbraw/zinc/35/25/18/181352518.db2.gz BPFSURUAOACPNF-JTQLQIEISA-N 0 0 316.361 0.578 50 0 DCAARN CCCNC(=O)NC(=O)Cn1nnc(-c2cccc(OC)c2)n1 ZINC000006553565 181354412 /nfs/dbraw/zinc/35/44/12/181354412.db2.gz QWGRLYNANYXSEZ-UHFFFAOYSA-N 0 0 318.337 0.585 50 0 DCAARN CCn1nc(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C(=O)[O-])C2)cc1C ZINC000091459800 193059402 /nfs/dbraw/zinc/05/94/02/193059402.db2.gz NTKIATOZJWFTQZ-IAQYHMDHSA-N 0 0 306.366 0.300 50 0 DCAARN CCNc1ncc(C(=O)NCCNc2nc(C)cc(=O)[nH]2)cn1 ZINC000091452533 193058919 /nfs/dbraw/zinc/05/89/19/193058919.db2.gz PWMFDCKYLBZWGM-UHFFFAOYSA-N 0 0 317.353 0.142 50 0 DCAARN COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1nc(C)c[nH]1)C2 ZINC000091364866 193046205 /nfs/dbraw/zinc/04/62/05/193046205.db2.gz IXEAHQODLPFLEL-NWDGAFQWSA-N 0 0 306.366 0.428 50 0 DCAARN CC[C@H](C(=O)N1CCc2cc(C(N)=O)n(C)c2C1)n1cccn1 ZINC000091548402 193071554 /nfs/dbraw/zinc/07/15/54/193071554.db2.gz XXEKOQSULWUYJB-GFCCVEGCSA-N 0 0 315.377 0.857 50 0 DCAARN Cc1cc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)[nH]n1 ZINC000091616877 193079327 /nfs/dbraw/zinc/07/93/27/193079327.db2.gz HLPUEVQJXFWOSG-OLZOCXBDSA-N 0 0 309.366 0.083 50 0 DCAARN O=C(Cn1cnnc1)N1CC[C@]2(C1)CCCN(CC1CC1)C2=O ZINC000091476343 193061901 /nfs/dbraw/zinc/06/19/01/193061901.db2.gz XYUKEURRBGZBCK-INIZCTEOSA-N 0 0 317.393 0.529 50 0 DCAARN COCC[C@]1(C(=O)[O-])CCC[N@H+](Cc2cc(=O)[nH]c(C)n2)C1 ZINC000091646024 193084686 /nfs/dbraw/zinc/08/46/86/193084686.db2.gz MBZXYUUIKITRBS-OAHLLOKOSA-N 0 0 309.366 0.782 50 0 DCAARN Cc1nc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)no1 ZINC000091663067 193087303 /nfs/dbraw/zinc/08/73/03/193087303.db2.gz QACUILZNQOPJRR-UHFFFAOYSA-N 0 0 322.409 0.965 50 0 DCAARN COC[C@@H](O)CNC(=O)c1cnc(-c2ccccc2)[nH]c1=O ZINC000091680379 193090729 /nfs/dbraw/zinc/09/07/29/193090729.db2.gz ZVFIWDKGKOWVQS-NSHDSACASA-N 0 0 303.318 0.174 50 0 DCAARN Cn1cnc(CNC(=O)NCc2cccc3c2OCCCO3)n1 ZINC000091707070 193094757 /nfs/dbraw/zinc/09/47/57/193094757.db2.gz ZKIIUBVEQLUQPJ-UHFFFAOYSA-N 0 0 317.349 0.976 50 0 DCAARN Cc1cc(N2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)[O-])C2)cc[nH+]1 ZINC000091738355 193099983 /nfs/dbraw/zinc/09/99/83/193099983.db2.gz YAVXVVLMNXEJDX-LRDDRELGSA-N 0 0 318.377 0.894 50 0 DCAARN CCNc1ncc(C(=O)N2CCC(n3cnnc3)CC2)cn1 ZINC000091636951 193082773 /nfs/dbraw/zinc/08/27/73/193082773.db2.gz MUKKUYLLKDIRQN-UHFFFAOYSA-N 0 0 301.354 0.977 50 0 DCAARN COc1cc2c(cc1-c1cn([C@H]3CCNC3=O)nn1)OCO2 ZINC000091829252 193113597 /nfs/dbraw/zinc/11/35/97/193113597.db2.gz AENBWOCMUZTBNB-JTQLQIEISA-N 0 0 302.290 0.743 50 0 DCAARN CCC[C@H]1CN(C(C)=O)C[C@@H]1NS(=O)(=O)N1CCCC1 ZINC000091829897 193114547 /nfs/dbraw/zinc/11/45/47/193114547.db2.gz SXNKUQPFXCEUSK-STQMWFEESA-N 0 0 303.428 0.564 50 0 DCAARN Cc1[nH]ccc1C(=O)N[C@H]1CN(S(C)(=O)=O)C[C@@H]1C1CC1 ZINC000091950786 193130789 /nfs/dbraw/zinc/13/07/89/193130789.db2.gz DEZDWTUTKHKJOW-OLZOCXBDSA-N 0 0 311.407 0.723 50 0 DCAARN Cc1n[nH]c(C)c1C[NH+]1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C ZINC000091965907 193133546 /nfs/dbraw/zinc/13/35/46/193133546.db2.gz PVDUJRBERBLSHR-CYBMUJFWSA-N 0 0 320.393 0.924 50 0 DCAARN CN(C)[C@@H](C(=O)NCCS(C)(=O)=O)c1cccc(F)c1 ZINC000092037378 193144476 /nfs/dbraw/zinc/14/44/76/193144476.db2.gz VIFUOQKKEPUACA-GFCCVEGCSA-N 0 0 302.371 0.589 50 0 DCAARN CSCC[C@@H](O)C(=O)NCCc1nc(-c2ccccn2)no1 ZINC000215614619 201464233 /nfs/dbraw/zinc/46/42/33/201464233.db2.gz RPRBAYMEPCHUIL-LLVKDONJSA-N 0 0 322.390 0.904 50 0 DCAARN COCCNC(=O)Cn1ncc2c3cc(C)ccc3[nH]c2c1=O ZINC000006997527 181430650 /nfs/dbraw/zinc/43/06/50/181430650.db2.gz FSFSIMYEEKDVES-UHFFFAOYSA-N 0 0 314.345 0.949 50 0 DCAARN C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000058311239 296107172 /nfs/dbraw/zinc/10/71/72/296107172.db2.gz XMUOSFFOIQUWFL-MNOVXSKESA-N 0 0 323.418 0.994 50 0 DCAARN Nc1nnc(CNC(=O)c2nc3ccccc3[nH]c2=O)s1 ZINC000219108949 201549068 /nfs/dbraw/zinc/54/90/68/201549068.db2.gz VYTRAACZAJETPF-UHFFFAOYSA-N 0 0 302.319 0.287 50 0 DCAARN COCCN1C[C@@H](NC(=O)c2ccc(OC)c(F)c2)CC1=O ZINC000220589973 201577707 /nfs/dbraw/zinc/57/77/07/201577707.db2.gz BNQYSEUTLIVWPW-NSHDSACASA-N 0 0 310.325 0.811 50 0 DCAARN CC[C@@H](Cn1ccnc1)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000222457292 201611244 /nfs/dbraw/zinc/61/12/44/201611244.db2.gz FFCIIGKTSJPKQB-JTQLQIEISA-N 0 0 307.354 0.108 50 0 DCAARN CC[C@@H](C)[C@@H](CO)NC(=O)Cn1ncc2ccccc2c1=O ZINC000252507571 202857344 /nfs/dbraw/zinc/85/73/44/202857344.db2.gz WOTLTFYFQKBOCV-BXUZGUMPSA-N 0 0 303.362 0.920 50 0 DCAARN Cn1cc([C@@H](NC(=O)Cc2cccnc2)[C@H]2C[C@@H](O)C2)cn1 ZINC000252536133 202863174 /nfs/dbraw/zinc/86/31/74/202863174.db2.gz HQIIDDMUYZJVFW-BJJXKVORSA-N 0 0 300.362 0.986 50 0 DCAARN O=C([C@H]1CC[C@H](C(F)(F)F)NC1=O)N1CCc2n[nH]cc2C1 ZINC000408022812 296130304 /nfs/dbraw/zinc/13/03/04/296130304.db2.gz VNOZLNUIBIYPOF-WCBMZHEXSA-N 0 0 316.283 0.752 50 0 DCAARN C[C@H](C(=O)N1CCOCC1)N1CCN(Cc2cccn2C)CC1 ZINC000093057641 193199226 /nfs/dbraw/zinc/19/92/26/193199226.db2.gz CGLMFGVWBGHPBB-OAHLLOKOSA-N 0 0 320.437 0.390 50 0 DCAARN Cc1nc(CCN(C)C(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)no1 ZINC000095384753 193441059 /nfs/dbraw/zinc/44/10/59/193441059.db2.gz RGIGAMMVZGRMGH-GFCCVEGCSA-N 0 0 323.397 0.773 50 0 DCAARN CC(CO)(CO)C(=O)OCC(=O)Nc1ccc(Cl)cn1 ZINC000095976344 193471041 /nfs/dbraw/zinc/47/10/41/193471041.db2.gz KSRSWXHOIFZDEH-UHFFFAOYSA-N 0 0 302.714 0.208 50 0 DCAARN Cc1[nH]cc(C(=O)NC[C@H](C)CO)c(=O)c1Br ZINC000096004815 193486744 /nfs/dbraw/zinc/48/67/44/193486744.db2.gz CQKMDZPRNALSPM-LURJTMIESA-N 0 0 303.156 0.804 50 0 DCAARN C[C@@H](Sc1nnnn1C)C(=O)Nc1sccc1C(N)=O ZINC000008319530 181547086 /nfs/dbraw/zinc/54/70/86/181547086.db2.gz PQYBJCFKYUOTLU-RXMQYKEDSA-N 0 0 312.380 0.490 50 0 DCAARN Cc1cc(C)n2nc(C(=O)NCc3nnc4ccccn43)nc2n1 ZINC000008395542 181554516 /nfs/dbraw/zinc/55/45/16/181554516.db2.gz HIRYWDSAHJCKLK-UHFFFAOYSA-N 0 0 322.332 0.714 50 0 DCAARN O=S1(=O)C[C@H]2NC(=S)N(Cc3ccc(F)cc3)[C@@H]2C1 ZINC000009485500 181625190 /nfs/dbraw/zinc/62/51/90/181625190.db2.gz OQNXOTBWPVUGAS-GHMZBOCLSA-N 0 0 300.380 0.681 50 0 DCAARN C[C@H]1CN(C(=O)COc2cccc(-n3cnnn3)c2)CCO1 ZINC000010903379 181681537 /nfs/dbraw/zinc/68/15/37/181681537.db2.gz ISPICACCTSTPMQ-NSHDSACASA-N 0 0 303.322 0.288 50 0 DCAARN O=C(c1cccc(N2C(=O)CCS2(=O)=O)c1)N1CCOCC1 ZINC000012005797 181723374 /nfs/dbraw/zinc/72/33/74/181723374.db2.gz AVODGIKTWXTRBZ-UHFFFAOYSA-N 0 0 324.358 0.226 50 0 DCAARN CCN(CCn1cccn1)C(=O)[C@H]1CCC(=O)N(CCOC)C1 ZINC000012701514 181788303 /nfs/dbraw/zinc/78/83/03/181788303.db2.gz SCLUYKOVCUHRMN-AWEZNQCLSA-N 0 0 322.409 0.617 50 0 DCAARN COCC(=O)NC1CN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000274888725 212011924 /nfs/dbraw/zinc/01/19/24/212011924.db2.gz FNOCNONKSCUCGE-UHFFFAOYSA-N 0 0 304.393 0.192 50 0 DCAARN CCOC(=O)CN1CCN(Cc2ccc(C)cc2)C(=O)C1=O ZINC000015864685 182022246 /nfs/dbraw/zinc/02/22/46/182022246.db2.gz UBXUVOXUHAOCPX-UHFFFAOYSA-N 0 0 304.346 0.729 50 0 DCAARN Cc1cc(C)cc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000015952029 182025919 /nfs/dbraw/zinc/02/59/19/182025919.db2.gz RWWVFPDIHOSVCR-UHFFFAOYSA-N 0 0 309.347 0.789 50 0 DCAARN CCOc1ccc(S(=O)(=O)N[C@H](C)C(N)=O)cc1Cl ZINC000016527273 182048087 /nfs/dbraw/zinc/04/80/87/182048087.db2.gz IJUWMXLNELHINP-SSDOTTSWSA-N 0 0 306.771 0.891 50 0 DCAARN CS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000016527346 182048791 /nfs/dbraw/zinc/04/87/91/182048791.db2.gz LIKWFEMNKSMMTD-SNVBAGLBSA-N 0 0 319.404 0.547 50 0 DCAARN CCN(CC)S(=O)(=O)c1ccc(OCC(N)=O)c(C)c1 ZINC000016651901 182056907 /nfs/dbraw/zinc/05/69/07/182056907.db2.gz HVAWTOYCYZPKFI-UHFFFAOYSA-N 0 0 300.380 0.890 50 0 DCAARN O=C1OCC[C@@H]1N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000016978654 182067374 /nfs/dbraw/zinc/06/73/74/182067374.db2.gz LYNNVRYRCSDSQX-ZDUSSCGKSA-N 0 0 310.375 0.308 50 0 DCAARN CCOC(=O)C1=C(COC(=O)c2ccc(O)cc2)NC(=O)NC1 ZINC000018321431 182101444 /nfs/dbraw/zinc/10/14/44/182101444.db2.gz PVLVKHHCMHUSEJ-UHFFFAOYSA-N 0 0 320.301 0.679 50 0 DCAARN CCOC(=O)CCNC(=O)N1CCC[C@H](N2CCOCC2)C1 ZINC000019224065 182108483 /nfs/dbraw/zinc/10/84/83/182108483.db2.gz VNIDMQSASMDCEG-ZDUSSCGKSA-N 0 0 313.398 0.446 50 0 DCAARN CCc1ccc(OC[C@@H](O)CN2CCN(CCO)CC2)cc1 ZINC000019522909 182127574 /nfs/dbraw/zinc/12/75/74/182127574.db2.gz UOUZBTMSIFDMTF-INIZCTEOSA-N 0 0 308.422 0.599 50 0 DCAARN O=C(NC(=S)NCCN1CCOCC1)c1ccc(F)cc1 ZINC000019883871 182160673 /nfs/dbraw/zinc/16/06/73/182160673.db2.gz HXZRQXZJJKDDHC-UHFFFAOYSA-N 0 0 311.382 0.762 50 0 DCAARN COCCNC(=O)CN1CCN(Cc2ccc(C)cc2)C1=O ZINC000020179057 182194538 /nfs/dbraw/zinc/19/45/38/182194538.db2.gz MFNTVYFZRNHJQC-UHFFFAOYSA-N 0 0 305.378 0.995 50 0 DCAARN Cc1ocnc1C(=O)NCC[C@@H]1CCCCN1S(C)(=O)=O ZINC000097679974 193746176 /nfs/dbraw/zinc/74/61/76/193746176.db2.gz KKUHCGCJCCQWHL-NSHDSACASA-N 0 0 315.395 0.917 50 0 DCAARN COc1ccccc1NC(=O)C[C@@H]([NH2+]CCN(C)C)C(=O)[O-] ZINC000020362809 182211758 /nfs/dbraw/zinc/21/17/58/182211758.db2.gz JUHRKQCWPGLEAC-GFCCVEGCSA-N 0 0 309.366 0.628 50 0 DCAARN CN1CCN(C2=N[C@@H](C(=O)Nc3ccccc3)CC(=O)N2)CC1 ZINC000020419277 182215930 /nfs/dbraw/zinc/21/59/30/182215930.db2.gz LSJICHAQRDGWSD-CYBMUJFWSA-N 0 0 315.377 0.117 50 0 DCAARN CC[C@H](C)[C@H](NC(=O)NCCN1CCOCC1)C(=O)OC ZINC000020440729 182218138 /nfs/dbraw/zinc/21/81/38/182218138.db2.gz NHINASDRTMXAOA-RYUDHWBXSA-N 0 0 301.387 0.206 50 0 DCAARN O=C(NCCCO)c1nc(COc2ccc3c(c2)OCO3)no1 ZINC000020714560 182242810 /nfs/dbraw/zinc/24/28/10/182242810.db2.gz KYBARTLQIYROLU-UHFFFAOYSA-N 0 0 321.289 0.490 50 0 DCAARN O=C(NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C1CC1 ZINC000020735873 182244847 /nfs/dbraw/zinc/24/48/47/182244847.db2.gz JKKFOSUNFUYZCI-ZDUSSCGKSA-N 0 0 315.373 0.682 50 0 DCAARN CCN1C[C@@H](NC(=O)c2cnc3ccccn3c2=O)CC1=O ZINC000020858132 182249174 /nfs/dbraw/zinc/24/91/74/182249174.db2.gz XISXNKCAQLZGCK-JTQLQIEISA-N 0 0 300.318 0.045 50 0 DCAARN Cn1cccc1C(=O)N1CCC[C@H](Cn2cc(CO)nn2)C1 ZINC000020996670 182258157 /nfs/dbraw/zinc/25/81/57/182258157.db2.gz PHOKLYPFBSTPOW-LBPRGKRZSA-N 0 0 303.366 0.661 50 0 DCAARN CN(CC(=O)Nc1nncs1)S(=O)(=O)c1cccs1 ZINC000021214546 182269554 /nfs/dbraw/zinc/26/95/54/182269554.db2.gz QGWABHAZKYZGRZ-UHFFFAOYSA-N 0 0 318.405 0.859 50 0 DCAARN O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-n2cnnn2)cc1 ZINC000021523397 182278314 /nfs/dbraw/zinc/27/83/14/182278314.db2.gz XLJHFFWLASKJKG-NSHDSACASA-N 0 0 309.351 0.120 50 0 DCAARN C[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccc(S(N)(=O)=O)cc1 ZINC000021910981 182298223 /nfs/dbraw/zinc/29/82/23/182298223.db2.gz AVHIARSUNNSBKM-SECBINFHSA-N 0 0 321.358 0.513 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1Cc1cc(-c2ccco2)on1 ZINC000021842393 182295073 /nfs/dbraw/zinc/29/50/73/182295073.db2.gz FHUOASBZAFGKFH-NSHDSACASA-N 0 0 319.317 0.798 50 0 DCAARN O=C(COc1cccnc1)N1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000023431035 182360467 /nfs/dbraw/zinc/36/04/67/182360467.db2.gz IXTGANFVTYOJMU-LBPRGKRZSA-N 0 0 314.345 0.950 50 0 DCAARN CC(=O)N[C@H](C(=O)OCc1cc(=O)n2ccsc2n1)C(C)C ZINC000023970645 182370578 /nfs/dbraw/zinc/37/05/78/182370578.db2.gz ZXANDGFJSPVANX-LBPRGKRZSA-N 0 0 323.374 0.960 50 0 DCAARN COCCN1C[C@H](C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1=O ZINC000024759469 182390090 /nfs/dbraw/zinc/39/00/90/182390090.db2.gz BFLDGKNBXNHMKS-SECBINFHSA-N 0 0 318.333 0.290 50 0 DCAARN Cc1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cn1 ZINC000024685414 182387699 /nfs/dbraw/zinc/38/76/99/182387699.db2.gz FJPGZSRRMMIKIU-CYBMUJFWSA-N 0 0 311.407 0.934 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000025023825 182399726 /nfs/dbraw/zinc/39/97/26/182399726.db2.gz ZVEXHNPBLUMVPG-CYBMUJFWSA-N 0 0 315.329 0.672 50 0 DCAARN O=C(Nc1ccncc1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000025600166 182417790 /nfs/dbraw/zinc/41/77/90/182417790.db2.gz OBBJCKZXTHFXGC-UHFFFAOYSA-N 0 0 324.348 0.769 50 0 DCAARN COc1cc(C)c(S(=O)(=O)N2CCNC(=O)C2)cc1OC ZINC000027946146 182499273 /nfs/dbraw/zinc/49/92/73/182499273.db2.gz QKZAOOUYPRYYHK-UHFFFAOYSA-N 0 0 314.363 0.133 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)CC2CCCC2)CC1 ZINC000029664266 182573574 /nfs/dbraw/zinc/57/35/74/182573574.db2.gz YDHSRJNSZIDZRK-LBPRGKRZSA-N 0 0 324.425 0.555 50 0 DCAARN O=C1c2ccccc2C(=O)N1CCn1nc2ccccn2c1=O ZINC000032777014 182662382 /nfs/dbraw/zinc/66/23/82/182662382.db2.gz BACKOCHOHWSVQZ-UHFFFAOYSA-N 0 0 308.297 0.792 50 0 DCAARN CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCOC[C@H]2C)cc1 ZINC000033050332 182691070 /nfs/dbraw/zinc/69/10/70/182691070.db2.gz UEHBNKWGGSRBHP-FZKGZDJFSA-N 0 0 324.402 0.855 50 0 DCAARN O=C(/C=C\c1ccc2c(c1)OCO2)OCC(=O)N1CCOCC1 ZINC000034854817 182740101 /nfs/dbraw/zinc/74/01/01/182740101.db2.gz CXJCCPNVIZWCDT-RQOWECAXSA-N 0 0 319.313 0.831 50 0 DCAARN COc1ccccc1S(=O)(=O)NCCCn1ncccc1=O ZINC000038517435 183001056 /nfs/dbraw/zinc/00/10/56/183001056.db2.gz JHKVYBRZQSNZCC-UHFFFAOYSA-N 0 0 323.374 0.621 50 0 DCAARN CCCS(=O)(=O)N1CCN(CC(=O)c2ccco2)CC1 ZINC000038671221 183006341 /nfs/dbraw/zinc/00/63/41/183006341.db2.gz AMXKJYLCYYBHEH-UHFFFAOYSA-N 0 0 300.380 0.820 50 0 DCAARN CS(=O)(=O)N1CCN(C[C@H](O)c2ccccc2Cl)CC1 ZINC000040105729 183035794 /nfs/dbraw/zinc/03/57/94/183035794.db2.gz KYADSIDXEQFLJS-ZDUSSCGKSA-N 0 0 318.826 0.951 50 0 DCAARN CC(=O)Nc1cccc(OCc2noc(C(=O)NCCO)n2)c1 ZINC000040284748 183051313 /nfs/dbraw/zinc/05/13/13/183051313.db2.gz KFCBQYDWUXLRNV-UHFFFAOYSA-N 0 0 320.305 0.329 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2c(c(Cl)c1)OCO2 ZINC000040467999 183073185 /nfs/dbraw/zinc/07/31/85/183073185.db2.gz KQMYNANLKINUJG-QMMMGPOBSA-N 0 0 317.750 0.986 50 0 DCAARN CN(C)C(=O)CN(C)c1ccc2nnc(C(F)(F)F)n2n1 ZINC000040480129 183077064 /nfs/dbraw/zinc/07/70/64/183077064.db2.gz JSOOIIYREKEWMK-UHFFFAOYSA-N 0 0 302.260 0.668 50 0 DCAARN C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(CC(N)=O)CC1 ZINC000040487659 183078206 /nfs/dbraw/zinc/07/82/06/183078206.db2.gz HXLYEJAPBAIATJ-LBPRGKRZSA-N 0 0 315.377 0.901 50 0 DCAARN CNC(=O)NC(=O)CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000040489084 183079176 /nfs/dbraw/zinc/07/91/76/183079176.db2.gz WBRLPMFKWCOWLD-HNNXBMFYSA-N 0 0 305.378 0.888 50 0 DCAARN Cc1ccc(CS(=O)(=O)Cc2nc(N)nc(N(C)C)n2)cc1 ZINC000040498827 183082687 /nfs/dbraw/zinc/08/26/87/183082687.db2.gz SQVIIWIDDQQLKC-UHFFFAOYSA-N 0 0 321.406 0.943 50 0 DCAARN Cn1cnc(S(=O)(=O)NCCCn2cccn2)c1Cl ZINC000040504535 183084287 /nfs/dbraw/zinc/08/42/87/183084287.db2.gz LSLPFZJWTHDDEX-UHFFFAOYSA-N 0 0 303.775 0.639 50 0 DCAARN Cc1c(C(=O)NCCN2CCOCC2)cnn1-c1ccccn1 ZINC000040506032 183085649 /nfs/dbraw/zinc/08/56/49/183085649.db2.gz PYGJXHNHNGZGCQ-UHFFFAOYSA-N 0 0 315.377 0.638 50 0 DCAARN CS(=O)(=O)NCCC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000040510416 183086681 /nfs/dbraw/zinc/08/66/81/183086681.db2.gz PXDOLENHVCJVKX-UHFFFAOYSA-N 0 0 322.390 0.428 50 0 DCAARN C[C@H]1CN(C(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000040511854 183087539 /nfs/dbraw/zinc/08/75/39/183087539.db2.gz ACZISVXBWXGTBR-QWRGUYRKSA-N 0 0 319.427 0.229 50 0 DCAARN Cn1c(=O)ccn(CC(=O)N2CCC[C@H]2c2ccsc2)c1=O ZINC000040535820 183095523 /nfs/dbraw/zinc/09/55/23/183095523.db2.gz AUAWWZIHSRZFNA-LBPRGKRZSA-N 0 0 319.386 0.972 50 0 DCAARN O[C@@H](COC[C@H]1CCCO1)CN1CCN(c2ncccn2)CC1 ZINC000040459278 183069520 /nfs/dbraw/zinc/06/95/20/183069520.db2.gz CUQYVDZAWARQTN-HUUCEWRRSA-N 0 0 322.409 0.155 50 0 DCAARN CCCc1noc([C@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 ZINC000040714751 183122460 /nfs/dbraw/zinc/12/24/60/183122460.db2.gz OUWWXLSXJRYOGC-JTQLQIEISA-N 0 0 305.342 0.415 50 0 DCAARN COc1ccc(C)cc1NC(=O)C(=O)NCC(=O)N1CCCC1 ZINC000041246597 183180525 /nfs/dbraw/zinc/18/05/25/183180525.db2.gz FQTICCUVPTVRFX-UHFFFAOYSA-N 0 0 319.361 0.681 50 0 DCAARN CC(=O)N[C@H](CC(=O)N1CC[C@@H](C(N)=O)C1)c1cccs1 ZINC000041130222 183170242 /nfs/dbraw/zinc/17/02/42/183170242.db2.gz UGXBXMNELFDFTI-GHMZBOCLSA-N 0 0 309.391 0.649 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)c2cccnc2OCC(F)(F)F)C1 ZINC000041132640 183171012 /nfs/dbraw/zinc/17/10/12/183171012.db2.gz DZBHCDGGAZGLLU-MRVPVSSYSA-N 0 0 317.267 0.970 50 0 DCAARN O=C(NCCN1CCOCC1)NCc1ccc2c(c1)OCO2 ZINC000041450721 183192134 /nfs/dbraw/zinc/19/21/34/183192134.db2.gz LPSSXJAECASEIJ-UHFFFAOYSA-N 0 0 307.350 0.547 50 0 DCAARN Cn1cc(C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)nn1 ZINC000042383186 183262610 /nfs/dbraw/zinc/26/26/10/183262610.db2.gz VLPGWBBSZBGYMZ-UHFFFAOYSA-N 0 0 319.287 0.346 50 0 DCAARN COC(=O)c1ccc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000042383442 183262664 /nfs/dbraw/zinc/26/26/64/183262664.db2.gz QPHNAFLDZBBEHU-SNVBAGLBSA-N 0 0 311.359 0.638 50 0 DCAARN Cn1ncc2c1ncn(C[C@@H](O)COc1ccccc1)c2=O ZINC000042757722 183306162 /nfs/dbraw/zinc/30/61/62/183306162.db2.gz HMSMCMHQXWFCEI-LLVKDONJSA-N 0 0 300.318 0.570 50 0 DCAARN Cn1ncc2c1ncn(C[C@H](O)COCc1ccccc1)c2=O ZINC000042757787 183306313 /nfs/dbraw/zinc/30/63/13/183306313.db2.gz LUEFDMXOCKGYBV-ZDUSSCGKSA-N 0 0 314.345 0.708 50 0 DCAARN COc1cccc(-n2nnc(C(=O)NCCCC(N)=O)c2C)c1 ZINC000042924630 183319166 /nfs/dbraw/zinc/31/91/66/183319166.db2.gz XHJGORMAKMSGKC-UHFFFAOYSA-N 0 0 317.349 0.580 50 0 DCAARN Cc1cc(CN2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)on1 ZINC000044402848 183408285 /nfs/dbraw/zinc/40/82/85/183408285.db2.gz GBNSQZGIGCWGGH-CYBMUJFWSA-N 0 0 320.393 0.496 50 0 DCAARN CNS(=O)(=O)c1cccc(CNC(=O)N2CCOCC2)c1 ZINC000044917484 183457195 /nfs/dbraw/zinc/45/71/95/183457195.db2.gz ZZWBNFZANHUUFR-UHFFFAOYSA-N 0 0 313.379 0.137 50 0 DCAARN C[C@@H](C(=O)N1CCOCC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000044948379 183464548 /nfs/dbraw/zinc/46/45/48/183464548.db2.gz CVHZQZYGXUXTTL-VIFPVBQESA-N 0 0 319.329 0.986 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)N(CCOC)C2CC2)c1 ZINC000044955490 183466749 /nfs/dbraw/zinc/46/67/49/183466749.db2.gz XNPUZRKVFOHABP-UHFFFAOYSA-N 0 0 312.391 0.846 50 0 DCAARN C[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@@H](C)CO1 ZINC000045449471 183509645 /nfs/dbraw/zinc/50/96/45/183509645.db2.gz CPTFJGHSWXNMFS-WDEREUQCSA-N 0 0 304.412 0.294 50 0 DCAARN Cc1ccc(CNC(=O)N2CCN(S(C)(=O)=O)CC2)cn1 ZINC000046872174 183570882 /nfs/dbraw/zinc/57/08/82/183570882.db2.gz AQVPPPGOIUYNIU-UHFFFAOYSA-N 0 0 312.395 0.177 50 0 DCAARN CCn1cnnc1CNC(=O)Cc1ccc2c(c1)OCCO2 ZINC000047021633 183578850 /nfs/dbraw/zinc/57/88/50/183578850.db2.gz ASLVCOKHGKEKKK-UHFFFAOYSA-N 0 0 302.334 0.928 50 0 DCAARN COCc1c(C)onc1C(=O)N1CCN2CCN(C)C[C@H]2C1 ZINC000106265879 194192720 /nfs/dbraw/zinc/19/27/20/194192720.db2.gz BDFAUUOHYOJDDK-LBPRGKRZSA-N 0 0 308.382 0.201 50 0 DCAARN Cc1cn2nc(N3CCC[C@H]3C(=O)N3CCOCC3)sc2n1 ZINC000051910072 183841937 /nfs/dbraw/zinc/84/19/37/183841937.db2.gz VGAWVTMQYWUHPV-NSHDSACASA-N 0 0 321.406 0.927 50 0 DCAARN CCN(Cc1nc(COC)no1)C(=O)[C@@H](NC(C)=O)C(C)C ZINC000055242688 183973471 /nfs/dbraw/zinc/97/34/71/183973471.db2.gz AVRANTMUVLQOBM-ZDUSSCGKSA-N 0 0 312.370 0.725 50 0 DCAARN CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CCO[C@@H](C)C2)cc1 ZINC000056656706 184017255 /nfs/dbraw/zinc/01/72/55/184017255.db2.gz SDYRAOOWMBEILU-JECSTDCCSA-N 0 0 324.402 0.855 50 0 DCAARN COC(=O)C1(NS(=O)(=O)c2cnn(C)c2)CCC(C)CC1 ZINC000056107725 184005086 /nfs/dbraw/zinc/00/50/86/184005086.db2.gz GXCIMJWYCWAWEY-UHFFFAOYSA-N 0 0 315.395 0.820 50 0 DCAARN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCn1cncn1 ZINC000056272455 184008740 /nfs/dbraw/zinc/00/87/40/184008740.db2.gz SOGJXGFAXPKFLH-AWEZNQCLSA-N 0 0 316.361 0.959 50 0 DCAARN C[C@H](C(=O)N[C@@H](C)CCc1ccccc1)N1CCNC(=O)C1 ZINC000057024624 184024861 /nfs/dbraw/zinc/02/48/61/184024861.db2.gz PHRYDPRHEMMGEE-UONOGXRCSA-N 0 0 303.406 0.944 50 0 DCAARN CCOC(=O)c1cn(C)nc1S(=O)(=O)N1CCCCC1 ZINC000057478163 184039782 /nfs/dbraw/zinc/03/97/82/184039782.db2.gz JWDVZBYLABPRKX-UHFFFAOYSA-N 0 0 301.368 0.771 50 0 DCAARN C[C@H](OC[C@H]1CCCCO1)C(=O)NCCNc1cnccn1 ZINC000058017710 184067867 /nfs/dbraw/zinc/06/78/67/184067867.db2.gz GRPDUDICCSAHHE-QWHCGFSZSA-N 0 0 308.382 0.979 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1cccc(Cl)c1F ZINC000058178867 184085004 /nfs/dbraw/zinc/08/50/04/184085004.db2.gz LYYHPGBFQWIDNE-UHFFFAOYSA-N 0 0 324.761 0.602 50 0 DCAARN CCN(C[C@H](C)C(=O)OC)C(=O)c1cccc(-n2cnnn2)c1 ZINC000058378497 184110092 /nfs/dbraw/zinc/11/00/92/184110092.db2.gz IBMOTJBPHYQTQE-NSHDSACASA-N 0 0 317.349 0.934 50 0 DCAARN O=C(OCc1ccoc1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000058265323 184095998 /nfs/dbraw/zinc/09/59/98/184095998.db2.gz XTTSVXIGHVSPJW-UHFFFAOYSA-N 0 0 308.315 0.820 50 0 DCAARN COCCOc1ccccc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000058314700 184104195 /nfs/dbraw/zinc/10/41/95/184104195.db2.gz NVTCLYSRVNDJDC-CYBMUJFWSA-N 0 0 308.378 0.772 50 0 DCAARN c1ncc(NC[C@@]2(N3CCOCC3)CCSC2)n2nnnc12 ZINC000058424054 184116203 /nfs/dbraw/zinc/11/62/03/184116203.db2.gz PUZNYBHLZAEGNH-ZDUSSCGKSA-N 0 0 321.410 0.139 50 0 DCAARN Cc1cc(F)ccc1NC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000058441994 184118820 /nfs/dbraw/zinc/11/88/20/184118820.db2.gz GYVIDHFBEHYQQX-UHFFFAOYSA-N 0 0 312.326 0.617 50 0 DCAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccoc1)N1CCCCO1 ZINC000059436841 184138337 /nfs/dbraw/zinc/13/83/37/184138337.db2.gz GAXHVXQWVHJGBY-CYBMUJFWSA-N 0 0 307.350 0.524 50 0 DCAARN Cc1cc(CNC(=O)CN(C)c2ncnc3nc[nH]c32)no1 ZINC000062292674 184228281 /nfs/dbraw/zinc/22/82/81/184228281.db2.gz ZEFXXUGEDLDBTO-UHFFFAOYSA-N 0 0 301.310 0.402 50 0 DCAARN CNC(=O)CCCS(=O)(=O)Cc1nc(CC(C)C)no1 ZINC000063965049 184291700 /nfs/dbraw/zinc/29/17/00/184291700.db2.gz UOIINHPNHWGUNG-UHFFFAOYSA-N 0 0 303.384 0.709 50 0 DCAARN CCCNC(=O)CN1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000064888542 184305683 /nfs/dbraw/zinc/30/56/83/184305683.db2.gz QJKLZOTYWWRJPX-UHFFFAOYSA-N 0 0 321.352 0.523 50 0 DCAARN O=C(Cn1nc2c3ccccc3ncn2c1=O)NCc1ccco1 ZINC000064943956 184306541 /nfs/dbraw/zinc/30/65/41/184306541.db2.gz JIQUYWBDYDERTR-UHFFFAOYSA-N 0 0 323.312 0.954 50 0 DCAARN CCc1nccc([C@@H]2CC(=O)Nc3n[nH]c(C(=O)NC)c32)n1 ZINC000065386490 184333109 /nfs/dbraw/zinc/33/31/09/184333109.db2.gz HEIDJTSHGGBGJU-ZETCQYMHSA-N 0 0 300.322 0.596 50 0 DCAARN COCC(=O)N1CC[C@H](Oc2cc(N3CCCC3)ncn2)C1 ZINC000065269419 184320339 /nfs/dbraw/zinc/32/03/39/184320339.db2.gz AFULIZDDYCHJEM-LBPRGKRZSA-N 0 0 306.366 0.703 50 0 DCAARN Cc1nc2c(NC(=O)[C@H](C)CN3CCOCC3)cccn2n1 ZINC000065284103 184321146 /nfs/dbraw/zinc/32/11/46/184321146.db2.gz UEOSINVVUJJWHF-LLVKDONJSA-N 0 0 303.366 0.945 50 0 DCAARN COc1ccc(N([C@H](C)C(N)=O)S(C)(=O)=O)cc1OC ZINC000065364980 184328752 /nfs/dbraw/zinc/32/87/52/184328752.db2.gz UFQQLSJBQCZMFS-MRVPVSSYSA-N 0 0 302.352 0.344 50 0 DCAARN CC(C)c1csc(CN(C)[C@@H]2CS(=O)(=O)C[C@H]2O)n1 ZINC000065420871 184341524 /nfs/dbraw/zinc/34/15/24/184341524.db2.gz ISTBTKYKWYBARV-GHMZBOCLSA-N 0 0 304.437 0.856 50 0 DCAARN CC(C)Cc1cc(C(=O)NCCN2CCCS2(=O)=O)[nH]n1 ZINC000065423604 184341727 /nfs/dbraw/zinc/34/17/27/184341727.db2.gz ROVOPWVSNZRBJO-UHFFFAOYSA-N 0 0 314.411 0.374 50 0 DCAARN CC(C)N1C[C@@H](C(=O)NCCN2C(=O)CSC2=O)CC1=O ZINC000065430474 184343530 /nfs/dbraw/zinc/34/35/30/184343530.db2.gz DQMACOYWAPSHBE-VIFPVBQESA-N 0 0 313.379 0.055 50 0 DCAARN CCOC(=O)CN(Cc1nc2c(cnn2C)c(=O)[nH]1)C(C)C ZINC000065449485 184345897 /nfs/dbraw/zinc/34/58/97/184345897.db2.gz XNFGITCARRDCDW-UHFFFAOYSA-N 0 0 307.354 0.430 50 0 DCAARN O=C(N[C@H]1CCc2nccn2C1)c1cccc(-n2cnnn2)c1 ZINC000065463272 184349616 /nfs/dbraw/zinc/34/96/16/184349616.db2.gz LJIGJZPKESCZAM-LBPRGKRZSA-N 0 0 309.333 0.604 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)N[C@H]2CCc3nccn3C2)CC1=O ZINC000065463254 184349629 /nfs/dbraw/zinc/34/96/29/184349629.db2.gz WNRFVCLZDNZXLQ-STQMWFEESA-N 0 0 304.394 0.819 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000065466969 184350278 /nfs/dbraw/zinc/35/02/78/184350278.db2.gz HZBXXDGLJIBEKC-JTQLQIEISA-N 0 0 302.309 0.959 50 0 DCAARN CCOC(=O)NCCNC(=O)CCNC(=O)OC(C)(C)C ZINC000065575658 184367622 /nfs/dbraw/zinc/36/76/22/184367622.db2.gz QCMGYMWOXHWLBX-UHFFFAOYSA-N 0 0 303.359 0.764 50 0 DCAARN O=C1CNC(=O)N1CCCN1CCO[C@@H](c2nccs2)C1 ZINC000065594025 184370991 /nfs/dbraw/zinc/37/09/91/184370991.db2.gz YIMMARWULLWEIB-SNVBAGLBSA-N 0 0 310.379 0.458 50 0 DCAARN O=C(c1cnc2ccccc2c1)N1CCN2C(=O)CNC(=O)[C@@H]2C1 ZINC000065494975 184354883 /nfs/dbraw/zinc/35/48/83/184354883.db2.gz INCKZBPSKBXQTM-AWEZNQCLSA-N 0 0 324.340 0.018 50 0 DCAARN COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)CCCn1nc(C)cc1C ZINC000065495929 184355006 /nfs/dbraw/zinc/35/50/06/184355006.db2.gz MRLYZPMEDGSHHO-UONOGXRCSA-N 0 0 323.393 0.805 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000065501015 184355487 /nfs/dbraw/zinc/35/54/87/184355487.db2.gz NMBMVNHSCQBWLO-QWHCGFSZSA-N 0 0 319.336 0.957 50 0 DCAARN CCc1nnsc1C(=O)N1CCn2c(C(N)=O)cnc2C1 ZINC000065501116 184355590 /nfs/dbraw/zinc/35/55/90/184355590.db2.gz GYDSRJVSRNZMGK-UHFFFAOYSA-N 0 0 306.351 0.052 50 0 DCAARN COC[C@]1(C)NC(=O)N(CC(=O)NCc2ccccc2)C1=O ZINC000066084121 184388006 /nfs/dbraw/zinc/38/80/06/184388006.db2.gz ICJZSAMGOACRRO-HNNXBMFYSA-N 0 0 305.334 0.260 50 0 DCAARN C[C@@H](Cn1cncn1)NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000066579567 184416947 /nfs/dbraw/zinc/41/69/47/184416947.db2.gz SMIWVNUGJVJLFU-JTQLQIEISA-N 0 0 308.363 0.675 50 0 DCAARN Cn1c(CN2CCO[C@H](Cn3cccn3)C2)nnc1C1CC1 ZINC000069391798 184512053 /nfs/dbraw/zinc/51/20/53/184512053.db2.gz MAJDRQYLEGICSY-ZDUSSCGKSA-N 0 0 302.382 0.790 50 0 DCAARN CC(C)COCCCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000069414826 184512849 /nfs/dbraw/zinc/51/28/49/184512849.db2.gz RQYIMCNVGSAUSZ-BETUJISGSA-N 0 0 308.444 0.993 50 0 DCAARN COc1ccc2c(c1)OC[C@H](C(=O)N1CCS(=O)CC1)C2 ZINC000069368162 184509906 /nfs/dbraw/zinc/50/99/06/184509906.db2.gz PRLCFVRGUQQWJR-GFCCVEGCSA-N 0 0 309.387 0.837 50 0 DCAARN O=C1C[C@H](N[C@@H]2CCCCNC2=O)C(=O)N1c1ccccc1 ZINC000019889926 296348147 /nfs/dbraw/zinc/34/81/47/296348147.db2.gz QRLYMGHWKKAQIU-OLZOCXBDSA-N 0 0 301.346 0.577 50 0 DCAARN COC(=O)c1cc(C(=O)N2CCNC(=O)[C@H]2CC(C)C)cn1C ZINC000349011919 254269473 /nfs/dbraw/zinc/26/94/73/254269473.db2.gz WAUCNBHHYYQTNA-GFCCVEGCSA-N 0 0 321.377 0.798 50 0 DCAARN Cc1cc(C(=O)NC(C)(CO)CO)nn1-c1cccc(F)c1 ZINC000120684160 195214908 /nfs/dbraw/zinc/21/49/08/195214908.db2.gz UVTSWJJIZFREAQ-UHFFFAOYSA-N 0 0 307.325 0.793 50 0 DCAARN CC(C)n1nccc1NC(=O)NCCS(=O)(=O)N(C)C ZINC000289484487 221010886 /nfs/dbraw/zinc/01/08/86/221010886.db2.gz KHTHRVGOINXVSK-UHFFFAOYSA-N 0 0 303.388 0.477 50 0 DCAARN CSc1ccccc1NC(=O)C(=O)NC[C@@]1(O)CCOC1 ZINC000270160155 256625023 /nfs/dbraw/zinc/62/50/23/256625023.db2.gz SGFHEAHJXNFSPR-AWEZNQCLSA-N 0 0 310.375 0.615 50 0 DCAARN O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)Nc1nc[nH]n1 ZINC000524733844 257213246 /nfs/dbraw/zinc/21/32/46/257213246.db2.gz VMMMCSWEDLYFSR-UHFFFAOYSA-N 0 0 314.305 0.639 50 0 DCAARN C[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2)n1cnnn1 ZINC000524731059 257213853 /nfs/dbraw/zinc/21/38/53/257213853.db2.gz IZGSTJHBTCGFFW-QNWHQSFQSA-N 0 0 318.381 0.094 50 0 biogenic DCAARN COC(=O)c1cn(NC(=O)[C@H]2CCCO2)cc2c(=O)[nH]nc1-2 ZINC000524733701 257214155 /nfs/dbraw/zinc/21/41/55/257214155.db2.gz HKOQYIIJOXUWCT-SECBINFHSA-N 0 0 306.278 0.124 50 0 DCAARN COc1c[nH]c(C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1=O ZINC000524732755 257214156 /nfs/dbraw/zinc/21/41/56/257214156.db2.gz ZPAGRZNIFHUTMY-UHFFFAOYSA-N 0 0 315.285 0.967 50 0 DCAARN COc1cccc(CNC(=O)CNC(=O)C2CCOCC2)c1 ZINC000089470040 257271667 /nfs/dbraw/zinc/27/16/67/257271667.db2.gz ZFEJQKCOUAWJIH-UHFFFAOYSA-N 0 0 306.362 0.854 50 0 DCAARN CN1C(=O)C[C@H](C(=O)[O-])C12CC[NH+](Cc1cccnc1)CC2 ZINC000095376880 257271928 /nfs/dbraw/zinc/27/19/28/257271928.db2.gz HEYJKCBSSFMMAJ-CYBMUJFWSA-N 0 0 303.362 0.979 50 0 DCAARN CCc1nc(N)sc1C(=O)NCCSc1nncn1C ZINC000216501875 257273271 /nfs/dbraw/zinc/27/32/71/257273271.db2.gz ILTFUDGTOGWPJG-UHFFFAOYSA-N 0 0 312.424 0.938 50 0 DCAARN CCS(=O)(=O)NCCNC(=O)c1[nH]cnc1C(C)(C)C ZINC000521396318 257240335 /nfs/dbraw/zinc/24/03/35/257240335.db2.gz LXGBUOJBDIVOBP-UHFFFAOYSA-N 0 0 302.400 0.376 50 0 DCAARN Cc1[nH]c(=O)c(C(=O)N2CCN(C)[C@H](CCO)C2)c(C)c1C ZINC000426691118 257244133 /nfs/dbraw/zinc/24/41/33/257244133.db2.gz BRQZBODOHCZXLI-CYBMUJFWSA-N 0 0 307.394 0.851 50 0 DCAARN O=C(Cn1cnc2ccsc2c1=O)N1CCc2n[nH]cc2C1 ZINC000426633884 257244811 /nfs/dbraw/zinc/24/48/11/257244811.db2.gz LEYGMDOCWMRSGD-UHFFFAOYSA-N 0 0 315.358 0.766 50 0 DCAARN CCc1noc([C@H](C)NC(=O)N2CCN(CCOC)CC2)n1 ZINC000426612483 257245075 /nfs/dbraw/zinc/24/50/75/257245075.db2.gz DDZQYTAUVSXMDO-NSHDSACASA-N 0 0 311.386 0.667 50 0 DCAARN O=C(C[C@@H]1CCCOC1)NCc1nc(-c2cnccn2)n[nH]1 ZINC000426613618 257245458 /nfs/dbraw/zinc/24/54/58/257245458.db2.gz KDBPWRXEWFPURJ-JTQLQIEISA-N 0 0 302.338 0.695 50 0 DCAARN Cn1nnnc1SCCNC(=O)c1nc2ccccc2[nH]1 ZINC000426517757 257247444 /nfs/dbraw/zinc/24/74/44/257247444.db2.gz BQQWSOFZXHCVHL-UHFFFAOYSA-N 0 0 303.351 0.609 50 0 DCAARN COCCn1cnnc1CNC(=O)N(C)[C@H](C)c1ccncn1 ZINC000426512295 257247657 /nfs/dbraw/zinc/24/76/57/257247657.db2.gz QISWVTFLCUXKRY-LLVKDONJSA-N 0 0 319.369 0.617 50 0 DCAARN CO[C@]12CCN(C(=O)Cn3ccccc3=O)[C@H]1C[C@@H](O)CC2 ZINC000426477688 257249200 /nfs/dbraw/zinc/24/92/00/257249200.db2.gz GLGAYEGWZQJRPT-HEHGZKQESA-N 0 0 306.362 0.379 50 0 DCAARN O=C(NCCc1nc2ccccc2c(=O)[nH]1)c1cncc(=O)[nH]1 ZINC000426424367 257249966 /nfs/dbraw/zinc/24/99/66/257249966.db2.gz OQSAWWYRLRNDTG-UHFFFAOYSA-N 0 0 311.301 0.391 50 0 DCAARN CCc1nccn1CCC(=O)N1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1 ZINC000426410785 257250724 /nfs/dbraw/zinc/25/07/24/257250724.db2.gz ZENZGLQUYKGTLI-CRWXNKLISA-N 0 0 307.394 0.426 50 0 DCAARN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(C)n1C(F)F ZINC000426410703 257251079 /nfs/dbraw/zinc/25/10/79/257251079.db2.gz NLASCHKOZGOPIZ-PSASIEDQSA-N 0 0 322.333 0.733 50 0 DCAARN CCc1cc(CN(C)C(=O)NCCc2nc(N)cc(=O)[nH]2)on1 ZINC000426359971 257253270 /nfs/dbraw/zinc/25/32/70/257253270.db2.gz QGSDRLYFPBZLFQ-UHFFFAOYSA-N 0 0 320.353 0.699 50 0 DCAARN Cc1[nH]c(=O)c(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c(C)c1C ZINC000426379606 257253354 /nfs/dbraw/zinc/25/33/54/257253354.db2.gz COYWCSZKOYLRPI-NSHDSACASA-N 0 0 305.334 0.989 50 0 DCAARN CCOc1ccccc1N1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000283131879 130963142 /nfs/dbraw/zinc/96/31/42/130963142.db2.gz ZQDYOOZXWJOYFA-LBPRGKRZSA-N 0 0 319.361 0.842 50 0 DCAARN C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)CN2)CCO1 ZINC000032920307 134684248 /nfs/dbraw/zinc/68/42/48/134684248.db2.gz CMGSAUPTWGBWDV-LLVKDONJSA-N 0 0 302.334 0.184 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1cccc(C)c1 ZINC000008233442 395684346 /nfs/dbraw/zinc/68/43/46/395684346.db2.gz PDAVVIHUIRNGBI-SNVBAGLBSA-N 0 0 321.333 0.112 50 0 DCAARN COCCNC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000008245689 395684348 /nfs/dbraw/zinc/68/43/48/395684348.db2.gz UWWBWOLYAWXUMY-CYBMUJFWSA-N 0 0 308.353 0.979 50 0 DCAARN CC[C@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(C)c1=O ZINC000008610863 395684801 /nfs/dbraw/zinc/68/48/01/395684801.db2.gz HPWWHQIEAFSREI-NSHDSACASA-N 0 0 316.361 0.768 50 0 DCAARN CN(C)S(=O)(=O)CCN(C)S(=O)(=O)c1cccs1 ZINC000008771560 395684915 /nfs/dbraw/zinc/68/49/15/395684915.db2.gz URJTXGWKCCXZCZ-UHFFFAOYSA-N 0 0 312.438 0.260 50 0 DCAARN O=C(COC(=O)c1cccc(O)c1)NC(=O)NCC(F)(F)F ZINC000009337199 395685250 /nfs/dbraw/zinc/68/52/50/395685250.db2.gz GITZDQRLBZAZCN-UHFFFAOYSA-N 0 0 320.223 0.937 50 0 DCAARN Cc1nc(C)c(CCC(=O)N(C)CC(=O)NC(C)(C)C)c(=O)[nH]1 ZINC000009388312 395685285 /nfs/dbraw/zinc/68/52/85/395685285.db2.gz QJTUXYFUOTXOIO-UHFFFAOYSA-N 0 0 322.409 0.692 50 0 DCAARN COc1cccc(CN2C(=S)N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000009303298 395685321 /nfs/dbraw/zinc/68/53/21/395685321.db2.gz UNZRSVYPDIXITB-VXGBXAGGSA-N 0 0 312.416 0.551 50 0 DCAARN C[C@H]1CN(C(=O)Cn2cc(Br)ccc2=O)CCO1 ZINC000010907509 395686326 /nfs/dbraw/zinc/68/63/26/395686326.db2.gz AYKUHGVDHDEKLR-VIFPVBQESA-N 0 0 315.167 0.858 50 0 DCAARN O=c1cccnn1CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000011856330 395687028 /nfs/dbraw/zinc/68/70/28/395687028.db2.gz VEBHGRKGHKRBPT-UHFFFAOYSA-N 0 0 319.795 0.937 50 0 DCAARN Cc1nc2ncc3c(ccn(NC(=O)c4cccnc4)c3=O)n2n1 ZINC000012391458 395687556 /nfs/dbraw/zinc/68/75/56/395687556.db2.gz ZOHKXGVQVICLSM-UHFFFAOYSA-N 0 0 321.300 0.527 50 0 DCAARN CC(=O)Nc1ncc(S(=O)(=O)N2CCN(C)CC2)s1 ZINC000012379783 395687602 /nfs/dbraw/zinc/68/76/02/395687602.db2.gz ZYPZUDICIUHKKG-UHFFFAOYSA-N 0 0 304.397 0.038 50 0 DCAARN COc1ccccc1N1C[C@@H](C(=O)Nc2nc[nH]n2)CC1=O ZINC000012406547 395687618 /nfs/dbraw/zinc/68/76/18/395687618.db2.gz CRMLUSIKYMHEAK-VIFPVBQESA-N 0 0 301.306 0.805 50 0 DCAARN O=C(NCCCN1CCCC1=O)c1nc(-c2ccncc2)no1 ZINC000012409662 395687640 /nfs/dbraw/zinc/68/76/40/395687640.db2.gz CHWTZKBLYJBYBR-UHFFFAOYSA-N 0 0 315.333 0.874 50 0 DCAARN CC(=O)N1CCN(C(=O)c2nc(-c3ccccn3)no2)CC1 ZINC000012390012 395687652 /nfs/dbraw/zinc/68/76/52/395687652.db2.gz OIYOOJDENGUUHM-UHFFFAOYSA-N 0 0 301.306 0.436 50 0 DCAARN O=C(COC(=O)c1c[nH]nc1-c1ccccc1)N1CCNC1=O ZINC000012538991 395687783 /nfs/dbraw/zinc/68/77/83/395687783.db2.gz TVKNKGJOTFQWNP-UHFFFAOYSA-N 0 0 314.301 0.785 50 0 DCAARN COCCNS(=O)(=O)c1cc2c(cc1C)n(C)c(=O)n2C ZINC000012446825 395687822 /nfs/dbraw/zinc/68/78/22/395687822.db2.gz QMNWSEDYDVHOPY-UHFFFAOYSA-N 0 0 313.379 0.110 50 0 DCAARN CCN(CC)C(=O)Cn1cc(C(=O)NCCc2ccco2)nn1 ZINC000012576153 395687852 /nfs/dbraw/zinc/68/78/52/395687852.db2.gz YQALTGYZKRNEHV-UHFFFAOYSA-N 0 0 319.365 0.712 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2ccccc2[nH]c1=O ZINC000012616137 395687912 /nfs/dbraw/zinc/68/79/12/395687912.db2.gz FYFAKXGDYYMNPW-SNVBAGLBSA-N 0 0 306.343 0.445 50 0 DCAARN C[C@@H](OC(=O)c1cccnc1N)C(=O)NC(=O)NC1CCCC1 ZINC000012865867 395688043 /nfs/dbraw/zinc/68/80/43/395688043.db2.gz CVDSACAHNYDIOU-SECBINFHSA-N 0 0 320.349 0.978 50 0 DCAARN COCCNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000013013285 395688328 /nfs/dbraw/zinc/68/83/28/395688328.db2.gz CKGUNCBPDOKZHY-UHFFFAOYSA-N 0 0 305.128 0.535 50 0 DCAARN O=c1cc(CO)oc(CN2CCN(c3ccccn3)CC2)c1O ZINC000013060100 395688435 /nfs/dbraw/zinc/68/84/35/395688435.db2.gz YTNDTWPIXUHQMB-UHFFFAOYSA-N 0 0 317.345 0.555 50 0 DCAARN COC(=O)c1cccc(NC(=O)Nc2c[nH]c(=O)[nH]c2=O)c1 ZINC000013361320 395688609 /nfs/dbraw/zinc/68/86/09/395688609.db2.gz ICOZRZGXPAEGNR-UHFFFAOYSA-N 0 0 304.262 0.494 50 0 DCAARN Cn1ncc2c1ncn(CC(=O)N1CCc3ccccc3C1)c2=O ZINC000014049085 395689082 /nfs/dbraw/zinc/68/90/82/395689082.db2.gz LVKPGUZRPGFNBQ-UHFFFAOYSA-N 0 0 323.356 0.715 50 0 DCAARN Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCN(C)CC1 ZINC000014031436 395689098 /nfs/dbraw/zinc/68/90/98/395689098.db2.gz YWQOUNULILBYME-LLVKDONJSA-N 0 0 308.407 0.363 50 0 DCAARN CCCN1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000014252872 395689450 /nfs/dbraw/zinc/68/94/50/395689450.db2.gz GDNMHWGEJWDMDR-UHFFFAOYSA-N 0 0 310.379 0.939 50 0 DCAARN COc1cc([C@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)ccc1O ZINC000017015169 395690608 /nfs/dbraw/zinc/69/06/08/395690608.db2.gz QUTYQXICRZCIDB-SSDOTTSWSA-N 0 0 302.290 0.540 50 0 DCAARN CCN1C(=O)C[C@H](N2CCN(c3cccc(OC)c3)CC2)C1=O ZINC000018181742 395690922 /nfs/dbraw/zinc/69/09/22/395690922.db2.gz YKACTZMSSLXTAJ-HNNXBMFYSA-N 0 0 317.389 0.965 50 0 DCAARN O=C(c1cccnc1N1CCCCC1)N1CCN(CCO)CC1 ZINC000020032146 395691183 /nfs/dbraw/zinc/69/11/83/395691183.db2.gz WPXQZHJOGPRONY-UHFFFAOYSA-N 0 0 318.421 0.822 50 0 DCAARN O=C(CN1C(=O)CSc2ncccc21)NC[C@H]1CCCO1 ZINC000020865694 395691393 /nfs/dbraw/zinc/69/13/93/395691393.db2.gz KBRQRKHIDMINFC-SNVBAGLBSA-N 0 0 307.375 0.816 50 0 DCAARN C[C@H]1C[C@H]1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000023462337 395692450 /nfs/dbraw/zinc/69/24/50/395692450.db2.gz XKDJWXHCVZJHOG-WDEREUQCSA-N 0 0 300.366 0.668 50 0 DCAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(N)=O)cc1 ZINC000000073816 395679645 /nfs/dbraw/zinc/67/96/45/395679645.db2.gz WRDYDFUCLJVUGZ-ZDUSSCGKSA-N 0 0 319.317 0.352 50 0 DCAARN O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCN(c2cnccn2)CC1 ZINC000025344317 395693519 /nfs/dbraw/zinc/69/35/19/395693519.db2.gz LUZZENJGEYJHFE-GFCCVEGCSA-N 0 0 315.377 0.136 50 0 DCAARN CC(=O)[C@H](C)n1c(Br)nc2c1c(=O)[nH]c(=O)n2C ZINC000000189494 395679916 /nfs/dbraw/zinc/67/99/16/395679916.db2.gz SVSPOEAZYCDBKE-BYPYZUCNSA-N 0 0 315.127 0.336 50 0 DCAARN CC[C@]1(C)OC(=O)N(CCNC(=O)c2ccnn2C)[C@]1(C)O ZINC000000140302 395679953 /nfs/dbraw/zinc/67/99/53/395679953.db2.gz PMRRGRINOHJDSC-UONOGXRCSA-N 0 0 310.354 0.479 50 0 DCAARN [NH2+]=C1NC([O-])=C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)S1 ZINC000000217466 395680034 /nfs/dbraw/zinc/68/00/34/395680034.db2.gz UUWJCSKRFRPWIR-SNVBAGLBSA-N 0 0 307.331 0.743 50 0 DCAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000256535 395680082 /nfs/dbraw/zinc/68/00/82/395680082.db2.gz RUFCWYJWEKOTBQ-UHFFFAOYSA-N 0 0 324.358 0.361 50 0 DCAARN Cc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)no1 ZINC000000347880 395680141 /nfs/dbraw/zinc/68/01/41/395680141.db2.gz KFGWNIGZMCIXJX-UHFFFAOYSA-N 0 0 309.347 0.603 50 0 DCAARN Cc1ccc(NC(=O)Cn2nnnc2-c2nonc2N)c(C)c1 ZINC000000307398 395680192 /nfs/dbraw/zinc/68/01/92/395680192.db2.gz COBLNDVCYAYHCH-UHFFFAOYSA-N 0 0 314.309 0.561 50 0 DCAARN Cc1ccc(S(=O)(=O)n2cnc3c2nc(N)[nH]c3=O)cc1 ZINC000000383843 395680264 /nfs/dbraw/zinc/68/02/64/395680264.db2.gz JYZICMVBZNSJTK-UHFFFAOYSA-N 0 0 305.319 0.247 50 0 DCAARN CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(F)cc1 ZINC000000379763 395680289 /nfs/dbraw/zinc/68/02/89/395680289.db2.gz ICMKRGKWQKVRPD-UHFFFAOYSA-N 0 0 316.354 0.451 50 0 DCAARN CC1(C)O[C@@H]2O[C@@H]([C@H](O)COC(=O)c3ccccc3)[C@@H](O)[C@@H]2O1 ZINC000000391392 395680325 /nfs/dbraw/zinc/68/03/25/395680325.db2.gz YZTNJMSUDMOQJM-BIGJJFBESA-N 0 0 324.329 0.442 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)Nc1ccccc1OC ZINC000000487604 395680393 /nfs/dbraw/zinc/68/03/93/395680393.db2.gz PAGSJLHXTOOENG-NSHDSACASA-N 0 0 321.333 0.591 50 0 biogenic DCAARN COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000506138 395680454 /nfs/dbraw/zinc/68/04/54/395680454.db2.gz MKAAMOHCOOXCJX-UHFFFAOYSA-N 0 0 310.335 0.086 50 0 DCAARN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(N)=O ZINC000000479881 395680496 /nfs/dbraw/zinc/68/04/96/395680496.db2.gz PQWKBBJDZURTMF-UHFFFAOYSA-N 0 0 300.380 0.793 50 0 DCAARN O=C(c1ccccc1C(=O)N1CCOCC1)N1CCOCC1 ZINC000001229903 395680650 /nfs/dbraw/zinc/68/06/50/395680650.db2.gz ALUQMBZPJUOGAM-UHFFFAOYSA-N 0 0 304.346 0.631 50 0 DCAARN CN(C)c1nnnn1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000001389267 395680776 /nfs/dbraw/zinc/68/07/76/395680776.db2.gz PFNFAOCKULSEGP-UHFFFAOYSA-N 0 0 321.284 0.995 50 0 DCAARN COCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C ZINC000001858898 395681275 /nfs/dbraw/zinc/68/12/75/395681275.db2.gz OZGUJXQYOFKYIH-UHFFFAOYSA-N 0 0 309.370 0.528 50 0 DCAARN CCOCCn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000001839454 395681295 /nfs/dbraw/zinc/68/12/95/395681295.db2.gz BIIKJSCRZKWBPK-UHFFFAOYSA-N 0 0 307.354 0.060 50 0 DCAARN CC(=O)OC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000002674110 395681805 /nfs/dbraw/zinc/68/18/05/395681805.db2.gz PHWOTSJWWWEKMS-KKJSVHSVSA-N 0 0 302.323 0.946 50 0 biogenic DCAARN Cc1cc(C(=O)NCCNC(=S)NC2CCCC2)nn1C ZINC000002740983 395681809 /nfs/dbraw/zinc/68/18/09/395681809.db2.gz FAVLHLRJUMYZFD-UHFFFAOYSA-N 0 0 309.439 0.865 50 0 DCAARN CCn1cc(/C=C2/N=C(SCC(N)=O)N(CC)C2=O)cn1 ZINC000002785477 395681881 /nfs/dbraw/zinc/68/18/81/395681881.db2.gz FCXKROYMRAQHJW-BJMVGYQFSA-N 0 0 307.379 0.681 50 0 DCAARN Nc1c(NC[C@@H]2CCCO2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000003272858 395682346 /nfs/dbraw/zinc/68/23/46/395682346.db2.gz NWLKCGNIXRBJHY-LBPRGKRZSA-N 0 0 316.361 0.758 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccccc3Cl)C(=O)[C@@]2(C)NN1 ZINC000004104477 395682523 /nfs/dbraw/zinc/68/25/23/395682523.db2.gz RANOWIOEBUKFBJ-XPTSAGLGSA-N 0 0 321.720 0.720 50 0 DCAARN CCCCn1nnnc1CN1C(=O)c2ccccc2S1(=O)=O ZINC000006842144 395683097 /nfs/dbraw/zinc/68/30/97/395683097.db2.gz KSSYHKJMRSOFHG-UHFFFAOYSA-N 0 0 321.362 0.818 50 0 DCAARN O=C(CNC(=O)c1ccco1)NCC(=O)Nc1ccc(F)cc1 ZINC000007915474 395683637 /nfs/dbraw/zinc/68/36/37/395683637.db2.gz VPMSXPTWASPLIM-UHFFFAOYSA-N 0 0 319.292 0.903 50 0 DCAARN CC(C)NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000008058232 395683884 /nfs/dbraw/zinc/68/38/84/395683884.db2.gz HETYGZYGTJOPRK-UHFFFAOYSA-N 0 0 314.363 0.261 50 0 DCAARN CNC(=O)COc1cccc(N[C@H](C)C(=O)N2CCOCC2)c1 ZINC000030492943 395702972 /nfs/dbraw/zinc/70/29/72/395702972.db2.gz ZXQZAPRXYNWNQW-GFCCVEGCSA-N 0 0 321.377 0.471 50 0 DCAARN CS(=O)(=O)NCCNC(=O)c1ccc(-n2ccnc2)cc1 ZINC000030650513 395703417 /nfs/dbraw/zinc/70/34/17/395703417.db2.gz QUTAJSDRXVBROC-UHFFFAOYSA-N 0 0 308.363 0.151 50 0 DCAARN C[C@@H]1C[C@H]1C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC000031423568 395706710 /nfs/dbraw/zinc/70/67/10/395706710.db2.gz NLGZLLYDURMZMI-DGCLKSJQSA-N 0 0 303.362 0.191 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)c1ccc(N2CCOCC2)nc1 ZINC000031398506 395706759 /nfs/dbraw/zinc/70/67/59/395706759.db2.gz GRJWOQDXMFLBFE-CYBMUJFWSA-N 0 0 315.377 0.933 50 0 DCAARN Cc1cc(C)n2ncc(-c3noc(C(=O)NCCCO)n3)c2n1 ZINC000032092912 395709434 /nfs/dbraw/zinc/70/94/34/395709434.db2.gz ISYNAUMKNPUBMD-UHFFFAOYSA-N 0 0 316.321 0.508 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)[C@H]3CCN(C)C(=O)C3)CCO2)[nH]1 ZINC000089289712 395709481 /nfs/dbraw/zinc/70/94/81/395709481.db2.gz FTKHPXJUPDRHAI-QWRGUYRKSA-N 0 0 321.381 0.135 50 0 DCAARN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC(C(N)=O)CC1 ZINC000032652123 395711999 /nfs/dbraw/zinc/71/19/99/395711999.db2.gz XOQYSMOFFFWRRK-DGCLKSJQSA-N 0 0 324.425 0.588 50 0 DCAARN C[C@@H](Cn1cc(Cl)cn1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000032648213 395712003 /nfs/dbraw/zinc/71/20/03/395712003.db2.gz HDESSUVVRQEBFX-WPRPVWTQSA-N 0 0 305.787 0.476 50 0 DCAARN C[C@H](C(=O)NC(N)=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000032804166 395713867 /nfs/dbraw/zinc/71/38/67/395713867.db2.gz FDVZZDSNZCGECW-SNVBAGLBSA-N 0 0 318.377 0.594 50 0 DCAARN COc1ccc(/C=C/C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000032822408 395713886 /nfs/dbraw/zinc/71/38/86/395713886.db2.gz KJDZWGOYFBRWOE-VMPITWQZSA-N 0 0 324.402 0.812 50 0 DCAARN O=C([C@H]1CNC(=O)N1)N1CCC(COc2ccccc2)CC1 ZINC000089845772 395716023 /nfs/dbraw/zinc/71/60/23/395716023.db2.gz IHKAAPCNEKHBPL-CQSZACIVSA-N 0 0 303.362 0.985 50 0 DCAARN CC1(C)Cc2cccc(OCCNC(=O)[C@@H]3CNC(=O)N3)c2O1 ZINC000089919708 395716365 /nfs/dbraw/zinc/71/63/65/395716365.db2.gz JKDYCAZQYABOIY-NSHDSACASA-N 0 0 319.361 0.577 50 0 DCAARN CN1CCN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1 ZINC000033324168 395717068 /nfs/dbraw/zinc/71/70/68/395717068.db2.gz MTLBAJMSHMYRDC-UHFFFAOYSA-N 0 0 300.362 0.943 50 0 DCAARN COCCn1ncc2c1nc(CNC(=O)OC(C)(C)C)[nH]c2=O ZINC000035287536 395720408 /nfs/dbraw/zinc/72/04/08/395720408.db2.gz OCKNCISTHVYCDP-UHFFFAOYSA-N 0 0 323.353 0.791 50 0 DCAARN Cn1c2ccc(S(=O)(=O)N3CCOCC3)cc2sc1=O ZINC000035483811 395720742 /nfs/dbraw/zinc/72/07/42/395720742.db2.gz RXTHWAGBGMRALL-UHFFFAOYSA-N 0 0 314.388 0.621 50 0 DCAARN CCN1CCN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1 ZINC000035416840 395720943 /nfs/dbraw/zinc/72/09/43/395720943.db2.gz SQGFASWHDGHHND-UHFFFAOYSA-N 0 0 311.407 0.420 50 0 DCAARN COc1cccc(COCC(=O)NCCN2CCOCC2)c1 ZINC000036391871 395723369 /nfs/dbraw/zinc/72/33/69/395723369.db2.gz ZZADSKRCLNMGFK-UHFFFAOYSA-N 0 0 308.378 0.660 50 0 DCAARN CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)/C=C/c1ccccc1 ZINC000027026730 395694720 /nfs/dbraw/zinc/69/47/20/395694720.db2.gz UFDWWHBIERTZBU-MYSGNRETSA-N 0 0 316.357 0.980 50 0 DCAARN COc1ccc(CN2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000027961890 395695524 /nfs/dbraw/zinc/69/55/24/395695524.db2.gz BLIGWTVQCDVASK-UHFFFAOYSA-N 0 0 313.423 0.619 50 0 DCAARN CN1C[C@@H](C(=O)N2CCN(Cc3ccccc3F)CC2)CC1=O ZINC000028427630 395696037 /nfs/dbraw/zinc/69/60/37/395696037.db2.gz CEEMOTOOIXPUNA-AWEZNQCLSA-N 0 0 319.380 0.948 50 0 DCAARN COCCn1nc(C(=O)N[C@@H](C)c2ccccn2)ccc1=O ZINC000028783446 395696268 /nfs/dbraw/zinc/69/62/68/395696268.db2.gz FYZNUWSGMZOJRT-NSHDSACASA-N 0 0 302.334 0.776 50 0 DCAARN Cc1noc([C@@H](C)N2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)n1 ZINC000084281603 395697194 /nfs/dbraw/zinc/69/71/94/395697194.db2.gz MEPKGGHBKYYOGE-YMTOWFKASA-N 0 0 307.354 0.844 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)NCc2cccnc2)CC1 ZINC000029315912 395697649 /nfs/dbraw/zinc/69/76/49/395697649.db2.gz ZFOIRDFORPIEQM-UHFFFAOYSA-N 0 0 312.395 0.305 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)NCCOc1ccc(F)cc1 ZINC000029296694 395697713 /nfs/dbraw/zinc/69/77/13/395697713.db2.gz RBTARPHVUWDTBQ-LLVKDONJSA-N 0 0 309.297 0.309 50 0 DCAARN CC(=O)N1CCN(C(=O)c2cccnc2N2CCOCC2)CC1 ZINC000039550966 395733048 /nfs/dbraw/zinc/73/30/48/395733048.db2.gz RZHKBBPSQUUVLO-UHFFFAOYSA-N 0 0 318.377 0.223 50 0 DCAARN Cc1nnc2n1[C@H](C)CN(C(=O)Cn1nc3ccccc3n1)C2 ZINC000096152213 395746673 /nfs/dbraw/zinc/74/66/73/395746673.db2.gz YFQLOUFWPWILCJ-SNVBAGLBSA-N 0 0 311.349 0.935 50 0 DCAARN CN1C(=O)CO[C@@H](C(=O)NCCCO)[C@@H]1c1ccc(F)cc1 ZINC000096181753 395747374 /nfs/dbraw/zinc/74/73/74/395747374.db2.gz UXHQXJKXSPEFGS-UONOGXRCSA-N 0 0 310.325 0.223 50 0 DCAARN CN1CCO[C@@H](CN(C(=O)[C@@H]2CCCO2)c2nccs2)C1 ZINC000095402114 395740646 /nfs/dbraw/zinc/74/06/46/395740646.db2.gz VVJPWRNMYJPYQS-NEPJUHHUSA-N 0 0 311.407 0.986 50 0 DCAARN O=C(CN[C@@H](C1CCOCC1)C(F)(F)F)N1CCOCC1 ZINC000096007176 395740803 /nfs/dbraw/zinc/74/08/03/395740803.db2.gz YUVFDLFZQPMGQU-LBPRGKRZSA-N 0 0 310.316 0.792 50 0 DCAARN O=C(CN1CC(c2nc(-c3ccco3)no2)C1)N1CCOCC1 ZINC000096096373 395744462 /nfs/dbraw/zinc/74/44/62/395744462.db2.gz JEWNMJJPJLCPBA-UHFFFAOYSA-N 0 0 318.333 0.588 50 0 DCAARN C[C@@]1(O)CCN(C(=O)c2ccc(N3CCCC3=O)cc2)C[C@@H]1O ZINC000096135696 395745829 /nfs/dbraw/zinc/74/58/29/395745829.db2.gz NZXAEKOPIOQLEH-WMLDXEAASA-N 0 0 318.373 0.771 50 0 DCAARN C[C@@H]1CN(C(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)CCO1 ZINC000096142814 395746335 /nfs/dbraw/zinc/74/63/35/395746335.db2.gz IGDYNPCAJBQBTM-DOMZBBRYSA-N 0 0 317.389 0.146 50 0 DCAARN O=C(NC1(c2nnn(CCO)n2)CCCC1)c1ccccc1 ZINC000096408059 395752855 /nfs/dbraw/zinc/75/28/55/395752855.db2.gz QCJUHPZTJIZXFK-UHFFFAOYSA-N 0 0 301.350 0.865 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CCN(c2nccn2C)CC1 ZINC000096418682 395753146 /nfs/dbraw/zinc/75/31/46/395753146.db2.gz DIOUGRFEXGJYBL-UHFFFAOYSA-N 0 0 303.366 0.916 50 0 DCAARN CC[C@@]1(C)NC(=O)N(CC(=O)N[C@H]2CCc3nccn3C2)C1=O ZINC000097198259 395755580 /nfs/dbraw/zinc/75/55/80/395755580.db2.gz HNDPZBCLRNXFEV-ZUZCIYMTSA-N 0 0 319.365 0.035 50 0 DCAARN CN(C)c1ccc(CNc2ncnc3c2cnn3CCO)cn1 ZINC000097200366 395755650 /nfs/dbraw/zinc/75/56/50/395755650.db2.gz DADGFEXEKAVMIN-UHFFFAOYSA-N 0 0 313.365 0.892 50 0 DCAARN CCc1nnc2n1C[C@@H](NC(=O)CCc1cnn(C)c1)CC2 ZINC000097198252 395755706 /nfs/dbraw/zinc/75/57/06/395755706.db2.gz KPHKJOKNUXWNBI-LBPRGKRZSA-N 0 0 302.382 0.638 50 0 DCAARN O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)C2=CCCCO2)CC1 ZINC000097212632 395756164 /nfs/dbraw/zinc/75/61/64/395756164.db2.gz KLSSKYGZKXGCSZ-UHFFFAOYSA-N 0 0 317.345 0.354 50 0 DCAARN O=C(NC[C@@H]1CCCO1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000042867955 395749647 /nfs/dbraw/zinc/74/96/47/395749647.db2.gz DWBSVUKFUDTVDV-STQMWFEESA-N 0 0 305.382 0.924 50 0 DCAARN Cc1c[nH]c(CN2CCN(C(=O)CC3CCC3)C[C@@H](O)C2)n1 ZINC000097572258 395759067 /nfs/dbraw/zinc/75/90/67/395759067.db2.gz AFCROVBLRJWERG-AWEZNQCLSA-N 0 0 306.410 0.913 50 0 DCAARN O=C([O-])[C@H]1CN(Cc2cn[nH]n2)CC[N@H+](Cc2ccco2)C1 ZINC000097634985 395759081 /nfs/dbraw/zinc/75/90/81/395759081.db2.gz CNMLJMCLUVFRFP-NSHDSACASA-N 0 0 305.338 0.416 50 0 DCAARN Cn1c(=O)cc(C(=O)NCCCOC2CCCCC2)n(C)c1=O ZINC000097602171 395759131 /nfs/dbraw/zinc/75/91/31/395759131.db2.gz BZMKIAARDMIFFQ-UHFFFAOYSA-N 0 0 323.393 0.553 50 0 DCAARN O=C([O-])c1cccc(C(=O)NCCC[N@H+]2CCC[C@@H](O)C2)c1 ZINC000097717020 395760305 /nfs/dbraw/zinc/76/03/05/395760305.db2.gz ZJDIDGFOODAZBO-CQSZACIVSA-N 0 0 306.362 0.961 50 0 DCAARN CCOC(=O)CS(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000097743323 395760513 /nfs/dbraw/zinc/76/05/13/395760513.db2.gz IGXXGOLIRLUANO-UHFFFAOYSA-N 0 0 307.368 0.584 50 0 DCAARN CCOC(=O)c1cn([C@H]2CC(=O)N(c3ccccc3)C2=O)nn1 ZINC000098063834 395761649 /nfs/dbraw/zinc/76/16/49/395761649.db2.gz XRXSZBANRNNPBR-LBPRGKRZSA-N 0 0 314.301 0.959 50 0 DCAARN CN(CC(N)=O)S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000045744630 395765331 /nfs/dbraw/zinc/76/53/31/395765331.db2.gz OHAVTBFFQMHBOQ-UHFFFAOYSA-N 0 0 312.269 0.691 50 0 DCAARN COc1ccc([C@@H](C)NC(=O)CN(C)S(C)(=O)=O)cc1F ZINC000046041804 395770110 /nfs/dbraw/zinc/77/01/10/395770110.db2.gz ZKGAHBDNUJGGIC-SECBINFHSA-N 0 0 318.370 0.903 50 0 DCAARN CN1C[C@H](C(=O)N2CCN(Cc3cccs3)CC2)CC1=O ZINC000046164575 395771588 /nfs/dbraw/zinc/77/15/88/395771588.db2.gz WLUGMCFVFPGZNV-GFCCVEGCSA-N 0 0 307.419 0.871 50 0 DCAARN CSCC[C@@H](NC(N)=O)C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000046278901 395774647 /nfs/dbraw/zinc/77/46/47/395774647.db2.gz ZBDYJECVEDJIQL-NWDGAFQWSA-N 0 0 323.418 0.896 50 0 DCAARN O=C(NCc1ccccc1Cn1cncn1)c1ccc(=O)[nH]c1 ZINC000046384966 395776170 /nfs/dbraw/zinc/77/61/70/395776170.db2.gz NWWJBVGTOLWTOV-UHFFFAOYSA-N 0 0 309.329 0.945 50 0 DCAARN CN(C(=O)NCCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000048264480 395811576 /nfs/dbraw/zinc/81/15/76/395811576.db2.gz HHNKNZWIGRZESN-LLVKDONJSA-N 0 0 300.384 0.102 50 0 DCAARN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCSCC1 ZINC000048600482 395818459 /nfs/dbraw/zinc/81/84/59/395818459.db2.gz HDJFKJRDQOJFCH-UHFFFAOYSA-N 0 0 300.405 0.831 50 0 DCAARN O=C(CN1C(=O)CCC1=O)N1CCN(Cc2ccsc2)CC1 ZINC000049027094 395827143 /nfs/dbraw/zinc/82/71/43/395827143.db2.gz VNBBWEBPQDIKOE-UHFFFAOYSA-N 0 0 321.402 0.541 50 0 DCAARN CNC(=O)C1CN([C@@H](C)C(=O)Nc2cc(OC)ccc2OC)C1 ZINC000225387647 395859459 /nfs/dbraw/zinc/85/94/59/395859459.db2.gz FPYNUCBHOLVEOJ-JTQLQIEISA-N 0 0 321.377 0.709 50 0 DCAARN CC(C)(C)c1ncc(C(=O)NCCNS(C)(=O)=O)s1 ZINC000049045975 395827252 /nfs/dbraw/zinc/82/72/52/395827252.db2.gz XXBNDHBLUNYBGK-UHFFFAOYSA-N 0 0 305.425 0.720 50 0 DCAARN Cc1nc(CN2CCN(C(=O)COC[C@H]3CCCO3)CC2)no1 ZINC000113179898 395827898 /nfs/dbraw/zinc/82/78/98/395827898.db2.gz WSWWVWHCTPFTII-CYBMUJFWSA-N 0 0 324.381 0.218 50 0 DCAARN CN(CCCOc1ccc(S(C)(=O)=O)cc1)CC(N)=O ZINC000049154748 395828396 /nfs/dbraw/zinc/82/83/96/395828396.db2.gz SNHWFJJVPMOJTF-UHFFFAOYSA-N 0 0 300.380 0.276 50 0 DCAARN COCc1nnc(NC(=O)c2cc(=O)c(OC)cn2C)s1 ZINC000049551205 395832562 /nfs/dbraw/zinc/83/25/62/395832562.db2.gz CRZWHFFIULGBRM-UHFFFAOYSA-N 0 0 310.335 0.644 50 0 DCAARN CNC(=O)[C@@H]1CN(Cc2cc(OC)c(O)c(OC)c2)CCO1 ZINC000225423022 395859858 /nfs/dbraw/zinc/85/98/58/395859858.db2.gz OHQNNFPZJARGFQ-ZDUSSCGKSA-N 0 0 310.350 0.356 50 0 DCAARN CCc1nc(C)c(C(=O)NCCN2CCCS2(=O)=O)s1 ZINC000050631109 395839312 /nfs/dbraw/zinc/83/93/12/395839312.db2.gz HNWJWHQEBJXNNQ-UHFFFAOYSA-N 0 0 317.436 0.779 50 0 DCAARN CNC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1SC ZINC000219151338 395844759 /nfs/dbraw/zinc/84/47/59/395844759.db2.gz HCYKVHXRXDEPOT-LLVKDONJSA-N 0 0 321.402 0.485 50 0 DCAARN CN(C)c1ccc(CCC(=O)NCc2noc(C(N)=O)n2)cc1 ZINC000219293054 395844859 /nfs/dbraw/zinc/84/48/59/395844859.db2.gz FZNYWIXHEISTHC-UHFFFAOYSA-N 0 0 317.349 0.484 50 0 DCAARN Cc1nnnn1CCCN1CCn2nc([C@@H](O)C3CC3)cc2C1 ZINC000219934961 395847103 /nfs/dbraw/zinc/84/71/03/395847103.db2.gz RNSXLCWCAHWDPZ-HNNXBMFYSA-N 0 0 317.397 0.527 50 0 DCAARN Cc1nonc1CC(=O)N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 ZINC000219891397 395847299 /nfs/dbraw/zinc/84/72/99/395847299.db2.gz QDRHOIJYIOEKED-OSAQELSMSA-N 0 0 316.361 0.814 50 0 DCAARN C[C@H](C(=O)NCCc1nc(N)cc(=O)[nH]1)n1cc(Cl)cn1 ZINC000220181346 395848090 /nfs/dbraw/zinc/84/80/90/395848090.db2.gz YQFAZRMJANOUET-SSDOTTSWSA-N 0 0 310.745 0.534 50 0 DCAARN CCO[C@H]1CN(C(=O)CCc2ccc3c(c2)OCO3)C[C@@H]1O ZINC000220362822 395848673 /nfs/dbraw/zinc/84/86/73/395848673.db2.gz KFNHNVYONHAXAK-WFASDCNBSA-N 0 0 307.346 0.956 50 0 DCAARN Cc1cc(CN2CCN(C[C@@H](O)Cn3cccn3)CC2)no1 ZINC000051254742 395849132 /nfs/dbraw/zinc/84/91/32/395849132.db2.gz VLFCTIOMBABSEC-OAHLLOKOSA-N 0 0 305.382 0.358 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)c1nc(N)nc2c1CCCC2 ZINC000220648777 395849601 /nfs/dbraw/zinc/84/96/01/395849601.db2.gz ZPPAQWNVBWGIOZ-SNVBAGLBSA-N 0 0 300.366 0.953 50 0 DCAARN CC[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1nc(C)no1 ZINC000220611762 395849821 /nfs/dbraw/zinc/84/98/21/395849821.db2.gz YTEWSRHLCCRBDL-QMMMGPOBSA-N 0 0 309.326 0.276 50 0 DCAARN NC(=O)[C@H]1CN(C(=O)NCc2ccc(Cl)s2)CCO1 ZINC000051687663 395853431 /nfs/dbraw/zinc/85/34/31/395853431.db2.gz DWIODRDLDKAMRF-MRVPVSSYSA-N 0 0 303.771 0.797 50 0 DCAARN COCc1noc(CCNC(=O)[C@@H]2Cc3ccccc3O2)n1 ZINC000222854116 395853528 /nfs/dbraw/zinc/85/35/28/395853528.db2.gz VLYDYOBGXVNCKU-LBPRGKRZSA-N 0 0 303.318 0.878 50 0 DCAARN CCO[C@@H]1COCC[C@H]1NC(=O)CNC(=O)c1ccccc1 ZINC000223153627 395853990 /nfs/dbraw/zinc/85/39/90/395853990.db2.gz ZOTVADSJJHTPHX-ZIAGYGMSSA-N 0 0 306.362 0.727 50 0 DCAARN CCCCS(=O)(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000053667830 395887610 /nfs/dbraw/zinc/88/76/10/395887610.db2.gz HJIRELIJDVDLDX-UHFFFAOYSA-N 0 0 316.427 0.491 50 0 DCAARN O=C(NCc1nnc2n1CCCC2)c1ccnc(-n2cncn2)c1 ZINC000054080437 395893272 /nfs/dbraw/zinc/89/32/72/395893272.db2.gz NPCWFYTVGVLCAW-UHFFFAOYSA-N 0 0 324.348 0.520 50 0 DCAARN Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)n1 ZINC000054662017 395903706 /nfs/dbraw/zinc/90/37/06/395903706.db2.gz AOHYSANOCSRIHJ-GHMZBOCLSA-N 0 0 313.379 0.519 50 0 DCAARN COc1ccc(OC)c(NC(=O)CN2CCN(C=O)CC2)c1 ZINC000055087882 395910713 /nfs/dbraw/zinc/91/07/13/395910713.db2.gz MGSHSLTWECJJHT-UHFFFAOYSA-N 0 0 307.350 0.416 50 0 DCAARN CC[C@H](C)n1nccc1NC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC000055269834 395915728 /nfs/dbraw/zinc/91/57/28/395915728.db2.gz CVUPVILLMFTFOP-JTQLQIEISA-N 0 0 305.338 0.651 50 0 DCAARN O=C(c1cn2ccccc2n1)N1CCC(N2CCNC2=O)CC1 ZINC000055786037 395921226 /nfs/dbraw/zinc/92/12/26/395921226.db2.gz JWSNDPTVCCNDBB-UHFFFAOYSA-N 0 0 313.361 0.964 50 0 DCAARN COc1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)cn1 ZINC000055786143 395921571 /nfs/dbraw/zinc/92/15/71/395921571.db2.gz QZRNLZWAMKILLW-UHFFFAOYSA-N 0 0 304.350 0.720 50 0 DCAARN O=C(NCCn1cccn1)c1cc(N2CCOCC2)ccn1 ZINC000130084031 395922007 /nfs/dbraw/zinc/92/20/07/395922007.db2.gz MGQKCNOKKOPFMH-UHFFFAOYSA-N 0 0 301.350 0.545 50 0 DCAARN Cc1ccc(O[C@H]2CCN(C(=O)Cn3ncccc3=O)C2)nc1 ZINC000238935465 395923066 /nfs/dbraw/zinc/92/30/66/395923066.db2.gz VLVGIDCTLZLBOP-ZDUSSCGKSA-N 0 0 314.345 0.627 50 0 DCAARN Cc1oncc1CN1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000238913524 395923175 /nfs/dbraw/zinc/92/31/75/395923175.db2.gz SJJGVQLSILBYNR-UHFFFAOYSA-N 0 0 314.411 0.441 50 0 DCAARN CCn1ccnc1CN1CCN([C@H]2CCN(C)C2=O)C[C@H]1C ZINC000241465968 395923751 /nfs/dbraw/zinc/92/37/51/395923751.db2.gz NTOAFTNPEHEJRW-KGLIPLIRSA-N 0 0 305.426 0.640 50 0 DCAARN COCCN(CC(=O)Nc1ccn(C)n1)Cc1nccs1 ZINC000244882788 395925733 /nfs/dbraw/zinc/92/57/33/395925733.db2.gz XZAIXJZZONDLOZ-UHFFFAOYSA-N 0 0 309.395 0.964 50 0 DCAARN Nc1nc(NCCSc2nc[nH]n2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244866646 395925944 /nfs/dbraw/zinc/92/59/44/395925944.db2.gz VZUBNKFSEHIEJG-OCAPTIKFSA-N 0 0 307.383 0.619 50 0 DCAARN Cn1ccnc1C(=O)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 ZINC000244882646 395926205 /nfs/dbraw/zinc/92/62/05/395926205.db2.gz XVTCWTODANXUNS-HZSPNIEDSA-N 0 0 300.362 0.927 50 0 DCAARN COCCN1CCCN(c2nccn3nc(C)cc23)CC1=O ZINC000225490585 395861519 /nfs/dbraw/zinc/86/15/19/395861519.db2.gz AORBVYIOXKCTGM-UHFFFAOYSA-N 0 0 303.366 0.723 50 0 DCAARN CC(C)C(=O)N[C@@H]1CCCN(C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000225717994 395862740 /nfs/dbraw/zinc/86/27/40/395862740.db2.gz KIHLXILUPKFJIB-QWHCGFSZSA-N 0 0 302.440 0.658 50 0 DCAARN CC(C)C(=O)N[C@H]1CCCN(C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000225718015 395862872 /nfs/dbraw/zinc/86/28/72/395862872.db2.gz KIHLXILUPKFJIB-STQMWFEESA-N 0 0 302.440 0.658 50 0 DCAARN Cc1cc(-c2noc(CNC(=O)c3cccn(C)c3=O)n2)no1 ZINC000225811605 395863651 /nfs/dbraw/zinc/86/36/51/395863651.db2.gz SAGUNXSLYYUHRA-UHFFFAOYSA-N 0 0 315.289 0.662 50 0 DCAARN Cc1nnc2c(N3CCN(C(=O)c4ccccn4)CC3)nccn12 ZINC000225799471 395863857 /nfs/dbraw/zinc/86/38/57/395863857.db2.gz JGCOCECZGJHGEQ-UHFFFAOYSA-N 0 0 323.360 0.790 50 0 DCAARN Cc1ncsc1C(=O)NCCn1nnc2ccccc2c1=O ZINC000225797965 395863926 /nfs/dbraw/zinc/86/39/26/395863926.db2.gz KCQVQJHCEXYURC-UHFFFAOYSA-N 0 0 315.358 0.986 50 0 DCAARN CC(C)c1cc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)[nH]n1 ZINC000052823212 395870430 /nfs/dbraw/zinc/87/04/30/395870430.db2.gz QCYFLTSTNIGZRN-JTQLQIEISA-N 0 0 314.411 0.687 50 0 DCAARN CC(C)S(=O)(=O)NC[C@@H]1CCCN([C@@H]2C[C@@H](C)OC2=O)C1 ZINC000229737744 395875627 /nfs/dbraw/zinc/87/56/27/395875627.db2.gz VFNOCBMKPASBTH-FRRDWIJNSA-N 0 0 318.439 0.730 50 0 DCAARN CCOC(=O)[C@H](C)N1CCC[C@@H](C(=O)N(C)CCOC)C1 ZINC000229797037 395876106 /nfs/dbraw/zinc/87/61/06/395876106.db2.gz XWKCJHFLIQFWLJ-QWHCGFSZSA-N 0 0 300.399 0.755 50 0 DCAARN CC(=O)N1CCC[C@H]1C(=O)N1CCN(Cc2cc(C)no2)CC1 ZINC000053354433 395880809 /nfs/dbraw/zinc/88/08/09/395880809.db2.gz KAGMVPVLJPFWOX-HNNXBMFYSA-N 0 0 320.393 0.638 50 0 DCAARN CNC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000053493011 395884815 /nfs/dbraw/zinc/88/48/15/395884815.db2.gz POAQKGHQSZYCTL-GHXNOFRVSA-N 0 0 309.391 0.944 50 0 DCAARN COc1cc(COC[C@H]([NH3+])C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000137353545 395950906 /nfs/dbraw/zinc/95/09/06/395950906.db2.gz HYSPNOMZFGNKBR-QMMMGPOBSA-N 0 0 300.267 0.541 50 0 DCAARN CCOC(=O)[C@@H](C)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000058439883 395953153 /nfs/dbraw/zinc/95/31/53/395953153.db2.gz SFVFFUWOKZCHCO-LLVKDONJSA-N 0 0 318.381 0.437 50 0 DCAARN COC(=O)CNC(=O)NCc1ccc2c(c1)CCN2C(C)=O ZINC000064968966 395989974 /nfs/dbraw/zinc/98/99/74/395989974.db2.gz YWHCONWHARQLCJ-UHFFFAOYSA-N 0 0 305.334 0.568 50 0 DCAARN COCCC1CCN(C(=O)CN(C)C(=O)c2ccnn2C)CC1 ZINC000065181350 395991120 /nfs/dbraw/zinc/99/11/20/395991120.db2.gz WNBRVYLYGXYZTF-UHFFFAOYSA-N 0 0 322.409 0.767 50 0 DCAARN CCN1C[C@@H](C(=O)Nc2cccc3c2C(=O)N(C)C3=O)CC1=O ZINC000253395384 396026316 /nfs/dbraw/zinc/02/63/16/396026316.db2.gz TZGJGALGAGGBAS-VIFPVBQESA-N 0 0 315.329 0.719 50 0 DCAARN CCn1ncc(CN2CC[C@@H]3CN(S(C)(=O)=O)[C@@H]3C2)c1C ZINC000253412332 396027340 /nfs/dbraw/zinc/02/73/40/396027340.db2.gz QQLOJOUZCCIFEG-TZMCWYRMSA-N 0 0 312.439 0.677 50 0 DCAARN CC(C)(C)OC(=O)CC[S@](=O)C[C@H]1CCS(=O)(=O)C1 ZINC000253431048 396028551 /nfs/dbraw/zinc/02/85/51/396028551.db2.gz NRSZWGCBHRSJAI-MGNBDDOMSA-N 0 0 310.437 0.902 50 0 DCAARN Cn1cc(CCC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cn1 ZINC000154013859 396028600 /nfs/dbraw/zinc/02/86/00/396028600.db2.gz GNIATLGWZNKUED-AWEZNQCLSA-N 0 0 316.409 0.871 50 0 DCAARN Cn1nccc1S(=O)(=O)N[C@@H]1CN(c2ccc(F)cc2)C1=O ZINC000253428950 396028922 /nfs/dbraw/zinc/02/89/22/396028922.db2.gz PZNUQNQXKKGQCG-LLVKDONJSA-N 0 0 324.337 0.253 50 0 DCAARN Cn1cc(CCC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cn1 ZINC000154013754 396028950 /nfs/dbraw/zinc/02/89/50/396028950.db2.gz GNIATLGWZNKUED-CQSZACIVSA-N 0 0 316.409 0.871 50 0 DCAARN Nc1nc([C@H]2C[C@@H](NC(=O)c3cc(CO)ccn3)C2)cc(=O)[nH]1 ZINC000253535282 396029746 /nfs/dbraw/zinc/02/97/46/396029746.db2.gz OGNUQFVECRFOFT-AOOOYVTPSA-N 0 0 315.333 0.328 50 0 DCAARN Cc1nnc([C@@H]2CCCN2CCn2c(=O)cc(C)[nH]c2=O)[nH]1 ZINC000253537412 396030652 /nfs/dbraw/zinc/03/06/52/396030652.db2.gz WQIXEODHLZUITH-NSHDSACASA-N 0 0 304.354 0.521 50 0 DCAARN CCOC(=O)CN1CCN(c2cc(N(C)CC)ncn2)CC1 ZINC000067692141 396030927 /nfs/dbraw/zinc/03/09/27/396030927.db2.gz PXEUAPBXCCWMQS-UHFFFAOYSA-N 0 0 307.398 0.618 50 0 DCAARN CCn1nc(C(=O)[O-])c2c1CC[C@H]([NH2+]CC(=O)NC(C)C)C2 ZINC000067726767 396031780 /nfs/dbraw/zinc/03/17/80/396031780.db2.gz BQOIAHKEIRUQHP-JTQLQIEISA-N 0 0 308.382 0.573 50 0 DCAARN Cc1ccn(CC(=O)N2CCC3(CC[C@H]3OCC(N)=O)CC2)n1 ZINC000257177869 396034033 /nfs/dbraw/zinc/03/40/33/396034033.db2.gz YENYNBDSTIKALM-CYBMUJFWSA-N 0 0 320.393 0.465 50 0 DCAARN Cn1nc(C(=O)N2CCOCCNC(=O)CC2)c2ccccc21 ZINC000257181854 396034339 /nfs/dbraw/zinc/03/43/39/396034339.db2.gz FZAIHNKRKYYPGW-UHFFFAOYSA-N 0 0 316.361 0.552 50 0 DCAARN CCn1cc(CN2C[C@@H](CO)[C@H](NC(=O)C3CCC3)C2)c(C)n1 ZINC000257187530 396035125 /nfs/dbraw/zinc/03/51/25/396035125.db2.gz LURGKDFVZUWMCI-JKSUJKDBSA-N 0 0 320.437 0.920 50 0 DCAARN Cn1cncc1C(=O)N[C@@H]1CN(Cc2ccccn2)C[C@H]1CO ZINC000257193763 396036077 /nfs/dbraw/zinc/03/60/77/396036077.db2.gz ZNAZWPMFXDLAAP-GXTWGEPZSA-N 0 0 315.377 0.038 50 0 DCAARN Cc1cn(CC(=O)N[C@@H](C)c2ncccc2C)c(=O)[nH]c1=O ZINC000067855317 396036485 /nfs/dbraw/zinc/03/64/85/396036485.db2.gz IZMKTMVDOWOBAK-NSHDSACASA-N 0 0 302.334 0.426 50 0 DCAARN C[N@@H+]1CCN(C(=O)CCc2[nH]nc3c2CCCC3)C[C@@H]1C(=O)[O-] ZINC000067871737 396037448 /nfs/dbraw/zinc/03/74/48/396037448.db2.gz LTBKSKYMSWGZHK-CQSZACIVSA-N 0 0 320.393 0.448 50 0 DCAARN O=C(NCCS(=O)(=O)NCC1CCC1)N1CCSCC1 ZINC000069124656 396070736 /nfs/dbraw/zinc/07/07/36/396070736.db2.gz UFUQZONDHSGQSN-UHFFFAOYSA-N 0 0 321.468 0.464 50 0 DCAARN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCC(C(N)=O)CC1 ZINC000252497879 396021942 /nfs/dbraw/zinc/02/19/42/396021942.db2.gz GCRYULPLFQDWGI-LLVKDONJSA-N 0 0 319.409 0.412 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000069739964 396088345 /nfs/dbraw/zinc/08/83/45/396088345.db2.gz HNULEOAEHNCRFP-OAHLLOKOSA-N 0 0 310.369 0.981 50 0 DCAARN Cc1ccc(C)c(CC(=O)N[C@H]2CCCN(CC(N)=O)C2)c1 ZINC000069739361 396088519 /nfs/dbraw/zinc/08/85/19/396088519.db2.gz KTRRBJXTEBTSKT-HNNXBMFYSA-N 0 0 303.406 0.912 50 0 DCAARN CC(C)c1nnc2n1CCN(C(=O)C1=NN(C)C(=O)CC1)C2 ZINC000069771307 396089730 /nfs/dbraw/zinc/08/97/30/396089730.db2.gz YPBYFWFOPQCENW-UHFFFAOYSA-N 0 0 304.354 0.352 50 0 DCAARN Cc1nccn1[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC000069776429 396090279 /nfs/dbraw/zinc/09/02/79/396090279.db2.gz QUNRPFRVVWYACL-LBPRGKRZSA-N 0 0 314.411 0.294 50 0 DCAARN CCCCC(=O)N1CCN([C@@H]2CCN(CCOC)C2=O)CC1 ZINC000169750520 396090784 /nfs/dbraw/zinc/09/07/84/396090784.db2.gz GKRUWGGNQFDUPW-CQSZACIVSA-N 0 0 311.426 0.568 50 0 DCAARN CCC(=O)N1CCN([C@]2(CC)CCN(C(=O)COC)C2)CC1 ZINC000169752027 396091103 /nfs/dbraw/zinc/09/11/03/396091103.db2.gz CUYRQNFFVABRRZ-MRXNPFEDSA-N 0 0 311.426 0.568 50 0 DCAARN CCOCC(=O)N1CC[C@@H](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000169781915 396092026 /nfs/dbraw/zinc/09/20/26/396092026.db2.gz JZXQLXWDIHOWBG-CYBMUJFWSA-N 0 0 318.439 0.543 50 0 DCAARN CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CS(=O)(=O)CC ZINC000069843673 396092338 /nfs/dbraw/zinc/09/23/38/396092338.db2.gz IRUZDODHHQGWPC-STQMWFEESA-N 0 0 302.440 0.896 50 0 DCAARN CNC(=O)N1CCC([C@@H]2CCN(C(=O)c3ccnn3C)C2)CC1 ZINC000169784370 396092567 /nfs/dbraw/zinc/09/25/67/396092567.db2.gz LPJPASGMAPLYED-CYBMUJFWSA-N 0 0 319.409 0.934 50 0 DCAARN COCC(=O)N1CC[C@@H](Oc2ncccc2C(=O)N(C)C)C1 ZINC000169792310 396094068 /nfs/dbraw/zinc/09/40/68/396094068.db2.gz LILNSJJJNMUUKY-LLVKDONJSA-N 0 0 307.350 0.410 50 0 DCAARN COc1c(=O)[nH]c(=O)[nH]c1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000170089492 396094447 /nfs/dbraw/zinc/09/44/47/396094447.db2.gz FUBXYLIPSAKPFL-UHFFFAOYSA-N 0 0 323.736 0.997 50 0 DCAARN Cc1cnn(C[C@@H]2CCCN2C(=O)CCNS(C)(=O)=O)c1 ZINC000069951901 396096051 /nfs/dbraw/zinc/09/60/51/396096051.db2.gz MGKDKWDFFQXEGU-LBPRGKRZSA-N 0 0 314.411 0.122 50 0 DCAARN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2COCCO2)C1 ZINC000170626273 396096348 /nfs/dbraw/zinc/09/63/48/396096348.db2.gz NKUYVRXHLKDOOF-QWHCGFSZSA-N 0 0 312.410 0.803 50 0 DCAARN O=C(CCN1CCO[C@H](Cn2cncn2)C1)N1CCCCC1 ZINC000069969878 396096347 /nfs/dbraw/zinc/09/63/47/396096347.db2.gz GBTSRJZWTCXTFL-AWEZNQCLSA-N 0 0 307.398 0.382 50 0 DCAARN COC(=O)c1c(C)nc(=O)[nH]c1S[C@H]1CCCCNC1=O ZINC000070004849 396097098 /nfs/dbraw/zinc/09/70/98/396097098.db2.gz OMBGFGAHSLNGIN-QMMMGPOBSA-N 0 0 311.363 0.626 50 0 DCAARN Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(C(N)=O)cn2)c1 ZINC000070003794 396097280 /nfs/dbraw/zinc/09/72/80/396097280.db2.gz DJSPICUUZAPHHZ-CYBMUJFWSA-N 0 0 313.361 0.990 50 0 DCAARN C[C@@H](NC(=O)CN1CCO[C@H](Cn2cncn2)C1)c1ccco1 ZINC000070011645 396097430 /nfs/dbraw/zinc/09/74/30/396097430.db2.gz KREHONZJQAAKGR-OLZOCXBDSA-N 0 0 319.365 0.449 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 ZINC000070007071 396097520 /nfs/dbraw/zinc/09/75/20/396097520.db2.gz DJADMYTUIGLAFZ-CQSZACIVSA-N 0 0 306.410 0.676 50 0 DCAARN Cc1nnc(NC(=O)Cn2nc3c(cc2=O)CSCC3)s1 ZINC000071286395 396111777 /nfs/dbraw/zinc/11/17/77/396111777.db2.gz OOSJKGPVDDGLSR-UHFFFAOYSA-N 0 0 323.403 0.831 50 0 DCAARN COc1ccc(OCC(=O)NC2CCN(CC(N)=O)CC2)cc1 ZINC000071795928 396115346 /nfs/dbraw/zinc/11/53/46/396115346.db2.gz VHVRSJVYORACSQ-UHFFFAOYSA-N 0 0 321.377 0.140 50 0 DCAARN C[C@@H]1NC(C(=O)N2CCSCC2)=NN(c2ccccc2)C1=O ZINC000071821000 396116282 /nfs/dbraw/zinc/11/62/82/396116282.db2.gz WVNALSCXAZSIDL-NSHDSACASA-N 0 0 318.402 0.900 50 0 DCAARN O=C([C@H]1CCCN(c2cnccn2)C1)N1CCCn2ncnc21 ZINC000071826916 396117324 /nfs/dbraw/zinc/11/73/24/396117324.db2.gz UAYSZGFKYCAYGP-LBPRGKRZSA-N 0 0 313.365 0.721 50 0 DCAARN COCCn1nc(C)c(CNC(=O)c2ccc[nH]c2=O)c1C ZINC000071830819 396117666 /nfs/dbraw/zinc/11/76/66/396117666.db2.gz JGVUIRORGRRTDB-UHFFFAOYSA-N 0 0 304.350 0.765 50 0 DCAARN CCOC(=O)N1CCC(NC(=O)COC(=O)C(C)(C)O)CC1 ZINC000071853913 396118758 /nfs/dbraw/zinc/11/87/58/396118758.db2.gz GKIQNGFHRGILMS-UHFFFAOYSA-N 0 0 316.354 0.038 50 0 DCAARN C[C@H](C(=O)N1CCCC[C@@H]1Cn1cccn1)N1CCOCC1 ZINC000071865414 396119381 /nfs/dbraw/zinc/11/93/81/396119381.db2.gz YIWPISJRTFORBK-HUUCEWRRSA-N 0 0 306.410 0.985 50 0 DCAARN C[C@@](O)(CN1CCO[C@H](Cn2cncn2)C1)c1ccccc1 ZINC000071876613 396121816 /nfs/dbraw/zinc/12/18/16/396121816.db2.gz DVDMNTXGLFFSEQ-JKSUJKDBSA-N 0 0 302.378 0.887 50 0 DCAARN CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2cccnc2)C1 ZINC000071914017 396125704 /nfs/dbraw/zinc/12/57/04/396125704.db2.gz VMAGUJUDYGXBEQ-UHFFFAOYSA-N 0 0 313.379 0.979 50 0 DCAARN CC(C)(O)CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000072304483 396130595 /nfs/dbraw/zinc/13/05/95/396130595.db2.gz VEISWSKRRMVCCY-AWEZNQCLSA-N 0 0 304.390 0.965 50 0 DCAARN Cc1noc(C)c1CN1CCN(C(=O)[C@H]2NCCO[C@@H]2C)CC1 ZINC000262364857 396131036 /nfs/dbraw/zinc/13/10/36/396131036.db2.gz VOSSYNVKOWQVIN-HIFRSBDPSA-N 0 0 322.409 0.313 50 0 DCAARN O=C(CN1CCO[C@H](Cn2cccn2)C1)NCc1ccco1 ZINC000069386947 396076705 /nfs/dbraw/zinc/07/67/05/396076705.db2.gz HBWTXKNDRAUMDL-AWEZNQCLSA-N 0 0 304.350 0.493 50 0 DCAARN Cc1ccc(CC(=O)N2CCN(C(=O)c3cn[nH]n3)CC2)cc1 ZINC000069374723 396076733 /nfs/dbraw/zinc/07/67/33/396076733.db2.gz KVIDNSVJPQZIGB-UHFFFAOYSA-N 0 0 313.361 0.640 50 0 DCAARN Cc1cnn([C@H]2CCCN(C(=O)CCNS(C)(=O)=O)C2)c1 ZINC000069454643 396078811 /nfs/dbraw/zinc/07/88/11/396078811.db2.gz ZAZOJOCNTPNOJO-LBPRGKRZSA-N 0 0 314.411 0.294 50 0 DCAARN CC(C)c1cc(N[C@@H](C)C(=O)N2CCOCC2)n2ncnc2n1 ZINC000069485374 396080229 /nfs/dbraw/zinc/08/02/29/396080229.db2.gz OLRQLYCMAPCLOD-NSHDSACASA-N 0 0 318.381 0.907 50 0 DCAARN COC(=O)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000069484458 396080474 /nfs/dbraw/zinc/08/04/74/396080474.db2.gz WDUSCKZFBIHUQB-IUCAKERBSA-N 0 0 302.396 0.612 50 0 DCAARN Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)on1 ZINC000069618704 396084409 /nfs/dbraw/zinc/08/44/09/396084409.db2.gz SFEQMKFZLSNNHG-AWEZNQCLSA-N 0 0 318.289 0.982 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)[C@H](N2CCN(c3ccccn3)CC2)C1 ZINC000075104345 396175802 /nfs/dbraw/zinc/17/58/02/396175802.db2.gz NUWLGYXSMBDISC-BFHYXJOUSA-N 0 0 305.378 0.516 50 0 DCAARN NC(=O)[C@@H]1CC(C(=O)Nn2cccc2)=NN1c1ccc(F)cc1 ZINC000075107543 396176083 /nfs/dbraw/zinc/17/60/83/396176083.db2.gz OZRYWBITLWQNHN-ZDUSSCGKSA-N 0 0 315.308 0.818 50 0 DCAARN COc1c([C@@H]2CCCN2CC(=O)N2CCNC2=O)c(C)nn1C ZINC000075605311 396182581 /nfs/dbraw/zinc/18/25/81/396182581.db2.gz DYIHZTHHXHZIIS-NSHDSACASA-N 0 0 321.381 0.426 50 0 DCAARN Cc1nnc([C@H]2CN(C(=O)[C@@H](C)Oc3cccnc3)CCO2)[nH]1 ZINC000076045660 396192627 /nfs/dbraw/zinc/19/26/27/396192627.db2.gz SORGCCZIRXDEAQ-ZWNOBZJWSA-N 0 0 317.349 0.876 50 0 DCAARN Cc1noc(CCCC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)n1 ZINC000076045566 396192753 /nfs/dbraw/zinc/19/27/53/396192753.db2.gz WLLWAPPCCJYBRK-LLVKDONJSA-N 0 0 320.353 0.727 50 0 DCAARN CCCc1nnc([C@@H]2CN(C(=O)CCn3ccnn3)CCO2)[nH]1 ZINC000076046092 396192782 /nfs/dbraw/zinc/19/27/82/396192782.db2.gz VNVBPODGKOIDDL-NSHDSACASA-N 0 0 319.369 0.339 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)CCCn3cncn3)CCO2)[nH]1 ZINC000076044873 396192896 /nfs/dbraw/zinc/19/28/96/396192896.db2.gz JCAINSBFHODXTD-NSHDSACASA-N 0 0 305.342 0.085 50 0 DCAARN CCc1ncncc1C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000076045141 396192906 /nfs/dbraw/zinc/19/29/06/396192906.db2.gz BVYORTFFYAJDHP-GFCCVEGCSA-N 0 0 302.338 0.679 50 0 DCAARN C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1N1CCOCC1 ZINC000076053105 396194636 /nfs/dbraw/zinc/19/46/36/396194636.db2.gz RDNKBOIDZDPPGV-KGLIPLIRSA-N 0 0 307.398 0.237 50 0 DCAARN COc1ccc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)nn1 ZINC000076053639 396194904 /nfs/dbraw/zinc/19/49/04/396194904.db2.gz JPUUUNVJHZYOKN-WCQYABFASA-N 0 0 306.366 0.278 50 0 DCAARN CCc1nnc(CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)o1 ZINC000076059569 396196158 /nfs/dbraw/zinc/19/61/58/396196158.db2.gz LXJVTXCDOLQJQL-VIFPVBQESA-N 0 0 304.354 0.834 50 0 DCAARN CN1C[C@H](NS(=O)(=O)c2cccc3nsnc32)CC1=O ZINC000281794167 396240359 /nfs/dbraw/zinc/24/03/59/396240359.db2.gz HJEIEECLFZQBTE-SSDOTTSWSA-N 0 0 312.376 0.200 50 0 DCAARN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCCS2(=O)=O)C1 ZINC000078442053 396244971 /nfs/dbraw/zinc/24/49/71/396244971.db2.gz PLBNNZLRHPETDA-NSHDSACASA-N 0 0 316.423 0.833 50 0 DCAARN CC(=O)Nc1ccc(S(=O)(=O)NCCCn2cncn2)cc1 ZINC000078745955 396252862 /nfs/dbraw/zinc/25/28/62/396252862.db2.gz NKFKPQGORPUNRG-UHFFFAOYSA-N 0 0 323.378 0.605 50 0 DCAARN Cn1c(CCNS(=O)(=O)c2c[nH]cn2)nc2ccc(F)cc21 ZINC000079017622 396260010 /nfs/dbraw/zinc/26/00/10/396260010.db2.gz RSNPJAGBIVFYCJ-UHFFFAOYSA-N 0 0 323.353 0.957 50 0 DCAARN COCCN(Cc1ccccn1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000264325578 396270999 /nfs/dbraw/zinc/27/09/99/396270999.db2.gz VIMFCAJCGJSPLC-OAHLLOKOSA-N 0 0 322.409 0.570 50 0 DCAARN COCCNC(=O)[C@H](C)n1cc(I)cn1 ZINC000079903778 396272608 /nfs/dbraw/zinc/27/26/08/396272608.db2.gz GSRITYSDHVTVLG-ZETCQYMHSA-N 0 0 323.134 0.811 50 0 DCAARN Cc1ncccc1C[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000178906747 396213903 /nfs/dbraw/zinc/21/39/03/396213903.db2.gz VFTYCZORVSCEDR-MRXNPFEDSA-N 0 0 318.421 0.413 50 0 DCAARN O=S(=O)(NC[C@@]1(O)CCOC1)c1ccc(F)c(Cl)c1 ZINC000178988486 396217629 /nfs/dbraw/zinc/21/76/29/396217629.db2.gz GGWYFSMMGZVKKS-NSHDSACASA-N 0 0 309.746 0.909 50 0 DCAARN CN1C[C@@H](CC(N)=O)Oc2ccc(C(=O)N3CCCC3)cc21 ZINC000077356617 396219479 /nfs/dbraw/zinc/21/94/79/396219479.db2.gz SYABCSYIMHZJTB-GFCCVEGCSA-N 0 0 303.362 0.995 50 0 DCAARN O=C(CCN1Cc2ccccc2C1=O)N1CCOC[C@H](O)C1 ZINC000077422407 396222383 /nfs/dbraw/zinc/22/23/83/396222383.db2.gz LBRNWTIUJFVFPU-CYBMUJFWSA-N 0 0 304.346 0.252 50 0 DCAARN CCCC(=O)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000077555492 396225665 /nfs/dbraw/zinc/22/56/65/396225665.db2.gz KWAOWYVKNZRHMD-UHFFFAOYSA-N 0 0 320.393 0.482 50 0 DCAARN Cc1cnn(CC(=O)NC[C@H](O)COc2ccc(F)cc2)c1 ZINC000077613453 396227199 /nfs/dbraw/zinc/22/71/99/396227199.db2.gz YELRLOVFNZDYGD-ZDUSSCGKSA-N 0 0 307.325 0.887 50 0 DCAARN COCCN1C[C@@H](C(=O)Nc2nnc(C3CCC3)[nH]2)CC1=O ZINC000184592633 396299254 /nfs/dbraw/zinc/29/92/54/396299254.db2.gz GSNQJDJJXDWAOL-JTQLQIEISA-N 0 0 307.354 0.506 50 0 DCAARN CNC(=O)C1CN(C(=O)CCc2nc(C3CCCC3)no2)C1 ZINC000186143102 396342663 /nfs/dbraw/zinc/34/26/63/396342663.db2.gz AXGGXNDPGGMICH-UHFFFAOYSA-N 0 0 306.366 0.864 50 0 DCAARN O=C(c1cc(=O)[nH]c(C2CC2)c1)N1CCC[C@@H](OCCO)C1 ZINC000186193978 396343820 /nfs/dbraw/zinc/34/38/20/396343820.db2.gz SBKFKAZAXPWNPI-CYBMUJFWSA-N 0 0 306.362 0.866 50 0 DCAARN COC(=O)[C@H](NCc1cncc(Br)c1)[C@@H](C)O ZINC000191963678 396427766 /nfs/dbraw/zinc/42/77/66/396427766.db2.gz FWTAILZKQMDYQP-GMSGAONNSA-N 0 0 303.156 0.856 50 0 DCAARN C[C@H]1CCN(Cc2cc(C(N)=O)cs2)CCS1(=O)=O ZINC000192046869 396429500 /nfs/dbraw/zinc/42/95/00/396429500.db2.gz UAAWYPYQKVPHCE-VIFPVBQESA-N 0 0 302.421 0.856 50 0 DCAARN O=C(NCc1nc(-c2ncccn2)no1)N1CCSCC1 ZINC000584890221 396633123 /nfs/dbraw/zinc/63/31/23/396633123.db2.gz VHAOQNKPPRTFKN-UHFFFAOYSA-N 0 0 306.351 0.785 50 0 DCAARN Cc1cccc2[nH]c(CCNC(=O)CN3CCOCC3)nc21 ZINC000584895913 396634665 /nfs/dbraw/zinc/63/46/65/396634665.db2.gz GXHVMBSJZCZAHT-UHFFFAOYSA-N 0 0 302.378 0.862 50 0 DCAARN CNC(=O)c1noc(CNC(=O)N2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC000584897864 396635620 /nfs/dbraw/zinc/63/56/20/396635620.db2.gz NOEUTXZHFPBZAX-AOOOYVTPSA-N 0 0 305.338 0.537 50 0 DCAARN CS(=O)(=O)N1CCC[C@H](Cn2cnc3ccncc3c2=O)C1 ZINC000584898092 396635792 /nfs/dbraw/zinc/63/57/92/396635792.db2.gz PNBSYGWSMUUWSY-LLVKDONJSA-N 0 0 322.390 0.463 50 0 DCAARN COCCn1cnnc1[C@@H](C)NC(=O)c1ccnc(OC)c1 ZINC000584904077 396637719 /nfs/dbraw/zinc/63/77/19/396637719.db2.gz WXQRGEQXBUFFOL-SNVBAGLBSA-N 0 0 305.338 0.819 50 0 DCAARN CCc1nc(CN2CCC[C@H]([C@]3(C)NC(=O)N(C)C3=O)C2)no1 ZINC000299754251 396714360 /nfs/dbraw/zinc/71/43/60/396714360.db2.gz QRTYIDNOGKTQPB-BONVTDFDSA-N 0 0 321.381 0.784 50 0 DCAARN Cn1nc(C(F)(F)F)cc1C(=O)NCc1nc(C(N)=O)co1 ZINC000617486861 396733982 /nfs/dbraw/zinc/73/39/82/396733982.db2.gz FQXQLBKALRVIKE-UHFFFAOYSA-N 0 0 317.227 0.456 50 0 DCAARN O=C(C[C@H]1NC(=O)N(c2ccccc2)C1=O)N1CCOCC1 ZINC000390825825 397302045 /nfs/dbraw/zinc/30/20/45/397302045.db2.gz GRLWGYXGYOUDRI-GFCCVEGCSA-N 0 0 303.318 0.360 50 0 DCAARN CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCS[C@H](C)C1 ZINC000390835431 397303086 /nfs/dbraw/zinc/30/30/86/397303086.db2.gz GWBHOMGPKMYLCZ-MNOVXSKESA-N 0 0 315.439 0.357 50 0 DCAARN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N=c1sc2ccccc2n1C ZINC000606443284 397681082 /nfs/dbraw/zinc/68/10/82/397681082.db2.gz XAQVSKZROWTLOG-CMPLNLGQSA-N 0 0 319.386 0.649 50 0 DCAARN CCO[C@@H](C)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 ZINC000058953001 286189530 /nfs/dbraw/zinc/18/95/30/286189530.db2.gz AWEIRIWIVMJWDF-AWEZNQCLSA-N 0 0 313.442 0.814 50 0 DCAARN COc1cc(OC)nc(N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NC(C)=O)n1 ZINC000223724392 286244270 /nfs/dbraw/zinc/24/42/70/286244270.db2.gz SXSZKCCXLQZAPE-GHORINQJSA-N 0 0 308.338 0.198 50 0 DCAARN CS(=O)(=O)N1CCCN(C(=O)NCc2ccoc2)CC1 ZINC000047087627 158002922 /nfs/dbraw/zinc/00/29/22/158002922.db2.gz WWKVJGMGYGDOME-UHFFFAOYSA-N 0 0 301.368 0.457 50 0 DCAARN C[C@H]1CCc2ccccc2N1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000078037298 158071863 /nfs/dbraw/zinc/07/18/63/158071863.db2.gz VNFNRPLFSDHMNM-LBPRGKRZSA-N 0 0 313.357 0.915 50 0 DCAARN C[C@@](O)(CNC(=O)C1(S(C)(=O)=O)CCCC1)C(F)(F)F ZINC000330507418 159182423 /nfs/dbraw/zinc/18/24/23/159182423.db2.gz MWGNQAMYMGLPSN-SECBINFHSA-N 0 0 317.329 0.773 50 0 DCAARN C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)CCCN1CCOCC1 ZINC000408243126 160067493 /nfs/dbraw/zinc/06/74/93/160067493.db2.gz CLGKSMKJDPLGPZ-ZIAGYGMSSA-N 0 0 320.455 0.274 50 0 DCAARN C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)CCCN1CCOCC1 ZINC000408243124 160067872 /nfs/dbraw/zinc/06/78/72/160067872.db2.gz CLGKSMKJDPLGPZ-KGLIPLIRSA-N 0 0 320.455 0.274 50 0 DCAARN CC[C@@H]1CCCCN1S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O ZINC000000092862 287014589 /nfs/dbraw/zinc/01/45/89/287014589.db2.gz HCGDXVQCAGBSQS-SECBINFHSA-N 0 0 301.368 0.325 50 0 DCAARN O=S(=O)(C[C@H]1CCCCO1)Nc1ccc(-n2cncn2)nc1 ZINC000150841212 287030652 /nfs/dbraw/zinc/03/06/52/287030652.db2.gz AUYNRTIAXIRECY-GFCCVEGCSA-N 0 0 323.378 0.973 50 0 DCAARN CCCCN1N=C(C)Cn2c1nc1c2c(=O)n(CC)c(=O)n1C ZINC000010328952 415149698 /nfs/dbraw/zinc/14/96/98/415149698.db2.gz RDDMDSOKPVPGBV-UHFFFAOYSA-N 0 0 318.381 0.913 50 0 DCAARN C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc[nH]c2=O)C[C@@H](C)O1 ZINC000021063422 415155523 /nfs/dbraw/zinc/15/55/23/415155523.db2.gz PMAMMHFUOMBRGR-VXGBXAGGSA-N 0 0 307.394 0.993 50 0 DCAARN Cc1cc(CN(C)C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)no1 ZINC000025138441 415157579 /nfs/dbraw/zinc/15/75/79/415157579.db2.gz OHGRIRFKIWGODY-UHFFFAOYSA-N 0 0 314.301 0.785 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)CNC(=O)c1ccccc1F ZINC000025047673 415158357 /nfs/dbraw/zinc/15/83/57/415158357.db2.gz JRIZFYBKOZGZCX-UHFFFAOYSA-N 0 0 304.325 0.948 50 0 DCAARN C[C@@H](Cc1ccco1)NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000025300898 415161127 /nfs/dbraw/zinc/16/11/27/415161127.db2.gz JVHRMWIVTLOUKK-JTQLQIEISA-N 0 0 315.395 0.242 50 0 DCAARN COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cnn(C)c1 ZINC000025305909 415162242 /nfs/dbraw/zinc/16/22/42/415162242.db2.gz WKMQLJDRATXLOI-UHFFFAOYSA-N 0 0 310.335 0.328 50 0 DCAARN O=C(c1cccc(CN2C(=O)CNC2=O)c1)N1CCOCC1 ZINC000025380240 415163487 /nfs/dbraw/zinc/16/34/87/415163487.db2.gz POEOBZGTOVTVHX-UHFFFAOYSA-N 0 0 303.318 0.211 50 0 DCAARN COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)NC(C)(C)C ZINC000004106673 415128329 /nfs/dbraw/zinc/12/83/29/415128329.db2.gz JDKJHAIDSWRPEG-SFYZADRCSA-N 0 0 304.368 0.584 50 0 DCAARN Cn1nnc2c1ncnc2N1CCN(C(=O)c2ccco2)CC1 ZINC000004941845 415129595 /nfs/dbraw/zinc/12/95/95/415129595.db2.gz WAOZNWRTPMXQEW-UHFFFAOYSA-N 0 0 313.321 0.314 50 0 DCAARN CC(C)(C)NC(=O)NC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000006906154 415135262 /nfs/dbraw/zinc/13/52/62/415135262.db2.gz CPFQQMDYXHUQJG-UHFFFAOYSA-N 0 0 302.338 0.964 50 0 DCAARN CC(=O)N1CCC[C@H](C(=O)NCc2c(C)cc(C)[nH]c2=O)C1 ZINC000007118697 415136288 /nfs/dbraw/zinc/13/62/88/415136288.db2.gz WOESONHKAAOGQP-ZDUSSCGKSA-N 0 0 305.378 0.866 50 0 DCAARN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc1ccco1 ZINC000007124118 415137060 /nfs/dbraw/zinc/13/70/60/415137060.db2.gz GSYDJNGBMNLUSU-UHFFFAOYSA-N 0 0 313.313 0.989 50 0 DCAARN NC(=O)C1CCN(c2ncnc3c2nc2n3CCCC2)CC1 ZINC000006937027 415137306 /nfs/dbraw/zinc/13/73/06/415137306.db2.gz FVGKYAWZYYDEGP-UHFFFAOYSA-N 0 0 300.366 0.864 50 0 DCAARN C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000026171032 415163902 /nfs/dbraw/zinc/16/39/02/415163902.db2.gz BEDIJCQOKPBANA-GHMZBOCLSA-N 0 0 303.366 0.920 50 0 DCAARN CCCN(C(=O)CSc1nc[nH]n1)[C@H]1CCS(=O)(=O)C1 ZINC000007778147 415139629 /nfs/dbraw/zinc/13/96/29/415139629.db2.gz AMAWCLRXLPEJCP-VIFPVBQESA-N 0 0 318.424 0.323 50 0 DCAARN CC(=O)c1cccc(S(=O)(=O)N(C)CC(=O)NC2CC2)c1 ZINC000007702675 415141104 /nfs/dbraw/zinc/14/11/04/415141104.db2.gz JMJOXNLYLQJWCB-UHFFFAOYSA-N 0 0 310.375 0.788 50 0 DCAARN CCOC(=O)c1cnn2c1nnn(-c1ccc(OC)cc1)c2=O ZINC000008757620 415146137 /nfs/dbraw/zinc/14/61/37/415146137.db2.gz QSJYVCPMJXRRLM-UHFFFAOYSA-N 0 0 315.289 0.461 50 0 DCAARN CCNC(=O)[C@@H](C)NC(=O)c1ccc(OC)c(OC)c1OC ZINC000026009021 415165292 /nfs/dbraw/zinc/16/52/92/415165292.db2.gz OCUQNHNCEFZVFQ-SECBINFHSA-N 0 0 310.350 0.967 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCO[C@H](C)C2)cc1C(N)=O ZINC000026766889 415167296 /nfs/dbraw/zinc/16/72/96/415167296.db2.gz OPLATSUXDGCXCJ-SECBINFHSA-N 0 0 314.363 0.204 50 0 DCAARN NS(=O)(=O)c1ccc(OCCSc2nc[nH]n2)cc1 ZINC000026911816 415167806 /nfs/dbraw/zinc/16/78/06/415167806.db2.gz MOUHLSCVHXFUPR-UHFFFAOYSA-N 0 0 300.365 0.623 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1nnc(C(C)C)s1 ZINC000026601133 415170184 /nfs/dbraw/zinc/17/01/84/415170184.db2.gz OTBHKSVIWKVWEB-UHFFFAOYSA-N 0 0 323.378 0.918 50 0 DCAARN CC(=O)N1CCCN([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000027565524 415172517 /nfs/dbraw/zinc/17/25/17/415172517.db2.gz KRJAKBITCNYMSM-JTQLQIEISA-N 0 0 307.402 0.135 50 0 DCAARN C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)n1cnc2ccccc21 ZINC000030604701 415183152 /nfs/dbraw/zinc/18/31/52/415183152.db2.gz LZWRNOSAYVCVIU-GHMZBOCLSA-N 0 0 307.375 0.901 50 0 DCAARN CCn1cnnc1CNC(=O)NC[C@H](O)c1ccccc1OC ZINC000041446064 415202644 /nfs/dbraw/zinc/20/26/44/415202644.db2.gz UYRCRJDINRMOFU-LBPRGKRZSA-N 0 0 319.365 0.839 50 0 DCAARN C[C@@H](C(N)=O)S(=O)(=O)Cc1cc2c(c(Cl)c1)OCO2 ZINC000044938199 415234060 /nfs/dbraw/zinc/23/40/60/415234060.db2.gz JXJHFUAJQBHDHA-LURJTMIESA-N 0 0 305.739 0.857 50 0 DCAARN Cc1cc(C)n(C[C@@H](C)CNC(=O)NCCN2CCOCC2)n1 ZINC000044946690 415234864 /nfs/dbraw/zinc/23/48/64/415234864.db2.gz UYXRPSZRVPHSFV-ZDUSSCGKSA-N 0 0 323.441 0.767 50 0 DCAARN Cn1c(=O)ccn(CC(=O)NCc2ccc(Cl)s2)c1=O ZINC000044918658 415235370 /nfs/dbraw/zinc/23/53/70/415235370.db2.gz QKERHTGCLYQJLR-UHFFFAOYSA-N 0 0 313.766 0.578 50 0 DCAARN CN(C)C(=O)N1CCN(C[C@@H](O)COCc2ccco2)CC1 ZINC000044917911 415236264 /nfs/dbraw/zinc/23/62/64/415236264.db2.gz VJXAHKSHTLWFED-CYBMUJFWSA-N 0 0 311.382 0.456 50 0 DCAARN O=C(NCc1ccoc1)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 ZINC000044967827 415237429 /nfs/dbraw/zinc/23/74/29/415237429.db2.gz HTVQNXXMENSRCR-GJZGRUSLSA-N 0 0 323.393 0.816 50 0 DCAARN CC(C)(C)c1nc(CN2CCC[C@H](NS(C)(=O)=O)C2)no1 ZINC000044977451 415239167 /nfs/dbraw/zinc/23/91/67/415239167.db2.gz JKXNCRLQCUUFGW-JTQLQIEISA-N 0 0 316.427 0.881 50 0 DCAARN C[C@H](C(=O)NCc1cnn(Cc2ccccc2)c1)S(C)(=O)=O ZINC000044952493 415239654 /nfs/dbraw/zinc/23/96/54/415239654.db2.gz DLSGIJMCYNALEZ-GFCCVEGCSA-N 0 0 321.402 0.981 50 0 DCAARN O=S(=O)(Cc1nnnn1-c1ccccc1)C[C@H]1CCCO1 ZINC000045359385 415248104 /nfs/dbraw/zinc/24/81/04/415248104.db2.gz XSMQPFDYXHULJP-GFCCVEGCSA-N 0 0 308.363 0.756 50 0 DCAARN CC(=O)N1CCN(C(=O)C2CCN(c3ncccn3)CC2)CC1 ZINC000045858974 415250623 /nfs/dbraw/zinc/25/06/23/415250623.db2.gz UNRDUVXKSRSMNA-UHFFFAOYSA-N 0 0 317.393 0.384 50 0 DCAARN CCOCCCn1cc2[nH]c(N3CCOCC3)ncc-2c1=O ZINC000046087991 415253805 /nfs/dbraw/zinc/25/38/05/415253805.db2.gz BZTUAEDPHBJUMU-UHFFFAOYSA-N 0 0 306.366 0.696 50 0 DCAARN CC(=O)N[C@H](C(=O)NCc1cccnc1-n1cncn1)C(C)C ZINC000047123065 415267710 /nfs/dbraw/zinc/26/77/10/415267710.db2.gz NZTISJXHUMFYSE-ZDUSSCGKSA-N 0 0 316.365 0.439 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N(CC(N)=O)C1CCCC1 ZINC000047281795 415267920 /nfs/dbraw/zinc/26/79/20/415267920.db2.gz TVFFZYRZPFKBCZ-UHFFFAOYSA-N 0 0 301.368 0.710 50 0 DCAARN CC(C)n1nccc1NC(=O)NCC1(C(N)=O)CCOCC1 ZINC000047362704 415269362 /nfs/dbraw/zinc/26/93/62/415269362.db2.gz YABQMKWXWCCFBN-UHFFFAOYSA-N 0 0 309.370 0.868 50 0 DCAARN C[C@H](NC(=O)c1nccnc1N)c1ccc2c(c1)NC(=O)CO2 ZINC000047511995 415270398 /nfs/dbraw/zinc/27/03/98/415270398.db2.gz XDGYDVDPEXOHRS-QMMMGPOBSA-N 0 0 313.317 0.881 50 0 DCAARN C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(CC(N)=O)C1=O ZINC000047360491 415271014 /nfs/dbraw/zinc/27/10/14/415271014.db2.gz NIDDVQPYJVTKDB-GFCCVEGCSA-N 0 0 315.251 0.958 50 0 DCAARN CN1N=C(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CCC1=O ZINC000047501970 415271282 /nfs/dbraw/zinc/27/12/82/415271282.db2.gz OAJJFTIVUNCYIK-UHFFFAOYSA-N 0 0 316.239 0.940 50 0 DCAARN NC(=O)CN1CCCN(C(=O)NCc2ccccc2F)CC1 ZINC000047672058 415278606 /nfs/dbraw/zinc/27/86/06/415278606.db2.gz DYRBNWHHYHNSOX-UHFFFAOYSA-N 0 0 308.357 0.528 50 0 DCAARN Cc1nn(C)c2ncc(C(=O)N[C@@H](C)CN3CCOCC3)cc12 ZINC000044534805 415220680 /nfs/dbraw/zinc/22/06/80/415220680.db2.gz QZLLJCGIYHXDSB-NSHDSACASA-N 0 0 317.393 0.727 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000044723173 415225841 /nfs/dbraw/zinc/22/58/41/415225841.db2.gz RTTSAQRDKGFSDF-CMPLNLGQSA-N 0 0 322.386 0.663 50 0 DCAARN COc1ccc(CC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000044720244 415226658 /nfs/dbraw/zinc/22/66/58/415226658.db2.gz AGOPIRYCBUFGJL-NSHDSACASA-N 0 0 315.366 0.928 50 0 DCAARN COC[C@H](C)NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000044908102 415231461 /nfs/dbraw/zinc/23/14/61/415231461.db2.gz CNVVMRYXAXOXEK-ZANVPECISA-N 0 0 322.340 0.397 50 0 DCAARN Cn1nnnc1SCCC(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000048262670 415287136 /nfs/dbraw/zinc/28/71/36/415287136.db2.gz ABUUCGXVQQNZBU-UHFFFAOYSA-N 0 0 324.341 0.569 50 0 DCAARN CCN(C[C@H]1CCOC1)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000048263395 415288193 /nfs/dbraw/zinc/28/81/93/415288193.db2.gz HDMCTXZLIPFLTO-CHWSQXEVSA-N 0 0 318.439 0.543 50 0 DCAARN COCCn1nc(C(=O)N(C)Cc2cccnc2)ccc1=O ZINC000048299871 415288290 /nfs/dbraw/zinc/28/82/90/415288290.db2.gz SKEQSWNMMDKCNB-UHFFFAOYSA-N 0 0 302.334 0.557 50 0 DCAARN O=C(COc1ccccc1)NCCNC(=O)Cn1cccn1 ZINC000048262905 415288504 /nfs/dbraw/zinc/28/85/04/415288504.db2.gz LHRMWYGNZXPPTP-UHFFFAOYSA-N 0 0 302.334 0.195 50 0 DCAARN CCCn1nc(C(=O)N2CCCC[C@@H]2C(=O)NC)ccc1=O ZINC000048312899 415289150 /nfs/dbraw/zinc/28/91/50/415289150.db2.gz ARJOKADOFXCPDG-GFCCVEGCSA-N 0 0 306.366 0.394 50 0 DCAARN C[C@H](NC(=O)NC(C(N)=O)C(N)=O)c1ccc(Cl)s1 ZINC000048448222 415290901 /nfs/dbraw/zinc/29/09/01/415290901.db2.gz JXYGWGXKEMYPLB-BYPYZUCNSA-N 0 0 304.759 0.101 50 0 DCAARN CS(=O)(=O)NC1(C(=O)NC[C@@H]2CCCO2)CCCCC1 ZINC000048963682 415299144 /nfs/dbraw/zinc/29/91/44/415299144.db2.gz PVSCKVCQPQHJTJ-NSHDSACASA-N 0 0 304.412 0.534 50 0 DCAARN C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CCS(C)(=O)=O)C2=O ZINC000049002101 415301052 /nfs/dbraw/zinc/30/10/52/415301052.db2.gz RWOHTFNQMKMYRO-NXEZZACHSA-N 0 0 302.396 0.778 50 0 DCAARN CS(=O)(=O)NCCCN1CCN(c2nccs2)CC1 ZINC000049000389 415302127 /nfs/dbraw/zinc/30/21/27/415302127.db2.gz VUTWYBDFKKGSRL-UHFFFAOYSA-N 0 0 304.441 0.204 50 0 DCAARN C[C@@H](CNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC000065427611 415357640 /nfs/dbraw/zinc/35/76/40/415357640.db2.gz YPTMYIIXMXQETA-RYUDHWBXSA-N 0 0 303.428 0.299 50 0 DCAARN Cc1cnc(N2CCC3(C[C@@H](C(=O)[O-])[N@H+](C)C3)CC2)nc1N ZINC000072154508 415410408 /nfs/dbraw/zinc/41/04/08/415410408.db2.gz SJGJVUPGCNTSHT-NSHDSACASA-N 0 0 305.382 0.743 50 0 DCAARN CC(C)c1cc(C(=O)N2CCN(CCn3cncn3)CC2)no1 ZINC000067741811 415382907 /nfs/dbraw/zinc/38/29/07/415382907.db2.gz GSPASPDJVGVNBX-UHFFFAOYSA-N 0 0 318.381 0.848 50 0 DCAARN Cn1nc([C@@H]2CCC[N@H+](CC(=O)[O-])C2)n(-c2ccccc2)c1=O ZINC000067712746 415385186 /nfs/dbraw/zinc/38/51/86/415385186.db2.gz FZUWELNPGHEAGL-GFCCVEGCSA-N 0 0 316.361 0.835 50 0 DCAARN Cc1cc(S(=O)(=O)NCc2nncn2C)c(F)cc1F ZINC000084077332 415491912 /nfs/dbraw/zinc/49/19/12/415491912.db2.gz YOODQNANJZTUCY-UHFFFAOYSA-N 0 0 302.306 0.880 50 0 DCAARN O=C(C[C@H]1C=CCC1)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000075141573 415438790 /nfs/dbraw/zinc/43/87/90/415438790.db2.gz FZKYQEIAQRWSLR-LSDHHAIUSA-N 0 0 321.421 0.392 50 0 DCAARN Cc1nnc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)n2)o1 ZINC000075163669 415441807 /nfs/dbraw/zinc/44/18/07/415441807.db2.gz SGNKOVCRQUQHFZ-UHFFFAOYSA-N 0 0 319.712 0.937 50 0 DCAARN CCc1nc([C@@H]2CCCN2CCCN2C(=O)CNC2=O)no1 ZINC000075573260 415447972 /nfs/dbraw/zinc/44/79/72/415447972.db2.gz DFZWCLVDPSYWDD-JTQLQIEISA-N 0 0 307.354 0.711 50 0 DCAARN Cc1ccc(=O)n(CC(=O)N2CCc3c(ncn3C3CC3)C2)n1 ZINC000095350234 415547869 /nfs/dbraw/zinc/54/78/69/415547869.db2.gz NVQVQHWROQBASJ-UHFFFAOYSA-N 0 0 313.361 0.668 50 0 DCAARN C[C@@H](C(=O)N1CCC[C@@H]1Cn1cccn1)N1CCN(C)CC1 ZINC000095364972 415553050 /nfs/dbraw/zinc/55/30/50/415553050.db2.gz SVHMWPKVSMIIEJ-LSDHHAIUSA-N 0 0 305.426 0.510 50 0 DCAARN CCN1C[C@@H](C(=O)NCc2nnnn2-c2ccccc2)CC1=O ZINC000095358182 415554708 /nfs/dbraw/zinc/55/47/08/415554708.db2.gz AESADFXOUPKOIA-NSHDSACASA-N 0 0 314.349 0.147 50 0 DCAARN Cc1nonc1OCCNC(=O)c1cnc(N(C)C)nc1C ZINC000095388175 415559049 /nfs/dbraw/zinc/55/90/49/415559049.db2.gz AHCZHUTZRJHMSB-UHFFFAOYSA-N 0 0 306.326 0.351 50 0 DCAARN CN(Cc1cscn1)C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000095955357 415565094 /nfs/dbraw/zinc/56/50/94/415565094.db2.gz UVFLKKWEVACWGW-UHFFFAOYSA-N 0 0 317.378 0.904 50 0 DCAARN Cc1ccsc1[C@H](O)CNS(=O)(=O)c1cn(C)cn1 ZINC000096025751 415572095 /nfs/dbraw/zinc/57/20/95/415572095.db2.gz PCHBLAYOIDFWOW-SECBINFHSA-N 0 0 301.393 0.802 50 0 DCAARN O=C(CN1C(=O)CCC1=O)N1CCC(Oc2ccccn2)CC1 ZINC000096024692 415572383 /nfs/dbraw/zinc/57/23/83/415572383.db2.gz PDNJORKFEZFWST-UHFFFAOYSA-N 0 0 317.345 0.600 50 0 DCAARN Cc1ccsc1[C@@H](O)CNS(=O)(=O)c1cn(C)cn1 ZINC000096025752 415573872 /nfs/dbraw/zinc/57/38/72/415573872.db2.gz PCHBLAYOIDFWOW-VIFPVBQESA-N 0 0 301.393 0.802 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN([C@@H](C(N)=O)c2ccccc2)C1 ZINC000106860513 415651654 /nfs/dbraw/zinc/65/16/54/415651654.db2.gz ILDKEEVBDRSINW-QWHCGFSZSA-N 0 0 311.407 0.227 50 0 DCAARN Cc1cccc2nc(C(=O)N3CCS(=O)(=O)CC3)c(F)n21 ZINC000097156133 415584444 /nfs/dbraw/zinc/58/44/44/415584444.db2.gz ZWOSKOGFNFLSGQ-UHFFFAOYSA-N 0 0 311.338 0.652 50 0 DCAARN CC(C)N1C(Br)=N[C@@H]2[C@H]1C(=O)N(C)C(=O)N2C ZINC000098086598 415591375 /nfs/dbraw/zinc/59/13/75/415591375.db2.gz QZCQGBJAOFXFKU-BQBZGAKWSA-N 0 0 303.160 0.680 50 0 DCAARN O=C(CN1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O)N1CCOCC1 ZINC000100509127 415592231 /nfs/dbraw/zinc/59/22/31/415592231.db2.gz PLHCDBTUOCTQFG-MNOVXSKESA-N 0 0 312.753 0.363 50 0 DCAARN CN(Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CC(=O)N(C)C1=O ZINC000102175556 415596937 /nfs/dbraw/zinc/59/69/37/415596937.db2.gz ZCTPTXGJSQKFKF-NSHDSACASA-N 0 0 300.318 0.112 50 0 DCAARN Cc1noc(COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)n1 ZINC000102717851 415598479 /nfs/dbraw/zinc/59/84/79/415598479.db2.gz WJGFKRYRHAQBJI-UWVGGRQHSA-N 0 0 305.290 0.372 50 0 DCAARN CCc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2=O)s1 ZINC000287390677 415668590 /nfs/dbraw/zinc/66/85/90/415668590.db2.gz NXNACWNWWLGRQU-MRVPVSSYSA-N 0 0 302.377 0.346 50 0 DCAARN OCC[C@]1(CNc2nccc(N3CCOCC3)n2)CCOC1 ZINC000154296417 415991378 /nfs/dbraw/zinc/99/13/78/415991378.db2.gz CXNPBRLQOVCXFT-OAHLLOKOSA-N 0 0 308.382 0.514 50 0 DCAARN CC[C@@]1(C)NC(=O)N(NC(=O)[C@H]2CSCCS2)C1=O ZINC000298207672 415995379 /nfs/dbraw/zinc/99/53/79/415995379.db2.gz JQXZOSFMZNJVHS-RDDDGLTNSA-N 0 0 303.409 0.587 50 0 DCAARN CC[C@@]1(C)NC(=O)N(NC(=O)COc2ccccc2OC)C1=O ZINC000298217499 415997481 /nfs/dbraw/zinc/99/74/81/415997481.db2.gz OXTYLVSBTWWYBB-OAHLLOKOSA-N 0 0 321.333 0.826 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)[C@@H]3CCS(=O)(=O)C3)nc2c1 ZINC000299773350 416065220 /nfs/dbraw/zinc/06/52/20/416065220.db2.gz FIUFABIQQFGJCK-SECBINFHSA-N 0 0 323.374 0.622 50 0 DCAARN COCCN1C[C@H](CNC(=O)c2ccncc2Cl)CC1=O ZINC000299765137 416065992 /nfs/dbraw/zinc/06/59/92/416065992.db2.gz WVGMUBBVAWDMKG-JTQLQIEISA-N 0 0 311.769 0.960 50 0 DCAARN Cc1cccc2[nH]c(CCNC(=O)CCNS(C)(=O)=O)nc21 ZINC000299769775 416066524 /nfs/dbraw/zinc/06/65/24/416066524.db2.gz UUVNUQIAMUUKGF-UHFFFAOYSA-N 0 0 324.406 0.469 50 0 DCAARN CSc1ncccc1C(=O)NCCCN1CCNC(=O)C1 ZINC000299776585 416066948 /nfs/dbraw/zinc/06/69/48/416066948.db2.gz DHBZVWYSQMPHSJ-UHFFFAOYSA-N 0 0 308.407 0.355 50 0 DCAARN O=C(CCCn1cnnn1)NC[C@H]1COc2ccccc2O1 ZINC000299775444 416067224 /nfs/dbraw/zinc/06/72/24/416067224.db2.gz FQABHNPADLEBNL-NSHDSACASA-N 0 0 303.322 0.410 50 0 DCAARN CCOCC(=O)N[C@@H]1CCN(Cc2csc(C)n2)C[C@H]1O ZINC000299783259 416067363 /nfs/dbraw/zinc/06/73/63/416067363.db2.gz ZLNDQERSDNSPHN-CHWSQXEVSA-N 0 0 313.423 0.539 50 0 DCAARN Cc1ccc(CC(=O)N2CCN3C(=O)CNC(=O)[C@H]3C2)cc1C ZINC000299781783 416068312 /nfs/dbraw/zinc/06/83/12/416068312.db2.gz RPNSRFMNAGCEBO-CQSZACIVSA-N 0 0 315.373 0.015 50 0 DCAARN CCc1cc(C[N@@H+]2C[C@H](CC(=O)[O-])[C@H](c3cn(C)nn3)C2)[nH]n1 ZINC000299790139 416068896 /nfs/dbraw/zinc/06/88/96/416068896.db2.gz AQTYBLWWUKBUNW-GXFFZTMASA-N 0 0 318.381 0.791 50 0 DCAARN CC(C)c1nnc([C@@H](C)NC(=O)c2c[nH]nc2-n2cnnn2)o1 ZINC000299791857 416069295 /nfs/dbraw/zinc/06/92/95/416069295.db2.gz HBZWGIFNTJRHNI-SSDOTTSWSA-N 0 0 317.313 0.383 50 0 DCAARN CC(=O)N1CCCC[C@H]1C(=O)NCCn1c(C)cc(C)nc1=O ZINC000299793705 416069617 /nfs/dbraw/zinc/06/96/17/416069617.db2.gz HVUNMZQNUGNZIF-AWEZNQCLSA-N 0 0 320.393 0.377 50 0 DCAARN Cc1cc2c(cn1)CN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)C2 ZINC000299788868 416069626 /nfs/dbraw/zinc/06/96/26/416069626.db2.gz WSPSSANDVHRWNU-ZDUSSCGKSA-N 0 0 309.391 0.656 50 0 DCAARN O=C(NC1CCN(c2cnccn2)CC1)c1c[nH]c(=O)cn1 ZINC000299799853 416071301 /nfs/dbraw/zinc/07/13/01/416071301.db2.gz UMDBFRMEFCMUQU-UHFFFAOYSA-N 0 0 300.322 0.371 50 0 DCAARN CC1(C)SC[C@@H](C(=O)N2CCc3c(nc[nH]c3=O)C2)NC1=O ZINC000299800002 416071829 /nfs/dbraw/zinc/07/18/29/416071829.db2.gz XNXZYILTZZRZGC-JTQLQIEISA-N 0 0 322.390 0.077 50 0 DCAARN O=C1NC[C@@H]2CN(c3ccnc4c(F)cccc34)CCN2C1=O ZINC000170608353 416027893 /nfs/dbraw/zinc/02/78/93/416027893.db2.gz SVYZHJHXPVBTOG-SNVBAGLBSA-N 0 0 314.320 0.521 50 0 DCAARN COC(=O)C1(C(=O)OC)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000309602364 416105734 /nfs/dbraw/zinc/10/57/34/416105734.db2.gz CKZPPMZDPBOOMP-UHFFFAOYSA-N 0 0 315.322 0.529 50 0 DCAARN O=C1NC(=O)C2(CCC(Nc3nccn4cnnc34)CC2)N1 ZINC000329285658 416161709 /nfs/dbraw/zinc/16/17/09/416161709.db2.gz OYDKMECSAPADPE-UHFFFAOYSA-N 0 0 301.310 1.102 50 0 DCAARN C[C@@H](CN1CCCC1=O)NC(=O)[C@H]1COCCN1C1CCCC1 ZINC000192190491 416302135 /nfs/dbraw/zinc/30/21/35/416302135.db2.gz XZXFZZPDFXFUHJ-DZGCQCFKSA-N 0 0 323.437 0.757 50 0 DCAARN COCCN1CCN([C@H](C)C(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC000247113760 416332629 /nfs/dbraw/zinc/33/26/29/416332629.db2.gz JCXSCIOWWWUCEA-KFWWJZLASA-N 0 0 313.442 0.323 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H]2CS[C@]3(C)CSCC(=O)N23)CCO1 ZINC000252474560 416334673 /nfs/dbraw/zinc/33/46/73/416334673.db2.gz HNXNBDBLAQGOBB-GBIKHYSHSA-N 0 0 316.448 0.641 50 0 DCAARN O=C(c1cnn2c1OCCC2)N1CC[C@H](Oc2cnccn2)C1 ZINC000225795940 416327766 /nfs/dbraw/zinc/32/77/66/416327766.db2.gz XVQUKAVZRGLRDO-NSHDSACASA-N 0 0 315.333 0.749 50 0 DCAARN O=C(Cc1cccs1)N1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000244708253 416331005 /nfs/dbraw/zinc/33/10/05/416331005.db2.gz KQCDLYCEEUBNHQ-UHFFFAOYSA-N 0 0 305.363 0.393 50 0 DCAARN CCOC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C ZINC000245391833 416331176 /nfs/dbraw/zinc/33/11/76/416331176.db2.gz AEGYBSUZFJXHMR-VIFPVBQESA-N 0 0 307.368 0.584 50 0 DCAARN Cn1ccc(NC(=O)CN2CCN(c3cccc(O)c3)CC2)n1 ZINC000244778623 416331213 /nfs/dbraw/zinc/33/12/13/416331213.db2.gz PTVOYHBQHNYROQ-UHFFFAOYSA-N 0 0 315.377 0.886 50 0 DCAARN CCc1cccc(NC(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c1 ZINC000585120084 416517246 /nfs/dbraw/zinc/51/72/46/416517246.db2.gz PTKZPKXBDCFBGB-RYUDHWBXSA-N 0 0 304.350 0.300 50 0 DCAARN CS(=O)(=O)C1(C(=O)N2CCCc3ccc(C(N)=O)nc32)CC1 ZINC000585114371 416517773 /nfs/dbraw/zinc/51/77/73/416517773.db2.gz WBVFGAQSPWFKRS-UHFFFAOYSA-N 0 0 323.374 0.037 50 0 DCAARN C[C@@H](NC(=O)Nc1ccc(C2CC2)nn1)C1N=NC(=O)N1C ZINC000585119992 416519008 /nfs/dbraw/zinc/51/90/08/416519008.db2.gz FDOSUUVFYIDNPP-SSDOTTSWSA-N 0 0 303.326 1.071 50 0 DCAARN C[C@]1(c2ccccc2)CN(C(=O)CCc2nnn[n-]2)CCO1 ZINC000585131960 416519700 /nfs/dbraw/zinc/51/97/00/416519700.db2.gz KQPJUPAFZPVIRM-OAHLLOKOSA-N 0 0 301.350 0.907 50 0 DCAARN Nc1nc([C@@H]2CCOC2)cc(N(CCO)Cc2ccco2)n1 ZINC000426371051 416762581 /nfs/dbraw/zinc/76/25/81/416762581.db2.gz NWTDQXVCGBIIFE-LLVKDONJSA-N 0 0 304.350 1.155 50 0 DCAARN O[C@@H](CN1CC[C@@H](Nc2ccc3nccn3n2)C1)C(F)(F)F ZINC000408523381 417167076 /nfs/dbraw/zinc/16/70/76/417167076.db2.gz JRLWNUBKZFLNMG-ZJUUUORDSA-N 0 0 315.299 1.139 50 0 DCAARN CCn1ncc(CNC(=O)N[C@@H]2CCCc3nn(C)cc32)n1 ZINC000527908847 417284897 /nfs/dbraw/zinc/28/48/97/417284897.db2.gz GGXFAQOGIWRMDG-GFCCVEGCSA-N 0 0 303.370 0.908 50 0 DCAARN CN1C(=O)COc2ccc(C(=O)NCCc3nnc[nH]3)cc21 ZINC000529433857 417462714 /nfs/dbraw/zinc/46/27/14/417462714.db2.gz ZIAFSDOTGZAEKK-UHFFFAOYSA-N 0 0 301.306 0.132 50 0 DCAARN COC[C@](O)(CNC(=O)c1cccn(C)c1=O)c1ccccc1 ZINC000575604293 417540110 /nfs/dbraw/zinc/54/01/10/417540110.db2.gz VVRJRJFBKCSSMT-QGZVFWFLSA-N 0 0 316.357 0.649 50 0 DCAARN CNC(=O)/C=C/CNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000575617854 417540871 /nfs/dbraw/zinc/54/08/71/417540871.db2.gz RKUIGSOUVUWNKL-ITDFMYJTSA-N 0 0 315.373 0.766 50 0 DCAARN O=C(Cc1ccc(F)cc1F)N1CC(CN2C(=O)COC2=O)C1 ZINC000575616834 417541544 /nfs/dbraw/zinc/54/15/44/417541544.db2.gz QEPAETXUFUBCRJ-UHFFFAOYSA-N 0 0 324.283 0.945 50 0 DCAARN C[C@@H]1OCCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@@H]1C(F)(F)F ZINC000622981823 417521223 /nfs/dbraw/zinc/52/12/23/417521223.db2.gz HFCJXRWEMQMSDB-CIUDSAMLSA-N 0 0 315.313 0.742 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)N(C[C@@H](C)O)C2CC2)C1 ZINC000655379115 418257191 /nfs/dbraw/zinc/25/71/91/418257191.db2.gz WQTFTGRHZXGSIJ-NEPJUHHUSA-N 0 0 318.439 0.420 50 0 DCAARN NS(=O)(=O)C[C@H]1CCN(C(=O)COc2cccc(F)c2)C1 ZINC000299772232 229422104 /nfs/dbraw/zinc/42/21/04/229422104.db2.gz STDGTNRFUXLTSE-JTQLQIEISA-N 0 0 316.354 0.342 50 0 DCAARN COCC(=O)N1CC[C@@H](NC(=O)c2cc(C)oc2C)[C@H](O)C1 ZINC000299784249 229437008 /nfs/dbraw/zinc/43/70/08/229437008.db2.gz WZKYRMFRRCNPHM-CHWSQXEVSA-N 0 0 310.350 0.234 50 0 DCAARN C[NH+](C)CCN(CC(=O)[O-])C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000322479269 261178356 /nfs/dbraw/zinc/17/83/56/261178356.db2.gz JXZJXLFCAAXIAM-XQRVVYSFSA-N 0 0 320.345 0.903 50 0 DCAARN CCc1nn(C)cc1CNC(=O)N1CCN(C[C@H](C)O)CC1 ZINC000354807805 261274298 /nfs/dbraw/zinc/27/42/98/261274298.db2.gz PTSZFAIRLXUFRI-LBPRGKRZSA-N 0 0 309.414 0.191 50 0 DCAARN O=C1OC[C@H]2CN(CCS(=O)(=O)c3ccccc3)CCN12 ZINC000363858473 262135232 /nfs/dbraw/zinc/13/52/32/262135232.db2.gz RSSIAMNLEWVYDA-GFCCVEGCSA-N 0 0 310.375 0.597 50 0 DCAARN COC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000452934270 271923826 /nfs/dbraw/zinc/92/38/26/271923826.db2.gz VPEOIKWCPNOYIN-GHMZBOCLSA-N 0 0 305.396 0.467 50 0 DCAARN Cc1cc2ncc3c(n2n1)CCN(C(=O)c1ccc(=O)n(C)n1)C3 ZINC000208036438 274730472 /nfs/dbraw/zinc/73/04/72/274730472.db2.gz VJMBXFJHPOEPMV-UHFFFAOYSA-N 0 0 324.344 0.330 50 0 DCAARN CC[C@@](C)(CNC(=O)N[C@H](C)c1nncn1C)N1CCOCC1 ZINC000065566924 276600812 /nfs/dbraw/zinc/60/08/12/276600812.db2.gz QYXUDKSOFXGUEH-DOMZBBRYSA-N 0 0 324.429 0.676 50 0 DCAARN CCn1c2nnc(-c3ccccc3)n2c2c1c(=O)[nH]c(=O)n2C ZINC000010963239 276712665 /nfs/dbraw/zinc/71/26/65/276712665.db2.gz RKDMBVXZXVBXQK-UHFFFAOYSA-N 0 0 310.317 0.758 50 0 DCAARN CN1CCN(C(=O)C2=NNC(=O)CC2)[C@@H](c2ccccc2)C1 ZINC000065608188 277088469 /nfs/dbraw/zinc/08/84/69/277088469.db2.gz KXPNMLXKIQECHT-CQSZACIVSA-N 0 0 300.362 0.768 50 0 DCAARN CS(=O)(=O)N1CCCN(C(=O)CCc2ccncc2)CC1 ZINC000051034929 277496060 /nfs/dbraw/zinc/49/60/60/277496060.db2.gz CAYRSCFDWHJMRH-UHFFFAOYSA-N 0 0 311.407 0.508 50 0 DCAARN CC(=O)N1CCCN(S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000040496157 278003250 /nfs/dbraw/zinc/00/32/50/278003250.db2.gz ZYOYOQPMWIUJLO-UHFFFAOYSA-N 0 0 303.428 0.517 50 0 DCAARN CC(C)c1c(C(=O)N2CCNC(=O)C2)cnn1-c1ccccn1 ZINC000040513430 278004674 /nfs/dbraw/zinc/00/46/74/278004674.db2.gz FJKRXNICADMVCV-UHFFFAOYSA-N 0 0 313.361 0.963 50 0 DCAARN CC(=O)[C@@H]1[C@H](c2cccnc2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000004003398 278232991 /nfs/dbraw/zinc/23/29/91/278232991.db2.gz BIEHCHUXQPTPAS-WCABBAIRSA-N 0 0 303.240 0.892 50 0 DCAARN CC[C@H](NC(C)=O)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000263586647 288033239 /nfs/dbraw/zinc/03/32/39/288033239.db2.gz WMDSMJVFXWGPFJ-MJBXVCDLSA-N 0 0 317.389 0.709 50 0 biogenic DCAARN CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000089941737 278567951 /nfs/dbraw/zinc/56/79/51/278567951.db2.gz VBDCHKGEKHFYDV-MWLCHTKSSA-N 0 0 301.412 0.185 50 0 DCAARN CC(C)C[C@H](C(=O)N(C)CCO)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000249689497 279071447 /nfs/dbraw/zinc/07/14/47/279071447.db2.gz WLMIRBFKDZDSED-MGPQQGTHSA-N 0 0 322.405 0.803 50 0 DCAARN CC(C)C[C@H]1NC(=O)N(CC(=O)NC(=O)NC(C)(C)C)C1=O ZINC000003596935 279229017 /nfs/dbraw/zinc/22/90/17/279229017.db2.gz ILFHKOPAJPERNK-SECBINFHSA-N 0 0 312.370 0.577 50 0 DCAARN CCOC1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000065552879 279670059 /nfs/dbraw/zinc/67/00/59/279670059.db2.gz QTAYTMXFFJIBHI-INIZCTEOSA-N 0 0 323.393 0.734 50 0 DCAARN O=C1[C@@H]2ON3CCOC[C@@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000106345325 280319865 /nfs/dbraw/zinc/31/98/65/280319865.db2.gz XYHVDHOGTZELOX-IJLUTSLNSA-N 0 0 308.721 0.844 50 0 DCAARN CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1N[C@@H]1C[C@@H](C)OC1=O ZINC000229829503 280432711 /nfs/dbraw/zinc/43/27/11/280432711.db2.gz ZHRBFGVNZMEBSY-WISYIIOYSA-N 0 0 304.412 0.340 50 0 DCAARN CC(C)c1noc([C@H]2CCCN2C(=O)CN2CC(=O)NC2=O)n1 ZINC000077353943 280735931 /nfs/dbraw/zinc/73/59/31/280735931.db2.gz SPGBMITZUXKIPM-SECBINFHSA-N 0 0 321.337 0.408 50 0 DCAARN CCn1ccnc1CN1CCN(CCS(C)(=O)=O)C[C@@H]1C ZINC000069464309 288717744 /nfs/dbraw/zinc/71/77/44/288717744.db2.gz OABMIHAUTZXEGW-ZDUSSCGKSA-N 0 0 314.455 0.454 50 0 DCAARN CN(C)S(=O)(=O)CCN1CCC[C@@](O)(C(F)(F)F)C1 ZINC000407950243 289242298 /nfs/dbraw/zinc/24/22/98/289242298.db2.gz JECXEQDPRBLQIP-VIFPVBQESA-N 0 0 304.334 0.267 50 0 DCAARN CN(CC(=O)Nc1nncs1)[C@H](C(N)=O)c1cccc(F)c1 ZINC000071900530 289485278 /nfs/dbraw/zinc/48/52/78/289485278.db2.gz HMUZSDSJPBQHGB-NSHDSACASA-N 0 0 323.353 0.774 50 0 DCAARN Cc1ccn2cc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)nc2c1 ZINC000041903602 292752205 /nfs/dbraw/zinc/75/22/05/292752205.db2.gz FMNOXGJELMTXDD-CQSZACIVSA-N 0 0 307.375 0.950 50 0 DCAARN Cc1noc(C)c1C(=O)N1CCc2nc(C)n(C)c(=O)c2CC1 ZINC000299769779 293921734 /nfs/dbraw/zinc/92/17/34/293921734.db2.gz QCBVZYAMACJJIE-UHFFFAOYSA-N 0 0 316.361 0.935 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)OC[C@H]1COc3ccccc3[C@@H]21 ZINC000001401551 294138172 /nfs/dbraw/zinc/13/81/72/294138172.db2.gz FZDZCSYWZKEFFE-SKDRFNHKSA-N 0 0 300.314 0.617 50 0 biogenic DCAARN Cn1c(=O)ccn(CC(=O)Nc2nc3c(s2)CCCC3)c1=O ZINC000030876481 294143877 /nfs/dbraw/zinc/14/38/77/294143877.db2.gz NNIXGKHOXWVIAF-UHFFFAOYSA-N 0 0 320.374 0.521 50 0 DCAARN Cn1ccn2ncc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)c12 ZINC000065507877 294397050 /nfs/dbraw/zinc/39/70/50/294397050.db2.gz QOUMPYFKMUOVCL-AWEZNQCLSA-N 0 0 323.356 0.725 50 0 DCAARN CO[C@H]1[C@H](OC(C)=O)[C@@H](C)O[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005673815 294683659 /nfs/dbraw/zinc/68/36/59/294683659.db2.gz PYFNMYOLTSCFQY-HVWSPFAKSA-N 0 0 304.295 0.173 50 0 DCAARN NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1 ZINC000000896918 295286904 /nfs/dbraw/zinc/28/69/04/295286904.db2.gz GJQPMPFPNINLKP-UHFFFAOYSA-N 0 0 305.164 0.288 50 0 fda DCAARN COc1cccc([C@H]2C(C(N)=O)=C(C)N=C3N=CNN32)c1OC ZINC000000071337 295326692 /nfs/dbraw/zinc/32/66/92/295326692.db2.gz DVNWFGBFFLSWEI-LBPRGKRZSA-N 0 0 315.333 0.722 50 0 DCAARN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CCOC[C@@]12CCOC2 ZINC000194387308 295553706 /nfs/dbraw/zinc/55/37/06/295553706.db2.gz GSNGSTHEXQOIAB-KRWDZBQOSA-N 0 0 316.357 0.742 50 0 DCAARN C[C@H](C(=O)NC(N)=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000186047775 298133775 /nfs/dbraw/zinc/13/37/75/298133775.db2.gz IHPQWICKQDCEBF-TZMCWYRMSA-N 0 0 305.378 0.903 50 0 DCAARN C[C@H]1COCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000026846994 300348616 /nfs/dbraw/zinc/34/86/16/300348616.db2.gz VGDQFJAOBHDJBW-VIFPVBQESA-N 0 0 312.347 0.427 50 0 DCAARN Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000262544381 301101229 /nfs/dbraw/zinc/10/12/29/301101229.db2.gz JUDOVDAJYCETCM-QMMMGPOBSA-N 0 0 303.322 0.178 50 0 DCAARN NC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F ZINC000072120868 303260730 /nfs/dbraw/zinc/26/07/30/303260730.db2.gz SDTAIFIDONMKBE-NSHDSACASA-N 0 0 315.295 0.881 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cc2nccnc2cc1F ZINC000286593624 303312034 /nfs/dbraw/zinc/31/20/34/303312034.db2.gz AKLHLAQGBNGFNL-KRTXAFLBSA-N 0 0 306.272 0.807 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2c([nH]c1=O)CCCC2 ZINC000408116008 303886447 /nfs/dbraw/zinc/88/64/47/303886447.db2.gz SKOMVUXLXXZZBR-SNVBAGLBSA-N 0 0 310.375 0.583 50 0 DCAARN Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2O ZINC000092028448 332117813 /nfs/dbraw/zinc/11/78/13/332117813.db2.gz AHDIGKXEBUZGEG-BETUJISGSA-N 0 0 320.389 0.350 50 0 DCAARN COCCn1ccc(C(=O)N[C@H]2CN(c3ccccc3)C2=O)n1 ZINC000253430935 333771549 /nfs/dbraw/zinc/77/15/49/333771549.db2.gz YOAIGERFALWQBJ-AWEZNQCLSA-N 0 0 314.345 0.675 50 0 DCAARN COc1c[nH]c(C(=O)NCc2nc(CC(C)C)no2)cc1=O ZINC000534587751 334292809 /nfs/dbraw/zinc/29/28/09/334292809.db2.gz FRLUYURHKIJMNZ-UHFFFAOYSA-N 0 0 306.322 0.895 50 0 DCAARN Cc1nnc([C@@H]2CCCN(C(=O)NCCn3cncn3)C2)[nH]1 ZINC000534649343 334317142 /nfs/dbraw/zinc/31/71/42/334317142.db2.gz DNQWJQSMGWUUKU-LLVKDONJSA-N 0 0 304.358 0.294 50 0 DCAARN Cc1nc(SCC(=O)NCc2noc([C@@H]3CCCO3)n2)n[nH]1 ZINC000534671676 334320532 /nfs/dbraw/zinc/32/05/32/334320532.db2.gz NZRSCAULJUALCT-QMMMGPOBSA-N 0 0 324.366 0.756 50 0 DCAARN O=C(NCCN1CCOCC1)C(=O)Nc1cc(F)ccc1F ZINC000023006463 337351518 /nfs/dbraw/zinc/35/15/18/337351518.db2.gz XAIJJUQRSOCLMK-UHFFFAOYSA-N 0 0 313.304 0.352 50 0 DCAARN COc1ccc(NC(=O)CN2CCCN(C)S2(=O)=O)cc1 ZINC000408524949 534076145 /nfs/dbraw/zinc/07/61/45/534076145.db2.gz CKCLQUHHEBJXCQ-UHFFFAOYSA-N 0 0 313.379 0.516 50 0 DCAARN Cc1cccc(=O)n1CCCNC(=O)[C@H]1CC(=O)N(C)C1(C)C ZINC000299778946 534580159 /nfs/dbraw/zinc/58/01/59/534580159.db2.gz PWWOHRYRBYUJQY-CYBMUJFWSA-N 0 0 319.405 0.920 50 0 DCAARN Cc1ncsc1CCC(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC000299772308 534791164 /nfs/dbraw/zinc/79/11/64/534791164.db2.gz XVXYMWNIGOKWGQ-JTQLQIEISA-N 0 0 317.436 0.521 50 0 DCAARN Cc1nnnn1CCC(=O)N[C@@H](CCO)c1ccc(C)cc1 ZINC000299782999 534873904 /nfs/dbraw/zinc/87/39/04/534873904.db2.gz IGSVRGWYYCVVLS-AWEZNQCLSA-N 0 0 303.366 0.920 50 0 DCAARN COc1cccc(OCC(=O)N2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000366300488 526227741 /nfs/dbraw/zinc/22/77/41/526227741.db2.gz ZGCJIUICIXWCQG-NSHDSACASA-N 0 0 306.318 0.737 50 0 DCAARN CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC[C@@](O)(CO)C1 ZINC000408520227 526415804 /nfs/dbraw/zinc/41/58/04/526415804.db2.gz WCXYUGQLIFDFMD-ABAIWWIYSA-N 0 0 314.382 0.342 50 0 DCAARN CCOC(=O)[C@@H](C)NC(=O)NCc1nc(-c2cc(C)on2)no1 ZINC000238862486 527731155 /nfs/dbraw/zinc/73/11/55/527731155.db2.gz KZIWTIGVNHDMAA-MRVPVSSYSA-N 0 0 323.309 0.784 50 0 DCAARN CCC(=O)N1CCN(C(=O)c2cccc3c2oc(=O)n3C)C1 ZINC000331369312 528325672 /nfs/dbraw/zinc/32/56/72/528325672.db2.gz HPHCEMBVZYBMRO-UHFFFAOYSA-N 0 0 303.318 0.783 50 0 DCAARN CCc1nnc([C@H]2CN(CC(=O)Nc3cccnc3)CCO2)[nH]1 ZINC000083830095 545697647 /nfs/dbraw/zinc/69/76/47/545697647.db2.gz VIUXQTVHZOHEDJ-GFCCVEGCSA-N 0 0 316.365 0.774 50 0 DCAARN Cn1c2c(nc1C1CC1)CN(C[C@@H](O)Cn1cccn1)CC2 ZINC000084310830 545699708 /nfs/dbraw/zinc/69/97/08/545699708.db2.gz XHDHMUZWNZLFKY-CYBMUJFWSA-N 0 0 301.394 0.913 50 0 DCAARN Cc1cnc(CN2CCO[C@@H](CNc3cccnn3)C2)cn1 ZINC000084258462 545700379 /nfs/dbraw/zinc/70/03/79/545700379.db2.gz QXEXOGWTGUNWCP-AWEZNQCLSA-N 0 0 300.366 0.888 50 0 DCAARN O=C([C@@H]1CC(=O)N(c2nccs2)C1)N1CCc2n[nH]cc2C1 ZINC000084618213 545702959 /nfs/dbraw/zinc/70/29/59/545702959.db2.gz QOWKGYZUQQLSQM-SECBINFHSA-N 0 0 317.374 0.804 50 0 DCAARN CCN(C(=O)CN1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O)C1CC1 ZINC000084761087 545703957 /nfs/dbraw/zinc/70/39/57/545703957.db2.gz HNHBELBCHHJCPF-MRXNPFEDSA-N 0 0 322.409 0.402 50 0 DCAARN CCc1c(C)cc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)c(=O)n1C ZINC000215754588 545937397 /nfs/dbraw/zinc/93/73/97/545937397.db2.gz OHJJIDVNNGVZLF-SNVBAGLBSA-N 0 0 310.375 0.297 50 0 DCAARN Cc1ccc2c(c1)c(CNC(=O)[C@@H](C)NS(C)(=O)=O)nn2C ZINC000222668776 545941415 /nfs/dbraw/zinc/94/14/15/545941415.db2.gz ZLKJOXAKOWXMRS-SNVBAGLBSA-N 0 0 324.406 0.436 50 0 DCAARN COc1ccccc1CC(=O)N1CC(N2C(=O)CCC2=O)C1 ZINC000238846707 545960250 /nfs/dbraw/zinc/96/02/50/545960250.db2.gz IMGJXUHGIPPBHW-UHFFFAOYSA-N 0 0 302.330 0.598 50 0 DCAARN Cc1csc(S(=O)(=O)N2CCN(C)[C@H](CCO)C2)c1 ZINC000670439505 547090857 /nfs/dbraw/zinc/09/08/57/547090857.db2.gz FHEIWVDDNQRPQU-LLVKDONJSA-N 0 0 304.437 0.744 50 0 DCAARN CCn1nc(C)c([C@H](C)NS(=O)(=O)N2CCOCC2)c1C ZINC000670445423 547093266 /nfs/dbraw/zinc/09/32/66/547093266.db2.gz OSZRHQOWAKWVOE-NSHDSACASA-N 0 0 316.427 0.747 50 0 DCAARN COC[C@H]1CCCN1S(=O)(=O)NCc1noc(C(C)C)n1 ZINC000670446643 547095213 /nfs/dbraw/zinc/09/52/13/547095213.db2.gz VAZMRTASECJGAY-SNVBAGLBSA-N 0 0 318.399 0.638 50 0 DCAARN Cn1nc(C(N)=O)c2c1CCN(C(=O)CCc1cccnc1)C2 ZINC000670456417 547097526 /nfs/dbraw/zinc/09/75/26/547097526.db2.gz LTPVOHXZCNPCMS-UHFFFAOYSA-N 0 0 313.361 0.432 50 0 DCAARN CCCN1C[C@@H](NS(=O)(=O)c2ccc3[nH]cnc3c2)CC1=O ZINC000670457633 547098000 /nfs/dbraw/zinc/09/80/00/547098000.db2.gz NVMRCCRRUWIXQR-JTQLQIEISA-N 0 0 322.390 0.852 50 0 DCAARN Cc1nncn1CCN1CCN(c2ccc3nccn3n2)CC1 ZINC000670474212 547102738 /nfs/dbraw/zinc/10/27/38/547102738.db2.gz XTMHKQDUQFMEJA-UHFFFAOYSA-N 0 0 312.381 0.451 50 0 DCAARN CCOCCO[C@H]1CCN(c2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000676729893 547808854 /nfs/dbraw/zinc/80/88/54/547808854.db2.gz VOMIEYGHXUDLAG-JTQLQIEISA-N 0 0 307.354 0.701 50 0 DCAARN CN(C)C(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1nnn(C)n1 ZINC000685939887 548745791 /nfs/dbraw/zinc/74/57/91/548745791.db2.gz YJWHKXQHYQGZBD-LLVKDONJSA-N 0 0 318.385 0.362 50 0 DCAARN CN(C)C(=O)[C@@H]1CC(=O)N(C2CN(c3ncc(Cl)cn3)C2)C1 ZINC000685941164 548746657 /nfs/dbraw/zinc/74/66/57/548746657.db2.gz UDBHNCXJZVRYPI-SECBINFHSA-N 0 0 323.784 0.255 50 0 DCAARN O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1ccc2c(c1)CCO2 ZINC000685942741 548747604 /nfs/dbraw/zinc/74/76/04/548747604.db2.gz VBLBUCFFJQUHTK-DZGCQCFKSA-N 0 0 315.329 0.921 50 0 DCAARN COC(=O)Cn1cc(CN2CCO[C@H](C(F)(F)F)C2)nn1 ZINC000685943679 548748267 /nfs/dbraw/zinc/74/82/67/548748267.db2.gz KNBVWOFMTWIDLJ-VIFPVBQESA-N 0 0 308.260 0.214 50 0 DCAARN O=c1cc(CNS(=O)(=O)c2ccc3c(c2)CCC3)[nH]c(=O)[nH]1 ZINC000888096450 661173592 /nfs/dbraw/zinc/17/35/92/661173592.db2.gz VLHJWXBYPRCLJQ-UHFFFAOYSA-N 0 0 321.358 0.855 50 0 DCAARN NC(=O)c1cccc2c1CCN(C(=O)N[C@H]1CC[S@@](=O)C1)C2 ZINC000888101590 661180498 /nfs/dbraw/zinc/18/04/98/661180498.db2.gz HCMHLCXEZGHMJQ-KPWVOAKYSA-N 0 0 321.402 0.374 50 0 DCAARN CCc1nn(C)c(Cl)c1CN1CC[N@H+](C)[C@@H](C(=O)[O-])C1 ZINC000257372067 659270364 /nfs/dbraw/zinc/27/03/64/659270364.db2.gz WTTIABMURHZMSL-LLVKDONJSA-N 0 0 300.790 0.837 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)c2ccncc2C(F)(F)F)CCO1 ZINC000192198087 659414032 /nfs/dbraw/zinc/41/40/32/659414032.db2.gz IQYGBRYKIKCXGC-VIFPVBQESA-N 0 0 303.240 0.427 50 0 DCAARN CC[C@@H](C)CCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)NC ZINC000585088599 661465221 /nfs/dbraw/zinc/46/52/21/661465221.db2.gz HKMILXBDFSJBPG-VXGBXAGGSA-N 0 0 318.439 0.574 50 0 DCAARN CC[C@@H](C)CCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)NC ZINC000585088596 661465239 /nfs/dbraw/zinc/46/52/39/661465239.db2.gz HKMILXBDFSJBPG-NEPJUHHUSA-N 0 0 318.439 0.574 50 0 DCAARN O=C(CCCN1CCCCC1=O)N1CCC[C@](O)(CO)CC1 ZINC000952974536 665835381 /nfs/dbraw/zinc/83/53/81/665835381.db2.gz WSYHDHSFHRMFNG-MRXNPFEDSA-N 0 0 312.410 0.515 50 0 DCAARN C[C@@H]1C[C@H](NC(=O)NC[C@H](O)COc2ccccc2)C(=O)O1 ZINC000874435592 665174899 /nfs/dbraw/zinc/17/48/99/665174899.db2.gz YTSCUYHPSAFCRZ-MDZLAQPJSA-N 0 0 308.334 0.430 50 0 DCAARN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(OC)ns2)C1 ZINC000863982627 667205673 /nfs/dbraw/zinc/20/56/73/667205673.db2.gz WPGCIAOCCGHOEE-UHFFFAOYSA-N 0 0 313.379 0.819 50 0 DCAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cc[nH]n1 ZINC000886024176 667725438 /nfs/dbraw/zinc/72/54/38/667725438.db2.gz YRJLMAHVDAJCPR-LLVKDONJSA-N 0 0 313.317 0.879 50 0 DCAARN C[C@@H]1CC[C@@H](NC(=O)NCCc2cnccn2)CS1(=O)=O ZINC000853958867 670508874 /nfs/dbraw/zinc/50/88/74/670508874.db2.gz AOOVFTCZYAGWLM-ZYHUDNBSSA-N 0 0 312.395 0.284 50 0 DCAARN Cn1ccnc1CN(CCO)C(=O)CSc1ccncc1 ZINC000952962431 685598407 /nfs/dbraw/zinc/59/84/07/685598407.db2.gz BQEGMUVTHOZLPC-UHFFFAOYSA-N 0 0 306.391 0.928 50 0 DCAARN Cn1nccc1C(=O)NCC1CCN(c2cnccn2)CC1 ZINC000952980973 685601180 /nfs/dbraw/zinc/60/11/80/685601180.db2.gz SYQMCRPNDZPZNV-UHFFFAOYSA-N 0 0 300.366 0.857 50 0 DCAARN CCN1C[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)CCC1=O ZINC000952990828 685602700 /nfs/dbraw/zinc/60/27/00/685602700.db2.gz XFSBBCWYCWCYOG-LLVKDONJSA-N 0 0 321.343 0.951 50 0 DCAARN CC(=O)c1ccc(S(N)(=O)=O)cc1N(C)CCn1cccn1 ZINC000952993375 685603762 /nfs/dbraw/zinc/60/37/62/685603762.db2.gz XAMGPTAOWNQORE-UHFFFAOYSA-N 0 0 322.390 0.870 50 0 DCAARN Cc1ccc(CN2C[C@@H](C(=O)N3CNC(=O)C3)CC2=O)cc1 ZINC000063882329 685062745 /nfs/dbraw/zinc/06/27/45/685062745.db2.gz MCAFDMDAXYGFPJ-ZDUSSCGKSA-N 0 0 301.346 0.259 50 0 DCAARN COCc1cc(N[C@@H](Cc2ccc(O)cc2)C(N)=O)ncn1 ZINC000095375010 685111845 /nfs/dbraw/zinc/11/18/45/685111845.db2.gz MVWOPROATLTHBD-ZDUSSCGKSA-N 0 0 302.334 0.837 50 0 DCAARN CCc1nn(C)c(OC)c1CNC(=O)CN1CCCCC1=O ZINC000180153228 685151277 /nfs/dbraw/zinc/15/12/77/685151277.db2.gz TVRMTSDNUDCRKB-UHFFFAOYSA-N 0 0 308.382 0.620 50 0 DCAARN O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1=NNC(=O)CC1 ZINC001704277896 1179959051 /nfs/dbraw/zinc/95/90/51/1179959051.db2.gz IPLDVRMJKHIMQM-DGCLKSJQSA-N 0 0 302.334 0.021 50 0 DCAARN CS(=O)(=O)CCN1CCC[C@@]2(CCc3cnc(N)nc32)C1 ZINC001704302264 1179966123 /nfs/dbraw/zinc/96/61/23/1179966123.db2.gz GLOAJKYMBPILDG-CQSZACIVSA-N 0 0 310.423 0.383 50 0 DCAARN Cc1ncc(CN2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)cn1 ZINC001704308661 1179968102 /nfs/dbraw/zinc/96/81/02/1179968102.db2.gz GTTJBJWFXAQQFB-LSDHHAIUSA-N 0 0 307.394 0.652 50 0 DCAARN O=C([O-])C[N@@H+]1C[C@@H]2COC[C@H](C1)N(Cc1cccc(O)c1)C2 ZINC001704311478 1179968939 /nfs/dbraw/zinc/96/89/39/1179968939.db2.gz LJHZQIFRZQOHIW-KBPBESRZSA-N 0 0 306.362 0.609 50 0 DCAARN CCc1cc(CN2C[C@H]3COC[C@@H]2C[N@H+](CC(=O)[O-])C3)on1 ZINC001704310522 1179969869 /nfs/dbraw/zinc/96/98/69/1179969869.db2.gz ZLPQABYUAYDPQY-AAEUAGOBSA-N 0 0 309.366 0.454 50 0 DCAARN CN(C)c1cc(N2CCC(c3nc(N)n[nH]3)CC2)nc(N)n1 ZINC001704312312 1179970072 /nfs/dbraw/zinc/97/00/72/1179970072.db2.gz INPRDIKKTWFQGD-UHFFFAOYSA-N 0 0 303.374 0.209 50 0 DCAARN COc1ccc(F)c(F)c1CN1C[C@@H]2COC[C@H](C1)NC2=O ZINC001704314327 1179971356 /nfs/dbraw/zinc/97/13/56/1179971356.db2.gz XYXZWNGUYJHGAN-ZJUUUORDSA-N 0 0 312.316 0.920 50 0 DCAARN CS(=O)(=O)c1cccc(C(=O)N(CCO)Cc2ncc[nH]2)c1 ZINC001704328362 1179973355 /nfs/dbraw/zinc/97/33/55/1179973355.db2.gz ZGZMGGFVOLMPPT-UHFFFAOYSA-N 0 0 323.374 0.448 50 0 DCAARN O=C(CCCn1cncn1)N1C[C@@H](Cc2ccccn2)[C@H](O)C1 ZINC001704347136 1179981481 /nfs/dbraw/zinc/98/14/81/1179981481.db2.gz FWSIDBFLRBQCQX-UKRRQHHQSA-N 0 0 315.377 0.515 50 0 DCAARN Cc1ncnc(C)c1C(=O)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704351091 1179982970 /nfs/dbraw/zinc/98/29/70/1179982970.db2.gz FJQFZLWLPYYPFX-TZMCWYRMSA-N 0 0 313.361 0.559 50 0 DCAARN O=C(CCNC(=O)c1ccccc1F)N[C@H]1CCCNC1=O ZINC001704350609 1179983221 /nfs/dbraw/zinc/98/32/21/1179983221.db2.gz CDWFTIADKYTXIV-LBPRGKRZSA-N 0 0 307.325 0.340 50 0 DCAARN CN(C)S(=O)(=O)N1CCCC[C@@H]1c1[nH]nc2c1COCC2 ZINC000675010711 748025551 /nfs/dbraw/zinc/02/55/51/748025551.db2.gz IWFDZGPQMQVQCQ-GFCCVEGCSA-N 0 0 314.411 0.816 50 0 DCAARN COCc1cn([C@@H]2CCN(C(=O)Cn3cc(C)cn3)C2)nn1 ZINC000675018552 748027141 /nfs/dbraw/zinc/02/71/41/748027141.db2.gz UQRXUSYYNDLFSG-CYBMUJFWSA-N 0 0 304.354 0.403 50 0 DCAARN CCCc1nnc2n1C[C@H]1CC[C@@H](C2)N1C(=O)COCCOC ZINC000675021329 748027665 /nfs/dbraw/zinc/02/76/65/748027665.db2.gz CSIZWKXYHYZZHQ-QWHCGFSZSA-N 0 0 322.409 0.809 50 0 DCAARN CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@H]1Cc2cncn2C1 ZINC000585087684 748523975 /nfs/dbraw/zinc/52/39/75/748523975.db2.gz GUKSTFAXWSILBS-CMPLNLGQSA-N 0 0 306.366 0.933 50 0 DCAARN CC(C)C1=NO[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000820723148 758153207 /nfs/dbraw/zinc/15/32/07/758153207.db2.gz ILEUAEFKIDTQBD-CYBMUJFWSA-N 0 0 303.366 0.926 50 0 DCAARN CCOCCN1CCCN(S(=O)(=O)N2CCCC2)CC1 ZINC000823331710 758236808 /nfs/dbraw/zinc/23/68/08/758236808.db2.gz PWZONDNWSQTWSS-UHFFFAOYSA-N 0 0 305.444 0.371 50 0 DCAARN CN1Cc2ccccc2C[C@@H]1CNS(=O)(=O)N1CCCC1 ZINC000823806261 758269716 /nfs/dbraw/zinc/26/97/16/758269716.db2.gz IIPRRVLJWHBFET-OAHLLOKOSA-N 0 0 309.435 0.973 50 0 DCAARN Cc1ncn(CCNS(=O)(=O)c2ccc(C(N)=O)cc2)c1C ZINC000826848847 758845502 /nfs/dbraw/zinc/84/55/02/758845502.db2.gz QGOLXZHGGOTLSN-UHFFFAOYSA-N 0 0 322.390 0.577 50 0 DCAARN CC(C)(CNC(=O)CCCN1CCCC1=O)N1CCOCC1 ZINC000828019604 758911395 /nfs/dbraw/zinc/91/13/95/758911395.db2.gz KYQIVEVAULGXRW-UHFFFAOYSA-N 0 0 311.426 0.616 50 0 DCAARN O=S(=O)(CC1CCCC1)N[C@H]1COC[C@@H]1N1CCCC1 ZINC000828388898 759002435 /nfs/dbraw/zinc/00/24/35/759002435.db2.gz GPKSLAHKAGNUGM-KBPBESRZSA-N 0 0 302.440 0.959 50 0 DCAARN COCCCn1c(C)cnc1[C@H]1CCN(S(C)(=O)=O)C1 ZINC000581815953 760255924 /nfs/dbraw/zinc/25/59/24/760255924.db2.gz KZPYWBPWCFLVDL-LBPRGKRZSA-N 0 0 301.412 0.977 50 0 DCAARN O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000585340844 768080667 /nfs/dbraw/zinc/08/06/67/768080667.db2.gz GXRXNIKPKVWJIH-VIFPVBQESA-N 0 0 307.285 0.728 50 0 DCAARN O=C(c1ccc(=O)[nH]n1)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000585341009 768080829 /nfs/dbraw/zinc/08/08/29/768080829.db2.gz LPCPJOFTSNOTCD-JTQLQIEISA-N 0 0 319.296 0.795 50 0 DCAARN NS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cccs1 ZINC000585085848 766271118 /nfs/dbraw/zinc/27/11/18/766271118.db2.gz DDQQPXDAFLDDDK-JTQLQIEISA-N 0 0 303.409 0.422 50 0 DCAARN O=C(NCCCN1CN=NC1=O)Nc1ccc(C2CC2)nn1 ZINC000585120012 766287497 /nfs/dbraw/zinc/28/74/97/766287497.db2.gz GGAIBJWNVHFONX-UHFFFAOYSA-N 0 0 303.326 0.863 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CCO[C@@H]2C(F)(F)F)c1Cl ZINC000585129217 766291184 /nfs/dbraw/zinc/29/11/84/766291184.db2.gz BXHJYHKCMJIASM-SSDOTTSWSA-N 0 0 319.692 0.983 50 0 DCAARN CC(C)(C)OC(=O)N1CC=CCN1CCN1C(=O)CNC1=O ZINC000585133228 766292882 /nfs/dbraw/zinc/29/28/82/766292882.db2.gz BHICGKXQGUDUAU-UHFFFAOYSA-N 0 0 310.354 0.562 50 0 DCAARN CCOC(=O)c1nc(N2CC(CO)(CO)C2)cc(C(C)(C)C)n1 ZINC000952882466 768950181 /nfs/dbraw/zinc/95/01/81/768950181.db2.gz MNEUYKHVPHYWGO-UHFFFAOYSA-N 0 0 323.393 0.742 50 0 DCAARN Cc1noc(-c2ccc(S(=O)(=O)NC(CO)CO)o2)c1C ZINC001506420766 941813945 /nfs/dbraw/zinc/81/39/45/941813945.db2.gz CLBDBMQKMIIJDG-UHFFFAOYSA-N 0 0 316.335 0.183 50 0 DCAARN CC(C)C(=O)N1CCC[C@H](Nc2cc3nncn3c(N)n2)C1 ZINC001529172355 1014514144 /nfs/dbraw/zinc/51/41/44/1014514144.db2.gz FOCZQIASEAZOHD-JTQLQIEISA-N 0 0 303.370 0.765 50 0 DCAARN CC1=C(C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)OCCO1 ZINC001506400782 1017256729 /nfs/dbraw/zinc/25/67/29/1017256729.db2.gz GHCVMIOADISDPK-LLVKDONJSA-N 0 0 303.380 0.548 50 0 DCAARN CCc1nc(CN2CCC3(CC2)N=C(N(C)C)NC3=O)no1 ZINC001506427018 1017269709 /nfs/dbraw/zinc/26/97/09/1017269709.db2.gz RAXGHROZZNJKDJ-UHFFFAOYSA-N 0 0 306.370 0.014 50 0 DCAARN COCCCNC(=O)[C@@H]1CCCN(c2ccc(OC)nn2)C1 ZINC000095476188 185373082 /nfs/dbraw/zinc/37/30/82/185373082.db2.gz NMPDFJRPFUZTCG-GFCCVEGCSA-N 0 0 308.382 0.854 50 0 DCAARN CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3ccno3)C2)n1 ZINC000225397857 201700874 /nfs/dbraw/zinc/70/08/74/201700874.db2.gz MZGWIOSXFUZHKB-SNVBAGLBSA-N 0 0 303.322 0.824 50 0 DCAARN CCS(=O)(=O)N1CC[C@H](Oc2cncc(N(C)C)n2)C1 ZINC000225407289 201703201 /nfs/dbraw/zinc/70/32/01/201703201.db2.gz PRJGNKHRWVBAMO-JTQLQIEISA-N 0 0 300.384 0.345 50 0 DCAARN O=C(CN1C[C@@H](Cc2ccccc2)CC1=O)N1CCOCC1 ZINC000095530602 185378825 /nfs/dbraw/zinc/37/88/25/185378825.db2.gz WURMKVUVJSDAPC-HNNXBMFYSA-N 0 0 302.374 0.936 50 0 DCAARN CC(C)[C@@H]1CN(C(=O)C2=NNC(=O)CC2)C[C@H]1NC(=O)N(C)C ZINC000095529424 185378933 /nfs/dbraw/zinc/37/89/33/185378933.db2.gz JPRXTPMQNCXGPN-CMPLNLGQSA-N 0 0 323.397 0.007 50 0 DCAARN CN(Cc1ccsc1)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000096758908 185386725 /nfs/dbraw/zinc/38/67/25/185386725.db2.gz CIGRDGQVJDBNNS-PLNGDYQASA-N 0 0 319.386 0.817 50 0 DCAARN COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H](C)C2CC2)c1 ZINC000078869747 185121279 /nfs/dbraw/zinc/12/12/79/185121279.db2.gz YQRRMDQMWJUBEI-SECBINFHSA-N 0 0 315.395 0.468 50 0 DCAARN COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C)C2CC2)c1 ZINC000078869746 185121372 /nfs/dbraw/zinc/12/13/72/185121372.db2.gz YQRRMDQMWJUBEI-VIFPVBQESA-N 0 0 315.395 0.468 50 0 DCAARN CCOc1cccc(NC(=O)N2CCN(CC(=O)NC)CC2)c1 ZINC000079067836 185153145 /nfs/dbraw/zinc/15/31/45/185153145.db2.gz QVIJVIDGSNHMEB-UHFFFAOYSA-N 0 0 320.393 0.981 50 0 DCAARN Cc1cccc(NC(=O)CCNC(=O)CNCC(F)(F)F)n1 ZINC000079044638 185148828 /nfs/dbraw/zinc/14/88/28/185148828.db2.gz XIHHQVZCTJJTAA-UHFFFAOYSA-N 0 0 318.299 0.987 50 0 DCAARN CCCc1nc(C[S@@](=O)[C@H](C)C(=O)NCCCOC)no1 ZINC000079324586 185165021 /nfs/dbraw/zinc/16/50/21/185165021.db2.gz IIUZSPTUPDCPHY-UZJPJQLHSA-N 0 0 317.411 0.812 50 0 DCAARN Cc1cc(C)nc(N2CCC(C(=O)Nc3nn[nH]n3)CC2)n1 ZINC000079486206 185173559 /nfs/dbraw/zinc/17/35/59/185173559.db2.gz OSGZIBZYGSLEOU-UHFFFAOYSA-N 0 0 302.342 0.462 50 0 DCAARN Cc1ccc(-n2cc(C(=O)N3CC[C@](C)(C(N)=O)C3)nn2)cc1 ZINC000225446405 201710751 /nfs/dbraw/zinc/71/07/51/201710751.db2.gz QNNOCGHIIIHXKT-INIZCTEOSA-N 0 0 313.361 0.913 50 0 DCAARN COCCN(C)C(=O)NCCc1nnc(-c2cccnc2)[nH]1 ZINC000426651363 536764046 /nfs/dbraw/zinc/76/40/46/536764046.db2.gz PMGXRWMBACHGRE-UHFFFAOYSA-N 0 0 304.354 0.697 50 0 DCAARN CC(=O)N1CCN(CCNC(=O)NCc2cccs2)CC1 ZINC000089954514 185271587 /nfs/dbraw/zinc/27/15/87/185271587.db2.gz OLORZTUVTBZEHL-UHFFFAOYSA-N 0 0 310.423 0.711 50 0 DCAARN C[C@H](C(=O)N1CCN(c2ccccc2)C(=O)C1)N1CCCC1=O ZINC000082096537 192355794 /nfs/dbraw/zinc/35/57/94/192355794.db2.gz AOUREQCLDJEEGK-CYBMUJFWSA-N 0 0 315.373 0.873 50 0 DCAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nn2cnnc2)cc1 ZINC000003261846 190617511 /nfs/dbraw/zinc/61/75/11/190617511.db2.gz IKYWUTJRKGRIRN-UHFFFAOYSA-N 0 0 323.378 0.693 50 0 DCAARN C[C@@H](CCn1cncn1)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000095408081 185356435 /nfs/dbraw/zinc/35/64/35/185356435.db2.gz BOYJTNNNLLPPRL-GXTWGEPZSA-N 0 0 319.409 0.822 50 0 DCAARN Cn1ccnc1C[C@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C)C2)C1 ZINC000095424942 185361481 /nfs/dbraw/zinc/36/14/81/185361481.db2.gz LXMKEDLGRWSKNS-CHWSQXEVSA-N 0 0 319.409 0.615 50 0 DCAARN O=C(CN1CCCS1(=O)=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000095430472 185362886 /nfs/dbraw/zinc/36/28/86/185362886.db2.gz CIZMHEALVKZNIU-NUEKZKHPSA-N 0 0 320.414 0.867 50 0 DCAARN COc1ccnc(N2CCC(C(=O)NCc3cn[nH]n3)CC2)n1 ZINC000097011659 185396848 /nfs/dbraw/zinc/39/68/48/185396848.db2.gz VLVVOMMWIPMZCH-UHFFFAOYSA-N 0 0 317.353 0.136 50 0 DCAARN CCc1ncnc(N2CCC[C@H](CNS(N)(=O)=O)C2)c1F ZINC000301955082 529761864 /nfs/dbraw/zinc/76/18/64/529761864.db2.gz DWGYGRCMYJTMPS-SECBINFHSA-N 0 0 317.390 0.188 50 0 DCAARN O=C(Nc1cccc(F)c1)N(CCO)[C@H]1CCS(=O)(=O)C1 ZINC000095443114 185366935 /nfs/dbraw/zinc/36/69/35/185366935.db2.gz YHJGVHDKRKVGCL-LBPRGKRZSA-N 0 0 316.354 0.839 50 0 DCAARN CCCN(C(=O)NC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000095444202 185367024 /nfs/dbraw/zinc/36/70/24/185367024.db2.gz SMBQWWMNYZGBIP-VXGBXAGGSA-N 0 0 304.412 0.774 50 0 DCAARN CCOC(=O)c1cn(C)nc1NC(=O)c1ccn(C)c(=O)c1 ZINC000095462392 185371009 /nfs/dbraw/zinc/37/10/09/185371009.db2.gz HFZLQHHQZWGODL-UHFFFAOYSA-N 0 0 304.306 0.548 50 0 DCAARN C[C@H](OC(=O)c1cn2ccccc2n1)C(=O)NC(=O)NC1CC1 ZINC000095469748 185372376 /nfs/dbraw/zinc/37/23/76/185372376.db2.gz MXNUPLNSIJUXPD-VIFPVBQESA-N 0 0 316.317 0.868 50 0 DCAARN Cc1noc(COC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)n1 ZINC000102800575 185422050 /nfs/dbraw/zinc/42/20/50/185422050.db2.gz NFMAJBIHAKIJFK-AOOOYVTPSA-N 0 0 307.306 0.596 50 0 DCAARN CNS(=O)(=O)C1CCN(C(=O)c2cn3ccccc3n2)CC1 ZINC000332260609 530013383 /nfs/dbraw/zinc/01/33/83/530013383.db2.gz SWTRMGNIKCWFGC-UHFFFAOYSA-N 0 0 322.390 0.488 50 0 DCAARN CN1C(=O)C[C@H](C(=O)NCCCc2nnc(N)s2)C1(C)C ZINC000299791216 530045000 /nfs/dbraw/zinc/04/50/00/530045000.db2.gz CQGVCJMNLWFIPP-MRVPVSSYSA-N 0 0 311.411 0.426 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)[C@H](OC)c2ccccc2)cn1 ZINC000183284630 199567493 /nfs/dbraw/zinc/56/74/93/199567493.db2.gz ZJZCIDABEQUWHA-CQSZACIVSA-N 0 0 302.334 0.955 50 0 DCAARN CCCCCS(=O)(=O)N1CCN(C(=O)NC2CC2)CC1 ZINC000069743358 190811818 /nfs/dbraw/zinc/81/18/18/190811818.db2.gz XTXZIEPEDHEXJA-UHFFFAOYSA-N 0 0 303.428 0.996 50 0 DCAARN Cn1c(-c2ccccc2)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000004386408 282553440 /nfs/dbraw/zinc/55/34/40/282553440.db2.gz YDHNSOMTIWBGPS-UHFFFAOYSA-N 0 0 309.329 0.890 50 0 DCAARN Cn1c2c(c(=O)n(C)c1=O)[C@H]1c3cc(N)ccc3OC[C@@H]1CO2 ZINC000006623960 282587897 /nfs/dbraw/zinc/58/78/97/282587897.db2.gz KTIHGMHJGBNFNA-PRHODGIISA-N 0 0 315.329 0.199 50 0 biogenic DCAARN Cc1cc(C(=O)NC[C@@H]2CCCO2)nc(N2CCOCC2)n1 ZINC000071195511 190940338 /nfs/dbraw/zinc/94/03/38/190940338.db2.gz MNEMPBLSRHGIPX-LBPRGKRZSA-N 0 0 306.366 0.530 50 0 DCAARN C[C@@H]1CN([C@@H]2CCN(c3ccccc3F)C2=O)C[C@@H](C(N)=O)O1 ZINC000083996125 192395262 /nfs/dbraw/zinc/39/52/62/192395262.db2.gz JOZMFILUDJVIFV-HONMWMINSA-N 0 0 321.352 0.506 50 0 DCAARN CC(C)c1nnc2sc(C[C@@H]3C(=O)N(C)C(=O)N3C)nn21 ZINC000071712221 191011546 /nfs/dbraw/zinc/01/15/46/191011546.db2.gz KDLZZFOPVWOGDH-SSDOTTSWSA-N 0 0 308.367 0.744 50 0 DCAARN O=C(CCn1cnnn1)N1CCO[C@H](Cc2cccc(F)c2)C1 ZINC000071748518 191020618 /nfs/dbraw/zinc/02/06/18/191020618.db2.gz WBNDXEHPMYBZKK-CQSZACIVSA-N 0 0 319.340 0.672 50 0 DCAARN CCOC(=O)CC1(CN2C(=O)c3ccccc3C2=O)OCCO1 ZINC000071769207 191028562 /nfs/dbraw/zinc/02/85/62/191028562.db2.gz PLCLCNVWOCOZHB-UHFFFAOYSA-N 0 0 319.313 0.979 50 0 DCAARN Cc1nc2c(cnn2C)c(N(C)C[C@H](C)N2CCOCC2)n1 ZINC000072148292 191054314 /nfs/dbraw/zinc/05/43/14/191054314.db2.gz GDHJJIQWDAKUCK-NSHDSACASA-N 0 0 304.398 0.829 50 0 DCAARN CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 ZINC000072151113 191056226 /nfs/dbraw/zinc/05/62/26/191056226.db2.gz QEFFSSCOWJLHFY-GFCCVEGCSA-N 0 0 313.760 0.916 50 0 DCAARN CN1C(=O)CO[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1 ZINC000072237924 191081774 /nfs/dbraw/zinc/08/17/74/191081774.db2.gz LPXNOBPHHLOIIU-LSDHHAIUSA-N 0 0 304.346 0.444 50 0 DCAARN CN1C(=O)CO[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1ccccc1 ZINC000072237992 191081809 /nfs/dbraw/zinc/08/18/09/191081809.db2.gz IKDIPZDDUGZAIS-IMJJTQAJSA-N 0 0 318.373 0.880 50 0 DCAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1COCCN1 ZINC000150704307 186057677 /nfs/dbraw/zinc/05/76/77/186057677.db2.gz LZXJHIGDFXHGBK-ZDUSSCGKSA-N 0 0 316.361 0.260 50 0 DCAARN CNS(=O)(=O)c1ccc(CNC(=O)N2CCOCC2)s1 ZINC000253413919 186310637 /nfs/dbraw/zinc/31/06/37/186310637.db2.gz BJOXJHLUFYPVEI-UHFFFAOYSA-N 0 0 319.408 0.198 50 0 DCAARN COc1cc(=O)n(C)cc1C(=O)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 ZINC000253397687 186305389 /nfs/dbraw/zinc/30/53/89/186305389.db2.gz FYIRRHNZUPQERG-MPKXVKKWSA-N 0 0 322.361 0.460 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CCC(N2C(=O)COC2=O)CC1 ZINC000253399230 186306231 /nfs/dbraw/zinc/30/62/31/186306231.db2.gz IOTVMDXEPFVROE-UHFFFAOYSA-N 0 0 321.333 0.804 50 0 DCAARN O=S1(=O)C[C@H]2[C@@H](C1)N(CC1CC1)CCN2Cc1c[nH]cn1 ZINC000072453833 191171778 /nfs/dbraw/zinc/17/17/78/191171778.db2.gz AQKXSGMSNCPFGM-KGLIPLIRSA-N 0 0 310.423 0.103 50 0 DCAARN COC(=O)c1ccc(C(=O)OC)c(N(C)S(C)(=O)=O)c1 ZINC000000149100 180708836 /nfs/dbraw/zinc/70/88/36/180708836.db2.gz MBYAZKUFPXGMFZ-UHFFFAOYSA-N 0 0 301.320 0.656 50 0 DCAARN Cn1cnnc1Sc1ccc(CN2CCC[C@](O)(CO)C2)o1 ZINC000072469736 191174990 /nfs/dbraw/zinc/17/49/90/191174990.db2.gz CFQRFBBUKQBURE-CQSZACIVSA-N 0 0 324.406 0.879 50 0 DCAARN Cc1cc(N)n(CC(=O)N2CCC3(CN(C)C(=O)O3)CC2)n1 ZINC000072472957 191175151 /nfs/dbraw/zinc/17/51/51/191175151.db2.gz BWYBGEAQNRAXMT-UHFFFAOYSA-N 0 0 307.354 0.217 50 0 DCAARN O=C(c1ccc[nH]1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 ZINC000072474333 191176726 /nfs/dbraw/zinc/17/67/26/191176726.db2.gz TVBCPHCFBCFCAA-GXTWGEPZSA-N 0 0 305.378 0.850 50 0 DCAARN C[C@@H](c1ccccc1)n1c(NN)nc2c1c(=O)n(C)c(=O)n2C ZINC000000193564 180721087 /nfs/dbraw/zinc/72/10/87/180721087.db2.gz XSWGXXOGWQRSGR-VIFPVBQESA-N 0 0 314.349 0.329 50 0 biogenic DCAARN CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NCCO ZINC000002453497 180924533 /nfs/dbraw/zinc/92/45/33/180924533.db2.gz YEWDDWUABJHLIK-UHFFFAOYSA-N 0 0 305.338 0.860 50 0 DCAARN Cn1nc2c(cc1=O)CN(C(=O)c1n[nH]c3ccccc31)CC2 ZINC000174433291 198334522 /nfs/dbraw/zinc/33/45/22/198334522.db2.gz XQEXQUQLCQUIPU-UHFFFAOYSA-N 0 0 309.329 0.855 50 0 DCAARN COC(=O)COC(=O)c1c(I)cnn1C ZINC000002766521 180954136 /nfs/dbraw/zinc/95/41/36/180954136.db2.gz IHIXKDCPGYZWOL-UHFFFAOYSA-N 0 0 324.074 0.355 50 0 DCAARN Cc1nnc(SCC(=O)N(C)c2ccccc2)n(N)c1=O ZINC000003303863 181002267 /nfs/dbraw/zinc/00/22/67/181002267.db2.gz UHYYQDBCSIQUDA-UHFFFAOYSA-N 0 0 305.363 0.416 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(Cl)cc1 ZINC000003306752 181002912 /nfs/dbraw/zinc/00/29/12/181002912.db2.gz QYKVZZMAOJFNHZ-LLVKDONJSA-N 0 0 310.737 0.844 50 0 DCAARN NS(=O)(=O)c1ccc(NC(=O)CNC(=O)c2ccco2)cc1 ZINC000003405318 181015934 /nfs/dbraw/zinc/01/59/34/181015934.db2.gz KAPKORNCEHWTMK-UHFFFAOYSA-N 0 0 323.330 0.296 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)Sc1nc2nc(C)cc(C)n2n1 ZINC000003430958 181018762 /nfs/dbraw/zinc/01/87/62/181018762.db2.gz PFOFLMBKDYCUDV-QMMMGPOBSA-N 0 0 308.367 0.677 50 0 DCAARN O=C(CN1C(=O)c2cccc3cccc(c32)C1=O)NCCCO ZINC000004006225 181061489 /nfs/dbraw/zinc/06/14/89/181061489.db2.gz GUGVWOLPOPTEEA-UHFFFAOYSA-N 0 0 312.325 0.934 50 0 DCAARN CC(C)(C)n1ncc2c1ncn(CC(=O)N1CCCC1)c2=O ZINC000004166198 181080940 /nfs/dbraw/zinc/08/09/40/181080940.db2.gz OFGNRKWECZIFSY-UHFFFAOYSA-N 0 0 303.366 0.970 50 0 DCAARN CCCc1cc(=O)[nH]c2nnc(SCC(=O)NC(C)C)n21 ZINC000004250294 181087898 /nfs/dbraw/zinc/08/78/98/181087898.db2.gz HTFJGHPTHMNBPW-UHFFFAOYSA-N 0 0 309.395 0.987 50 0 DCAARN CCN1CCN(CC(=O)Nc2cccc(OC)c2)C(=O)C1=O ZINC000004326310 181098023 /nfs/dbraw/zinc/09/80/23/181098023.db2.gz RCSMSNIRNIPOQO-UHFFFAOYSA-N 0 0 305.334 0.324 50 0 DCAARN Cc1cccc(NC(=O)CSc2nncc(=O)n2N)c1C ZINC000004338045 181099944 /nfs/dbraw/zinc/09/99/44/181099944.db2.gz OWTFLIIWTATEOS-UHFFFAOYSA-N 0 0 305.363 0.700 50 0 DCAARN COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000004779424 181151014 /nfs/dbraw/zinc/15/10/14/181151014.db2.gz LSYXCGSWHIIDSQ-QPJJXVBHSA-N 0 0 311.359 0.894 50 0 DCAARN O=C(NC(=S)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1F ZINC000004890704 181168681 /nfs/dbraw/zinc/16/86/81/181168681.db2.gz JWNVKUUJHVVVOU-MRVPVSSYSA-N 0 0 316.379 0.617 50 0 DCAARN Cc1cccc(NC(=O)C[C@H]([NH2+]CCOCCO)C(=O)[O-])c1 ZINC000004939482 181175631 /nfs/dbraw/zinc/17/56/31/181175631.db2.gz OGCKQEMJDPLMIP-ZDUSSCGKSA-N 0 0 310.350 0.375 50 0 DCAARN Cc1cc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)no1 ZINC000004942380 181177046 /nfs/dbraw/zinc/17/70/46/181177046.db2.gz WWQCLVLBDLKRQQ-NYKSNZNQSA-N 0 0 320.301 0.662 50 0 DCAARN CCNC(=O)NC(=O)CSc1nnnn1-c1cccc(F)c1 ZINC000005219987 181218617 /nfs/dbraw/zinc/21/86/17/181218617.db2.gz UFSOELJLMCLCTD-UHFFFAOYSA-N 0 0 324.341 0.739 50 0 DCAARN Cn1ncc2c1ncnc2SCC(=O)N1CCN(C)CC1 ZINC000089745573 192856539 /nfs/dbraw/zinc/85/65/39/192856539.db2.gz KJODGAAHNAVKBZ-UHFFFAOYSA-N 0 0 306.395 0.229 50 0 DCAARN Cc1nccn1CCN(C)C(=O)NCCc1nc(C)cc(=O)[nH]1 ZINC000426668256 240353627 /nfs/dbraw/zinc/35/36/27/240353627.db2.gz GGEGDHYSOHZVMK-UHFFFAOYSA-N 0 0 318.381 0.880 50 0 DCAARN O=C([C@@H]1CCCCC(=O)N1)N1CCN(c2ccccn2)CC1 ZINC000193675677 296008024 /nfs/dbraw/zinc/00/80/24/296008024.db2.gz KPQDVRCSKNKOQW-ZDUSSCGKSA-N 0 0 302.378 0.789 50 0 DCAARN O=C(NC[C@]1(O)CCSC1)[C@H]1COCCN1C1CCCC1 ZINC000189204284 200363963 /nfs/dbraw/zinc/36/39/63/200363963.db2.gz QQBLCDOEBTYESG-UKRRQHHQSA-N 0 0 314.451 0.614 50 0 DCAARN O=C(O[C@H]1CCOC1=O)c1cccnc1S[C@@H]1CCOC1=O ZINC000006012550 181306351 /nfs/dbraw/zinc/30/63/51/181306351.db2.gz CUZYBWCXMIFJOX-VHSXEESVSA-N 0 0 323.326 0.962 50 0 DCAARN COc1ccc([C@H](NS(=O)(=O)N(C)C)[C@H]2C[C@@H](O)C2)cn1 ZINC000244719007 202490709 /nfs/dbraw/zinc/49/07/09/202490709.db2.gz LUXSOKBEYCDGSQ-LOWVWBTDSA-N 0 0 315.395 0.298 50 0 DCAARN Nc1ccccc1C1=NC(=O)[C@]2(CC(c3ccccc3)=NN2)NN1 ZINC000012528115 283680251 /nfs/dbraw/zinc/68/02/51/283680251.db2.gz CSWLGVDYAMAPIU-KRWDZBQOSA-N 0 0 320.356 0.744 50 0 DCAARN CN(C)C(=O)CN(CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000408522766 239271443 /nfs/dbraw/zinc/27/14/43/239271443.db2.gz DDLLUVPTNBQFSF-UHFFFAOYSA-N 0 0 300.399 0.897 50 0 DCAARN CCS(=O)(=O)NCCNC(=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000408521005 239271970 /nfs/dbraw/zinc/27/19/70/239271970.db2.gz FLDDNQTVWSTECV-SECBINFHSA-N 0 0 308.400 0.020 50 0 DCAARN CON1CCN(CC(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000408523360 239272068 /nfs/dbraw/zinc/27/20/68/239272068.db2.gz JBFSIHUOUPAXBK-UHFFFAOYSA-N 0 0 306.366 0.763 50 0 DCAARN COC(=O)c1c(NC(=O)C(=O)NCCO)sc2c1CCC2 ZINC000006758714 181384510 /nfs/dbraw/zinc/38/45/10/181384510.db2.gz LEYVUBYQINXSME-UHFFFAOYSA-N 0 0 312.347 0.070 50 0 DCAARN O=C(Cn1ncn2cccc2c1=O)NCc1ccccc1F ZINC000006799503 181390349 /nfs/dbraw/zinc/39/03/49/181390349.db2.gz WVBNFSIDGQQAME-UHFFFAOYSA-N 0 0 300.293 0.952 50 0 DCAARN O=C([O-])[C@@]12C[NH2+]C[C@@H]1CN(c1ncc(F)c(N3CCCC3)n1)C2 ZINC000091326564 193040009 /nfs/dbraw/zinc/04/00/09/193040009.db2.gz BVAFZMDWUHADLQ-MEBBXXQBSA-N 0 0 321.356 0.326 50 0 DCAARN Cc1nccn1Cc1nnc(C2CC[NH+](CC(=O)[O-])CC2)n1C ZINC000091364625 193045740 /nfs/dbraw/zinc/04/57/40/193045740.db2.gz PJTAQDPFLDKZFW-UHFFFAOYSA-N 0 0 318.381 0.632 50 0 DCAARN O=C(CCN1CCCCCC1=O)N1CC[C@@]2(C1)CCCNC2=O ZINC000091382092 193048442 /nfs/dbraw/zinc/04/84/42/193048442.db2.gz IDEIPXKZRZBICE-QGZVFWFLSA-N 0 0 321.421 0.908 50 0 DCAARN C[C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@@]1(O)C1CCC1 ZINC000091381893 193049207 /nfs/dbraw/zinc/04/92/07/193049207.db2.gz FRCFMJCWIBACPM-BMIGLBTASA-N 0 0 301.350 0.747 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)NCCSc1ccccn1 ZINC000091519057 193068078 /nfs/dbraw/zinc/06/80/78/193068078.db2.gz ZOQKOAKMWWJTFD-SECBINFHSA-N 0 0 308.363 0.278 50 0 DCAARN O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC[C@@](CO)(CC2CC2)C1 ZINC000091550534 193072517 /nfs/dbraw/zinc/07/25/17/193072517.db2.gz FUKGQVHICVNRBA-MRXNPFEDSA-N 0 0 321.377 0.007 50 0 DCAARN COCC[C@@]1(C(=O)[O-])CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000091595836 193077679 /nfs/dbraw/zinc/07/76/79/193077679.db2.gz YIWBWZLLSVFMJF-HNNXBMFYSA-N 0 0 314.382 0.049 50 0 DCAARN O=C(CCc1nc(Cl)n[nH]1)N1CCC2(CC1)[C@H](O)C[C@@H]2O ZINC000091596079 193078186 /nfs/dbraw/zinc/07/81/86/193078186.db2.gz QBBQSFUIMGKQNT-DTORHVGOSA-N 0 0 314.773 0.125 50 0 DCAARN O=C(Cn1ncc2ccccc2c1=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000091468558 193060475 /nfs/dbraw/zinc/06/04/75/193060475.db2.gz OFWKDAIHMBNECA-CYBMUJFWSA-N 0 0 323.356 0.793 50 0 DCAARN O=C(CN1C(=O)CNC1=O)NCc1ccc2c(c1)OCCCO2 ZINC000091645337 193084310 /nfs/dbraw/zinc/08/43/10/193084310.db2.gz VRTZQLQPUXEKIN-UHFFFAOYSA-N 0 0 319.317 0.016 50 0 DCAARN O=C(NCCN1CCNC1=O)c1cc(-c2ccccc2O)n[nH]1 ZINC000091656014 193085978 /nfs/dbraw/zinc/08/59/78/193085978.db2.gz GISNTQPQKKNXIX-UHFFFAOYSA-N 0 0 315.333 0.537 50 0 DCAARN O=C(N1CCOCC1)N1CCN(c2cc(C3CC3)ncn2)CC1 ZINC000091693643 193093286 /nfs/dbraw/zinc/09/32/86/193093286.db2.gz IWLRVZZEARAQKD-UHFFFAOYSA-N 0 0 317.393 0.928 50 0 DCAARN C[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)CC[C@]1(C)O ZINC000091746217 193099819 /nfs/dbraw/zinc/09/98/19/193099819.db2.gz SSRMLLVWSQAJTQ-BZNIZROVSA-N 0 0 306.362 0.784 50 0 DCAARN CCn1c(Cn2ccnc2)nnc1C1CC[NH+](CC(=O)[O-])CC1 ZINC000091625903 193081637 /nfs/dbraw/zinc/08/16/37/193081637.db2.gz PTQHANBMSCTGLH-UHFFFAOYSA-N 0 0 318.381 0.807 50 0 DCAARN C[N@@H+]1C[C@@H]2CN(C(=O)CCc3ccncc3)C[C@]2(C(=O)[O-])C1 ZINC000091636468 193083175 /nfs/dbraw/zinc/08/31/75/193083175.db2.gz WUTVHYWOUKXTPN-CZUORRHYSA-N 0 0 303.362 0.489 50 0 DCAARN Cc1nnc(CN2C[C@H](NS(C)(=O)=O)[C@@H](C3CC3)C2)o1 ZINC000091793106 193109463 /nfs/dbraw/zinc/10/94/63/193109463.db2.gz LKZWGSAKGIOUGW-MNOVXSKESA-N 0 0 300.384 0.138 50 0 DCAARN CC[NH+]1CCN(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC000091914964 193125566 /nfs/dbraw/zinc/12/55/66/193125566.db2.gz LNYKADAGGRQZSW-UONOGXRCSA-N 0 0 309.410 0.193 50 0 DCAARN O=C(CN1C(=O)CNC1=O)NCc1csc2c1CCCC2 ZINC000091997850 193139201 /nfs/dbraw/zinc/13/92/01/193139201.db2.gz BRXAIJJVCLERFC-UHFFFAOYSA-N 0 0 307.375 0.795 50 0 DCAARN CN(C)c1cccc(CNC(=O)CC[C@H]2NC(=O)NC2=O)c1 ZINC000092037741 193144220 /nfs/dbraw/zinc/14/42/20/193144220.db2.gz PRZCWEBMSRQQIF-GFCCVEGCSA-N 0 0 304.350 0.357 50 0 DCAARN Cc1c[nH]c(CN2CCC3(CCC(=O)N(CCO)C3)CC2)n1 ZINC000092046634 193147695 /nfs/dbraw/zinc/14/76/95/193147695.db2.gz TXLFMHOLHZGVLS-UHFFFAOYSA-N 0 0 306.410 0.915 50 0 DCAARN Cn1cccc1C(=O)C(=O)N[C@H]1CCCN(c2cnccn2)C1 ZINC000215349386 201457854 /nfs/dbraw/zinc/45/78/54/201457854.db2.gz LLCHNARXWGRRLM-LBPRGKRZSA-N 0 0 313.361 0.783 50 0 DCAARN Cc1nc(N)sc1C(=O)N1CCC2(CC1)CN(C)C(=O)CO2 ZINC000216391733 201493537 /nfs/dbraw/zinc/49/35/37/201493537.db2.gz JDZXSLVTTGASTI-UHFFFAOYSA-N 0 0 324.406 0.497 50 0 DCAARN O=C(CCn1cnnn1)NC1CCN(c2ccccc2F)CC1 ZINC000219092898 201549954 /nfs/dbraw/zinc/54/99/54/201549954.db2.gz WECSSXMPZYDJPI-UHFFFAOYSA-N 0 0 318.356 0.988 50 0 DCAARN CC[C@H](C)[C@@H](CO)NC(=O)Cn1ncc2ccccc2c1=O ZINC000252507574 202857925 /nfs/dbraw/zinc/85/79/25/202857925.db2.gz WOTLTFYFQKBOCV-SMDDNHRTSA-N 0 0 303.362 0.920 50 0 DCAARN COc1ccc(CC[C@@]2(C)NC(=O)N(CC(N)=O)C2=O)cc1 ZINC000007411508 181463832 /nfs/dbraw/zinc/46/38/32/181463832.db2.gz AAGGYYJVZLLEJK-OAHLLOKOSA-N 0 0 305.334 0.424 50 0 DCAARN CC(C)(C)NC(=O)COC(=O)c1ccc(OCC(N)=O)cc1 ZINC000007581086 181476216 /nfs/dbraw/zinc/47/62/16/181476216.db2.gz LAVXWLIOYSAJKH-UHFFFAOYSA-N 0 0 308.334 0.622 50 0 DCAARN CC[C@@H](NC(=O)NCCOC)c1cccc(S(N)(=O)=O)c1 ZINC000095351228 193426159 /nfs/dbraw/zinc/42/61/59/193426159.db2.gz JRQXKLNSGBLHPK-GFCCVEGCSA-N 0 0 315.395 0.731 50 0 DCAARN CCc1nnc(CN2CCN(CC(=O)NCC(C)C)CC2)o1 ZINC000095946902 193454492 /nfs/dbraw/zinc/45/44/92/193454492.db2.gz LDASFMLUMMIPEW-UHFFFAOYSA-N 0 0 309.414 0.522 50 0 DCAARN O=C(NCCN1CCOCC1)NC[C@@H]1COC2(CCCC2)O1 ZINC000095983779 193476640 /nfs/dbraw/zinc/47/66/40/193476640.db2.gz LJFDRVHBDWOQRK-CYBMUJFWSA-N 0 0 313.398 0.304 50 0 DCAARN C[C@@H](Cn1cncn1)NC(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000263902363 203627643 /nfs/dbraw/zinc/62/76/43/203627643.db2.gz JMVKUZCDYMMTJW-GDLCADMTSA-N 0 0 301.350 0.624 50 0 DCAARN C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000263937722 203645451 /nfs/dbraw/zinc/64/54/51/203645451.db2.gz FVVXAFKELHAUNK-NWDGAFQWSA-N 0 0 303.370 0.979 50 0 DCAARN Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)o1 ZINC000096192244 193571297 /nfs/dbraw/zinc/57/12/97/193571297.db2.gz CVCMHYPBPMEZRO-LLVKDONJSA-N 0 0 302.334 0.991 50 0 DCAARN O=C(COCc1nc(-c2cccnc2)no1)NC[C@H]1CCCO1 ZINC000096182090 193561752 /nfs/dbraw/zinc/56/17/52/193561752.db2.gz ZMLPGDBLBMTALM-GFCCVEGCSA-N 0 0 318.333 0.943 50 0 DCAARN C[S@](=O)C[C@@H](NC(=O)c1nccnc1N)c1ccccc1 ZINC000096445514 193649966 /nfs/dbraw/zinc/64/99/66/193649966.db2.gz YSFNWIYMVSOGBS-WSVYEEACSA-N 0 0 304.375 0.908 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N1CC[S@@](=O)C(C)(C)C1 ZINC000096475491 193661512 /nfs/dbraw/zinc/66/15/12/193661512.db2.gz QYFYLNBCSUMRON-SFHVURJKSA-N 0 0 306.409 0.823 50 0 DCAARN C/C=C\C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000096451696 193653479 /nfs/dbraw/zinc/65/34/79/193653479.db2.gz JRNDKUKAVNKFBZ-ZBJFTSOASA-N 0 0 312.347 0.780 50 0 DCAARN COC(=O)c1ccc(NCC(=O)N(C)CC(=O)NC2CC2)cc1 ZINC000009368696 181618364 /nfs/dbraw/zinc/61/83/64/181618364.db2.gz PYVMYSMPAGKQQH-UHFFFAOYSA-N 0 0 319.361 0.622 50 0 DCAARN NC(=O)COc1ccccc1C(=O)Nc1cccc(C(N)=O)c1 ZINC000009154169 181603863 /nfs/dbraw/zinc/60/38/63/181603863.db2.gz YMGFGAJLTHEEEG-UHFFFAOYSA-N 0 0 313.313 0.902 50 0 DCAARN CS(=O)(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O ZINC000009844582 181643168 /nfs/dbraw/zinc/64/31/68/181643168.db2.gz BCZGEQLXDISAQT-UHFFFAOYSA-N 0 0 311.338 0.599 50 0 DCAARN COCCNC(=O)c1ccc(=O)n(Cc2cccc(F)c2)n1 ZINC000011781330 181705711 /nfs/dbraw/zinc/70/57/11/181705711.db2.gz GLACGUZJCATRGO-UHFFFAOYSA-N 0 0 305.309 0.807 50 0 DCAARN CN(C)S(=O)(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000011814192 181707404 /nfs/dbraw/zinc/70/74/04/181707404.db2.gz QUGLWSPSHVJEFP-CYBMUJFWSA-N 0 0 311.407 0.226 50 0 DCAARN C/C(Cl)=C/Cn1c(N(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000012232499 181742078 /nfs/dbraw/zinc/74/20/78/181742078.db2.gz FATRIDXNGABCSI-VURMDHGXSA-N 0 0 311.773 0.642 50 0 DCAARN CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NC1CC1 ZINC000012627794 181783948 /nfs/dbraw/zinc/78/39/48/181783948.db2.gz QGGYCGIRXOXHNW-UHFFFAOYSA-N 0 0 307.375 0.860 50 0 DCAARN CC(C)NC(=O)N[C@H]1[C@@H](NC(=O)NC(C)C)N(C)C(=O)N1C ZINC000013427121 181849466 /nfs/dbraw/zinc/84/94/66/181849466.db2.gz QADUZHOMNVUIAR-AOOOYVTPSA-N 0 0 314.390 0.051 50 0 DCAARN CCn1nnc2c1ncn(Cc1ccc(C(=O)OC)cc1)c2=O ZINC000013531650 181858727 /nfs/dbraw/zinc/85/87/27/181858727.db2.gz JVOZYBUCFDQTIE-UHFFFAOYSA-N 0 0 313.317 0.843 50 0 DCAARN CCS(=O)(=O)N1CCc2cc(C(=O)NCCOC)ccc21 ZINC000013610121 181868125 /nfs/dbraw/zinc/86/81/25/181868125.db2.gz XRXBQFKIVXCTFK-UHFFFAOYSA-N 0 0 312.391 0.775 50 0 DCAARN C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1c[nH]c2ncccc12 ZINC000274753775 211900225 /nfs/dbraw/zinc/90/02/25/211900225.db2.gz LZZIBMMWIDUIHL-AYLIAGHASA-N 0 0 315.420 0.950 50 0 DCAARN C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(F)cc3)CN2C1=O ZINC000014534004 181956385 /nfs/dbraw/zinc/95/63/85/181956385.db2.gz WKWFDKMWUQTUAY-ZHAHWJHGSA-N 0 0 305.309 0.043 50 0 DCAARN CN(CC(=O)N1CCSCC1)S(=O)(=O)c1ccccc1 ZINC000016606721 182053085 /nfs/dbraw/zinc/05/30/85/182053085.db2.gz CMGQWHQWASKQKL-UHFFFAOYSA-N 0 0 314.432 0.883 50 0 DCAARN COc1ccc(OC)c(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)c1 ZINC000019789813 182148851 /nfs/dbraw/zinc/14/88/51/182148851.db2.gz RWZOWFQJPRKTSP-HOTGVXAUSA-N 0 0 322.405 0.581 50 0 DCAARN O[C@H]1CN(Cc2cccc3c2OCO3)C[C@@H]1N1CCOCC1 ZINC000019791447 182148998 /nfs/dbraw/zinc/14/89/98/182148998.db2.gz CKSHEGOWXLFHJQ-KBPBESRZSA-N 0 0 306.362 0.293 50 0 DCAARN COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 ZINC000019807967 182152820 /nfs/dbraw/zinc/15/28/20/182152820.db2.gz COSLKXSCJZCZIH-UHFFFAOYSA-N 0 0 314.407 0.696 50 0 DCAARN CC(C)C(=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000020733715 182244853 /nfs/dbraw/zinc/24/48/53/182244853.db2.gz GIUJURGKELOERP-ZDUSSCGKSA-N 0 0 317.389 0.928 50 0 DCAARN CCCNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000020904141 182252998 /nfs/dbraw/zinc/25/29/98/182252998.db2.gz XSGPDTJOGLKLHN-UHFFFAOYSA-N 0 0 301.346 0.585 50 0 DCAARN O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc(=O)[nH]n1 ZINC000021072501 182264808 /nfs/dbraw/zinc/26/48/08/182264808.db2.gz USNMUBKIIHSRJD-UHFFFAOYSA-N 0 0 309.329 0.928 50 0 DCAARN CCc1ccc(-n2nc(CO)c(C(=O)NC[C@@H](C)O)n2)cc1 ZINC000021173025 182268450 /nfs/dbraw/zinc/26/84/50/182268450.db2.gz MHKBMWBNPDTEFI-SNVBAGLBSA-N 0 0 304.350 0.433 50 0 DCAARN CN1N=C(C(=O)NCc2ccc3c(c2)OCCO3)CCC1=O ZINC000021840353 182295006 /nfs/dbraw/zinc/29/50/06/182295006.db2.gz HVXZBBVOPARRHT-UHFFFAOYSA-N 0 0 303.318 0.682 50 0 DCAARN Cn1c2nc(Cl)n(C[C@H]3CCCCO3)c2c(=O)n(C)c1=O ZINC000021838540 182295099 /nfs/dbraw/zinc/29/50/99/182295099.db2.gz FBSAGNGJDAZFLH-MRVPVSSYSA-N 0 0 312.757 0.656 50 0 DCAARN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@H]1CCCO1 ZINC000021898823 182297647 /nfs/dbraw/zinc/29/76/47/182297647.db2.gz TYXSULCMASYGJP-LLVKDONJSA-N 0 0 317.345 0.375 50 0 DCAARN C[C@@H]1CN(C(C)(C)CNc2ccc3nnnn3n2)C[C@@H](C)O1 ZINC000022385884 182319962 /nfs/dbraw/zinc/31/99/62/182319962.db2.gz WOVQAQSJUWZTSD-GHMZBOCLSA-N 0 0 305.386 0.819 50 0 DCAARN Cc1ccc(CNC(=O)CN2CCN(CCO)CC2)cc1F ZINC000022817612 182336296 /nfs/dbraw/zinc/33/62/96/182336296.db2.gz JIPUBARKUDJPHU-UHFFFAOYSA-N 0 0 309.385 0.360 50 0 DCAARN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ncn[nH]1 ZINC000023143254 182351347 /nfs/dbraw/zinc/35/13/47/182351347.db2.gz AFVPMSTVJUWUKX-ZDUSSCGKSA-N 0 0 301.350 0.549 50 0 DCAARN CCC(C)(C)NC(=O)CN1CCN(CC(=O)NC2CC2)CC1 ZINC000023253697 182354727 /nfs/dbraw/zinc/35/47/27/182354727.db2.gz QMVYNVDNVGNMLA-UHFFFAOYSA-N 0 0 310.442 0.187 50 0 DCAARN COCCN1C[C@@H](C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1=O ZINC000024759463 182389902 /nfs/dbraw/zinc/38/99/02/182389902.db2.gz BFLDGKNBXNHMKS-VIFPVBQESA-N 0 0 318.333 0.290 50 0 DCAARN COc1cccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c1 ZINC000024777067 182390873 /nfs/dbraw/zinc/39/08/73/182390873.db2.gz YAVOSPUVVSUWDB-UHFFFAOYSA-N 0 0 312.391 0.803 50 0 DCAARN Cn1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)n1 ZINC000024473939 182381887 /nfs/dbraw/zinc/38/18/87/182381887.db2.gz LRCYVDNBBQLNJZ-GHMZBOCLSA-N 0 0 302.334 0.700 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000025046688 182399451 /nfs/dbraw/zinc/39/94/51/182399451.db2.gz ARSWBSDEXWUUCP-HNNXBMFYSA-N 0 0 319.365 0.099 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)CCc1ccccc1F ZINC000025022762 182399760 /nfs/dbraw/zinc/39/97/60/182399760.db2.gz XRAGHYYTKJNFQN-ZDUSSCGKSA-N 0 0 322.336 0.648 50 0 DCAARN CC(=O)N[C@@H](C(=O)Nc1ccc(-n2cncn2)nc1)C(C)C ZINC000029271564 182558618 /nfs/dbraw/zinc/55/86/18/182558618.db2.gz DMAIUMZMFYYVCQ-CYBMUJFWSA-N 0 0 302.338 0.762 50 0 DCAARN O=C(CN1CCN(C[C@@H](O)c2cccs2)CC1)NC1CC1 ZINC000028914659 182546072 /nfs/dbraw/zinc/54/60/72/182546072.db2.gz GEOMXXBHHCQUML-CYBMUJFWSA-N 0 0 309.435 0.678 50 0 DCAARN Cc1sc2ncn(C[C@@H](O)CN3CCOCC3)c(=O)c2c1C ZINC000029333990 182561684 /nfs/dbraw/zinc/56/16/84/182561684.db2.gz FPMJGPVHOJWTEI-LBPRGKRZSA-N 0 0 323.418 0.768 50 0 DCAARN CCCn1nc(C(=O)NCc2cccnc2OC)ccc1=O ZINC000031318909 182611097 /nfs/dbraw/zinc/61/10/97/182611097.db2.gz VZQWPMYTBXEUQR-UHFFFAOYSA-N 0 0 302.334 0.987 50 0 DCAARN O=C(CNC(=O)C(=O)Nc1ccc2cc[nH]c2c1)N1CCCC1 ZINC000032103507 182635657 /nfs/dbraw/zinc/63/56/57/182635657.db2.gz NVYHWTXFDZMGIW-UHFFFAOYSA-N 0 0 314.345 0.845 50 0 DCAARN CC(C)C[C@@H](NC(=O)CNC(=O)c1ccco1)C(=O)N(C)C ZINC000032933046 182683179 /nfs/dbraw/zinc/68/31/79/182683179.db2.gz OHNAUHUNMDOEMY-LLVKDONJSA-N 0 0 309.366 0.629 50 0 DCAARN O=CN1CCN(c2c(=O)c(=O)c2NCCC2=CCCCC2)CC1 ZINC000101702250 193836468 /nfs/dbraw/zinc/83/64/68/193836468.db2.gz PXRSKCJEECOPFI-UHFFFAOYSA-N 0 0 317.389 0.863 50 0 DCAARN COc1cccc(S(=O)(=O)NCCCn2ncccc2=O)c1 ZINC000038517404 183001082 /nfs/dbraw/zinc/00/10/82/183001082.db2.gz HJNWPSSXHOGVQT-UHFFFAOYSA-N 0 0 323.374 0.621 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)C(C)(C)C)C[C@H](C)O1 ZINC000040089304 183033071 /nfs/dbraw/zinc/03/30/71/183033071.db2.gz QEOSHZWXWOOYOS-PHIMTYICSA-N 0 0 306.428 0.588 50 0 DCAARN CC(C)NC(=O)CNC(=O)C(=O)Nc1cc(Cl)ccc1O ZINC000040285959 183051229 /nfs/dbraw/zinc/05/12/29/183051229.db2.gz QGLGTNJOUINZJH-UHFFFAOYSA-N 0 0 313.741 0.625 50 0 DCAARN O=C(Nn1ccc2c(nnc3ccnn32)c1=O)c1ccncc1 ZINC000040388100 183059819 /nfs/dbraw/zinc/05/98/19/183059819.db2.gz FZXDBRQYESRFHS-UHFFFAOYSA-N 0 0 307.273 0.218 50 0 DCAARN NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1F ZINC000040460262 183069875 /nfs/dbraw/zinc/06/98/75/183069875.db2.gz CMVALXOTQGXOFA-JTQLQIEISA-N 0 0 304.318 0.993 50 0 DCAARN O=C(NCCN1CCOCC1)c1ccc(N2CCNC2=O)cc1 ZINC000040479933 183076396 /nfs/dbraw/zinc/07/63/96/183076396.db2.gz OHLHPXLWLFDCRV-UHFFFAOYSA-N 0 0 318.377 0.278 50 0 DCAARN CCOc1ccc(-n2ncc(C(=O)N3CCOCC3)c2C)nn1 ZINC000040487986 183078234 /nfs/dbraw/zinc/07/82/34/183078234.db2.gz MVGZBFSGISGVNP-UHFFFAOYSA-N 0 0 317.349 0.842 50 0 DCAARN C[C@@H]1CO[C@@H](C)CN1C(=O)CCn1nnc2ccccc2c1=O ZINC000040499030 183082614 /nfs/dbraw/zinc/08/26/14/183082614.db2.gz ICRYXBUTYZVFFI-NEPJUHHUSA-N 0 0 316.361 0.817 50 0 DCAARN CCOc1ncccc1CNS(=O)(=O)N1CCOCC1 ZINC000040501652 183083302 /nfs/dbraw/zinc/08/33/02/183083302.db2.gz FYGRDXHRYMLPCX-UHFFFAOYSA-N 0 0 301.368 0.147 50 0 DCAARN Cc1cnc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cn1 ZINC000040515943 183089288 /nfs/dbraw/zinc/08/92/88/183089288.db2.gz RBYMMVYVECUARJ-NSHDSACASA-N 0 0 312.395 0.186 50 0 DCAARN O=C(Cn1ccc(C(F)(F)F)n1)N[C@H]1CCCCNC1=O ZINC000040521959 183091000 /nfs/dbraw/zinc/09/10/00/183091000.db2.gz HSWVOOJKWXPHHI-QMMMGPOBSA-N 0 0 304.272 0.687 50 0 DCAARN CCS(=O)(=O)NC1CCN(C(=O)c2cnc(C)cn2)CC1 ZINC000040527890 183093476 /nfs/dbraw/zinc/09/34/76/183093476.db2.gz BLQQSDLKQBURCG-UHFFFAOYSA-N 0 0 312.395 0.329 50 0 DCAARN C[C@@H](C(=O)N1CCN(Cc2ccccn2)CC1)S(C)(=O)=O ZINC000040540255 183097422 /nfs/dbraw/zinc/09/74/22/183097422.db2.gz XCPLZKWVBBYKEJ-LBPRGKRZSA-N 0 0 311.407 0.159 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCN(C(=O)COCC2CC2)C1 ZINC000040542733 183098604 /nfs/dbraw/zinc/09/86/04/183098604.db2.gz RUUUPMRGJICEKT-GFCCVEGCSA-N 0 0 304.412 0.201 50 0 DCAARN CC(C)CCNC(=O)Cn1nc(C(=O)N2CCCC2)ccc1=O ZINC000041255620 183181295 /nfs/dbraw/zinc/18/12/95/183181295.db2.gz UHGFLXIGSDJWAB-UHFFFAOYSA-N 0 0 320.393 0.642 50 0 DCAARN CNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H]2CCOC2)c1 ZINC000041370265 183187505 /nfs/dbraw/zinc/18/75/05/183187505.db2.gz KYJMTKMEJVCLSJ-NSHDSACASA-N 0 0 312.391 0.669 50 0 DCAARN O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccc(=O)[nH]c1 ZINC000041419634 183189956 /nfs/dbraw/zinc/18/99/56/183189956.db2.gz PGTGZISMZBWQFN-OAHLLOKOSA-N 0 0 323.418 0.313 50 0 DCAARN C[C@H]1CN(CCNC(=O)CN2CCSC2=O)C[C@H](C)O1 ZINC000041943743 183225749 /nfs/dbraw/zinc/22/57/49/183225749.db2.gz HMIINONVGPPWNL-QWRGUYRKSA-N 0 0 301.412 0.381 50 0 DCAARN CN(CCCNC(=O)CC[C@H]1NC(=O)NC1=O)c1ccccc1 ZINC000041945992 183225897 /nfs/dbraw/zinc/22/58/97/183225897.db2.gz RKKLLFWNBOFXOH-CYBMUJFWSA-N 0 0 318.377 0.617 50 0 DCAARN Cc1ccc2nc(SCC(=O)NC(N)=O)n(C)c(=O)c2c1 ZINC000042177446 183238748 /nfs/dbraw/zinc/23/87/48/183238748.db2.gz UVDGHJADVHRVSH-UHFFFAOYSA-N 0 0 306.347 0.529 50 0 DCAARN O=C(CNC(=O)c1ccc(=O)[nH]c1)NCCc1cccs1 ZINC000042384854 183262244 /nfs/dbraw/zinc/26/22/44/183262244.db2.gz SCZOOGHVXFEEAM-UHFFFAOYSA-N 0 0 305.359 0.525 50 0 DCAARN CC(C)NC(=O)CN1CCCN(C(=O)c2cccnc2)CC1 ZINC000042397465 183263685 /nfs/dbraw/zinc/26/36/85/183263685.db2.gz VKYZLUWXSUSYTG-UHFFFAOYSA-N 0 0 304.394 0.754 50 0 DCAARN CN(Cc1ccc(Br)o1)C(=O)Cn1cnnn1 ZINC000042752943 183305500 /nfs/dbraw/zinc/30/55/00/183305500.db2.gz BZVRWZLRQUJPHE-UHFFFAOYSA-N 0 0 300.116 0.687 50 0 DCAARN NC(=O)CN1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000043122209 183339094 /nfs/dbraw/zinc/33/90/94/183339094.db2.gz WAQGCBULBFJMDK-UHFFFAOYSA-N 0 0 300.362 0.847 50 0 DCAARN C[C@H]1CN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CCO1 ZINC000043732216 183384346 /nfs/dbraw/zinc/38/43/46/183384346.db2.gz OQJLBBTUMAPKJF-JTQLQIEISA-N 0 0 305.309 0.783 50 0 DCAARN CCS(=O)(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000043961033 183390703 /nfs/dbraw/zinc/39/07/03/183390703.db2.gz OZZZGYBGNOLNHJ-UHFFFAOYSA-N 0 0 302.318 0.727 50 0 DCAARN Cc1c(C(=O)NC(C(N)=O)C(N)=O)sc2cccc(F)c12 ZINC000044389481 183407145 /nfs/dbraw/zinc/40/71/45/183407145.db2.gz SGROFPTWKWOBSD-UHFFFAOYSA-N 0 0 309.322 0.418 50 0 DCAARN Cc1ccc(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000044394609 183408301 /nfs/dbraw/zinc/40/83/01/183408301.db2.gz RLHORSIRAGJJST-UHFFFAOYSA-N 0 0 301.302 0.597 50 0 DCAARN CO[C@H](CNS(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000044936167 183461559 /nfs/dbraw/zinc/46/15/59/183461559.db2.gz DTUYQZXWLLHBJQ-CYBMUJFWSA-N 0 0 300.380 0.541 50 0 DCAARN O=C(c1cnc2ccccn2c1=O)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000065374254 296286878 /nfs/dbraw/zinc/28/68/78/296286878.db2.gz RVOLILVCFNGHBL-MNOVXSKESA-N 0 0 312.329 0.188 50 0 DCAARN CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000047020933 183578110 /nfs/dbraw/zinc/57/81/10/183578110.db2.gz FGCMWYTUOBPUDV-LLVKDONJSA-N 0 0 317.349 0.556 50 0 DCAARN Cn1cc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000047530079 183593851 /nfs/dbraw/zinc/59/38/51/183593851.db2.gz UBXBSLHXMNBXEQ-UHFFFAOYSA-N 0 0 308.363 0.639 50 0 DCAARN Cc1nccn1CCN(C)c1nccc(N2CC[C@@H](O)C2)n1 ZINC000106270949 194193241 /nfs/dbraw/zinc/19/32/41/194193241.db2.gz SNROZXAVZKLRTP-CYBMUJFWSA-N 0 0 302.382 0.689 50 0 DCAARN COC(=O)c1ccc(OC)cc1OCC(=O)N1CCOCC1 ZINC000048264641 183634480 /nfs/dbraw/zinc/63/44/80/183634480.db2.gz PZCNETDADABRDZ-UHFFFAOYSA-N 0 0 309.318 0.719 50 0 DCAARN Cc1nnc(CNC(=O)c2nnn(-c3nccs3)c2C)o1 ZINC000049032432 183703327 /nfs/dbraw/zinc/70/33/27/183703327.db2.gz KLBSYOIDXJBVLD-UHFFFAOYSA-N 0 0 305.323 0.654 50 0 DCAARN O=C(CNC(=O)c1ccco1)N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC000051443893 183827666 /nfs/dbraw/zinc/82/76/66/183827666.db2.gz PZTYCAGIZBWJKY-LLVKDONJSA-N 0 0 319.361 0.527 50 0 DCAARN COc1ccc(CN(C)C(=O)[C@H](C)N(C)CC(N)=O)cc1F ZINC000052831587 183875807 /nfs/dbraw/zinc/87/58/07/183875807.db2.gz GDYXENFXWGUNRF-JTQLQIEISA-N 0 0 311.357 0.598 50 0 DCAARN NC(=O)c1csc(C(=O)N[C@H](C(N)=O)c2ccccc2)c1 ZINC000053266335 183896490 /nfs/dbraw/zinc/89/64/90/183896490.db2.gz SSGCYMRBCVYXPC-NSHDSACASA-N 0 0 303.343 0.803 50 0 DCAARN CC(C)(NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(N)=O ZINC000057050225 184025841 /nfs/dbraw/zinc/02/58/41/184025841.db2.gz ILROYGNULCABOV-UHFFFAOYSA-N 0 0 314.345 0.285 50 0 DCAARN Cc1c(C(=O)N2CC[C@H](C(N)=O)C2)nnn1-c1ccc(C)cc1 ZINC000056877347 184020643 /nfs/dbraw/zinc/02/06/43/184020643.db2.gz REMSBIXMZVMTMN-LBPRGKRZSA-N 0 0 313.361 0.832 50 0 DCAARN CC(C)CCNC(=O)Cn1c2ccccc2c(=O)n(C)c1=O ZINC000057525522 184041472 /nfs/dbraw/zinc/04/14/72/184041472.db2.gz ZFOQRBHXDWISQC-UHFFFAOYSA-N 0 0 303.362 0.863 50 0 DCAARN NC(=O)NC(=O)COc1ccc(C(=O)NC2CCCC2)cc1 ZINC000058216610 184089093 /nfs/dbraw/zinc/08/90/93/184089093.db2.gz BFAOOWWLWCDKIE-UHFFFAOYSA-N 0 0 305.334 0.933 50 0 DCAARN CCOC(=O)CCNC(=O)c1cc(C)nc2c1c(=O)[nH]n2C ZINC000058214041 184089357 /nfs/dbraw/zinc/08/93/57/184089357.db2.gz KCPLDZSULVTZII-UHFFFAOYSA-N 0 0 306.322 0.253 50 0 DCAARN C[C@H](NC(=O)CNC(=O)c1ccccc1)C(=O)NC1CCCC1 ZINC000058226119 184090996 /nfs/dbraw/zinc/09/09/96/184090996.db2.gz HNUKOGUGANMJMJ-LBPRGKRZSA-N 0 0 317.389 0.980 50 0 DCAARN CNC(=O)NC(=O)CNc1ccc(C)cc1OCC(=O)N(C)C ZINC000058159707 184082154 /nfs/dbraw/zinc/08/21/54/184082154.db2.gz XVHCSFQATDQWNO-UHFFFAOYSA-N 0 0 322.365 0.330 50 0 DCAARN C[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)C(=O)N1CCOCC1 ZINC000058379881 184110595 /nfs/dbraw/zinc/11/05/95/184110595.db2.gz GDWFYOBYMCJJBN-RISCZKNCSA-N 0 0 304.346 0.354 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)Nc1ccc(OC(C)C)cc1C ZINC000058264193 184095472 /nfs/dbraw/zinc/09/54/72/184095472.db2.gz YVUISXWEXUPGGP-UHFFFAOYSA-N 0 0 321.377 0.973 50 0 DCAARN CC(=O)N[C@H]1CCCN([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC000058328758 184105874 /nfs/dbraw/zinc/10/58/74/184105874.db2.gz LKTGNCZAZKXPQM-OCCSQVGLSA-N 0 0 321.425 0.964 50 0 DCAARN COc1ccc([C@@H](C)NC(=O)CC[C@H]2NC(=O)NC2=O)cc1F ZINC000061553522 184174656 /nfs/dbraw/zinc/17/46/56/184174656.db2.gz XHTFJVBPYVUPCW-LDYMZIIASA-N 0 0 323.324 1.000 50 0 DCAARN CCONC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000064354428 184295132 /nfs/dbraw/zinc/29/51/32/184295132.db2.gz ZZGNNOLDTLSRSH-UHFFFAOYSA-N 0 0 312.391 0.598 50 0 DCAARN O=S(=O)(c1ccc(F)cc1)N1CCN=C1N1CCOCC1 ZINC000064929765 184306184 /nfs/dbraw/zinc/30/61/84/184306184.db2.gz SSOVYNXOOIAKRJ-UHFFFAOYSA-N 0 0 313.354 0.518 50 0 DCAARN CCc1ccc(S(=O)(=O)N2CCN=C2N2CCOCC2)cc1 ZINC000064929778 184306294 /nfs/dbraw/zinc/30/62/94/184306294.db2.gz KREWHCXIZWPDTL-UHFFFAOYSA-N 0 0 323.418 0.942 50 0 DCAARN CCn1nc2ccc(S(=O)(=O)N3CCC(C)CC3)cn2c1=O ZINC000065198707 184314245 /nfs/dbraw/zinc/31/42/45/184314245.db2.gz UYLSIBNVYURGLS-UHFFFAOYSA-N 0 0 324.406 0.937 50 0 DCAARN NC(=O)Cn1cc(NC(=O)NC[C@H](O)c2ccc(F)cc2)cn1 ZINC000065422804 184341707 /nfs/dbraw/zinc/34/17/07/184341707.db2.gz DGRGQZXAILWPBK-LBPRGKRZSA-N 0 0 321.312 0.363 50 0 DCAARN COC[C@@H](O)CN(C)C(=O)NCc1ccc2c(c1)OCCO2 ZINC000065439998 184345759 /nfs/dbraw/zinc/34/57/59/184345759.db2.gz WWFUEPAOLRFFOW-LBPRGKRZSA-N 0 0 310.350 0.607 50 0 DCAARN CCO[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000065459389 184348523 /nfs/dbraw/zinc/34/85/23/184348523.db2.gz RDPUIYGLXSLXHD-WBMJQRKESA-N 0 0 323.393 0.734 50 0 DCAARN CC(C)c1cc(C(=O)NCCN2CCCS2(=O)=O)[nH]n1 ZINC000065493803 184354437 /nfs/dbraw/zinc/35/44/37/184354437.db2.gz LCHFLPNSPYRQCJ-UHFFFAOYSA-N 0 0 300.384 0.298 50 0 DCAARN O=C(Cc1ccc(-n2cnnn2)cc1)N[C@H]1CCc2nccn2C1 ZINC000065475837 184352192 /nfs/dbraw/zinc/35/21/92/184352192.db2.gz ZPCBVKZWSVXLMK-ZDUSSCGKSA-N 0 0 323.360 0.533 50 0 DCAARN CN(CC(=O)N1CCN2CCN(C)C(=O)[C@H]2C1)c1ccccc1 ZINC000065403904 184337488 /nfs/dbraw/zinc/33/74/88/184337488.db2.gz AYOSIHGZJWCBSV-OAHLLOKOSA-N 0 0 316.405 0.108 50 0 DCAARN Cc1cccc([C@@H](C(=O)NCCNS(C)(=O)=O)N(C)C)c1 ZINC000065405551 184337887 /nfs/dbraw/zinc/33/78/87/184337887.db2.gz IMDAWVKOJIOBLQ-ZDUSSCGKSA-N 0 0 313.423 0.263 50 0 DCAARN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)OCC(=O)NC1CC1 ZINC000065562595 184366110 /nfs/dbraw/zinc/36/61/10/184366110.db2.gz GWGJPZCWUDSGHY-UHFFFAOYSA-N 0 0 318.333 0.004 50 0 DCAARN CCN(CC)S(=O)(=O)N(C)CC(=O)Nc1cccc(C)n1 ZINC000065586895 184369152 /nfs/dbraw/zinc/36/91/52/184369152.db2.gz RQTPAEHUTWAPRU-UHFFFAOYSA-N 0 0 314.411 0.847 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NC[C@@H]1CCOC1 ZINC000065586881 184369162 /nfs/dbraw/zinc/36/91/62/184369162.db2.gz QEKOYGPHBWSDPR-RYUDHWBXSA-N 0 0 319.427 0.136 50 0 DCAARN O=C(C/C=C/c1ccccc1)N[C@@H]1C[C@H]2C(=O)NCC(=O)N2C1 ZINC000065499697 184355779 /nfs/dbraw/zinc/35/57/79/184355779.db2.gz HUJJMQVKDVSPTH-KMEUXCNSSA-N 0 0 313.357 0.305 50 0 DCAARN C[C@@H](NC(=O)c1sccc1NC(=O)c1ccncc1)C(N)=O ZINC000065520611 184358948 /nfs/dbraw/zinc/35/89/48/184358948.db2.gz RBUPQWVQZQCHEU-MRVPVSSYSA-N 0 0 318.358 0.999 50 0 DCAARN CCNC(=O)NC(=O)CN(CCC(N)=O)c1cccc(C)c1 ZINC000065624030 184374893 /nfs/dbraw/zinc/37/48/93/184374893.db2.gz FAJOEXSLAFOYCJ-UHFFFAOYSA-N 0 0 306.366 0.523 50 0 DCAARN COCC(=O)NCCNc1cc(-n2nc(C)cc2C)nc(C)n1 ZINC000067602031 184474284 /nfs/dbraw/zinc/47/42/84/184474284.db2.gz ZCUDMRGIEWITDF-UHFFFAOYSA-N 0 0 318.381 0.762 50 0 DCAARN Cc1cnn(C[C@H]2CN(CC(=O)Nc3cccnc3)CCO2)c1 ZINC000069451649 184515524 /nfs/dbraw/zinc/51/55/24/184515524.db2.gz XTELLYKHAFEHOJ-OAHLLOKOSA-N 0 0 315.377 0.926 50 0 DCAARN COC(=O)CNC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000069513496 184521722 /nfs/dbraw/zinc/52/17/22/184521722.db2.gz WDVYDDCXQSZHED-LBPRGKRZSA-N 0 0 320.345 0.333 50 0 DCAARN CNc1ncc(CN(C)C(=O)CN2CCCCCC2=O)cn1 ZINC000299768958 533088880 /nfs/dbraw/zinc/08/88/80/533088880.db2.gz HJAQIKQTEXRIGC-UHFFFAOYSA-N 0 0 305.382 0.879 50 0 DCAARN C[C@@H]1CCCN(CCNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000239882102 296388924 /nfs/dbraw/zinc/38/89/24/296388924.db2.gz DAGPKPPAOKQKHL-OLZOCXBDSA-N 0 0 317.455 0.547 50 0 DCAARN Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2cc(F)c[nH]2)cn1 ZINC000349619125 254289118 /nfs/dbraw/zinc/28/91/18/254289118.db2.gz XQPILZRBVIGJER-QKVFXAPYSA-N 0 0 310.354 0.833 50 0 DCAARN O=c1c2ccccc2nnn1CN1CCN(c2ncccn2)CC1 ZINC000057395144 285213224 /nfs/dbraw/zinc/21/32/24/285213224.db2.gz SWBWNAMMIFBMPE-UHFFFAOYSA-N 0 0 323.360 0.361 50 0 DCAARN O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)[C@@H]1CCNC(=O)C1 ZINC000153257552 196865419 /nfs/dbraw/zinc/86/54/19/196865419.db2.gz RQMVPPXLTLDCLN-KGLIPLIRSA-N 0 0 321.421 0.810 50 0 DCAARN Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)nn1 ZINC000225432196 256595731 /nfs/dbraw/zinc/59/57/31/256595731.db2.gz BIAWRRCYBIPYQC-NSHDSACASA-N 0 0 323.378 0.361 50 0 DCAARN CN(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000252444170 256610636 /nfs/dbraw/zinc/61/06/36/256610636.db2.gz INCWYQCYIUHLMF-IJLUTSLNSA-N 0 0 312.391 0.014 50 0 DCAARN CC[C@H](NC(=O)Cn1ncc(N(C)C)cc1=O)c1ccnn1C ZINC000020137626 257103093 /nfs/dbraw/zinc/10/30/93/257103093.db2.gz WIMOMLQSXMQBNR-LBPRGKRZSA-N 0 0 318.381 0.310 50 0 DCAARN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCCCCC1 ZINC000014124387 257233595 /nfs/dbraw/zinc/23/35/95/257233595.db2.gz USQJPMALXUDSSU-JTQLQIEISA-N 0 0 308.382 0.113 50 0 DCAARN O=C(c1ccc(Cn2cccn2)o1)N1CCS(=O)(=O)CC1 ZINC000216506625 257273273 /nfs/dbraw/zinc/27/32/73/257273273.db2.gz MYMQVMUOVUTAHX-UHFFFAOYSA-N 0 0 309.347 0.395 50 0 DCAARN CNc1ncc(CN(C)c2nccc(N3CC[C@@H](O)C3)n2)cn1 ZINC000216470329 257273737 /nfs/dbraw/zinc/27/37/37/257273737.db2.gz VFJXWJNEIQIGQC-GFCCVEGCSA-N 0 0 315.381 0.516 50 0 DCAARN Cc1cc(NC(=O)NC[C@@H](O)CO)ccc1N1CCCC1=O ZINC000426523714 257247370 /nfs/dbraw/zinc/24/73/70/257247370.db2.gz SQCDGHFHJYHWMV-GFCCVEGCSA-N 0 0 307.350 0.597 50 0 DCAARN C[C@H](C(=O)NCCc1cn[nH]n1)n1c(=O)oc2ccccc21 ZINC000426523746 257247648 /nfs/dbraw/zinc/24/76/48/257247648.db2.gz WVKWAYRMIAOJFK-SECBINFHSA-N 0 0 301.306 0.633 50 0 DCAARN O=C(CCn1ccc(=O)[nH]c1=O)N1CCC(c2ncon2)CC1 ZINC000426477435 257249102 /nfs/dbraw/zinc/24/91/02/257249102.db2.gz RWZNDOKJFPLONH-UHFFFAOYSA-N 0 0 319.321 0.128 50 0 DCAARN CSCc1nc(CCNC(=O)CN(C)C(N)=O)cs1 ZINC000426441732 257250245 /nfs/dbraw/zinc/25/02/45/257250245.db2.gz HBQPIDVTIKBALT-UHFFFAOYSA-N 0 0 302.425 0.675 50 0 DCAARN Cn1c2ccc(CNC(=O)C[C@@H]3CCOC3)cc2n(C)c1=O ZINC000426409573 257250902 /nfs/dbraw/zinc/25/09/02/257250902.db2.gz XCGJQNQVCQQVRK-LBPRGKRZSA-N 0 0 303.362 0.920 50 0 DCAARN CCc1nnc(CN2CCC[C@@H](c3ccn(CCO)n3)C2)[nH]1 ZINC000426423145 257251083 /nfs/dbraw/zinc/25/10/83/257251083.db2.gz XALNJRYUDCZTCH-GFCCVEGCSA-N 0 0 304.398 0.936 50 0 DCAARN Cc1cc(C)nc(CCNC(=O)N2CCS(=O)(=O)CC2)n1 ZINC000426386387 257252720 /nfs/dbraw/zinc/25/27/20/257252720.db2.gz QVMPFODVFBPYSH-UHFFFAOYSA-N 0 0 312.395 0.076 50 0 DCAARN Cc1nccn1CCCNC(=O)NCC(=O)Nc1nccs1 ZINC000426370944 257252978 /nfs/dbraw/zinc/25/29/78/257252978.db2.gz KELYSGDXHWUCTK-UHFFFAOYSA-N 0 0 322.394 0.976 50 0 DCAARN C[C@@H](CN1CCOCC1)Nc1cc(N2CCC[C@H]2CO)ncn1 ZINC000257365206 257257534 /nfs/dbraw/zinc/25/75/34/257257534.db2.gz KTKPXCQEOHSRHC-KBPBESRZSA-N 0 0 321.425 0.570 50 0 DCAARN COc1ccc(C2=NO[C@@H](C(=O)N3CCN(C)CC3)C2)cc1 ZINC000020220089 257268836 /nfs/dbraw/zinc/26/88/36/257268836.db2.gz SDZZQVRMECKOAB-OAHLLOKOSA-N 0 0 303.362 0.962 50 0 DCAARN CNS(=O)(=O)C[C@H]1CCCN1Cc1occc1C(=O)OC ZINC000075105064 257271155 /nfs/dbraw/zinc/27/11/55/257271155.db2.gz JNLWCDOWIWOFDJ-SNVBAGLBSA-N 0 0 316.379 0.580 50 0 DCAARN O=C(CC1CCCCC1)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000071968190 184915139 /nfs/dbraw/zinc/91/51/39/184915139.db2.gz MZHBCEDRHSVMBY-UHFFFAOYSA-N 0 0 320.397 0.314 50 0 DCAARN CN(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N2CCCCC2)n1 ZINC000004037159 134457828 /nfs/dbraw/zinc/45/78/28/134457828.db2.gz QZGFAPJNGIPXNJ-UHFFFAOYSA-N 0 0 317.353 0.804 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000009761523 134494131 /nfs/dbraw/zinc/49/41/31/134494131.db2.gz QXTAUQLCVJMVII-UHFFFAOYSA-N 0 0 306.391 0.931 50 0 DCAARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(C)c1=O ZINC000008610861 395684709 /nfs/dbraw/zinc/68/47/09/395684709.db2.gz HPWWHQIEAFSREI-LLVKDONJSA-N 0 0 316.361 0.768 50 0 DCAARN O=c1c2ccccc2nnn1CSc1nnnn1C1CC1 ZINC000008545116 395684741 /nfs/dbraw/zinc/68/47/41/395684741.db2.gz XNFFEEJLMNYDAF-UHFFFAOYSA-N 0 0 301.335 0.863 50 0 DCAARN CNC(=O)c1cccc(NC(=O)[C@@H](CCSC)NC(N)=O)c1 ZINC000008726429 395684878 /nfs/dbraw/zinc/68/48/78/395684878.db2.gz TVJGCADQUWDJEG-LLVKDONJSA-N 0 0 324.406 0.775 50 0 DCAARN COC(=O)CNC(=O)CCCn1cnc2ccccc2c1=O ZINC000008935442 395685030 /nfs/dbraw/zinc/68/50/30/395685030.db2.gz ZNZXPIPQCUEYQK-UHFFFAOYSA-N 0 0 303.318 0.466 50 0 DCAARN COC(=O)CNC(=O)COCC(=O)Nc1ccc(Cl)cc1 ZINC000009095077 395685106 /nfs/dbraw/zinc/68/51/06/395685106.db2.gz DINOXBWXDYSVMU-UHFFFAOYSA-N 0 0 314.725 0.584 50 0 DCAARN CCNC(=O)N1CCNC(=O)[C@@H]1CC(=O)Nc1ccccc1C ZINC000009484018 395685413 /nfs/dbraw/zinc/68/54/13/395685413.db2.gz MIAOBDSZOQGHNY-ZDUSSCGKSA-N 0 0 318.377 0.854 50 0 DCAARN COc1cc(OC)cc(C(=O)NCC(=O)N2CCO[C@H](C)C2)c1 ZINC000009854096 395685506 /nfs/dbraw/zinc/68/55/06/395685506.db2.gz STGRUXPZZBMZKG-LLVKDONJSA-N 0 0 322.361 0.681 50 0 DCAARN CC(=O)NCCn1ncc2c1ncn(Cc1ccccc1)c2=O ZINC000009821980 395685688 /nfs/dbraw/zinc/68/56/88/395685688.db2.gz XVYNEWDFAKOJPQ-UHFFFAOYSA-N 0 0 311.345 0.777 50 0 DCAARN O=C(COc1cccc2c1CCC2=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000010198022 395685979 /nfs/dbraw/zinc/68/59/79/395685979.db2.gz CCVPWEHRJJUWAA-SNVBAGLBSA-N 0 0 323.370 0.498 50 0 DCAARN NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000010746838 395686222 /nfs/dbraw/zinc/68/62/22/395686222.db2.gz QGIXUFUXJSUWEE-LBPRGKRZSA-N 0 0 323.374 0.210 50 0 DCAARN COC(=O)COC(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000011541220 395686743 /nfs/dbraw/zinc/68/67/43/395686743.db2.gz VXPPXAXKQKMBHF-UHFFFAOYSA-N 0 0 316.269 0.859 50 0 DCAARN NC(=O)[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc21)c1ccccc1 ZINC000012050348 395686905 /nfs/dbraw/zinc/68/69/05/395686905.db2.gz WALHSVBOJODWPK-ZDUSSCGKSA-N 0 0 322.324 0.880 50 0 DCAARN COC(=O)Cn1c(=N)sc2cc(S(N)(=O)=O)ccc21 ZINC000011919952 395686998 /nfs/dbraw/zinc/68/69/98/395686998.db2.gz NGAMLQDTEHXTPS-UHFFFAOYSA-N 0 0 301.349 0.003 50 0 DCAARN CC1(C)C(=O)OCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000012193417 395687252 /nfs/dbraw/zinc/68/72/52/395687252.db2.gz JWGFIDPOSXSIKI-UHFFFAOYSA-N 0 0 324.358 0.507 50 0 DCAARN COCCNc1nc2nonc2nc1N1CC[C@H](COC)C1 ZINC000012386251 395687553 /nfs/dbraw/zinc/68/75/53/395687553.db2.gz RUMQZKDDDIGCBW-VIFPVBQESA-N 0 0 308.342 0.544 50 0 DCAARN CC(=O)Nc1ncc(S(=O)(=O)NC[C@@H]2CCCO2)s1 ZINC000012379795 395687628 /nfs/dbraw/zinc/68/76/28/395687628.db2.gz YMFBQBDRSXGOEE-QMMMGPOBSA-N 0 0 305.381 0.559 50 0 DCAARN COc1ccccc1N1CCN(Cc2nc(N)nc(N)n2)CC1 ZINC000012533847 395687829 /nfs/dbraw/zinc/68/78/29/395687829.db2.gz GDDRWNYIZHIWLR-UHFFFAOYSA-N 0 0 315.381 0.367 50 0 DCAARN O=C(Cn1nnnc1CN1CCCCCC1)NCC(F)(F)F ZINC000012708479 395687832 /nfs/dbraw/zinc/68/78/32/395687832.db2.gz OVYZMYHZVWZACD-UHFFFAOYSA-N 0 0 320.319 0.728 50 0 DCAARN CC[C@@]1(C)NC(=O)N(NC(=O)Cc2ccccc2OC)C1=O ZINC000012760021 395687963 /nfs/dbraw/zinc/68/79/63/395687963.db2.gz JPCRAMIAUSPFNJ-OAHLLOKOSA-N 0 0 305.334 0.989 50 0 DCAARN COC(=O)c1cccc(NC(=O)CCN2C(=O)CCC2=O)c1 ZINC000012757780 395687975 /nfs/dbraw/zinc/68/79/75/395687975.db2.gz CGYAMBZGSBTHJM-UHFFFAOYSA-N 0 0 304.302 0.951 50 0 DCAARN O=C1CN(C[C@H](O)CO[C@H]2CCCc3ccccc32)CCN1 ZINC000012875862 395688120 /nfs/dbraw/zinc/68/81/20/395688120.db2.gz UNLZBCJIGFPMQN-HOCLYGCPSA-N 0 0 304.390 0.873 50 0 DCAARN COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H]1C(N)=O ZINC000012934295 395688163 /nfs/dbraw/zinc/68/81/63/395688163.db2.gz JWLSEXWRMHYYCG-ZETCQYMHSA-N 0 0 318.376 0.173 50 0 DCAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000012925350 395688215 /nfs/dbraw/zinc/68/82/15/395688215.db2.gz IAXQHNIWEAUEAY-LBPRGKRZSA-N 0 0 301.346 0.674 50 0 DCAARN CNC(=O)C1CCN(CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000013008186 395688342 /nfs/dbraw/zinc/68/83/42/395688342.db2.gz WSHHOXLGVRGVAT-UHFFFAOYSA-N 0 0 322.409 0.657 50 0 DCAARN C[C@@H]1CN(C(=O)CN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000013116828 395688373 /nfs/dbraw/zinc/68/83/73/395688373.db2.gz UEGJRLFMYKIMGV-PHIMTYICSA-N 0 0 302.330 0.918 50 0 DCAARN Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCC[NH+](C)C)c1C ZINC000013078516 395688449 /nfs/dbraw/zinc/68/84/49/395688449.db2.gz AGZTYEXFZSVQCM-UHFFFAOYSA-N 0 0 300.380 0.842 50 0 DCAARN O=C(NCCO)[C@H]1CCCN(c2nc(Cl)nc3nc[nH]c32)C1 ZINC000013569306 395688693 /nfs/dbraw/zinc/68/86/93/395688693.db2.gz GUSADNYVDLDLDM-QMMMGPOBSA-N 0 0 324.772 0.331 50 0 DCAARN Cn1ccnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000013694321 395688752 /nfs/dbraw/zinc/68/87/52/395688752.db2.gz CRSSJDPDPXQZFZ-UHFFFAOYSA-N 0 0 305.426 0.945 50 0 DCAARN O=C(NCCN1CCOCC1)c1nc(-c2ccccc2)no1 ZINC000013692488 395688854 /nfs/dbraw/zinc/68/88/54/395688854.db2.gz MPZVUUYUWLOCKD-UHFFFAOYSA-N 0 0 302.334 0.799 50 0 DCAARN CCCNC(=O)COCC(=O)N1CCN(c2ccccc2)CC1 ZINC000013943997 395688930 /nfs/dbraw/zinc/68/89/30/395688930.db2.gz MMSOXADGJLFFSG-UHFFFAOYSA-N 0 0 319.405 0.878 50 0 DCAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCCO)cc2O1 ZINC000013733187 395688959 /nfs/dbraw/zinc/68/89/59/395688959.db2.gz JWGZSBQSHNKQRT-UHFFFAOYSA-N 0 0 309.318 0.623 50 0 DCAARN Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NC[C@H]1CCCO1 ZINC000014031533 395689041 /nfs/dbraw/zinc/68/90/41/395689041.db2.gz DKVMIDYWKHBMHK-WDEREUQCSA-N 0 0 309.391 0.884 50 0 DCAARN O=C1CNC(=S)N1Cc1ccccc1CN1CCOCC1 ZINC000014114606 395689062 /nfs/dbraw/zinc/68/90/62/395689062.db2.gz VDVRKOHKKKHFTO-UHFFFAOYSA-N 0 0 305.403 0.736 50 0 DCAARN O=c1[nH]c(CN2CCOCC2)nc2c1cnn2-c1ccccc1 ZINC000014113262 395689103 /nfs/dbraw/zinc/68/91/03/395689103.db2.gz JWKDVLHKGYKVOD-UHFFFAOYSA-N 0 0 311.345 0.941 50 0 DCAARN C[C@H](Sc1nncs1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000014139872 395689198 /nfs/dbraw/zinc/68/91/98/395689198.db2.gz DYZHQVAGMMBXQK-YUMQZZPRSA-N 0 0 321.449 0.664 50 0 DCAARN COCCNC(=O)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O ZINC000014170299 395689389 /nfs/dbraw/zinc/68/93/89/395689389.db2.gz IQLWZAMYKRJLPD-LLVKDONJSA-N 0 0 305.334 0.606 50 0 DCAARN COC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000014186234 395689405 /nfs/dbraw/zinc/68/94/05/395689405.db2.gz VNMNYQSBJZSUAO-IUCAKERBSA-N 0 0 305.286 0.776 50 0 DCAARN COc1ccc(CN2CCN3C(=O)[C@H](C)NC(=O)[C@H]3C2)cc1 ZINC000014743007 395689542 /nfs/dbraw/zinc/68/95/42/395689542.db2.gz VGMPBXURAZEAHW-SMDDNHRTSA-N 0 0 303.362 0.226 50 0 DCAARN O=C(NCCN1CCOCC1)N1CCN(c2ccccc2)CC1 ZINC000026162235 395694044 /nfs/dbraw/zinc/69/40/44/395694044.db2.gz MAYXLPUSZPNGST-UHFFFAOYSA-N 0 0 318.421 0.850 50 0 DCAARN Cc1ccc(NC(=O)CC(=O)NCCN2CCOCC2)cc1 ZINC000019720633 395691037 /nfs/dbraw/zinc/69/10/37/395691037.db2.gz RXPKNRUSQFWLTL-UHFFFAOYSA-N 0 0 305.378 0.772 50 0 DCAARN O=C(NCc1ccnc(N2CCOCC2)c1)c1ccc[nH]c1=O ZINC000025291072 395693297 /nfs/dbraw/zinc/69/32/97/395693297.db2.gz OVCFVXNURSLNST-UHFFFAOYSA-N 0 0 314.345 0.537 50 0 DCAARN COC(=O)[C@@H](NC=O)[C@](O)(c1ccc(OC)cc1)C(F)(F)F ZINC000000160720 395679908 /nfs/dbraw/zinc/67/99/08/395679908.db2.gz YMSFIWDVMABWCQ-ZYHUDNBSSA-N 0 0 321.251 0.733 50 0 DCAARN CCN(Cc1ccccc1)c1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000000135610 395679983 /nfs/dbraw/zinc/67/99/83/395679983.db2.gz UOQVSFHRDFGMBX-UHFFFAOYSA-N 0 0 313.361 0.987 50 0 DCAARN CS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000000268340 395680187 /nfs/dbraw/zinc/68/01/87/395680187.db2.gz DUUILCKKZUITFW-UHFFFAOYSA-N 0 0 318.420 0.094 50 0 DCAARN CCCn1c(CN2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000392115 395680299 /nfs/dbraw/zinc/68/02/99/395680299.db2.gz OBGWCILBJAEVRE-UHFFFAOYSA-N 0 0 319.409 0.830 50 0 DCAARN O=c1[nH]c2ccc(S(=O)(=O)NC3CCCC3)cc2[nH]c1=O ZINC000000423430 395680468 /nfs/dbraw/zinc/68/04/68/395680468.db2.gz CJZPLYXWJFMSQN-UHFFFAOYSA-N 0 0 309.347 0.437 50 0 DCAARN O=C(c1ncn2c1nnn(-c1ccccc1)c2=O)N1CCCCC1 ZINC000001414595 395680789 /nfs/dbraw/zinc/68/07/89/395680789.db2.gz OLTBLDCDKPJHEX-UHFFFAOYSA-N 0 0 324.344 0.901 50 0 DCAARN COc1cccc(CNc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)c1 ZINC000001409296 395680792 /nfs/dbraw/zinc/68/07/92/395680792.db2.gz QEAFODNOVJGIJM-UHFFFAOYSA-N 0 0 315.333 0.581 50 0 DCAARN CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)NC1CCCCC1 ZINC000001430606 395680831 /nfs/dbraw/zinc/68/08/31/395680831.db2.gz XJQNVCUBXUXZDU-GFCCVEGCSA-N 0 0 311.382 0.782 50 0 DCAARN CCOC(=O)[C@H](CO)NC(=O)c1cncc(Br)c1 ZINC000002434857 395681569 /nfs/dbraw/zinc/68/15/69/395681569.db2.gz PJBZMYUYRKWIIC-VIFPVBQESA-N 0 0 317.139 0.498 50 0 DCAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC000002699278 395681835 /nfs/dbraw/zinc/68/18/35/395681835.db2.gz QSFKZQNADNMALI-JTQLQIEISA-N 0 0 305.290 0.400 50 0 DCAARN CCOC(=O)C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000002803969 395681866 /nfs/dbraw/zinc/68/18/66/395681866.db2.gz UNDBHXOUZZLOBH-UHFFFAOYSA-N 0 0 301.368 0.384 50 0 DCAARN COc1ccc2sc(C)[n+](C[C@H](O)CS(=O)(=O)[O-])c2c1 ZINC000002831198 395681931 /nfs/dbraw/zinc/68/19/31/395681931.db2.gz WTHXMPIUXHZQHR-VIFPVBQESA-O 0 0 318.396 0.755 50 0 DCAARN COCCNC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000002966061 395682018 /nfs/dbraw/zinc/68/20/18/395682018.db2.gz RBEQDZAHMLXADP-UHFFFAOYSA-N 0 0 314.407 0.832 50 0 DCAARN CCOCCCNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000003007862 395682150 /nfs/dbraw/zinc/68/21/50/395682150.db2.gz PAAKJIUUGLTPCY-LBPRGKRZSA-N 0 0 306.428 0.591 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(C)C)c1 ZINC000003247491 395682439 /nfs/dbraw/zinc/68/24/39/395682439.db2.gz BLOJCGPGCIYXJZ-UHFFFAOYSA-N 0 0 314.363 0.276 50 0 DCAARN CCS(=O)(=O)CCN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000004480284 395682473 /nfs/dbraw/zinc/68/24/73/395682473.db2.gz ZELKQJIDYHTNBE-QWHCGFSZSA-N 0 0 310.419 0.702 50 0 biogenic DCAARN COc1ccc(S(=O)(=O)N2CCSCC2)cc1C(N)=O ZINC000006743664 395683057 /nfs/dbraw/zinc/68/30/57/395683057.db2.gz MJPMTIRVCYUWCU-UHFFFAOYSA-N 0 0 316.404 0.532 50 0 DCAARN C[C@H](OC(=O)[C@@H]1CCCO1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000007034040 395683221 /nfs/dbraw/zinc/68/32/21/395683221.db2.gz JANBPAHONQPWCG-CABZTGNLSA-N 0 0 306.318 0.835 50 0 DCAARN CCN1C(=O)C(=O)N(Cc2cc(=O)n3c(C)cccc3n2)C1=O ZINC000029875196 395700660 /nfs/dbraw/zinc/70/06/60/395700660.db2.gz WVVGSYZOERDVJW-UHFFFAOYSA-N 0 0 314.301 0.314 50 0 DCAARN O=C(NCCc1ccncc1)[C@@H]1CC(=O)N(C2CCOCC2)C1 ZINC000085472795 395701373 /nfs/dbraw/zinc/70/13/73/395701373.db2.gz POSDOULFSOBKCV-CQSZACIVSA-N 0 0 317.389 0.768 50 0 DCAARN Cc1cnc2n(c1=O)C[C@@H](C(=O)NCc1ccccn1)CS2 ZINC000085473672 395701467 /nfs/dbraw/zinc/70/14/67/395701467.db2.gz WEQJKUHKVKXEIB-LLVKDONJSA-N 0 0 316.386 0.985 50 0 DCAARN CC[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2C)CCO1 ZINC000030853091 395704294 /nfs/dbraw/zinc/70/42/94/395704294.db2.gz WVTLTLWUDAMPRW-LLVKDONJSA-N 0 0 312.391 0.893 50 0 DCAARN CC(C)c1noc(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 ZINC000030870698 395704709 /nfs/dbraw/zinc/70/47/09/395704709.db2.gz MEYKGNYYIPHUBT-SECBINFHSA-N 0 0 301.368 0.429 50 0 DCAARN COc1ccc(OC)c([C@@H](O)CNC(=O)c2ccc(=O)[nH]n2)c1 ZINC000031342011 395706337 /nfs/dbraw/zinc/70/63/37/395706337.db2.gz SESXPHNFHRAGQW-LBPRGKRZSA-N 0 0 319.317 0.663 50 0 DCAARN CS(=O)(=O)N1CCC(C(=O)Nc2nnc3ccccn32)CC1 ZINC000031737910 395708178 /nfs/dbraw/zinc/70/81/78/395708178.db2.gz DEFAAFRHTMDGLM-UHFFFAOYSA-N 0 0 323.378 0.339 50 0 DCAARN Cc1cnc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)cn1 ZINC000031941304 395708462 /nfs/dbraw/zinc/70/84/62/395708462.db2.gz MWMFBCBBYUNGHO-OAHLLOKOSA-N 0 0 322.434 0.723 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)CCn3ccnc3)CCO2)[nH]1 ZINC000089289748 395710050 /nfs/dbraw/zinc/71/00/50/395710050.db2.gz FDKJWHRXYSLXCL-NSHDSACASA-N 0 0 304.354 0.554 50 0 DCAARN C[C@H]1C[C@@H]1CNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000032390184 395710788 /nfs/dbraw/zinc/71/07/88/395710788.db2.gz WRXWFVUPIRNOOL-CMPLNLGQSA-N 0 0 315.381 0.508 50 0 DCAARN C[C@H]1NC(C(=O)N2CCOCC2)=NN(c2ccccc2)C1=O ZINC000032644956 395711976 /nfs/dbraw/zinc/71/19/76/395711976.db2.gz YTUGSXGDUFERIA-LLVKDONJSA-N 0 0 302.334 0.184 50 0 DCAARN C[C@@H](NCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1F ZINC000032811061 395713571 /nfs/dbraw/zinc/71/35/71/395713571.db2.gz XZXJSMUNNTZUDI-GHMZBOCLSA-N 0 0 314.382 0.780 50 0 DCAARN O=C([C@H]1COCCO1)N1CCC[C@H]1c1nnc2ccccn21 ZINC000032821447 395713755 /nfs/dbraw/zinc/71/37/55/395713755.db2.gz VSLLSAMKUSPEKF-NWDGAFQWSA-N 0 0 302.334 0.808 50 0 DCAARN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(C)C[C@H]1C ZINC000089643137 395713785 /nfs/dbraw/zinc/71/37/85/395713785.db2.gz AONVUWVGKJEQQZ-LLVKDONJSA-N 0 0 311.407 0.419 50 0 DCAARN CCS(=O)(=O)N1CCC(Nc2cn[nH]c(=O)c2Cl)CC1 ZINC000032906796 395714398 /nfs/dbraw/zinc/71/43/98/395714398.db2.gz HQSSFEXOCAQOJX-UHFFFAOYSA-N 0 0 320.802 0.649 50 0 DCAARN O=C(Nc1cccnc1N1CCSCC1)[C@@H]1CNC(=O)N1 ZINC000089773297 395714895 /nfs/dbraw/zinc/71/48/95/395714895.db2.gz DOVUXAPUTPAZDQ-JTQLQIEISA-N 0 0 307.379 0.255 50 0 DCAARN O=C(NCc1cccnc1N1CCCCC1)[C@@H]1CNC(=O)N1 ZINC000089773257 395714926 /nfs/dbraw/zinc/71/49/26/395714926.db2.gz LWVLHKKMEMYJFB-LBPRGKRZSA-N 0 0 303.366 0.370 50 0 DCAARN O=C(Cn1ccnc1)NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000089769926 395714968 /nfs/dbraw/zinc/71/49/68/395714968.db2.gz WIOJOFFLLGPKCV-SNVBAGLBSA-N 0 0 311.288 0.717 50 0 DCAARN O=S1(=O)CCC[C@@H]1CNCc1cnn(-c2ccccc2)n1 ZINC000089857651 395715839 /nfs/dbraw/zinc/71/58/39/395715839.db2.gz PIEYTDOJRLGQPA-CQSZACIVSA-N 0 0 306.391 0.934 50 0 DCAARN CC(C)c1nnc([C@H]2CN(C(=O)c3cnns3)CCO2)[nH]1 ZINC000089893539 395715844 /nfs/dbraw/zinc/71/58/44/395715844.db2.gz AGYDXCRNGFAWAZ-MRVPVSSYSA-N 0 0 308.367 0.993 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000089904338 395716313 /nfs/dbraw/zinc/71/63/13/395716313.db2.gz YKDBUIQSDMOUOW-GHMZBOCLSA-N 0 0 300.384 0.100 50 0 DCAARN O=C(CNC(=O)COc1ccccc1)NCc1cscn1 ZINC000033138823 395716646 /nfs/dbraw/zinc/71/66/46/395716646.db2.gz TXQARIVYMVWOBH-UHFFFAOYSA-N 0 0 305.359 0.955 50 0 DCAARN C[C@H](NC(=O)[C@H]1CN(C)CCO1)c1cn(-c2ccccc2)nn1 ZINC000089913490 395716670 /nfs/dbraw/zinc/71/66/70/395716670.db2.gz KZVOYXSUSWGJKL-SWLSCSKDSA-N 0 0 315.377 0.775 50 0 DCAARN C[C@H]1CN(C)CCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000089937992 395716945 /nfs/dbraw/zinc/71/69/45/395716945.db2.gz PWJUOUCULGMIHW-LBPRGKRZSA-N 0 0 315.377 0.344 50 0 DCAARN NS(=O)(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000034412164 395718299 /nfs/dbraw/zinc/71/82/99/395718299.db2.gz LARKOLFEAXKGBN-UHFFFAOYSA-N 0 0 312.372 0.648 50 0 DCAARN CCCCCNC(=O)c1[nH]nc2c1CN(C(=O)COC)CC2 ZINC000034809738 395718303 /nfs/dbraw/zinc/71/83/03/395718303.db2.gz GTGFYXMZLRXPDX-UHFFFAOYSA-N 0 0 308.382 0.861 50 0 DCAARN Cc1cc(NC(=O)CN2CCN(c3cnccn3)CC2)no1 ZINC000027629274 395695350 /nfs/dbraw/zinc/69/53/50/395695350.db2.gz SIGWFYOYQPTYOA-UHFFFAOYSA-N 0 0 302.338 0.534 50 0 DCAARN COc1ccccc1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000029207943 395697517 /nfs/dbraw/zinc/69/75/17/395697517.db2.gz XOSKFYJXQNTRHJ-NSHDSACASA-N 0 0 312.391 0.849 50 0 DCAARN COc1ccccc1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000029207939 395697788 /nfs/dbraw/zinc/69/77/88/395697788.db2.gz XOSKFYJXQNTRHJ-LLVKDONJSA-N 0 0 312.391 0.849 50 0 DCAARN NC(=O)[C@@H]1CC(C(=O)NCc2ccccn2)=NN1c1ccccc1 ZINC000029435506 395698141 /nfs/dbraw/zinc/69/81/41/395698141.db2.gz HZKREMZLEYODJN-HNNXBMFYSA-N 0 0 323.356 0.818 50 0 DCAARN CCNC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000029636419 395699014 /nfs/dbraw/zinc/69/90/14/395699014.db2.gz XFWIGSAQAAXSES-UHFFFAOYSA-N 0 0 305.378 0.669 50 0 DCAARN COCC[C@]1(O)CCN(S(=O)(=O)N(C)C(C)C)C[C@H]1C ZINC000092077854 395728934 /nfs/dbraw/zinc/72/89/34/395728934.db2.gz KLPAJYSVIBYPTA-CHWSQXEVSA-N 0 0 308.444 0.681 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)[C@H](C)n3cccn3)CCO2)[nH]1 ZINC000095402171 395740374 /nfs/dbraw/zinc/74/03/74/395740374.db2.gz GHAGGBGHASTIDS-WDEREUQCSA-N 0 0 304.354 0.725 50 0 DCAARN Cn1nnnc1COc1ccc(CC(=O)N2CCCC2)cc1 ZINC000096191967 395748351 /nfs/dbraw/zinc/74/83/51/395748351.db2.gz FMFPSEKULLZOPG-UHFFFAOYSA-N 0 0 301.350 0.954 50 0 DCAARN Cn1nnnc1COc1ccc(C(=O)N2CCOCC2)cc1 ZINC000096101293 395744368 /nfs/dbraw/zinc/74/43/68/395744368.db2.gz MEEFXLCPRQVOFF-UHFFFAOYSA-N 0 0 303.322 0.262 50 0 DCAARN CN(C)S(=O)(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000096099695 395744410 /nfs/dbraw/zinc/74/44/10/395744410.db2.gz VNVFYXLAVDAODZ-UHFFFAOYSA-N 0 0 322.383 0.090 50 0 DCAARN CCn1nc(Cn2cncn2)nc1CN1CCCCCC1=O ZINC000096132318 395745551 /nfs/dbraw/zinc/74/55/51/395745551.db2.gz VOBMIDKMOXJGGW-UHFFFAOYSA-N 0 0 303.370 0.840 50 0 DCAARN O=C(Cc1ccc(-n2cccn2)cc1)NC[C@@]1(O)CCOC1 ZINC000096484670 395753907 /nfs/dbraw/zinc/75/39/07/395753907.db2.gz XOEHPQPOWNHMPX-INIZCTEOSA-N 0 0 301.346 0.682 50 0 DCAARN CCc1ccc(CN2CCN(C(=O)CN3CCOCC3)CC2)o1 ZINC000096489559 395754254 /nfs/dbraw/zinc/75/42/54/395754254.db2.gz FYWPLXHMDWHREP-UHFFFAOYSA-N 0 0 321.421 0.818 50 0 DCAARN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NCCCO ZINC000097367486 395757105 /nfs/dbraw/zinc/75/71/05/395757105.db2.gz QQVFYDWZRYCWFZ-ZDUSSCGKSA-N 0 0 307.329 0.403 50 0 DCAARN CC(C)NC(=O)[C@H](C)N1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000097378016 395757534 /nfs/dbraw/zinc/75/75/34/395757534.db2.gz MRJUCSDXMMEIJX-WDEREUQCSA-N 0 0 311.348 0.440 50 0 DCAARN CN(C)c1noc(CNC(=O)[C@@H]2COCCN2CC2CCC2)n1 ZINC000193900048 395782060 /nfs/dbraw/zinc/78/20/60/395782060.db2.gz YTTYCZNWFSOPJE-LBPRGKRZSA-N 0 0 323.397 0.253 50 0 DCAARN C[C@@H](C(=O)N1CCN(C)C[C@@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000107581750 395785568 /nfs/dbraw/zinc/78/55/68/395785568.db2.gz LPLKMPANGXDRTJ-RYUDHWBXSA-N 0 0 322.409 0.402 50 0 DCAARN CC(=O)N1CCN([C@H]2CN(Cc3nc(C)no3)C[C@@H]2C)CC1 ZINC000107584126 395785668 /nfs/dbraw/zinc/78/56/68/395785668.db2.gz DQIRDMDKSXSZAP-FZMZJTMJSA-N 0 0 307.398 0.362 50 0 DCAARN C[C@H](c1nnnn1-c1ccccc1)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000108120880 395786321 /nfs/dbraw/zinc/78/63/21/395786321.db2.gz GKKXFAURACPONY-SNPRPXQTSA-N 0 0 314.393 0.738 50 0 DCAARN COCC1(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CCC1 ZINC000097505218 395758833 /nfs/dbraw/zinc/75/88/33/395758833.db2.gz HXPABRPTGAGUGQ-UHFFFAOYSA-N 0 0 312.391 0.767 50 0 DCAARN COc1cccc(OC[C@H](O)CNC(=O)C2CCOCC2)c1 ZINC000097696245 395759903 /nfs/dbraw/zinc/75/99/03/395759903.db2.gz KKUGODLJPQCSPF-CYBMUJFWSA-N 0 0 309.362 0.978 50 0 DCAARN C[C@H](NC(=O)c1cc(=O)n(C)c(=O)n1C)c1ccc(O)c(F)c1 ZINC000097634994 395759947 /nfs/dbraw/zinc/75/99/47/395759947.db2.gz WJFXPBWJOKBNOE-QMMMGPOBSA-N 0 0 321.308 0.420 50 0 DCAARN C[C@H](C(=O)N1CCC(Oc2ncccn2)CC1)N1CCCC1=O ZINC000097797209 395760729 /nfs/dbraw/zinc/76/07/29/395760729.db2.gz ISLVEAWQWXZXOZ-GFCCVEGCSA-N 0 0 318.377 0.857 50 0 DCAARN C[C@H](NS(C)(=O)=O)c1nc(C2CCCC2)nn1CCO ZINC000097772963 395761033 /nfs/dbraw/zinc/76/10/33/395761033.db2.gz KLOSUXWQATWTHJ-VIFPVBQESA-N 0 0 302.400 0.538 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)NCc1ncc(-c2ccccc2)o1 ZINC000097907393 395761056 /nfs/dbraw/zinc/76/10/56/395761056.db2.gz HGYYZTNEJUNFDA-SNVBAGLBSA-N 0 0 314.301 0.556 50 0 DCAARN CN1C(=O)[C@H](CC(=O)NCCCc2ccc(O)cc2)N(C)C1=O ZINC000097815353 395761133 /nfs/dbraw/zinc/76/11/33/395761133.db2.gz SSSNNIQDIVLYDG-ZDUSSCGKSA-N 0 0 319.361 0.724 50 0 DCAARN CC(C)n1nccc1NC(=O)[C@H](C)N1CCN(CCO)CC1 ZINC000098068861 395761744 /nfs/dbraw/zinc/76/17/44/395761744.db2.gz HYSUUJYRAKUGFG-ZDUSSCGKSA-N 0 0 309.414 0.401 50 0 DCAARN C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)S(C)(=O)=O ZINC000045881494 395767878 /nfs/dbraw/zinc/76/78/78/395767878.db2.gz MISSMZQQHRHMMJ-WDEREUQCSA-N 0 0 313.375 0.718 50 0 DCAARN C[C@@H](C(=O)N1CCN(Cc2cccnc2)CC1)n1cncn1 ZINC000045888862 395768266 /nfs/dbraw/zinc/76/82/66/395768266.db2.gz FOMRVXCWRIWZGJ-ZDUSSCGKSA-N 0 0 300.366 0.579 50 0 DCAARN Cc1cc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)no1 ZINC000046166766 395772301 /nfs/dbraw/zinc/77/23/01/395772301.db2.gz NZQBWJKADXJLPE-GFCCVEGCSA-N 0 0 306.366 0.106 50 0 DCAARN C[C@H](NC(=O)CCn1cncn1)c1ccc2c(c1)NC(=O)CO2 ZINC000046385643 395776110 /nfs/dbraw/zinc/77/61/10/395776110.db2.gz AKVRLFCHLYZPQP-JTQLQIEISA-N 0 0 315.333 0.877 50 0 DCAARN COc1ccccc1OCC(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000104111191 395777697 /nfs/dbraw/zinc/77/76/97/395777697.db2.gz RRYJUSQMFROKFH-LLVKDONJSA-N 0 0 318.329 0.480 50 0 DCAARN CC(C)CNC(=O)[C@@H]1CCCN(c2ccc3nnnn3n2)C1 ZINC000052100528 395858667 /nfs/dbraw/zinc/85/86/67/395858667.db2.gz SYLWRZZZUHANGH-LLVKDONJSA-N 0 0 303.370 0.508 50 0 DCAARN CS(=O)(=O)CCNc1ccc2nnc(C(F)(F)F)n2n1 ZINC000049236055 395829633 /nfs/dbraw/zinc/82/96/33/395829633.db2.gz HBFJMNKGUNKQJF-UHFFFAOYSA-N 0 0 309.273 0.600 50 0 DCAARN O=C(Cc1ccccn1)N1CCCO[C@H](CN2CCOCC2)C1 ZINC000215397894 395836677 /nfs/dbraw/zinc/83/66/77/395836677.db2.gz MZTHHVBWUANVMV-MRXNPFEDSA-N 0 0 319.405 0.574 50 0 DCAARN COc1ccc([C@@H](CC(N)=O)c2c(C)[nH][nH]c2=O)cc1CO ZINC000218392926 395843203 /nfs/dbraw/zinc/84/32/03/395843203.db2.gz ZYPLRACTUZAMCU-LLVKDONJSA-N 0 0 305.334 0.520 50 0 DCAARN COC[C@H]1[C@@H](NC(=O)c2cn3cccnc3n2)[C@@H]2CCO[C@H]12 ZINC000218947500 395843486 /nfs/dbraw/zinc/84/34/86/395843486.db2.gz NLFXLHAQXQMWEW-UKJIMTQDSA-N 0 0 302.334 0.509 50 0 DCAARN CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1cc(C)nc(C)c1 ZINC000219048672 395844485 /nfs/dbraw/zinc/84/44/85/395844485.db2.gz KJJRXPADXFALQF-LXTVHRRPSA-N 0 0 303.362 0.720 50 0 DCAARN CS(=O)(=O)CCN1CCCn2nc([C@@H](O)C3CC3)cc2C1 ZINC000219719057 395846388 /nfs/dbraw/zinc/84/63/88/395846388.db2.gz QVGDEKJTLGCAJO-AWEZNQCLSA-N 0 0 313.423 0.577 50 0 DCAARN O=C(CN1CCN(CCO)CC1)N(Cc1ccccc1)C1CC1 ZINC000051211068 395848246 /nfs/dbraw/zinc/84/82/46/395848246.db2.gz STOUWINIKJMWNY-UHFFFAOYSA-N 0 0 317.433 0.788 50 0 DCAARN Cc1csc(CCCNC(=O)CCn2ccc(=O)[nH]c2=O)n1 ZINC000220403681 395849007 /nfs/dbraw/zinc/84/90/07/395849007.db2.gz OFWOCQOGAYDBLI-UHFFFAOYSA-N 0 0 322.390 0.441 50 0 DCAARN Cc1cc(CN2CCN(C[C@H](O)Cn3cccn3)CC2)no1 ZINC000051254740 395849207 /nfs/dbraw/zinc/84/92/07/395849207.db2.gz VLFCTIOMBABSEC-HNNXBMFYSA-N 0 0 305.382 0.358 50 0 DCAARN Nc1n[nH]c(CCC(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)n1 ZINC000222561455 395852596 /nfs/dbraw/zinc/85/25/96/395852596.db2.gz ORVURHZMIIKSSS-MNOVXSKESA-N 0 0 309.370 0.020 50 0 DCAARN O=C(COc1ccc(-n2cnnn2)cc1)NCc1ccncn1 ZINC000222977890 395853581 /nfs/dbraw/zinc/85/35/81/395853581.db2.gz SXPPCLQCLFJSDC-UHFFFAOYSA-N 0 0 311.305 0.148 50 0 DCAARN O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1cn[nH]n1 ZINC000223104820 395854071 /nfs/dbraw/zinc/85/40/71/395854071.db2.gz GKDIZNHXLJRKRO-CHWSQXEVSA-N 0 0 303.322 0.304 50 0 DCAARN Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(C(=O)C1CCC1)C2 ZINC000223196134 395854271 /nfs/dbraw/zinc/85/42/71/395854271.db2.gz PVSXMJZANOWUEK-AWEZNQCLSA-N 0 0 315.377 0.841 50 0 DCAARN CCOC(=O)CN1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000051764758 395854702 /nfs/dbraw/zinc/85/47/02/395854702.db2.gz NJESQKRSJYZCLP-STQMWFEESA-N 0 0 312.410 0.897 50 0 DCAARN CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)Cc1sc(C)nc1C ZINC000223597993 395855838 /nfs/dbraw/zinc/85/58/38/395855838.db2.gz WTXLMOVTSWEIDC-AQNFWKISSA-N 0 0 323.418 0.711 50 0 DCAARN NC(=O)[C@@H](NC(=O)CN1CCCCCC1=O)c1ccccc1 ZINC000055312186 395917068 /nfs/dbraw/zinc/91/70/68/395917068.db2.gz QQCKAIQTCGGXEV-HNNXBMFYSA-N 0 0 303.362 0.732 50 0 DCAARN CC(C)CC1=NC(=O)C2(CCN(C(=O)c3ccnn3C)CC2)N1 ZINC000055385285 395918183 /nfs/dbraw/zinc/91/81/83/395918183.db2.gz FFAGQJLDALMGBY-UHFFFAOYSA-N 0 0 317.393 0.969 50 0 DCAARN CCc1nnc(SCC(=O)NCc2cc(COC)n[nH]2)[nH]1 ZINC000055393090 395918619 /nfs/dbraw/zinc/91/86/19/395918619.db2.gz UKGQRBCKIUCOHH-UHFFFAOYSA-N 0 0 310.383 0.645 50 0 DCAARN O=C(CCn1ccc(=O)[nH]c1=O)N1CC(Oc2cccnc2)C1 ZINC000238971537 395923087 /nfs/dbraw/zinc/92/30/87/395923087.db2.gz ZLMPNFHVSGOPFI-UHFFFAOYSA-N 0 0 316.317 0.024 50 0 DCAARN COc1ccc([C@H](NC(=O)c2nnc[nH]2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244787813 395925530 /nfs/dbraw/zinc/92/55/30/395925530.db2.gz QECVPSHTDWJNPS-UMNHJUIQSA-N 0 0 303.322 0.450 50 0 DCAARN Cc1cc(C)n(CCC(=O)N2CCN(Cc3nc[nH]n3)CC2)n1 ZINC000244874934 395925877 /nfs/dbraw/zinc/92/58/77/395925877.db2.gz XJVNOHRIJCVJFO-UHFFFAOYSA-N 0 0 317.397 0.353 50 0 DCAARN CCN(CC)S(=O)(=O)NC[C@H](C)N1C[C@H](C)O[C@@H](C)C1 ZINC000229563461 395875798 /nfs/dbraw/zinc/87/57/98/395875798.db2.gz YDZVLMYBGIWPJM-AVGNSLFASA-N 0 0 307.460 0.660 50 0 DCAARN CCc1noc([C@H](C)N2CCC[C@@H](CNS(N)(=O)=O)C2)n1 ZINC000229795438 395876553 /nfs/dbraw/zinc/87/65/53/395876553.db2.gz FGKKNWSUNYYHAX-UWVGGRQHSA-N 0 0 317.415 0.198 50 0 DCAARN CCOC(=O)C1=C(CN2CCO[C@H]3CCCC[C@H]32)NC(=O)NC1 ZINC000230070946 395877726 /nfs/dbraw/zinc/87/77/26/395877726.db2.gz RQCOXIPSWQQPAV-KGLIPLIRSA-N 0 0 323.393 0.760 50 0 DCAARN NC(=O)[C@]1(O)CCN(C(=O)c2cc3ccccc3cc2O)C1 ZINC000276455104 395998908 /nfs/dbraw/zinc/99/89/08/395998908.db2.gz HNKCUTVESKIDJD-INIZCTEOSA-N 0 0 300.314 0.608 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)OC12CCCCC2 ZINC000057355717 395943750 /nfs/dbraw/zinc/94/37/50/395943750.db2.gz LFPIVNOBQOCCDV-WDEREUQCSA-N 0 0 315.391 0.556 50 0 DCAARN COc1ccc(COC[C@H](O)CNC(=O)c2cnccn2)cc1 ZINC000058341197 395952984 /nfs/dbraw/zinc/95/29/84/395952984.db2.gz JUOBJOWKLMSCDQ-CYBMUJFWSA-N 0 0 317.345 0.793 50 0 DCAARN C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1c[nH]c2ncccc12 ZINC000274753783 395973839 /nfs/dbraw/zinc/97/38/39/395973839.db2.gz LZZIBMMWIDUIHL-ZRNGKTOUSA-N 0 0 315.420 0.950 50 0 DCAARN Cc1csc(N2CCN(CCN3C(=O)CNC3=O)C[C@H]2C)n1 ZINC000247981963 395981127 /nfs/dbraw/zinc/98/11/27/395981127.db2.gz XOYWRJPDQMLPLQ-LLVKDONJSA-N 0 0 323.422 0.514 50 0 DCAARN C[C@@H]1CCN(C(=O)NC[C@H](c2cnn(C)c2)N(C)C)[C@@H]1CO ZINC000249036761 396001799 /nfs/dbraw/zinc/00/17/99/396001799.db2.gz CHGQHSNMHPTCSG-MRVWCRGKSA-N 0 0 309.414 0.435 50 0 DCAARN CC(C)C(=O)N[C@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000065212943 395991416 /nfs/dbraw/zinc/99/14/16/395991416.db2.gz PBVUNNRFSLQJQQ-CYBMUJFWSA-N 0 0 304.394 0.891 50 0 DCAARN COCCNC(=O)N[C@@H]1CCN(Cc2ccc(OC)nc2)C1 ZINC000065267399 395991521 /nfs/dbraw/zinc/99/15/21/395991521.db2.gz USQBGZNGWMTUGQ-CYBMUJFWSA-N 0 0 308.382 0.610 50 0 DCAARN CCOCCCNC(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2)C1 ZINC000065313724 395992032 /nfs/dbraw/zinc/99/20/32/395992032.db2.gz BGUZNQRADOHRFF-ZDUSSCGKSA-N 0 0 322.409 0.540 50 0 DCAARN CCNC(=O)N1CCN(c2cnn3c(c2)nnc3CC)CC1 ZINC000065282326 395992190 /nfs/dbraw/zinc/99/21/90/395992190.db2.gz UVGBKSVJMDHZQH-UHFFFAOYSA-N 0 0 303.370 0.538 50 0 DCAARN CCn1nc(C)c(CNC(=O)[C@H](C)NS(C)(=O)=O)c1C ZINC000067178581 396022017 /nfs/dbraw/zinc/02/20/17/396022017.db2.gz JOIGIHXWIHNOBT-VIFPVBQESA-N 0 0 302.400 0.074 50 0 DCAARN C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@H]1CCc3nccn3C1)CS2 ZINC000253370572 396026076 /nfs/dbraw/zinc/02/60/76/396026076.db2.gz SOGIEMALIOTPKM-RWSFTLGLSA-N 0 0 320.418 0.768 50 0 DCAARN CCN1C[C@H](C(=O)Nc2cccc3c2C(=O)N(C)C3=O)CC1=O ZINC000253395373 396026105 /nfs/dbraw/zinc/02/61/05/396026105.db2.gz TZGJGALGAGGBAS-SECBINFHSA-N 0 0 315.329 0.719 50 0 DCAARN COC[C@@H]1CN(S(=O)(=O)c2ccccc2F)C[C@H]1C(N)=O ZINC000253399531 396027196 /nfs/dbraw/zinc/02/71/96/396027196.db2.gz DAFBVTFCZHQAQD-VHSXEESVSA-N 0 0 316.354 0.194 50 0 DCAARN CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1c[nH]c(C(=O)OC)c1 ZINC000253415720 396027888 /nfs/dbraw/zinc/02/78/88/396027888.db2.gz DIAKHINTERWGNU-VIFPVBQESA-N 0 0 316.379 0.697 50 0 DCAARN COC[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@H]1C(N)=O ZINC000253414761 396028192 /nfs/dbraw/zinc/02/81/92/396028192.db2.gz YMYHYUVTTUBMDG-GXTWGEPZSA-N 0 0 306.362 0.444 50 0 DCAARN COc1ncccc1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 ZINC000253426402 396028735 /nfs/dbraw/zinc/02/87/35/396028735.db2.gz GLSATTURPKTRHQ-LLVKDONJSA-N 0 0 301.350 0.832 50 0 DCAARN O=C(CNC(=O)c1ccccc1)N1CC(Nc2ncccn2)C1 ZINC000253472686 396029281 /nfs/dbraw/zinc/02/92/81/396029281.db2.gz OMHGXJIJSAQVMT-UHFFFAOYSA-N 0 0 311.345 0.529 50 0 DCAARN O=c1[nH]ccnc1N1CCN(CCn2cc(Cl)cn2)CC1 ZINC000253537374 396030122 /nfs/dbraw/zinc/03/01/22/396030122.db2.gz SAYHSRZDRODGJB-UHFFFAOYSA-N 0 0 308.773 0.854 50 0 DCAARN Cc1nc2c(c(=O)[nH]1)CCN(CC(=O)Nc1ccn(C)n1)CC2 ZINC000253536476 396030709 /nfs/dbraw/zinc/03/07/09/396030709.db2.gz GLWNDSOXSQNPRZ-UHFFFAOYSA-N 0 0 316.365 0.263 50 0 DCAARN Cc1cc(NCCc2n[nH]c(=O)[n-]2)nc(N2CCCCC2)[nH+]1 ZINC000067672994 396031098 /nfs/dbraw/zinc/03/10/98/396031098.db2.gz GHZZAVHMYXMSQE-UHFFFAOYSA-N 0 0 303.370 0.841 50 0 DCAARN COc1cccc(OCc2cc(C(=O)N[C@@H](C)C(N)=O)[nH]n2)c1 ZINC000067726538 396031768 /nfs/dbraw/zinc/03/17/68/396031768.db2.gz MLPRHLVQGSPIKK-VIFPVBQESA-N 0 0 318.333 0.601 50 0 DCAARN O=C1N(Cc2ccccc2F)CCC[C@]1(O)CN1CC(O)C1 ZINC000067772503 396033111 /nfs/dbraw/zinc/03/31/11/396033111.db2.gz LFTZMNKSDKTYAB-INIZCTEOSA-N 0 0 308.353 0.356 50 0 DCAARN COC(=O)CCN1C(=O)N[C@](C)(c2cccc(C(N)=O)c2)C1=O ZINC000067783349 396033823 /nfs/dbraw/zinc/03/38/23/396033823.db2.gz CMFBGJIYSSXNTI-OAHLLOKOSA-N 0 0 319.317 0.116 50 0 DCAARN CS(=O)(=O)NCCC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000067920173 396038471 /nfs/dbraw/zinc/03/84/71/396038471.db2.gz JTLIDBHYXNDSRX-SNVBAGLBSA-N 0 0 300.384 0.055 50 0 DCAARN Nc1nccc(N2CCCn3nc(C(=O)NC4CC4)cc3C2)n1 ZINC000067966681 396040788 /nfs/dbraw/zinc/04/07/88/396040788.db2.gz WEKBTYVIXCHWHL-UHFFFAOYSA-N 0 0 313.365 0.558 50 0 DCAARN CN(C)c1ncc(NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)cn1 ZINC000154720258 396041369 /nfs/dbraw/zinc/04/13/69/396041369.db2.gz WIFCMAFDDGKOQM-GFCCVEGCSA-N 0 0 318.381 0.818 50 0 DCAARN CCCCCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000069041638 396068875 /nfs/dbraw/zinc/06/88/75/396068875.db2.gz HRMZPIMSCWLSKN-UHFFFAOYSA-N 0 0 319.471 0.985 50 0 DCAARN CCn1ccnc1CN1CCN(CCS(C)(=O)=O)C[C@H]1C ZINC000249693519 396011388 /nfs/dbraw/zinc/01/13/88/396011388.db2.gz OABMIHAUTZXEGW-CYBMUJFWSA-N 0 0 314.455 0.454 50 0 DCAARN O=C(Cc1cccs1)N[C@@H]1CCN(c2cnccn2)C[C@H]1O ZINC000252499114 396021652 /nfs/dbraw/zinc/02/16/52/396021652.db2.gz RVRXGXRNFOVQLB-CHWSQXEVSA-N 0 0 318.402 0.837 50 0 DCAARN COc1nc(N)nc(N)c1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000252495953 396021928 /nfs/dbraw/zinc/02/19/28/396021928.db2.gz PDUWPLCQLAIDPD-UHFFFAOYSA-N 0 0 323.378 0.783 50 0 DCAARN CCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O ZINC000069629576 396085667 /nfs/dbraw/zinc/08/56/67/396085667.db2.gz UDMQTJDMRAWJMF-UHFFFAOYSA-N 0 0 315.329 0.767 50 0 DCAARN O=C(CSc1nc(=O)ccn1C1CC1)NC[C@@H]1CCCO1 ZINC000069657270 396086260 /nfs/dbraw/zinc/08/62/60/396086260.db2.gz ZACCTBNFUKRPJU-NSHDSACASA-N 0 0 309.391 0.966 50 0 DCAARN Cc1nnc2ccc(N3CCN(Cc4cnc(C)cn4)CC3)nn12 ZINC000069697853 396086987 /nfs/dbraw/zinc/08/69/87/396086987.db2.gz QMRAOMBBYPFEBH-UHFFFAOYSA-N 0 0 324.392 0.853 50 0 DCAARN CCOc1ccc(C(=O)COC(=O)CN2CC(=O)NC2=O)cc1 ZINC000069704558 396087948 /nfs/dbraw/zinc/08/79/48/396087948.db2.gz HKHSBOAMYBSPEI-UHFFFAOYSA-N 0 0 320.301 0.363 50 0 DCAARN CCc1nc(NC(=O)CN2CCN(CCO)CC2)sc1C ZINC000069772285 396090114 /nfs/dbraw/zinc/09/01/14/396090114.db2.gz HWSWPQLPACWCPH-UHFFFAOYSA-N 0 0 312.439 0.562 50 0 DCAARN CN(Cc1cccnc1)C1CN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000169784057 396092600 /nfs/dbraw/zinc/09/26/00/396092600.db2.gz JSPYZRUPDFNMHK-UHFFFAOYSA-N 0 0 321.406 0.320 50 0 DCAARN Cc1csc(N2CCN(CCCS(N)(=O)=O)C[C@@H]2C)n1 ZINC000069874804 396093795 /nfs/dbraw/zinc/09/37/95/396093795.db2.gz KCYMWNBRNNIDGL-NSHDSACASA-N 0 0 318.468 0.641 50 0 DCAARN CCS(=O)(=O)CCNC(=O)N[C@@H](CO)Cc1ccccc1 ZINC000069875354 396093877 /nfs/dbraw/zinc/09/38/77/396093877.db2.gz SETAOQRKPQVECI-CYBMUJFWSA-N 0 0 314.407 0.324 50 0 DCAARN Cn1c2ccc(C(=O)N3CCC[C@]34CCOC4=O)cc2[nH]c1=O ZINC000170601341 396095200 /nfs/dbraw/zinc/09/52/00/396095200.db2.gz QQJPXEAFZOXQNO-MRXNPFEDSA-N 0 0 315.329 0.788 50 0 DCAARN Cn1nc(C(C)(C)C)cc1NC(=O)CN1CCN(CCO)CC1 ZINC000069951094 396095918 /nfs/dbraw/zinc/09/59/18/396095918.db2.gz YJWUYVKJEGXSAQ-UHFFFAOYSA-N 0 0 323.441 0.266 50 0 DCAARN CS(=O)(=O)CCCN1C(=O)CN(Cc2ccccc2)C1=O ZINC000170613938 396096319 /nfs/dbraw/zinc/09/63/19/396096319.db2.gz CRXMEKIHZATSBX-UHFFFAOYSA-N 0 0 310.375 0.886 50 0 DCAARN C[C@@H](CNS(=O)(=O)c1cnccc1Cl)N1CCOCC1 ZINC000070040448 396099310 /nfs/dbraw/zinc/09/93/10/396099310.db2.gz NZGUIQMPOQFBNK-JTQLQIEISA-N 0 0 319.814 0.734 50 0 DCAARN COC[C@@]1(C)NC(=O)N(C[C@@H](O)c2ccc(F)c(F)c2)C1=O ZINC000071186319 396111219 /nfs/dbraw/zinc/11/12/19/396111219.db2.gz WKZPGFXVEQZEKR-BXUZGUMPSA-N 0 0 314.288 0.955 50 0 DCAARN C[C@H](NC(N)=O)C(=O)N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000071792353 396114957 /nfs/dbraw/zinc/11/49/57/396114957.db2.gz LVGSKXDTGNWRNO-LBPRGKRZSA-N 0 0 324.425 0.684 50 0 DCAARN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CC[C@H](C(N)=O)C1 ZINC000071815209 396116381 /nfs/dbraw/zinc/11/63/81/396116381.db2.gz QQWBVNWHCZAOET-NSHDSACASA-N 0 0 301.350 0.602 50 0 DCAARN C[C@@H]1CN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)C[C@@H](C)O1 ZINC000071833134 396117733 /nfs/dbraw/zinc/11/77/33/396117733.db2.gz HPFFVDPHRIGPEG-GHMZBOCLSA-N 0 0 311.382 0.733 50 0 DCAARN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cnc2n(c1=O)CCS2 ZINC000071830211 396117944 /nfs/dbraw/zinc/11/79/44/396117944.db2.gz RDXCSXDXKKSYLL-IUCAKERBSA-N 0 0 322.390 0.075 50 0 DCAARN CCCO[C@@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)C1 ZINC000071836886 396117970 /nfs/dbraw/zinc/11/79/70/396117970.db2.gz YHWPVNJJZAXVMX-SNVBAGLBSA-N 0 0 321.381 0.356 50 0 DCAARN CC(C)c1noc(CN2CCN(C(=O)c3cn[nH]n3)CC2)n1 ZINC000071839635 396118402 /nfs/dbraw/zinc/11/84/02/396118402.db2.gz XXAIOJAUVGOSHX-UHFFFAOYSA-N 0 0 305.342 0.269 50 0 DCAARN O=c1[nH]nc(S(=O)(=O)Cc2ccccc2)n1C[C@@H]1CCCO1 ZINC000071857353 396118822 /nfs/dbraw/zinc/11/88/22/396118822.db2.gz OXBODVLMJXEUGD-LBPRGKRZSA-N 0 0 323.374 0.724 50 0 DCAARN CCN1CCN(C(=O)[C@@H](C)N2CCc3cncnc3C2)CC1 ZINC000071859660 396119300 /nfs/dbraw/zinc/11/93/00/396119300.db2.gz XXZMGKMFSADUFL-CYBMUJFWSA-N 0 0 303.410 0.387 50 0 DCAARN C[C@](O)(CN1CCO[C@H](Cn2cncn2)C1)c1ccccc1 ZINC000071876614 396121171 /nfs/dbraw/zinc/12/11/71/396121171.db2.gz DVDMNTXGLFFSEQ-HOTGVXAUSA-N 0 0 302.378 0.887 50 0 DCAARN C[C@@H](O)CN1CCN(CC(=O)N2CCc3ccccc3C2)CC1 ZINC000071877452 396121733 /nfs/dbraw/zinc/12/17/33/396121733.db2.gz YBPWERGIVJMPTA-OAHLLOKOSA-N 0 0 317.433 0.570 50 0 DCAARN COc1cc(C)cc(C(=O)Nc2cnn(CC(N)=O)c2)c1O ZINC000071882440 396122482 /nfs/dbraw/zinc/12/24/82/396122482.db2.gz RMOJFBUNAVUIQW-UHFFFAOYSA-N 0 0 304.306 0.643 50 0 DCAARN CC(C)C[C@H](CNC(=O)[C@@H]1CCOC1)NC(=O)[C@@H]1CCOC1 ZINC000071893507 396123582 /nfs/dbraw/zinc/12/35/82/396123582.db2.gz HWFDGSUOTKMRMZ-MGPQQGTHSA-N 0 0 312.410 0.707 50 0 DCAARN C[C@H]1CCCN(c2ccc(C(=O)N3CCNC(=O)C3)cn2)C1 ZINC000071902367 396124562 /nfs/dbraw/zinc/12/45/62/396124562.db2.gz XGJYRBLVZXQRRO-LBPRGKRZSA-N 0 0 302.378 0.890 50 0 DCAARN CC[C@H](C)C(=O)NCC(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000071911393 396124582 /nfs/dbraw/zinc/12/45/82/396124582.db2.gz DBXQSJZXYJYYSQ-JTQLQIEISA-N 0 0 313.398 0.884 50 0 DCAARN COCc1ccccc1CNC(=O)CN1CCC[C@H]1C(N)=O ZINC000071904304 396124653 /nfs/dbraw/zinc/12/46/53/396124653.db2.gz RXMDXSWDBQTJCR-AWEZNQCLSA-N 0 0 305.378 0.399 50 0 DCAARN CC[C@@H](C)NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000071921709 396125498 /nfs/dbraw/zinc/12/54/98/396125498.db2.gz QQXVCQSIIWUOEL-LLVKDONJSA-N 0 0 313.398 0.980 50 0 DCAARN Cc1nc(C)n([C@H]2CCCN(C(=O)CN3CCCNC3=O)C2)n1 ZINC000072235415 396127359 /nfs/dbraw/zinc/12/73/59/396127359.db2.gz LYZLIGMADMESNQ-ZDUSSCGKSA-N 0 0 320.397 0.474 50 0 DCAARN NC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](n3cncn3)C2)C1 ZINC000072234745 396127428 /nfs/dbraw/zinc/12/74/28/396127428.db2.gz FWMJLUYYWBHAQY-NWDGAFQWSA-N 0 0 306.370 0.232 50 0 DCAARN COc1ncccc1C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000072269400 396128751 /nfs/dbraw/zinc/12/87/51/396128751.db2.gz VFHDRHREPOGCFA-ZIAGYGMSSA-N 0 0 305.378 0.761 50 0 DCAARN O=C(Cn1cnnn1)Nc1nc(-c2ccc(F)cc2)ns1 ZINC000072281458 396130038 /nfs/dbraw/zinc/13/00/38/396130038.db2.gz RVFKJFXFUGRWGD-UHFFFAOYSA-N 0 0 305.298 0.969 50 0 DCAARN CC(C)Cc1noc(CN(CCO)CCN2CCOCC2)n1 ZINC000072313460 396131621 /nfs/dbraw/zinc/13/16/21/396131621.db2.gz AGGBKTOYSWHLAQ-UHFFFAOYSA-N 0 0 312.414 0.395 50 0 DCAARN CCN(CC(=O)NC(C)C)C(=O)c1cccc(-n2cnnn2)c1 ZINC000069294495 396074749 /nfs/dbraw/zinc/07/47/49/396074749.db2.gz TZLKWUFZAFLIQE-UHFFFAOYSA-N 0 0 316.365 0.649 50 0 DCAARN CS(=O)(=O)CCCNC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000069368602 396075972 /nfs/dbraw/zinc/07/59/72/396075972.db2.gz RFZXDKWZGRIMCM-GQCTYLIASA-N 0 0 311.359 0.979 50 0 DCAARN CCNC(=O)CN1CCN(CC[S@@](=O)c2ccccc2)CC1 ZINC000069433315 396077890 /nfs/dbraw/zinc/07/78/90/396077890.db2.gz HURBWPNVUUCOPJ-QFIPXVFZSA-N 0 0 323.462 0.548 50 0 DCAARN C[C@H](c1nc(C2CC2)no1)N1CCN([C@H]2CCOC2=O)CC1 ZINC000069418627 396077957 /nfs/dbraw/zinc/07/79/57/396077957.db2.gz BTCGNRKSRLVKIS-PWSUYJOCSA-N 0 0 306.366 0.941 50 0 DCAARN CCc1nc(CCNS(=O)(=O)N2CCOCC2)sc1C ZINC000069444530 396078778 /nfs/dbraw/zinc/07/87/78/396078778.db2.gz TYRUKUYSLZHBKK-UHFFFAOYSA-N 0 0 319.452 0.723 50 0 DCAARN CNC(=O)NC(=O)CN(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000069518700 396080962 /nfs/dbraw/zinc/08/09/62/396080962.db2.gz GGCPZSBXCKWZMH-ZDUSSCGKSA-N 0 0 306.366 0.518 50 0 DCAARN Cc1nccn1[C@H]1CCCN(C(=O)CN2CSCC2=O)C1 ZINC000069620323 396084495 /nfs/dbraw/zinc/08/44/95/396084495.db2.gz RCMYUNILARZJTB-LBPRGKRZSA-N 0 0 308.407 0.888 50 0 DCAARN c1ncn(C[C@H]2CCCN2Cc2nnnn2-c2ccccc2)n1 ZINC000069601091 396084727 /nfs/dbraw/zinc/08/47/27/396084727.db2.gz CSKAEMBBMGXSIF-CQSZACIVSA-N 0 0 310.365 0.918 50 0 DCAARN NC(=O)NC(=O)CCNC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000176774413 396160589 /nfs/dbraw/zinc/16/05/89/396160589.db2.gz MTOIZMFEFXCMQE-LRDDRELGSA-N 0 0 301.346 0.592 50 0 DCAARN Cn1c(CNc2cc(Cl)ccc2C(N)=O)cc(=O)n(C)c1=O ZINC000075094690 396175645 /nfs/dbraw/zinc/17/56/45/396175645.db2.gz NTLSZVWKLXBDCT-UHFFFAOYSA-N 0 0 322.752 0.448 50 0 DCAARN Cc1ccc(C(=O)NCc2ccc(-n3cncn3)nc2)c(=O)[nH]1 ZINC000075120010 396176568 /nfs/dbraw/zinc/17/65/68/396176568.db2.gz CSBWXUAYCQHXHI-UHFFFAOYSA-N 0 0 310.317 0.589 50 0 DCAARN Cn1cc(C(=O)CCC(=O)N[C@H]2CCCC[C@H]2C(N)=O)cn1 ZINC000279840416 396188007 /nfs/dbraw/zinc/18/80/07/396188007.db2.gz JNHAIZXPLIHATG-NEPJUHHUSA-N 0 0 306.366 0.543 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)C[C@@H]1N1CCOCC1 ZINC000076052508 396195135 /nfs/dbraw/zinc/19/51/35/396195135.db2.gz CPDDEVQMVJGBTP-MIGQKNRLSA-N 0 0 318.421 0.703 50 0 DCAARN Cn1ccnc1N1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000076084319 396195701 /nfs/dbraw/zinc/19/57/01/396195701.db2.gz INUHWIRJJJGXAG-UHFFFAOYSA-N 0 0 314.393 0.984 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCc3nn(C)c(=O)cc3C2)no1 ZINC000076064682 396195807 /nfs/dbraw/zinc/19/58/07/396195807.db2.gz UNONDPAZUKPWIV-JTQLQIEISA-N 0 0 317.349 0.462 50 0 DCAARN CS(=O)(=O)CCC(=O)N1CCN(Cc2cccnc2)CC1 ZINC000076176081 396197311 /nfs/dbraw/zinc/19/73/11/396197311.db2.gz RMWLMQDCZVBRJT-UHFFFAOYSA-N 0 0 311.407 0.161 50 0 DCAARN CCOc1ccc(Cl)c(C(=O)N2CCN(CCO)CC2)n1 ZINC000078680275 396251912 /nfs/dbraw/zinc/25/19/12/396251912.db2.gz HGMGQDUOIDXGJI-UHFFFAOYSA-N 0 0 313.785 0.884 50 0 DCAARN CN1C[C@@H](C(=O)N2CCC(OCc3cccnc3)CC2)NC1=O ZINC000077299454 396218924 /nfs/dbraw/zinc/21/89/24/396218924.db2.gz HQCXLAOOYYUHDY-AWEZNQCLSA-N 0 0 318.377 0.613 50 0 DCAARN CCOC(=O)C[C@H]1CCCCN1C(=O)Cn1cccnc1=O ZINC000077423132 396222524 /nfs/dbraw/zinc/22/25/24/396222524.db2.gz ZPLXQDNCOCWUCH-GFCCVEGCSA-N 0 0 307.350 0.578 50 0 DCAARN Cn1cc(CN2CCN(CC(N)=O)CC2)c(-c2ccncc2)n1 ZINC000179837073 396229836 /nfs/dbraw/zinc/22/98/36/396229836.db2.gz BWEIZOPRWZRHFM-UHFFFAOYSA-N 0 0 314.393 0.085 50 0 DCAARN COC(=O)[C@H]1N[C@H](c2ccccc2C)[C@H]2C(=O)N(C)C(=O)[C@@H]12 ZINC000526056021 396531751 /nfs/dbraw/zinc/53/17/51/396531751.db2.gz CGOWJTYBIFYYIV-LOWDOPEQSA-N 0 0 302.330 0.412 50 0 DCAARN Cn1nc(C(=O)NCc2[nH]nc3c2CCCCC3)ccc1=O ZINC000584885928 396632537 /nfs/dbraw/zinc/63/25/37/396632537.db2.gz RVNRVPFVSJOSNI-UHFFFAOYSA-N 0 0 301.350 0.702 50 0 DCAARN CCCOC[C@@H]1CCN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)C1 ZINC000584892614 396634134 /nfs/dbraw/zinc/63/41/34/396634134.db2.gz AHUAOEOCMRXAFG-GFCCVEGCSA-N 0 0 309.366 0.532 50 0 DCAARN O=C([C@H]1CCC(=O)NC(=O)N1)N1CCOc2ccccc2C1 ZINC000584896257 396634615 /nfs/dbraw/zinc/63/46/15/396634615.db2.gz OIAFZLFIOXWBLF-LLVKDONJSA-N 0 0 303.318 0.396 50 0 DCAARN COCCCn1cnnc1Cn1cnc2cccnc2c1=O ZINC000584895877 396634878 /nfs/dbraw/zinc/63/48/78/396634878.db2.gz CRYNOIOQYTVNJX-UHFFFAOYSA-N 0 0 300.322 0.468 50 0 DCAARN Cc1cccc(C[C@H](C)NC(=O)CSc2nnnn2C)n1 ZINC000584902155 396637187 /nfs/dbraw/zinc/63/71/87/396637187.db2.gz SSJZVVAOFJKJLC-JTQLQIEISA-N 0 0 306.395 0.753 50 0 DCAARN O=C(NCCc1ccc(F)cc1)NCCn1cnccc1=O ZINC000585138637 396641206 /nfs/dbraw/zinc/64/12/06/396641206.db2.gz UYIRUFLEDWYPKY-UHFFFAOYSA-N 0 0 304.325 0.924 50 0 DCAARN CCc1nnc([C@H]2CN(CC(=O)NC[C@H]3CCCO3)CCO2)[nH]1 ZINC000299754271 396714448 /nfs/dbraw/zinc/71/44/48/396714448.db2.gz XBSPJVDFWVMMQH-VXGBXAGGSA-N 0 0 323.397 0.036 50 0 DCAARN Cn1nccc1C(=O)NCC1CCN(c2ncccn2)CC1 ZINC000375467617 396751294 /nfs/dbraw/zinc/75/12/94/396751294.db2.gz IKWVDEBMQVBACI-UHFFFAOYSA-N 0 0 300.366 0.857 50 0 DCAARN O=C([C@@H]1COCCO1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000071821278 304373430 /nfs/dbraw/zinc/37/34/30/304373430.db2.gz YHZOAKPEPATMTQ-KGLIPLIRSA-N 0 0 304.346 0.492 50 0 DCAARN COc1ccc(N2C(=O)CS[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000005010684 286323746 /nfs/dbraw/zinc/32/37/46/286323746.db2.gz HQLDWLJJXXBRRN-RYUDHWBXSA-N 0 0 313.400 0.941 50 0 DCAARN CS(=O)(=O)C1(C(=O)N2CC[C@@H](OCc3ccncc3)C2)CC1 ZINC000329646427 159108944 /nfs/dbraw/zinc/10/89/44/159108944.db2.gz BABPKFLLZIHCEX-CYBMUJFWSA-N 0 0 324.402 0.776 50 0 DCAARN Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000366985030 159303020 /nfs/dbraw/zinc/30/30/20/159303020.db2.gz ZOGKQCKTBACZAG-LLVKDONJSA-N 0 0 318.377 0.537 50 0 DCAARN O=C(c1cc(-c2ccco2)n[nH]1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000376390542 159854803 /nfs/dbraw/zinc/85/48/03/159854803.db2.gz DJLVYWBDPZNUTI-TVQRCGJNSA-N 0 0 321.358 0.929 50 0 DCAARN CCN(CC)S(=O)(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000408169292 160051730 /nfs/dbraw/zinc/05/17/30/160051730.db2.gz MRTLANAKDLSSRH-NEPJUHHUSA-N 0 0 305.444 0.810 50 0 DCAARN CCN(CC)S(=O)(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000408169294 160051754 /nfs/dbraw/zinc/05/17/54/160051754.db2.gz MRTLANAKDLSSRH-RYUDHWBXSA-N 0 0 305.444 0.810 50 0 DCAARN O=C([C@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CCc2n[nH]cc2C1 ZINC000408022815 304451511 /nfs/dbraw/zinc/45/15/11/304451511.db2.gz VNOZLNUIBIYPOF-WPRPVWTQSA-N 0 0 316.283 0.752 50 0 DCAARN C[C@H]1C(=O)N(C)CCN1C(=O)c1cc(N2CCCC2)ccn1 ZINC000192577618 287059142 /nfs/dbraw/zinc/05/91/42/287059142.db2.gz MFJKRTLOTNWLHU-LBPRGKRZSA-N 0 0 302.378 0.985 50 0 DCAARN COC(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)NC2=O)cc1 ZINC000012728722 415149611 /nfs/dbraw/zinc/14/96/11/415149611.db2.gz AKFATPOJDQRWON-JTQLQIEISA-N 0 0 305.290 0.400 50 0 DCAARN Cc1ccoc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000025208130 415160784 /nfs/dbraw/zinc/16/07/84/415160784.db2.gz ZWJHGQFSZOPNLN-UHFFFAOYSA-N 0 0 301.368 0.152 50 0 DCAARN Cc1nnc(COC(=O)c2cc(S(N)(=O)=O)ccc2F)o1 ZINC000025446795 415161221 /nfs/dbraw/zinc/16/12/21/415161221.db2.gz WTNYMBDXHPMXCT-UHFFFAOYSA-N 0 0 315.282 0.522 50 0 DCAARN C[C@H](NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C1CC1 ZINC000025595850 415163167 /nfs/dbraw/zinc/16/31/67/415163167.db2.gz ZDPPFDSSTIWFQV-JTQLQIEISA-N 0 0 315.381 0.650 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@]2(C)NN1 ZINC000000081714 415125662 /nfs/dbraw/zinc/12/56/62/415125662.db2.gz YBIPHAVVFCMZLI-BZNIZROVSA-N 0 0 315.329 0.684 50 0 DCAARN NC(=O)c1cc(N2C(=O)CCC2=O)ccc1N1CCOCC1 ZINC000000457945 415125766 /nfs/dbraw/zinc/12/57/66/415125766.db2.gz CYAVJZBHKJGVJN-UHFFFAOYSA-N 0 0 303.318 0.276 50 0 DCAARN CCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000005147980 415132925 /nfs/dbraw/zinc/13/29/25/415132925.db2.gz RHJDQTAPUSSODC-VIFPVBQESA-N 0 0 304.354 0.601 50 0 DCAARN CCCn1c(N)c(C(=O)CSc2ncccn2)c(=O)[nH]c1=O ZINC000006913308 415134011 /nfs/dbraw/zinc/13/40/11/415134011.db2.gz WYZMTUUZWVIHGG-UHFFFAOYSA-N 0 0 321.362 0.294 50 0 DCAARN COCCCn1c(=O)[nH]nc1SCC(=O)NC1CCCC1 ZINC000007348512 415136580 /nfs/dbraw/zinc/13/65/80/415136580.db2.gz DRVICEOXOXYYOH-UHFFFAOYSA-N 0 0 314.411 0.759 50 0 DCAARN NS(=O)(=O)c1cccc(NC(=O)CSc2nc[nH]n2)c1 ZINC000007141309 415137831 /nfs/dbraw/zinc/13/78/31/415137831.db2.gz XAGRJZVDYDPGQE-UHFFFAOYSA-N 0 0 313.364 0.183 50 0 DCAARN CCNC(=O)CNC(=O)CSc1nc2ccccc2n1C ZINC000007154073 415137974 /nfs/dbraw/zinc/13/79/74/415137974.db2.gz JVZJAANWTWKIRG-UHFFFAOYSA-N 0 0 306.391 0.918 50 0 DCAARN CCOCC(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2 ZINC000007422496 415141234 /nfs/dbraw/zinc/14/12/34/415141234.db2.gz OPAZFWRRARUBBQ-UHFFFAOYSA-N 0 0 317.349 0.728 50 0 DCAARN Cn1cccc1C(=O)NC(=O)CSc1nnnn1C1CC1 ZINC000008313808 415144342 /nfs/dbraw/zinc/14/43/42/415144342.db2.gz URDIGNUDDWCUTB-UHFFFAOYSA-N 0 0 306.351 0.395 50 0 DCAARN COC[C@H](C)NC(=O)CNc1cccc(S(C)(=O)=O)c1 ZINC000025699294 415166421 /nfs/dbraw/zinc/16/64/21/415166421.db2.gz CITALGGKGAZMOB-JTQLQIEISA-N 0 0 300.380 0.653 50 0 DCAARN C[C@@H]1Cc2c(NC(=O)c3cccn(C)c3=O)nn(C)c2NC1=O ZINC000044213409 415219529 /nfs/dbraw/zinc/21/95/29/415219529.db2.gz YNTAKFGKVSNLLT-MRVPVSSYSA-N 0 0 315.333 0.502 50 0 DCAARN CN(CCOc1ccc(Br)cc1)S(N)(=O)=O ZINC000044907568 415232459 /nfs/dbraw/zinc/23/24/59/415232459.db2.gz DZTRVARXSMJVII-UHFFFAOYSA-N 0 0 309.185 0.963 50 0 DCAARN C[C@@H](Cc1ccco1)NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000044970320 415237413 /nfs/dbraw/zinc/23/74/13/415237413.db2.gz HKAGUWDNAFXFNT-NSHDSACASA-N 0 0 315.395 0.497 50 0 DCAARN C[C@@H](CNC(=O)NCCc1cnn(C)c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000044971171 415238787 /nfs/dbraw/zinc/23/87/87/415238787.db2.gz ZWOSCXNMWZCCPZ-BFHYXJOUSA-N 0 0 323.441 0.760 50 0 DCAARN CC(C)Cc1noc(CN2CCC(C(=O)NC[C@H](C)O)CC2)n1 ZINC000044951026 415239030 /nfs/dbraw/zinc/23/90/30/415239030.db2.gz POXZPTPMZSZUDE-LBPRGKRZSA-N 0 0 324.425 0.977 50 0 DCAARN COc1ccc(NC(=O)CN(C)c2ncnc3nc[nH]c32)cn1 ZINC000045978380 415254894 /nfs/dbraw/zinc/25/48/94/415254894.db2.gz MZBIFOQRNVQLOT-UHFFFAOYSA-N 0 0 313.321 0.831 50 0 DCAARN COCCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1cccnc1 ZINC000045896173 415255183 /nfs/dbraw/zinc/25/51/83/415255183.db2.gz MUFMLBXQUCEDCP-GFCCVEGCSA-N 0 0 316.321 0.547 50 0 DCAARN O=C(NCCCN1CCOCC1)c1nnc2ccccc2n1 ZINC000046088199 415256866 /nfs/dbraw/zinc/25/68/66/415256866.db2.gz NWKIVQWAPBTEMP-UHFFFAOYSA-N 0 0 301.350 0.477 50 0 DCAARN C[C@@H](NC(=O)NC[C@@H](O)COc1ccccc1)c1nncn1C ZINC000046963171 415262881 /nfs/dbraw/zinc/26/28/81/415262881.db2.gz VAZFPDPJCRIFGM-VXGBXAGGSA-N 0 0 319.365 0.615 50 0 DCAARN O=C(Nc1ccc(N2CCOCC2)cn1)c1cccc[n+]1[O-] ZINC000047297597 415270542 /nfs/dbraw/zinc/27/05/42/415270542.db2.gz UUUNKPIUZSNHFA-UHFFFAOYSA-N 0 0 300.318 0.804 50 0 DCAARN CC(C)(C)C(=O)N1CCC(C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000047530766 415274157 /nfs/dbraw/zinc/27/41/57/415274157.db2.gz MKOJMYGOWCNVMK-CYBMUJFWSA-N 0 0 323.437 0.995 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCO2 ZINC000044717854 415225165 /nfs/dbraw/zinc/22/51/65/415225165.db2.gz WGVBAYKYPVTXLG-SNVBAGLBSA-N 0 0 311.359 0.622 50 0 DCAARN COc1ccc(CN(C)Cc2cc(=O)n(C)c(=O)n2C)cc1F ZINC000044892730 415228089 /nfs/dbraw/zinc/22/80/89/415228089.db2.gz NPLXMTXQERKTMO-UHFFFAOYSA-N 0 0 321.352 0.864 50 0 DCAARN NC(=O)N1CCC[C@H](C(=O)NCCc2ccc3c(c2)OCO3)C1 ZINC000044872667 415229947 /nfs/dbraw/zinc/22/99/47/415229947.db2.gz WGZOMKBQFCFJFH-LBPRGKRZSA-N 0 0 319.361 0.865 50 0 DCAARN Cc1c(C(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cnn1C ZINC000044911377 415231798 /nfs/dbraw/zinc/23/17/98/415231798.db2.gz BQAPPMPZAQYJIW-ZFWWWQNUSA-N 0 0 322.409 0.196 50 0 DCAARN Cc1cc(C)n(CC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000048353992 415292810 /nfs/dbraw/zinc/29/28/10/415292810.db2.gz RBQMJVFSJMHFAO-GFCCVEGCSA-N 0 0 314.411 0.040 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)CCNCc2ccccn2)C[C@@H](C)O1 ZINC000048783554 415300228 /nfs/dbraw/zinc/30/02/28/415300228.db2.gz JNEDAPCZSZVOSQ-CHWSQXEVSA-N 0 0 313.423 0.610 50 0 DCAARN CC1CCN(S(=O)(=O)c2ccc3nn(C)c(=O)n3c2)CC1 ZINC000049407923 415307126 /nfs/dbraw/zinc/30/71/26/415307126.db2.gz DIOPAZXRPQHLMW-UHFFFAOYSA-N 0 0 310.379 0.454 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)CCCc2nc3ccccc3[nH]2)CCO1 ZINC000050854604 415314107 /nfs/dbraw/zinc/31/41/07/415314107.db2.gz KBXTWUGFNDOYHU-ZDUSSCGKSA-N 0 0 316.361 0.598 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)Sc1nnc(N(C)C)n1C(C)C ZINC000069618349 415398396 /nfs/dbraw/zinc/39/83/96/415398396.db2.gz XUFXWKOTZOBMSJ-MRVPVSSYSA-N 0 0 314.415 0.861 50 0 DCAARN C[C@]12CCC(=O)N1[C@H](C(=O)OCCNc1ncccn1)CS2 ZINC000069590844 415399636 /nfs/dbraw/zinc/39/96/36/415399636.db2.gz YOJJOUMKRQSUOK-HZMBPMFUSA-N 0 0 322.390 0.886 50 0 DCAARN CCn1c(CC2CCN(C(=O)c3cc(C)n[nH]3)CC2)n[nH]c1=O ZINC000071422212 415407681 /nfs/dbraw/zinc/40/76/81/415407681.db2.gz GYJUSYQEVJEEJY-UHFFFAOYSA-N 0 0 318.381 0.718 50 0 DCAARN C[C@@H](OCc1ccccc1)C(=O)N1CCCN(CC(N)=O)CC1 ZINC000071829307 415410911 /nfs/dbraw/zinc/41/09/11/415410911.db2.gz SSNSRUQECGZWAP-CQSZACIVSA-N 0 0 319.405 0.611 50 0 DCAARN CC[C@H](C)[C@H](NC(=O)c1ccc(-n2cnnc2)cc1)C(N)=O ZINC000066592571 415364005 /nfs/dbraw/zinc/36/40/05/415364005.db2.gz NBOVZXLUCRMGFG-GWCFXTLKSA-N 0 0 301.350 0.897 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000067139618 415374163 /nfs/dbraw/zinc/37/41/63/415374163.db2.gz AINSWYTVLXYPBN-NSHDSACASA-N 0 0 313.398 0.980 50 0 DCAARN COc1ccccc1-n1ccn(CC(=O)NC(C)C)c(=O)c1=O ZINC000067256384 415375315 /nfs/dbraw/zinc/37/53/15/415375315.db2.gz JLFYDOSJPAYXGD-UHFFFAOYSA-N 0 0 317.345 0.532 50 0 DCAARN CCc1c[nH]nc1C1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1 ZINC000067868547 415389774 /nfs/dbraw/zinc/38/97/74/415389774.db2.gz DNUCGEYLCNFCOU-UHFFFAOYSA-N 0 0 317.349 0.781 50 0 DCAARN CC(=O)NCC[C@H]1CCCCN1C(=O)CCc1nnc(C)[nH]1 ZINC000082096230 415488859 /nfs/dbraw/zinc/48/88/59/415488859.db2.gz BHRWKYFOEVLKOF-CYBMUJFWSA-N 0 0 307.398 0.953 50 0 DCAARN Cc1c(C[NH+]2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)cnn1C ZINC000095370935 415555016 /nfs/dbraw/zinc/55/50/16/415555016.db2.gz UUPVPIUYUJWGFO-ZDUSSCGKSA-N 0 0 320.393 0.626 50 0 DCAARN Cc1cc(C)c2c(ncnc2NCCCN2CCNC(=O)C2)n1 ZINC000095371065 415555531 /nfs/dbraw/zinc/55/55/31/415555531.db2.gz GYLYAELMVWGHED-UHFFFAOYSA-N 0 0 314.393 0.875 50 0 DCAARN O=C(N[C@@H]1CCCCNC1=O)c1coc(CN2CCOCC2)c1 ZINC000095378113 415558551 /nfs/dbraw/zinc/55/85/51/415558551.db2.gz UBVSIKJUFALLTL-CQSZACIVSA-N 0 0 321.377 0.510 50 0 DCAARN COC(=O)[C@H](NC(=O)c1cccc(-n2cccn2)c1)[C@H](C)O ZINC000095945606 415563794 /nfs/dbraw/zinc/56/37/94/415563794.db2.gz SJCBNVHPZLZNTO-GXFFZTMASA-N 0 0 303.318 0.525 50 0 DCAARN CN(C)C(=O)CN([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000095977257 415568040 /nfs/dbraw/zinc/56/80/40/415568040.db2.gz INKKLPUNJNRTJF-ZDUSSCGKSA-N 0 0 302.440 0.896 50 0 DCAARN Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)c1cn(C)cn1 ZINC000095961888 415569112 /nfs/dbraw/zinc/56/91/12/415569112.db2.gz FSPRLAZCQQTYRJ-VIFPVBQESA-N 0 0 311.411 0.680 50 0 DCAARN Cn1cc(N2CCN(C(=O)[C@@H](N)c3ccccc3)CC2=O)cn1 ZINC000095971142 415569841 /nfs/dbraw/zinc/56/98/41/415569841.db2.gz DWYYPJQZZSNIEV-HNNXBMFYSA-N 0 0 313.361 0.295 50 0 DCAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000095967369 415570112 /nfs/dbraw/zinc/57/01/12/415570112.db2.gz PJHADRCTVVQZEI-UTUOFQBUSA-N 0 0 324.468 0.376 50 0 DCAARN Cn1cnc(S(=O)(=O)NC[C@@](C)(O)c2cccs2)c1 ZINC000096025991 415571416 /nfs/dbraw/zinc/57/14/16/415571416.db2.gz DETNCNMYELTVPP-LLVKDONJSA-N 0 0 301.393 0.668 50 0 DCAARN CNC(=O)CN(C)[C@@H]1CC(=O)N(CCc2ccccc2)C1=O ZINC000102815172 415601052 /nfs/dbraw/zinc/60/10/52/415601052.db2.gz BYUMHZITERVKQA-CYBMUJFWSA-N 0 0 303.362 0.034 50 0 DCAARN Cc1nc(CN2CCCN(CC(=O)N[C@H](C)C3CC3)CC2)no1 ZINC000106869375 415651527 /nfs/dbraw/zinc/65/15/27/415651527.db2.gz WCJRRMJFVZIZQD-GFCCVEGCSA-N 0 0 321.425 0.800 50 0 DCAARN CC[C@H]1CN(Cc2nnc(C3CC3)n2C)CC[N@@H+]1C[C@H](C)O ZINC000106841118 415649647 /nfs/dbraw/zinc/64/96/47/415649647.db2.gz MQHLPVFJGXJCBB-JSGCOSHPSA-N 0 0 307.442 0.970 50 0 DCAARN O=C(Cc1noc2ccccc12)NCCNC(=O)c1ccn[nH]1 ZINC000097079923 415581544 /nfs/dbraw/zinc/58/15/44/415581544.db2.gz GDNBMZRDCQCGRX-UHFFFAOYSA-N 0 0 313.317 0.640 50 0 DCAARN NC(=O)c1ccc(N2CCN(C[C@H](O)C(F)(F)F)CC2)cc1 ZINC000097141611 415588337 /nfs/dbraw/zinc/58/83/37/415588337.db2.gz RZNGIUQCHSUYLW-LBPRGKRZSA-N 0 0 317.311 0.831 50 0 DCAARN Cn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3CCOC3(C)C)cnc21 ZINC000296415440 415927090 /nfs/dbraw/zinc/92/70/90/415927090.db2.gz XKWUFPWXHGQWLX-SNVBAGLBSA-N 0 0 318.333 0.331 50 0 DCAARN Cc1ccc(C)c(CC(=O)N2CC[C@H](CS(N)(=O)=O)C2)c1 ZINC000299759260 416063608 /nfs/dbraw/zinc/06/36/08/416063608.db2.gz DWOREYLKSZBZRG-ZDUSSCGKSA-N 0 0 310.419 0.983 50 0 DCAARN Cc1cccc([C@H](NC(=O)CCNS(C)(=O)=O)C2CC2)n1 ZINC000299761891 416064144 /nfs/dbraw/zinc/06/41/44/416064144.db2.gz YVWUIKNDYYPYDK-CQSZACIVSA-N 0 0 311.407 0.897 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299770427 416065277 /nfs/dbraw/zinc/06/52/77/416065277.db2.gz VOKGGKARNFDPHK-KBPBESRZSA-N 0 0 317.349 0.798 50 0 DCAARN CC[C@@H](C)n1nccc1NC(=O)NCc1nc(C(=O)NC)no1 ZINC000299767208 416065449 /nfs/dbraw/zinc/06/54/49/416065449.db2.gz PGSNHVWMMFGFTB-MRVPVSSYSA-N 0 0 321.341 0.918 50 0 DCAARN COc1ccc(C(=O)N2CCN(c3nc[nH]n3)CC2)c(OC)n1 ZINC000299782646 416067943 /nfs/dbraw/zinc/06/79/43/416067943.db2.gz UCHFTZDEYWUDQO-UHFFFAOYSA-N 0 0 318.337 0.179 50 0 DCAARN CCN1CCNC(=O)[C@H]1CC(=O)NCCc1scnc1C ZINC000299775488 416068378 /nfs/dbraw/zinc/06/83/78/416068378.db2.gz KBVGVJTXJLKAQE-LLVKDONJSA-N 0 0 310.423 0.321 50 0 DCAARN COCCN1C[C@H](CN(C)Cc2nc(C3CC3)no2)CC1=O ZINC000299787106 416068701 /nfs/dbraw/zinc/06/87/01/416068701.db2.gz VGLRUQQPULNLPL-NSHDSACASA-N 0 0 308.382 0.874 50 0 DCAARN O=C(CCn1cccn1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299787997 416069662 /nfs/dbraw/zinc/06/96/62/416069662.db2.gz ZRYQPAQNIMTLCJ-QWHCGFSZSA-N 0 0 302.338 0.237 50 0 DCAARN COCCc1noc(CN2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)n1 ZINC000299791187 416070316 /nfs/dbraw/zinc/07/03/16/416070316.db2.gz CNCRMJSNKVTDRW-TYNCELHUSA-N 0 0 311.382 0.763 50 0 DCAARN Cn1c(CCNC(=O)CN2CCC[C@H](O)C2)nc2ccccc21 ZINC000299796298 416071330 /nfs/dbraw/zinc/07/13/30/416071330.db2.gz PDJVRFTXZSIQKP-ZDUSSCGKSA-N 0 0 316.405 0.689 50 0 DCAARN COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(OC)c(OC)c2)CN1 ZINC000299798493 416071585 /nfs/dbraw/zinc/07/15/85/416071585.db2.gz QSSHCQOYSYSZHB-QWRGUYRKSA-N 0 0 308.334 0.337 50 0 DCAARN O=C(NCc1ccc(-c2ncon2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000299799362 416071599 /nfs/dbraw/zinc/07/15/99/416071599.db2.gz RDGOBQKUOQMENB-GFCCVEGCSA-N 0 0 321.358 0.788 50 0 DCAARN COCCn1cncc1CNC(=O)c1c(C)cc(C)n(C)c1=O ZINC000299799193 416071771 /nfs/dbraw/zinc/07/17/71/416071771.db2.gz PWEJFHBRYMJINU-UHFFFAOYSA-N 0 0 318.377 0.775 50 0 DCAARN C[C@H](NC(=O)c1cc(=O)[nH]c(N(C)C)n1)C(=O)NC(C)(C)C ZINC000170596515 416027232 /nfs/dbraw/zinc/02/72/32/416027232.db2.gz NPPYEDCNUSPQRS-QMMMGPOBSA-N 0 0 309.370 0.281 50 0 DCAARN CNS(=O)(=O)c1ccc(CC(=O)OCC2(C)COC2)cc1 ZINC000170595210 416027752 /nfs/dbraw/zinc/02/77/52/416027752.db2.gz UIHUIPIRLAODRK-UHFFFAOYSA-N 0 0 313.375 0.717 50 0 DCAARN CNS(=O)(=O)c1ccc(N(C)[C@H](CO)CC(C)C)nc1 ZINC000185875461 416255207 /nfs/dbraw/zinc/25/52/07/416255207.db2.gz SGTGUHUKUNHIBG-NSHDSACASA-N 0 0 301.412 0.833 50 0 DCAARN CCCN(C(=O)c1cncc(OC)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000331092302 416263224 /nfs/dbraw/zinc/26/32/24/416263224.db2.gz XGQIXZTXMHQWGB-SNVBAGLBSA-N 0 0 313.379 0.525 50 0 DCAARN CO[C@@H]1C[C@@H]2C(=O)N([C@H]3CC(=O)N(C(C)(C)C)C3)C(=O)N2C1 ZINC000253432520 416334705 /nfs/dbraw/zinc/33/47/05/416334705.db2.gz KWADENYROKUUKK-HBNTYKKESA-N 0 0 309.366 0.437 50 0 DCAARN CCn1ncnc1CN1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000215658033 416327281 /nfs/dbraw/zinc/32/72/81/416327281.db2.gz BPSYIQBLWPFFNM-UHFFFAOYSA-N 0 0 313.369 0.287 50 0 DCAARN Cc1cc(C(=O)N(C)CCCCN2CCOCC2)cc(=O)[nH]1 ZINC000215674777 416327292 /nfs/dbraw/zinc/32/72/92/416327292.db2.gz AKEIIGQGZSDZOV-UHFFFAOYSA-N 0 0 307.394 0.868 50 0 DCAARN Cc1cc(C(=O)NCCc2noc([C@@H]3CCCO3)n2)cc(=O)[nH]1 ZINC000216167242 416327362 /nfs/dbraw/zinc/32/73/62/416327362.db2.gz KZWMFPXINFJZBY-NSHDSACASA-N 0 0 318.333 0.890 50 0 DCAARN O=C(NCCc1noc(C2CCCC2)n1)C1=NNC(=O)CC1 ZINC000216445555 416327414 /nfs/dbraw/zinc/32/74/14/416327414.db2.gz RUBBISXGGGZDKI-UHFFFAOYSA-N 0 0 305.338 0.652 50 0 DCAARN Cc1cc(C(=O)NC2CCN(CC[NH+](C)C)CC2)cc(=O)[nH]1 ZINC000216434482 416327443 /nfs/dbraw/zinc/32/74/43/416327443.db2.gz SRSGELVNFUFEEB-UHFFFAOYSA-N 0 0 306.410 0.439 50 0 DCAARN O=C(c1nc2ncccn2n1)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000216320657 416327514 /nfs/dbraw/zinc/32/75/14/416327514.db2.gz RIKKTGOVXWJWEZ-LBPRGKRZSA-N 0 0 311.349 0.873 50 0 DCAARN Nc1n[nH]c(C(=O)N2CCCO[C@H](Cn3cccn3)C2)c1Cl ZINC000216274414 416327522 /nfs/dbraw/zinc/32/75/22/416327522.db2.gz YQNXMHYANSKFOC-VIFPVBQESA-N 0 0 324.772 0.773 50 0 DCAARN c1cnc(N2CCCN(Cc3nc4ncccn4n3)CC2)nc1 ZINC000244659611 416330939 /nfs/dbraw/zinc/33/09/39/416330939.db2.gz HFSAFAXQTVRUBR-UHFFFAOYSA-N 0 0 310.365 0.627 50 0 DCAARN CN(CCCO)S(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C ZINC000583651653 416480921 /nfs/dbraw/zinc/48/09/21/416480921.db2.gz QIMZWTAFDGOMTJ-NSHDSACASA-N 0 0 322.427 0.352 50 0 DCAARN Nc1nc(CCNC(=O)[C@H]2Cc3ccccc3C(=O)N2)cs1 ZINC000584887919 416516241 /nfs/dbraw/zinc/51/62/41/416516241.db2.gz NDDXTZVKHRQHPY-GFCCVEGCSA-N 0 0 316.386 0.739 50 0 DCAARN Cc1cc(C[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)[nH]n1 ZINC000585114766 416517257 /nfs/dbraw/zinc/51/72/57/416517257.db2.gz XVPHUCPKQCAQBX-VIFPVBQESA-N 0 0 311.411 0.978 50 0 DCAARN NC(=O)c1ccc2c(n1)N(C(=O)COC[C@H]1CCCO1)CCC2 ZINC000585114357 416517528 /nfs/dbraw/zinc/51/75/28/416517528.db2.gz OWFXGHJHDPNXLQ-GFCCVEGCSA-N 0 0 319.361 0.655 50 0 DCAARN CCn1nc(C(=O)Nc2ccc(-n3cnnn3)cc2)ccc1=O ZINC000585188519 416519692 /nfs/dbraw/zinc/51/96/92/416519692.db2.gz VADIACPYGYPPBO-UHFFFAOYSA-N 0 0 311.305 0.491 50 0 DCAARN Cc1cc(=O)[nH]c(NCCNC(=O)NC[C@@H]2CCCCO2)n1 ZINC000426506881 416770735 /nfs/dbraw/zinc/77/07/35/416770735.db2.gz WTRNVUHRLCTSPG-NSHDSACASA-N 0 0 309.370 0.771 50 0 DCAARN Cc1ccn2c(c1)nc(C(=O)NCCc1nc(N)n[nH]1)c2F ZINC000426493319 416770861 /nfs/dbraw/zinc/77/08/61/416770861.db2.gz WFHYLSZNQNQRGT-UHFFFAOYSA-N 0 0 303.301 0.455 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H](CO)CC1CCCCC1 ZINC000616347842 417023145 /nfs/dbraw/zinc/02/31/45/417023145.db2.gz NLPKDNXSIHCCBK-RYUDHWBXSA-N 0 0 311.382 0.422 50 0 DCAARN Cc1cc(NC(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)n[nH]1 ZINC000390826164 417100425 /nfs/dbraw/zinc/10/04/25/417100425.db2.gz DLAJQJFFGFNJKN-UHFFFAOYSA-N 0 0 324.348 0.769 50 0 DCAARN C[C@@H](NC(=O)c1ccc2c(c1)N(C)C(=O)CO2)c1nncn1C ZINC000527993779 417292637 /nfs/dbraw/zinc/29/26/37/417292637.db2.gz DJDKYWLSDKVYIY-SECBINFHSA-N 0 0 315.333 0.661 50 0 DCAARN CN(C)S(=O)(=O)CC[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000528646070 417373786 /nfs/dbraw/zinc/37/37/86/417373786.db2.gz SCYPDHRFDODKRG-ZDUSSCGKSA-N 0 0 320.455 0.131 50 0 DCAARN O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1ccncc1 ZINC000575414610 417534958 /nfs/dbraw/zinc/53/49/58/417534958.db2.gz NFBNOQKVWOGXLB-LBPRGKRZSA-N 0 0 309.333 0.528 50 0 DCAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@]1(O)CCOC1 ZINC000575415595 417535940 /nfs/dbraw/zinc/53/59/40/417535940.db2.gz FDMNFFIAZOEMHD-CYBMUJFWSA-N 0 0 317.411 0.511 50 0 DCAARN CC[C@H](C)NC(=O)N1CC(n2cc(C(=O)N3CCCC3)nn2)C1 ZINC000575552045 417539983 /nfs/dbraw/zinc/53/99/83/417539983.db2.gz KNYJXUSENJURQD-NSHDSACASA-N 0 0 320.397 0.879 50 0 DCAARN C[C@H](C(=O)NCCn1cccc1)n1nc2c(cc1=O)CCC2 ZINC000575620890 417540927 /nfs/dbraw/zinc/54/09/27/417540927.db2.gz UMBMSFYZAVYXFF-GFCCVEGCSA-N 0 0 300.362 0.911 50 0 DCAARN Cn1cc(-c2ccc(CNC(=O)c3ccc(=O)n(C)n3)cn2)cn1 ZINC000575615286 417541322 /nfs/dbraw/zinc/54/13/22/417541322.db2.gz CZQIJDXEXHJROF-UHFFFAOYSA-N 0 0 324.344 0.506 50 0 DCAARN COC[C@@](C)(CNS(=O)(=O)c1cn(C)c(C(C)C)n1)OC ZINC000575612294 417541759 /nfs/dbraw/zinc/54/17/59/417541759.db2.gz LEPCHADCJMCGBS-CYBMUJFWSA-N 0 0 319.427 0.873 50 0 DCAARN Cn1nnnc1[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000575313717 417526803 /nfs/dbraw/zinc/52/68/03/417526803.db2.gz AMLDPANUJHPYRF-LBPRGKRZSA-N 0 0 301.350 0.995 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cnn(CCF)c1 ZINC000628764908 417688880 /nfs/dbraw/zinc/68/88/80/417688880.db2.gz OVBURYWWNZJZID-JTQLQIEISA-N 0 0 304.347 0.215 50 0 DCAARN CN1CC[C@@H](C(=O)Nc2nc(C(F)(F)F)c[nH]2)S1(=O)=O ZINC000649214234 418211074 /nfs/dbraw/zinc/21/10/74/418211074.db2.gz PZWMRBUFJRYUQI-YFKPBYRVSA-N 0 0 312.273 0.401 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C[C@H](C)O)C2CC2)C1 ZINC000655379116 418257376 /nfs/dbraw/zinc/25/73/76/418257376.db2.gz WQTFTGRHZXGSIJ-NWDGAFQWSA-N 0 0 318.439 0.420 50 0 DCAARN O=C(CN1CCCN(C(=O)[C@@H]2CCOC2)CC1)N1CCCC1 ZINC000363000658 262093686 /nfs/dbraw/zinc/09/36/86/262093686.db2.gz ORVIWCPHVMNOLK-CQSZACIVSA-N 0 0 309.410 0.180 50 0 DCAARN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)O1 ZINC000527542967 272615052 /nfs/dbraw/zinc/61/50/52/272615052.db2.gz RRLZRBYIGBNATI-BPLDGKMQSA-N 0 0 323.437 0.470 50 0 DCAARN CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(CCCO)=NC2=N1 ZINC000001795259 276176450 /nfs/dbraw/zinc/17/64/50/276176450.db2.gz LFXLZAQQWTZYFV-CQSZACIVSA-N 0 0 313.361 0.848 50 0 DCAARN CNC(=O)CN1C[C@H](NC(=O)c2csc(C)n2)[C@@H](C2CC2)C1 ZINC000091486290 277000792 /nfs/dbraw/zinc/00/07/92/277000792.db2.gz HEDYTCKTXGCLFM-NEPJUHHUSA-N 0 0 322.434 0.638 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccc(F)cc3)C(=O)[C@@]2(C)NN1 ZINC000004371185 277051511 /nfs/dbraw/zinc/05/15/11/277051511.db2.gz JAEWCSWZEVATSH-OTYXRUKQSA-N 0 0 305.265 0.206 50 0 DCAARN CC(=O)[C@H](C)n1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O ZINC000008710200 277098347 /nfs/dbraw/zinc/09/83/47/277098347.db2.gz UOPLCHPXQIGXCL-LURJTMIESA-N 0 0 304.306 0.708 50 0 DCAARN CC(=O)[C@@H]1[C@H](c2ccncc2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000000079361 278233017 /nfs/dbraw/zinc/23/30/17/278233017.db2.gz QOZFGMFRFZUXQD-YWVKMMECSA-N 0 0 303.240 0.892 50 0 DCAARN CC(=O)c1cccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000006719402 278251207 /nfs/dbraw/zinc/25/12/07/278251207.db2.gz JRAMKMPCAPOWEP-NEPJUHHUSA-N 0 0 310.400 0.749 50 0 DCAARN Cc1nc2c(cnn2C)c(N2CCC[C@]3(CNC(=O)O3)C2)n1 ZINC000095363830 279113852 /nfs/dbraw/zinc/11/38/52/279113852.db2.gz YTCJSCFPLXSEDV-AWEZNQCLSA-N 0 0 302.338 0.751 50 0 DCAARN Nc1nnc2c3cc(S(=O)(=O)N4CCCC4)ccc3[nH]c2n1 ZINC000012404618 279712539 /nfs/dbraw/zinc/71/25/39/279712539.db2.gz LHRPUXGQHIRELB-UHFFFAOYSA-N 0 0 318.362 0.873 50 0 DCAARN CC(C)[C@H](C(=O)N1CCN(C[C@H](C)O)CC1)N1CCCC1=O ZINC000069739678 280151206 /nfs/dbraw/zinc/15/12/06/280151206.db2.gz WUORKBWFGHSGEO-DZGCQCFKSA-N 0 0 311.426 0.158 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)CN2CCCCCC2=O)CC1 ZINC000070016669 280991774 /nfs/dbraw/zinc/99/17/74/280991774.db2.gz GJDMPACCIGYAOZ-AWEZNQCLSA-N 0 0 311.426 0.304 50 0 DCAARN COCC(=O)NC[C@H](NC(=O)COC)[C@@H](C)c1ccccc1 ZINC000564472927 288746798 /nfs/dbraw/zinc/74/67/98/288746798.db2.gz QLMCMWGYMFOIPC-JSGCOSHPSA-N 0 0 308.378 0.684 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)[C@](C)(O)[C@H](C)c2ccccc2)CCO1 ZINC000183986397 290585612 /nfs/dbraw/zinc/58/56/12/290585612.db2.gz ZIDNRAFQZWYCBC-HACGYAERSA-N 0 0 320.389 0.515 50 0 DCAARN NC(=O)Cn1cnc2c3cc4c(nc3sc2c1=O)CCC4 ZINC000040266432 295061212 /nfs/dbraw/zinc/06/12/12/295061212.db2.gz WMUYUCVSKARTKL-UHFFFAOYSA-N 0 0 300.343 0.980 50 0 DCAARN C[C@H](C(=O)N1CCN(C)C[C@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000089937808 298048485 /nfs/dbraw/zinc/04/84/85/298048485.db2.gz LPLKMPANGXDRTJ-VXGBXAGGSA-N 0 0 322.409 0.402 50 0 DCAARN O=C(N1CCCCC1)N1CCN(C(=O)N2CCOCC2)CC1 ZINC000000614497 303671638 /nfs/dbraw/zinc/67/16/38/303671638.db2.gz LDSQJDAJQNLARV-UHFFFAOYSA-N 0 0 310.398 0.662 50 0 DCAARN NS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000040217962 331614869 /nfs/dbraw/zinc/61/48/69/331614869.db2.gz NAAZMAQZOQCCNF-UHFFFAOYSA-N 0 0 309.347 0.394 50 0 DCAARN COC[C@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C1CC1 ZINC000187535768 332975804 /nfs/dbraw/zinc/97/58/04/332975804.db2.gz HWSDPPZZKTYRRR-JTQLQIEISA-N 0 0 309.338 0.852 50 0 DCAARN COCc1noc(CNC(=O)CCc2nc(Cl)n[nH]2)n1 ZINC000534584166 334289011 /nfs/dbraw/zinc/28/90/11/334289011.db2.gz WVDXKFNFOAVXSK-UHFFFAOYSA-N 0 0 300.706 0.237 50 0 DCAARN CN(C[C@H]1COCCO1)C(=O)NCc1nc(C(C)(C)C)no1 ZINC000534632390 334307952 /nfs/dbraw/zinc/30/79/52/334307952.db2.gz VRFLYVCDCTURSV-JTQLQIEISA-N 0 0 312.370 0.924 50 0 DCAARN O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)[C@H]1CCOC1 ZINC000238819923 534512960 /nfs/dbraw/zinc/51/29/60/534512960.db2.gz CJYPFHUKTTXOAN-QMMMGPOBSA-N 0 0 309.347 0.316 50 0 DCAARN C=CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000408525948 526915932 /nfs/dbraw/zinc/91/59/32/526915932.db2.gz VWWXEZSAGVHPLX-AWEZNQCLSA-N 0 0 302.330 0.683 50 0 DCAARN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C)CCN1C(=O)[C@@H]1C[C@H]1C ZINC000239591315 527880536 /nfs/dbraw/zinc/88/05/36/527880536.db2.gz 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/nfs/dbraw/zinc/70/48/04/545704804.db2.gz ZAQRKRRRCJYRIO-QWHCGFSZSA-N 0 0 306.366 0.319 50 0 DCAARN O=C([O-])c1ccc(N2C(=O)C[C@H](N3CCC(O)CC3)C2=O)cc1 ZINC000215705090 545937090 /nfs/dbraw/zinc/93/70/90/545937090.db2.gz MJORMDDQZWDCTM-ZDUSSCGKSA-N 0 0 318.329 0.473 50 0 DCAARN Cc1nnnn1CCC(=O)NCCc1cn2ccsc2n1 ZINC000222332048 545941826 /nfs/dbraw/zinc/94/18/26/545941826.db2.gz SPWHDJKYARQDBJ-UHFFFAOYSA-N 0 0 305.367 0.440 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H]2CCCO2)[C@H](C)CN1C(=O)[C@H]1CCCO1 ZINC000239164899 545961071 /nfs/dbraw/zinc/96/10/71/545961071.db2.gz NCRJFOUCNRHDNJ-SYQHCUMBSA-N 0 0 310.394 0.792 50 0 DCAARN CC[C@H](C)[C@@H](CO)NC(=O)[C@@H](c1ccccc1)n1cnnn1 ZINC000575443431 546298904 /nfs/dbraw/zinc/29/89/04/546298904.db2.gz FWCSRZFMNNWAEL-IACUBPJLSA-N 0 0 303.366 0.786 50 0 DCAARN CC(C)n1cnnc1CNC(=O)[C@@H]1CSC(C)(C)C(=O)N1 ZINC000670437052 547090321 /nfs/dbraw/zinc/09/03/21/547090321.db2.gz XZPNLABCIWKKCL-VIFPVBQESA-N 0 0 311.411 0.485 50 0 DCAARN CN1CCN(S(=O)(=O)c2ccc(F)cc2)C[C@H]1CCO ZINC000670439101 547091423 /nfs/dbraw/zinc/09/14/23/547091423.db2.gz HMZUDZHDDOULME-GFCCVEGCSA-N 0 0 302.371 0.513 50 0 DCAARN CCc1nnc(CN2CCC3(CC2)C(=O)N(C)C(=O)N3C)[nH]1 ZINC000670453212 547096144 /nfs/dbraw/zinc/09/61/44/547096144.db2.gz PNJSRDSAWGWEEB-UHFFFAOYSA-N 0 0 306.370 0.226 50 0 DCAARN COCCn1cnnc1CN(C)S(=O)(=O)c1ccccc1 ZINC000670457451 547097885 /nfs/dbraw/zinc/09/78/85/547097885.db2.gz KSUSRQVVXPINQN-UHFFFAOYSA-N 0 0 310.379 0.745 50 0 DCAARN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C(C)=C3CCCC3)C2)C1 ZINC000685941286 548746616 /nfs/dbraw/zinc/74/66/16/548746616.db2.gz BYEJFIDXCNEWPK-ZDUSSCGKSA-N 0 0 319.405 0.682 50 0 DCAARN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)C3(F)CCCC3)C2)C1 ZINC000685941633 548747086 /nfs/dbraw/zinc/74/70/86/548747086.db2.gz FDBTWUWKVFJASU-SNVBAGLBSA-N 0 0 311.357 0.074 50 0 DCAARN COC[C@H]1CN(C(=O)NCCN=S(C)(C)=O)C[C@H](C)O1 ZINC000888097048 661176046 /nfs/dbraw/zinc/17/60/46/661176046.db2.gz ZLLQEKDOMMUROM-WDEREUQCSA-N 0 0 307.416 0.159 50 0 DCAARN CN(C)c1cnccc1NC(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000888100327 661178481 /nfs/dbraw/zinc/17/84/81/661178481.db2.gz UYCOEPICBXWHDS-ZDUSSCGKSA-N 0 0 317.393 0.844 50 0 DCAARN CCOC[C@H]1CN(C(=O)Nc2ccncc2N(C)C)CCO1 ZINC000888100294 661178662 /nfs/dbraw/zinc/17/86/62/661178662.db2.gz MFVCAICZPWRRKG-GFCCVEGCSA-N 0 0 308.382 0.839 50 0 DCAARN CCCC[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)NC ZINC000585088584 661465220 /nfs/dbraw/zinc/46/52/20/661465220.db2.gz BVPLHPCVOZFJPV-NEPJUHHUSA-N 0 0 318.439 0.574 50 0 DCAARN Cc1ccc(C(=O)NCCN(C)S(C)(=O)=O)n1C(F)F ZINC000426642842 661688592 /nfs/dbraw/zinc/68/85/92/661688592.db2.gz BBQCGEKNHVUKQM-UHFFFAOYSA-N 0 0 309.338 0.813 50 0 DCAARN CN1C[C@@H]2CC[C@H](CC1=O)N2S(=O)(=O)CCc1ccncc1 ZINC000067654812 662826581 /nfs/dbraw/zinc/82/65/81/662826581.db2.gz AUHTYXOVPKWDGU-KGLIPLIRSA-N 0 0 323.418 0.649 50 0 DCAARN CC(C)c1nnc2n1C[C@H](NC(=O)c1cncnc1N)CC2 ZINC000192342378 662871968 /nfs/dbraw/zinc/87/19/68/662871968.db2.gz AFSGYIDKKKGHMR-SECBINFHSA-N 0 0 301.354 0.519 50 0 DCAARN CN(CC(=O)N1CCC(=O)C[C@H]1c1ccccc1)S(C)(=O)=O ZINC000585086108 662948262 /nfs/dbraw/zinc/94/82/62/662948262.db2.gz UJGWIWDOLHLWFP-AWEZNQCLSA-N 0 0 324.402 0.811 50 0 DCAARN CN1CCO[C@@H](CNC(=O)Cn2ccc(=O)c3ccccc32)C1 ZINC000171286021 664606668 /nfs/dbraw/zinc/60/66/68/664606668.db2.gz CEZTZFMFOBILIZ-ZDUSSCGKSA-N 0 0 315.373 0.448 50 0 DCAARN CN(C)c1nc(N)nc(CN2CC[C@H](Oc3cccnc3)C2)n1 ZINC000152500035 664760340 /nfs/dbraw/zinc/76/03/40/664760340.db2.gz JBXASJQTHATYJO-LBPRGKRZSA-N 0 0 315.381 0.568 50 0 DCAARN O=c1cc[nH]c2ccc(NS(=O)(=O)N3CCOCC3)cc12 ZINC000864091116 667214359 /nfs/dbraw/zinc/21/43/59/667214359.db2.gz LPETVHNNSRLAOY-UHFFFAOYSA-N 0 0 309.347 0.517 50 0 DCAARN CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCNC(=O)C2)CC1(F)F ZINC000864498788 667257676 /nfs/dbraw/zinc/25/76/76/667257676.db2.gz YKJMNLYJRUJFPI-LBPRGKRZSA-N 0 0 319.308 0.247 50 0 DCAARN O=S(=O)(CCc1ccccc1)N1CC(Cn2cncn2)C1 ZINC000828388393 668139440 /nfs/dbraw/zinc/13/94/40/668139440.db2.gz BEDNTVNNOUBZOH-UHFFFAOYSA-N 0 0 306.391 0.782 50 0 DCAARN COC(OC)C(=O)N1CCN(CCO[C@H]2CCCCO2)CC1 ZINC000857706524 670940208 /nfs/dbraw/zinc/94/02/08/670940208.db2.gz YENWLXWWPGPYDC-ZDUSSCGKSA-N 0 0 316.398 0.293 50 0 DCAARN Cc1cc(N)n(CC(=O)NCCNC(=O)c2ccc(F)cc2)n1 ZINC000952986166 685602073 /nfs/dbraw/zinc/60/20/73/685602073.db2.gz JYVUIDLDYATXDO-UHFFFAOYSA-N 0 0 319.340 0.459 50 0 DCAARN COCCCCN(C)C(=O)C1=CN(C)S(=O)(=O)N=C1C ZINC000952995773 685603372 /nfs/dbraw/zinc/60/33/72/685603372.db2.gz YGRZSFYNXSHDMP-UHFFFAOYSA-N 0 0 303.384 0.406 50 0 DCAARN COc1cc(CNc2n[nH]cc2C(N)=O)cc2c1OCCO2 ZINC000952993060 685603509 /nfs/dbraw/zinc/60/35/09/685603509.db2.gz VMMVVQDXOZVTEW-UHFFFAOYSA-N 0 0 304.306 0.901 50 0 DCAARN CS(=O)(=O)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000012711782 685047784 /nfs/dbraw/zinc/04/77/84/685047784.db2.gz IRPUGKKNGCEDBK-LBPRGKRZSA-N 0 0 300.355 0.518 50 0 DCAARN C[C@@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccc(F)cc3)CCN2C1=O ZINC000014540218 685048076 /nfs/dbraw/zinc/04/80/76/685048076.db2.gz NLXRGEFDZVWKQY-JOYOIKCWSA-N 0 0 321.308 0.356 50 0 DCAARN C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(F)cc(F)c3)CN2C1=O ZINC000014732996 685048743 /nfs/dbraw/zinc/04/87/43/685048743.db2.gz ILLHBKIVSWXXAC-MKCWBWRRSA-N 0 0 323.299 0.182 50 0 DCAARN C[C@@H](Cc1ccccc1)C(=O)N1CCC2(CC1)NCCNC2=O ZINC000067907862 685070592 /nfs/dbraw/zinc/07/05/92/685070592.db2.gz FBKJURVTCPCPGB-AWEZNQCLSA-N 0 0 315.417 0.946 50 0 DCAARN CC1=CC[C@@H]2CN(C(=O)CCn3ccc(=O)[nH]c3=O)C[C@@H]2C1 ZINC000071638827 685073755 /nfs/dbraw/zinc/07/37/55/685073755.db2.gz LGOSPLHONUQDNL-OLZOCXBDSA-N 0 0 303.362 0.741 50 0 DCAARN CCNC(=O)N1CCC(Nc2nc(C)nc3c2CNC3)CC1 ZINC000072152434 685074834 /nfs/dbraw/zinc/07/48/34/685074834.db2.gz WCKOLZHRMWLGJB-UHFFFAOYSA-N 0 0 304.398 0.994 50 0 DCAARN O=C([O-])[C@]12C[NH2+]C[C@H]1C(=O)N(CCOc1ccc(F)cc1)C2 ZINC000072436051 685075721 /nfs/dbraw/zinc/07/57/21/685075721.db2.gz IKQMLOSCHDDWJB-WFASDCNBSA-N 0 0 308.309 0.337 50 0 DCAARN O=C1CC[C@]2(CCOC2)CN1Cc1nc(-c2cnccn2)n[nH]1 ZINC000092066858 685106475 /nfs/dbraw/zinc/10/64/75/685106475.db2.gz WMUYXPWDRFWTBC-HNNXBMFYSA-N 0 0 314.349 0.791 50 0 DCAARN COC(=O)N[C@@H](C)C(=O)N1CCCN(C(=O)C2(C)CC2)CC1 ZINC001772701369 1157840781 /nfs/dbraw/zinc/84/07/81/1157840781.db2.gz LEINTMLTGXXZBD-NSHDSACASA-N 0 0 311.382 0.592 50 0 DCAARN C[C@H](NC(=O)c1ccco1)C(=O)NCC(C)(C)N1CCOCC1 ZINC000169977233 1158408781 /nfs/dbraw/zinc/40/87/81/1158408781.db2.gz ZZIBSCWIZPQKBO-LBPRGKRZSA-N 0 0 323.393 0.625 50 0 DCAARN COCc1noc(CN2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)n1 ZINC001704299489 1179965024 /nfs/dbraw/zinc/96/50/24/1179965024.db2.gz QNWWDPFZJGLBJV-PWSUYJOCSA-N 0 0 307.354 0.283 50 0 DCAARN O=C([C@@H]1CC(=O)OC12CCCCC2)N(CCO)Cc1ncc[nH]1 ZINC001704314355 1179971144 /nfs/dbraw/zinc/97/11/44/1179971144.db2.gz PFEXGSLGYPJAOV-LBPRGKRZSA-N 0 0 321.377 0.997 50 0 DCAARN Cc1onc(C(=O)N2C[C@@H](Cc3ccncc3)[C@H](O)C2)c1CO ZINC001704325571 1179973454 /nfs/dbraw/zinc/97/34/54/1179973454.db2.gz QAZVBWFULFTOIX-TZMCWYRMSA-N 0 0 317.345 0.546 50 0 DCAARN Cc1nc(N2C[C@@H]3COC[C@H](C2)NC3=O)nc2c1CCCC2 ZINC001704325472 1179973560 /nfs/dbraw/zinc/97/35/60/1179973560.db2.gz MNTJKJVUUIIRLF-NEPJUHHUSA-N 0 0 302.378 0.615 50 0 DCAARN COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)N(C)C3=O)c(F)c1 ZINC001704337489 1179978132 /nfs/dbraw/zinc/97/81/32/1179978132.db2.gz SXMFHBKKVZQCQE-MNOVXSKESA-N 0 0 322.336 0.764 50 0 DCAARN Nc1nnc(CCNc2cncc(C(=O)N3CCCC3)n2)s1 ZINC001704339662 1179978719 /nfs/dbraw/zinc/97/87/19/1179978719.db2.gz VOEZXEIYVJNFMZ-UHFFFAOYSA-N 0 0 319.394 0.801 50 0 DCAARN COC(=O)N[C@H](C)C(=O)N1CCN(c2nc(C)cnc2C)CC1 ZINC001704351318 1179982890 /nfs/dbraw/zinc/98/28/90/1179982890.db2.gz VUBLKMSJILFUEZ-GFCCVEGCSA-N 0 0 321.381 0.487 50 0 DCAARN Cn1cc(Cl)c(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)n1 ZINC001704353129 1179982916 /nfs/dbraw/zinc/98/29/16/1179982916.db2.gz AHLSTTRMOXGLNP-BXKDBHETSA-N 0 0 321.768 0.539 50 0 DCAARN Cn1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)ccc1=O ZINC001704356647 1179984669 /nfs/dbraw/zinc/98/46/69/1179984669.db2.gz IEFNGLUJTKCFNL-CABCVRRESA-N 0 0 313.357 0.768 50 0 DCAARN CCCc1nnc(NC(=O)CN(C)C[C@H]2COCCO2)s1 ZINC001704356140 1179984980 /nfs/dbraw/zinc/98/49/80/1179984980.db2.gz WBRVFEMGGYMUTP-JTQLQIEISA-N 0 0 314.411 0.776 50 0 DCAARN Cn1ccsc1=NC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000588557582 747441440 /nfs/dbraw/zinc/44/14/40/747441440.db2.gz QYJWLEDHESVWNZ-UHFFFAOYSA-N 0 0 317.374 0.159 50 0 DCAARN Cc1cc(C(=O)N2CC[C@@H](CC(=O)N3CCOCC3)C2)n(C)n1 ZINC000581783254 747971357 /nfs/dbraw/zinc/97/13/57/747971357.db2.gz YEKUMHBSGITAFJ-ZDUSSCGKSA-N 0 0 320.393 0.440 50 0 DCAARN Cn1cccc1C(=O)N1Cc2c(C(=O)NC3CC3)nn(C)c2C1 ZINC000675009248 748024911 /nfs/dbraw/zinc/02/49/11/748024911.db2.gz UGGHLURPCFBNHX-UHFFFAOYSA-N 0 0 313.361 0.807 50 0 DCAARN CCn1ncc(C(=O)N2CC(=O)N3C[C@@H](OC)C[C@H]3C2)c1C ZINC000675018454 748026577 /nfs/dbraw/zinc/02/65/77/748026577.db2.gz ZBXWURSTUGYBBW-RYUDHWBXSA-N 0 0 306.366 0.283 50 0 DCAARN CO[C@H]1C[C@H]2CN(C(=O)NCCc3ccccc3)CC(=O)N2C1 ZINC000675018390 748026825 /nfs/dbraw/zinc/02/68/25/748026825.db2.gz XJIUIUCMGZJKCN-GJZGRUSLSA-N 0 0 317.389 0.870 50 0 DCAARN CCOCc1cn([C@@H]2CCN(C(=O)CCn3cccn3)C2)nn1 ZINC000675018326 748027101 /nfs/dbraw/zinc/02/71/01/748027101.db2.gz PSOFAKZTDIBYSQ-CQSZACIVSA-N 0 0 318.381 0.875 50 0 DCAARN COCCn1nnnc1[C@@]1(N(C)C)CCN(C(=O)CC2CC2)C1 ZINC000675025558 748029196 /nfs/dbraw/zinc/02/91/96/748029196.db2.gz CNJVJNUBBIKXQM-OAHLLOKOSA-N 0 0 322.413 0.109 50 0 DCAARN C[C@H](Cc1nc(CC(N)=O)nn1C(C)(C)C)N1CCOCC1 ZINC000821758524 758181580 /nfs/dbraw/zinc/18/15/80/758181580.db2.gz HEYKKYOTMDLUJF-LLVKDONJSA-N 0 0 309.414 0.324 50 0 DCAARN CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000823123415 758227070 /nfs/dbraw/zinc/22/70/70/758227070.db2.gz YZKBAATXWFBBJK-SNVBAGLBSA-N 0 0 300.384 0.173 50 0 DCAARN CCn1cc(CN(C)[C@@H](C)CNS(=O)(=O)CC)c(C)n1 ZINC000823584011 758252577 /nfs/dbraw/zinc/25/25/77/758252577.db2.gz GIKPIYLQIAVBKZ-NSHDSACASA-N 0 0 302.444 0.971 50 0 DCAARN COCCCCN1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000824388968 758769203 /nfs/dbraw/zinc/76/92/03/758769203.db2.gz SEUREUUQOQTZJH-UHFFFAOYSA-N 0 0 305.444 0.371 50 0 DCAARN NC(=O)Cc1n[nH]c([C@H]2CCCC[C@H]2C(=O)N2CCCC2)n1 ZINC000826842480 758845160 /nfs/dbraw/zinc/84/51/60/758845160.db2.gz VWDJEWVTNKOJJN-WDEREUQCSA-N 0 0 305.382 0.729 50 0 DCAARN O=C(CN1CCOCC1)NCc1nncn1C1CCCCC1 ZINC000827836890 758887918 /nfs/dbraw/zinc/88/79/18/758887918.db2.gz RDURJOGUTRHCOR-UHFFFAOYSA-N 0 0 307.398 0.732 50 0 DCAARN O=C1CCCCN1CCNc1nccc(N2CCC(O)CC2)n1 ZINC000828631367 759049966 /nfs/dbraw/zinc/04/99/66/759049966.db2.gz MIKDDXFNZYKVOO-UHFFFAOYSA-N 0 0 319.409 0.862 50 0 DCAARN C[C@H](NC(=O)c1ccc2c(c1)ncn2CCO)c1nncn1C ZINC000828777035 759093521 /nfs/dbraw/zinc/09/35/21/759093521.db2.gz SOZRUBYFLZHMRF-JTQLQIEISA-N 0 0 314.349 0.648 50 0 DCAARN COCCNC(=O)CC1=C2CCCC[C@H]2N(CCOC)C1=O ZINC000581793250 760252304 /nfs/dbraw/zinc/25/23/04/760252304.db2.gz SOCMFASQGAGGSA-CQSZACIVSA-N 0 0 310.394 0.867 50 0 DCAARN CCS(=O)(=O)N1CCC([C@H]2[C@@H](OC)C(=O)N2C(C)C)CC1 ZINC000581812690 760253945 /nfs/dbraw/zinc/25/39/45/760253945.db2.gz NCPOGVCPJMLFRP-QWHCGFSZSA-N 0 0 318.439 0.682 50 0 DCAARN Cn1nc(NC(=O)N[C@@H](CCCO)c2ccccc2)ccc1=O ZINC000585119308 766287620 /nfs/dbraw/zinc/28/76/20/766287620.db2.gz BHDCTKQVUCQUOH-ZDUSSCGKSA-N 0 0 316.361 1.416 50 0 DCAARN CC[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC000585121018 766287692 /nfs/dbraw/zinc/28/76/92/766287692.db2.gz CDXLFRISBMJCGC-GXFFZTMASA-N 0 0 323.368 0.643 50 0 DCAARN Cn1nc(NC(=O)CCCNC(=O)c2ccccc2)ccc1=O ZINC000585125054 766288151 /nfs/dbraw/zinc/28/81/51/766288151.db2.gz FIZGNOOCINTYQZ-UHFFFAOYSA-N 0 0 314.345 0.929 50 0 DCAARN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)CCCS(N)(=O)=O ZINC000585135666 766292967 /nfs/dbraw/zinc/29/29/67/766292967.db2.gz VGOZGJRUGUXJSP-WDEREUQCSA-N 0 0 306.428 0.765 50 0 DCAARN CCO[C@H]1C[C@@H](NC(=O)N[C@@H]2COC(=O)C2)C12CCOCC2 ZINC000585137755 766293694 /nfs/dbraw/zinc/29/36/94/766293694.db2.gz RUORYJANXFIBRZ-TUAOUCFPSA-N 0 0 312.366 0.575 50 0 DCAARN COCc1nc(C)c(C(=O)N2CCCN(C)S2(=O)=O)s1 ZINC000952832966 768908625 /nfs/dbraw/zinc/90/86/25/768908625.db2.gz LIXUDTCBDJONJE-UHFFFAOYSA-N 0 0 319.408 0.620 50 0 DCAARN CN1CCCN(C(=O)Cn2nnc(N)n2)c2ccc(F)cc21 ZINC000952848401 768911617 /nfs/dbraw/zinc/91/16/17/768911617.db2.gz FPQZGHHUHDMYRL-UHFFFAOYSA-N 0 0 305.317 0.268 50 0 DCAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1C[C@@H](O)[C@H](F)C1 ZINC000952868118 768924600 /nfs/dbraw/zinc/92/46/00/768924600.db2.gz YXPGRGHVQLQXCH-GHMZBOCLSA-N 0 0 305.375 0.784 50 0 DCAARN Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)N1C[C@@H](O)[C@H](F)C1 ZINC000952869469 768925360 /nfs/dbraw/zinc/92/53/60/768925360.db2.gz LFLUNACSNMIVAN-PSASIEDQSA-N 0 0 315.326 0.681 50 0 DCAARN CCn1ncc(NC(=O)Cn2cc(-c3cnn(C)c3)cn2)n1 ZINC000048214367 769444042 /nfs/dbraw/zinc/44/40/42/769444042.db2.gz WRWRSNFSYHKWQX-UHFFFAOYSA-N 0 0 300.326 0.534 50 0 DCAARN O=C([C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl)N1CC(O)C1 ZINC001529112841 1014498402 /nfs/dbraw/zinc/49/84/02/1014498402.db2.gz RASDFVDUUHAKHN-OLZOCXBDSA-N 0 0 310.737 0.099 50 0 DCAARN Cn1c(=O)[nH]cc(CC(=O)N(Cc2ccncc2)C2CC2)c1=O ZINC001506397756 1017253388 /nfs/dbraw/zinc/25/33/88/1017253388.db2.gz XHOWGFWEEDXANN-UHFFFAOYSA-N 0 0 314.345 0.615 50 0 DCAARN NC(=O)C1(Nc2nccc(N3CC[C@@H](O)C3)n2)CCCCC1 ZINC001506396630 1017253728 /nfs/dbraw/zinc/25/37/28/1017253728.db2.gz VQQIVIXGULPIFU-LLVKDONJSA-N 0 0 305.382 0.648 50 0 DCAARN Cc1nnc(SCC(=O)N2Cc3nc(C)n(C)c(=O)c3C2)o1 ZINC001506401911 1017256515 /nfs/dbraw/zinc/25/65/15/1017256515.db2.gz KPKOCQKYSVTVFO-UHFFFAOYSA-N 0 0 321.362 0.415 50 0 DCAARN COCC[N@@H+]1CCC[C@@H](CN(C)c2nccnc2C(=O)[O-])C1 ZINC001506430015 1017271599 /nfs/dbraw/zinc/27/15/99/1017271599.db2.gz WTMJCXKLSTWORD-LBPRGKRZSA-N 0 0 308.382 0.969 50 0 DCAARN O=C(CNC(=O)c1cnccn1)Nc1n[nH]c2cccc(F)c21 ZINC000095479559 185373528 /nfs/dbraw/zinc/37/35/28/185373528.db2.gz OSMLQZCCGXTNTF-UHFFFAOYSA-N 0 0 314.280 0.861 50 0 DCAARN Cc1nn(C)c(C)c1CNC(=O)COc1c[nH]c(C)cc1=O ZINC000095479828 185373556 /nfs/dbraw/zinc/37/35/56/185373556.db2.gz IDRWTPJXAAGDRM-UHFFFAOYSA-N 0 0 304.350 0.729 50 0 DCAARN COC(=O)C(C(=O)OC)c1ccc(S(C)(=O)=O)cc1N ZINC000095494753 185373903 /nfs/dbraw/zinc/37/39/03/185373903.db2.gz ZKBQKTBLEZFORV-UHFFFAOYSA-N 0 0 301.320 0.102 50 0 DCAARN CC1(C)OC(=O)N(CC(=O)N2CCC(c3ncon3)CC2)C1=O ZINC000095500111 185374858 /nfs/dbraw/zinc/37/48/58/185374858.db2.gz XSOYTQUDAFWUBW-UHFFFAOYSA-N 0 0 322.321 0.533 50 0 DCAARN CN(C[C@H]1COCCO1)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000095499550 185374880 /nfs/dbraw/zinc/37/48/80/185374880.db2.gz RLDFPAVZMJOMFO-NSHDSACASA-N 0 0 305.334 0.203 50 0 DCAARN COCCc1nc(Cn2cnnn2)n(-c2ccc(F)c(F)c2)n1 ZINC000095505351 185375271 /nfs/dbraw/zinc/37/52/71/185375271.db2.gz FZZLYGJSXUQXKD-UHFFFAOYSA-N 0 0 321.291 0.769 50 0 DCAARN O=C(Nc1ccnn1Cc1ccco1)N1CCOC[C@H](O)C1 ZINC000095529516 185378946 /nfs/dbraw/zinc/37/89/46/185378946.db2.gz NFZGGAFOCOCMCE-LLVKDONJSA-N 0 0 306.322 0.749 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CC[C@@H](Oc3cccnn3)C2)c1 ZINC000225420098 201704811 /nfs/dbraw/zinc/70/48/11/201704811.db2.gz HBHKBCIPDCISGP-SNVBAGLBSA-N 0 0 309.351 0.052 50 0 DCAARN Cn1cc(CCN2CCO[C@@H](CNc3cccnn3)C2)cn1 ZINC000078894058 185123791 /nfs/dbraw/zinc/12/37/91/185123791.db2.gz WGBXNTPUIUCMFM-AWEZNQCLSA-N 0 0 302.382 0.566 50 0 DCAARN CCCc1nc(C[S@@](=O)[C@@H](C)C(=O)NCCCOC)no1 ZINC000079324583 185165049 /nfs/dbraw/zinc/16/50/49/185165049.db2.gz IIUZSPTUPDCPHY-CWKPULSASA-N 0 0 317.411 0.812 50 0 DCAARN O=C(CN1CCCCCCC1=O)N[C@@H](CO)Cc1ccncc1 ZINC000278714031 214347546 /nfs/dbraw/zinc/34/75/46/214347546.db2.gz TVSGQGYEPKFFRU-OAHLLOKOSA-N 0 0 319.405 0.894 50 0 DCAARN COc1ccc(O[C@H]2CCN(C(=O)c3ncccn3)C2)nn1 ZINC000225440044 201708379 /nfs/dbraw/zinc/70/83/79/201708379.db2.gz SGVIWQHMOGBMQS-JTQLQIEISA-N 0 0 301.306 0.569 50 0 DCAARN CN(C)C(=O)N1CCN(C(=O)N(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000328587265 231232957 /nfs/dbraw/zinc/23/29/57/231232957.db2.gz RSQMIQVCCUGGGE-GFCCVEGCSA-N 0 0 308.386 0.442 50 0 DCAARN CC[C@@]1(C)NC(=O)N(NC(=O)COc2cccc(OC)c2)C1=O ZINC000299448168 529539345 /nfs/dbraw/zinc/53/93/45/529539345.db2.gz FNHGPOCAGKVRKB-OAHLLOKOSA-N 0 0 321.333 0.826 50 0 DCAARN CC[C@@]1(O)CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000332628456 529569670 /nfs/dbraw/zinc/56/96/70/529569670.db2.gz GLMFLSZQIMXPJA-JOYOIKCWSA-N 0 0 308.300 0.771 50 0 DCAARN CC(=O)N1CCN(C(=O)NCc2nnc3ccccn32)CC1 ZINC000089954507 185271326 /nfs/dbraw/zinc/27/13/26/185271326.db2.gz QFSMVDYISMLGJC-UHFFFAOYSA-N 0 0 302.338 0.103 50 0 DCAARN CC(=O)N1CCN(C(=O)NC[C@@H](c2ccco2)N(C)C)CC1 ZINC000089954493 185271532 /nfs/dbraw/zinc/27/15/32/185271532.db2.gz BTKHSJKPSPBRDQ-ZDUSSCGKSA-N 0 0 308.382 0.756 50 0 DCAARN COCCOCC(=O)N[C@@H]1CCCCN(C(=O)N(C)C)C1 ZINC000082097797 192354511 /nfs/dbraw/zinc/35/45/11/192354511.db2.gz FSPZLYDXEJVGMK-GFCCVEGCSA-N 0 0 301.387 0.302 50 0 DCAARN COC(=O)[C@@H]1c2ccsc2CCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC000090608640 185306387 /nfs/dbraw/zinc/30/63/87/185306387.db2.gz DWRPOCQSRLDXIZ-ZANVPECISA-N 0 0 322.386 0.825 50 0 DCAARN Cc1ccc(N2CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2=O)cc1 ZINC000082134609 192360150 /nfs/dbraw/zinc/36/01/50/192360150.db2.gz QCCVWQAAVIGLAJ-CYBMUJFWSA-N 0 0 316.361 0.194 50 0 DCAARN CO[C@H](C)CCNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000095395476 185352677 /nfs/dbraw/zinc/35/26/77/185352677.db2.gz BXHLDQPGYXWRPA-BDAKNGLRSA-N 0 0 311.304 0.874 50 0 DCAARN CN1CCN(C(C)(C)C(=O)NC[C@@H](O)Cc2ccccc2)CC1 ZINC000095417027 185359331 /nfs/dbraw/zinc/35/93/31/185359331.db2.gz JYAQSWLZIWVMDD-INIZCTEOSA-N 0 0 319.449 0.732 50 0 DCAARN COC(=O)N(C)CC(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000095435073 185364708 /nfs/dbraw/zinc/36/47/08/185364708.db2.gz IPHLLDSICAIIQR-DGCLKSJQSA-N 0 0 323.393 0.687 50 0 DCAARN Cc1[nH]c(=O)ccc1C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000095435589 185364743 /nfs/dbraw/zinc/36/47/43/185364743.db2.gz BVPZODOMOVFHDY-UHFFFAOYSA-N 0 0 301.350 0.827 50 0 DCAARN CNC(=O)[C@@H](C)CN(C)c1cnn(C)c(=O)c1Br ZINC000097011581 185396864 /nfs/dbraw/zinc/39/68/64/185396864.db2.gz SWYPQAZZQNBVGD-ZETCQYMHSA-N 0 0 317.187 0.361 50 0 DCAARN C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000095451713 185369153 /nfs/dbraw/zinc/36/91/53/185369153.db2.gz ZQWPKSKIFFXCQZ-JTQLQIEISA-N 0 0 316.354 0.039 50 0 DCAARN O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1CCCC[C@@H]1CO ZINC000095461592 185370888 /nfs/dbraw/zinc/37/08/88/185370888.db2.gz JRMQEMWOOWXSDX-VXGBXAGGSA-N 0 0 315.395 0.380 50 0 DCAARN CN(C)C1CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000095462093 185371033 /nfs/dbraw/zinc/37/10/33/185371033.db2.gz VNZOTKIABXGFCE-UHFFFAOYSA-N 0 0 318.420 0.025 50 0 DCAARN CN1C[C@@H](C(=O)NCCN2CCCOC2=O)Oc2ccccc21 ZINC000299784278 529816475 /nfs/dbraw/zinc/81/64/75/529816475.db2.gz GIVZTDXGRVPJNX-AWEZNQCLSA-N 0 0 319.361 0.842 50 0 DCAARN O=C(COC[C@@H]1CCCO1)N1CCN(c2cnccn2)CC1 ZINC000225521389 201726097 /nfs/dbraw/zinc/72/60/97/201726097.db2.gz XXZOGYVYMNITHI-ZDUSSCGKSA-N 0 0 306.366 0.321 50 0 DCAARN CCOC(=O)[C@H](C)CNC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000225564647 201732386 /nfs/dbraw/zinc/73/23/86/201732386.db2.gz DYMQEQZDTDFGJC-SECBINFHSA-N 0 0 314.363 0.263 50 0 DCAARN C[C@H](NC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C)c1cn[nH]c1 ZINC000286770818 219157170 /nfs/dbraw/zinc/15/71/70/219157170.db2.gz QCUSJWVHNMIKNQ-OBJOEFQTSA-N 0 0 307.398 0.975 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)c2csc(C)n2)CC1 ZINC000069817428 190823557 /nfs/dbraw/zinc/82/35/57/190823557.db2.gz FZFYPSBPSJCGPW-GFCCVEGCSA-N 0 0 313.423 0.607 50 0 DCAARN Cc1cc(C(=O)NCCS(N)(=O)=O)cc(C)c1OC(F)F ZINC000069980526 190847144 /nfs/dbraw/zinc/84/71/44/190847144.db2.gz DXJTZYMTZFRYCA-UHFFFAOYSA-N 0 0 322.333 0.923 50 0 DCAARN Cn1c2nnc(-c3ccccc3)n2c2c1c(=O)n(C)c(=O)n2C ZINC000001102049 282610184 /nfs/dbraw/zinc/61/01/84/282610184.db2.gz KZIDYVLOALMXOJ-UHFFFAOYSA-N 0 0 310.317 0.285 50 0 DCAARN Cc1nnc(CCC(=O)N2CCC(N3CCCC3=O)CC2)[nH]1 ZINC000071738685 191019626 /nfs/dbraw/zinc/01/96/26/191019626.db2.gz SMELTIFBHCWQEK-UHFFFAOYSA-N 0 0 305.382 0.659 50 0 DCAARN NC(=O)NCC(=O)N1CCO[C@H](Cc2ccccc2Cl)C1 ZINC000071764794 191027444 /nfs/dbraw/zinc/02/74/44/191027444.db2.gz XGQNHMOXTSJZTK-LLVKDONJSA-N 0 0 311.769 0.778 50 0 DCAARN Cn1c(=O)cc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c2ccccc21 ZINC000072120829 191039842 /nfs/dbraw/zinc/03/98/42/191039842.db2.gz CBBVBAGHHVOESW-ABAIWWIYSA-N 0 0 316.357 0.354 50 0 DCAARN CCc1cnc(C)nc1N1CCN[C@@H](C(=O)N2CCCC2)C1 ZINC000072121117 191041012 /nfs/dbraw/zinc/04/10/12/191041012.db2.gz CSSDKLLFKIJOCV-CQSZACIVSA-N 0 0 303.410 0.748 50 0 DCAARN Cc1ccncc1C(=O)N1CCNC[C@H]1C(=O)N1CCCC1 ZINC000072126359 191042243 /nfs/dbraw/zinc/04/22/43/191042243.db2.gz NKHPRNPJCAPTEI-AWEZNQCLSA-N 0 0 302.378 0.426 50 0 DCAARN O=C(CN1CCC[C@@]2(CNC(=O)O2)C1)NCc1ccccn1 ZINC000072145644 191051999 /nfs/dbraw/zinc/05/19/99/191051999.db2.gz ZUGAKOYDWHRGEE-OAHLLOKOSA-N 0 0 304.350 0.272 50 0 DCAARN O=C(CCn1ccccc1=O)N1CCC[C@@]2(CNC(=O)O2)CC1 ZINC000072156491 191058846 /nfs/dbraw/zinc/05/88/46/191058846.db2.gz OXXCWZAABCYPIC-INIZCTEOSA-N 0 0 319.361 0.730 50 0 DCAARN COC(=O)c1ccc(-c2noc(CN(C)[C@H](C)C(N)=O)n2)cc1 ZINC000072158380 191060788 /nfs/dbraw/zinc/06/07/88/191060788.db2.gz DBDOWVNVECORRB-SECBINFHSA-N 0 0 318.333 0.829 50 0 DCAARN COC[C@@H](NS(=O)(=O)NCc1ccccc1)c1ccnn1C ZINC000072161947 191062558 /nfs/dbraw/zinc/06/25/58/191062558.db2.gz SSAYMTVUNDHEPM-CYBMUJFWSA-N 0 0 324.406 0.732 50 0 DCAARN CCCn1nccc1C(=O)N1CCNC[C@H]1C(=O)N1CCCC1 ZINC000072161593 191062764 /nfs/dbraw/zinc/06/27/64/191062764.db2.gz LHAQOKWHMXSCOC-AWEZNQCLSA-N 0 0 319.409 0.330 50 0 DCAARN Nc1nc2c(c(=O)[nH]1)CCN(C(=O)CSc1ccncc1)C2 ZINC000072165298 191064539 /nfs/dbraw/zinc/06/45/39/191064539.db2.gz OXBRIYQRKOAVAZ-UHFFFAOYSA-N 0 0 317.374 0.424 50 0 DCAARN Cc1nc([C@H]2CCCN(C(=O)Cn3ccccc3=O)C2)no1 ZINC000072232328 191079327 /nfs/dbraw/zinc/07/93/27/191079327.db2.gz VNQXACRZQNMXOC-LBPRGKRZSA-N 0 0 302.334 0.946 50 0 DCAARN Cc1nc(C)n(C[C@H]2CN(Cc3cnc(C)cn3)CCO2)n1 ZINC000072253542 191087676 /nfs/dbraw/zinc/08/76/76/191087676.db2.gz JDKDXXQKZCULHQ-OAHLLOKOSA-N 0 0 302.382 0.894 50 0 DCAARN OC[C@H]1CCCN1c1cc(NCCCN2CCOCC2)ncn1 ZINC000072275960 191096516 /nfs/dbraw/zinc/09/65/16/191096516.db2.gz JQTWOCASTHIURV-CQSZACIVSA-N 0 0 321.425 0.572 50 0 DCAARN CNC(=O)Cn1cnc(NC(=O)Cc2ccc(Cl)cc2)n1 ZINC000072296984 191111828 /nfs/dbraw/zinc/11/18/28/191111828.db2.gz ZXSWVKXYQFZGDL-UHFFFAOYSA-N 0 0 307.741 0.859 50 0 DCAARN O=c1ccn(Cc2nc(Cc3cccc(F)c3)no2)c(=O)[nH]1 ZINC000225588005 186280284 /nfs/dbraw/zinc/28/02/84/186280284.db2.gz UJACIFKCALPHCR-UHFFFAOYSA-N 0 0 302.265 0.698 50 0 DCAARN O=C(NCCN1C(=O)c2ccccc2C1=O)[C@H]1CCCC(=O)N1 ZINC000225663459 186287488 /nfs/dbraw/zinc/28/74/88/186287488.db2.gz TYAWMEHJKSIWHN-GFCCVEGCSA-N 0 0 315.329 0.068 50 0 DCAARN Cc1csc(NC(=O)CN2CCc3nn(C)c(=O)cc3C2)n1 ZINC000072302351 191115135 /nfs/dbraw/zinc/11/51/35/191115135.db2.gz KRFSRQMAQCCTPS-UHFFFAOYSA-N 0 0 319.390 0.542 50 0 DCAARN CCn1nc2c(cc1=O)CN(CC(=O)Nc1nncs1)CC2 ZINC000072302265 191115184 /nfs/dbraw/zinc/11/51/84/191115184.db2.gz YDWHVVRVEIKUJL-UHFFFAOYSA-N 0 0 320.378 0.112 50 0 DCAARN CCOC(=O)[C@H]1CC[C@@H](C(=O)OCC)N1C(=O)[C@H](C)OCC ZINC000253392309 186302872 /nfs/dbraw/zinc/30/28/72/186302872.db2.gz SOFFNKDRPJHBNF-SDDRHHMPSA-N 0 0 315.366 0.897 50 0 DCAARN CCOC(=O)[C@H]1CC[C@@H](C(=O)OCC)N1C(=O)[C@@H](C)OCC ZINC000253392310 186303137 /nfs/dbraw/zinc/30/31/37/186303137.db2.gz SOFFNKDRPJHBNF-UTUOFQBUSA-N 0 0 315.366 0.897 50 0 DCAARN CSc1ncccc1C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC000253407618 186308418 /nfs/dbraw/zinc/30/84/18/186308418.db2.gz WRMZXBNCOSIVKB-UHFFFAOYSA-N 0 0 316.346 0.877 50 0 DCAARN COC(=O)C1=C(c2ccccc2)S(=O)(=O)CCN1C(C)=O ZINC000000077195 290927404 /nfs/dbraw/zinc/92/74/04/290927404.db2.gz FYSRYBLZOHVYIG-UHFFFAOYSA-N 0 0 309.343 0.805 50 0 DCAARN Cc1ccc(NCCCNC(=O)[C@@H](C)NS(C)(=O)=O)nc1 ZINC000172364168 198086008 /nfs/dbraw/zinc/08/60/08/198086008.db2.gz MIKZBKRWNKWIMM-LLVKDONJSA-N 0 0 314.411 0.246 50 0 DCAARN O=S1(=O)C[C@H]2[C@@H](C1)N(CC1CC1)CCN2Cc1ncc[nH]1 ZINC000072411143 191154475 /nfs/dbraw/zinc/15/44/75/191154475.db2.gz HQXSCKKAIKUZRC-OLZOCXBDSA-N 0 0 310.423 0.103 50 0 DCAARN CC(C)(O)CCc1ccc(C(=O)N2CCO[C@H](C(N)=O)C2)cc1 ZINC000072410132 191154647 /nfs/dbraw/zinc/15/46/47/191154647.db2.gz PMSYUTWFRRDOHS-AWEZNQCLSA-N 0 0 320.389 0.716 50 0 DCAARN COCCn1cnnc1CCNC(=O)Cc1csc(C)n1 ZINC000072420960 191158088 /nfs/dbraw/zinc/15/80/88/191158088.db2.gz JULCNGJOBIMOLM-UHFFFAOYSA-N 0 0 309.395 0.591 50 0 DCAARN CCOC[C@H](O)CNc1ncnc2c1CCN(C(C)=O)CC2 ZINC000072432593 191163811 /nfs/dbraw/zinc/16/38/11/191163811.db2.gz SVADHIGGSBQOJR-GFCCVEGCSA-N 0 0 308.382 0.233 50 0 DCAARN O=C(C1CC1)N1CCN(Cc2ccco2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072439119 191167983 /nfs/dbraw/zinc/16/79/83/191167983.db2.gz YILXHGCTEBKWSK-UONOGXRCSA-N 0 0 324.402 0.499 50 0 DCAARN CN(CCCc1cnn(C)c1)C(=O)[C@H]1NCCc2nc[nH]c21 ZINC000072473178 191176132 /nfs/dbraw/zinc/17/61/32/191176132.db2.gz KXGZZYCHFYXWBH-AWEZNQCLSA-N 0 0 302.382 0.421 50 0 DCAARN Cn1ccc(C(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)c1 ZINC000331830063 234172854 /nfs/dbraw/zinc/17/28/54/234172854.db2.gz QYBSXOOULDTFBL-LLVKDONJSA-N 0 0 302.338 0.193 50 0 DCAARN Nc1cc(=O)n(-c2ccc(S(=O)(=O)C(F)F)cc2N)[nH]1 ZINC000002163803 180913545 /nfs/dbraw/zinc/91/35/45/180913545.db2.gz OUJSFYQSAYIGOQ-UHFFFAOYSA-N 0 0 304.278 0.274 50 0 DCAARN Cc1cc(C)cc(C(=O)NCC(=O)N2CCC(C(N)=O)CC2)c1 ZINC000003310004 181002653 /nfs/dbraw/zinc/00/26/53/181002653.db2.gz QMCWJMKTRNHVSV-UHFFFAOYSA-N 0 0 317.389 0.757 50 0 DCAARN NC(=O)NC(=O)COC(=O)c1cccc(Br)c1 ZINC000003377416 181012881 /nfs/dbraw/zinc/01/28/81/181012881.db2.gz HVLNOBADOGRWEC-UHFFFAOYSA-N 0 0 301.096 0.801 50 0 DCAARN C[C@H]1CN(C(=O)CNC(=O)COc2ccccc2)C[C@H](C)O1 ZINC000003432683 181018843 /nfs/dbraw/zinc/01/88/43/181018843.db2.gz NNCQESXTVYIYMK-STQMWFEESA-N 0 0 306.362 0.817 50 0 DCAARN C[C@H](Sc1nnnn1C)C(=O)NC(=O)NC1CCCCC1 ZINC000003457209 181023110 /nfs/dbraw/zinc/02/31/10/181023110.db2.gz HUAKNKWUUZIHAK-QMMMGPOBSA-N 0 0 312.399 0.849 50 0 DCAARN CCN(C(=O)CSc1ncccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000003520971 181030136 /nfs/dbraw/zinc/03/01/36/181030136.db2.gz GKUBKSIJLOPINP-SNVBAGLBSA-N 0 0 315.420 0.604 50 0 DCAARN COC(=O)[C@H](CC[S@](C)=O)N1C(=O)c2ccccc2C1=O ZINC000004087932 181070892 /nfs/dbraw/zinc/07/08/92/181070892.db2.gz DGMCKCSWJWXVQK-WIUDPPPLSA-N 0 0 309.343 0.593 50 0 DCAARN Cn1c(SCc2cccnc2)nc2c1n(C)c(=O)n(C)c2=O ZINC000004304080 181095158 /nfs/dbraw/zinc/09/51/58/181095158.db2.gz WLEOLYQOBLJSPQ-UHFFFAOYSA-N 0 0 317.374 0.658 50 0 DCAARN CCN1CCN(CC(=O)N2CCc3ccccc32)C(=O)C1=O ZINC000004326234 181097968 /nfs/dbraw/zinc/09/79/68/181097968.db2.gz YQJHCHFHZICXHS-UHFFFAOYSA-N 0 0 301.346 0.266 50 0 DCAARN O=C(COC(=O)C1=NNC(=O)CC1)N1CCCc2ccccc21 ZINC000004349113 181101011 /nfs/dbraw/zinc/10/10/11/181101011.db2.gz MLLANPWEUVXTOX-UHFFFAOYSA-N 0 0 315.329 0.775 50 0 DCAARN O=C(COC(=O)C1=NNC(=O)CC1)Nc1ccc2c(c1)OCO2 ZINC000004349063 181101442 /nfs/dbraw/zinc/10/14/42/181101442.db2.gz SJJYKPRRBHXYQX-UHFFFAOYSA-N 0 0 319.273 0.163 50 0 DCAARN CC1(C)NC(=O)N(CC(=O)OCC(=O)c2cccs2)C1=O ZINC000004361439 181102341 /nfs/dbraw/zinc/10/23/41/181102341.db2.gz LHFOOEZRORESLT-UHFFFAOYSA-N 0 0 310.331 0.804 50 0 DCAARN O=C(NCCOc1cccc2ccccc21)C(CO)(CO)CO ZINC000004524405 181120193 /nfs/dbraw/zinc/12/01/93/181120193.db2.gz VUWIIKMWKRSLDB-UHFFFAOYSA-N 0 0 319.357 0.298 50 0 DCAARN CN(C)S(=O)(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004497780 181115938 /nfs/dbraw/zinc/11/59/38/181115938.db2.gz SQCKDROWZQHXNM-JTQLQIEISA-N 0 0 301.343 0.327 50 0 DCAARN COc1ccc(N2C[C@@H](C(=O)N3CCOCC3)CC2=O)cc1 ZINC000004502959 181116261 /nfs/dbraw/zinc/11/62/61/181116261.db2.gz NRJKHVCEHPULNZ-LBPRGKRZSA-N 0 0 304.346 0.907 50 0 DCAARN COc1cc(NC(=O)C[C@H]2NCCNC2=O)cc(OC)c1OC ZINC000004511193 181117569 /nfs/dbraw/zinc/11/75/69/181117569.db2.gz MJAXVVAUPCUCAO-SNVBAGLBSA-N 0 0 323.349 0.129 50 0 DCAARN COc1ccc(CCNC(=O)C(=O)NC[C@H]2CCCO2)cc1 ZINC000004703043 181139682 /nfs/dbraw/zinc/13/96/82/181139682.db2.gz TWXIEZLWQQYBBX-CQSZACIVSA-N 0 0 306.362 0.649 50 0 biogenic DCAARN CCCS(=O)(=O)N1CCC[C@H](C(=O)NCC(OC)OC)C1 ZINC000004712345 181141183 /nfs/dbraw/zinc/14/11/83/181141183.db2.gz XPDQTFZWILVNRS-NSHDSACASA-N 0 0 322.427 0.173 50 0 DCAARN CC(C)NC(=O)N[C@H]1[C@H](NC(=O)NC(C)C)N(C)C(=O)N1C ZINC000004802744 181152932 /nfs/dbraw/zinc/15/29/32/181152932.db2.gz QADUZHOMNVUIAR-NXEZZACHSA-N 0 0 314.390 0.051 50 0 DCAARN CCCNS(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2 ZINC000004941045 181176394 /nfs/dbraw/zinc/17/63/94/181176394.db2.gz SJSJIHLLGHXOLI-UHFFFAOYSA-N 0 0 314.363 0.475 50 0 DCAARN Cc1cc(NC(=O)COC(=O)[C@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)no1 ZINC000004942392 181176864 /nfs/dbraw/zinc/17/68/64/181176864.db2.gz WWQCLVLBDLKRQQ-BGYSENGCSA-N 0 0 320.301 0.662 50 0 DCAARN C[C@]1(C2CCN(C(=O)NC[C@H]3CCCO3)CC2)NC(=O)NC1=O ZINC000075106746 191418446 /nfs/dbraw/zinc/41/84/46/191418446.db2.gz CCVFDOWPMBYDBD-IAQYHMDHSA-N 0 0 324.381 0.185 50 0 DCAARN COc1ccc(C(=O)Nc2cc(N3CCOCC3)ncn2)nn1 ZINC000075166270 191438348 /nfs/dbraw/zinc/43/83/48/191438348.db2.gz PROPDGWCZRIQLI-UHFFFAOYSA-N 0 0 316.321 0.364 50 0 DCAARN OC[C@H]1O[C@@H](Oc2cccc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O ZINC000005234418 181219212 /nfs/dbraw/zinc/21/92/12/181219212.db2.gz CVAOQMBKGUKOIZ-IBEHDNSVSA-N 0 0 306.314 0.019 50 0 DCAARN Cc1sc2ncn(CC(=O)N3CCNC3=O)c(=O)c2c1C ZINC000005319509 181228950 /nfs/dbraw/zinc/22/89/50/181228950.db2.gz MQQYXKMQRWGDLN-UHFFFAOYSA-N 0 0 306.347 0.627 50 0 DCAARN CCN(CCNC(=O)N1CCNC(=O)C1)c1ccccc1C ZINC000080021152 191993899 /nfs/dbraw/zinc/99/38/99/191993899.db2.gz VIAXJWDWUFVYKJ-UHFFFAOYSA-N 0 0 304.394 0.963 50 0 DCAARN NC(=O)c1ccc(N2CCn3c(nnc3-c3ccccc3)C2)nn1 ZINC000075055795 283379908 /nfs/dbraw/zinc/37/99/08/283379908.db2.gz QMXSIJKWPNNYMB-UHFFFAOYSA-N 0 0 321.344 0.854 50 0 DCAARN Cc1cncc(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000189771498 200449609 /nfs/dbraw/zinc/44/96/09/200449609.db2.gz XIADMEDULMQHJI-HNNXBMFYSA-N 0 0 309.435 0.695 50 0 DCAARN CCc1cc(=O)[nH]c(-c2ccc(N3CCN(C)C(=O)C3)nc2)n1 ZINC000156630927 291225547 /nfs/dbraw/zinc/22/55/47/291225547.db2.gz JDKKEMDTWLCPDA-UHFFFAOYSA-N 0 0 313.361 0.673 50 0 DCAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cc(=O)[nH]c(=O)[nH]2)[C@@H]1C ZINC000006049247 181308460 /nfs/dbraw/zinc/30/84/60/181308460.db2.gz NHELRXVCDFDFDQ-BBBLOLIVSA-N 0 0 323.349 0.161 50 0 DCAARN Cc1ccc(N2C[C@H](C(=O)OCC(=O)NC(N)=O)CC2=O)cc1 ZINC000006081632 181311411 /nfs/dbraw/zinc/31/14/11/181311411.db2.gz XRCGDVIQROFWFR-SNVBAGLBSA-N 0 0 319.317 0.086 50 0 DCAARN C[C@@H](NC(=O)[C@H]1CNC(=O)N1)c1nc(-c2ccc(F)cc2)no1 ZINC000089913667 192904482 /nfs/dbraw/zinc/90/44/82/192904482.db2.gz UAMFINACYAIVGI-GMSGAONNSA-N 0 0 319.296 0.734 50 0 DCAARN CNC(=O)c1nc(CN(C)Cc2noc(CC(C)C)n2)no1 ZINC000244828594 202500166 /nfs/dbraw/zinc/50/01/66/202500166.db2.gz TZBACELOJNMIAL-UHFFFAOYSA-N 0 0 308.342 0.643 50 0 DCAARN CCOC(=O)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000006497450 181345560 /nfs/dbraw/zinc/34/55/60/181345560.db2.gz DKAPKOSBJGTIEI-UHFFFAOYSA-N 0 0 312.303 0.104 50 0 DCAARN Cn1cc([C@@H](NC(=O)CCN2CCCO2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244898827 202507866 /nfs/dbraw/zinc/50/78/66/202507866.db2.gz ZCEKOORIDIDBAK-LNSITVRQSA-N 0 0 308.382 0.376 50 0 DCAARN Cn1cc([C@H](NC(=O)CCN2CCCO2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244898828 202507934 /nfs/dbraw/zinc/50/79/34/202507934.db2.gz ZCEKOORIDIDBAK-OSAQELSMSA-N 0 0 308.382 0.376 50 0 DCAARN O=C(Cn1cnnn1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000006648585 181365419 /nfs/dbraw/zinc/36/54/19/181365419.db2.gz HBGGFSUSSZDWKQ-UHFFFAOYSA-N 0 0 304.701 0.546 50 0 DCAARN COc1ccc(CNC(=O)CSc2nc(N)n[nH]2)cc1OC ZINC000006679089 181369429 /nfs/dbraw/zinc/36/94/29/181369429.db2.gz PNLBNWNLELQWQX-UHFFFAOYSA-N 0 0 323.378 0.813 50 0 DCAARN CS(=O)(=O)c1ccc(C(=O)CSc2nc(N)n[nH]2)cc1 ZINC000006879806 181399739 /nfs/dbraw/zinc/39/97/39/181399739.db2.gz UPBWXQAAVQYFHA-UHFFFAOYSA-N 0 0 312.376 0.765 50 0 DCAARN Cc1ncoc1C(=O)N[C@H]1CN(S(C)(=O)=O)C[C@@H]1C(C)C ZINC000091452419 193058710 /nfs/dbraw/zinc/05/87/10/193058710.db2.gz KCNDBRDSENZKOV-MNOVXSKESA-N 0 0 315.395 0.629 50 0 DCAARN Cc1nc(C)n(CCNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)n1 ZINC000091562919 193073151 /nfs/dbraw/zinc/07/31/51/193073151.db2.gz UVYPJRIBTYCVNU-LBPRGKRZSA-N 0 0 307.398 0.658 50 0 DCAARN CC(C)Oc1cc(N2CC[C@@]3(C2)CCCNC3=O)nc(N)n1 ZINC000091645507 193084648 /nfs/dbraw/zinc/08/46/48/193084648.db2.gz CXNCNWQAECOHTP-OAHLLOKOSA-N 0 0 305.382 0.953 50 0 DCAARN CC(=O)N1CCC[C@H](C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000091645895 193084785 /nfs/dbraw/zinc/08/47/85/193084785.db2.gz SMBPBOBNTHQSCD-AWEZNQCLSA-N 0 0 318.377 0.186 50 0 DCAARN CC(C)Cc1cc(CNC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)no1 ZINC000091664314 193087398 /nfs/dbraw/zinc/08/73/98/193087398.db2.gz FBHVMNXIOZBNJX-LBPRGKRZSA-N 0 0 322.365 0.772 50 0 DCAARN CN1C(=O)[C@@H](CC(=O)N2CCc3ncccc3C2)N(C)C1=O ZINC000091713013 193095964 /nfs/dbraw/zinc/09/59/64/193095964.db2.gz WMGOMOKTCNOERX-GFCCVEGCSA-N 0 0 302.334 0.249 50 0 DCAARN CC[C@@H](NC(=O)CN1CCC(C(N)=O)CC1)c1nc(C)no1 ZINC000091746259 193101294 /nfs/dbraw/zinc/10/12/94/193101294.db2.gz CCXOGTXVVOZQDR-LLVKDONJSA-N 0 0 309.370 0.143 50 0 DCAARN COC[C@]1(O)CCN(C(=O)Cc2cnc(C)[nH]c2=O)CC1(C)C ZINC000091636111 193082246 /nfs/dbraw/zinc/08/22/46/193082246.db2.gz ZQEOFDPWQRQHSE-MRXNPFEDSA-N 0 0 323.393 0.257 50 0 DCAARN O=C(NCCc1c[nH]cn1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000091754787 193102606 /nfs/dbraw/zinc/10/26/06/193102606.db2.gz RJQLYWVTVNCOJT-GFCCVEGCSA-N 0 0 313.361 0.512 50 0 DCAARN Cc1nc2c(s1)CCC[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000091807010 193111092 /nfs/dbraw/zinc/11/10/92/193111092.db2.gz GBBHNBZJAWENDE-QMMMGPOBSA-N 0 0 308.363 0.497 50 0 DCAARN Cc1nc(=O)[nH]c(C)c1CCC(=O)N1C[C@@H](C)[C@](O)(C2CC2)C1 ZINC000091974111 193134875 /nfs/dbraw/zinc/13/48/75/193134875.db2.gz YKLOFYGUOYYSFK-QGHHPUGFSA-N 0 0 319.405 0.939 50 0 DCAARN COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cn1nccc1C)C2 ZINC000091997637 193138930 /nfs/dbraw/zinc/13/89/30/193138930.db2.gz AGQWMQBZIFYHRE-UONOGXRCSA-N 0 0 320.393 0.287 50 0 DCAARN Cn1cccc(C(=O)NCCC(=O)NC2CCCCC2)c1=O ZINC000215153368 201453898 /nfs/dbraw/zinc/45/38/98/201453898.db2.gz NKICHGMIOHRNML-UHFFFAOYSA-N 0 0 305.378 0.954 50 0 DCAARN CNC(=O)c1[nH]nc2c1CN(C(=O)c1ccc(OC)o1)CC2 ZINC000219515603 201558271 /nfs/dbraw/zinc/55/82/71/201558271.db2.gz JOKYTJCBXVBXRS-UHFFFAOYSA-N 0 0 304.306 0.569 50 0 DCAARN Cc1n[nH]c(C)c1CC(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 ZINC000219613542 201560424 /nfs/dbraw/zinc/56/04/24/201560424.db2.gz PMTSLONDZQBLSI-AXAPSJFSSA-N 0 0 317.393 0.931 50 0 DCAARN O=C(Cc1ccsc1)N1CCN(CCn2cncn2)CC1 ZINC000222738878 201621950 /nfs/dbraw/zinc/62/19/50/201621950.db2.gz FZPIPTYYCFOKFC-UHFFFAOYSA-N 0 0 305.407 0.727 50 0 DCAARN COC[C@@H]1[C@H](NC(=O)Cn2nc3ccccc3n2)[C@@H]2CCO[C@H]12 ZINC000222850365 201624870 /nfs/dbraw/zinc/62/48/70/201624870.db2.gz BFWDCQNWRVPIJA-TZCMFKBTSA-N 0 0 316.361 0.597 50 0 DCAARN Cn1ccc2cc([C@@H](O)CNC(=O)N3CCNC3=O)ccc21 ZINC000252492549 202847661 /nfs/dbraw/zinc/84/76/61/202847661.db2.gz MPAGDYYIDKILKY-ZDUSSCGKSA-N 0 0 302.334 0.947 50 0 DCAARN Cc1nc(C(=O)NC2(C)Cc3ccccc3C2)nn1-c1nc[nH]n1 ZINC000253417997 202877781 /nfs/dbraw/zinc/87/77/81/202877781.db2.gz CWBGSQRSHYQEGP-UHFFFAOYSA-N 0 0 323.360 0.981 50 0 DCAARN CCCn1c([O-])c([C@@H]2[NH2+]CCc3ccccc32)c(=O)[nH]c1=O ZINC000020567684 284127736 /nfs/dbraw/zinc/12/77/36/284127736.db2.gz YPBRTCKFSSBNMX-CYBMUJFWSA-N 0 0 301.346 0.887 50 0 DCAARN CC(C)(C)NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000007675937 181485618 /nfs/dbraw/zinc/48/56/18/181485618.db2.gz VHZVCESDLLIACE-UHFFFAOYSA-N 0 0 303.318 0.995 50 0 DCAARN CCCNC(=O)[C@H](C)NC(=O)CNC(=O)COc1ccccc1 ZINC000007627429 181480527 /nfs/dbraw/zinc/48/05/27/181480527.db2.gz ARTLNEATTDSNQM-LBPRGKRZSA-N 0 0 321.377 0.213 50 0 DCAARN Cn1nc(N2CCC(C(=O)Nc3ncccn3)CC2)ccc1=O ZINC000096119213 193544542 /nfs/dbraw/zinc/54/45/42/193544542.db2.gz SFAHCQNGTIMRBR-UHFFFAOYSA-N 0 0 314.349 0.425 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)/C=C\c2cccnc2)C1 ZINC000096166173 193559171 /nfs/dbraw/zinc/55/91/71/193559171.db2.gz LEOVIERDXNOWKL-FMFIFOJESA-N 0 0 309.391 0.635 50 0 DCAARN CCN(C[C@@H]1CCN(S(=O)(=O)N(C)C)C1)CC(F)(F)F ZINC000096449252 193651117 /nfs/dbraw/zinc/65/11/17/193651117.db2.gz XVNKVSBPJQTUKB-JTQLQIEISA-N 0 0 317.377 0.999 50 0 DCAARN C[C@@H]1CCCN(C(=O)Cn2nnn(-c3ccccc3)c2=O)C1 ZINC000008251140 181540167 /nfs/dbraw/zinc/54/01/67/181540167.db2.gz BKFJARWFXYXXCU-GFCCVEGCSA-N 0 0 301.350 0.688 50 0 DCAARN O=C(NCc1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000008394095 181554007 /nfs/dbraw/zinc/55/40/07/181554007.db2.gz ZFHNHXALHCEIQS-UHFFFAOYSA-N 0 0 317.370 0.800 50 0 DCAARN O=C1c2ccccc2S(=O)(=O)N1CCSc1nc[nH]n1 ZINC000011340733 181689186 /nfs/dbraw/zinc/68/91/86/181689186.db2.gz FNIWCHSGCHWLRK-UHFFFAOYSA-N 0 0 310.360 0.742 50 0 DCAARN CC(=O)N1CCN(C(=O)c2cc(C)nc3c2c(C)nn3C)CC1 ZINC000012768269 181795378 /nfs/dbraw/zinc/79/53/78/181795378.db2.gz DFEDEJQSQXPFNN-UHFFFAOYSA-N 0 0 315.377 0.889 50 0 DCAARN CCCCNC(=O)C(=O)NC[C@H](O)COc1ccc(C)cc1 ZINC000012892841 181807719 /nfs/dbraw/zinc/80/77/19/181807719.db2.gz YPCVYEOZOXMVJT-ZDUSSCGKSA-N 0 0 308.378 0.767 50 0 DCAARN CC[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOC ZINC000013534659 181859407 /nfs/dbraw/zinc/85/94/07/181859407.db2.gz VADICTACBKOWSB-QMMMGPOBSA-N 0 0 312.395 0.960 50 0 DCAARN COCCNC(=O)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O ZINC000014170301 181932746 /nfs/dbraw/zinc/93/27/46/181932746.db2.gz IQLWZAMYKRJLPD-NSHDSACASA-N 0 0 305.334 0.606 50 0 DCAARN C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3F)CN2C1=O ZINC000014746724 181969202 /nfs/dbraw/zinc/96/92/02/181969202.db2.gz GRZDCHXTDKKZAF-PTRXPTGYSA-N 0 0 320.324 0.435 50 0 DCAARN COc1cc([C@H]2ON=C(C(N)=O)[C@H]2C)c(OC)c2c1OCO2 ZINC000015081606 181987890 /nfs/dbraw/zinc/98/78/90/181987890.db2.gz GQCSZFIIOQVORT-LDWIPMOCSA-N 0 0 308.290 0.981 50 0 DCAARN CN1CCN(C(=O)CN(c2ccccc2)S(C)(=O)=O)CC1 ZINC000015821474 182018802 /nfs/dbraw/zinc/01/88/02/182018802.db2.gz NYVBNPFCQFLOSM-UHFFFAOYSA-N 0 0 311.407 0.227 50 0 DCAARN COCCN1C(=S)N=NC1[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000017055410 182072870 /nfs/dbraw/zinc/07/28/70/182072870.db2.gz KITWTQWEWJMXJZ-VIFPVBQESA-N 0 0 320.440 0.352 50 0 DCAARN COc1ccc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cn1 ZINC000017296416 182081642 /nfs/dbraw/zinc/08/16/42/182081642.db2.gz NLUOLJVPHSUTKJ-VXGBXAGGSA-N 0 0 315.329 0.980 50 0 DCAARN Cc1nnc(NC(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)s1 ZINC000017951926 182087962 /nfs/dbraw/zinc/08/79/62/182087962.db2.gz TYJGEKQHBVKIAD-UHFFFAOYSA-N 0 0 323.363 0.949 50 0 DCAARN CCOC(=O)C1=C(COC(=O)c2c(C)noc2C)NC(=O)NC1 ZINC000018333224 182101542 /nfs/dbraw/zinc/10/15/42/182101542.db2.gz YRASBPWJMNLESE-UHFFFAOYSA-N 0 0 323.305 0.578 50 0 DCAARN COc1cccc(OC[C@@H](O)CN2CCN(CCO)CC2)c1 ZINC000019367378 182120236 /nfs/dbraw/zinc/12/02/36/182120236.db2.gz KJHOZTGNZMVAGW-AWEZNQCLSA-N 0 0 310.394 0.045 50 0 DCAARN COc1ccc(N2C(=O)C[C@@H](N3CCN(C)CC3)C2=O)cc1 ZINC000019313465 182114162 /nfs/dbraw/zinc/11/41/62/182114162.db2.gz GZQUZHSNIKHHNE-CQSZACIVSA-N 0 0 303.362 0.575 50 0 DCAARN COc1ccccc1NC(=O)C(=O)NCCCN1CCOCC1 ZINC000019312342 182114214 /nfs/dbraw/zinc/11/42/14/182114214.db2.gz DZLDVYYDSYCXAK-UHFFFAOYSA-N 0 0 321.377 0.472 50 0 DCAARN COc1ccc(N2C(=O)C[C@@H](N3CCN(C=O)CC3)C2=O)cc1 ZINC000019782533 182148570 /nfs/dbraw/zinc/14/85/70/182148570.db2.gz KWHRLUYHCHGSLR-CQSZACIVSA-N 0 0 317.345 0.101 50 0 DCAARN O=C(/C=C/c1ccc2c(c1)OCO2)NCCN1CCOCC1 ZINC000019792329 182150111 /nfs/dbraw/zinc/15/01/11/182150111.db2.gz AYGQSCSPVOICSJ-DUXPYHPUSA-N 0 0 304.346 0.877 50 0 DCAARN C[C@@H](OCC(F)(F)F)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042882188 296205727 /nfs/dbraw/zinc/20/57/27/296205727.db2.gz PVIKUVKEMCUBPK-HTQZYQBOSA-N 0 0 303.302 0.599 50 0 DCAARN CC(NCC[NH+](C)C)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000020334679 182209230 /nfs/dbraw/zinc/20/92/30/182209230.db2.gz DIJOQGNBUSNFLD-ACCUITESSA-N 0 0 322.409 0.823 50 0 DCAARN CCc1ccccc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O ZINC000020489223 182223825 /nfs/dbraw/zinc/22/38/25/182223825.db2.gz OXPGYMBMZPZDBE-UHFFFAOYSA-N 0 0 309.347 0.735 50 0 DCAARN CSc1ncc(Cl)c(C(=O)NCCN2CCOCC2)n1 ZINC000020661118 182241826 /nfs/dbraw/zinc/24/18/26/182241826.db2.gz LTZHHNLCFQBKQD-UHFFFAOYSA-N 0 0 316.814 0.914 50 0 DCAARN CCN1C[C@H](NC(=O)c2cnc3ccccn3c2=O)CC1=O ZINC000020858140 182249617 /nfs/dbraw/zinc/24/96/17/182249617.db2.gz XISXNKCAQLZGCK-SNVBAGLBSA-N 0 0 300.318 0.045 50 0 DCAARN CC[C@H](C)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000020886866 182251535 /nfs/dbraw/zinc/25/15/35/182251535.db2.gz WQRFPEWZVWEUNO-ZDUSSCGKSA-N 0 0 315.373 0.973 50 0 DCAARN COc1cc2c(cc1OC)CN(C(=O)CN1CCOCC1)CC2 ZINC000020940070 182256263 /nfs/dbraw/zinc/25/62/63/182256263.db2.gz CUVOEEGVXDVMEA-UHFFFAOYSA-N 0 0 320.389 0.921 50 0 DCAARN C[C@@H](O)c1nc(C2CCOCC2)nn1-c1ccc2nncn2n1 ZINC000097757987 193754307 /nfs/dbraw/zinc/75/43/07/193754307.db2.gz NMWQSCNCZPIEQU-SECBINFHSA-N 0 0 315.337 0.652 50 0 DCAARN O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccccn1 ZINC000021325375 182272323 /nfs/dbraw/zinc/27/23/23/182272323.db2.gz USNMMUFAGUWPEA-UHFFFAOYSA-N 0 0 310.313 0.401 50 0 DCAARN O=C(Cn1nnc2ccccc2c1=O)NCCc1ccccn1 ZINC000021774945 182287614 /nfs/dbraw/zinc/28/76/14/182287614.db2.gz XWNVKBXDQNQMIO-UHFFFAOYSA-N 0 0 309.329 0.545 50 0 DCAARN NC(=O)C1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 ZINC000021974478 182301213 /nfs/dbraw/zinc/30/12/13/182301213.db2.gz JCOXIEBALHCURL-UHFFFAOYSA-N 0 0 304.318 0.851 50 0 DCAARN O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1nnc2n1CCC2 ZINC000022190786 182312758 /nfs/dbraw/zinc/31/27/58/182312758.db2.gz BGYKANKINQAKBM-UHFFFAOYSA-N 0 0 324.344 0.320 50 0 DCAARN O=C1OCC[C@H]1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022929870 182342671 /nfs/dbraw/zinc/34/26/71/182342671.db2.gz WLILDUWFMAVEEE-CYBMUJFWSA-N 0 0 304.346 0.848 50 0 DCAARN CCn1cccc(-c2nnc(SCC(=O)NC)n2C)c1=O ZINC000023136376 182350295 /nfs/dbraw/zinc/35/02/95/182350295.db2.gz AZTKIEKCVMJXMP-UHFFFAOYSA-N 0 0 307.379 0.502 50 0 DCAARN CC(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 ZINC000023134373 182350226 /nfs/dbraw/zinc/35/02/26/182350226.db2.gz OIRIYVRMMHTSGE-UHFFFAOYSA-N 0 0 304.329 0.466 50 0 DCAARN Cn1cc(N2CCN(Cc3nnsc3Cl)CC2=O)cn1 ZINC000098018841 193774803 /nfs/dbraw/zinc/77/48/03/193774803.db2.gz MEOHYWLJZIVXGV-UHFFFAOYSA-N 0 0 312.786 0.774 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(C)sc1C ZINC000025023423 182399872 /nfs/dbraw/zinc/39/98/72/182399872.db2.gz DKNJMFWLYVSTRC-LLVKDONJSA-N 0 0 310.375 0.869 50 0 DCAARN Cc1nn(C)c(C)c1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000025169139 182403776 /nfs/dbraw/zinc/40/37/76/182403776.db2.gz WYKQHUPPPMTRPL-UHFFFAOYSA-N 0 0 304.394 0.660 50 0 DCAARN C[C@H]1CN(C(=O)CNc2cccc(-c3nnnn3C)c2)CCO1 ZINC000025705733 182420431 /nfs/dbraw/zinc/42/04/31/182420431.db2.gz FGDWIUFSWAWUOT-NSHDSACASA-N 0 0 316.365 0.536 50 0 DCAARN Cc1noc(CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)n1 ZINC000027893775 182496615 /nfs/dbraw/zinc/49/66/15/182496615.db2.gz JEMMWJXJROSVCH-QMMMGPOBSA-N 0 0 308.363 0.977 50 0 DCAARN C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)[C@H]1CCCO1 ZINC000027881642 182494864 /nfs/dbraw/zinc/49/48/64/182494864.db2.gz ZTHIZTQIQYMDCV-GXFFZTMASA-N 0 0 302.334 0.475 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 ZINC000029202373 182555530 /nfs/dbraw/zinc/55/55/30/182555530.db2.gz RMXQKGNYVKDNHY-VXGBXAGGSA-N 0 0 304.412 0.486 50 0 DCAARN C[C@@H]1CCCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000029299293 182559138 /nfs/dbraw/zinc/55/91/38/182559138.db2.gz QLCNFLVIGZUYPS-SNVBAGLBSA-N 0 0 316.361 0.504 50 0 DCAARN O=C([C@H]1CCOc2ccccc2C1)N1CCS(=O)(=O)CC1 ZINC000096167085 284568322 /nfs/dbraw/zinc/56/83/22/284568322.db2.gz CPWKULQVNORPFP-ZDUSSCGKSA-N 0 0 309.387 0.885 50 0 DCAARN Cc1cc(=O)n(CC(=O)NC2CCCC2)c(N2CCOCC2)n1 ZINC000049411137 291656826 /nfs/dbraw/zinc/65/68/26/291656826.db2.gz BNZNSTKZCWPUAH-UHFFFAOYSA-N 0 0 320.393 0.447 50 0 DCAARN CCN(CCn1cccn1)c1nc2nonc2nc1N(C)C ZINC000039364538 183017636 /nfs/dbraw/zinc/01/76/36/183017636.db2.gz ISJFIVPKDBNOSX-UHFFFAOYSA-N 0 0 302.342 0.802 50 0 DCAARN Cn1cc(/C=C/C(=O)N2CCC(NC(=O)C3CC3)CC2)cn1 ZINC000040090969 183033766 /nfs/dbraw/zinc/03/37/66/183033766.db2.gz OATYFEUBLBLBQO-GORDUTHDSA-N 0 0 302.378 0.951 50 0 DCAARN COC(=O)c1cccc(S(=O)(=O)NCCc2cnn(C)c2)c1 ZINC000040135488 183039209 /nfs/dbraw/zinc/03/92/09/183039209.db2.gz CMERFRQVUVJKMM-UHFFFAOYSA-N 0 0 323.374 0.728 50 0 DCAARN NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1F ZINC000040460259 183069935 /nfs/dbraw/zinc/06/99/35/183069935.db2.gz CMVALXOTQGXOFA-SNVBAGLBSA-N 0 0 304.318 0.993 50 0 DCAARN CCOC(=O)N1CCN(C(=O)CCNC(=O)c2ccco2)CC1 ZINC000040459664 183070192 /nfs/dbraw/zinc/07/01/92/183070192.db2.gz OMCJGXYVBFLVTD-UHFFFAOYSA-N 0 0 323.349 0.700 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000040468130 183073432 /nfs/dbraw/zinc/07/34/32/183073432.db2.gz XBGYNBCWFZNIGI-ZDUSSCGKSA-N 0 0 314.382 0.908 50 0 DCAARN O=C([C@H]1CCCN(Cc2nnnn2C2CC2)C1)N1CCOCC1 ZINC000040494071 183080310 /nfs/dbraw/zinc/08/03/10/183080310.db2.gz SVGMPTJEZSPJTH-LBPRGKRZSA-N 0 0 320.397 0.079 50 0 DCAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC000040506246 183085353 /nfs/dbraw/zinc/08/53/53/183085353.db2.gz QKXHBXGXJPZXRF-NWDGAFQWSA-N 0 0 304.346 0.763 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000040509316 183085945 /nfs/dbraw/zinc/08/59/45/183085945.db2.gz GXQISEURYCHRJT-RYUDHWBXSA-N 0 0 322.386 0.343 50 0 DCAARN COc1ccc(OC)c([C@@H](O)CNC(=O)c2ccc(=O)[nH]c2)c1 ZINC000040514153 183088817 /nfs/dbraw/zinc/08/88/17/183088817.db2.gz FWZDCAVQLQRWPM-ZDUSSCGKSA-N 0 0 318.329 0.856 50 0 DCAARN NC(=O)c1ccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)cc1 ZINC000040525012 183091395 /nfs/dbraw/zinc/09/13/95/183091395.db2.gz CCOLFBWNDRIKGL-NSHDSACASA-N 0 0 324.402 0.975 50 0 DCAARN O=C(NCCNc1ncccn1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000040535557 183095356 /nfs/dbraw/zinc/09/53/56/183095356.db2.gz OHNYMIISJNORAY-ZDUSSCGKSA-N 0 0 312.329 0.786 50 0 DCAARN CCc1noc(CN2CCC(NC(=O)c3cnn(C)c3)CC2)n1 ZINC000040540605 183096857 /nfs/dbraw/zinc/09/68/57/183096857.db2.gz MRXSQSRZGCWJOO-UHFFFAOYSA-N 0 0 318.381 0.760 50 0 DCAARN C[C@@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)c1nncn1C ZINC000040539994 183097362 /nfs/dbraw/zinc/09/73/62/183097362.db2.gz GOBKPIBYMUQOPU-ZJUUUORDSA-N 0 0 300.384 0.284 50 0 DCAARN COc1ncccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000040541643 183097674 /nfs/dbraw/zinc/09/76/74/183097674.db2.gz BOWLPEBMAPSBTF-UHFFFAOYSA-N 0 0 313.379 0.700 50 0 DCAARN NS(=O)(=O)c1ccc(CNc2ncnc3n[nH]cc32)cc1 ZINC000041121202 183167579 /nfs/dbraw/zinc/16/75/79/183167579.db2.gz JGQKTBFPPAHSFQ-UHFFFAOYSA-N 0 0 304.335 0.612 50 0 DCAARN Cn1cc(CNC(=O)[C@]2(C)Oc3ccccc3NC2=O)cn1 ZINC000041545637 183201730 /nfs/dbraw/zinc/20/17/30/183201730.db2.gz BHSXRMUKKVDLQJ-HNNXBMFYSA-N 0 0 300.318 0.826 50 0 DCAARN Cc1nn(C)c(Cl)c1C(=O)NCCCN(C)S(C)(=O)=O ZINC000041949938 183226943 /nfs/dbraw/zinc/22/69/43/183226943.db2.gz FTKPWCATRMNAOW-UHFFFAOYSA-N 0 0 322.818 0.393 50 0 DCAARN Cc1nn(C)c(C)c1CC(=O)NCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000042032485 183230122 /nfs/dbraw/zinc/23/01/22/183230122.db2.gz ZGEXODRXBMNSMY-TXEJJXNPSA-N 0 0 308.426 0.805 50 0 DCAARN O=C1COc2ccc(S(=O)(=O)NCCn3ccnc3)cc2N1 ZINC000042626455 183292209 /nfs/dbraw/zinc/29/22/09/183292209.db2.gz IBQQUTGLXRAPAY-UHFFFAOYSA-N 0 0 322.346 0.193 50 0 DCAARN Cc1ccc([C@H](C)NC(=O)N2CCN(S(C)(=O)=O)CC2)o1 ZINC000043723242 183383371 /nfs/dbraw/zinc/38/33/71/183383371.db2.gz HVFVTAMQHFSVTO-NSHDSACASA-N 0 0 315.395 0.936 50 0 DCAARN COC(=O)N1CCC(CNC(=O)C(=O)NCc2ccco2)CC1 ZINC000043941795 183390512 /nfs/dbraw/zinc/39/05/12/183390512.db2.gz UYOMAKGPJWUVFU-UHFFFAOYSA-N 0 0 323.349 0.490 50 0 DCAARN O=C(NCCNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C1CC1 ZINC000043944891 183390794 /nfs/dbraw/zinc/39/07/94/183390794.db2.gz LFNBADIOGVZHMT-GFCCVEGCSA-N 0 0 319.361 0.271 50 0 DCAARN CC(=O)N1CCCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000044891842 183449449 /nfs/dbraw/zinc/44/94/49/183449449.db2.gz WQNMFDWKOBWJJF-HNNXBMFYSA-N 0 0 304.346 0.907 50 0 DCAARN Cc1nnc(COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)o1 ZINC000102591614 193898755 /nfs/dbraw/zinc/89/87/55/193898755.db2.gz AIMCLFJSQXGWPU-NXEZZACHSA-N 0 0 307.306 0.596 50 0 DCAARN CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1 ZINC000047671525 183601203 /nfs/dbraw/zinc/60/12/03/183601203.db2.gz MTTSQMPLJUEIAP-JTQLQIEISA-N 0 0 304.393 0.279 50 0 DCAARN C[C@H](Cn1cccn1)NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000106058176 194183194 /nfs/dbraw/zinc/18/31/94/194183194.db2.gz QFZSWKZZCVWCJR-IJLUTSLNSA-N 0 0 302.400 0.215 50 0 DCAARN CC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H]3CCOC3)ccc21 ZINC000048261936 183633535 /nfs/dbraw/zinc/63/35/35/183633535.db2.gz PSMVKHDIFUWSEW-LBPRGKRZSA-N 0 0 324.402 0.910 50 0 DCAARN Cc1noc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)n1 ZINC000048580590 183667517 /nfs/dbraw/zinc/66/75/17/183667517.db2.gz ZSESVWKRTCAEPR-LLVKDONJSA-N 0 0 302.400 0.672 50 0 DCAARN CCOC(=O)[C@@H](C)N1CCC[C@@H](C(=O)N(C)CCOC)C1 ZINC000106764078 194250978 /nfs/dbraw/zinc/25/09/78/194250978.db2.gz XWKCJHFLIQFWLJ-CHWSQXEVSA-N 0 0 300.399 0.755 50 0 DCAARN O=S1(=O)CC[C@H](Nc2cc(C(F)(F)F)nc3ncnn32)C1 ZINC000051282958 183821683 /nfs/dbraw/zinc/82/16/83/183821683.db2.gz MOTJWIGCDNHANV-LURJTMIESA-N 0 0 321.284 0.742 50 0 DCAARN COc1ccccc1N1C[C@@H](C(=O)NC(C)(C)C(N)=O)CC1=O ZINC000057050573 184025862 /nfs/dbraw/zinc/02/58/62/184025862.db2.gz NQYKAVYTROIOCS-JTQLQIEISA-N 0 0 319.361 0.428 50 0 DCAARN O=C(CNC(=O)[C@@H]1COc2ccccc2O1)NCC(F)(F)F ZINC000057007671 184024590 /nfs/dbraw/zinc/02/45/90/184024590.db2.gz SRYAMZPTTSCHBC-JTQLQIEISA-N 0 0 318.251 0.621 50 0 DCAARN CC(=O)N1CCN(C(=O)[C@@H](C)Nc2ccc3c(c2)OCO3)CC1 ZINC000057923283 184062288 /nfs/dbraw/zinc/06/22/88/184062288.db2.gz GSZXNVAXZXUZAU-LLVKDONJSA-N 0 0 319.361 0.906 50 0 DCAARN C[C@@H]1CCCN(C(=O)CN2C(=O)NC3(CCOCC3)C2=O)C1 ZINC000057947555 184063480 /nfs/dbraw/zinc/06/34/80/184063480.db2.gz YKLJKWFPCHAPJU-LLVKDONJSA-N 0 0 309.366 0.346 50 0 DCAARN CCNC(=O)NC(=O)[C@H](C)N(C)CC(=O)Nc1ccc(O)cc1 ZINC000058010936 184066808 /nfs/dbraw/zinc/06/68/08/184066808.db2.gz JDDYUCXERLDODT-JTQLQIEISA-N 0 0 322.365 0.497 50 0 DCAARN CCOC(=O)[C@@H](C)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000058014206 184067350 /nfs/dbraw/zinc/06/73/50/184067350.db2.gz IWDVRPYETBCKHS-GFCCVEGCSA-N 0 0 324.381 0.491 50 0 DCAARN CN(C)C(=O)CCNC(=O)c1cccc(N2CCNC2=O)c1 ZINC000058200776 184087200 /nfs/dbraw/zinc/08/72/00/184087200.db2.gz YRPQRNKSPMYAHE-UHFFFAOYSA-N 0 0 304.350 0.424 50 0 DCAARN COc1ccccc1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000058209376 184088172 /nfs/dbraw/zinc/08/81/72/184088172.db2.gz DFSPGDHFEZFMCC-NSHDSACASA-N 0 0 312.391 0.984 50 0 DCAARN CC1(C)COCCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000058223117 184090420 /nfs/dbraw/zinc/09/04/20/184090420.db2.gz QJFNQWVTCFAOPR-UHFFFAOYSA-N 0 0 316.361 0.819 50 0 DCAARN CCn1c2ccccc2n(Cc2nc(N)nc(N(C)C)n2)c1=O ZINC000058226608 184090976 /nfs/dbraw/zinc/09/09/76/184090976.db2.gz ISRLDSAPBUKRHZ-UHFFFAOYSA-N 0 0 313.365 0.704 50 0 DCAARN CCOc1ccc(NC(=O)CNC(=O)Cn2cncn2)cc1 ZINC000058230489 184091879 /nfs/dbraw/zinc/09/18/79/184091879.db2.gz WYLYURCCPTXGMT-UHFFFAOYSA-N 0 0 303.322 0.432 50 0 DCAARN C[C@@H](NC(=O)NCCNC(=O)C1CC1)C(=O)NCc1ccco1 ZINC000058364036 184109358 /nfs/dbraw/zinc/10/93/58/184109358.db2.gz SEJFCGAJJTYFBT-SNVBAGLBSA-N 0 0 322.365 0.110 50 0 DCAARN COC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000058379833 184110593 /nfs/dbraw/zinc/11/05/93/184110593.db2.gz BQPDNQKODHZRLM-STQMWFEESA-N 0 0 313.398 0.884 50 0 DCAARN CCNC(=O)NC(=O)CN1CCCC[C@H]1C(=O)N1CCCC1 ZINC000058264978 184095743 /nfs/dbraw/zinc/09/57/43/184095743.db2.gz PMCQXQGCLAXVJM-LBPRGKRZSA-N 0 0 310.398 0.309 50 0 DCAARN CN(CC(=O)NC1CC1)C(=O)CNC(=O)OCc1ccccc1 ZINC000058289947 184101136 /nfs/dbraw/zinc/10/11/36/184101136.db2.gz QUMZXIQBCTYBMY-UHFFFAOYSA-N 0 0 319.361 0.650 50 0 DCAARN O=C(NCCN1CCS(=O)(=O)CC1)c1ccc(Cl)o1 ZINC000058423912 184116362 /nfs/dbraw/zinc/11/63/62/184116362.db2.gz NCSAOWSJSOHNIP-UHFFFAOYSA-N 0 0 306.771 0.393 50 0 DCAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccnc1)NC1CCC1 ZINC000059314114 184136981 /nfs/dbraw/zinc/13/69/81/184136981.db2.gz VMZWDJWAXJPOFP-AWEZNQCLSA-N 0 0 302.378 0.441 50 0 DCAARN COc1ccccc1N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000059390137 184137953 /nfs/dbraw/zinc/13/79/53/184137953.db2.gz CLTAQOQILKYAQF-NSHDSACASA-N 0 0 312.391 0.435 50 0 DCAARN Cn1ccc(C(=O)NCc2noc(-c3ccco3)n2)cc1=O ZINC000062903072 184258933 /nfs/dbraw/zinc/25/89/33/184258933.db2.gz XWIXVRJLXUMMJQ-UHFFFAOYSA-N 0 0 300.274 0.958 50 0 DCAARN CC[C@@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)CCO1 ZINC000063734359 184287518 /nfs/dbraw/zinc/28/75/18/184287518.db2.gz BFLNBQHTBHMBQK-SNVBAGLBSA-N 0 0 304.354 0.427 50 0 DCAARN CCCNC(=O)CN1CCN(Cc2ccc(C)cc2)C(=O)C1=O ZINC000064888645 184305804 /nfs/dbraw/zinc/30/58/04/184305804.db2.gz UHFAZNCEZWNTML-UHFFFAOYSA-N 0 0 317.389 0.692 50 0 DCAARN CC[C@@H](C)NC(=O)Cn1c2cccnc2n2c(C)nnc2c1=O ZINC000065172947 184313544 /nfs/dbraw/zinc/31/35/44/184313544.db2.gz UUQOSDZPKXWWAS-SECBINFHSA-N 0 0 314.349 0.662 50 0 DCAARN CCOc1cc(=O)c(C(N)=O)nn1-c1cc(OC)cc(OC)c1 ZINC000065198092 184314202 /nfs/dbraw/zinc/31/42/02/184314202.db2.gz CUVPLZMBYXCSBQ-UHFFFAOYSA-N 0 0 319.317 0.747 50 0 DCAARN Cc1nc2n(c(=O)c1C)CCN2CC(=O)NCc1ccco1 ZINC000065288440 184323509 /nfs/dbraw/zinc/32/35/09/184323509.db2.gz SCRCAZQTKFGNND-UHFFFAOYSA-N 0 0 302.334 0.590 50 0 DCAARN COc1ncccc1NC(=O)NCCN1CCN(C(C)=O)CC1 ZINC000065394006 184334938 /nfs/dbraw/zinc/33/49/38/184334938.db2.gz XKKIZKJCBMYUHV-UHFFFAOYSA-N 0 0 321.381 0.376 50 0 DCAARN COCC(=O)N1CCC[C@@H](C(=O)N(C)CCn2ccnc2C)C1 ZINC000065408715 184339055 /nfs/dbraw/zinc/33/90/55/184339055.db2.gz WPWZNKOTAQZGCR-CQSZACIVSA-N 0 0 322.409 0.535 50 0 DCAARN CNc1snc(C)c1C(=O)NC1CCN(CC(N)=O)CC1 ZINC000065429184 184343696 /nfs/dbraw/zinc/34/36/96/184343696.db2.gz MDKZCUXRJHBYIZ-UHFFFAOYSA-N 0 0 311.411 0.173 50 0 DCAARN O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1cn[nH]c1 ZINC000065433704 184344054 /nfs/dbraw/zinc/34/40/54/184344054.db2.gz NHKNIDGUKJZDOB-WCQYABFASA-N 0 0 309.370 0.269 50 0 DCAARN COC(=O)CN1CCC(Nc2ncc(C)c(N(C)C)n2)CC1 ZINC000065435227 184344744 /nfs/dbraw/zinc/34/47/44/184344744.db2.gz KBCWVDURVWONET-UHFFFAOYSA-N 0 0 307.398 0.900 50 0 DCAARN CC(=O)N1CCN(CCNC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000065454323 184347449 /nfs/dbraw/zinc/34/74/49/184347449.db2.gz PFIITWHTUOIKQP-UHFFFAOYSA-N 0 0 321.425 0.601 50 0 DCAARN CN(C)c1ncnc2c1CN(CC(=O)Nc1nccs1)CC2 ZINC000065458324 184348196 /nfs/dbraw/zinc/34/81/96/184348196.db2.gz NBUHFEMGAZBGLV-UHFFFAOYSA-N 0 0 318.406 0.996 50 0 DCAARN Cc1nccn1CCN(C)c1nccc(N2CC[C@H](O)C2)n1 ZINC000065492351 184354449 /nfs/dbraw/zinc/35/44/49/184354449.db2.gz SNROZXAVZKLRTP-ZDUSSCGKSA-N 0 0 302.382 0.689 50 0 DCAARN O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC2(CC1)NC(=O)NC2=O ZINC000065488010 184352833 /nfs/dbraw/zinc/35/28/33/184352833.db2.gz VAMKNKSOHYFQME-QWHCGFSZSA-N 0 0 313.357 0.991 50 0 DCAARN CCN(CC)C(=O)CN(C)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000065610248 184373107 /nfs/dbraw/zinc/37/31/07/184373107.db2.gz KARRNGHQTHVHSG-LBPRGKRZSA-N 0 0 305.444 0.763 50 0 DCAARN CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc(=O)n(C)n1)CC2 ZINC000065538555 184362870 /nfs/dbraw/zinc/36/28/70/184362870.db2.gz RLNPQULUWKLFRD-JTQLQIEISA-N 0 0 316.365 0.240 50 0 DCAARN C[C@H](NC(=O)NCc1nnc2n1CCCCC2)c1nncn1C ZINC000065563864 184366858 /nfs/dbraw/zinc/36/68/58/184366858.db2.gz SKHAKHTUYVELHD-JTQLQIEISA-N 0 0 318.385 0.693 50 0 DCAARN COCCNC(=O)CN1CCCN(C(=O)OCC(C)C)CC1 ZINC000065565376 184366998 /nfs/dbraw/zinc/36/69/98/184366998.db2.gz DPDKQWHXXBLFPR-UHFFFAOYSA-N 0 0 315.414 0.549 50 0 DCAARN CC(=O)N1CCCN(C(=O)NCCCc2c[nH]nc2C)CC1 ZINC000065585857 184369014 /nfs/dbraw/zinc/36/90/14/184369014.db2.gz HWHIDSLAAWQXJR-UHFFFAOYSA-N 0 0 307.398 0.915 50 0 DCAARN CN(Cc1nnc2n1CCC2)C(=O)[C@H]1CC(=O)N(CC2CC2)C1 ZINC000065591367 184369744 /nfs/dbraw/zinc/36/97/44/184369744.db2.gz YVIPTFHZWFNFNS-LBPRGKRZSA-N 0 0 317.393 0.441 50 0 DCAARN CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000065605981 184371663 /nfs/dbraw/zinc/37/16/63/184371663.db2.gz KRHXQGYROKXPNH-MRVPVSSYSA-N 0 0 319.287 0.325 50 0 DCAARN COc1ccccc1[C@H](CNC(=O)C1=NNC(=O)CC1)N(C)C ZINC000065608290 184371923 /nfs/dbraw/zinc/37/19/23/184371923.db2.gz HWLBHUCVUFVYQI-ZDUSSCGKSA-N 0 0 318.377 0.680 50 0 DCAARN O=C(c1cc2n(n1)CCNC2)N1CCC[C@H]1Cn1cccn1 ZINC000065494237 184354927 /nfs/dbraw/zinc/35/49/27/184354927.db2.gz ZZMXSIJJCXRMNU-LBPRGKRZSA-N 0 0 300.366 0.488 50 0 DCAARN COC(=O)[C@H]1C[C@@H](O)CCN1CCn1c(=O)oc2ccccc21 ZINC000065501211 184355281 /nfs/dbraw/zinc/35/52/81/184355281.db2.gz CAMUPZIKSTXXDW-WCQYABFASA-N 0 0 320.345 0.593 50 0 DCAARN Nc1ncccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000067292159 184458952 /nfs/dbraw/zinc/45/89/52/184458952.db2.gz XBNVCLCXDQNTJK-UHFFFAOYSA-N 0 0 320.374 0.284 50 0 DCAARN Cc1c[nH]cc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c1=O ZINC000334018263 252784359 /nfs/dbraw/zinc/78/43/59/252784359.db2.gz KGPKYMHMWAGWAI-VIFPVBQESA-N 0 0 317.267 0.576 50 0 DCAARN COC(=O)C(C)(C)CS(=O)(=O)NCC(C)(C)CCCO ZINC000341562997 253394993 /nfs/dbraw/zinc/39/49/93/253394993.db2.gz GAMBCJHQRCXDRU-UHFFFAOYSA-N 0 0 309.428 0.904 50 0 DCAARN C[C@H](Nc1cccc(OCC(N)=O)c1)C(=O)N1CCOCC1 ZINC000028354371 256531086 /nfs/dbraw/zinc/53/10/86/256531086.db2.gz MFORNTMHELEOFX-NSHDSACASA-N 0 0 307.350 0.210 50 0 DCAARN Cn1nc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)ccc1=O ZINC000244691717 256605233 /nfs/dbraw/zinc/60/52/33/256605233.db2.gz JHZQZHRPHSQLOG-PGUXBMHVSA-N 0 0 314.345 0.417 50 0 DCAARN O=C(CCCn1cnnn1)Nc1n[nH]c(-c2cccs2)n1 ZINC000524733899 257213683 /nfs/dbraw/zinc/21/36/83/257213683.db2.gz AQNGANBGSTVWSK-UHFFFAOYSA-N 0 0 304.339 0.939 50 0 DCAARN COC(=O)c1nc(NC(=O)Cn2cnnn2)sc1CC(C)C ZINC000524732857 257214024 /nfs/dbraw/zinc/21/40/24/257214024.db2.gz VCNIUPUSAIEPNO-UHFFFAOYSA-N 0 0 324.366 0.753 50 0 DCAARN CS(=O)(=O)N1CCCc2cc(NC3=CC(=O)NC3)ccc21 ZINC000524732351 257214212 /nfs/dbraw/zinc/21/42/12/257214212.db2.gz RXDOAPBNVYKUHD-UHFFFAOYSA-N 0 0 307.375 0.824 50 0 DCAARN O=C(NCCn1ncnn1)c1ccc(Br)cc1O ZINC000380027452 257235492 /nfs/dbraw/zinc/23/54/92/257235492.db2.gz FOXHVWPEJKWBGW-UHFFFAOYSA-N 0 0 312.127 0.571 50 0 DCAARN COC(=O)CCNC(=O)COc1cnn(C)c1C(F)(F)F ZINC000521394953 257241049 /nfs/dbraw/zinc/24/10/49/257241049.db2.gz FFJMGYKNWQVYHN-UHFFFAOYSA-N 0 0 309.244 0.497 50 0 DCAARN Cn1nc(C(=O)N(CC[NH+](C)C)CC(=O)[O-])c2ccccc21 ZINC000318067112 257242049 /nfs/dbraw/zinc/24/20/49/257242049.db2.gz DDIWHBOXVXGUJR-UHFFFAOYSA-N 0 0 304.350 0.662 50 0 DCAARN Cc1cc(=O)c(C(=O)N[C@@H](CO)[C@@H](O)c2ccccc2)c(C)[nH]1 ZINC000426712564 257243633 /nfs/dbraw/zinc/24/36/33/257243633.db2.gz DFVJLEGMYKGAKC-BBRMVZONSA-N 0 0 316.357 0.816 50 0 DCAARN Cc1nccn1CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)NC2=O ZINC000426614962 257244807 /nfs/dbraw/zinc/24/48/07/257244807.db2.gz AFNJZDAGXRHPBW-KGLIPLIRSA-N 0 0 319.409 0.892 50 0 DCAARN COCc1noc(CNC(=O)c2cc(C)c(C)n(C)c2=O)n1 ZINC000426602535 257245503 /nfs/dbraw/zinc/24/55/03/257245503.db2.gz PYJPNDBXRIBXIK-UHFFFAOYSA-N 0 0 306.322 0.462 50 0 DCAARN CC1(C)SC[C@H](C(=O)N2CCC(c3ncon3)CC2)NC1=O ZINC000426536544 257246742 /nfs/dbraw/zinc/24/67/42/257246742.db2.gz SFFBOYACZSBSJJ-SNVBAGLBSA-N 0 0 324.406 0.786 50 0 DCAARN O=C([O-])[C@@H]1C[C@H](NC(=O)c2cnn(-c3ccccc3)c2)C[NH2+]1 ZINC000426551114 257246776 /nfs/dbraw/zinc/24/67/76/257246776.db2.gz LUBBCABEOONJPW-AAEUAGOBSA-N 0 0 300.318 0.417 50 0 DCAARN Cc1cc2nc(CNC(=O)N3CC[C@](O)(CO)C3)[nH]c2cc1C ZINC000426518945 257247822 /nfs/dbraw/zinc/24/78/22/257247822.db2.gz JTTSRMYJEAQWNN-MRXNPFEDSA-N 0 0 318.377 0.818 50 0 DCAARN Cc1c[nH]c(CNC(=O)c2ccc(Cn3nnnc3C)cc2)n1 ZINC000426527031 257247851 /nfs/dbraw/zinc/24/78/51/257247851.db2.gz SVHNGFIDKRGIPI-UHFFFAOYSA-N 0 0 311.349 0.991 50 0 DCAARN O=C(NCCN1CCOCC1)N1CCC(c2ncon2)CC1 ZINC000426493135 257248618 /nfs/dbraw/zinc/24/86/18/257248618.db2.gz YXGZGZMLPRNYNO-UHFFFAOYSA-N 0 0 309.370 0.291 50 0 DCAARN Cc1cc(C)n2nc(CC(=O)N(C)Cc3ccon3)nc2n1 ZINC000426486099 257249282 /nfs/dbraw/zinc/24/92/82/257249282.db2.gz XUNVUIWFBFAUNX-UHFFFAOYSA-N 0 0 300.322 0.930 50 0 DCAARN CC(C)[C@H](NC(=O)NCCc1cn2ccsc2n1)C(N)=O ZINC000426477481 257249410 /nfs/dbraw/zinc/24/94/10/257249410.db2.gz YWCDUHQYPCFSKD-JTQLQIEISA-N 0 0 309.395 0.747 50 0 DCAARN CC(=O)NCc1cc2n(n1)CCN([C@@H](C)C(=O)N1CCCC1)C2 ZINC000426478095 257249616 /nfs/dbraw/zinc/24/96/16/257249616.db2.gz VZZOCQJDPFNQNH-LBPRGKRZSA-N 0 0 319.409 0.346 50 0 DCAARN C[C@H](C(=O)N1CCN(c2nc[nH]n2)CC1)n1cc(Cl)cn1 ZINC000426471057 257249639 /nfs/dbraw/zinc/24/96/39/257249639.db2.gz UXTMLOWKVVLSDY-SECBINFHSA-N 0 0 309.761 0.564 50 0 DCAARN Cc1nnc(CN(C)C(=O)c2ccc3c(c2)OCC(=O)N3)o1 ZINC000426410451 257251813 /nfs/dbraw/zinc/25/18/13/257251813.db2.gz HFSAFUCYILPWEX-UHFFFAOYSA-N 0 0 302.290 0.981 50 0 DCAARN O=C(Cc1nc2ccccc2[nH]1)N1CCC[C@@](O)(CO)CC1 ZINC000426374165 257253263 /nfs/dbraw/zinc/25/32/63/257253263.db2.gz KEVDTIXMONSQGV-INIZCTEOSA-N 0 0 303.362 0.841 50 0 DCAARN Cc1ccccc1N1C(=O)C[C@H](N2CCC(C(N)=O)CC2)C1=O ZINC000019999225 257268945 /nfs/dbraw/zinc/26/89/45/257268945.db2.gz VRXQPMQGSLAAMW-AWEZNQCLSA-N 0 0 315.373 0.824 50 0 DCAARN NC(=O)C1(CNC(=O)Cc2ccc3c(c2)OCO3)CCOCC1 ZINC000071820871 184852560 /nfs/dbraw/zinc/85/25/60/184852560.db2.gz HRIRXRFBQNKSKC-UHFFFAOYSA-N 0 0 320.345 0.356 50 0 DCAARN C[C@@H](C(N)=O)N1CCN(C(=O)CN2CCc3ccccc32)CC1 ZINC000071821803 184853675 /nfs/dbraw/zinc/85/36/75/184853675.db2.gz URIIJWROSNPJOE-ZDUSSCGKSA-N 0 0 316.405 0.067 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC000071841740 184866225 /nfs/dbraw/zinc/86/62/25/184866225.db2.gz MTYIEVRXVIKGHJ-LBPRGKRZSA-N 0 0 306.366 0.850 50 0 DCAARN CCc1nnc2n1CCN(C(=O)CN1CCCCCC1=O)C2 ZINC000069652093 184831639 /nfs/dbraw/zinc/83/16/39/184831639.db2.gz IFQTXZMBKPJZEI-UHFFFAOYSA-N 0 0 305.382 0.585 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)c1ccc(N2CCOCC2)nc1 ZINC000031398502 134678156 /nfs/dbraw/zinc/67/81/56/134678156.db2.gz GRJWOQDXMFLBFE-ZDUSSCGKSA-N 0 0 315.377 0.933 50 0 DCAARN C[C@H]1C[C@H]1CNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000032390188 134680715 /nfs/dbraw/zinc/68/07/15/134680715.db2.gz WRXWFVUPIRNOOL-JQWIXIFHSA-N 0 0 315.381 0.508 50 0 DCAARN Cn1c2ncc(NC(=O)c3ccccc3)cc2c(=O)n(C)c1=O ZINC000008988073 395685015 /nfs/dbraw/zinc/68/50/15/395685015.db2.gz QVKCRPKECDCIKO-UHFFFAOYSA-N 0 0 310.313 0.885 50 0 DCAARN CCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000008889327 395685037 /nfs/dbraw/zinc/68/50/37/395685037.db2.gz MLFSWAMGPOEULT-INIZCTEOSA-N 0 0 319.361 0.988 50 0 DCAARN CC(C)Nc1nnc(SCC(=O)NCC(=O)N(C)C)s1 ZINC000009256988 395685186 /nfs/dbraw/zinc/68/51/86/395685186.db2.gz YGLPUVCFRRJLII-UHFFFAOYSA-N 0 0 317.440 0.655 50 0 DCAARN O=C(Cc1n[nH]c(=O)c2ccccc12)NCCCn1ccnc1 ZINC000009060040 395685200 /nfs/dbraw/zinc/68/52/00/395685200.db2.gz IREVTRNOPYQCGF-UHFFFAOYSA-N 0 0 311.345 0.869 50 0 DCAARN Cc1c2ccc(O)cc2oc(=O)c1CC(=O)NN1CCOCC1 ZINC000009421051 395685240 /nfs/dbraw/zinc/68/52/40/395685240.db2.gz HWECOSAAZWLDEK-UHFFFAOYSA-N 0 0 318.329 0.713 50 0 DCAARN CNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000009682998 395685371 /nfs/dbraw/zinc/68/53/71/395685371.db2.gz QRUPNGVZPKJBGI-UHFFFAOYSA-N 0 0 321.196 0.864 50 0 DCAARN O=C(CCNC(=O)c1ccc(-n2cnnn2)cc1)N1CCCC1 ZINC000009645991 395685398 /nfs/dbraw/zinc/68/53/98/395685398.db2.gz PCGHZTPEJRETGB-UHFFFAOYSA-N 0 0 314.349 0.405 50 0 DCAARN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C(N)=O ZINC000009531122 395685488 /nfs/dbraw/zinc/68/54/88/395685488.db2.gz CEXMJRWFZITWAB-UHFFFAOYSA-N 0 0 302.290 0.473 50 0 DCAARN CC(=O)c1cc(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)n(C)c1 ZINC000009750389 395685671 /nfs/dbraw/zinc/68/56/71/395685671.db2.gz CEGVSTZGKZQFAZ-VIFPVBQESA-N 0 0 307.306 0.325 50 0 DCAARN CCOCCCNC(=O)c1c(O)nc2cc(C)ccn2c1=O ZINC000009830163 395685690 /nfs/dbraw/zinc/68/56/90/395685690.db2.gz YCKXCUBSLPGPLL-UHFFFAOYSA-N 0 0 305.334 0.865 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)NCC1(c2ccccc2)CCC1 ZINC000010221928 395685978 /nfs/dbraw/zinc/68/59/78/395685978.db2.gz QUMPNDLFULBGCO-UHFFFAOYSA-N 0 0 313.357 0.775 50 0 DCAARN COCC(=O)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O ZINC000010251784 395686000 /nfs/dbraw/zinc/68/60/00/395686000.db2.gz OVBSZVCBXWOPCC-UHFFFAOYSA-N 0 0 317.280 0.438 50 0 DCAARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)Cn1ccnc1 ZINC000010809880 395686145 /nfs/dbraw/zinc/68/61/45/395686145.db2.gz JIOWOHOMALLZNL-JTQLQIEISA-N 0 0 320.374 0.508 50 0 DCAARN NC(=O)c1ccccc1NCC(=O)NC(=O)NC1CCCC1 ZINC000010843538 395686215 /nfs/dbraw/zinc/68/62/15/395686215.db2.gz RAUTUDKLQAMZSV-UHFFFAOYSA-N 0 0 304.350 0.966 50 0 DCAARN C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCO1 ZINC000011495336 395686654 /nfs/dbraw/zinc/68/66/54/395686654.db2.gz XBLQMXQQMWBOOK-LLVKDONJSA-N 0 0 312.391 0.798 50 0 DCAARN COC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000012391974 395687605 /nfs/dbraw/zinc/68/76/05/395687605.db2.gz SLICURBJVHIJOA-SNVBAGLBSA-N 0 0 306.318 0.337 50 0 DCAARN Cn1c2sc(C(=O)NC[C@@H]3CCCO3)cc2c(=O)n(C)c1=O ZINC000012422720 395687642 /nfs/dbraw/zinc/68/76/42/395687642.db2.gz BEVPDSKYPMRNLJ-QMMMGPOBSA-N 0 0 323.374 0.208 50 0 DCAARN CCOC(=O)/C=C1\SCC(=O)N1CC(=O)N(CC)CC ZINC000012504648 395687692 /nfs/dbraw/zinc/68/76/92/395687692.db2.gz VUAGFVHSYZYJHV-GHXNOFRVSA-N 0 0 300.380 0.835 50 0 DCAARN CC(C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012932036 395688108 /nfs/dbraw/zinc/68/81/08/395688108.db2.gz KZWAJNVDFRODPL-UHFFFAOYSA-N 0 0 312.391 0.846 50 0 DCAARN CCN1CCN(C(=O)CCNC(=O)c2cccc(OC)c2)CC1 ZINC000012866049 395688166 /nfs/dbraw/zinc/68/81/66/395688166.db2.gz UXMVEQHRMSWEEZ-UHFFFAOYSA-N 0 0 319.405 0.979 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1C ZINC000012998506 395688298 /nfs/dbraw/zinc/68/82/98/395688298.db2.gz XBEMHHSVISACGY-UHFFFAOYSA-N 0 0 314.407 0.302 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)N1CCN(c2ccccc2)CC1 ZINC000013097148 395688459 /nfs/dbraw/zinc/68/84/59/395688459.db2.gz GYKPTYVBUHPMNZ-ZDUSSCGKSA-N 0 0 316.361 0.323 50 0 DCAARN CNC(=O)c1cc(S(=O)(=O)N[C@H](C)COC)ccc1OC ZINC000013677731 395688817 /nfs/dbraw/zinc/68/88/17/395688817.db2.gz MAJPHZWXLDZWEU-SECBINFHSA-N 0 0 316.379 0.368 50 0 DCAARN Cc1cnc2n(c1=O)[C@H](CC(=O)NC[C@@H]1CCCO1)CS2 ZINC000014032015 395689090 /nfs/dbraw/zinc/68/90/90/395689090.db2.gz UCIKSRQITKYECZ-MNOVXSKESA-N 0 0 309.391 0.884 50 0 DCAARN Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1nccs1 ZINC000014159338 395689267 /nfs/dbraw/zinc/68/92/67/395689267.db2.gz OPEVAZNDQVIOHN-UHFFFAOYSA-N 0 0 303.351 0.961 50 0 DCAARN O=C(COc1ccc2c(c1)CCC2)N[C@@H]1CCS(=O)(=O)C1 ZINC000014181715 395689362 /nfs/dbraw/zinc/68/93/62/395689362.db2.gz USEHEZZGPJPNGC-CYBMUJFWSA-N 0 0 309.387 0.857 50 0 DCAARN C[C@H]1CCCC[C@H]1NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000014244562 395689499 /nfs/dbraw/zinc/68/94/99/395689499.db2.gz BBGOBENZBUNWKG-CMPLNLGQSA-N 0 0 303.366 0.825 50 0 DCAARN CSc1cccc(CN2CCN3C(=O)CN(C)C(=O)[C@H]3C2)c1 ZINC000014750080 395689546 /nfs/dbraw/zinc/68/95/46/395689546.db2.gz MRMWUGOCKTYBCO-CQSZACIVSA-N 0 0 319.430 0.893 50 0 DCAARN O=C(COC(=O)c1cccnc1N1CCOCC1)NC1CC1 ZINC000023640242 395692585 /nfs/dbraw/zinc/69/25/85/395692585.db2.gz IZGFRVPNOSCBKV-UHFFFAOYSA-N 0 0 305.334 0.354 50 0 DCAARN C[C@H](C1CC1)N(C)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O ZINC000025472306 395693517 /nfs/dbraw/zinc/69/35/17/395693517.db2.gz UNNVGDWXWKIFDZ-SNVBAGLBSA-N 0 0 301.346 0.947 50 0 DCAARN NN(CCc1ccncc1)C1=NS(=O)(=O)c2ccccc21 ZINC000000194130 395679947 /nfs/dbraw/zinc/67/99/47/395679947.db2.gz GGJFMCCSYXRNIJ-UHFFFAOYSA-N 0 0 302.359 0.949 50 0 DCAARN CCN(CC)c1nc(OC)nc(-n2nnc(C(C)=O)c2C)n1 ZINC000000210932 395680064 /nfs/dbraw/zinc/68/00/64/395680064.db2.gz WWSYXNDXMXBAOX-UHFFFAOYSA-N 0 0 305.342 0.818 50 0 DCAARN COC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000381915 395680348 /nfs/dbraw/zinc/68/03/48/395680348.db2.gz GUCJAGSQRMKOLK-UHFFFAOYSA-N 0 0 314.363 0.564 50 0 DCAARN Cc1cc(C(=O)c2no[n+]([O-])c2C(=O)c2cc(C)on2)no1 ZINC000000510419 395680465 /nfs/dbraw/zinc/68/04/65/395680465.db2.gz NKGRNNIPMOMDPK-UHFFFAOYSA-N 0 0 304.218 0.363 50 0 DCAARN O[C@@H]1CO[C@H](Oc2ccc(Br)cc2)[C@@H](O)[C@H]1O ZINC000000484961 395680494 /nfs/dbraw/zinc/68/04/94/395680494.db2.gz RYMCGIWYPIFYRA-VPOLOUISSA-N 0 0 305.124 0.267 50 0 DCAARN CC(=O)CC(=O)NCC1CCC(CNC(=O)CC(C)=O)CC1 ZINC000001615605 395680905 /nfs/dbraw/zinc/68/09/05/395680905.db2.gz ZJBIBJGDXHNMLS-UHFFFAOYSA-N 0 0 310.394 0.983 50 0 DCAARN CCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000002493760 395681542 /nfs/dbraw/zinc/68/15/42/395681542.db2.gz FZVKFUSUDHGTHA-UHFFFAOYSA-N 0 0 308.386 0.367 50 0 DCAARN O=C(COC(=O)C1=COCCO1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000002639305 395681661 /nfs/dbraw/zinc/68/16/61/395681661.db2.gz PAUYYDLSKLGCJN-UHFFFAOYSA-N 0 0 319.273 0.226 50 0 DCAARN COc1ccc2sc(C)[n+](C[C@@H](O)CS(=O)(=O)[O-])c2c1 ZINC000002831199 395681926 /nfs/dbraw/zinc/68/19/26/395681926.db2.gz WTHXMPIUXHZQHR-SECBINFHSA-O 0 0 318.396 0.755 50 0 DCAARN O=C(N1CCOCC1)C(F)(F)S(=O)(=O)Oc1ccccc1 ZINC000003098927 395682279 /nfs/dbraw/zinc/68/22/79/395682279.db2.gz DNKRNAQGNGZSLP-UHFFFAOYSA-N 0 0 321.301 0.847 50 0 DCAARN C[C@@H]1[C@H](C)Nc2[nH]c(N)nc(=O)c2N1C(=O)c1cccnc1 ZINC000004938770 395682658 /nfs/dbraw/zinc/68/26/58/395682658.db2.gz BTWHZQREJHEVAN-JGVFFNPUSA-N 0 0 300.322 0.596 50 0 DCAARN Cc1nnsc1C(=O)N1CCN(C[C@@H](O)c2ccco2)CC1 ZINC000085436772 395700271 /nfs/dbraw/zinc/70/02/71/395700271.db2.gz RALATFUNCNAQLO-LLVKDONJSA-N 0 0 322.390 0.931 50 0 DCAARN C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1Cc2ccccc2C1=O ZINC000085432560 395700319 /nfs/dbraw/zinc/70/03/19/395700319.db2.gz ODOXBLGVCISOFR-JQWIXIFHSA-N 0 0 322.386 0.334 50 0 DCAARN CS(=O)(=O)NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O ZINC000085467781 395700949 /nfs/dbraw/zinc/70/09/49/395700949.db2.gz RVUDCQJQFMHPPC-GFCCVEGCSA-N 0 0 315.370 0.311 50 0 DCAARN Cn1cnc(S(=O)(=O)N[C@H]2CCOC3(CCOCC3)C2)c1 ZINC000085479352 395701629 /nfs/dbraw/zinc/70/16/29/395701629.db2.gz SORRMSSVDHHYSR-NSHDSACASA-N 0 0 315.395 0.427 50 0 DCAARN Cc1cc(C(=O)NCCn2nc(C(F)(F)F)n(C)c2=O)no1 ZINC000085555765 395701681 /nfs/dbraw/zinc/70/16/81/395701681.db2.gz PLTIVNYBBQPZPG-UHFFFAOYSA-N 0 0 319.243 0.327 50 0 DCAARN COc1ncccc1CNC(=O)Cc1c(C)nc(C)[nH]c1=O ZINC000031285343 395706289 /nfs/dbraw/zinc/70/62/89/395706289.db2.gz GTHDIULWRFSJEI-UHFFFAOYSA-N 0 0 302.334 0.649 50 0 DCAARN Nc1nccnc1C(=O)NCc1cccnc1N1CCOCC1 ZINC000031328665 395706409 /nfs/dbraw/zinc/70/64/09/395706409.db2.gz ULJKHSJDOYFGMK-UHFFFAOYSA-N 0 0 314.349 0.220 50 0 DCAARN CNS(=O)(=O)c1cccc(CNC(=O)c2cc(C)no2)c1 ZINC000031748189 395708155 /nfs/dbraw/zinc/70/81/55/395708155.db2.gz VLMUYYUQJSJPLH-UHFFFAOYSA-N 0 0 309.347 0.821 50 0 DCAARN CC[C@@H]1CN(C(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)CCO1 ZINC000032356456 395710250 /nfs/dbraw/zinc/71/02/50/395710250.db2.gz NVADXSMGQUMCBD-LLVKDONJSA-N 0 0 317.349 0.515 50 0 DCAARN C[C@@H]1C[C@@H]1CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000032384702 395710789 /nfs/dbraw/zinc/71/07/89/395710789.db2.gz RHAZONHAUMRLMD-RNFRBKRXSA-N 0 0 316.155 0.071 50 0 DCAARN COc1cc(CC(=O)O[C@@H]2CNC(=O)C2)cc(OC)c1OC ZINC000089426535 395711740 /nfs/dbraw/zinc/71/17/40/395711740.db2.gz YGGCZBLBJHYLGH-JTQLQIEISA-N 0 0 309.318 0.687 50 0 DCAARN COC[C@H](C)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000032660571 395712329 /nfs/dbraw/zinc/71/23/29/395712329.db2.gz ZKWUVYFMRRMRRN-QWRGUYRKSA-N 0 0 304.350 0.476 50 0 DCAARN COc1ccccc1NC(=O)CN1C(=O)C(=O)N(C2CC2)C1=O ZINC000032689146 395712354 /nfs/dbraw/zinc/71/23/54/395712354.db2.gz ADCOORXGGLAPEQ-UHFFFAOYSA-N 0 0 317.301 0.587 50 0 DCAARN Cc1onc2c1c(C(=O)N1CCN(C)C[C@H]1C)nn(C)c2=O ZINC000089567338 395713076 /nfs/dbraw/zinc/71/30/76/395713076.db2.gz HQICRKJXBMKORQ-MRVPVSSYSA-N 0 0 305.338 0.006 50 0 DCAARN CSCC[C@@H]1NC(=S)N(Cc2nnc3n2CCC3)C1=O ZINC000032778509 395713321 /nfs/dbraw/zinc/71/33/21/395713321.db2.gz FGYIDGFBGOPVHQ-QMMMGPOBSA-N 0 0 311.436 0.563 50 0 DCAARN Cc1cc(N[C@@H](C)C(=O)NC(N)=O)ccc1NS(C)(=O)=O ZINC000032771615 395713353 /nfs/dbraw/zinc/71/33/53/395713353.db2.gz IPGFHWQFJJYJTL-QMMMGPOBSA-N 0 0 314.367 0.362 50 0 DCAARN NS(=O)(=O)CCN1CCN(c2cc(F)ccc2F)CC1 ZINC000089769650 395714924 /nfs/dbraw/zinc/71/49/24/395714924.db2.gz DBURFOSDZISSEQ-UHFFFAOYSA-N 0 0 305.350 0.375 50 0 DCAARN C[C@H]1CCCN(C(=O)Cn2c3ccccc3n(C)c(=O)c2=O)C1 ZINC000032977761 395715045 /nfs/dbraw/zinc/71/50/45/395715045.db2.gz JFSJIOBECADZMH-LBPRGKRZSA-N 0 0 315.373 0.959 50 0 DCAARN CNC(=O)[C@H](C)N1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000032936343 395715300 /nfs/dbraw/zinc/71/53/00/395715300.db2.gz JHUCNIORUKMPSQ-VXJOIVPMSA-N 0 0 319.317 0.317 50 0 DCAARN CC(C)NC(=O)NC(=O)[C@H](C)N1CCN([C@H]2CCOC2)CC1 ZINC000089885272 395715758 /nfs/dbraw/zinc/71/57/58/395715758.db2.gz LYTLRHCRUYQJOK-STQMWFEESA-N 0 0 312.414 0.016 50 0 DCAARN O=c1c2cnn(-c3ccccc3)c2ncn1CCn1cncn1 ZINC000089857556 395715833 /nfs/dbraw/zinc/71/58/33/395715833.db2.gz LVMQFEURZZMQAG-UHFFFAOYSA-N 0 0 307.317 0.874 50 0 DCAARN C[C@H]1COCCN1C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000033050195 395716217 /nfs/dbraw/zinc/71/62/17/395716217.db2.gz VFUKSUSNHFPGOJ-NSHDSACASA-N 0 0 324.402 0.870 50 0 DCAARN C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccccc1 ZINC000035283972 395720213 /nfs/dbraw/zinc/72/02/13/395720213.db2.gz MFQTWQUICLCFHM-OCCSQVGLSA-N 0 0 310.419 0.810 50 0 DCAARN Cc1nnsc1C(=O)Nc1nn(C)c2c1C[C@@H](C)C(=O)N2 ZINC000035597789 395720875 /nfs/dbraw/zinc/72/08/75/395720875.db2.gz KBEXKSZYPXXHBA-RXMQYKEDSA-N 0 0 306.351 0.963 50 0 DCAARN CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(C)CC3)ccc21 ZINC000036077009 395721915 /nfs/dbraw/zinc/72/19/15/395721915.db2.gz YDHQHFOZEWBPTP-UHFFFAOYSA-N 0 0 323.418 0.532 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(N2CCCC2=O)c1 ZINC000036140875 395722331 /nfs/dbraw/zinc/72/23/31/395722331.db2.gz CAIUFVACPINQAJ-GFCCVEGCSA-N 0 0 322.386 0.730 50 0 DCAARN CN(C)Cc1c(C(=O)c2ccccc2)c(=O)n(C)c(=O)n1C ZINC000036357862 395723437 /nfs/dbraw/zinc/72/34/37/395723437.db2.gz VVUHHQNNRHFUCW-UHFFFAOYSA-N 0 0 301.346 0.377 50 0 DCAARN COCCOc1ccc(S(=O)(=O)NCCNC(C)=O)cc1 ZINC000027948996 395695378 /nfs/dbraw/zinc/69/53/78/395695378.db2.gz BGJHAZRJGVYDIN-UHFFFAOYSA-N 0 0 316.379 0.126 50 0 DCAARN O=C(CSc1nnnn1-c1cccc(Cl)c1)NCCO ZINC000028296023 395695890 /nfs/dbraw/zinc/69/58/90/395695890.db2.gz YHVGRUUVQILUDN-UHFFFAOYSA-N 0 0 313.770 0.516 50 0 DCAARN C[C@@H]1CN(C(=O)CCn2nnc3ccccc3c2=O)C[C@@H](C)O1 ZINC000028655865 395696195 /nfs/dbraw/zinc/69/61/95/395696195.db2.gz MZLFGVDBNQCSDN-VXGBXAGGSA-N 0 0 316.361 0.817 50 0 DCAARN COCCNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 ZINC000029634259 395699041 /nfs/dbraw/zinc/69/90/41/395699041.db2.gz RFPIALNHXNXEMW-UHFFFAOYSA-N 0 0 305.378 0.207 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C2CCCC2)CC1 ZINC000029661901 395699113 /nfs/dbraw/zinc/69/91/13/395699113.db2.gz RZYSFKLMWZEVJU-NSHDSACASA-N 0 0 310.398 0.165 50 0 DCAARN C[C@@H](NC(=O)C1CC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000040511871 395734086 /nfs/dbraw/zinc/73/40/86/395734086.db2.gz ODKGSQYCDDUHBR-LLVKDONJSA-N 0 0 303.366 0.040 50 0 DCAARN Cc1ccc(C(=O)NCCCN(C)S(C)(=O)=O)c(O)c1 ZINC000040516466 395734377 /nfs/dbraw/zinc/73/43/77/395734377.db2.gz TYHOOEUNAMEKJR-UHFFFAOYSA-N 0 0 300.380 0.712 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@]1(C)CC(c2cccc(F)c2)=NO1 ZINC000096192949 395748275 /nfs/dbraw/zinc/74/82/75/395748275.db2.gz BKCQZWGUVGCWBK-HNNXBMFYSA-N 0 0 307.325 0.913 50 0 DCAARN Cn1cnc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)c1 ZINC000096099048 395744252 /nfs/dbraw/zinc/74/42/52/395744252.db2.gz ZFVCPMRYRRDLLK-UHFFFAOYSA-N 0 0 323.300 0.614 50 0 DCAARN COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2cnn(C)c2)o1 ZINC000096115082 395745797 /nfs/dbraw/zinc/74/57/97/395745797.db2.gz RGUZGQUXIWBCSI-LLVKDONJSA-N 0 0 322.317 0.920 50 0 biogenic DCAARN COCCNC(=O)[C@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000096290143 395752298 /nfs/dbraw/zinc/75/22/98/395752298.db2.gz YODCMAHEIHDSFB-AWEZNQCLSA-N 0 0 321.421 0.968 50 0 DCAARN Cc1cc(NCCNC(=O)c2cscn2)n2ncnc2n1 ZINC000096448354 395753445 /nfs/dbraw/zinc/75/34/45/395753445.db2.gz RVDLUCTUXGTWJS-UHFFFAOYSA-N 0 0 303.351 0.731 50 0 DCAARN O=C(CN1CCN(c2ccccn2)CC1)N[C@H]1CCCOC1 ZINC000096436388 395753494 /nfs/dbraw/zinc/75/34/94/395753494.db2.gz PBJMPQYXBTUWIS-AWEZNQCLSA-N 0 0 304.394 0.499 50 0 DCAARN COc1ccc(CNC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000044441025 395756385 /nfs/dbraw/zinc/75/63/85/395756385.db2.gz YYMAYDFHEQHCBB-UHFFFAOYSA-N 0 0 303.318 0.239 50 0 DCAARN NC(=O)c1csc(N2CCN(Cc3ccoc3)C[C@@H](O)C2)n1 ZINC000097436995 395757747 /nfs/dbraw/zinc/75/77/47/395757747.db2.gz CNNPGOJWJMKKIJ-LLVKDONJSA-N 0 0 322.390 0.518 50 0 DCAARN Cc1sc(Cl)nc1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000096223073 395750576 /nfs/dbraw/zinc/75/05/76/395750576.db2.gz PQQYRQOBQHUXDA-UHFFFAOYSA-N 0 0 323.827 0.822 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)Cn1ccc(C(F)(F)F)n1 ZINC000046884968 395782213 /nfs/dbraw/zinc/78/22/13/395782213.db2.gz OMQMVLFVLHCSRS-JTQLQIEISA-N 0 0 320.315 0.739 50 0 DCAARN C[C@@H](NC(=O)N1CCN(Cc2ccco2)CC1)c1nncn1C ZINC000046963834 395783804 /nfs/dbraw/zinc/78/38/04/395783804.db2.gz KSKUXOFWYAHQAQ-GFCCVEGCSA-N 0 0 318.381 0.997 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000047152070 395788376 /nfs/dbraw/zinc/78/83/76/395788376.db2.gz IFYLBCRSKMRTIE-LBPRGKRZSA-N 0 0 316.365 0.113 50 0 DCAARN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3cnn(C)c3)[C@@H]2C1 ZINC000108361318 395788685 /nfs/dbraw/zinc/78/86/85/395788685.db2.gz VPYKDQVNVUDRTC-RTXFEEFZSA-N 0 0 315.395 0.377 50 0 DCAARN Cn1nccc1CCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000097522135 395758574 /nfs/dbraw/zinc/75/85/74/395758574.db2.gz REGAVDSBKKKGLF-UHFFFAOYSA-N 0 0 316.361 0.930 50 0 DCAARN O=C(NCCN1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000097654122 395760043 /nfs/dbraw/zinc/76/00/43/395760043.db2.gz CNRSHHUEBGJXKO-CQSZACIVSA-N 0 0 322.430 0.990 50 0 DCAARN C[C@@H](C(=O)N1CCC(Oc2ncccn2)CC1)N1CCCC1=O ZINC000097797208 395760855 /nfs/dbraw/zinc/76/08/55/395760855.db2.gz ISLVEAWQWXZXOZ-LBPRGKRZSA-N 0 0 318.377 0.857 50 0 DCAARN COc1ccnc(N2CCN(c3nccc(OC)n3)CC2)n1 ZINC000045026273 395761048 /nfs/dbraw/zinc/76/10/48/395761048.db2.gz CWWQAUVVYCMTDN-UHFFFAOYSA-N 0 0 302.338 0.610 50 0 DCAARN CC(=O)N1CCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000045118683 395761307 /nfs/dbraw/zinc/76/13/07/395761307.db2.gz WCGAOSJGWLARIS-AWEZNQCLSA-N 0 0 317.393 0.384 50 0 DCAARN COc1ccc2nc(C(=O)NCCCN3CCOCC3)cn2n1 ZINC000097938745 395761433 /nfs/dbraw/zinc/76/14/33/395761433.db2.gz SULOVQNHZGXHBB-UHFFFAOYSA-N 0 0 319.365 0.190 50 0 DCAARN CC(C)n1nccc1NC(=O)[C@@H](C)N1CCN(CCO)CC1 ZINC000098068860 395761643 /nfs/dbraw/zinc/76/16/43/395761643.db2.gz HYSUUJYRAKUGFG-CYBMUJFWSA-N 0 0 309.414 0.401 50 0 DCAARN O=C(NC[C@@H]1Cc2ccccc2O1)N[C@@H]1CCCCNC1=O ZINC000045666630 395764498 /nfs/dbraw/zinc/76/44/98/395764498.db2.gz UFRCIQDWHGADMB-QWHCGFSZSA-N 0 0 303.362 0.958 50 0 DCAARN Cn1c(=O)c2c(nc(-c3ccccc3)[nH]c2=S)n(C)c1=O ZINC000101506090 395764521 /nfs/dbraw/zinc/76/45/21/395764521.db2.gz MJCZFXMACLIDEE-UHFFFAOYSA-N 0 0 300.343 0.983 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)N1CCc2ccccc2C1 ZINC000045857130 395767420 /nfs/dbraw/zinc/76/74/20/395767420.db2.gz YDQYWIUMCKCEGS-UHFFFAOYSA-N 0 0 308.403 0.302 50 0 DCAARN CCO[C@@H]1C[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@]12CCCO2 ZINC000108394430 395789321 /nfs/dbraw/zinc/78/93/21/395789321.db2.gz BBKWTETXIGHLJN-YWPYICTPSA-N 0 0 307.350 0.237 50 0 DCAARN Cc1cc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)on1 ZINC000046178466 395772057 /nfs/dbraw/zinc/77/20/57/395772057.db2.gz BPQSEHCYCCENJA-GFCCVEGCSA-N 0 0 306.366 0.106 50 0 DCAARN CCOC(=O)c1c[n-]n(Cc2nc(-c3ccccn3)no2)c1=N ZINC000104059080 395776886 /nfs/dbraw/zinc/77/68/86/395776886.db2.gz XJHOJDRIVFFIJG-UHFFFAOYSA-N 0 0 314.305 0.966 50 0 DCAARN Cc1cc(CN2CCN(C(=O)NC[C@H]3CCCO3)CC2)on1 ZINC000048261812 395811683 /nfs/dbraw/zinc/81/16/83/395811683.db2.gz XIFKYABISKNKLV-CYBMUJFWSA-N 0 0 308.382 0.989 50 0 DCAARN NC(=O)[C@H]1CCCN(S(=O)(=O)N2CCc3ccccc3C2)C1 ZINC000048237815 395811710 /nfs/dbraw/zinc/81/17/10/395811710.db2.gz HYBDVBMYMBKPQA-AWEZNQCLSA-N 0 0 323.418 0.487 50 0 DCAARN CCCS(=O)(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000048959269 395825198 /nfs/dbraw/zinc/82/51/98/395825198.db2.gz QUWAMHIRRFBKDO-UHFFFAOYSA-N 0 0 302.400 0.101 50 0 DCAARN CNS(=O)(=O)CC(=O)NCCCc1ccccc1Cl ZINC000195536538 395831583 /nfs/dbraw/zinc/83/15/83/395831583.db2.gz QDNRXYURTWMRSX-UHFFFAOYSA-N 0 0 304.799 0.938 50 0 DCAARN COc1nn(C)cc1C(=O)N1CC[C@@H](Oc2ccc(C)nn2)C1 ZINC000225424786 395859870 /nfs/dbraw/zinc/85/98/70/395859870.db2.gz CVUMTLOZEBCUNP-LLVKDONJSA-N 0 0 317.349 0.821 50 0 DCAARN C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000049911252 395834461 /nfs/dbraw/zinc/83/44/61/395834461.db2.gz OBDDJXIVXIKWGQ-LLVKDONJSA-N 0 0 302.371 0.513 50 0 DCAARN CCc1nc(C)c(C(=O)NCCS(=O)(=O)N2CCCC2)o1 ZINC000215022054 395836764 /nfs/dbraw/zinc/83/67/64/395836764.db2.gz DXWQBRUOTCQGHW-UHFFFAOYSA-N 0 0 315.395 0.701 50 0 DCAARN CN(C)c1ccc(O[C@H]2CCN(C(=O)Cn3cccn3)C2)nn1 ZINC000225446675 395860190 /nfs/dbraw/zinc/86/01/90/395860190.db2.gz RPJKKFVPGHYLBG-LBPRGKRZSA-N 0 0 316.365 0.419 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)COc2ccc3ccccc3c2)CCO1 ZINC000050858928 395843157 /nfs/dbraw/zinc/84/31/57/395843157.db2.gz BHTSATIJEWPCOS-HNNXBMFYSA-N 0 0 314.341 0.931 50 0 DCAARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)Cn1nnnc1C ZINC000219301449 395844447 /nfs/dbraw/zinc/84/44/47/395844447.db2.gz MLOQFQMBQCRRQV-OLZOCXBDSA-N 0 0 309.370 0.238 50 0 DCAARN CCc1nc(C)sc1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000219265194 395844596 /nfs/dbraw/zinc/84/45/96/395844596.db2.gz UCDLHYZVMBTGKR-UHFFFAOYSA-N 0 0 308.363 0.180 50 0 DCAARN CCn1cc(C(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)cn1 ZINC000219173550 395844809 /nfs/dbraw/zinc/84/48/09/395844809.db2.gz GAOMSEBRRYBBDT-UZANAETPSA-N 0 0 303.366 0.879 50 0 DCAARN Cc1nc(CCNC(=O)c2cc3c([nH]c2=O)CCC3)cc(=O)[nH]1 ZINC000219623421 395846282 /nfs/dbraw/zinc/84/62/82/395846282.db2.gz YBTQXKROVLEXPQ-UHFFFAOYSA-N 0 0 314.345 0.640 50 0 DCAARN O=C(Cn1cnnn1)NCCc1nccc(-c2ccccc2)n1 ZINC000219921275 395846959 /nfs/dbraw/zinc/84/69/59/395846959.db2.gz CRRBWBOXIGKGIB-UHFFFAOYSA-N 0 0 309.333 0.489 50 0 DCAARN C[C@@H](C(=O)NC1CC1)N1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC000051181163 395848238 /nfs/dbraw/zinc/84/82/38/395848238.db2.gz QCWRZUVNPPXJQJ-ZDUSSCGKSA-N 0 0 318.421 0.170 50 0 DCAARN CS(=O)(=O)CCCN1C(=O)[C@H]2Cc3ccccc3CN2C1=O ZINC000225456176 395860864 /nfs/dbraw/zinc/86/08/64/395860864.db2.gz SLTWPDLSIPDPIM-CYBMUJFWSA-N 0 0 322.386 0.810 50 0 DCAARN Cc1ncsc1CCNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000221214244 395850575 /nfs/dbraw/zinc/85/05/75/395850575.db2.gz REFIVWHLRCAKRW-JTQLQIEISA-N 0 0 317.436 0.534 50 0 DCAARN Cc1ccc(O[C@H]2CCCN(C(=O)c3c[nH]c(=O)[nH]3)C2)nn1 ZINC000225463210 395860971 /nfs/dbraw/zinc/86/09/71/395860971.db2.gz ZFNOYBYLPWUEGK-JTQLQIEISA-N 0 0 303.322 0.485 50 0 DCAARN Cc1ccc(O[C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)nn1 ZINC000225459435 395860992 /nfs/dbraw/zinc/86/09/92/395860992.db2.gz QQBZECNLPXWLQG-NEPJUHHUSA-N 0 0 304.350 0.433 50 0 DCAARN Cn1ccnc1C(=O)N[C@@H]1COCC[C@@H]1OCc1cscn1 ZINC000222421402 395852914 /nfs/dbraw/zinc/85/29/14/395852914.db2.gz LYDDQHIVOUCVGA-NEPJUHHUSA-N 0 0 322.390 0.981 50 0 DCAARN COC[C@@H]1[C@@H](NC(=O)c2c(C)cc(=O)[nH]c2C)[C@@H]2CCO[C@H]12 ZINC000223020041 395853354 /nfs/dbraw/zinc/85/33/54/395853354.db2.gz PPLOPYWPDJLFRV-JLUCKKNBSA-N 0 0 306.362 0.771 50 0 DCAARN COCc1nc([C@H]2C[C@H](NC(=O)c3ncoc3C)C2)cc(=O)[nH]1 ZINC000223604191 395855514 /nfs/dbraw/zinc/85/55/14/395855514.db2.gz NMDXFSRMHBVLIL-AOOOYVTPSA-N 0 0 318.333 0.889 50 0 DCAARN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCSCC1 ZINC000053802793 395889138 /nfs/dbraw/zinc/88/91/38/395889138.db2.gz NRRODSPSBORSFD-UHFFFAOYSA-N 0 0 306.395 0.441 50 0 DCAARN CN(C)C(=O)CCNC(=O)c1csc(-c2cnn(C)c2)n1 ZINC000053838642 395890092 /nfs/dbraw/zinc/89/00/92/395890092.db2.gz FGTOPENLEXDRAG-UHFFFAOYSA-N 0 0 307.379 0.752 50 0 DCAARN Cc1cc(NC(=O)CN(C)c2ncnc3c2cnn3C)no1 ZINC000054865460 395907545 /nfs/dbraw/zinc/90/75/45/395907545.db2.gz CBWGJRNIFZLVLL-UHFFFAOYSA-N 0 0 301.310 0.735 50 0 DCAARN COCCn1cncc1CNC(=O)CCC(=O)NC1CCCC1 ZINC000055413488 395918716 /nfs/dbraw/zinc/91/87/16/395918716.db2.gz IHFBQPXAPDYCEQ-UHFFFAOYSA-N 0 0 322.409 0.985 50 0 DCAARN O=C(Cn1cnnn1)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000055402234 395918861 /nfs/dbraw/zinc/91/88/61/395918861.db2.gz HOVRJPQUBSTUNQ-ZDUSSCGKSA-N 0 0 302.338 0.276 50 0 DCAARN COCC[C@H]1CN(Cc2cc(=O)n3cccc(O)c3n2)CCO1 ZINC000244852628 395925282 /nfs/dbraw/zinc/92/52/82/395925282.db2.gz UVXVTRSCXJUEMZ-ZDUSSCGKSA-N 0 0 319.361 0.637 50 0 DCAARN CNc1ncccc1C(=O)N[C@H]1C[C@@H](c2nnc(CO)n2C)C1 ZINC000244899676 395926260 /nfs/dbraw/zinc/92/62/60/395926260.db2.gz ZNTSEYKAJDYBKK-AOOOYVTPSA-N 0 0 316.365 0.420 50 0 DCAARN CCS[C@H]1CC[C@H](N(C)C(=O)C(=O)Nc2ncnn2C)C1 ZINC000225855017 395864407 /nfs/dbraw/zinc/86/44/07/395864407.db2.gz MHMKRBVKGBOBQE-UWVGGRQHSA-N 0 0 311.411 0.886 50 0 DCAARN O=C(/C=C\c1ccc2c(c1)OCCO2)N[C@H]1CCS(=O)(=O)C1 ZINC000052602893 395866489 /nfs/dbraw/zinc/86/64/89/395866489.db2.gz VHXHMKWAWNTVSL-QQHVMHFCSA-N 0 0 323.370 0.774 50 0 DCAARN CCCCN(CC(N)=O)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000052704112 395869224 /nfs/dbraw/zinc/86/92/24/395869224.db2.gz DARICXBFZWGFQE-UHFFFAOYSA-N 0 0 317.411 0.617 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000058368888 395953078 /nfs/dbraw/zinc/95/30/78/395953078.db2.gz QDBADEJUUGZRCA-GFCCVEGCSA-N 0 0 324.425 0.555 50 0 DCAARN Cc1csc(N2CCCN([C@H](C)C(=O)NC(N)=O)CC2)n1 ZINC000064636794 395989203 /nfs/dbraw/zinc/98/92/03/395989203.db2.gz USCAOQSJRWSDHC-SNVBAGLBSA-N 0 0 311.411 0.547 50 0 DCAARN Nc1nc(N2CCOCC2)ncc1C(=O)NCc1ccccc1 ZINC000065154674 395990666 /nfs/dbraw/zinc/99/06/66/395990666.db2.gz YKSTZRHCVITAAH-UHFFFAOYSA-N 0 0 313.361 0.825 50 0 DCAARN CCOc1nccnc1N1CC[C@H](NS(=O)(=O)C2CC2)C1 ZINC000065268835 395992137 /nfs/dbraw/zinc/99/21/37/395992137.db2.gz DBUQXVNKXDFCNF-JTQLQIEISA-N 0 0 312.395 0.536 50 0 DCAARN COC(=O)c1cc2n(n1)CCN(c1cc(OC)nc(OC)n1)C2 ZINC000065407401 395992924 /nfs/dbraw/zinc/99/29/24/395992924.db2.gz PHHMIKJRMCWKQG-UHFFFAOYSA-N 0 0 319.321 0.497 50 0 DCAARN Cn1ncc2c1nc(CN1CCO[C@H]3CCCC[C@@H]31)[nH]c2=O ZINC000065415516 395993479 /nfs/dbraw/zinc/99/34/79/395993479.db2.gz MBOFAVLDYLZRMR-RYUDHWBXSA-N 0 0 303.366 0.800 50 0 DCAARN Cn1ccnc1C(=O)N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 ZINC000252532903 396022320 /nfs/dbraw/zinc/02/23/20/396022320.db2.gz FLBOXBXPRDMSOF-MRVWCRGKSA-N 0 0 300.362 0.927 50 0 DCAARN COc1ccccc1C(=O)N1CC[C@@H]2CN(S(C)(=O)=O)[C@@H]2C1 ZINC000253406377 396027107 /nfs/dbraw/zinc/02/71/07/396027107.db2.gz IWHOXTQUYSJSEX-DGCLKSJQSA-N 0 0 324.402 0.801 50 0 DCAARN Cc1nn(C)cc1C(=O)N1C[C@@H](CO)[C@H](c2ccccn2)C1 ZINC000253409134 396027187 /nfs/dbraw/zinc/02/71/87/396027187.db2.gz LLMGSKOVPYTIQR-GXTWGEPZSA-N 0 0 300.362 0.972 50 0 DCAARN CCS(=O)(=O)NCCNC(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC000253416713 396027782 /nfs/dbraw/zinc/02/77/82/396027782.db2.gz HBLGEYCJVHWPJR-NSHDSACASA-N 0 0 316.354 0.185 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)c2ccccc2OC)C[C@H]1COC ZINC000253413265 396027946 /nfs/dbraw/zinc/02/79/46/396027946.db2.gz UHWQMURPQKDYEM-WCQYABFASA-N 0 0 306.362 0.776 50 0 DCAARN O=C(CCn1c(=O)oc2ccccc21)N1CCCCS1(=O)=O ZINC000253431744 396028836 /nfs/dbraw/zinc/02/88/36/396028836.db2.gz IBJNBPVAUDTAFW-UHFFFAOYSA-N 0 0 324.358 0.937 50 0 DCAARN O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1cnc[nH]c1=O ZINC000253535496 396029616 /nfs/dbraw/zinc/02/96/16/396029616.db2.gz XEBXMFDLFNUGJP-MBNYWOFBSA-N 0 0 314.345 0.689 50 0 DCAARN O=C(Cc1cnc[nH]c1=O)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000253535261 396029762 /nfs/dbraw/zinc/02/97/62/396029762.db2.gz JMAJIQKUKPVGEZ-IFUGULHKSA-N 0 0 314.345 0.748 50 0 DCAARN CN1CCN(NC(=O)c2ccc(OC[C@@H]3CCCO3)nc2)CC1 ZINC000253472567 396029779 /nfs/dbraw/zinc/02/97/79/396029779.db2.gz NPXYQBLCABNWDO-AWEZNQCLSA-N 0 0 320.393 0.532 50 0 DCAARN Cc1c(CN(C)C(=O)CN2CC(=O)NC2=O)[nH]c2ccccc12 ZINC000067692226 396031335 /nfs/dbraw/zinc/03/13/35/396031335.db2.gz AGAFHIDWNHYFSS-UHFFFAOYSA-N 0 0 314.345 0.987 50 0 DCAARN O=C(c1ccc(Cn2ccnc2)o1)N1CCC(O)(CO)CC1 ZINC000067743070 396032553 /nfs/dbraw/zinc/03/25/53/396032553.db2.gz GDSWOVWTYWMJTK-UHFFFAOYSA-N 0 0 305.334 0.484 50 0 DCAARN CC(C)Cc1cc(C(=O)N[C@H]2C=CS(=O)(=O)C2)nc(N)n1 ZINC000067756783 396033303 /nfs/dbraw/zinc/03/33/03/396033303.db2.gz JCDPKYAPTXOSJI-VIFPVBQESA-N 0 0 310.379 0.298 50 0 DCAARN COC[C@@H]1CN(c2cnccn2)C[C@H]1C(=O)NCC(F)(F)F ZINC000257176796 396033967 /nfs/dbraw/zinc/03/39/67/396033967.db2.gz APTUBOONBOSUAO-VHSXEESVSA-N 0 0 318.299 0.854 50 0 DCAARN CCN1C(=O)CCN(C(=O)c2cnn(C)c2)CC12CCOCC2 ZINC000257184541 396034273 /nfs/dbraw/zinc/03/42/73/396034273.db2.gz IQOZNZWEAUEESM-UHFFFAOYSA-N 0 0 320.393 0.664 50 0 DCAARN Cc1[nH]c(=S)sc1CC(=O)NC[C@@H]1CCCS1(=O)=O ZINC000154220381 396034460 /nfs/dbraw/zinc/03/44/60/396034460.db2.gz XYLCWSUNXHMFKB-QMMMGPOBSA-N 0 0 320.461 0.976 50 0 DCAARN CN1CCN(C(=O)c2nn(CC3CC3)c3c2C[NH2+]CC3)CC1 ZINC000257195658 396036011 /nfs/dbraw/zinc/03/60/11/396036011.db2.gz WPBSYQHBNXHVEK-UHFFFAOYSA-N 0 0 303.410 0.326 50 0 DCAARN CCn1cc(CN2CCn3c(nn(CC4CC4)c3=O)C2)cn1 ZINC000257194328 396036158 /nfs/dbraw/zinc/03/61/58/396036158.db2.gz TWAVZAJLMPAJRR-UHFFFAOYSA-N 0 0 302.382 0.687 50 0 DCAARN CCS(=O)(=O)NCCn1c(=O)onc1-c1ccccc1C ZINC000068052731 396043838 /nfs/dbraw/zinc/04/38/38/396043838.db2.gz QORQTACDRWXQMV-UHFFFAOYSA-N 0 0 311.363 0.751 50 0 DCAARN CCOC(=O)[C@@]1(COC)CCCN(C(=O)N[C@@H]2CCOC2)C1 ZINC000252485279 396020598 /nfs/dbraw/zinc/02/05/98/396020598.db2.gz GQBSEKWCSSPSEG-DOMZBBRYSA-N 0 0 314.382 0.777 50 0 DCAARN CC[C@H](NC(=O)N1CC[C@@H](S(C)(=O)=O)C1)[C@@H]1CCCO1 ZINC000252484493 396021018 /nfs/dbraw/zinc/02/10/18/396021018.db2.gz FXPRTJCARURRPN-WOPDTQHZSA-N 0 0 304.412 0.773 50 0 DCAARN CCOc1cnc(C(=O)N[C@H](C)c2nnnn2C2CC2)cn1 ZINC000252505117 396021466 /nfs/dbraw/zinc/02/14/66/396021466.db2.gz VOPZECGGEMGSBJ-MRVPVSSYSA-N 0 0 303.326 0.688 50 0 DCAARN O=C(CN1CCN(C[C@@H](O)c2ccccc2)CC1)N1CCC1 ZINC000069666964 396086381 /nfs/dbraw/zinc/08/63/81/396086381.db2.gz PUKCSNGTVKKNMA-MRXNPFEDSA-N 0 0 303.406 0.570 50 0 DCAARN O=C([C@@H]1CCS(=O)(=O)C1)N1CCCC[C@@H]1Cn1cccn1 ZINC000069709360 396087409 /nfs/dbraw/zinc/08/74/09/396087409.db2.gz ZVPPBTCABTXUDH-CHWSQXEVSA-N 0 0 311.407 0.699 50 0 DCAARN O=C1OCC[C@@H]1N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000069771882 396089493 /nfs/dbraw/zinc/08/94/93/396089493.db2.gz DEBLDWGTTVAVKL-HOCLYGCPSA-N 0 0 320.389 0.359 50 0 DCAARN COCC(=O)N1CCN([C@@H]2CCN(CCC(C)C)C2=O)CC1 ZINC000169752138 396091205 /nfs/dbraw/zinc/09/12/05/396091205.db2.gz AHMLXNYYTZUSTK-CQSZACIVSA-N 0 0 311.426 0.424 50 0 DCAARN CC[C@@H](C)NC(=O)N1CC(n2cc(C(=O)NCC3CC3)nn2)C1 ZINC000169787547 396092556 /nfs/dbraw/zinc/09/25/56/396092556.db2.gz VXMHKWKTMIVKMA-SNVBAGLBSA-N 0 0 320.397 0.783 50 0 DCAARN CNC(=O)N1CCC([C@@H]2CCN(C(=O)c3cn(C)cn3)C2)CC1 ZINC000169789076 396093557 /nfs/dbraw/zinc/09/35/57/396093557.db2.gz MINRPAJOZJFRGP-CYBMUJFWSA-N 0 0 319.409 0.934 50 0 DCAARN Cc1ccn2ncc(C(=O)N3CCN(CC(C)(C)O)CC3)c2n1 ZINC000069876249 396093926 /nfs/dbraw/zinc/09/39/26/396093926.db2.gz FTZOWCRFQKHZJK-UHFFFAOYSA-N 0 0 317.393 0.566 50 0 DCAARN c1ncn(C[C@@H]2CN(Cc3cccc4c3OCCO4)CCO2)n1 ZINC000070006343 396097545 /nfs/dbraw/zinc/09/75/45/396097545.db2.gz SGAPFOUWZBNXTO-AWEZNQCLSA-N 0 0 316.361 0.950 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)COCCOc2ccccc2)CC1 ZINC000070020717 396097994 /nfs/dbraw/zinc/09/79/94/396097994.db2.gz LGAAZTWFWBHGBA-OAHLLOKOSA-N 0 0 322.405 0.607 50 0 DCAARN CCOCCN1CCN([C@H](C)C(=O)NCc2ccco2)CC1 ZINC000070021791 396098077 /nfs/dbraw/zinc/09/80/77/396098077.db2.gz JOBARWMHTXCYSR-CQSZACIVSA-N 0 0 309.410 0.938 50 0 DCAARN CCOc1ccc(S(=O)(=O)NC[C@@](C)(O)COC)cc1F ZINC000070655708 396102921 /nfs/dbraw/zinc/10/29/21/396102921.db2.gz GXGWYGKAINRQNZ-CYBMUJFWSA-N 0 0 321.370 0.900 50 0 DCAARN CCn1nc(C)c(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C ZINC000071195400 396111034 /nfs/dbraw/zinc/11/10/34/396111034.db2.gz BBBIWMFWTVNFOV-GFCCVEGCSA-N 0 0 313.423 0.756 50 0 DCAARN COc1cc(OC)cc(-n2ccc3c(nnc4ncnn43)c2=O)c1 ZINC000071376367 396113230 /nfs/dbraw/zinc/11/32/30/396113230.db2.gz CDUVPBWTPSQAOJ-UHFFFAOYSA-N 0 0 324.300 0.841 50 0 DCAARN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC ZINC000071375477 396113384 /nfs/dbraw/zinc/11/33/84/396113384.db2.gz RSLUZYWBLNPSQD-GFCCVEGCSA-N 0 0 300.380 0.986 50 0 DCAARN CN(C[C@@H](O)CO)C(=O)c1cc(COc2ccccc2F)[nH]n1 ZINC000071575670 396114168 /nfs/dbraw/zinc/11/41/68/396114168.db2.gz NWPGQGGOFYRDDT-LLVKDONJSA-N 0 0 323.324 0.553 50 0 DCAARN Cc1cc([C@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)no1 ZINC000071797381 396115541 /nfs/dbraw/zinc/11/55/41/396115541.db2.gz QACBCEUBKRPYBW-CYBMUJFWSA-N 0 0 304.350 0.718 50 0 DCAARN C[C@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000071812217 396115879 /nfs/dbraw/zinc/11/58/79/396115879.db2.gz WSWHRMDKKDPVNR-YUMQZZPRSA-N 0 0 304.393 0.645 50 0 DCAARN COc1cc(CNC(=O)C[C@@H]2CCCO2)ccc1OCC(N)=O ZINC000071815185 396116011 /nfs/dbraw/zinc/11/60/11/396116011.db2.gz WNVKHKMPKSXORE-LBPRGKRZSA-N 0 0 322.361 0.745 50 0 DCAARN O=C(CCCn1cncn1)N1CCC(N2CCNC2=O)CC1 ZINC000071819985 396116151 /nfs/dbraw/zinc/11/61/51/396116151.db2.gz RLYPNJWTTGTNQE-UHFFFAOYSA-N 0 0 306.370 0.075 50 0 DCAARN O=c1ccc(-n2cncn2)nn1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000071817135 396116321 /nfs/dbraw/zinc/11/63/21/396116321.db2.gz UJYKBDURWXERMH-STQMWFEESA-N 0 0 316.365 0.425 50 0 DCAARN C[C@@H](C(N)=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000071830910 396117707 /nfs/dbraw/zinc/11/77/07/396117707.db2.gz QGGCQEVMJNNXFV-NSHDSACASA-N 0 0 309.797 0.901 50 0 DCAARN O=C(c1sccc1-n1cnnn1)N1CCN(C2CC2)CC1 ZINC000071836669 396117807 /nfs/dbraw/zinc/11/78/07/396117807.db2.gz LUYFQPURUJLMJY-UHFFFAOYSA-N 0 0 304.379 0.644 50 0 DCAARN NC(=O)[C@@H](c1ccccc1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000071830561 396117980 /nfs/dbraw/zinc/11/79/80/396117980.db2.gz VRAWLFBVBURTFU-UONOGXRCSA-N 0 0 302.378 0.703 50 0 DCAARN Cn1cc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000071863651 396119847 /nfs/dbraw/zinc/11/98/47/396119847.db2.gz ACVIWVRMVZIIRO-MRXNPFEDSA-N 0 0 314.389 0.912 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000071880132 396122427 /nfs/dbraw/zinc/12/24/27/396122427.db2.gz GJAPKKDWBRQDGD-LLVKDONJSA-N 0 0 313.423 0.283 50 0 DCAARN CCOC(=O)NCCNC(=O)N1CCN(c2ncccn2)CC1 ZINC000071879967 396122819 /nfs/dbraw/zinc/12/28/19/396122819.db2.gz USYTZDUFIFROKK-UHFFFAOYSA-N 0 0 322.369 0.054 50 0 DCAARN C[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000071883533 396123859 /nfs/dbraw/zinc/12/38/59/396123859.db2.gz VXRLGLDBQHRKSI-SCZZXKLOSA-N 0 0 312.320 0.717 50 0 DCAARN C[C@@]1(C2CC2)NC(=O)N(CC(=O)OC2([C@@H]3CCOC3)CC2)C1=O ZINC000071913724 396124818 /nfs/dbraw/zinc/12/48/18/396124818.db2.gz WHHRSGUOKZLRNB-ABAIWWIYSA-N 0 0 322.361 0.819 50 0 DCAARN COC[C@H](C)NC(=O)N(C)C[C@H](O)COCCOC(C)C ZINC000071913540 396124837 /nfs/dbraw/zinc/12/48/37/396124837.db2.gz YNNUTRQMFWBVFH-STQMWFEESA-N 0 0 306.403 0.465 50 0 DCAARN Clc1snnc1CN1CCO[C@H](Cn2cncn2)C1 ZINC000072253367 396127316 /nfs/dbraw/zinc/12/73/16/396127316.db2.gz LMJFWTIXSANOGW-QMMMGPOBSA-N 0 0 300.775 0.684 50 0 DCAARN CC[C@H]1CN(C(=O)CN2CCn3c(nnc3C3CC3)C2)CCO1 ZINC000072268370 396128251 /nfs/dbraw/zinc/12/82/51/396128251.db2.gz QECOLNUZWAXROV-ZDUSSCGKSA-N 0 0 319.409 0.609 50 0 DCAARN COC(=O)c1cnc(/C=C/c2cn(C)c(=O)n(C)c2=O)s1 ZINC000072313374 396131388 /nfs/dbraw/zinc/13/13/88/396131388.db2.gz DWTKPEKKFQEGQN-SNAWJCMRSA-N 0 0 307.331 0.498 50 0 DCAARN CC(=O)N1CCN(C(=O)NCc2cccnc2N(C)C)CC1 ZINC000069351028 396075698 /nfs/dbraw/zinc/07/56/98/396075698.db2.gz SBKSVWPHRTTZOF-UHFFFAOYSA-N 0 0 305.382 0.521 50 0 DCAARN CN(CC(=O)N1CCC[C@@H](n2cccn2)C1)c1cnccn1 ZINC000069349691 396076134 /nfs/dbraw/zinc/07/61/34/396076134.db2.gz MQSHXRMZKYPGHU-CYBMUJFWSA-N 0 0 300.366 0.973 50 0 DCAARN Cc1noc([C@@H](C)N2CCN(CCN3CCCC3=O)CC2)n1 ZINC000069385507 396076693 /nfs/dbraw/zinc/07/66/93/396076693.db2.gz OFZCRCWHVFYFDJ-GFCCVEGCSA-N 0 0 307.398 0.679 50 0 DCAARN COC[C@]1(C)NC(=O)N(C[C@@H](O)COc2cccc(C)c2)C1=O ZINC000069418774 396078038 /nfs/dbraw/zinc/07/80/38/396078038.db2.gz HKQHITDFCLXJOJ-WBMJQRKESA-N 0 0 322.361 0.692 50 0 DCAARN Cc1noc(CN2CCN(c3ncnc4nc[nH]c43)CC2)n1 ZINC000069461017 396079789 /nfs/dbraw/zinc/07/97/89/396079789.db2.gz NYWFUFSJAXQYBM-UHFFFAOYSA-N 0 0 300.326 0.367 50 0 DCAARN C[C@H]1Oc2ccccc2N(CCC(=O)Nc2nn[nH]n2)C1=O ZINC000069535180 396082017 /nfs/dbraw/zinc/08/20/17/396082017.db2.gz XLGNYNLUIJROFN-MRVPVSSYSA-N 0 0 302.294 0.342 50 0 DCAARN COc1cccc(S(=O)(=O)CCN(C)CC(=O)N(C)C)c1 ZINC000069588994 396083636 /nfs/dbraw/zinc/08/36/36/396083636.db2.gz VQZKVNUWPCFDJH-UHFFFAOYSA-N 0 0 314.407 0.489 50 0 DCAARN CCN1C[C@@H](C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1=O ZINC000069570448 396083803 /nfs/dbraw/zinc/08/38/03/396083803.db2.gz KCYNDOBDEXCWOS-VIFPVBQESA-N 0 0 303.318 0.938 50 0 DCAARN CCOc1ccnc(N2CCN(C(=O)C3CCOCC3)CC2)n1 ZINC000069624694 396084643 /nfs/dbraw/zinc/08/46/43/396084643.db2.gz PBLKKEXSKHYDKV-UHFFFAOYSA-N 0 0 320.393 0.951 50 0 DCAARN Cn1cc(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCCCC2)cn1 ZINC000069620179 396084746 /nfs/dbraw/zinc/08/47/46/396084746.db2.gz ALNJXDMZEDWIBV-UONOGXRCSA-N 0 0 312.439 0.161 50 0 DCAARN CCN1CCO[C@H](C(=O)NCCc2nc3ccccc3n2C)C1 ZINC000074367718 396165737 /nfs/dbraw/zinc/16/57/37/396165737.db2.gz TZLOESWJFVUEKF-HNNXBMFYSA-N 0 0 316.405 0.953 50 0 DCAARN CCn1cnnc1CNC(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000075111247 396176836 /nfs/dbraw/zinc/17/68/36/396176836.db2.gz KBNNILMDOFKCOT-UHFFFAOYSA-N 0 0 304.354 0.603 50 0 DCAARN COC(=O)C1=C(C(C)=O)NN(c2ccccc2)[C@@H]1C(=O)OC ZINC000075286103 396178824 /nfs/dbraw/zinc/17/88/24/396178824.db2.gz KTCOESHXEDWQTQ-YPMHNXCESA-N 0 0 304.302 0.782 50 0 DCAARN Cc1cn2c(n1)CC[C@@H](NC(=O)C1CCN(C(N)=O)CC1)C2 ZINC000075573005 396181640 /nfs/dbraw/zinc/18/16/40/396181640.db2.gz VFBJSSNIXFQMGF-GFCCVEGCSA-N 0 0 305.382 0.413 50 0 DCAARN CCc1nc(C)ncc1C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000076045075 396193081 /nfs/dbraw/zinc/19/30/81/396193081.db2.gz CINMOTCHTWFJED-CYBMUJFWSA-N 0 0 316.365 0.988 50 0 DCAARN Cc1noc(COCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000076054107 396194549 /nfs/dbraw/zinc/19/45/49/396194549.db2.gz HRAIEBCSZLJICE-YPMHNXCESA-N 0 0 324.381 0.074 50 0 DCAARN C[C@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1N1CCOCC1 ZINC000076053102 396194966 /nfs/dbraw/zinc/19/49/66/396194966.db2.gz LKPCJJVMSOISCX-QWHCGFSZSA-N 0 0 312.414 0.004 50 0 DCAARN Cn1nc2c(cc1=O)CN(CC[S@](=O)c1ccccc1)CC2 ZINC000076064730 396195761 /nfs/dbraw/zinc/19/57/61/396195761.db2.gz BOLKAADGNVHQDX-JOCHJYFZSA-N 0 0 317.414 0.946 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)COCC(F)(F)F)CCO2)[nH]1 ZINC000078888625 396256237 /nfs/dbraw/zinc/25/62/37/396256237.db2.gz CHYIZXMHXJJCSI-QMMMGPOBSA-N 0 0 308.260 0.592 50 0 DCAARN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000282121615 396265325 /nfs/dbraw/zinc/26/53/25/396265325.db2.gz GLUGZTNFBOHSOF-BXKDBHETSA-N 0 0 319.365 0.430 50 0 DCAARN O=C(N[C@H]1CCOC2(CCOCC2)C1)c1ccc2nnnn2c1 ZINC000077321425 396218199 /nfs/dbraw/zinc/21/81/99/396218199.db2.gz XGGGMGMDEMOEFH-LBPRGKRZSA-N 0 0 317.349 0.582 50 0 DCAARN CN(CC(=O)N1CCOC[C@@H](CO)C1)Cc1ccc(F)cc1 ZINC000077457126 396223387 /nfs/dbraw/zinc/22/33/87/396223387.db2.gz NTKAZHIWKDSPTD-CQSZACIVSA-N 0 0 310.369 0.725 50 0 DCAARN O=S(=O)(Cc1c(F)cccc1F)NC[C@]1(O)CCOC1 ZINC000179605297 396228528 /nfs/dbraw/zinc/22/85/28/396228528.db2.gz VRHRRZGASNNIBY-GFCCVEGCSA-N 0 0 307.318 0.536 50 0 DCAARN COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1ccc(F)c(F)c1 ZINC000184913606 396310762 /nfs/dbraw/zinc/31/07/62/396310762.db2.gz IUFUSRBFOFTQDZ-GFCCVEGCSA-N 0 0 319.329 0.737 50 0 DCAARN CCc1n[nH]c(=O)c(CNC(=O)c2nnc(C)s2)c1CC ZINC000185482686 396328950 /nfs/dbraw/zinc/32/89/50/396328950.db2.gz KNXPIVZAQNCNMR-UHFFFAOYSA-N 0 0 307.379 0.985 50 0 DCAARN CN1CC(=O)N(CC(=O)N2CCN[C@@H](c3ccccc3)C2)C1=O ZINC000581115864 396527300 /nfs/dbraw/zinc/52/73/00/396527300.db2.gz VTGSXIKTRULMDX-CYBMUJFWSA-N 0 0 316.361 0.054 50 0 DCAARN Cc1nonc1CNC(=O)[C@@H](c1cccnc1)N1CCOCC1 ZINC000584889813 396633464 /nfs/dbraw/zinc/63/34/64/396633464.db2.gz BBNNCJOAXQCCIB-CQSZACIVSA-N 0 0 317.349 0.463 50 0 DCAARN CNC(=O)c1cccc(CNC(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000584890493 396633895 /nfs/dbraw/zinc/63/38/95/396633895.db2.gz LCVWPRZHERFHRW-CYBMUJFWSA-N 0 0 318.377 0.453 50 0 DCAARN Cc1nnnn1CCC(=O)N1CC[C@](O)(c2ccccc2)C1 ZINC000584893758 396634898 /nfs/dbraw/zinc/63/48/98/396634898.db2.gz OQZUGIJQQDMZEF-OAHLLOKOSA-N 0 0 301.350 0.492 50 0 DCAARN Cc1nn[nH]c1C(=O)NCc1nncn1CCc1ccccc1 ZINC000584896442 396635598 /nfs/dbraw/zinc/63/55/98/396635598.db2.gz DAAJGESTAIZJNG-UHFFFAOYSA-N 0 0 311.349 0.877 50 0 DCAARN Cc1ccc2[nH]c(CNC(=O)N3CCNC(=O)C3)nc2c1C ZINC000584897965 396635641 /nfs/dbraw/zinc/63/56/41/396635641.db2.gz UAZVQMXEPCRLQL-UHFFFAOYSA-N 0 0 301.350 0.821 50 0 DCAARN CCCN1C(=O)N[C@H](CC(=O)N2CCC(COC)CC2)C1=O ZINC000584897304 396635767 /nfs/dbraw/zinc/63/57/67/396635767.db2.gz YSAZQRNZGUWUBH-GFCCVEGCSA-N 0 0 311.382 0.592 50 0 DCAARN Cc1ncn(C)c1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000584899599 396636261 /nfs/dbraw/zinc/63/62/61/396636261.db2.gz BARCBVYKTMCUJW-UHFFFAOYSA-N 0 0 319.409 0.109 50 0 DCAARN CN1CCN([C@H]2CN(C(=O)Cc3cccs3)C[C@@H]2O)CC1 ZINC000584898970 396636369 /nfs/dbraw/zinc/63/63/69/396636369.db2.gz GIWYOUXNJGYWMT-KBPBESRZSA-N 0 0 309.435 0.110 50 0 DCAARN CCCc1ccc(C(=O)Cn2cc(S(N)(=O)=O)nn2)cc1 ZINC000585141209 396641412 /nfs/dbraw/zinc/64/14/12/396641412.db2.gz RJYMVSGUQHKIRA-UHFFFAOYSA-N 0 0 308.363 0.761 50 0 DCAARN Cn1cccc(C(=O)N2CCN(c3cnsn3)CC2)c1=O ZINC000585148751 396642145 /nfs/dbraw/zinc/64/21/45/396642145.db2.gz GGVGGNIVVVDSDG-UHFFFAOYSA-N 0 0 305.363 0.199 50 0 DCAARN Cc1cc(C(=O)NCCn2nc3c(cc2=O)CCCC3)n(C)n1 ZINC000585150011 396642160 /nfs/dbraw/zinc/64/21/60/396642160.db2.gz MOVGCLQLJODTHH-UHFFFAOYSA-N 0 0 315.377 0.594 50 0 DCAARN CN1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)Cc2ccccc21 ZINC000585141750 396642325 /nfs/dbraw/zinc/64/23/25/396642325.db2.gz XLIBKZGPWVFLPR-STQMWFEESA-N 0 0 308.403 0.598 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3N2)C1 ZINC000315009709 396787314 /nfs/dbraw/zinc/78/73/14/396787314.db2.gz DGPLSVDPYXBBTK-OCCSQVGLSA-N 0 0 323.418 0.563 50 0 DCAARN NC(=O)CN(CC(N)=O)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000625148760 396788510 /nfs/dbraw/zinc/78/85/10/396788510.db2.gz GNNCXSOCVJADFI-CHWSQXEVSA-N 0 0 303.362 0.370 50 0 DCAARN CN(Cc1ncc[nH]1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000600229085 396761748 /nfs/dbraw/zinc/76/17/48/396761748.db2.gz OTWXCWIBLNRFNR-UHFFFAOYSA-N 0 0 319.365 0.623 50 0 DCAARN C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000573910521 397217816 /nfs/dbraw/zinc/21/78/16/397217816.db2.gz XHFJDSIKRZCPIH-LLVKDONJSA-N 0 0 313.398 0.108 50 0 DCAARN CCc1ncnc(O[C@H]2CCN(C(=O)c3c[nH]c(=O)[nH]3)C2)c1F ZINC000390826968 397302114 /nfs/dbraw/zinc/30/21/14/397302114.db2.gz DDUAPADLGGEOSE-QMMMGPOBSA-N 0 0 321.312 0.900 50 0 DCAARN COc1ncccc1C(=O)NCc1nc(-c2cnn(C)c2)no1 ZINC000390831261 397303394 /nfs/dbraw/zinc/30/33/94/397303394.db2.gz QTTWYFAEVDHJFY-UHFFFAOYSA-N 0 0 314.305 0.804 50 0 DCAARN CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1csnc1C ZINC000408169223 397349112 /nfs/dbraw/zinc/34/91/12/397349112.db2.gz OPTLZEUYZPHWDA-SECBINFHSA-N 0 0 303.409 0.605 50 0 DCAARN COc1cccc(C(=O)NC2CCN(c3nnnn3C)CC2)c1 ZINC000370755517 397520492 /nfs/dbraw/zinc/52/04/92/397520492.db2.gz BYMXNZNQILTNNH-UHFFFAOYSA-N 0 0 316.365 0.618 50 0 DCAARN Cc1ccc(S(=O)(=O)n2nc(N(C)C)nc2N(C)C)cc1 ZINC000003104977 292187087 /nfs/dbraw/zinc/18/70/87/292187087.db2.gz ROUHTCVLRZDSSQ-UHFFFAOYSA-N 0 0 309.395 0.956 50 0 DCAARN CCO[C@H]1C[C@H](NC(=O)C2(S(N)(=O)=O)CC2)C1(CC)CC ZINC000408522455 286524764 /nfs/dbraw/zinc/52/47/64/286524764.db2.gz JLEYWQAJHQFSCJ-QWRGUYRKSA-N 0 0 318.439 0.908 50 0 DCAARN O=C(c1ccsc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000049428080 158010636 /nfs/dbraw/zinc/01/06/36/158010636.db2.gz HDVPEILHORPKNW-GFCCVEGCSA-N 0 0 314.432 0.693 50 0 DCAARN COc1cccc2c1OC[C@H](NC(=O)c1ccc(=O)n(C)n1)C2 ZINC000077311252 158068072 /nfs/dbraw/zinc/06/80/72/158068072.db2.gz KXEXOSFTFOBIDV-LLVKDONJSA-N 0 0 315.329 0.522 50 0 DCAARN Cc1ccc(C(=O)N2CCCn3nnnc32)cc1S(C)(=O)=O ZINC000329106261 159063689 /nfs/dbraw/zinc/06/36/89/159063689.db2.gz OQTZHIAEIOXFND-UHFFFAOYSA-N 0 0 321.362 0.436 50 0 DCAARN CN(C)S(=O)(=O)CCN1CCN(Cc2ccncc2)CC1 ZINC000330367963 159164338 /nfs/dbraw/zinc/16/43/38/159164338.db2.gz IYEFSVGWZFSIEQ-UHFFFAOYSA-N 0 0 312.439 0.091 50 0 DCAARN Cn1cnn(CC(=O)N2CCOc3cccc(F)c3C2)c1=O ZINC000367273165 159325942 /nfs/dbraw/zinc/32/59/42/159325942.db2.gz ASCFFMCFQUYSDD-UHFFFAOYSA-N 0 0 306.297 0.142 50 0 DCAARN CN(Cc1nncn1C)C(=O)[C@]1(O)CCc2ccccc2C1 ZINC000368189009 159379979 /nfs/dbraw/zinc/37/99/79/159379979.db2.gz ZOZGAPMNXLHWNW-INIZCTEOSA-N 0 0 300.362 0.694 50 0 DCAARN Cc1noc2ncc(C(=O)N3CCC[C@H](S(N)(=O)=O)C3)cc12 ZINC000408017973 160012832 /nfs/dbraw/zinc/01/28/32/160012832.db2.gz WSRYWARIQPSBPE-JTQLQIEISA-N 0 0 324.362 0.424 50 0 DCAARN NS(=O)(=O)C1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000408103663 160036338 /nfs/dbraw/zinc/03/63/38/160036338.db2.gz IRBCYVVTUOMCCU-UHFFFAOYSA-N 0 0 310.301 0.753 50 0 DCAARN CC(C)Cn1c(=O)c2c(nc3n2[C@H](C)C(C)N=N3)n(C)c1=O ZINC000010333124 415149869 /nfs/dbraw/zinc/14/98/69/415149869.db2.gz RZDKFBJNGCZZCP-SECBINFHSA-N 0 0 304.354 0.915 50 0 DCAARN Cc1noc(C)c1CCN1CNc2c(c(=O)n(C)c(=O)n2C)C1 ZINC000020320272 415154527 /nfs/dbraw/zinc/15/45/27/415154527.db2.gz CRDGOZJYQZIOGM-UHFFFAOYSA-N 0 0 319.365 0.117 50 0 DCAARN O=C1CCC(=O)N1c1c(F)c(F)nc(N2CCOCC2)c1F ZINC000002488757 415125877 /nfs/dbraw/zinc/12/58/77/415125877.db2.gz HUIBXFJJXZBSOU-UHFFFAOYSA-N 0 0 315.251 0.989 50 0 DCAARN CCCCOC(=O)C1=C(C)N[C@@]2(O)c3ccccc3C(=O)[C@@]12O ZINC000006507087 415134891 /nfs/dbraw/zinc/13/48/91/415134891.db2.gz MIQWYWWCDGGBGC-DLBZAZTESA-N 0 0 317.341 0.980 50 0 biogenic DCAARN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)cc1 ZINC000007304961 415136499 /nfs/dbraw/zinc/13/64/99/415136499.db2.gz CMIOPQRJUXBWSM-LBPRGKRZSA-N 0 0 310.375 0.775 50 0 DCAARN C[C@@H](OC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000007034044 415137322 /nfs/dbraw/zinc/13/73/22/415137322.db2.gz JANBPAHONQPWCG-BXKDBHETSA-N 0 0 306.318 0.835 50 0 DCAARN CCCn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3C)n(C)c1=O ZINC000010386972 415149472 /nfs/dbraw/zinc/14/94/72/415149472.db2.gz AYRPXBUAMBCXJY-SECBINFHSA-N 0 0 304.354 0.693 50 0 DCAARN CCOC(=O)C1=C(CSc2cccc[n+]2[O-])NC(=O)NC1 ZINC000026093529 415164848 /nfs/dbraw/zinc/16/48/48/415164848.db2.gz NTAZDLPZQMOJDD-UHFFFAOYSA-N 0 0 309.347 0.542 50 0 DCAARN Cc1cccc(OC[C@@H](O)CN2CCN(CCO)CC2)c1C ZINC000026780489 415169013 /nfs/dbraw/zinc/16/90/13/415169013.db2.gz DEUUWULPTJQSML-INIZCTEOSA-N 0 0 308.422 0.653 50 0 DCAARN NC(=O)CN1CCN(Cc2nc(Cc3ccccc3)no2)CC1 ZINC000027720721 415173939 /nfs/dbraw/zinc/17/39/39/415173939.db2.gz JCIUIECYXMVRDD-UHFFFAOYSA-N 0 0 315.377 0.263 50 0 DCAARN CNC(=O)c1c(-c2ccc(F)cc2)nc2n1CCS2(=O)=O ZINC000035477035 415189170 /nfs/dbraw/zinc/18/91/70/415189170.db2.gz QQSIXEKFJUPDNX-UHFFFAOYSA-N 0 0 309.322 0.836 50 0 DCAARN Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)N1CCN(C)CC1)O2 ZINC000040778887 415197570 /nfs/dbraw/zinc/19/75/70/415197570.db2.gz XYRGQENNRSCEBM-MRXNPFEDSA-N 0 0 303.362 0.859 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1n[nH]c(=O)c2ccccc21 ZINC000044907913 415232336 /nfs/dbraw/zinc/23/23/36/415232336.db2.gz USORVKZCJQHBAH-VIFPVBQESA-N 0 0 321.358 0.088 50 0 DCAARN C[C@@H](CNC(=O)CCNS(C)(=O)=O)N(C)c1ccccc1 ZINC000044941541 415234583 /nfs/dbraw/zinc/23/45/83/415234583.db2.gz GJSLPTJKBXFYQR-LBPRGKRZSA-N 0 0 313.423 0.567 50 0 DCAARN C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000044948787 415238281 /nfs/dbraw/zinc/23/82/81/415238281.db2.gz WRIIVPBNYDAGRV-JTQLQIEISA-N 0 0 313.375 0.550 50 0 DCAARN C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000044948791 415238928 /nfs/dbraw/zinc/23/89/28/415238928.db2.gz WRIIVPBNYDAGRV-SNVBAGLBSA-N 0 0 313.375 0.550 50 0 DCAARN CNS(=O)(=O)c1ccc(CNC(=O)Nc2cn[nH]c2)cc1 ZINC000045707539 415251768 /nfs/dbraw/zinc/25/17/68/415251768.db2.gz GPYGWKJAHBJYGB-UHFFFAOYSA-N 0 0 309.351 0.640 50 0 DCAARN CCCCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(OC)CC1 ZINC000046042476 415253454 /nfs/dbraw/zinc/25/34/54/415253454.db2.gz GDOGYBBVCQILJL-NSHDSACASA-N 0 0 306.428 0.732 50 0 DCAARN CN1C[C@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)CC1=O ZINC000046166511 415255920 /nfs/dbraw/zinc/25/59/20/415255920.db2.gz AVDISBZDQFBSTB-HUUCEWRRSA-N 0 0 301.390 0.980 50 0 DCAARN CC1(C)Oc2cc(S(=O)(=O)NCCCO)ccc2NC1=O ZINC000046088699 415256640 /nfs/dbraw/zinc/25/66/40/415256640.db2.gz YBACIFRPDZNPEA-UHFFFAOYSA-N 0 0 314.363 0.457 50 0 DCAARN CN(CCCNC(=O)CCc1ccccc1O)S(C)(=O)=O ZINC000046688053 415258330 /nfs/dbraw/zinc/25/83/30/415258330.db2.gz NXRJPOHZOBEQOH-UHFFFAOYSA-N 0 0 314.407 0.723 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000046448964 415259696 /nfs/dbraw/zinc/25/96/96/415259696.db2.gz RMULPAOPXFMXML-GFCCVEGCSA-N 0 0 322.236 0.897 50 0 DCAARN COc1ccc(COCC(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000044816842 415226572 /nfs/dbraw/zinc/22/65/72/415226572.db2.gz SFVRROGQFHZPTR-UHFFFAOYSA-N 0 0 306.362 0.936 50 0 DCAARN Cn1ccc(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)n1 ZINC000044896280 415231289 /nfs/dbraw/zinc/23/12/89/415231289.db2.gz OSWWFDWRBOJJDJ-NSHDSACASA-N 0 0 317.271 0.932 50 0 DCAARN CN1C[C@@H](C(=O)NCCOc2ccc3c(c2)OCO3)CC1=O ZINC000048230476 415287122 /nfs/dbraw/zinc/28/71/22/415287122.db2.gz WJFSFKKCEZRQBR-JTQLQIEISA-N 0 0 306.318 0.389 50 0 DCAARN C[C@@H](NC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)C(N)=O ZINC000048235271 415287496 /nfs/dbraw/zinc/28/74/96/415287496.db2.gz FWWNKJHHOXWTPQ-OCCSQVGLSA-N 0 0 320.393 0.060 50 0 DCAARN O=C(NCCNc1cnccn1)c1ccnc(-n2ccnc2)c1 ZINC000048320554 415291201 /nfs/dbraw/zinc/29/12/01/415291201.db2.gz DZNXEAGBWUOSQY-UHFFFAOYSA-N 0 0 309.333 0.899 50 0 DCAARN CC(=O)N1CCCN(C(=O)c2nc3nccc(C)n3n2)CC1 ZINC000055198946 415331902 /nfs/dbraw/zinc/33/19/02/415331902.db2.gz GGESOQYZQIHWLH-UHFFFAOYSA-N 0 0 302.338 0.127 50 0 DCAARN C[C@H]1CN(CCN2CCCC2=O)CCN1Cc1nccn1C ZINC000069453993 415399542 /nfs/dbraw/zinc/39/95/42/415399542.db2.gz QNJKGEHBFBZMAJ-AWEZNQCLSA-N 0 0 305.426 0.549 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC000071881758 415411101 /nfs/dbraw/zinc/41/11/01/415411101.db2.gz LTKHMOKFSAXSAG-HUUCEWRRSA-N 0 0 311.426 0.160 50 0 DCAARN CN1CCN([C@H]2CN(C(=O)CCC3CCCC3)C[C@@H]2O)CC1 ZINC000067561222 415380538 /nfs/dbraw/zinc/38/05/38/415380538.db2.gz ZYLCQGWDQASEAZ-HOTGVXAUSA-N 0 0 309.454 0.776 50 0 DCAARN Cc1nonc1OCCNCC(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000067694497 415384286 /nfs/dbraw/zinc/38/42/86/415384286.db2.gz PUBADIGFHYNXET-UHFFFAOYSA-N 0 0 316.321 0.283 50 0 DCAARN O=C(N[C@@H]1CCNC1=O)c1cc(COc2cccc(F)c2)n[nH]1 ZINC000067834248 415384449 /nfs/dbraw/zinc/38/44/49/415384449.db2.gz VQNJAKMEWFFZHK-GFCCVEGCSA-N 0 0 318.308 0.746 50 0 DCAARN Cn1cc(/C=C/C(=O)N2CC[C@@]3(C2)CCCN(C)C3=O)cn1 ZINC000067714689 415385820 /nfs/dbraw/zinc/38/58/20/415385820.db2.gz GWKIOMLBOMENRY-DWTRPJMMSA-N 0 0 302.378 0.904 50 0 DCAARN CC[C@]1(C)C(=O)NCCN1C(=O)Cc1c(C)nc(C)[nH]c1=O ZINC000067739533 415386803 /nfs/dbraw/zinc/38/68/03/415386803.db2.gz OODHNZIOEBRJHH-OAHLLOKOSA-N 0 0 306.366 0.056 50 0 DCAARN COC(=O)NCC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000084713742 415499420 /nfs/dbraw/zinc/49/94/20/415499420.db2.gz UHXHZOFFAAHZQM-PHIMTYICSA-N 0 0 322.365 0.990 50 0 DCAARN Cn1cccc1[C@H](O)CNC(=O)C(=O)NCc1cccs1 ZINC000075155142 415439434 /nfs/dbraw/zinc/43/94/34/415439434.db2.gz KDWROBKNLYGTHS-GFCCVEGCSA-N 0 0 307.375 0.553 50 0 DCAARN COC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)C2CC2)cc1 ZINC000075170332 415441947 /nfs/dbraw/zinc/44/19/47/415441947.db2.gz KSPMJVNTQATLPR-AWEZNQCLSA-N 0 0 313.375 0.913 50 0 DCAARN COCCCN1CC2(CC1=O)CCN(c1nccc(N)n1)CC2 ZINC000095379599 415556218 /nfs/dbraw/zinc/55/62/18/415556218.db2.gz YZFILTIATNZXBX-UHFFFAOYSA-N 0 0 319.409 0.914 50 0 DCAARN Cc1ncc(S(C)(=O)=O)c(NCCc2nnc(N)s2)n1 ZINC000095386613 415557285 /nfs/dbraw/zinc/55/72/85/415557285.db2.gz AHTNRNGRIYMTLV-UHFFFAOYSA-N 0 0 314.396 0.277 50 0 DCAARN CC(=O)N[C@@H]1CCN(c2nc(N)[nH+]c(C)c2CCC(=O)[O-])C1 ZINC000095374643 415557373 /nfs/dbraw/zinc/55/73/73/415557373.db2.gz YAARVHMIBODOAL-SNVBAGLBSA-N 0 0 307.354 0.099 50 0 DCAARN Cn1nnc(-c2ccc(C(=O)N3CCc4[nH]cnc4C3)cc2)n1 ZINC000095374166 415558099 /nfs/dbraw/zinc/55/80/99/415558099.db2.gz GWORFWCQDNREDG-UHFFFAOYSA-N 0 0 309.333 0.799 50 0 DCAARN O=C(N[C@H]1CCCCNC1=O)c1coc(CN2CCOCC2)c1 ZINC000095378114 415559190 /nfs/dbraw/zinc/55/91/90/415559190.db2.gz UBVSIKJUFALLTL-AWEZNQCLSA-N 0 0 321.377 0.510 50 0 DCAARN CSc1cncc(N2CCN(Cc3nnc(C)[nH]3)CC2)n1 ZINC000097095844 415582023 /nfs/dbraw/zinc/58/20/23/415582023.db2.gz TYNCSOGIZTVRGQ-UHFFFAOYSA-N 0 0 305.411 0.947 50 0 DCAARN O=C(NC1CC1)[C@@H]1CCC[C@H](NC(=O)[C@@]2(O)CCSC2)C1 ZINC000108149964 415675487 /nfs/dbraw/zinc/67/54/87/415675487.db2.gz WWMCJXZXVLLCIW-IFUGULHKSA-N 0 0 312.435 0.808 50 0 DCAARN COC(=O)c1ccc(CN2CCN(C(=O)[C@@H](C)O)CC2)cc1 ZINC000152996503 415972800 /nfs/dbraw/zinc/97/28/00/415972800.db2.gz AFRFYFPAWWZVIG-GFCCVEGCSA-N 0 0 306.362 0.498 50 0 DCAARN Cc1[nH]c(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)c(C)c1C(=O)[O-] ZINC000299772916 416065304 /nfs/dbraw/zinc/06/53/04/416065304.db2.gz CVZXOXPRPBFHRB-LBPRGKRZSA-N 0 0 323.393 0.906 50 0 DCAARN CN(C)C(=O)NCC(=O)NC[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000299768519 416065753 /nfs/dbraw/zinc/06/57/53/416065753.db2.gz JXYWFEMJSDVNCS-GFCCVEGCSA-N 0 0 318.377 0.427 50 0 DCAARN Cn1cnnc1SCC(=O)NCCCn1cc(Cl)cn1 ZINC000299764838 416065935 /nfs/dbraw/zinc/06/59/35/416065935.db2.gz NALXTZOTQRSEHK-UHFFFAOYSA-N 0 0 314.802 0.964 50 0 DCAARN O=C(c1ccc(CO)cc1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299777819 416066843 /nfs/dbraw/zinc/06/68/43/416066843.db2.gz LGKONCVQVDMEGJ-LSDHHAIUSA-N 0 0 314.345 0.756 50 0 DCAARN COCCc1noc([C@H](C)NC(=O)Cc2c(C)[nH][nH]c2=O)n1 ZINC000299783599 416067778 /nfs/dbraw/zinc/06/77/78/416067778.db2.gz WXGIRUDVMUVSFC-QMMMGPOBSA-N 0 0 309.326 0.003 50 0 DCAARN O=C(CCc1cn[nH]c1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299778150 416068348 /nfs/dbraw/zinc/06/83/48/416068348.db2.gz FRXNVQPOWIDQPS-STQMWFEESA-N 0 0 302.338 0.306 50 0 DCAARN CC(=O)N1CCO[C@H](CNC(=O)c2ccn(C(F)F)n2)C1 ZINC000299786842 416068765 /nfs/dbraw/zinc/06/87/65/416068765.db2.gz XZTRLHBOBMUXMA-SECBINFHSA-N 0 0 302.281 0.255 50 0 DCAARN Cc1c(Cl)c(C(=O)N2C[C@H]([NH+](C)C)C[C@H]2C(=O)[O-])nn1C ZINC000299790905 416068818 /nfs/dbraw/zinc/06/88/18/416068818.db2.gz CADHEDNMJIGWNY-BDAKNGLRSA-N 0 0 314.773 0.611 50 0 DCAARN CCS(=O)(=O)[C@H](C)C(=O)N1CCc2c(nc(C)[nH]c2=O)C1 ZINC000299795827 416071944 /nfs/dbraw/zinc/07/19/44/416071944.db2.gz PBDAUZNHUBFOBJ-MRVPVSSYSA-N 0 0 313.379 0.199 50 0 DCAARN O=C(COC[C@H]1CCCO1)NCCc1noc(C(F)(F)F)n1 ZINC000299801870 416071968 /nfs/dbraw/zinc/07/19/68/416071968.db2.gz QOKLZYCRGRJGGJ-MRVPVSSYSA-N 0 0 323.271 0.943 50 0 DCAARN Cn1ncc2c1nc(N1CCC(c3cc(N)n[nH]3)CC1)[nH]c2=O ZINC000329124121 416151348 /nfs/dbraw/zinc/15/13/48/416151348.db2.gz SCTIPRNDRNZIAF-UHFFFAOYSA-N 0 0 314.353 0.758 50 0 DCAARN Cc1cccc(F)c1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000195578884 416326792 /nfs/dbraw/zinc/32/67/92/416326792.db2.gz ISXKBWOTALSHBU-UHFFFAOYSA-N 0 0 315.414 0.660 50 0 DCAARN O=C([O-])c1n[nH]cc1C[N@@H+]1CCCO[C@@H](CN2CCOCC2)C1 ZINC000215341620 416327196 /nfs/dbraw/zinc/32/71/96/416327196.db2.gz LORNRGTXHLKTJH-ZDUSSCGKSA-N 0 0 324.381 0.031 50 0 DCAARN CN(Cc1cnc(N2CCOCC2)nc1)Cc1cnccn1 ZINC000215631964 416327322 /nfs/dbraw/zinc/32/73/22/416327322.db2.gz LKOUMZYMAOUIQS-UHFFFAOYSA-N 0 0 300.366 0.735 50 0 DCAARN CSCC[C@H](O)C(=O)NCCc1nnc(-c2cccnc2)[nH]1 ZINC000216180046 416327529 /nfs/dbraw/zinc/32/75/29/416327529.db2.gz XDXMEEDTSIAVSJ-NSHDSACASA-N 0 0 321.406 0.639 50 0 DCAARN COC(=O)CN(CC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000239654472 416330183 /nfs/dbraw/zinc/33/01/83/416330183.db2.gz BNWZUNYRIDYALN-UHFFFAOYSA-N 0 0 314.354 0.151 50 0 DCAARN CC(C)COCCN1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 ZINC000242389404 416330270 /nfs/dbraw/zinc/33/02/70/416330270.db2.gz ZWYMQYPWIDRXPD-CQSZACIVSA-N 0 0 315.439 0.864 50 0 DCAARN CC(C)(C)OC(=O)CN1CCC(CNS(C)(=O)=O)CC1 ZINC000241862527 416330462 /nfs/dbraw/zinc/33/04/62/416330462.db2.gz SQVJMRZRTFGRDW-UHFFFAOYSA-N 0 0 306.428 0.589 50 0 DCAARN Cc1nnnn1CCC(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000244715984 416330651 /nfs/dbraw/zinc/33/06/51/416330651.db2.gz LGHPOXPNCLDWKL-HUBLWGQQSA-N 0 0 316.365 0.395 50 0 DCAARN Cn1ccc2ccc(CN3CCNC(=O)[C@@H]3CC(=O)[O-])cc21 ZINC000244723613 416330740 /nfs/dbraw/zinc/33/07/40/416330740.db2.gz MEMBLLVNDJUAHJ-AWEZNQCLSA-N 0 0 301.346 0.953 50 0 DCAARN Cc1nc(CC(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)cs1 ZINC000244641283 416330783 /nfs/dbraw/zinc/33/07/83/416330783.db2.gz GMTSFBFIYFBWAG-UHFFFAOYSA-N 0 0 320.378 0.097 50 0 DCAARN Nc1n[nH]c(CCNC(=O)c2ccccc2N2CCOCC2)n1 ZINC000534645948 416507531 /nfs/dbraw/zinc/50/75/31/416507531.db2.gz SOOGQZIZQDSGMB-UHFFFAOYSA-N 0 0 316.365 0.196 50 0 DCAARN CC(C)c1cc(C(=O)NC2(C(N)=O)CCCCC2)nc(N)n1 ZINC000584893903 416515785 /nfs/dbraw/zinc/51/57/85/416515785.db2.gz QQJNWCYJOUJEPH-UHFFFAOYSA-N 0 0 305.382 1.100 50 0 DCAARN Nc1n[nH]c(SCC(=O)N2CCC(Cn3ccnc3)CC2)n1 ZINC000584899341 416516934 /nfs/dbraw/zinc/51/69/34/416516934.db2.gz GFRJCUQHXHZMHL-UHFFFAOYSA-N 0 0 321.410 0.614 50 0 DCAARN CC(C)(C)n1nnnc1CN1CCN(CC(F)(F)CO)CC1 ZINC000585116078 416518193 /nfs/dbraw/zinc/51/81/93/416518193.db2.gz GSQNWXQENKPVJZ-UHFFFAOYSA-N 0 0 318.372 0.173 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2[C@H](C)O)C1 ZINC000585113761 416518578 /nfs/dbraw/zinc/51/85/78/416518578.db2.gz GCQBJJOPOAZIKS-YNEHKIRRSA-N 0 0 318.439 0.420 50 0 DCAARN O=C(c1ccc2nsnc2c1)N1CC(Nc2cccnn2)C1 ZINC000585148841 416520087 /nfs/dbraw/zinc/52/00/87/416520087.db2.gz JEVYHRCVSCOKAF-UHFFFAOYSA-N 0 0 312.358 1.418 50 0 DCAARN COCc1nc(NCc2nccn2C)cc([C@@H]2CCOC2)n1 ZINC000426387338 416763101 /nfs/dbraw/zinc/76/31/01/416763101.db2.gz VSZXOGLCHJVVJL-LLVKDONJSA-N 0 0 303.366 1.473 50 0 DCAARN COc1ccc(CCS(=O)(=O)NC[C@@]2(O)CCOC2)cc1 ZINC000575415684 417535001 /nfs/dbraw/zinc/53/50/01/417535001.db2.gz OHCTVALBQSYTGP-AWEZNQCLSA-N 0 0 315.391 0.309 50 0 DCAARN CC(C)S(=O)(=O)N1CCC(F)(C(=O)N2CCOCC2)CC1 ZINC000575554899 417540388 /nfs/dbraw/zinc/54/03/88/417540388.db2.gz RPULQRHTFFDSIQ-UHFFFAOYSA-N 0 0 322.402 0.388 50 0 DCAARN O=S(=O)(NCCn1cc(-c2ccncc2)cn1)N1CCCC1 ZINC000575613297 417540785 /nfs/dbraw/zinc/54/07/85/417540785.db2.gz ZQMWXPBSEXOGMM-UHFFFAOYSA-N 0 0 321.406 0.875 50 0 DCAARN O=C(Cn1ncccc1=O)NCc1nccnc1-c1ccoc1 ZINC000575619191 417541663 /nfs/dbraw/zinc/54/16/63/417541663.db2.gz AQUPZKKALIHRHB-UHFFFAOYSA-N 0 0 311.301 0.610 50 0 DCAARN Cn1nc(C(=O)NCc2cn(-c3cccs3)nn2)ccc1=O ZINC000575617178 417541747 /nfs/dbraw/zinc/54/17/47/417541747.db2.gz QGXRUIHSURGYHE-UHFFFAOYSA-N 0 0 316.346 0.353 50 0 DCAARN Cn1cc(C(=O)N[C@]2(CO)COc3ccccc3C2)ccc1=O ZINC000529824281 417514435 /nfs/dbraw/zinc/51/44/35/417514435.db2.gz YJYJMGLOENBDTK-QGZVFWFLSA-N 0 0 314.341 0.481 50 0 DCAARN CN1N=C(C(=O)N[C@@]2(CO)COc3ccccc3C2)CCC1=O ZINC000529821643 417515722 /nfs/dbraw/zinc/51/57/22/417515722.db2.gz VMIFZROOQNYOHM-INIZCTEOSA-N 0 0 317.345 0.077 50 0 DCAARN Cc1cc(CC(=O)N2CCc3nc(C)n(C)c(=O)c3CC2)on1 ZINC000299776911 229427171 /nfs/dbraw/zinc/42/71/71/229427171.db2.gz ICGXESBUVVLVDL-UHFFFAOYSA-N 0 0 316.361 0.555 50 0 DCAARN CN1CCN(C(=O)CCS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC000363093929 262097664 /nfs/dbraw/zinc/09/76/64/262097664.db2.gz NNBWSKOFYXTIFH-CQSZACIVSA-N 0 0 310.419 0.936 50 0 DCAARN COC1=C(C(=O)N2CCOCC2)S(=O)(=O)c2ccccc21 ZINC000045068750 262518713 /nfs/dbraw/zinc/51/87/13/262518713.db2.gz KZGSCPALQWZFFC-UHFFFAOYSA-N 0 0 309.343 0.648 50 0 DCAARN CCc1ncc(S(=O)(=O)NCc2nncn2CC)s1 ZINC000359217132 271104056 /nfs/dbraw/zinc/10/40/56/271104056.db2.gz BRPJVARRMFJTDA-UHFFFAOYSA-N 0 0 301.397 0.795 50 0 DCAARN CS(=O)(=O)CCC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000488583103 272046874 /nfs/dbraw/zinc/04/68/74/272046874.db2.gz OOAYZEJICNIFRJ-NSHDSACASA-N 0 0 313.375 0.767 50 0 DCAARN CCNC(=O)[C@@H](C)NS(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000519790819 272510092 /nfs/dbraw/zinc/51/00/92/272510092.db2.gz PHTCPJXCRSEZGS-SNVBAGLBSA-N 0 0 320.411 0.164 50 0 DCAARN CNC(=O)[C@H]1CCCN1c1ccc2nnc(C(F)(F)F)n2n1 ZINC000048363894 277013055 /nfs/dbraw/zinc/01/30/55/277013055.db2.gz CLWRTDRBRZFUPD-SSDOTTSWSA-N 0 0 314.271 0.858 50 0 DCAARN CC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000037170406 277033494 /nfs/dbraw/zinc/03/34/94/277033494.db2.gz METIVGZGXUMKTI-LBPRGKRZSA-N 0 0 307.350 0.384 50 0 DCAARN CC(=O)[C@@H]1[C@@H](c2ccncc2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000006576684 278232473 /nfs/dbraw/zinc/23/24/73/278232473.db2.gz QOZFGMFRFZUXQD-KKZNHRDASA-N 0 0 303.240 0.892 50 0 DCAARN CC(=O)[C@@H]1[C@H](c2ccncc2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000004057546 278232945 /nfs/dbraw/zinc/23/29/45/278232945.db2.gz QOZFGMFRFZUXQD-WCABBAIRSA-N 0 0 303.240 0.892 50 0 DCAARN CC(C)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCc2cncn2C1 ZINC000408523086 279199749 /nfs/dbraw/zinc/19/97/49/279199749.db2.gz ORUGOLSWZHUIDQ-OCCSQVGLSA-N 0 0 304.394 0.819 50 0 DCAARN Cc1nn(C)c2nc(N(C)[C@@H]3CCS(=O)(=O)C3)sc12 ZINC000095508489 279207891 /nfs/dbraw/zinc/20/78/91/279207891.db2.gz HUVMIQGVVMYLIO-MRVPVSSYSA-N 0 0 300.409 0.962 50 0 DCAARN CCN1C[C@@]2(CCCN(C(=O)Cn3ccnn3)C2)CCC1=O ZINC000299775577 279443712 /nfs/dbraw/zinc/44/37/12/279443712.db2.gz KCUCPDCGGFOZBH-OAHLLOKOSA-N 0 0 305.382 0.529 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)[C@H]2CCCN(C(C)=O)C2)CC1 ZINC000071881760 280206434 /nfs/dbraw/zinc/20/64/34/280206434.db2.gz LTKHMOKFSAXSAG-LSDHHAIUSA-N 0 0 311.426 0.160 50 0 DCAARN CCc1ccc(OCC(=O)N[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000058264613 281409369 /nfs/dbraw/zinc/40/93/69/281409369.db2.gz TVBNZJBDEFPCTN-CYBMUJFWSA-N 0 0 320.389 0.991 50 0 DCAARN CC1=C(C(=O)OCC(C)C)[C@@]2(O)C(=O)c3ccccc3[C@@]2(O)N1 ZINC000004157032 281657522 /nfs/dbraw/zinc/65/75/22/281657522.db2.gz KKSGPNXLNMLXTO-SJORKVTESA-N 0 0 317.341 0.836 50 0 DCAARN CN(CC(=O)NC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000014019589 289476206 /nfs/dbraw/zinc/47/62/06/289476206.db2.gz QGLKURORMPKWNP-CYBMUJFWSA-N 0 0 302.440 0.944 50 0 DCAARN C[C@H](Sc1nnc(C2CCCCC2)n1N)C(=O)NC(N)=O ZINC000002637203 290192707 /nfs/dbraw/zinc/19/27/07/290192707.db2.gz XOWCFBJETWOLBZ-ZETCQYMHSA-N 0 0 312.399 0.715 50 0 DCAARN Cn1c(=O)[nH]c(=O)c2c1NC(=O)N[C@@H]2c1ccc(Cl)cc1 ZINC000020729076 294135576 /nfs/dbraw/zinc/13/55/76/294135576.db2.gz REFSHMBSPGVEEK-SECBINFHSA-N 0 0 306.709 0.952 50 0 DCAARN Cn1cc(NC(=O)c2cc(C(F)(F)F)nn2C)c(C(N)=O)n1 ZINC000002771173 294266961 /nfs/dbraw/zinc/26/69/61/294266961.db2.gz MIFJBAXAGSJDRB-UHFFFAOYSA-N 0 0 316.243 0.524 50 0 DCAARN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1nn2c(nccc2=O)s1 ZINC000106179983 295127719 /nfs/dbraw/zinc/12/77/19/295127719.db2.gz JKWXXCOEQMSREW-GUBZILKMSA-N 0 0 319.390 0.774 50 0 DCAARN Cc1[nH][nH]c(=O)c1CC(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000077564749 300901431 /nfs/dbraw/zinc/90/14/31/300901431.db2.gz KIVLIFLOAQLDTK-LLVKDONJSA-N 0 0 309.366 0.811 50 0 DCAARN Cn1cccc1[C@H]1COCCN1C(=O)CN1CCCCC1=O ZINC000097144022 302983645 /nfs/dbraw/zinc/98/36/45/302983645.db2.gz MXEMAIGFJBBKDB-CQSZACIVSA-N 0 0 305.378 0.938 50 0 DCAARN [NH3+]C1(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)CC1 ZINC000091595652 303354712 /nfs/dbraw/zinc/35/47/12/303354712.db2.gz SKOVRMROOBFXNU-WDEREUQCSA-N 0 0 318.329 0.533 50 0 DCAARN O=C(CCN1CCCCCC1=O)N1CC[C@]2(C1)CCCNC2=O ZINC000091382094 303581245 /nfs/dbraw/zinc/58/12/45/303581245.db2.gz IDEIPXKZRZBICE-KRWDZBQOSA-N 0 0 321.421 0.908 50 0 DCAARN O=C(CCc1cn[nH]c1)N1CC[C@]2(C1)CCCN(CCO)C2=O ZINC000091651398 303592679 /nfs/dbraw/zinc/59/26/79/303592679.db2.gz MKSVLIGAZNVXLX-INIZCTEOSA-N 0 0 320.393 0.176 50 0 DCAARN Cc1ccc(S(C)(=O)=O)cc1NCC(=O)N1CCNC1=O ZINC000011037257 331522057 /nfs/dbraw/zinc/52/20/57/331522057.db2.gz PITXMQUFVMUAEQ-UHFFFAOYSA-N 0 0 311.363 0.362 50 0 DCAARN O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1ccc(=O)[nH]c1 ZINC000215966387 333387441 /nfs/dbraw/zinc/38/74/41/333387441.db2.gz UZTNQNQUTNMLJM-LBPRGKRZSA-N 0 0 313.361 0.811 50 0 DCAARN CCc1nc(S(=O)(=O)N[C@H]2COC[C@@H]2N2CCCC2)c[nH]1 ZINC000534581269 334289321 /nfs/dbraw/zinc/28/93/21/334289321.db2.gz VGQVJIPUVYDCTP-QWRGUYRKSA-N 0 0 314.411 0.114 50 0 DCAARN CCN1CCN(C(=O)N[C@@H](C)c2nncn2CCCOC)CC1 ZINC000534591431 334294244 /nfs/dbraw/zinc/29/42/44/334294244.db2.gz JKIQLZXOGBMWSG-ZDUSSCGKSA-N 0 0 324.429 0.723 50 0 DCAARN CCc1[nH]nc(C(=O)N[C@H]2COC[C@@H]2N2CCOCC2)c1C ZINC000534590964 334294377 /nfs/dbraw/zinc/29/43/77/334294377.db2.gz OWEBNSUTXRHTQJ-STQMWFEESA-N 0 0 308.382 0.110 50 0 DCAARN CN(C)C(=O)CCCNC(=O)NC[C@H](O)c1cccc(O)c1 ZINC000534676298 334323557 /nfs/dbraw/zinc/32/35/57/334323557.db2.gz RUPZIYIKHILPDO-ZDUSSCGKSA-N 0 0 309.366 0.593 50 0 DCAARN NC(=O)c1ccc(N2CCC(C(=O)N3CCOCC3)CC2)nc1 ZINC000580660468 341893982 /nfs/dbraw/zinc/89/39/82/341893982.db2.gz SRDOGMORSOBTRA-UHFFFAOYSA-N 0 0 318.377 0.256 50 0 DCAARN CCc1nc([C@@H]2CCCN(S(=O)(=O)[C@@H]3CCOC3)C2)no1 ZINC000069703535 517862328 /nfs/dbraw/zinc/86/23/28/517862328.db2.gz KUHCNRVBHZPCTC-GHMZBOCLSA-N 0 0 315.395 0.930 50 0 DCAARN O=C(CN1CCOCC1)NCCc1noc(C(F)(F)F)n1 ZINC000299787004 534540985 /nfs/dbraw/zinc/54/09/85/534540985.db2.gz RCNQJZJOOWXBJL-UHFFFAOYSA-N 0 0 308.260 0.079 50 0 DCAARN COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)N(C)C1CCC(C)CC1 ZINC000158727231 523788956 /nfs/dbraw/zinc/78/89/56/523788956.db2.gz GDQZRCQQEDMJRB-HOAMVYINSA-N 0 0 312.410 0.632 50 0 DCAARN Cc1ccc(-n2[n-]c(C(=O)N3CC[NH2+][C@H](C)C3)cc2=O)cc1 ZINC000188370380 525890970 /nfs/dbraw/zinc/89/09/70/525890970.db2.gz BWHRSFVXYYIMCH-GFCCVEGCSA-N 0 0 300.362 0.908 50 0 DCAARN CC1(C)SC[C@H](C(=O)NCCc2noc(C3CC3)n2)NC1=O ZINC000299787500 527821472 /nfs/dbraw/zinc/82/14/72/527821472.db2.gz MOFGONHBQNTKNQ-SECBINFHSA-N 0 0 324.406 0.616 50 0 DCAARN CNC(=O)CN1C(=O)C(C)=C(c2ccc(OC)cc2)S1(=O)=O ZINC000035534646 545644415 /nfs/dbraw/zinc/64/44/15/545644415.db2.gz VRSFUQDMBBLUQD-UHFFFAOYSA-N 0 0 324.358 0.344 50 0 DCAARN O=C([O-])c1ccc(N2C(=O)C[C@@H](N3CCC(O)CC3)C2=O)cc1 ZINC000215705138 545937125 /nfs/dbraw/zinc/93/71/25/545937125.db2.gz MJORMDDQZWDCTM-CYBMUJFWSA-N 0 0 318.329 0.473 50 0 DCAARN Cc1ccccc1OC[C@@H](O)C(=O)NCCN1CCCC1=O ZINC000215909498 545938997 /nfs/dbraw/zinc/93/89/97/545938997.db2.gz IGKGSPGQWUIXLM-CYBMUJFWSA-N 0 0 306.362 0.473 50 0 DCAARN Cc1ccc([C@H](C(=O)N2CCC(O)(CO)CC2)N(C)C)cc1 ZINC000222343710 545942013 /nfs/dbraw/zinc/94/20/13/545942013.db2.gz NDKGKEDYVKREBP-OAHLLOKOSA-N 0 0 306.406 0.944 50 0 DCAARN COCc1noc(CNC(=O)Cc2ccc3c(c2)OCO3)n1 ZINC000222948717 545942698 /nfs/dbraw/zinc/94/26/98/545942698.db2.gz LNPZGIIXTOGKNE-UHFFFAOYSA-N 0 0 305.290 0.804 50 0 DCAARN Cc1cc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)no1 ZINC000239235858 545960924 /nfs/dbraw/zinc/96/09/24/545960924.db2.gz WWQCLVLBDLKRQQ-AVYYWPKPSA-N 0 0 320.301 0.662 50 0 DCAARN O=C(c1ccon1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000329108759 546043484 /nfs/dbraw/zinc/04/34/84/546043484.db2.gz PQTZMOYPGNACSY-MNOVXSKESA-N 0 0 314.363 0.483 50 0 DCAARN CCCn1cnnc1CNS(=O)(=O)c1ccnn1C(C)C ZINC000670454192 547097616 /nfs/dbraw/zinc/09/76/16/547097616.db2.gz XPGNKDYBSQMYGD-UHFFFAOYSA-N 0 0 312.399 0.944 50 0 DCAARN CNC(=O)C[C@@H]1CCN(C(=O)CCN2CCCCCC2=O)C1 ZINC000670462629 547098922 /nfs/dbraw/zinc/09/89/22/547098922.db2.gz XSGNHMZUYSQGMT-ZDUSSCGKSA-N 0 0 309.410 0.764 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(Cc2ccccc2F)C(=O)C1 ZINC000670461922 547098967 /nfs/dbraw/zinc/09/89/67/547098967.db2.gz ZUUCZWCITUJXFY-UHFFFAOYSA-N 0 0 315.370 0.276 50 0 DCAARN CCc1cc(N2CCN(CCn3cnnc3C)CC2)ncn1 ZINC000670473578 547101111 /nfs/dbraw/zinc/10/11/11/547101111.db2.gz CKOPTFMRDRRCAS-UHFFFAOYSA-N 0 0 301.398 0.761 50 0 DCAARN Cc1ccsc1[C@@H](O)CNS(=O)(=O)c1cnn(C)c1 ZINC000206699620 563634861 /nfs/dbraw/zinc/63/48/61/563634861.db2.gz MSGHOGKCHCDRTG-JTQLQIEISA-N 0 0 301.393 0.802 50 0 DCAARN NC(=O)c1cccc2c1CCN(C(=O)N[C@@H]1CC[S@@](=O)C1)C2 ZINC000888101596 661180675 /nfs/dbraw/zinc/18/06/75/661180675.db2.gz HCMHLCXEZGHMJQ-RKFFSXRUSA-N 0 0 321.402 0.374 50 0 DCAARN C[C@@H](C1CC1)N(C)S(=O)(=O)NCCCOc1ncccn1 ZINC000874432915 665175299 /nfs/dbraw/zinc/17/52/99/665175299.db2.gz BBBQYHWIZQRSJA-NSHDSACASA-N 0 0 314.411 0.810 50 0 DCAARN O=C([C@H]1CCN(c2ccccc2)C1=O)N1CCS(=O)(=O)CC1 ZINC000011818826 666216347 /nfs/dbraw/zinc/21/63/47/666216347.db2.gz NSDCZXFALJQYEH-CYBMUJFWSA-N 0 0 322.386 0.297 50 0 DCAARN O=C(NCCc1cnccn1)N[C@@H]1CCN(C2CCC2)C1=O ZINC000858345603 670994913 /nfs/dbraw/zinc/99/49/13/670994913.db2.gz QILUOKRZPCWQSD-CYBMUJFWSA-N 0 0 303.366 0.472 50 0 DCAARN Cc1cc(C)n(C[C@H](C)NC(=O)CSc2nncn2C)n1 ZINC000952967271 685599236 /nfs/dbraw/zinc/59/92/36/685599236.db2.gz YYKRXRALGLSNJC-JTQLQIEISA-N 0 0 308.411 0.925 50 0 DCAARN COc1cc(NC(=O)CCNC(C)=O)cc(-n2cnnn2)c1 ZINC000952986599 685601769 /nfs/dbraw/zinc/60/17/69/685601769.db2.gz IIXQXMGCGVTYRK-UHFFFAOYSA-N 0 0 304.310 0.136 50 0 DCAARN CC(C)Nc1nnccc1C(=O)NCC1N=NC(=S)N1C ZINC000952993089 685603344 /nfs/dbraw/zinc/60/33/44/685603344.db2.gz BPMFMDLWFHLUDR-UHFFFAOYSA-N 0 0 307.383 0.644 50 0 DCAARN C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cccc(F)c3F)CN2C1=O ZINC000014533097 685047985 /nfs/dbraw/zinc/04/79/85/685047985.db2.gz RXWAIUPFMYQUAW-FYBVGQRMSA-N 0 0 323.299 0.182 50 0 DCAARN Cc1cccc(C(=O)N2CCN3C(=O)[C@H](C)N(C)C(=O)[C@H]3C2)c1 ZINC000014746419 685048366 /nfs/dbraw/zinc/04/83/66/685048366.db2.gz RLVWVMJZZLUSSU-GXTWGEPZSA-N 0 0 315.373 0.509 50 0 DCAARN CCCCc1nc(C)cc(NCCNC(=O)[C@H]2CCC(=O)N2)n1 ZINC000019112480 685051528 /nfs/dbraw/zinc/05/15/28/685051528.db2.gz HCOMFFMRARPPRO-GFCCVEGCSA-N 0 0 319.409 0.934 50 0 DCAARN CN(C)C(=O)N1CCn2nc(CNc3ncccn3)cc2C1 ZINC000082107861 685082904 /nfs/dbraw/zinc/08/29/04/685082904.db2.gz UTBYTOGXKXXXHB-UHFFFAOYSA-N 0 0 301.354 0.782 50 0 DCAARN CN1C(=O)C[C@H](C(=O)[O-])C12CCN(c1cc[nH+]c(N)c1)CC2 ZINC000095373638 685111343 /nfs/dbraw/zinc/11/13/43/685111343.db2.gz RCWHFRIVPGVPNK-LLVKDONJSA-N 0 0 304.350 0.566 50 0 DCAARN CCc1c(C)nn(CC(=O)N2CCC([C@@H](O)CO)CC2)c1C ZINC001772701648 1157840865 /nfs/dbraw/zinc/84/08/65/1157840865.db2.gz LYRJUIMNLBQNFF-HNNXBMFYSA-N 0 0 309.410 0.654 50 0 DCAARN CCn1nc(C)c(CNC(=O)c2cnc(C(N)=O)cn2)c1C ZINC001772703077 1157841519 /nfs/dbraw/zinc/84/15/19/1157841519.db2.gz XSLHGLSFJUPLKU-UHFFFAOYSA-N 0 0 302.338 0.339 50 0 DCAARN CCC[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 ZINC001772705646 1157843791 /nfs/dbraw/zinc/84/37/91/1157843791.db2.gz MHBWRXBCSSBDAU-UONOGXRCSA-N 0 0 309.410 0.620 50 0 DCAARN CCNC(=O)C[N@@H+]1CC[C@H](O)[C@@](Cc2ccccc2)(C(=O)[O-])C1 ZINC001704302685 1179966452 /nfs/dbraw/zinc/96/64/52/1179966452.db2.gz BWOJRMNYAMVZBB-YOEHRIQHSA-N 0 0 320.389 0.503 50 0 DCAARN COC(=O)N1CCCC[C@H]1C(=O)N(CCO)Cc1c[nH]c(C)n1 ZINC001704302760 1179967077 /nfs/dbraw/zinc/96/70/77/1179967077.db2.gz AYYVBLHDBWNLJJ-ZDUSSCGKSA-N 0 0 324.381 0.660 50 0 DCAARN COc1ccc([C@H](O)C(=O)N(CCO)Cc2ncc[nH]2)cc1 ZINC001704313046 1179969419 /nfs/dbraw/zinc/96/94/19/1179969419.db2.gz LAHZWKALAHMFNR-AWEZNQCLSA-N 0 0 305.334 0.473 50 0 DCAARN O=C(c1n[nH]c2c1CCC2)N1C[C@@H](Cc2ccncc2)[C@H](O)C1 ZINC001704337444 1179977116 /nfs/dbraw/zinc/97/71/16/1179977116.db2.gz ZDVKIORQWYUIFQ-IUODEOHRSA-N 0 0 312.373 0.969 50 0 DCAARN CO[C@@H]1CCC[C@@]12CCCN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001704337909 1179977520 /nfs/dbraw/zinc/97/75/20/1179977520.db2.gz HAJJQUAVBIJJQT-WBMJQRKESA-N 0 0 321.377 0.757 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cncc(O)c3)C[C@@H]2O)on1 ZINC001704338440 1179977967 /nfs/dbraw/zinc/97/79/67/1179977967.db2.gz AJPYUILJOPUPJF-RISCZKNCSA-N 0 0 303.318 0.759 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cn(C)nc3C)C[C@H]2O)[nH]n1 ZINC001704349546 1179981357 /nfs/dbraw/zinc/98/13/57/1179981357.db2.gz APHDGMUXQKJPNN-BXUZGUMPSA-N 0 0 303.366 0.436 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)C[C@H]2O)[nH]n1 ZINC001704349722 1179981463 /nfs/dbraw/zinc/98/14/63/1179981463.db2.gz FASCCAMNBCWOHS-TZMCWYRMSA-N 0 0 316.361 0.092 50 0 DCAARN Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 ZINC001704353118 1179982390 /nfs/dbraw/zinc/98/23/90/1179982390.db2.gz RRTVGQJZLGFVEM-CQSZACIVSA-N 0 0 317.389 0.852 50 0 DCAARN CCS(=O)(=O)CC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 ZINC001704354182 1179982605 /nfs/dbraw/zinc/98/26/05/1179982605.db2.gz VLVRLLUTLVYWEU-OLZOCXBDSA-N 0 0 312.391 0.190 50 0 DCAARN Cn1cc(S(=O)(=O)NCC2(OCCO)CCCC2)cn1 ZINC000888107032 747313326 /nfs/dbraw/zinc/31/33/26/747313326.db2.gz PEXHLDNRFQBDDG-UHFFFAOYSA-N 0 0 303.384 0.020 50 0 DCAARN CCN1[C@@H]2CCCC[C@@]2(C(=O)NCCOC)CCS1(=O)=O ZINC000675011132 748025632 /nfs/dbraw/zinc/02/56/32/748025632.db2.gz OWPAAKUQSRKRJA-TZMCWYRMSA-N 0 0 318.439 0.733 50 0 DCAARN COC[C@]12CN(C(C)=O)C[C@H]1CN(C(=O)c1ccn(C)n1)CC2 ZINC000675022384 748028099 /nfs/dbraw/zinc/02/80/99/748028099.db2.gz ZIRJSFRQYMYVTD-CJNGLKHVSA-N 0 0 320.393 0.377 50 0 DCAARN COCCNS(=O)(=O)c1cc2c(cc1C)NC(=O)[C@@H](C)O2 ZINC000675029993 748028790 /nfs/dbraw/zinc/02/87/90/748028790.db2.gz FSEYDQWEUKYYDV-SECBINFHSA-N 0 0 314.363 0.639 50 0 DCAARN CCS(=O)(=O)N1CCN(C(=O)[C@@H](C)Cn2cccn2)CC1 ZINC000823413018 758246247 /nfs/dbraw/zinc/24/62/47/758246247.db2.gz LSJNMPVNISBMPM-LBPRGKRZSA-N 0 0 314.411 0.013 50 0 DCAARN CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)N2CCCC2)CC1 ZINC000823830659 758279503 /nfs/dbraw/zinc/27/95/03/758279503.db2.gz CHEDFWLGAZGOIZ-HAQNSBGRSA-N 0 0 303.428 0.469 50 0 DCAARN COCCc1nc(CNC(=O)CCc2c(C)nn(C)c2C)no1 ZINC000824462395 758775050 /nfs/dbraw/zinc/77/50/50/758775050.db2.gz BPFGFZYPVUTYOY-UHFFFAOYSA-N 0 0 321.381 0.858 50 0 DCAARN COc1cccc(OC[C@H](O)CNC(=O)c2ccnn2C)c1 ZINC000824785262 758785311 /nfs/dbraw/zinc/78/53/11/758785311.db2.gz VKBZYLKOAXJWHK-LLVKDONJSA-N 0 0 305.334 0.598 50 0 DCAARN O=C(CCn1cnnn1)NCc1csc(-c2cnccn2)n1 ZINC000827822477 758887210 /nfs/dbraw/zinc/88/72/10/758887210.db2.gz TWFFODMGOQBPPW-UHFFFAOYSA-N 0 0 316.350 0.293 50 0 DCAARN Cc1cccc(NC(=O)CCNC(=O)Cn2cccnc2=O)c1 ZINC000828066230 758922017 /nfs/dbraw/zinc/92/20/17/758922017.db2.gz WCFGVGWGQBQASM-UHFFFAOYSA-N 0 0 314.345 0.697 50 0 DCAARN CCOCC(=O)N1CCC2(CC1)[C@@H](OC)C(=O)N2CC1CC1 ZINC000581803235 760253310 /nfs/dbraw/zinc/25/33/10/760253310.db2.gz SDXIEIGUVCXCGT-AWEZNQCLSA-N 0 0 310.394 0.651 50 0 DCAARN CCNC(=O)N1CCC2(C[C@@H]3C(=O)N(CC)C(=O)N3C2)CC1 ZINC000581803793 760253985 /nfs/dbraw/zinc/25/39/85/760253985.db2.gz VTATXHVEJMCINF-LLVKDONJSA-N 0 0 308.382 0.855 50 0 DCAARN CNc1nc(C)c(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C(=O)[O-])C2)s1 ZINC000219554054 766271067 /nfs/dbraw/zinc/27/10/67/766271067.db2.gz WXXGERMREURDIW-YMTOWFKASA-N 0 0 324.406 0.582 50 0 DCAARN CC(C)C[C@H](C)OC(=O)N1CCN2CCS(=O)(=O)C[C@H]2C1 ZINC000585115372 766285075 /nfs/dbraw/zinc/28/50/75/766285075.db2.gz YAAUNZNULMSJEE-QWHCGFSZSA-N 0 0 318.439 0.972 50 0 DCAARN CC[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC000585121019 766287751 /nfs/dbraw/zinc/28/77/51/766287751.db2.gz CDXLFRISBMJCGC-MFKMUULPSA-N 0 0 323.368 0.643 50 0 DCAARN CN(CC(=O)N1CCSC[C@H]1C(C)(C)C)S(C)(=O)=O ZINC000585124446 766288597 /nfs/dbraw/zinc/28/85/97/766288597.db2.gz DJMAUZVSMACAGF-JTQLQIEISA-N 0 0 308.469 0.868 50 0 DCAARN COCC(=O)N[C@@H](C(C)C)[C@H](NC(=O)COC)C(F)(F)F ZINC000585127648 766289840 /nfs/dbraw/zinc/28/98/40/766289840.db2.gz GIVBXMGUQOSORL-QWRGUYRKSA-N 0 0 314.304 0.467 50 0 DCAARN COC(=O)c1c(NC(=O)COC[C@@H]2CCCO2)nc2n1CCC2 ZINC000585126377 766289825 /nfs/dbraw/zinc/28/98/25/766289825.db2.gz XPWPQUXBWRWGBP-JTQLQIEISA-N 0 0 323.349 0.750 50 0 DCAARN C[C@@H]1C[C@H](C(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CC(C)(C)C1 ZINC000585130760 766292029 /nfs/dbraw/zinc/29/20/29/766292029.db2.gz BEHUHJSIGZPICJ-WRWGMCAJSA-N 0 0 309.410 0.494 50 0 DCAARN C[C@@H]1COc2ccccc2CN1C(=O)CNS(=O)(=O)C1CC1 ZINC000952845061 768910255 /nfs/dbraw/zinc/91/02/55/768910255.db2.gz RLZXLMSNQUYTPX-LLVKDONJSA-N 0 0 324.402 0.878 50 0 DCAARN CC(C)Cc1cc(C(=O)NCCN2CCCC2=O)[nH]c(=O)n1 ZINC000952868909 768925421 /nfs/dbraw/zinc/92/54/21/768925421.db2.gz CBOUAJIZLFFPKV-UHFFFAOYSA-N 0 0 306.366 0.733 50 0 DCAARN CC(C)Cc1cc(C(=O)N[C@@H]2CCCCNC2=O)[nH]c(=O)n1 ZINC000952871955 768933930 /nfs/dbraw/zinc/93/39/30/768933930.db2.gz DRKPPVYCXBDZLP-LLVKDONJSA-N 0 0 306.366 0.779 50 0 DCAARN C=CS(=O)(=O)CCC(=O)Nc1ccc(N(C)C(C)=O)nc1 ZINC000952881136 768947946 /nfs/dbraw/zinc/94/79/46/768947946.db2.gz QITPFMTXEPOJRA-UHFFFAOYSA-N 0 0 311.363 0.951 50 0 DCAARN CCOc1ccc(OCCN2C(=O)NC3(CC(O)C3)C2=O)cc1 ZINC000952884911 768955247 /nfs/dbraw/zinc/95/52/47/768955247.db2.gz RCKNFWKCHQQHMZ-UHFFFAOYSA-N 0 0 320.345 0.909 50 0 DCAARN CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cccc(O)c2)C[C@@H]1O ZINC001529120783 1014498465 /nfs/dbraw/zinc/49/84/65/1014498465.db2.gz JXEJXQBMGKAVJF-JSGCOSHPSA-N 0 0 314.407 0.076 50 0 DCAARN CCn1cc(C(=O)N2C[C@@H](Cc3cc(C)no3)[C@H](O)C2)cn1 ZINC001529113325 1014498899 /nfs/dbraw/zinc/49/88/99/1014498899.db2.gz FCZHJRWDSBNDFA-BXUZGUMPSA-N 0 0 304.350 0.875 50 0 DCAARN COCCn1cnnc1CN(C)c1ccc(C(=O)N(C)C)cn1 ZINC001529173188 1014513068 /nfs/dbraw/zinc/51/30/68/1014513068.db2.gz NDRHTZCWQRNCPY-UHFFFAOYSA-N 0 0 318.381 0.658 50 0 DCAARN CC(C)C(=O)NCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 ZINC001529180704 1014513761 /nfs/dbraw/zinc/51/37/61/1014513761.db2.gz JEFKADLVQRQWNA-GDBMZVCRSA-N 0 0 320.389 0.720 50 0 DCAARN C[N@@H+]1C[C@H](NC(=O)/C=C/c2cc(CO)cs2)C[C@H]1C(=O)[O-] ZINC001506419571 1017266089 /nfs/dbraw/zinc/26/60/89/1017266089.db2.gz FWBGYZWKPVZVDM-AKDQNTJRSA-N 0 0 310.375 0.527 50 0 DCAARN COCc1nnc(NC(=O)COc2c[nH]c(C)cc2=O)s1 ZINC000095480780 185373540 /nfs/dbraw/zinc/37/35/40/185373540.db2.gz UPECTYWFNGTIPL-UHFFFAOYSA-N 0 0 310.335 0.699 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N1CC[C@H](Oc2cccnn2)C1 ZINC000225419038 201704253 /nfs/dbraw/zinc/70/42/53/201704253.db2.gz XUMAUXDVPDAEPL-NSHDSACASA-N 0 0 324.362 0.923 50 0 DCAARN O=C(CS(=O)(=O)c1nc[nH]n1)N1CCC(c2ccccc2)=N1 ZINC000079000046 185143844 /nfs/dbraw/zinc/14/38/44/185143844.db2.gz URTKIGMUNHAPDA-UHFFFAOYSA-N 0 0 319.346 0.215 50 0 DCAARN Cn1cccc1CNC(=O)CN1C(=O)CC2(CCCC2)C1=O ZINC000079478191 185173088 /nfs/dbraw/zinc/17/30/88/185173088.db2.gz NYSKWNPQPJDSIC-UHFFFAOYSA-N 0 0 303.362 0.961 50 0 DCAARN Cc1ccn(-c2cc(N3CCN(S(C)(=O)=O)CC3)ncn2)n1 ZINC000082230545 185174431 /nfs/dbraw/zinc/17/44/31/185174431.db2.gz ILPATFBMAZMYNO-UHFFFAOYSA-N 0 0 322.394 0.052 50 0 DCAARN C[C@@H](Cn1cncn1)NC(=O)NCc1csc(N(C)C)n1 ZINC000083214320 185220225 /nfs/dbraw/zinc/22/02/25/185220225.db2.gz ZQGCYTXLOGHRQG-VIFPVBQESA-N 0 0 309.399 0.689 50 0 DCAARN CN(C)c1ccc(O[C@H]2CCN(C(=O)N3CCOCC3)C2)nn1 ZINC000225449733 201711485 /nfs/dbraw/zinc/71/14/85/201711485.db2.gz YKIJEXHLZRKCAU-LBPRGKRZSA-N 0 0 321.381 0.448 50 0 DCAARN CC[C@H]1CN(C(=O)COc2cc(C)on2)CCN1CCOC ZINC000089949224 185271197 /nfs/dbraw/zinc/27/11/97/185271197.db2.gz DTANAPLMJYAHRH-ZDUSSCGKSA-N 0 0 311.382 0.931 50 0 DCAARN CN(C)c1ccc(O[C@@H]2CCN(C(=O)N3CCNC3=O)C2)nn1 ZINC000225449857 201712187 /nfs/dbraw/zinc/71/21/87/201712187.db2.gz VZDHEXQEUHDEQP-SNVBAGLBSA-N 0 0 320.353 0.141 50 0 DCAARN Cc1ncsc1CCC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000082107029 192356084 /nfs/dbraw/zinc/35/60/84/192356084.db2.gz REWSPRRMAJFCNV-UHFFFAOYSA-N 0 0 317.436 0.488 50 0 DCAARN Cn1cnnc1SCCNC(=O)c1cnn2c1OCCC2 ZINC000090626847 185307549 /nfs/dbraw/zinc/30/75/49/185307549.db2.gz QEUVXSZZGTVXST-UHFFFAOYSA-N 0 0 308.367 0.316 50 0 DCAARN O=C(c1cnn2c1CCCC2)N1CC[C@]2(CC(=O)NC2=O)C1 ZINC000082115310 192357415 /nfs/dbraw/zinc/35/74/15/192357415.db2.gz QGLHNPMXKXMQIK-HNNXBMFYSA-N 0 0 302.334 0.098 50 0 DCAARN CNC(=O)NC(=O)COc1ccc(/C=C\C(=O)OC)cc1OC ZINC000096988735 185395257 /nfs/dbraw/zinc/39/52/57/185395257.db2.gz GWOMCNQVEMHONF-ALCCZGGFSA-N 0 0 322.317 0.716 50 0 DCAARN C[C@@H](Cn1cccn1)C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000082146322 192361532 /nfs/dbraw/zinc/36/15/32/192361532.db2.gz NSBWTURWWOSBBR-NSHDSACASA-N 0 0 314.411 0.059 50 0 DCAARN CO[C@@H](C)CCNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000095395473 185352764 /nfs/dbraw/zinc/35/27/64/185352764.db2.gz BXHLDQPGYXWRPA-DTWKUNHWSA-N 0 0 311.304 0.874 50 0 DCAARN Cn1cc(S(=O)(=O)NC[C@@](C)(O)c2ccsc2)cn1 ZINC000095433173 185363857 /nfs/dbraw/zinc/36/38/57/185363857.db2.gz RVHBQVIOPVOEOO-LLVKDONJSA-N 0 0 301.393 0.668 50 0 DCAARN C[C@H](C(=O)N1CCOCC1)N1CCN(c2ncccc2F)CC1 ZINC000095433672 185363960 /nfs/dbraw/zinc/36/39/60/185363960.db2.gz UMZRHPYFTJACMY-CYBMUJFWSA-N 0 0 322.384 0.590 50 0 DCAARN Cc1ccc(/C=C/C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)o1 ZINC000095435304 185364753 /nfs/dbraw/zinc/36/47/53/185364753.db2.gz KHBVSVMZYSQFIF-BTDICHCPSA-N 0 0 312.391 0.999 50 0 DCAARN C[C@@H](NC(=O)C(F)(F)C1(O)CCC1)C(=O)NCc1ccco1 ZINC000095435217 185364768 /nfs/dbraw/zinc/36/47/68/185364768.db2.gz ZBJFNXDYDXNFQV-SECBINFHSA-N 0 0 316.304 0.951 50 0 DCAARN O=C(NCCN1CCOCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000097016351 185397488 /nfs/dbraw/zinc/39/74/88/185397488.db2.gz ZAPULQDBNHIBSJ-ZBFHGGJFSA-N 0 0 311.426 0.655 50 0 DCAARN CN(C)c1cc(CNC(=O)Nc2nccn(C)c2=O)ccn1 ZINC000095466900 185372170 /nfs/dbraw/zinc/37/21/70/185372170.db2.gz ZRLGUPFHQUIMAD-UHFFFAOYSA-N 0 0 302.338 0.563 50 0 DCAARN C[C@@H](OC(=O)c1cn2ccccc2n1)C(=O)NC(=O)NC1CC1 ZINC000095469749 185372435 /nfs/dbraw/zinc/37/24/35/185372435.db2.gz MXNUPLNSIJUXPD-SECBINFHSA-N 0 0 316.317 0.868 50 0 DCAARN CN1NN=C2C1=NCC[C@H]2C(=O)N1CCOC2(CCCCC2)C1 ZINC000408517114 529831455 /nfs/dbraw/zinc/83/14/55/529831455.db2.gz KNHBJPLJTRTGLJ-GFCCVEGCSA-N 0 0 319.409 0.773 50 0 DCAARN CNC(=O)c1nn(CN2CCOC[C@@H]2C)c(=O)c2ccccc21 ZINC000025481486 190650261 /nfs/dbraw/zinc/65/02/61/190650261.db2.gz ZNRQUDQVTJCCSV-NSHDSACASA-N 0 0 316.361 0.434 50 0 DCAARN Cc1ccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)n1C ZINC000025467377 190650436 /nfs/dbraw/zinc/65/04/36/190650436.db2.gz RURLVELBXZQBIJ-UHFFFAOYSA-N 0 0 313.423 0.621 50 0 DCAARN CCS(=O)(=O)NCC(=O)N1CCCc2sccc2C1 ZINC000225520167 201724380 /nfs/dbraw/zinc/72/43/80/201724380.db2.gz PRFMFIMZQFHUFI-UHFFFAOYSA-N 0 0 302.421 0.962 50 0 DCAARN CN(C)c1ncc(CN(C)c2cnn(C)c(=O)c2Cl)cn1 ZINC000225564892 201731173 /nfs/dbraw/zinc/73/11/73/201731173.db2.gz KRHJWZGIHVZFEB-UHFFFAOYSA-N 0 0 308.773 0.926 50 0 DCAARN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CN1C(=O)CN(C)C1=O ZINC000330980452 529976293 /nfs/dbraw/zinc/97/62/93/529976293.db2.gz PHHSQAKIALTURE-UHFFFAOYSA-N 0 0 321.381 0.560 50 0 DCAARN COCCNS(=O)(=O)c1ccc(OCC(N)=O)c(Cl)c1 ZINC000226687945 201784818 /nfs/dbraw/zinc/78/48/18/201784818.db2.gz VMKGBWUHHLVGKV-UHFFFAOYSA-N 0 0 322.770 0.129 50 0 DCAARN CN(Cc1cn([C@@H]2C[NH2+][C@H](C(=O)[O-])C2)nn1)C(=O)NC(C)(C)C ZINC000067757709 190720184 /nfs/dbraw/zinc/72/01/84/190720184.db2.gz WQVJJHFJMBBFRS-QWRGUYRKSA-N 0 0 324.385 0.206 50 0 DCAARN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N1CC(C)(O)C1 ZINC000170614776 197791183 /nfs/dbraw/zinc/79/11/83/197791183.db2.gz VYQJGRCLKCEFEA-UHFFFAOYSA-N 0 0 308.334 0.448 50 0 DCAARN O=S(=O)(NCc1ccccc1OC(F)F)N1CCOCC1 ZINC000170639739 197797955 /nfs/dbraw/zinc/79/79/55/197797955.db2.gz PGQYUNRDGLVGGS-UHFFFAOYSA-N 0 0 322.333 0.955 50 0 DCAARN Cc1ncncc1C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 ZINC000069771872 190815177 /nfs/dbraw/zinc/81/51/77/190815177.db2.gz QPZFETWLPDYHFM-AWEZNQCLSA-N 0 0 306.410 0.950 50 0 DCAARN CNS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000083613580 192375555 /nfs/dbraw/zinc/37/55/55/192375555.db2.gz GDFINXVOAHELGV-PSASIEDQSA-N 0 0 304.318 0.486 50 0 DCAARN Cc1nnnn1CC(=O)NCCN1CCCc2ccccc21 ZINC000071746155 191019348 /nfs/dbraw/zinc/01/93/48/191019348.db2.gz PUTAFDZZUYNOEM-UHFFFAOYSA-N 0 0 300.366 0.551 50 0 DCAARN CCCc1nnc(C(=O)N2CCCN(C(=O)COC)CC2)o1 ZINC000071748588 191021132 /nfs/dbraw/zinc/02/11/32/191021132.db2.gz ZLSNIKRKRRMCDQ-UHFFFAOYSA-N 0 0 310.354 0.343 50 0 DCAARN O=C(c1cccc(Cn2cccn2)c1)N1CC[C@H](CO)[C@H](O)C1 ZINC000072169512 191068766 /nfs/dbraw/zinc/06/87/66/191068766.db2.gz DDXCRQYIITYSSR-HZPDHXFCSA-N 0 0 315.373 0.747 50 0 DCAARN CC(C)C(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 ZINC000072172789 191069465 /nfs/dbraw/zinc/06/94/65/191069465.db2.gz LFYRQQZHCBKIKL-ZDUSSCGKSA-N 0 0 308.382 0.148 50 0 DCAARN CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC)cc1 ZINC000072174632 191070689 /nfs/dbraw/zinc/07/06/89/191070689.db2.gz IPNNRPYQOFDFGI-AWEZNQCLSA-N 0 0 305.378 0.522 50 0 DCAARN NC(=O)N1CCC(C(=O)N2CCC[C@@H](n3cncn3)C2)CC1 ZINC000072234719 191079418 /nfs/dbraw/zinc/07/94/18/191079418.db2.gz LWLVLVFSWYXTBD-GFCCVEGCSA-N 0 0 306.370 0.232 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC000072268875 191090573 /nfs/dbraw/zinc/09/05/73/191090573.db2.gz DBDDHCLMEKKIRT-CQSZACIVSA-N 0 0 305.378 0.314 50 0 DCAARN C[C@H](CN1CCOCC1)Nc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000072276126 191098951 /nfs/dbraw/zinc/09/89/51/191098951.db2.gz KTKPXCQEOHSRHC-ZIAGYGMSSA-N 0 0 321.425 0.570 50 0 DCAARN CC(C)N1C[C@H](NC(=O)NC[C@@H](C)Cn2cccn2)CC1=O ZINC000072293212 191110146 /nfs/dbraw/zinc/11/01/46/191110146.db2.gz QRGLDEYEGVXLIJ-CHWSQXEVSA-N 0 0 307.398 0.828 50 0 DCAARN Cc1csc([C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)n1 ZINC000072298857 191113544 /nfs/dbraw/zinc/11/35/44/191113544.db2.gz YDPTYMHYRVYHSP-SNVBAGLBSA-N 0 0 322.390 0.709 50 0 DCAARN COc1ccc([C@H](NC(=O)C2(CO)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000253378526 186302280 /nfs/dbraw/zinc/30/22/80/186302280.db2.gz PSXLRJDZZPLZHO-SCRDCRAPSA-N 0 0 306.362 0.791 50 0 DCAARN CC(C)C[C@H](NC(=O)[C@@H]1O[C@@H](C)C[C@H]1C)C(=O)NCCO ZINC000253397459 186305935 /nfs/dbraw/zinc/30/59/35/186305935.db2.gz QZLPKLUDNGENHM-MROQNXINSA-N 0 0 300.399 0.439 50 0 DCAARN Cc1nc(S(=O)(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)cn1C ZINC000253402746 186306823 /nfs/dbraw/zinc/30/68/23/186306823.db2.gz OPVGGBFWESAZHN-WOPDTQHZSA-N 0 0 315.395 0.343 50 0 DCAARN COC(=O)CCCNC(=O)c1c2n(c(=O)cc1OC)CCC2 ZINC000253402001 186306932 /nfs/dbraw/zinc/30/69/32/186306932.db2.gz NVVVDOAPFXSINM-UHFFFAOYSA-N 0 0 308.334 0.486 50 0 DCAARN Cc1nc([C@H]2CCCN(CC(N)=O)C2)cc(N2CCOCC2)n1 ZINC000072409360 191154469 /nfs/dbraw/zinc/15/44/69/191154469.db2.gz VBHJTKFWXJBAFB-ZDUSSCGKSA-N 0 0 319.409 0.286 50 0 DCAARN CCCc1nc2c(cnn2C)c(NCCN2CCNC2=O)n1 ZINC000072421669 191158635 /nfs/dbraw/zinc/15/86/35/191158635.db2.gz ADOHCGQGFCDXOB-UHFFFAOYSA-N 0 0 303.370 0.753 50 0 DCAARN Cc1nc(CC(=O)NCCS(=O)(=O)N2CCCC2)cs1 ZINC000072425233 191160316 /nfs/dbraw/zinc/16/03/16/191160316.db2.gz OTCKJQHLXMCRNZ-UHFFFAOYSA-N 0 0 317.436 0.536 50 0 DCAARN CCc1cc(N[C@@H]2CS(=O)(=O)C[C@H]2O)n2nc(C)c(C)c2n1 ZINC000072429782 191163289 /nfs/dbraw/zinc/16/32/89/191163289.db2.gz RKTJGLJYFIPKLT-VXGBXAGGSA-N 0 0 324.406 0.478 50 0 DCAARN COc1ccc(C(=O)NCc2cc(N3CCOCC3)ncn2)o1 ZINC000072457901 191172290 /nfs/dbraw/zinc/17/22/90/191172290.db2.gz JZYVDKPYDXZXKB-UHFFFAOYSA-N 0 0 318.333 0.845 50 0 DCAARN Cc1nn(CCNC(=O)[C@H]2NCCc3nc[nH]c32)c(C)c1Cl ZINC000072478269 191178998 /nfs/dbraw/zinc/17/89/98/191178998.db2.gz TWTLTEBXGXARFW-ZDUSSCGKSA-N 0 0 322.800 0.880 50 0 DCAARN Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(C(=O)CCO)C1 ZINC000072479478 191180388 /nfs/dbraw/zinc/18/03/88/191180388.db2.gz KDBOTGJLEOBATD-ZDUSSCGKSA-N 0 0 321.425 0.499 50 0 DCAARN O=CN1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000000294759 180750453 /nfs/dbraw/zinc/75/04/53/180750453.db2.gz RZONVMDGTQJSOE-ZDUSSCGKSA-N 0 0 321.764 0.746 50 0 DCAARN CCc1nnc(CN2CCc3ccc(S(N)(=O)=O)cc32)o1 ZINC000072661323 191210433 /nfs/dbraw/zinc/21/04/33/191210433.db2.gz UHSBBAXALZVFTG-UHFFFAOYSA-N 0 0 308.363 0.842 50 0 DCAARN COc1cccc(S(=O)(=O)NCC(=O)N2CCCCC2)c1 ZINC000000387228 180774811 /nfs/dbraw/zinc/77/48/11/180774811.db2.gz MLHQSZZMMJHCBB-UHFFFAOYSA-N 0 0 312.391 0.986 50 0 DCAARN Cn1ncc2c1c(=O)n(Cc1ccc(F)cc1)c1n[nH]c(=O)n21 ZINC000067172535 282842889 /nfs/dbraw/zinc/84/28/89/282842889.db2.gz IDRLMFGSEIBUIU-UHFFFAOYSA-N 0 0 314.280 0.258 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)NC1CCCC1 ZINC000002929316 180970833 /nfs/dbraw/zinc/97/08/33/180970833.db2.gz AUQBQGKAJMEBIM-UHFFFAOYSA-N 0 0 315.395 0.971 50 0 DCAARN Cc1ccc(N2C(=O)N(CC(=O)NC(N)=O)C(=O)[C@H]2C)cc1 ZINC000003316693 181004597 /nfs/dbraw/zinc/00/45/97/181004597.db2.gz FPKRCCIOWNVAFA-SECBINFHSA-N 0 0 304.306 0.347 50 0 DCAARN COc1ccc(N2C(=O)C[C@H](SC[C@H]([NH3+])C(=O)[O-])C2=O)cc1 ZINC000003856065 181050108 /nfs/dbraw/zinc/05/01/08/181050108.db2.gz PTIQUTKBLSYTIH-QWRGUYRKSA-N 0 0 324.358 0.472 50 0 DCAARN COc1ncnc(OC)c1S(=O)(=O)NCc1ccccc1 ZINC000004091658 181071645 /nfs/dbraw/zinc/07/16/45/181071645.db2.gz WIZYIEXKEKRHBC-UHFFFAOYSA-N 0 0 309.347 0.972 50 0 DCAARN COc1ccc(C(=O)N[C@@H](CO)c2n[nH]c(=S)n2C)cc1 ZINC000004520752 181119506 /nfs/dbraw/zinc/11/95/06/181119506.db2.gz NUZMHOQWCMWXFJ-JTQLQIEISA-N 0 0 308.363 0.950 50 0 DCAARN NC(=O)C1CCN([C@@H]2CC(=O)N(Cc3cccs3)C2=O)CC1 ZINC000004704127 181139945 /nfs/dbraw/zinc/13/99/45/181139945.db2.gz HASOUSDLYGRKBC-GFCCVEGCSA-N 0 0 321.402 0.573 50 0 DCAARN COCCN1CC2=C(C1=O)[C@@H](c1cccc(F)c1)NC(=O)N2 ZINC000004776259 181151165 /nfs/dbraw/zinc/15/11/65/181151165.db2.gz IKDJZNIIOUYDSB-CYBMUJFWSA-N 0 0 305.309 0.922 50 0 DCAARN COC(CNC(=O)CN1CCN(Cc2ccccc2)C1=O)OC ZINC000004931613 181174254 /nfs/dbraw/zinc/17/42/54/181174254.db2.gz MBMHMLXXGBEFKM-UHFFFAOYSA-N 0 0 321.377 0.659 50 0 DCAARN CCOC(=O)[C@H]1CCCN(C(=O)CN2CCOC(C)(C)C2)C1 ZINC000073872111 191350310 /nfs/dbraw/zinc/35/03/10/191350310.db2.gz UAMJFFNDKDRQGF-ZDUSSCGKSA-N 0 0 312.410 0.899 50 0 DCAARN COC(=O)CNC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000004976048 181183092 /nfs/dbraw/zinc/18/30/92/181183092.db2.gz PHGHGAVWIUMULY-GFCCVEGCSA-N 0 0 322.336 0.506 50 0 DCAARN CO[C@@H](C)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000075127518 191426151 /nfs/dbraw/zinc/42/61/51/191426151.db2.gz ACZKOELAEQMFCX-OLZOCXBDSA-N 0 0 311.426 0.613 50 0 DCAARN COc1cc([C@H]2NS(=O)(=O)N=C2N)cc(OC)c1OC ZINC000005092527 181203215 /nfs/dbraw/zinc/20/32/15/181203215.db2.gz DCNFRNJKDAQOCB-SECBINFHSA-N 0 0 301.324 0.168 50 0 DCAARN C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N1CCCC1 ZINC000005103060 181203944 /nfs/dbraw/zinc/20/39/44/181203944.db2.gz RGTJWMDZRMNLLM-NSHDSACASA-N 0 0 315.333 0.830 50 0 DCAARN Cc1ccsc1C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000005110310 181204489 /nfs/dbraw/zinc/20/44/89/181204489.db2.gz CIZGMBWKKXBBGN-VIFPVBQESA-N 0 0 317.388 0.517 50 0 DCAARN CNC(=O)NC(=O)CSc1nnnn1-c1ccc(C)cc1C ZINC000005414548 181240916 /nfs/dbraw/zinc/24/09/16/181240916.db2.gz IDVGYDQJJDNFBK-UHFFFAOYSA-N 0 0 320.378 0.827 50 0 DCAARN CCCNC(=O)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000005292075 181227110 /nfs/dbraw/zinc/22/71/10/181227110.db2.gz VUURVYXYCDECJW-UHFFFAOYSA-N 0 0 310.354 0.477 50 0 DCAARN O=C(Cn1nnnc1CCCc1ccccc1)N1CCOCC1 ZINC000080292990 192021494 /nfs/dbraw/zinc/02/14/94/192021494.db2.gz LFSXKTBVEPSKLY-UHFFFAOYSA-N 0 0 315.377 0.707 50 0 DCAARN Cc1ccc([C@@](C)(O)CNC(=O)c2nc3nccc(C)n3n2)o1 ZINC000080901460 192199737 /nfs/dbraw/zinc/19/97/37/192199737.db2.gz TZHPBLIUTAFIMS-HNNXBMFYSA-N 0 0 315.333 0.972 50 0 DCAARN CC(C)OCCNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000184128132 199676501 /nfs/dbraw/zinc/67/65/01/199676501.db2.gz XJTWKIDHIQAZTG-LBPRGKRZSA-N 0 0 309.370 0.250 50 0 DCAARN CCCN1CCCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)CC1=O ZINC000253407986 283327102 /nfs/dbraw/zinc/32/71/02/283327102.db2.gz RAWLQMPLEZNFSJ-GFCCVEGCSA-N 0 0 312.414 0.540 50 0 DCAARN NC(=O)[C@@]1(O)CCCN(c2ncc(Br)cn2)C1 ZINC000284659916 283340799 /nfs/dbraw/zinc/34/07/99/283340799.db2.gz PKTGRPNVWKCKHM-SNVBAGLBSA-N 0 0 301.144 0.056 50 0 DCAARN CCCOC(=O)C1=C(C)N[C@]2(O)c3ccccc3C(=O)[C@]12O ZINC000020159117 283398736 /nfs/dbraw/zinc/39/87/36/283398736.db2.gz XCMCQTWJJCRMCW-CVEARBPZSA-N 0 0 303.314 0.590 50 0 DCAARN C[C@H](Sc1ccccn1)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000089478597 192799256 /nfs/dbraw/zinc/79/92/56/192799256.db2.gz MMKXNMGCGGRGMO-QWHCGFSZSA-N 0 0 306.435 0.678 50 0 DCAARN COCCN1CCN(C(=O)c2c(F)ccc(O)c2F)CC1=O ZINC000280982553 216002505 /nfs/dbraw/zinc/00/25/05/216002505.db2.gz LHKRRWHHTOBMLZ-UHFFFAOYSA-N 0 0 314.288 0.601 50 0 DCAARN O=C([C@@H]1COCCN1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000237819179 202362860 /nfs/dbraw/zinc/36/28/60/202362860.db2.gz XQRFVIGMBSFKAR-ZDUSSCGKSA-N 0 0 311.332 0.602 50 0 DCAARN CSC1(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000190607459 200564261 /nfs/dbraw/zinc/56/42/61/200564261.db2.gz HEEJRDBWXHEQRE-UHFFFAOYSA-N 0 0 318.464 0.955 50 0 DCAARN Cc1ccc(C[C@@H](CO)NC(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000191742624 200756146 /nfs/dbraw/zinc/75/61/46/200756146.db2.gz GMDHDDQKQOXTTK-LSDHHAIUSA-N 0 0 319.405 0.866 50 0 DCAARN COCCNC(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000006180187 181317762 /nfs/dbraw/zinc/31/77/62/181317762.db2.gz KMPPCZMEYNIKRD-UHFFFAOYSA-N 0 0 304.343 0.354 50 0 DCAARN CCOC(=O)c1ccc2c(c1)nc(N)n2S(=O)(=O)N(C)C ZINC000006244655 181322633 /nfs/dbraw/zinc/32/26/33/181322633.db2.gz GHSBZOHKDYVTBT-UHFFFAOYSA-N 0 0 312.351 0.450 50 0 DCAARN CCn1ncc2c1ncn(Cc1ncnn1CC(C)C)c2=O ZINC000192476172 200885529 /nfs/dbraw/zinc/88/55/29/200885529.db2.gz ODGMVVMOUFODBX-UHFFFAOYSA-N 0 0 301.354 0.909 50 0 DCAARN CC1(C)NC(=O)N(C[C@@H](O)Cn2nnc3ccccc32)C1=O ZINC000006263400 181324292 /nfs/dbraw/zinc/32/42/92/181324292.db2.gz KVJVZBVYFIOVJH-SECBINFHSA-N 0 0 303.322 0.123 50 0 DCAARN C[C@@H]1CN(C(=O)[C@H]2COCC(=O)N2Cc2ccccc2)CCO1 ZINC000089939481 192915422 /nfs/dbraw/zinc/91/54/22/192915422.db2.gz PNJAUTFSRKFQOJ-UKRRQHHQSA-N 0 0 318.373 0.661 50 0 DCAARN CCOc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000006314754 181329532 /nfs/dbraw/zinc/32/95/32/181329532.db2.gz ZHTUIRHBJKWRNU-UHFFFAOYSA-N 0 0 312.391 0.938 50 0 DCAARN C/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000006461293 181342915 /nfs/dbraw/zinc/34/29/15/181342915.db2.gz JRNDKUKAVNKFBZ-NWALNABHSA-N 0 0 312.347 0.780 50 0 DCAARN CCCNC(=O)[C@@H](C)NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000006540723 181352909 /nfs/dbraw/zinc/35/29/09/181352909.db2.gz BPFSURUAOACPNF-SNVBAGLBSA-N 0 0 316.361 0.578 50 0 DCAARN CCOc1ccc(C(=O)NCc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000006662151 181367282 /nfs/dbraw/zinc/36/72/82/181367282.db2.gz PWAYKZZMUNBNNH-UHFFFAOYSA-N 0 0 317.345 0.413 50 0 DCAARN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)Nc1nc[nH]n1 ZINC000206242536 201427933 /nfs/dbraw/zinc/42/79/33/201427933.db2.gz IYJBDSBMSYMUQY-KHQFGBGNSA-N 0 0 310.383 0.469 50 0 DCAARN C[C@@H]1CN(C(=O)CN2CCCC2=O)CC[C@@]1(O)C1CCOCC1 ZINC000091411635 193052105 /nfs/dbraw/zinc/05/21/05/193052105.db2.gz AGMCLVSRVXNGNR-DYVFJYSZSA-N 0 0 324.421 0.635 50 0 DCAARN CC(C)Oc1cc(N2CCC3(CC2)[C@H](O)C[C@@H]3O)nc(N)n1 ZINC000091441647 193055920 /nfs/dbraw/zinc/05/59/20/193055920.db2.gz AUMRQPCKRRZKIV-PHIMTYICSA-N 0 0 308.382 0.558 50 0 DCAARN CCC[C@H]1CN(CC(N)=O)C[C@@H]1NC(=O)c1c(C)onc1CC ZINC000091548387 193071823 /nfs/dbraw/zinc/07/18/23/193071823.db2.gz GVMVCVJEPRUDPI-AAEUAGOBSA-N 0 0 322.409 0.861 50 0 DCAARN O=C(Cn1ccnn1)N1CC[C@]2(C1)CCCN(CC1CC1)C2=O ZINC000091550838 193072419 /nfs/dbraw/zinc/07/24/19/193072419.db2.gz VVFQUUFFCCHHSI-INIZCTEOSA-N 0 0 317.393 0.529 50 0 DCAARN Cc1noc(C)c1CCCNC(=O)C[C@@H]1C(=O)N(C)C(=O)N1C ZINC000091586401 193075156 /nfs/dbraw/zinc/07/51/56/193075156.db2.gz BSIFNLKNVOEBQE-GFCCVEGCSA-N 0 0 322.365 0.623 50 0 DCAARN Cc1nonc1CN1CCC2(CCC(=O)N(CCO)C2)CC1 ZINC000091644953 193083553 /nfs/dbraw/zinc/08/35/53/193083553.db2.gz ZZQLIKOVLHPZCQ-UHFFFAOYSA-N 0 0 308.382 0.575 50 0 DCAARN CC(C)(C)N1C[C@H](C(=O)NCc2cn3cccnc3n2)CC1=O ZINC000091643244 193084181 /nfs/dbraw/zinc/08/41/81/193084181.db2.gz GLHBHOGWQAPZPI-LLVKDONJSA-N 0 0 315.377 0.993 50 0 DCAARN CN(Cc1n[nH]c2c1CCCC2)C(=O)CCc1[nH]c(O)nc1O ZINC000091663452 193087422 /nfs/dbraw/zinc/08/74/22/193087422.db2.gz PPMSPCLLWNIJHO-LLVKDONJSA-N 0 0 319.365 0.235 50 0 DCAARN O=C(CN1CCC2(CC1)OCCC[C@H]2O)NCc1ccccn1 ZINC000091690248 193091026 /nfs/dbraw/zinc/09/10/26/193091026.db2.gz JBNWOSFQRNCTBF-OAHLLOKOSA-N 0 0 319.405 0.704 50 0 DCAARN Cc1cnc(C(=O)N[C@H]2C[N@H+](CCC(=O)[O-])C[C@@H]2C2CC2)cn1 ZINC000091690782 193091637 /nfs/dbraw/zinc/09/16/37/193091637.db2.gz DDBQVGQSUAQTKT-OCCSQVGLSA-N 0 0 318.377 0.700 50 0 DCAARN Cn1ncnc1CCNC(=O)C1CCN(C(=O)C2CCC2)CC1 ZINC000091746551 193101589 /nfs/dbraw/zinc/10/15/89/193101589.db2.gz BPPKGOHXEWVWLU-UHFFFAOYSA-N 0 0 319.409 0.513 50 0 DCAARN COc1ccc(N2CCN([C@@H](C)C(=O)N(C)C)CC2=O)cc1 ZINC000091736579 193099001 /nfs/dbraw/zinc/09/90/01/193099001.db2.gz SPXUYWWYXIVGJR-LBPRGKRZSA-N 0 0 305.378 0.821 50 0 DCAARN Cc1nnnn1CC(=O)N1CC[C@]2(C1)CCCN(C(C)C)C2=O ZINC000091986562 193137549 /nfs/dbraw/zinc/13/75/49/193137549.db2.gz OWVJALBVSGLQTB-HNNXBMFYSA-N 0 0 320.397 0.231 50 0 DCAARN COC(=O)[C@@H](NC(=O)CCCN(C)C(=O)OC)c1cccnc1 ZINC000496326952 241242455 /nfs/dbraw/zinc/24/24/55/241242455.db2.gz PVQJIKFAMDGAPY-ZDUSSCGKSA-N 0 0 323.349 0.890 50 0 DCAARN CSc1ncc(CNC(=O)c2nc3ncccn3n2)n1C ZINC000216077941 201480118 /nfs/dbraw/zinc/48/01/18/201480118.db2.gz SONXEDHUQQVJDV-UHFFFAOYSA-N 0 0 303.351 0.510 50 0 DCAARN O=C(c1cccc(Cn2cccn2)c1)N1CCS(=O)(=O)CC1 ZINC000092078692 193154804 /nfs/dbraw/zinc/15/48/04/193154804.db2.gz LGNKLVLYXVIZOF-UHFFFAOYSA-N 0 0 319.386 0.802 50 0 DCAARN CCNC(=O)[C@@H](C)NC(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000007019594 181432138 /nfs/dbraw/zinc/43/21/38/181432138.db2.gz FOXQZPHYPJJXSK-LLVKDONJSA-N 0 0 316.365 0.289 50 0 DCAARN Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)cn1 ZINC000092096650 193157452 /nfs/dbraw/zinc/15/74/52/193157452.db2.gz OEPHIXMOUPYGEY-GXTWGEPZSA-N 0 0 312.377 0.951 50 0 DCAARN COCCN1C[C@H](NC(=O)c2ccc(OC)c(F)c2)CC1=O ZINC000220590039 201578421 /nfs/dbraw/zinc/57/84/21/201578421.db2.gz BNQYSEUTLIVWPW-LLVKDONJSA-N 0 0 310.325 0.811 50 0 DCAARN COCc1nc(CNC(=O)c2ccc(OC)nc2OC)no1 ZINC000222321775 201607862 /nfs/dbraw/zinc/60/78/62/201607862.db2.gz AAOBGOAWFIWWQY-UHFFFAOYSA-N 0 0 308.294 0.558 50 0 DCAARN CCc1c(C(=O)CN2CCOC[C@@H]2C(N)=O)[nH]c(C)c1C(C)=O ZINC000092228890 193176715 /nfs/dbraw/zinc/17/67/15/193176715.db2.gz DECDSQMTPDWCKN-GFCCVEGCSA-N 0 0 321.377 0.457 50 0 DCAARN CC[C@H](C)[C@@H](CO)NC(=O)CCc1nnc2ccc(OC)nn21 ZINC000252489785 202845525 /nfs/dbraw/zinc/84/55/25/202845525.db2.gz KAJNERURVOJQCN-WDEREUQCSA-N 0 0 321.381 0.589 50 0 DCAARN CC[C@H](NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)c1ncnn1CC ZINC000253536773 202897058 /nfs/dbraw/zinc/89/70/58/202897058.db2.gz OBFJARSMIPSMHB-JTQLQIEISA-N 0 0 320.353 0.618 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CCn3nc4c(c3C2)CCC4)c1 ZINC000253472841 202891789 /nfs/dbraw/zinc/89/17/89/202891789.db2.gz QBNVPALKZPVVSP-UHFFFAOYSA-N 0 0 307.379 0.310 50 0 DCAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 ZINC000007376978 181458962 /nfs/dbraw/zinc/45/89/62/181458962.db2.gz SBXWWLQTHGVEFZ-SECBINFHSA-N 0 0 316.379 0.967 50 0 DCAARN NC(=O)[C@H]1CCCN(C(=O)COC(=O)c2ccccc2F)C1 ZINC000007398343 181461602 /nfs/dbraw/zinc/46/16/02/181461602.db2.gz QVQJDSRWXWKBKT-JTQLQIEISA-N 0 0 308.309 0.706 50 0 DCAARN COCC[C@H](Nc1nc2ccccc2c2nc(C)nn21)C(N)=O ZINC000095986745 193479484 /nfs/dbraw/zinc/47/94/84/193479484.db2.gz ZYDICYJBLNQGSM-LBPRGKRZSA-N 0 0 314.349 0.888 50 0 DCAARN COCCn1cnnc1CCNC(=O)Nc1ccc(C)nc1 ZINC000096147873 193552157 /nfs/dbraw/zinc/55/21/57/193552157.db2.gz XTRDWACBUGQRAU-UHFFFAOYSA-N 0 0 304.354 0.992 50 0 DCAARN CCCCn1c(N)c(N(C)C(=O)c2ccncc2)c(=O)[nH]c1=O ZINC000008704564 181575595 /nfs/dbraw/zinc/57/55/95/181575595.db2.gz HROOWALOACHAOU-UHFFFAOYSA-N 0 0 317.349 0.591 50 0 DCAARN COc1ccc(Cl)cc1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000008940822 181592300 /nfs/dbraw/zinc/59/23/00/181592300.db2.gz MQXUHPZCGGQDPP-UHFFFAOYSA-N 0 0 309.709 0.837 50 0 DCAARN CNS(=O)(=O)c1c(C)cc(C)c(N(C)S(C)(=O)=O)c1C ZINC000010386463 181668289 /nfs/dbraw/zinc/66/82/89/181668289.db2.gz BQFQJLDYGOWNTD-UHFFFAOYSA-N 0 0 320.436 0.916 50 0 DCAARN O=C(CSc1nnnn1C[C@@H]1CCCO1)N1CCCC1=O ZINC000012796232 181799351 /nfs/dbraw/zinc/79/93/51/181799351.db2.gz UFEZKMXMKKJUGQ-VIFPVBQESA-N 0 0 311.367 0.093 50 0 DCAARN CC1CCC2(CC1)NC(=O)N(NC(=O)CCn1cncn1)C2=O ZINC000012917720 181811698 /nfs/dbraw/zinc/81/16/98/181811698.db2.gz HRZVWJDWQLEKMG-UHFFFAOYSA-N 0 0 320.353 0.200 50 0 DCAARN CC(=O)N[C@H](C(=O)Nc1cccc(-c2nnnn2C)c1)C(C)C ZINC000014516365 181956161 /nfs/dbraw/zinc/95/61/61/181956161.db2.gz BEPBKNGDQGUGJT-ZDUSSCGKSA-N 0 0 316.365 0.976 50 0 DCAARN Cc1ccc(Nc2nc(N)nc(CN3CCNC(=O)C3)n2)cc1 ZINC000015479680 182004229 /nfs/dbraw/zinc/00/42/29/182004229.db2.gz ILQATLPAXZAQHW-UHFFFAOYSA-N 0 0 313.365 0.438 50 0 DCAARN NC(=O)CSc1nc2nccnc2c(=O)n1Cc1ccco1 ZINC000015674615 182011627 /nfs/dbraw/zinc/01/16/27/182011627.db2.gz QJKFUUZPEVRFGP-UHFFFAOYSA-N 0 0 317.330 0.405 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000017062485 182074019 /nfs/dbraw/zinc/07/40/19/182074019.db2.gz MZJLPENEDYUMOH-UHFFFAOYSA-N 0 0 317.389 0.869 50 0 DCAARN CCOC(=O)[C@@H](N)CS[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000018143049 182094774 /nfs/dbraw/zinc/09/47/74/182094774.db2.gz PUEJXRMYHGJBIJ-RYUDHWBXSA-N 0 0 322.386 0.942 50 0 DCAARN O=C1C[C@@H](N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1 ZINC000018271300 182101244 /nfs/dbraw/zinc/10/12/44/182101244.db2.gz UWGCHUFCLBTXLT-LLVKDONJSA-N 0 0 316.386 0.833 50 0 DCAARN NC(=O)C1CCN([C@H]2CC(=O)N(Cc3cccs3)C2=O)CC1 ZINC000018271521 182101357 /nfs/dbraw/zinc/10/13/57/182101357.db2.gz HASOUSDLYGRKBC-LBPRGKRZSA-N 0 0 321.402 0.573 50 0 DCAARN COc1cc(C(=O)NCCN2CCOCC2)cc(OC)c1OC ZINC000019681280 182136148 /nfs/dbraw/zinc/13/61/48/182136148.db2.gz YRDNIFUEZKOCRF-UHFFFAOYSA-N 0 0 324.377 0.774 50 0 DCAARN Cc1cc(C(F)(F)F)nn1CC(=O)NCCN1CCOCC1 ZINC000019732727 182138959 /nfs/dbraw/zinc/13/89/59/182138959.db2.gz RXFJZYZJUCPHQQ-UHFFFAOYSA-N 0 0 320.315 0.659 50 0 DCAARN Cc1ccc(C)c(NC(=O)C(=O)NCCN2CCOCC2)c1 ZINC000019831331 182154896 /nfs/dbraw/zinc/15/48/96/182154896.db2.gz AVIOOEHUUVSTGY-UHFFFAOYSA-N 0 0 305.378 0.690 50 0 DCAARN Cc1cccc(C)c1NC(=O)C(=O)NCCN1CCOCC1 ZINC000019831309 182155202 /nfs/dbraw/zinc/15/52/02/182155202.db2.gz MRBZUUOQOOAZHR-UHFFFAOYSA-N 0 0 305.378 0.690 50 0 DCAARN O=C(NCCN1CCOCC1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000019913818 182164390 /nfs/dbraw/zinc/16/43/90/182164390.db2.gz MGJRORWQMJWTHG-CQSZACIVSA-N 0 0 323.437 0.616 50 0 DCAARN COC(=O)c1ccc(NC(=O)CN2CCN(CCO)CC2)cc1 ZINC000019881450 182159660 /nfs/dbraw/zinc/15/96/60/182159660.db2.gz UXWQZMXCEWGJOC-UHFFFAOYSA-N 0 0 321.377 0.022 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1 ZINC000020495830 182224994 /nfs/dbraw/zinc/22/49/94/182224994.db2.gz NNYPDMPFSMVAQH-LLVKDONJSA-N 0 0 303.428 0.564 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)cn1C ZINC000021526153 182278447 /nfs/dbraw/zinc/27/84/47/182278447.db2.gz QCNAYWRCTVHTBY-VIFPVBQESA-N 0 0 302.352 0.269 50 0 DCAARN O=C(Cn1ccccc1=O)NC[C@H](CO)Cc1cccs1 ZINC000097797252 193759219 /nfs/dbraw/zinc/75/92/19/193759219.db2.gz UQPIYCSSMOBEOX-GFCCVEGCSA-N 0 0 306.387 0.877 50 0 DCAARN Cc1cccc2nc(C(=O)OCC(=O)N3CCNC3=O)cn21 ZINC000022616244 182328641 /nfs/dbraw/zinc/32/86/41/182328641.db2.gz DOHPUNHMDLWDQT-UHFFFAOYSA-N 0 0 302.290 0.351 50 0 DCAARN COc1cc(C)c(CN2CCN(C[C@H](O)CO)CC2)cc1OC ZINC000022780793 182334351 /nfs/dbraw/zinc/33/43/51/182334351.db2.gz FVKVSBKVYGIOQT-HNNXBMFYSA-N 0 0 324.421 0.483 50 0 DCAARN CCc1cnc2c(c1N[C@@H](C)COC)c(=O)n(C)c(=O)n2C ZINC000022767711 182334427 /nfs/dbraw/zinc/33/44/27/182334427.db2.gz NCLSDFHZFGYBJK-VIFPVBQESA-N 0 0 306.366 0.641 50 0 DCAARN O=C(CN1CSCC1=O)Nc1cccnc1-n1cccn1 ZINC000023171431 182352262 /nfs/dbraw/zinc/35/22/62/182352262.db2.gz RPMSYEPLJSSGST-UHFFFAOYSA-N 0 0 303.347 0.739 50 0 DCAARN O=C(c1cccs1)N1CCN(C(=O)C2=COCCO2)CC1 ZINC000023244758 182353833 /nfs/dbraw/zinc/35/38/33/182353833.db2.gz LRQWVLAVIKTYPZ-UHFFFAOYSA-N 0 0 308.359 0.921 50 0 DCAARN Cc1nnc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)s1 ZINC000023625657 182364720 /nfs/dbraw/zinc/36/47/20/182364720.db2.gz OSPDCRUIVSFJBW-UHFFFAOYSA-N 0 0 311.367 0.896 50 0 DCAARN C[C@@H]1CN(CC(=O)NCC(=O)Nc2ccc(F)cc2)CCO1 ZINC000024014331 182372563 /nfs/dbraw/zinc/37/25/63/182372563.db2.gz FVCHUTONTYTFNP-LLVKDONJSA-N 0 0 309.341 0.601 50 0 DCAARN CNC(=O)C1CCN([C@@H](C(=O)NC(N)=O)c2ccccc2)CC1 ZINC000024781908 182390903 /nfs/dbraw/zinc/39/09/03/182390903.db2.gz WAQLILBBKHHBAZ-CYBMUJFWSA-N 0 0 318.377 0.381 50 0 DCAARN CC(=O)NCCNC(=O)c1cccnc1OCC(F)(F)F ZINC000024557639 182383078 /nfs/dbraw/zinc/38/30/78/182383078.db2.gz KWEGDHRDJXVTTQ-UHFFFAOYSA-N 0 0 305.256 0.889 50 0 DCAARN COC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024546461 182383271 /nfs/dbraw/zinc/38/32/71/182383271.db2.gz IWEJHZMYLMYLHD-GHMZBOCLSA-N 0 0 320.345 0.919 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc2c(c1)CCO2 ZINC000025031817 182399467 /nfs/dbraw/zinc/39/94/67/182399467.db2.gz GTIFOVXXGCBQPR-GFCCVEGCSA-N 0 0 318.329 0.125 50 0 DCAARN CNS(=O)(=O)c1cc(NC(=O)c2ccc[nH]c2=O)ccc1C ZINC000024926614 182395351 /nfs/dbraw/zinc/39/53/51/182395351.db2.gz CZONJQCDUHFEMS-UHFFFAOYSA-N 0 0 321.358 0.844 50 0 DCAARN Cc1ccc(OCC(=O)OCc2nc(N)nc(N(C)C)n2)cc1 ZINC000024976914 182396629 /nfs/dbraw/zinc/39/66/29/182396629.db2.gz WHKOPNKZIUOYHI-UHFFFAOYSA-N 0 0 317.349 0.950 50 0 DCAARN Cn1cc(NC(=O)Cn2cc(Br)ccc2=O)cn1 ZINC000025310643 182408780 /nfs/dbraw/zinc/40/87/80/182408780.db2.gz DKLCFMYNRNRXGI-UHFFFAOYSA-N 0 0 311.139 0.983 50 0 DCAARN C[C@@H]1CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000028223369 182512663 /nfs/dbraw/zinc/51/26/63/182512663.db2.gz DLLCSBPBRHDOFU-TUAOUCFPSA-N 0 0 304.412 0.294 50 0 DCAARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC(C1CC1)C1CC1 ZINC000028981117 182548487 /nfs/dbraw/zinc/54/84/87/182548487.db2.gz GTDJNODZHJGTNC-UHFFFAOYSA-N 0 0 313.357 0.995 50 0 DCAARN Cc1cccc(OCCNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000031034947 182605263 /nfs/dbraw/zinc/60/52/63/182605263.db2.gz YUWWNAXFOGQFIO-LBPRGKRZSA-N 0 0 312.391 0.860 50 0 DCAARN CC[C@H]1CN(C(=O)Cn2c3ccccc3n(C)c2=O)CCO1 ZINC000030851511 182599608 /nfs/dbraw/zinc/59/96/08/182599608.db2.gz AYBSLKGYXBUHMQ-LBPRGKRZSA-N 0 0 303.362 0.977 50 0 DCAARN O=C(CCC(=O)N1CCOCC1)NCCOc1ccccc1 ZINC000033026651 182689258 /nfs/dbraw/zinc/68/92/58/182689258.db2.gz NGIQMTPPUWQQBU-UHFFFAOYSA-N 0 0 306.362 0.821 50 0 DCAARN Cc1cc(-c2nn3c(CN4CCOCC4)nnc3s2)no1 ZINC000036357711 182818324 /nfs/dbraw/zinc/81/83/24/182818324.db2.gz FXWWSULLAHCKMC-UHFFFAOYSA-N 0 0 306.351 0.981 50 0 DCAARN O=C(NCCCn1ncccc1=O)[C@@H]1COc2ccccc2O1 ZINC000038517289 183001188 /nfs/dbraw/zinc/00/11/88/183001188.db2.gz JMASMJHPQHAUJY-AWEZNQCLSA-N 0 0 315.329 0.590 50 0 DCAARN CC(=O)NCCNC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000040043160 183030213 /nfs/dbraw/zinc/03/02/13/183030213.db2.gz XDXCIBYWVIGEQN-UHFFFAOYSA-N 0 0 305.256 0.889 50 0 DCAARN CCCc1noc(CS(=O)(=O)Cc2nnnn2C2CC2)n1 ZINC000040106223 183035593 /nfs/dbraw/zinc/03/55/93/183035593.db2.gz MJQCODMHFRKKPJ-UHFFFAOYSA-N 0 0 312.355 0.459 50 0 DCAARN O=C(NCCCn1ccnc1)C(=O)Nc1[nH]nc2ncccc21 ZINC000040286370 183051210 /nfs/dbraw/zinc/05/12/10/183051210.db2.gz CWCIREIBWIMJLR-UHFFFAOYSA-N 0 0 313.321 0.299 50 0 DCAARN Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1ccccc1O ZINC000040268156 183049788 /nfs/dbraw/zinc/04/97/88/183049788.db2.gz GJMCBPUDQSSBEK-UHFFFAOYSA-N 0 0 302.334 0.997 50 0 DCAARN CC(C)(CNC(=O)CCNC(=O)c1ccco1)N1CCOCC1 ZINC000040459626 183069897 /nfs/dbraw/zinc/06/98/97/183069897.db2.gz OFSWKCYEFCWINN-UHFFFAOYSA-N 0 0 323.393 0.627 50 0 DCAARN CCn1c(N)c(C(=O)CN(C)c2ccccc2)c(=O)[nH]c1=O ZINC000040463436 183070663 /nfs/dbraw/zinc/07/06/63/183070663.db2.gz VPBRUERDVQIGHQ-UHFFFAOYSA-N 0 0 302.334 0.458 50 0 DCAARN CCOc1ccc(OC[C@H](O)CN2C(=O)CN(C)C2=O)cc1 ZINC000040465549 183072971 /nfs/dbraw/zinc/07/29/71/183072971.db2.gz OUCMBQAVYKRIPP-LLVKDONJSA-N 0 0 308.334 0.719 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000040467981 183073654 /nfs/dbraw/zinc/07/36/54/183073654.db2.gz YUOXVMJLKQPSFV-ZYHUDNBSSA-N 0 0 309.343 0.071 50 0 DCAARN CNC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000040476237 183074706 /nfs/dbraw/zinc/07/47/06/183074706.db2.gz DRKFVFLHWAGZSF-UHFFFAOYSA-N 0 0 301.343 0.471 50 0 DCAARN Cc1ccc(CN(C)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)o1 ZINC000040479545 183076413 /nfs/dbraw/zinc/07/64/13/183076413.db2.gz AGVCUFRSDGWDBI-SOFGYWHQSA-N 0 0 317.345 0.657 50 0 DCAARN CN(Cc1ccco1)C(=O)Cn1nnn(-c2cccs2)c1=O ZINC000040479559 183076514 /nfs/dbraw/zinc/07/65/14/183076514.db2.gz HJFYMXHELWQOSB-UHFFFAOYSA-N 0 0 319.346 0.742 50 0 DCAARN O=S(=O)(NC[C@@H]1COc2ccccc2C1)N1CCOCC1 ZINC000040488249 183078238 /nfs/dbraw/zinc/07/82/38/183078238.db2.gz NCEYLTPERISGSK-GFCCVEGCSA-N 0 0 312.391 0.404 50 0 DCAARN CN(CCOc1ccc(F)cc1)S(=O)(=O)N1CCOCC1 ZINC000040488245 183078269 /nfs/dbraw/zinc/07/82/69/183078269.db2.gz JSOKNERUQAVOGV-UHFFFAOYSA-N 0 0 318.370 0.713 50 0 DCAARN O=S(=O)(NCCCOc1ccccc1F)N1CCOCC1 ZINC000040488248 183078362 /nfs/dbraw/zinc/07/83/62/183078362.db2.gz HPQVGSDPLYGGJC-UHFFFAOYSA-N 0 0 318.370 0.761 50 0 DCAARN CCNC(=O)CN1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000040496578 183081081 /nfs/dbraw/zinc/08/10/81/183081081.db2.gz FJJTVNNGPIOJQD-UHFFFAOYSA-N 0 0 305.378 0.589 50 0 DCAARN C[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000040497585 183082023 /nfs/dbraw/zinc/08/20/23/183082023.db2.gz GEZNDRJOOOVZNU-NSHDSACASA-N 0 0 323.418 0.880 50 0 DCAARN COCc1ccccc1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000040512832 183088042 /nfs/dbraw/zinc/08/80/42/183088042.db2.gz JOVGTXLBMMGFNV-UHFFFAOYSA-N 0 0 312.391 0.550 50 0 DCAARN CC(=O)c1ccc(S(=O)(=O)NCCCn2cncn2)cc1 ZINC000040515901 183089668 /nfs/dbraw/zinc/08/96/68/183089668.db2.gz LMXIDJIWPURBAP-UHFFFAOYSA-N 0 0 308.363 0.849 50 0 DCAARN Cc1noc(C)c1CS(=O)(=O)[C@H](C)C(=O)N1CCOCC1 ZINC000040528404 183093535 /nfs/dbraw/zinc/09/35/35/183093535.db2.gz UHZYBVIHWDWYKB-LLVKDONJSA-N 0 0 316.379 0.454 50 0 DCAARN C[C@H](NC(=O)COCC1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000040535341 183095182 /nfs/dbraw/zinc/09/51/82/183095182.db2.gz HRCZYJULYUOISS-JTQLQIEISA-N 0 0 312.391 0.938 50 0 DCAARN Cc1cc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)on1 ZINC000040542776 183098591 /nfs/dbraw/zinc/09/85/91/183098591.db2.gz DLGFWFLQPBNNQG-JTQLQIEISA-N 0 0 301.368 0.384 50 0 DCAARN O=C(CNC(=O)c1ccccc1Cl)N[C@H]1CCCCNC1=O ZINC000040554383 183101139 /nfs/dbraw/zinc/10/11/39/183101139.db2.gz WDZUYADDXWPFEZ-LBPRGKRZSA-N 0 0 323.780 0.855 50 0 DCAARN O=C(NC[C@H]1CCOC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000041369703 183187517 /nfs/dbraw/zinc/18/75/17/183187517.db2.gz JQOIBWGWPBOBPU-GFCCVEGCSA-N 0 0 324.402 0.993 50 0 DCAARN CCC[C@@H](C)N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000041474023 183193776 /nfs/dbraw/zinc/19/37/76/183193776.db2.gz NGMKZNKBAKOFQY-SNVBAGLBSA-N 0 0 318.377 0.893 50 0 DCAARN Cc1cc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n(C)n1 ZINC000041830020 183221926 /nfs/dbraw/zinc/22/19/26/183221926.db2.gz WYMYKICVXXSYDX-JTQLQIEISA-N 0 0 300.384 0.339 50 0 DCAARN CC(C)[C@H](CNC(=O)CNC(=O)C(C)(C)C)N1CCOCC1 ZINC000042028571 183230258 /nfs/dbraw/zinc/23/02/58/183230258.db2.gz IBSAJBPUBDATIQ-ZDUSSCGKSA-N 0 0 313.442 0.622 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CC[C@H]1CCCO1 ZINC000042043189 183230729 /nfs/dbraw/zinc/23/07/29/183230729.db2.gz VKVKQKAVXLXCQK-CHWSQXEVSA-N 0 0 318.439 0.876 50 0 DCAARN C[C@H](Cn1ccnc1)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000042536256 183281778 /nfs/dbraw/zinc/28/17/78/183281778.db2.gz ASXWVLPQBPUIDP-NEPJUHHUSA-N 0 0 314.411 0.059 50 0 DCAARN Cn1ncc2c1ncn(C[C@H](O)COc1ccc(F)cc1)c2=O ZINC000042758203 183306261 /nfs/dbraw/zinc/30/62/61/183306261.db2.gz ZVMAUBIMYMHWNK-NSHDSACASA-N 0 0 318.308 0.709 50 0 DCAARN O=C(NCCCOCc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000042659136 183294429 /nfs/dbraw/zinc/29/44/29/183294429.db2.gz ZZQKWRUIRWPGLB-LLVKDONJSA-N 0 0 301.364 0.737 50 0 DCAARN NC(=O)N1CCC(C(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000042726463 183302738 /nfs/dbraw/zinc/30/27/38/183302738.db2.gz OREAHIGLGRCGFZ-ZDUSSCGKSA-N 0 0 303.362 0.897 50 0 DCAARN Cc1nn(C)c2ncc(NC(=O)CC[C@H]3NC(=O)NC3=O)cc12 ZINC000042944353 183319868 /nfs/dbraw/zinc/31/98/68/183319868.db2.gz SQHIUNFPGDDBJU-SNVBAGLBSA-N 0 0 316.321 0.203 50 0 DCAARN NS(=O)(=O)c1ccc(CNC(=O)NCc2ccoc2)cc1 ZINC000042954011 183321972 /nfs/dbraw/zinc/32/19/72/183321972.db2.gz NPTYSACPWQHIMK-UHFFFAOYSA-N 0 0 309.347 0.926 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCc2ccco2)C1 ZINC000042840191 183312800 /nfs/dbraw/zinc/31/28/00/183312800.db2.gz GPTJXFDTNVETCY-SNVBAGLBSA-N 0 0 301.368 0.503 50 0 DCAARN CNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 ZINC000044892015 183449005 /nfs/dbraw/zinc/44/90/05/183449005.db2.gz JVULHKVVGPPXGS-UHFFFAOYSA-N 0 0 313.361 0.866 50 0 DCAARN Cc1nc2[nH]cnn2c(=O)c1CCC(=O)Nc1nncs1 ZINC000105821796 194138841 /nfs/dbraw/zinc/13/88/41/194138841.db2.gz FGIMDAXGRUNDIT-UHFFFAOYSA-N 0 0 305.323 0.561 50 0 DCAARN C[C@H](Cc1ccco1)NC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000048229909 183629010 /nfs/dbraw/zinc/62/90/10/183629010.db2.gz DCRKDMBNJDBILQ-ZYHUDNBSSA-N 0 0 300.380 0.751 50 0 DCAARN C[C@@H](NS(=O)(=O)N1CCCC[C@@H]1C)C(=O)NC(C)(C)C ZINC000106515269 194221824 /nfs/dbraw/zinc/22/18/24/194221824.db2.gz DANYIDZQAVWPEG-WDEREUQCSA-N 0 0 305.444 0.998 50 0 DCAARN C[C@H](CNC(=O)N[C@H](C)c1nncn1C)N1C[C@@H](C)O[C@H](C)C1 ZINC000106567706 194231968 /nfs/dbraw/zinc/23/19/68/194231968.db2.gz KIUMMGJDGMFOEX-FDYHWXHSSA-N 0 0 324.429 0.673 50 0 DCAARN C[C@@]1(c2cccs2)NC(=O)N(CC(=O)N2CCOCC2)C1=O ZINC000053863114 183914771 /nfs/dbraw/zinc/91/47/71/183914771.db2.gz KTBDKPGEVLIDSB-AWEZNQCLSA-N 0 0 323.374 0.374 50 0 DCAARN CCOc1cc(S(=O)(=O)N(CCO)CCO)c(C)cc1C ZINC000054363482 183936518 /nfs/dbraw/zinc/93/65/18/183936518.db2.gz ILSZJIRBUGWXQB-UHFFFAOYSA-N 0 0 317.407 0.677 50 0 DCAARN O=C(NCc1ccnc(NC(=O)[C@H]2CCCO2)c1)[C@H]1CCCO1 ZINC000273413333 210752173 /nfs/dbraw/zinc/75/21/73/210752173.db2.gz WNDZRLYCKZBQLA-CHWSQXEVSA-N 0 0 319.361 0.994 50 0 DCAARN CCCn1nc(C(=O)N[C@@H](C(N)=O)c2ccccc2)ccc1=O ZINC000054691783 183948860 /nfs/dbraw/zinc/94/88/60/183948860.db2.gz VPZKAUHQOJSWAS-CQSZACIVSA-N 0 0 314.345 0.610 50 0 DCAARN Cc1cc(C)n(CCNC(=O)CCN2CCCCO2)c(=O)n1 ZINC000055569057 183992011 /nfs/dbraw/zinc/99/20/11/183992011.db2.gz ATKJHSUSHWCDBM-UHFFFAOYSA-N 0 0 308.382 0.394 50 0 DCAARN Cc1csc(CNC(=O)CN(C)c2ncnc3nc[nH]c32)n1 ZINC000056458191 184012885 /nfs/dbraw/zinc/01/28/85/184012885.db2.gz BYGZOYNITFXNIX-UHFFFAOYSA-N 0 0 317.378 0.870 50 0 DCAARN CN(CC(=O)NCCCn1cccn1)c1ncnc2nc[nH]c21 ZINC000056873182 184020883 /nfs/dbraw/zinc/02/08/83/184020883.db2.gz NUIHDQMCZDRTDE-UHFFFAOYSA-N 0 0 314.353 0.192 50 0 DCAARN COCCNC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1C ZINC000057521259 184041073 /nfs/dbraw/zinc/04/10/73/184041073.db2.gz JIWVTUYIRRBUQQ-UHFFFAOYSA-N 0 0 310.379 0.425 50 0 DCAARN CCc1ccc(NCC(=O)N2CCNC2=O)c(C(=O)OC)c1 ZINC000057860063 184058308 /nfs/dbraw/zinc/05/83/08/184058308.db2.gz OIEOABTWDRNYKS-UHFFFAOYSA-N 0 0 305.334 0.999 50 0 DCAARN CCS(=O)(=O)N1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000058192799 184086671 /nfs/dbraw/zinc/08/66/71/184086671.db2.gz MKNNMEWSSCRFOH-UHFFFAOYSA-N 0 0 314.382 0.862 50 0 DCAARN CCOC(=O)CCCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000058264331 184095565 /nfs/dbraw/zinc/09/55/65/184095565.db2.gz RDYODPGLQDARCE-GHMZBOCLSA-N 0 0 308.400 0.273 50 0 DCAARN CC(C)CNC(=O)CN1CCC(N(C)S(C)(=O)=O)CC1 ZINC000058291495 184100849 /nfs/dbraw/zinc/10/08/49/184100849.db2.gz HYWZFNNPLFMMKD-UHFFFAOYSA-N 0 0 305.444 0.114 50 0 DCAARN O=C(Cn1c(=O)onc1-c1ccccn1)NCc1ccco1 ZINC000058295064 184102053 /nfs/dbraw/zinc/10/20/53/184102053.db2.gz NQNBODQIAPDCEA-UHFFFAOYSA-N 0 0 300.274 0.808 50 0 DCAARN COc1cccc(CC(=O)N2CCN([C@@H](C)C(N)=O)CC2)c1 ZINC000058394255 184112614 /nfs/dbraw/zinc/11/26/14/184112614.db2.gz GSGDDPPVBKVUJU-LBPRGKRZSA-N 0 0 305.378 0.256 50 0 DCAARN Cc1c(C(=O)N2CCC(C(N)=O)CC2)sc2[nH]cnc(=O)c12 ZINC000061718759 184185254 /nfs/dbraw/zinc/18/52/54/184185254.db2.gz SIQTZEBBHKSFAH-UHFFFAOYSA-N 0 0 320.374 0.631 50 0 DCAARN CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000061924621 184195826 /nfs/dbraw/zinc/19/58/26/184195826.db2.gz BZVYBQCWASEBIK-UHFFFAOYSA-N 0 0 317.267 0.896 50 0 DCAARN CC(C)NC(=O)CS(=O)(=O)Cc1cccc2c1OCCO2 ZINC000064356841 184295515 /nfs/dbraw/zinc/29/55/15/184295515.db2.gz YHUNIMAAEFPISI-UHFFFAOYSA-N 0 0 313.375 0.897 50 0 DCAARN CCCn1nc2ccc(S(=O)(=O)N3CCCC3)cn2c1=O ZINC000065198648 184314328 /nfs/dbraw/zinc/31/43/28/184314328.db2.gz QBRMVUSEDXCZPZ-UHFFFAOYSA-N 0 0 310.379 0.691 50 0 DCAARN COCc1cc(=O)n(CC(=O)Nc2ccc(C)cc2)c(N)n1 ZINC000065310947 184324206 /nfs/dbraw/zinc/32/42/06/184324206.db2.gz AGWAMLUWOQNQOW-UHFFFAOYSA-N 0 0 302.334 0.919 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3cccnc3n2)CN1C ZINC000065375400 184331414 /nfs/dbraw/zinc/33/14/14/184331414.db2.gz ZWTAINKITCJFIA-YPMHNXCESA-N 0 0 314.345 0.605 50 0 DCAARN O=C(CNCc1nnc(-c2ccccc2)[nH]1)Nc1cnccn1 ZINC000065382651 184332545 /nfs/dbraw/zinc/33/25/45/184332545.db2.gz FYXBRADSGDDUSA-UHFFFAOYSA-N 0 0 309.333 0.990 50 0 DCAARN CCOC(=O)CN(Cc1nc2c(cnn2C)c(=O)[nH]1)C1CC1 ZINC000065413969 184340866 /nfs/dbraw/zinc/34/08/66/184340866.db2.gz PLUXKARAGHMGBX-UHFFFAOYSA-N 0 0 305.338 0.184 50 0 DCAARN CC(=O)N1CCCN(C(=O)NCCNc2cnccn2)CC1 ZINC000065439784 184345233 /nfs/dbraw/zinc/34/52/33/184345233.db2.gz ZMKDOWIGUFCBKO-UHFFFAOYSA-N 0 0 306.370 0.152 50 0 DCAARN CCO[C@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000065459392 184348303 /nfs/dbraw/zinc/34/83/03/184348303.db2.gz RDPUIYGLXSLXHD-LRDDRELGSA-N 0 0 323.393 0.734 50 0 DCAARN CC(=O)c1cc(CC(=O)N2CCN3CCNC(=O)[C@@H]3C2)cs1 ZINC000065463933 184349572 /nfs/dbraw/zinc/34/95/72/184349572.db2.gz ZNVOVCKTFSMGDH-LBPRGKRZSA-N 0 0 321.402 0.136 50 0 DCAARN CC[C@H](CO)NC(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000065479756 184352664 /nfs/dbraw/zinc/35/26/64/184352664.db2.gz UTRHQEJUKTVPMY-OCCSQVGLSA-N 0 0 317.455 0.264 50 0 DCAARN COC(=O)C1=NO[C@@H](C(=O)Nc2ccc3c(c2)CCC(=O)N3)C1 ZINC000065490900 184353501 /nfs/dbraw/zinc/35/35/01/184353501.db2.gz VCMUEVAWOPCDNM-GFCCVEGCSA-N 0 0 317.301 0.828 50 0 DCAARN Cc1cccc([C@H](C(=O)NCCNS(C)(=O)=O)N(C)C)c1 ZINC000065405552 184338057 /nfs/dbraw/zinc/33/80/57/184338057.db2.gz IMDAWVKOJIOBLQ-CYBMUJFWSA-N 0 0 313.423 0.263 50 0 DCAARN Cn1ccnc1CN1CCN(Cc2nnc(C3CC3)n2C)CC1 ZINC000065610788 184373049 /nfs/dbraw/zinc/37/30/49/184373049.db2.gz JPYXQHLCSCJMDQ-UHFFFAOYSA-N 0 0 315.425 0.744 50 0 DCAARN CCOCCO[C@H](C)C(=O)NCCC(=O)NCc1ccncc1 ZINC000065539516 184363419 /nfs/dbraw/zinc/36/34/19/184363419.db2.gz VPWJBDNYEQGFKW-CYBMUJFWSA-N 0 0 323.393 0.646 50 0 DCAARN CCOc1ccc(C(=O)N2CCCN(CC(N)=O)CC2)cn1 ZINC000065539040 184363458 /nfs/dbraw/zinc/36/34/58/184363458.db2.gz RYFMRTVJZUTVDK-UHFFFAOYSA-N 0 0 306.366 0.114 50 0 DCAARN c1cnn(CCN2CCc3ncnc(N4CCOCC4)c3C2)c1 ZINC000065543189 184363863 /nfs/dbraw/zinc/36/38/63/184363863.db2.gz JPWJOKWKVLVNKK-UHFFFAOYSA-N 0 0 314.393 0.568 50 0 DCAARN CC[C@](C)(CNC(=O)N[C@H](C)c1nncn1C)N1CCOCC1 ZINC000065566927 184367399 /nfs/dbraw/zinc/36/73/99/184367399.db2.gz QYXUDKSOFXGUEH-IUODEOHRSA-N 0 0 324.429 0.676 50 0 DCAARN CNS(=O)(=O)Cc1ccc(CNC(=O)Nc2cn[nH]c2)cc1 ZINC000065575094 184367709 /nfs/dbraw/zinc/36/77/09/184367709.db2.gz CMNMUWOWAACAMP-UHFFFAOYSA-N 0 0 323.378 0.781 50 0 DCAARN O=C(Cn1ncc2ccccc2c1=O)N[C@H]1CCc2nccn2C1 ZINC000065593292 184370552 /nfs/dbraw/zinc/37/05/52/184370552.db2.gz VPNTYLPNQSZVDV-ZDUSSCGKSA-N 0 0 323.356 0.724 50 0 DCAARN CCOCCC(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000065609016 184372604 /nfs/dbraw/zinc/37/26/04/184372604.db2.gz DFXKKIYIXTXZOM-UHFFFAOYSA-N 0 0 314.407 0.980 50 0 DCAARN COC[C@@H](O)CNc1nc(C)nc2c1CCN(C(C)=O)CC2 ZINC000065505844 184356475 /nfs/dbraw/zinc/35/64/75/184356475.db2.gz IUWXWIYMCRSXAN-LBPRGKRZSA-N 0 0 308.382 0.151 50 0 DCAARN C[C@@H](CNC(=O)CN1CCc2sccc2C1)N1CCOCC1 ZINC000065611569 184373868 /nfs/dbraw/zinc/37/38/68/184373868.db2.gz IXWIWMWXIXZSFO-ZDUSSCGKSA-N 0 0 323.462 0.943 50 0 DCAARN C[C@H](NC(=O)c1ccoc1)C(=O)NCCC(=O)N1CCCC1 ZINC000069454218 184516068 /nfs/dbraw/zinc/51/60/68/184516068.db2.gz BLSNIAWWUKDDMO-NSHDSACASA-N 0 0 307.350 0.527 50 0 DCAARN O[C@@H](CN1CCOCC1)CN1CCc2c(ncn2C2CC2)C1 ZINC000069464628 184517645 /nfs/dbraw/zinc/51/76/45/184517645.db2.gz XHXBGPTXZYDNAH-AWEZNQCLSA-N 0 0 306.410 0.269 50 0 DCAARN Cc1ccc(F)c(-n2nnnc2CN2CCC[C@H]2C(N)=O)c1 ZINC000069483766 184518374 /nfs/dbraw/zinc/51/83/74/184518374.db2.gz UHXHTHQHKRRKCL-NSHDSACASA-N 0 0 304.329 0.560 50 0 DCAARN COCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000096181739 285072352 /nfs/dbraw/zinc/07/23/52/285072352.db2.gz MDHLHQZMYOXDJB-KGLIPLIRSA-N 0 0 310.325 0.487 50 0 DCAARN C[C@@H]1Cc2ccccc2N1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000155117024 197023146 /nfs/dbraw/zinc/02/31/46/197023146.db2.gz UVTDQDTYCDZIRZ-PWSUYJOCSA-N 0 0 316.361 0.152 50 0 DCAARN O=C(C[C@@H]1COCCN1Cc1nc(=O)[nH][nH]1)c1ccccc1 ZINC000152722022 196818414 /nfs/dbraw/zinc/81/84/14/196818414.db2.gz SUIHNEQGZYNNSO-GFCCVEGCSA-N 0 0 302.334 0.572 50 0 DCAARN COC(=O)[C@H](C)NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000080330891 256547693 /nfs/dbraw/zinc/54/76/93/256547693.db2.gz BYVHLDAOSFWMSO-VIFPVBQESA-N 0 0 303.318 0.154 50 0 DCAARN Cc1cc(=O)c(OCC(=O)NCCNc2ncccn2)c[nH]1 ZINC000524735640 257213196 /nfs/dbraw/zinc/21/31/96/257213196.db2.gz PCNXHGMDCKAHLP-UHFFFAOYSA-N 0 0 303.322 0.080 50 0 DCAARN COC(=O)CCNC(=O)CC1(Cn2cnnn2)CCCCC1 ZINC000524733258 257213873 /nfs/dbraw/zinc/21/38/73/257213873.db2.gz BQLHTRBVBOLVTF-UHFFFAOYSA-N 0 0 309.370 0.693 50 0 DCAARN CC1(C(=O)N[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]2O)COC1 ZINC000426552014 257246654 /nfs/dbraw/zinc/24/66/54/257246654.db2.gz QVVQPBGVZICKOG-ZIAGYGMSSA-N 0 0 318.373 0.415 50 0 DCAARN CS(=O)(=O)N1CCCN(C(=O)c2nc3ccccc3[nH]2)CC1 ZINC000426489673 257248313 /nfs/dbraw/zinc/24/83/13/257248313.db2.gz PXXCBYGKHGJNNX-UHFFFAOYSA-N 0 0 322.390 0.670 50 0 DCAARN O=C(Cc1nc2ccccc2[nH]1)N1CCN(CCCO)CC1 ZINC000426490166 257249428 /nfs/dbraw/zinc/24/94/28/257249428.db2.gz HBMNJPGGFAROCU-UHFFFAOYSA-N 0 0 302.378 0.632 50 0 DCAARN CCc1noc(CN(CC)C(=O)N[C@@H]2CCC(=O)N(C)C2)n1 ZINC000426438946 257250025 /nfs/dbraw/zinc/25/00/25/257250025.db2.gz VKHCUSVASBIXPK-SNVBAGLBSA-N 0 0 309.370 0.784 50 0 DCAARN C[N@@H+]1C[C@H]2CN(C(=O)Cc3ccc(F)c(F)c3)C[C@@]2(C(=O)[O-])C1 ZINC000426383317 257252441 /nfs/dbraw/zinc/25/24/41/257252441.db2.gz PNHOXJKHLQEPPU-ZBEGNZNMSA-N 0 0 324.327 0.982 50 0 DCAARN CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1nnc3nc(C)ccn31)C2 ZINC000426358303 257253000 /nfs/dbraw/zinc/25/30/00/257253000.db2.gz LKZPAYOUTXIVGG-GDNZZTSVSA-N 0 0 301.350 0.930 50 0 DCAARN Cc1[nH]nc(C(=O)N2CCO[C@H](C(=O)N(C)C)C2)c1Cl ZINC000426361071 257253152 /nfs/dbraw/zinc/25/31/52/257253152.db2.gz DCZHHCMPCPNCAB-QMMMGPOBSA-N 0 0 300.746 0.301 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)[C@@H](C)OC[C@H]2CCCO2)CC1 ZINC000252475209 257258950 /nfs/dbraw/zinc/25/89/50/257258950.db2.gz VYJHEEPOWIRGTH-QLFBSQMISA-N 0 0 314.426 0.486 50 0 DCAARN CNS(=O)(=O)C[C@@H]1CCCN1Cc1occc1C(=O)OC ZINC000075105063 257271253 /nfs/dbraw/zinc/27/12/53/257271253.db2.gz JNLWCDOWIWOFDJ-JTQLQIEISA-N 0 0 316.379 0.580 50 0 DCAARN O=C([O-])c1cncc(N2CC[N@@H+](C3CCCC3)C[C@H](O)C2)n1 ZINC000102537030 304279610 /nfs/dbraw/zinc/27/96/10/304279610.db2.gz NQZFJRMKIRKQLT-LBPRGKRZSA-N 0 0 306.366 0.600 50 0 DCAARN C[C@@H](C(=O)N1CCCC[C@H]1Cn1cccn1)N1CCOCC1 ZINC000071865418 184875219 /nfs/dbraw/zinc/87/52/19/184875219.db2.gz YIWPISJRTFORBK-GJZGRUSLSA-N 0 0 306.410 0.985 50 0 DCAARN c1coc(-c2noc(CN3CCO[C@@H](Cn4cncn4)C3)n2)c1 ZINC000071876575 184882232 /nfs/dbraw/zinc/88/22/32/184882232.db2.gz TWZSYBKWWXRVMK-LLVKDONJSA-N 0 0 316.321 0.822 50 0 DCAARN CCCNC(=O)CN1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000071892845 184890537 /nfs/dbraw/zinc/89/05/37/184890537.db2.gz GCMTXRMHIPIMTP-MRXNPFEDSA-N 0 0 318.421 0.357 50 0 DCAARN Cn1cc(N2CC[C@@H](NS(=O)(=O)c3ccccc3)C2)cn1 ZINC000071910791 184901657 /nfs/dbraw/zinc/90/16/57/184901657.db2.gz GEAOGUXVPUBULA-GFCCVEGCSA-N 0 0 306.391 0.977 50 0 DCAARN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000071915362 184904231 /nfs/dbraw/zinc/90/42/31/184904231.db2.gz SWWQIGPUFZMOQQ-SMDDNHRTSA-N 0 0 321.377 0.771 50 0 DCAARN NC(=O)[C@]1(O)CCCN(C(=O)c2cccnc2C(F)(F)F)C1 ZINC000284838987 131115430 /nfs/dbraw/zinc/11/54/30/131115430.db2.gz CYNAYDCXFJNLBK-LBPRGKRZSA-N 0 0 317.267 0.553 50 0 DCAARN C[C@H]1Oc2ccccc2N(CC(=O)NC[C@H]2CCOC2)C1=O ZINC000041370330 134725766 /nfs/dbraw/zinc/72/57/66/134725766.db2.gz YRJKZQFDFZXJIV-VXGBXAGGSA-N 0 0 304.346 0.953 50 0 DCAARN COc1ccc(-c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)c(OC)c1 ZINC000008577935 395684705 /nfs/dbraw/zinc/68/47/05/395684705.db2.gz HBUQFUGZVUPQIO-UHFFFAOYSA-N 0 0 316.317 0.645 50 0 DCAARN COc1ccc(S(=O)(=O)NCCn2cncn2)cc1OC ZINC000008714485 395684873 /nfs/dbraw/zinc/68/48/73/395684873.db2.gz ZNOCWEMLNJHUOT-UHFFFAOYSA-N 0 0 312.351 0.274 50 0 DCAARN COc1ccccc1N1CCN(c2ccc3nnnn3n2)CC1 ZINC000008726857 395684960 /nfs/dbraw/zinc/68/49/60/395684960.db2.gz JRSVESCZQWQKBC-UHFFFAOYSA-N 0 0 311.349 0.855 50 0 DCAARN O=CN(CCS(=O)(=O)N1CCCCC1)Cc1ccncc1 ZINC000008993130 395685024 /nfs/dbraw/zinc/68/50/24/395685024.db2.gz RHAYREOOEAZCND-UHFFFAOYSA-N 0 0 311.407 0.856 50 0 DCAARN COc1nn(C)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000009069594 395685158 /nfs/dbraw/zinc/68/51/58/395685158.db2.gz QWJUYBCEGLXKFL-UHFFFAOYSA-N 0 0 318.333 0.620 50 0 DCAARN CC[C@H](C)NC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12 ZINC000009623306 395685454 /nfs/dbraw/zinc/68/54/54/395685454.db2.gz VCDOHJVXKGBZLI-VIFPVBQESA-N 0 0 302.334 0.454 50 0 DCAARN CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 ZINC000010367682 395686049 /nfs/dbraw/zinc/68/60/49/395686049.db2.gz OAXDMIAGWDIOMQ-LLVKDONJSA-N 0 0 305.444 0.810 50 0 DCAARN CN(C)S(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000010339167 395686061 /nfs/dbraw/zinc/68/60/61/395686061.db2.gz RKVUXLDBFXISCO-UHFFFAOYSA-N 0 0 317.455 0.954 50 0 DCAARN O=c1cccnn1CCNS(=O)(=O)c1cc(F)ccc1F ZINC000011856355 395687013 /nfs/dbraw/zinc/68/70/13/395687013.db2.gz LUYSMUFBGXVTPY-UHFFFAOYSA-N 0 0 315.301 0.500 50 0 DCAARN O=C(CCNc1ncnc2nc[nH]c21)NCCCn1ccnc1 ZINC000012323706 395687365 /nfs/dbraw/zinc/68/73/65/395687365.db2.gz PNXSCADVSANWMX-UHFFFAOYSA-N 0 0 314.353 0.558 50 0 DCAARN COCC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000012322164 395687530 /nfs/dbraw/zinc/68/75/30/395687530.db2.gz XTJSISKADZJDLY-UHFFFAOYSA-N 0 0 313.317 0.371 50 0 DCAARN O=CN1CCN(C(=O)c2ccc(Cl)cc2-n2cnnn2)CC1 ZINC000012391711 395687550 /nfs/dbraw/zinc/68/75/50/395687550.db2.gz JPYCPFGAHIYNCM-UHFFFAOYSA-N 0 0 320.740 0.230 50 0 DCAARN Cc1ccc(NC(=O)Cn2cnc3c(nnn3C)c2=O)c(C)c1 ZINC000012443917 395687667 /nfs/dbraw/zinc/68/76/67/395687667.db2.gz XBHUMOHYPWFXJI-UHFFFAOYSA-N 0 0 312.333 0.781 50 0 DCAARN C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCNC(=O)C1 ZINC000012517540 395687754 /nfs/dbraw/zinc/68/77/54/395687754.db2.gz MJDKXOXXUQYZFB-JTQLQIEISA-N 0 0 313.365 0.690 50 0 DCAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(N)=O)c(Br)c1 ZINC000012951118 395688270 /nfs/dbraw/zinc/68/82/70/395688270.db2.gz DYWAKOKVJFNQPS-SSDOTTSWSA-N 0 0 321.196 0.910 50 0 DCAARN CC[C@H](Oc1ccccc1)C(=O)OCc1nc(N)nc(N)n1 ZINC000012984090 395688303 /nfs/dbraw/zinc/68/83/03/395688303.db2.gz DEXFXFJWGLQKPJ-JTQLQIEISA-N 0 0 303.322 0.937 50 0 DCAARN CCn1nnc2c1ncn(CC(=O)Nc1ccccc1F)c2=O ZINC000013531387 395688529 /nfs/dbraw/zinc/68/85/29/395688529.db2.gz URYAJMYCFBTBEL-UHFFFAOYSA-N 0 0 316.296 0.786 50 0 DCAARN CCn1nnc2c1ncnc2SCC(=O)NC[C@H]1CCCO1 ZINC000013532212 395688623 /nfs/dbraw/zinc/68/86/23/395688623.db2.gz PKRLWLKPOGPFNU-SECBINFHSA-N 0 0 322.394 0.629 50 0 DCAARN Cc1cc(NC(=O)CSc2ncnc3c2nnn3C)no1 ZINC000013531886 395688727 /nfs/dbraw/zinc/68/87/27/395688727.db2.gz AAAYBCLCHYNLGB-UHFFFAOYSA-N 0 0 305.323 0.786 50 0 DCAARN CCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1OC ZINC000013678284 395688759 /nfs/dbraw/zinc/68/87/59/395688759.db2.gz BMUKZMGGARKFLK-UHFFFAOYSA-N 0 0 316.379 0.370 50 0 DCAARN Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCN(C)CC1 ZINC000014031438 395689052 /nfs/dbraw/zinc/68/90/52/395689052.db2.gz YWQOUNULILBYME-NSHDSACASA-N 0 0 308.407 0.363 50 0 DCAARN COCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O ZINC000014165612 395689214 /nfs/dbraw/zinc/68/92/14/395689214.db2.gz GBGFCXOIXKGEQV-UHFFFAOYSA-N 0 0 323.280 0.201 50 0 DCAARN Cc1nc2sccn2c(=O)c1S(=O)(=O)N1CCOCC1 ZINC000016249195 395690351 /nfs/dbraw/zinc/69/03/51/395690351.db2.gz RITDJSBHYMSOBN-UHFFFAOYSA-N 0 0 315.376 0.085 50 0 DCAARN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000024051022 395692730 /nfs/dbraw/zinc/69/27/30/395692730.db2.gz MJSUCJKKGDWZBM-UHFFFAOYSA-N 0 0 305.377 0.111 50 0 DCAARN O=C(Oc1nsnc1N1CCOCC1)N1CCOCC1 ZINC000000037002 395679624 /nfs/dbraw/zinc/67/96/24/395679624.db2.gz LLDQLRHLAFGGIZ-UHFFFAOYSA-N 0 0 300.340 0.206 50 0 DCAARN Cn1c2nc(NN)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000000042071 395679640 /nfs/dbraw/zinc/67/96/40/395679640.db2.gz OXGMHFKYUHYTME-UHFFFAOYSA-N 0 0 314.349 0.342 50 0 DCAARN COc1nc(N2CCCC2)nc(-n2nnc(C(C)=O)c2C)n1 ZINC000000108083 395679850 /nfs/dbraw/zinc/67/98/50/395679850.db2.gz CPQSEPWTDBIABD-UHFFFAOYSA-N 0 0 303.326 0.572 50 0 DCAARN COCc1nnc(NC(=O)[C@@H]2CSC(C)(C)N2C=O)s1 ZINC000000115360 395679852 /nfs/dbraw/zinc/67/98/52/395679852.db2.gz VFAOFEZZJOAFQM-ZETCQYMHSA-N 0 0 316.408 0.933 50 0 DCAARN COC(=O)Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O ZINC000000252788 395680074 /nfs/dbraw/zinc/68/00/74/395680074.db2.gz YMHUUKNZPCWYHG-UHFFFAOYSA-N 0 0 317.280 0.348 50 0 DCAARN CCc1ccccc1NC(=O)Cn1nnc(C(=O)OC)c1N ZINC000000248842 395680110 /nfs/dbraw/zinc/68/01/10/395680110.db2.gz LSLFJCRCPGKZDW-UHFFFAOYSA-N 0 0 303.322 0.848 50 0 DCAARN CNC(=O)CCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000000310836 395680151 /nfs/dbraw/zinc/68/01/51/395680151.db2.gz CJEITOLSTAHTOB-UHFFFAOYSA-N 0 0 316.361 0.949 50 0 DCAARN CCS(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCO2)CC1 ZINC000000262468 395680152 /nfs/dbraw/zinc/68/01/52/395680152.db2.gz ZTAIOMSUGXJQJB-GFCCVEGCSA-N 0 0 304.412 0.343 50 0 DCAARN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCOCC1 ZINC000000319455 395680162 /nfs/dbraw/zinc/68/01/62/395680162.db2.gz REXGQFYLVWDXMC-UHFFFAOYSA-N 0 0 303.318 0.351 50 0 DCAARN O=C(OC1Cn2c(=O)ccc(=O)n2C1)c1ccccc1Cl ZINC000000303899 395680169 /nfs/dbraw/zinc/68/01/69/395680169.db2.gz PMWGEVRIYNOYSG-UHFFFAOYSA-N 0 0 306.705 0.903 50 0 DCAARN Cn1c(NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000280496 395680219 /nfs/dbraw/zinc/68/02/19/395680219.db2.gz PDMRCZKKXHBCCP-UHFFFAOYSA-N 0 0 313.361 0.625 50 0 biogenic DCAARN COc1ccc(/C=C/C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000000369114 395680285 /nfs/dbraw/zinc/68/02/85/395680285.db2.gz DAJYTXHAZXRBGN-RMKNXTFCSA-N 0 0 315.329 0.745 50 0 DCAARN CS(=O)(=O)n1cc(-c2ccccn2)c(N2CCOCC2)n1 ZINC000001395587 395680745 /nfs/dbraw/zinc/68/07/45/395680745.db2.gz RPZIGBMEOXCADD-UHFFFAOYSA-N 0 0 308.363 0.589 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1-n1cnnn1 ZINC000001423352 395680833 /nfs/dbraw/zinc/68/08/33/395680833.db2.gz AGIIEEBXXUYXFU-UHFFFAOYSA-N 0 0 323.378 0.846 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)cc1OC ZINC000001440924 395680852 /nfs/dbraw/zinc/68/08/52/395680852.db2.gz NPQHRLOMEMYJOO-SNVBAGLBSA-N 0 0 314.363 0.342 50 0 DCAARN COCCn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002271818 395681383 /nfs/dbraw/zinc/68/13/83/395681383.db2.gz DNHTYVDOTRYEHO-UHFFFAOYSA-N 0 0 321.381 0.450 50 0 DCAARN OC[C@@H]1O[C@@H](Oc2cccc3ccccc32)[C@@H](O)[C@H](O)[C@H]1O ZINC000002533945 395681578 /nfs/dbraw/zinc/68/15/78/395681578.db2.gz CVAOQMBKGUKOIZ-ARKGTOAJSA-N 0 0 306.314 0.019 50 0 DCAARN C[C@H](NCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccccc1 ZINC000002442813 395681590 /nfs/dbraw/zinc/68/15/90/395681590.db2.gz QRMMPFGUQVKAQQ-JTQLQIEISA-N 0 0 313.361 0.811 50 0 DCAARN COC(=O)CNC(=O)CSc1nnc(-c2ccccc2)n1C ZINC000002657021 395681802 /nfs/dbraw/zinc/68/18/02/395681802.db2.gz SZWPQUVRPXGDCY-UHFFFAOYSA-N 0 0 320.374 0.863 50 0 DCAARN O=C(CN1C(=O)CSCC1=O)Nc1ccc2c(c1)OCO2 ZINC000002710701 395681837 /nfs/dbraw/zinc/68/18/37/395681837.db2.gz ZCHVQZXPKKYGPL-UHFFFAOYSA-N 0 0 308.315 0.456 50 0 DCAARN COCCNC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O ZINC000002952181 395682170 /nfs/dbraw/zinc/68/21/70/395682170.db2.gz AFUUETRRZPHFJS-UHFFFAOYSA-N 0 0 305.334 0.233 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)Oc1ccc(C(=O)OC)cc1OC ZINC000007033247 395683243 /nfs/dbraw/zinc/68/32/43/395683243.db2.gz YSEDLLNFHJRGBW-MRVPVSSYSA-N 0 0 310.306 0.705 50 0 DCAARN O=C(NCCCNS(=O)(=O)c1ccccc1)c1cnccn1 ZINC000007871494 395683658 /nfs/dbraw/zinc/68/36/58/395683658.db2.gz WXBVANBEAKNVDS-UHFFFAOYSA-N 0 0 320.374 0.575 50 0 DCAARN O=C(NCCCN1C(=O)c2ccccc2C1=O)c1cnccn1 ZINC000007871706 395683761 /nfs/dbraw/zinc/68/37/61/395683761.db2.gz NZKSDNFRGYAWJD-UHFFFAOYSA-N 0 0 310.313 0.893 50 0 DCAARN CCNC(=O)CNC(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000008094854 395684016 /nfs/dbraw/zinc/68/40/16/395684016.db2.gz ZCTRMGQPFBPQMK-UHFFFAOYSA-N 0 0 303.362 0.608 50 0 DCAARN O=C(c1cnccn1)N1CCN(C[C@H](O)c2ccco2)CC1 ZINC000085436776 395700506 /nfs/dbraw/zinc/70/05/06/395700506.db2.gz OTFZUBYCLPZQIH-ZDUSSCGKSA-N 0 0 302.334 0.561 50 0 DCAARN O=C(CNC(=O)Cc1ccccc1)NCCCn1cccn1 ZINC000030167973 395702005 /nfs/dbraw/zinc/70/20/05/395702005.db2.gz YEIXRWZMGRRIBU-UHFFFAOYSA-N 0 0 300.362 0.748 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1F ZINC000030556528 395702896 /nfs/dbraw/zinc/70/28/96/395702896.db2.gz HAXSZINBJIWWDB-ZDUSSCGKSA-N 0 0 314.382 0.908 50 0 DCAARN CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)NC)cn2C)CCO1 ZINC000030852166 395704315 /nfs/dbraw/zinc/70/43/15/395704315.db2.gz PFLBRZHVVURJNA-JTQLQIEISA-N 0 0 315.395 0.184 50 0 DCAARN COc1ccc(OC)c([C@@H](O)CNC(=O)c2cnccn2)c1 ZINC000031338966 395706297 /nfs/dbraw/zinc/70/62/97/395706297.db2.gz JMWNTPIHNJBYRA-ZDUSSCGKSA-N 0 0 303.318 0.957 50 0 DCAARN O=C(Nc1nncs1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000031273319 395706436 /nfs/dbraw/zinc/70/64/36/395706436.db2.gz QTLQBIJZEYAQOW-VIFPVBQESA-N 0 0 303.347 0.920 50 0 DCAARN C[C@H]1C[C@@H]1C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC000031423566 395706680 /nfs/dbraw/zinc/70/66/80/395706680.db2.gz NLGZLLYDURMZMI-AAEUAGOBSA-N 0 0 303.362 0.191 50 0 DCAARN CC(C)NC(=O)COC(=O)CCn1nnc2ccccc2c1=O ZINC000031640331 395707803 /nfs/dbraw/zinc/70/78/03/395707803.db2.gz WHWYOHYIZWWTNG-UHFFFAOYSA-N 0 0 318.333 0.249 50 0 DCAARN O=C(NCCN1CCOCC1)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000031811841 395708557 /nfs/dbraw/zinc/70/85/57/395708557.db2.gz DUQCXEOFIXAJLP-UHFFFAOYSA-N 0 0 316.361 0.555 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)CCCn3cncn3)CCO2)[nH]1 ZINC000089289734 395709227 /nfs/dbraw/zinc/70/92/27/395709227.db2.gz JJWSFEPYPOLKDQ-NSHDSACASA-N 0 0 319.369 0.339 50 0 DCAARN Cc1occc(=O)c1OCc1noc(C(=O)NCCCO)n1 ZINC000032106084 395709582 /nfs/dbraw/zinc/70/95/82/395709582.db2.gz GPXJGBKAKCVEFB-UHFFFAOYSA-N 0 0 309.278 0.022 50 0 DCAARN CCn1cc(S(=O)(=O)NC[C@H](O)Cc2ccccc2)cn1 ZINC000089309910 395709908 /nfs/dbraw/zinc/70/99/08/395709908.db2.gz XCHYDHZVJFKDGF-CYBMUJFWSA-N 0 0 309.391 0.785 50 0 DCAARN COc1ccc(S(=O)(=O)NCc2cnn(C)c2)c2nonc21 ZINC000032579215 395711595 /nfs/dbraw/zinc/71/15/95/395711595.db2.gz SXWMPTBFJNBFHV-UHFFFAOYSA-N 0 0 323.334 0.443 50 0 DCAARN CCS(=O)(=O)N1CCC(Nc2cc(Cl)nc(N)n2)CC1 ZINC000032779229 395713205 /nfs/dbraw/zinc/71/32/05/395713205.db2.gz SWLSBFMWGIIAKI-UHFFFAOYSA-N 0 0 319.818 0.938 50 0 DCAARN CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(NC(=O)COC)cc1 ZINC000032771662 395713429 /nfs/dbraw/zinc/71/34/29/395713429.db2.gz CRLWZJVIVYFTRX-SNVBAGLBSA-N 0 0 322.365 0.918 50 0 DCAARN C[C@@H](NCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1F ZINC000032811066 395713666 /nfs/dbraw/zinc/71/36/66/395713666.db2.gz XZXJSMUNNTZUDI-MNOVXSKESA-N 0 0 314.382 0.780 50 0 DCAARN CCCCN(C)S(=O)(=O)NCC(C)(C)N1CCOCC1 ZINC000032825632 395713915 /nfs/dbraw/zinc/71/39/15/395713915.db2.gz UMXJLQIPTRPUKT-UHFFFAOYSA-N 0 0 307.460 0.664 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)Nc2nnc(C)s2)CC1 ZINC000089740820 395714471 /nfs/dbraw/zinc/71/44/71/395714471.db2.gz BIIPRYBSEUAQOJ-UHFFFAOYSA-N 0 0 312.399 0.178 50 0 DCAARN O=C(Cn1cccnc1=O)NCCc1ccc2c(c1)OCCO2 ZINC000032980840 395715266 /nfs/dbraw/zinc/71/52/66/395715266.db2.gz HZEXSMCQBLQRLM-UHFFFAOYSA-N 0 0 315.329 0.373 50 0 DCAARN O=C(NC1CCCCC1)c1[nH]cnc1C(=O)N1CC[C@@H](O)C1 ZINC000033003782 395715696 /nfs/dbraw/zinc/71/56/96/395715696.db2.gz OJHXRCWZPPHIHT-LLVKDONJSA-N 0 0 306.366 0.679 50 0 DCAARN O=C(Cn1nnc2ccccc2c1=O)N1CCOC[C@H]1C1CC1 ZINC000089866529 395715818 /nfs/dbraw/zinc/71/58/18/395715818.db2.gz LWEGLPIVHPQBTO-AWEZNQCLSA-N 0 0 314.345 0.429 50 0 DCAARN CC(=O)N1CCN(C(=O)CNC(=O)c2ccc(C)c(C)c2)CC1 ZINC000033023653 395716033 /nfs/dbraw/zinc/71/60/33/395716033.db2.gz NWFKMCQZJSWUMJ-UHFFFAOYSA-N 0 0 317.389 0.724 50 0 DCAARN C[C@@H]1c2cccn2CCN1C(=O)CNC(=O)C1CCOCC1 ZINC000089941531 395717090 /nfs/dbraw/zinc/71/70/90/395717090.db2.gz XYYWPSDMIFOQII-GFCCVEGCSA-N 0 0 305.378 0.934 50 0 DCAARN CCOC(=O)C(=O)NC[C@H](c1cccnc1)N1CCOCC1 ZINC000036096864 395721802 /nfs/dbraw/zinc/72/18/02/395721802.db2.gz PVFGGWOACNZHNW-CYBMUJFWSA-N 0 0 307.350 0.134 50 0 DCAARN C[C@@H](c1ccccc1)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000036447639 395723166 /nfs/dbraw/zinc/72/31/66/395723166.db2.gz QJXCRKWVKDHAMG-JSGCOSHPSA-N 0 0 310.419 0.983 50 0 DCAARN CC(=O)N1CCN(C(=O)C(=O)Nc2cccc3[nH]ccc32)CC1 ZINC000036360038 395723281 /nfs/dbraw/zinc/72/32/81/395723281.db2.gz BAQZORGUXUREFT-UHFFFAOYSA-N 0 0 314.345 0.797 50 0 DCAARN O=C(CNC(=O)N[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1 ZINC000036358877 395723444 /nfs/dbraw/zinc/72/34/44/395723444.db2.gz SYOWMEKTDROWDL-LLVKDONJSA-N 0 0 311.363 0.111 50 0 DCAARN COc1ccccc1C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000036391131 395723461 /nfs/dbraw/zinc/72/34/61/395723461.db2.gz ZSXPKFHWWIICPJ-UHFFFAOYSA-N 0 0 312.391 0.849 50 0 DCAARN COC[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000027334163 395694810 /nfs/dbraw/zinc/69/48/10/395694810.db2.gz FGRUKLCFTQOSSI-GFCCVEGCSA-N 0 0 308.382 0.752 50 0 DCAARN Cc1nn(CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1Cl ZINC000027981909 395695492 /nfs/dbraw/zinc/69/54/92/395695492.db2.gz PSZQGKLFBBGPMM-VIFPVBQESA-N 0 0 305.787 0.457 50 0 DCAARN CC[C@@H]1CN(C(=O)C2(C(=O)NC)CCC2)CCN1CCOC ZINC000084736486 395698633 /nfs/dbraw/zinc/69/86/33/395698633.db2.gz FYOGXOVVZCCTDD-CYBMUJFWSA-N 0 0 311.426 0.472 50 0 DCAARN CCS(=O)(=O)NCCN1CCN(c2ccccc2F)CC1 ZINC000038590862 395732202 /nfs/dbraw/zinc/73/22/02/395732202.db2.gz HDKKDHOJYQHZDF-UHFFFAOYSA-N 0 0 315.414 0.887 50 0 DCAARN COc1ccccc1CNC(=O)[C@@H](C)N1CCN(C(C)=O)CC1 ZINC000037191892 395726246 /nfs/dbraw/zinc/72/62/46/395726246.db2.gz VVBFWDGYBFSSJC-CYBMUJFWSA-N 0 0 319.405 0.864 50 0 DCAARN CN(CC(N)=O)S(=O)(=O)c1ccccc1Br ZINC000037408616 395726640 /nfs/dbraw/zinc/72/66/40/395726640.db2.gz NEFQWRGLRNXGHG-UHFFFAOYSA-N 0 0 307.169 0.555 50 0 DCAARN O=C([C@@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCNC(=O)C1 ZINC000040553369 395734441 /nfs/dbraw/zinc/73/44/41/395734441.db2.gz NNTHXWDPFWUNOB-SNVBAGLBSA-N 0 0 323.784 0.305 50 0 DCAARN CC[C@H](O)Cn1nc(CC(N)=O)nc1Cc1sc(C)nc1C ZINC000096180146 395746762 /nfs/dbraw/zinc/74/67/62/395746762.db2.gz JNMOTQASDNJLID-JTQLQIEISA-N 0 0 323.422 0.741 50 0 DCAARN Cc1ccc([C@@H]2[C@H](C(=O)N3CCOCC3)OCC(=O)N2C)cc1 ZINC000096181461 395746913 /nfs/dbraw/zinc/74/69/13/395746913.db2.gz BQOHJENQHZENCE-HZPDHXFCSA-N 0 0 318.373 0.752 50 0 DCAARN CCn1nc(C)c2nnn(CC(=O)NCc3ccco3)c(=O)c21 ZINC000096182583 395747586 /nfs/dbraw/zinc/74/75/86/395747586.db2.gz LDRKZFBEANHRLP-UHFFFAOYSA-N 0 0 316.321 0.226 50 0 DCAARN Cn1nnnc1COc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000096101380 395744443 /nfs/dbraw/zinc/74/44/43/395744443.db2.gz XQOXHVFYHLVRAX-LLVKDONJSA-N 0 0 317.349 0.698 50 0 DCAARN CS(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C(=O)[O-])C1 ZINC000096149443 395746161 /nfs/dbraw/zinc/74/61/61/395746161.db2.gz OVCHXJDMQOKOTM-UKRRQHHQSA-N 0 0 324.402 0.465 50 0 DCAARN COCC[N@@H+]1C[C@@H]2CN(Cc3cscn3)C[C@]2(C(=O)[O-])C1 ZINC000096151245 395746236 /nfs/dbraw/zinc/74/62/36/395746236.db2.gz BITLWKZXZMTFTH-BXUZGUMPSA-N 0 0 311.407 0.608 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)/C=C\c2ccc3c(c2)OCCO3)C1 ZINC000096295871 395752347 /nfs/dbraw/zinc/75/23/47/395752347.db2.gz SZJBUQINAAQNGL-QQHVMHFCSA-N 0 0 302.330 0.805 50 0 DCAARN O=C(NC[C@@H](O)C(F)(F)F)c1cc(-n2cccn2)ccn1 ZINC000096450025 395753135 /nfs/dbraw/zinc/75/31/35/395753135.db2.gz OGMGUWTUFKQCGU-SNVBAGLBSA-N 0 0 300.240 0.920 50 0 DCAARN CN(CCNS(C)(=O)=O)c1cncc(Br)c1 ZINC000096429506 395753325 /nfs/dbraw/zinc/75/33/25/395753325.db2.gz SETQZAMRRJGVDJ-UHFFFAOYSA-N 0 0 308.201 0.830 50 0 DCAARN CCN(CCO)c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC000096453167 395753790 /nfs/dbraw/zinc/75/37/90/395753790.db2.gz LXBFDLBPCJKALM-UHFFFAOYSA-N 0 0 306.414 0.891 50 0 DCAARN CCS(=O)(=O)NCC(=O)N[C@]1(C)CCc2ccccc2C1 ZINC000096485402 395753796 /nfs/dbraw/zinc/75/37/96/395753796.db2.gz LDBJFZJMFNVPOE-OAHLLOKOSA-N 0 0 310.419 0.990 50 0 DCAARN CC1(C)CN(CC(F)(F)F)CCN1CC(=O)N1CCOCC1 ZINC000096492550 395754435 /nfs/dbraw/zinc/75/44/35/395754435.db2.gz XVSSUDNATXZLGR-UHFFFAOYSA-N 0 0 323.359 0.804 50 0 DCAARN COCCNC(=O)C(=O)NCC1CCN(c2ccccn2)CC1 ZINC000043941335 395754993 /nfs/dbraw/zinc/75/49/93/395754993.db2.gz SGTBMLDODMOUAT-UHFFFAOYSA-N 0 0 320.393 0.177 50 0 DCAARN CC(C)c1nnc2n1C[C@H](NC(=O)C1=NN(C)C(=O)CC1)CC2 ZINC000097198687 395755554 /nfs/dbraw/zinc/75/55/54/395755554.db2.gz PFANSJOQSFMOCY-SNVBAGLBSA-N 0 0 318.381 0.441 50 0 DCAARN CC(C)C(=O)N1CCN(c2ncnc3c2cnn3CCO)CC1 ZINC000097200262 395755659 /nfs/dbraw/zinc/75/56/59/395755659.db2.gz KOBODUQWHVWNEE-UHFFFAOYSA-N 0 0 318.381 0.123 50 0 DCAARN O=S(=O)(NCCN1CCn2ccnc2C1)c1ccccc1 ZINC000097201139 395756121 /nfs/dbraw/zinc/75/61/21/395756121.db2.gz UXGCMIIQGDNMOP-UHFFFAOYSA-N 0 0 306.391 0.677 50 0 DCAARN CN(CC(=O)N1CC[NH2+]C[C@@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000097468142 395758090 /nfs/dbraw/zinc/75/80/90/395758090.db2.gz FFECGLQKONRYOG-CQSZACIVSA-N 0 0 305.378 0.251 50 0 DCAARN Cn1nnc(-c2ccc(OCC(=O)NCc3ccccn3)cc2)n1 ZINC000096232755 395751047 /nfs/dbraw/zinc/75/10/47/395751047.db2.gz NPGMJCQDVXUNJV-UHFFFAOYSA-N 0 0 324.344 0.967 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000046885527 395782197 /nfs/dbraw/zinc/78/21/97/395782197.db2.gz ZCRKRWORLXDBDW-LLVKDONJSA-N 0 0 319.361 0.468 50 0 DCAARN Cc1csc(=O)n1CCC(=O)N[C@@H](C)CN1CCOCC1 ZINC000046888816 395782380 /nfs/dbraw/zinc/78/23/80/395782380.db2.gz AVWFRAHTBRZSIG-NSHDSACASA-N 0 0 313.423 0.445 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)Cn1ccc(C(F)(F)F)n1 ZINC000046884970 395782396 /nfs/dbraw/zinc/78/23/96/395782396.db2.gz OMQMVLFVLHCSRS-SNVBAGLBSA-N 0 0 320.315 0.739 50 0 DCAARN C[C@@H]1CN(CCN(C)S(=O)(=O)c2cccnc2)C[C@H](C)O1 ZINC000194024701 395786166 /nfs/dbraw/zinc/78/61/66/395786166.db2.gz RDSZKPHGRQYGSJ-BETUJISGSA-N 0 0 313.423 0.811 50 0 DCAARN Cc1c[nH]c(CN2CCN(C(=O)CC3CCC3)C[C@H](O)C2)n1 ZINC000097572257 395759516 /nfs/dbraw/zinc/75/95/16/395759516.db2.gz AFCROVBLRJWERG-CQSZACIVSA-N 0 0 306.410 0.913 50 0 DCAARN Cc1c[nH]c(CN2CCN(C(=O)c3ccc[nH]3)C[C@@H](O)C2)n1 ZINC000097681793 395760048 /nfs/dbraw/zinc/76/00/48/395760048.db2.gz PGNGRTGGRCIERS-LBPRGKRZSA-N 0 0 303.366 0.365 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)N1CCN(c2cnccn2)CC1 ZINC000044969568 395760199 /nfs/dbraw/zinc/76/01/99/395760199.db2.gz VMULJRBBTLGCDL-CYBMUJFWSA-N 0 0 315.381 0.593 50 0 DCAARN CC(C)CNC(=O)CNc1c(=O)c(=O)c1NCc1ccccn1 ZINC000101693373 395766668 /nfs/dbraw/zinc/76/66/68/395766668.db2.gz GPQPUNGWNJZBJF-UHFFFAOYSA-N 0 0 316.361 0.474 50 0 DCAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCCn1cccn1)CS2 ZINC000045936224 395768589 /nfs/dbraw/zinc/76/85/89/395768589.db2.gz GSWVBXSZXAXAGA-BXUZGUMPSA-N 0 0 308.407 0.843 50 0 DCAARN COCCn1c(C)c(C)nc1SCc1nc(N)nc(N)n1 ZINC000046028817 395769640 /nfs/dbraw/zinc/76/96/40/395769640.db2.gz RVDDDZJQAVOSPW-UHFFFAOYSA-N 0 0 309.399 0.788 50 0 DCAARN O=C(c1ccc(=O)[nH]n1)N1CC(c2nc(-c3ccccn3)no2)C1 ZINC000049031938 395827328 /nfs/dbraw/zinc/82/73/28/395827328.db2.gz OXRBXNIYJGZLRH-UHFFFAOYSA-N 0 0 324.300 0.867 50 0 DCAARN Cc1nnc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000049338420 395831101 /nfs/dbraw/zinc/83/11/01/395831101.db2.gz XUNQXDNEFQOZHI-QMMMGPOBSA-N 0 0 319.412 0.392 50 0 DCAARN CN(C)c1cncc(O[C@H]2CCN(C(=O)c3ncccn3)C2)n1 ZINC000225406213 395860094 /nfs/dbraw/zinc/86/00/94/395860094.db2.gz BFNVLCFINFGGNB-NSHDSACASA-N 0 0 314.349 0.626 50 0 DCAARN O=C1CN(CCc2ccccc2)C(=O)N1[C@H]1CCS(=O)(=O)C1 ZINC000225450309 395860663 /nfs/dbraw/zinc/86/06/63/395860663.db2.gz HXBAPTRBLTXTRC-ZDUSSCGKSA-N 0 0 322.386 0.680 50 0 DCAARN O=C(CCn1cncn1)N[C@@H]1COCC[C@H]1Oc1ccccn1 ZINC000219336917 395845539 /nfs/dbraw/zinc/84/55/39/395845539.db2.gz KWFDQXKEXAPOSD-CHWSQXEVSA-N 0 0 317.349 0.416 50 0 DCAARN CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1cccnc1N(C)C ZINC000219330727 395845545 /nfs/dbraw/zinc/84/55/45/395845545.db2.gz YJKQVEBOCZCLPP-YXCITZCRSA-N 0 0 318.377 0.169 50 0 DCAARN Cc1nc(SCCNC(=O)C[C@H]2C=CS(=O)(=O)C2)n[nH]1 ZINC000219473752 395845547 /nfs/dbraw/zinc/84/55/47/395845547.db2.gz HTFXDZJNDBNQDC-SECBINFHSA-N 0 0 316.408 0.270 50 0 DCAARN Cc1cc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)c(C)n1C ZINC000219925522 395847009 /nfs/dbraw/zinc/84/70/09/395847009.db2.gz VELPZQCBSZHKPZ-UHFFFAOYSA-N 0 0 302.382 0.718 50 0 DCAARN CSc1ncc(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)cn1 ZINC000219913679 395847135 /nfs/dbraw/zinc/84/71/35/395847135.db2.gz YUPUNYVGRBSTMU-CYBMUJFWSA-N 0 0 308.363 0.865 50 0 DCAARN Cc1ccc(O[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)nn1 ZINC000225465343 395860783 /nfs/dbraw/zinc/86/07/83/395860783.db2.gz UMEMUEZKOPDATC-QWHCGFSZSA-N 0 0 318.377 0.633 50 0 DCAARN Cc1nnnn1CCC(=O)NCc1nc(C)c2c(n1)CCCC2 ZINC000220134607 395847739 /nfs/dbraw/zinc/84/77/39/395847739.db2.gz FWJIPODLWYSKDU-UHFFFAOYSA-N 0 0 315.381 0.665 50 0 DCAARN C[C@H](NS(C)(=O)=O)C(=O)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000220348254 395847792 /nfs/dbraw/zinc/84/77/92/395847792.db2.gz ZFXBZKAZNAZJMS-VIFPVBQESA-N 0 0 322.390 0.426 50 0 DCAARN COc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1C ZINC000220275331 395847927 /nfs/dbraw/zinc/84/79/27/395847927.db2.gz JPIHZRNJQKJHFW-GJZGRUSLSA-N 0 0 320.389 0.521 50 0 DCAARN COc1ccnc(N2CCCn3nc([C@H](O)CO)cc3C2)n1 ZINC000220250309 395848012 /nfs/dbraw/zinc/84/80/12/395848012.db2.gz BAMPSMFPEUCQOH-GFCCVEGCSA-N 0 0 305.338 0.118 50 0 DCAARN CCc1c(C)nn(CCNC(=O)Cn2nc(C)cc2N)c1C ZINC000220331384 395848040 /nfs/dbraw/zinc/84/80/40/395848040.db2.gz KPNYMRLDXOSCGP-UHFFFAOYSA-N 0 0 304.398 0.966 50 0 DCAARN CC[C@@H](O)c1cc2n(n1)CCN(c1cc(OC)nc(N)n1)C2 ZINC000220584988 395848375 /nfs/dbraw/zinc/84/83/75/395848375.db2.gz ARGHJVWMGQPUQJ-LLVKDONJSA-N 0 0 304.354 0.728 50 0 DCAARN CC(C)Cc1cc(C(=O)NCCCn2cncn2)nc(N)n1 ZINC000220462451 395848558 /nfs/dbraw/zinc/84/85/58/395848558.db2.gz PTRZWJALXMAFLO-UHFFFAOYSA-N 0 0 303.370 0.669 50 0 DCAARN Nc1cc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)[nH]n1 ZINC000220535401 395848934 /nfs/dbraw/zinc/84/89/34/395848934.db2.gz LNQZXAIKALTBKZ-GHMZBOCLSA-N 0 0 303.322 0.353 50 0 DCAARN O=C(CN1CCOCC1)N1CCCN(Cc2cccnc2)CC1 ZINC000220685053 395849763 /nfs/dbraw/zinc/84/97/63/395849763.db2.gz LOKLNKNUDMFIBO-UHFFFAOYSA-N 0 0 318.421 0.448 50 0 DCAARN Cn1ccc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1=O ZINC000051506706 395851498 /nfs/dbraw/zinc/85/14/98/395851498.db2.gz JXESHCZZJSYKOX-AWEZNQCLSA-N 0 0 305.378 0.209 50 0 DCAARN CC(C)C(=O)N1CCN(CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000051594011 395852163 /nfs/dbraw/zinc/85/21/63/395852163.db2.gz COSCDNGSSRRXBS-UHFFFAOYSA-N 0 0 324.425 0.507 50 0 DCAARN COC[C@H](NC(=O)c1ccc2n[nH]nc2c1)c1ccnn1C ZINC000223036818 395853734 /nfs/dbraw/zinc/85/37/34/395853734.db2.gz HZXIEAQXIRNGHL-LBPRGKRZSA-N 0 0 300.322 0.809 50 0 DCAARN O=C(CCn1cnnn1)N[C@H]1[C@@H](C2CCCC2)[C@H]2OCC[C@@H]12 ZINC000223178868 395854013 /nfs/dbraw/zinc/85/40/13/395854013.db2.gz QCSUNLSSOUJWQV-MYPMTAMASA-N 0 0 305.382 0.773 50 0 DCAARN CC(=O)c1c(C)nn(CC(=O)NCCN2CCCOC2=O)c1C ZINC000223402692 395854813 /nfs/dbraw/zinc/85/48/13/395854813.db2.gz CLSYNWDXSSONQV-UHFFFAOYSA-N 0 0 322.365 0.661 50 0 DCAARN Cc1n[nH]c(C)c1CC(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 ZINC000223392157 395854977 /nfs/dbraw/zinc/85/49/77/395854977.db2.gz PMTSLONDZQBLSI-GHJWDPDVSA-N 0 0 317.393 0.931 50 0 DCAARN Cc1cnn(Cc2cc(C(=O)N(CCO)CC(F)F)no2)c1 ZINC000194406242 395796314 /nfs/dbraw/zinc/79/63/14/395796314.db2.gz LQXMFRQFSKBBAS-UHFFFAOYSA-N 0 0 314.292 0.927 50 0 DCAARN C[C@@H]1CS(=O)(=O)CCN1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000110611177 395801230 /nfs/dbraw/zinc/80/12/30/395801230.db2.gz PYLNAPPSWBGXTA-RWMBFGLXSA-N 0 0 302.440 0.895 50 0 DCAARN CN(C)c1nc(N)nc(CN2CCN(Cc3ccco3)CC2)n1 ZINC000053813813 395889796 /nfs/dbraw/zinc/88/97/96/395889796.db2.gz VBEWDZUTASXIEP-UHFFFAOYSA-N 0 0 317.397 0.431 50 0 DCAARN Cc1noc2nc(C)cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c12 ZINC000054400486 395900084 /nfs/dbraw/zinc/90/00/84/395900084.db2.gz HEAALYLDZJZOBK-VIFPVBQESA-N 0 0 309.347 0.757 50 0 DCAARN CCC1(CO)CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000124330001 395900344 /nfs/dbraw/zinc/90/03/44/395900344.db2.gz YXDPKUIYZAQHPU-KGLIPLIRSA-N 0 0 313.442 0.900 50 0 DCAARN O=C(CN1CCCN(C(=O)c2ccoc2)CC1)N1CCOCC1 ZINC000055060101 395910618 /nfs/dbraw/zinc/91/06/18/395910618.db2.gz MRJRGPYMEMBBCR-UHFFFAOYSA-N 0 0 321.377 0.286 50 0 DCAARN CN1CCN(C(=O)Cn2nc(-c3cccs3)oc2=O)CC1 ZINC000055169282 395912918 /nfs/dbraw/zinc/91/29/18/395912918.db2.gz VLZPTCAONQEOLC-UHFFFAOYSA-N 0 0 308.363 0.339 50 0 DCAARN CC(=O)N1CCCN(C(=O)c2ccc(-n3cncn3)cc2)CC1 ZINC000055198981 395913639 /nfs/dbraw/zinc/91/36/39/395913639.db2.gz QQHHEQLBRALLMR-UHFFFAOYSA-N 0 0 313.361 0.962 50 0 DCAARN C[C@H](NC(=O)CCNC(=O)c1ccccc1F)c1nc[nH]n1 ZINC000055271290 395915675 /nfs/dbraw/zinc/91/56/75/395915675.db2.gz NFNUXAFCMJMVNT-VIFPVBQESA-N 0 0 305.313 0.941 50 0 DCAARN CN1N=C(C(=O)N2CCN(Cc3cscn3)CC2)CCC1=O ZINC000055436645 395918867 /nfs/dbraw/zinc/91/88/67/395918867.db2.gz RGOYLKQVSZADBC-UHFFFAOYSA-N 0 0 321.406 0.396 50 0 DCAARN CC(C)Oc1ccccc1CN1CCN(S(N)(=O)=O)CC1 ZINC000055900981 395923316 /nfs/dbraw/zinc/92/33/16/395923316.db2.gz JAKUQRGSOHVHDB-UHFFFAOYSA-N 0 0 313.423 0.795 50 0 DCAARN CN1CC[NH+](CCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000244811477 395925114 /nfs/dbraw/zinc/92/51/14/395925114.db2.gz SDLMEPRJBHRDMP-HNNXBMFYSA-N 0 0 319.405 0.956 50 0 DCAARN Cc1nn(C)cc1C(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 ZINC000244852910 395925442 /nfs/dbraw/zinc/92/54/42/395925442.db2.gz VBNMYOVJYVIWBF-SUHUHFCYSA-N 0 0 303.366 0.704 50 0 DCAARN CC[C@@H](NS(=O)(=O)c1cccc2c1nnn2C)[C@H]1C[C@H](O)C1 ZINC000244874709 395925904 /nfs/dbraw/zinc/92/59/04/395925904.db2.gz XFYIPYDQDSPGJS-GMTAPVOTSA-N 0 0 324.406 0.796 50 0 DCAARN O=C(CCN1CCN(c2nc[nH]n2)CC1)Nc1nccs1 ZINC000244900249 395926900 /nfs/dbraw/zinc/92/69/00/395926900.db2.gz ZYNWEQWKUKYNCA-UHFFFAOYSA-N 0 0 307.383 0.412 50 0 DCAARN O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](N2C(=O)COC2=O)C1 ZINC000225699369 395862230 /nfs/dbraw/zinc/86/22/30/395862230.db2.gz KKJBHCPPTBBRGD-SNVBAGLBSA-N 0 0 318.285 0.609 50 0 DCAARN Cc1cc(N2CC[C@H](C(N)=O)C2)n2nc(C(F)(F)F)nc2n1 ZINC000052393901 395863539 /nfs/dbraw/zinc/86/35/39/395863539.db2.gz MIZCGUSNRAZDIY-ZETCQYMHSA-N 0 0 314.271 0.763 50 0 DCAARN O=C(NCc1nc(-c2cc[nH]c(=O)c2)no1)c1ccc(=O)[nH]c1 ZINC000225800605 395863821 /nfs/dbraw/zinc/86/38/21/395863821.db2.gz DMMOARVKYHWZQL-UHFFFAOYSA-N 0 0 313.273 0.043 50 0 DCAARN COc1ccnc(N2CCN(Cc3nnc(C)s3)CC2)n1 ZINC000271470493 395867768 /nfs/dbraw/zinc/86/77/68/395867768.db2.gz VRNDZTSVUTYEBH-UHFFFAOYSA-N 0 0 306.395 0.967 50 0 DCAARN O=C(CN1CCNC(=O)C[C@@H]1c1ccccc1)N1CCOCC1 ZINC000052834116 395871074 /nfs/dbraw/zinc/87/10/74/395871074.db2.gz SFIVDOYUMNWMLJ-OAHLLOKOSA-N 0 0 317.389 0.408 50 0 DCAARN O[C@H](CN1CCO[C@@H](Cn2cncn2)C1)c1ccc(F)c(F)c1 ZINC000229499252 395874648 /nfs/dbraw/zinc/87/46/48/395874648.db2.gz HIGJVYURWLLGRM-IUODEOHRSA-N 0 0 324.331 0.991 50 0 DCAARN C[C@H](Cn1cccn1)NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000229594294 395875324 /nfs/dbraw/zinc/87/53/24/395875324.db2.gz QFZSWKZZCVWCJR-WOPDTQHZSA-N 0 0 302.400 0.215 50 0 DCAARN CCN(CC)C(=O)CN(C)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000229663185 395875913 /nfs/dbraw/zinc/87/59/13/395875913.db2.gz KARRNGHQTHVHSG-GFCCVEGCSA-N 0 0 305.444 0.763 50 0 DCAARN CNS(=O)(=O)CC(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000274330189 395939679 /nfs/dbraw/zinc/93/96/79/395939679.db2.gz CSVWXUMMWDZRHP-SECBINFHSA-N 0 0 308.359 0.643 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCN(c3ncccn3)CC2)no1 ZINC000057752314 395947833 /nfs/dbraw/zinc/94/78/33/395947833.db2.gz WTEQOLXZNSGRAC-LBPRGKRZSA-N 0 0 316.365 0.922 50 0 DCAARN CS(=O)(=O)Cc1ccccc1NCC(=O)N1CCOCC1 ZINC000058427230 395953118 /nfs/dbraw/zinc/95/31/18/395953118.db2.gz FUUYAKBSLCIGHV-UHFFFAOYSA-N 0 0 312.391 0.502 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000058368887 395953236 /nfs/dbraw/zinc/95/32/36/395953236.db2.gz QDBADEJUUGZRCA-LBPRGKRZSA-N 0 0 324.425 0.555 50 0 DCAARN CCOC(=O)CNC(=O)NCc1ccc2c(c1)CCN2C(C)=O ZINC000064968918 395990014 /nfs/dbraw/zinc/99/00/14/395990014.db2.gz BNUZNCNVBZDNAS-UHFFFAOYSA-N 0 0 319.361 0.958 50 0 DCAARN CN(C)C(=O)c1nc2c(cnn2C)c(N2CCSCC2)n1 ZINC000065257216 395991593 /nfs/dbraw/zinc/99/15/93/395991593.db2.gz CDWYUTIZFWIOEG-UHFFFAOYSA-N 0 0 306.395 0.618 50 0 DCAARN CCCOc1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cn1 ZINC000065267555 395991929 /nfs/dbraw/zinc/99/19/29/395991929.db2.gz VONBJVMXIPVTCT-ZDUSSCGKSA-N 0 0 313.423 0.994 50 0 DCAARN Cc1cc(=O)n(CCN2CCOCC2)c(N2CCSCC2)n1 ZINC000065307439 395991997 /nfs/dbraw/zinc/99/19/97/395991997.db2.gz RQHCGZZAVYTHPQ-UHFFFAOYSA-N 0 0 324.450 0.437 50 0 DCAARN COCc1cc(=O)n(CC(=O)Nc2ccccc2C)c(N)n1 ZINC000065310945 395992282 /nfs/dbraw/zinc/99/22/82/395992282.db2.gz WKQFWQUZFFSTMD-UHFFFAOYSA-N 0 0 302.334 0.919 50 0 DCAARN CCS(=O)(=O)c1ccc(N2CCN(CCO)[C@H](C)C2)cc1 ZINC000252527765 396022471 /nfs/dbraw/zinc/02/24/71/396022471.db2.gz DHVHZRQIMDTHHD-CYBMUJFWSA-N 0 0 312.435 0.983 50 0 DCAARN O=C(c1c[nH]c(=O)[nH]1)N1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000252512192 396022488 /nfs/dbraw/zinc/02/24/88/396022488.db2.gz NYYXFVXMWCMYAN-PJXYFTJBSA-N 0 0 318.377 0.424 50 0 DCAARN CC[C@@H](C)[C@H](CO)NC(=O)CCc1c(C)nc2[nH]cnn2c1=O ZINC000252538773 396022889 /nfs/dbraw/zinc/02/28/89/396022889.db2.gz NHOTUDZRAPVMNX-SKDRFNHKSA-N 0 0 321.381 0.594 50 0 DCAARN CN(C)C(=O)[C@H]1CCCN1C(=O)COCC(F)(F)C(F)F ZINC000067447126 396026179 /nfs/dbraw/zinc/02/61/79/396026179.db2.gz OKMJBQMYUFKFOL-MRVPVSSYSA-N 0 0 314.279 0.983 50 0 DCAARN COCC(=O)N[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1CO ZINC000253401814 396027051 /nfs/dbraw/zinc/02/70/51/396027051.db2.gz FWCWNTOTRHKVHJ-GXTWGEPZSA-N 0 0 312.797 0.895 50 0 DCAARN CSC1(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000253421577 396027885 /nfs/dbraw/zinc/02/78/85/396027885.db2.gz YLNNBJFEIOCRTC-NSHDSACASA-N 0 0 318.464 0.909 50 0 DCAARN COc1cc(N[C@H]2CCCN(S(N)(=O)=O)C2)cc(OC)c1 ZINC000253428127 396028594 /nfs/dbraw/zinc/02/85/94/396028594.db2.gz HIHLCHFCCSTQSB-JTQLQIEISA-N 0 0 315.395 0.784 50 0 DCAARN CCc1nc(C(C)(C)NC(=O)CCS(=O)(=O)N(C)C)no1 ZINC000253430484 396028977 /nfs/dbraw/zinc/02/89/77/396028977.db2.gz WMIUURBUUCFQFG-UHFFFAOYSA-N 0 0 318.399 0.265 50 0 DCAARN Cn1c(=O)[nH]c(=O)c2nc(C[C@H](O)c3ccco3)c(=O)[nH]c21 ZINC000253536266 396029769 /nfs/dbraw/zinc/02/97/69/396029769.db2.gz OCZOEKZPPNLGBS-ZETCQYMHSA-N 0 0 304.262 0.004 50 0 DCAARN CN(C)S(=O)(=O)CCNC(=O)c1cccc2nccnc21 ZINC000067697093 396030591 /nfs/dbraw/zinc/03/05/91/396030591.db2.gz OPGYBINDJBHWHS-UHFFFAOYSA-N 0 0 308.363 0.251 50 0 DCAARN Cc1nc(SCCNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)n[nH]1 ZINC000067691556 396031091 /nfs/dbraw/zinc/03/10/91/396031091.db2.gz QQDLRHLMUZHPEE-UHFFFAOYSA-N 0 0 318.362 0.805 50 0 DCAARN Cc1cccc(=O)n1CCCNC(=O)C1=C(C)NC(=O)N[C@H]1C ZINC000067713180 396031896 /nfs/dbraw/zinc/03/18/96/396031896.db2.gz QKQONQBSGCNWRV-NSHDSACASA-N 0 0 318.377 0.638 50 0 DCAARN CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N=c1sccn1C ZINC000254855630 396032261 /nfs/dbraw/zinc/03/22/61/396032261.db2.gz UFFDOITUDDMWBK-RKDXNWHRSA-N 0 0 305.425 0.478 50 0 DCAARN CCN1CCN(Cc2cc(C(=O)N(C)C[C@H](C)O)no2)CC1 ZINC000067805232 396034169 /nfs/dbraw/zinc/03/41/69/396034169.db2.gz XKBZBICWNHWOJG-LBPRGKRZSA-N 0 0 310.398 0.265 50 0 DCAARN COCCOCC(=O)N1CCCCCNC(=O)[C@@H]2CCC[C@@H]21 ZINC000257183340 396034311 /nfs/dbraw/zinc/03/43/11/396034311.db2.gz HJYAPKZRYVBSKA-KGLIPLIRSA-N 0 0 312.410 0.947 50 0 DCAARN CNC(=O)[C@H]1C[C@H](Oc2cccnc2)CN1C(=O)NC(C)C ZINC000257186864 396035177 /nfs/dbraw/zinc/03/51/77/396035177.db2.gz KVPXCXZUSIZCAL-QWHCGFSZSA-N 0 0 306.366 0.767 50 0 DCAARN Cc1cc(C)n(CCNC(=O)c2ccc3n[nH]nc3c2)c(=O)n1 ZINC000067909051 396038524 /nfs/dbraw/zinc/03/85/24/396038524.db2.gz CBRNLKLCVRVTBW-UHFFFAOYSA-N 0 0 312.333 0.561 50 0 DCAARN O=C(CCN1CCCCCC1=O)N1Cc2cnn(CCO)c2C1 ZINC000067910230 396038926 /nfs/dbraw/zinc/03/89/26/396038926.db2.gz UZIFHPUOAATGNW-UHFFFAOYSA-N 0 0 320.393 0.510 50 0 DCAARN CNC(=O)[C@H](C)NC(=O)c1cc(COc2cccc(F)c2)n[nH]1 ZINC000067966582 396040294 /nfs/dbraw/zinc/04/02/94/396040294.db2.gz XRLFAJKTMNZQRD-VIFPVBQESA-N 0 0 320.324 0.992 50 0 DCAARN CCn1ccnc1CN1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000257366164 396046919 /nfs/dbraw/zinc/04/69/19/396046919.db2.gz LYXQXWBKSXYBJK-NHYWBVRUSA-N 0 0 305.382 0.713 50 0 DCAARN Cn1ccsc1=NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000252452407 396019795 /nfs/dbraw/zinc/01/97/95/396019795.db2.gz GXPZYJLLENAMCM-QWRGUYRKSA-N 0 0 319.386 0.855 50 0 DCAARN CC(=O)N1CC[C@@H](NC(=O)c2ccc(Cl)cc2O)[C@H](O)C1 ZINC000252483306 396019984 /nfs/dbraw/zinc/01/99/84/396019984.db2.gz DYUGFVPTISRELM-DGCLKSJQSA-N 0 0 312.753 0.757 50 0 DCAARN Cn1ccsc1=NC(=O)Cn1cnc2sccc2c1=O ZINC000252452289 396020005 /nfs/dbraw/zinc/02/00/05/396020005.db2.gz AUBSWVSJSMQPPR-UHFFFAOYSA-N 0 0 306.372 0.986 50 0 DCAARN CNC(=O)c1[nH]nc2c1CN(CC(=O)Nc1cc(C)on1)CC2 ZINC000252490684 396020872 /nfs/dbraw/zinc/02/08/72/396020872.db2.gz KZAXUBGLJBTFCB-UHFFFAOYSA-N 0 0 318.337 0.063 50 0 DCAARN C[NH+](C)CCOc1ccccc1CN1CCOC[C@@H]1C(=O)[O-] ZINC000252507800 396021558 /nfs/dbraw/zinc/02/15/58/396021558.db2.gz WUBZKGQUEVJHGI-CQSZACIVSA-N 0 0 308.378 0.912 50 0 DCAARN O=C(NCc1cccc2c1OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000069705417 396087629 /nfs/dbraw/zinc/08/76/29/396087629.db2.gz AMJGXCOKGYBYCL-NSHDSACASA-N 0 0 311.359 0.509 50 0 DCAARN COc1cc(C)nc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000069740118 396088514 /nfs/dbraw/zinc/08/85/14/396088514.db2.gz WKKOKVNKPFPKPD-LBPRGKRZSA-N 0 0 306.366 0.621 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000069739780 396088608 /nfs/dbraw/zinc/08/86/08/396088608.db2.gz HDJNIAHUZQBZTA-INIZCTEOSA-N 0 0 324.396 0.910 50 0 DCAARN COCCN1CC[C@@H](N2CCN(C(=O)C3CCCC3)CC2)C1=O ZINC000169750516 396091138 /nfs/dbraw/zinc/09/11/38/396091138.db2.gz GWVMORNPTCXLQG-OAHLLOKOSA-N 0 0 323.437 0.568 50 0 DCAARN CCCCn1nnnc1CN[C@@H]1CCc2nc(CC)nn2C1 ZINC000069819981 396091189 /nfs/dbraw/zinc/09/11/89/396091189.db2.gz FDWLFGWHOGDAFP-LLVKDONJSA-N 0 0 304.402 0.732 50 0 DCAARN Cc1noc(C)c1CC(=O)NC[C@H]1Cn2cccc2C(=O)N1C ZINC000169778811 396092000 /nfs/dbraw/zinc/09/20/00/396092000.db2.gz YXRFETINZROERS-LBPRGKRZSA-N 0 0 316.361 0.906 50 0 DCAARN Cc1n[nH]c(C)c1CNC(=O)[C@H]1Cn2cccc2C(=O)N1C ZINC000169784974 396092519 /nfs/dbraw/zinc/09/25/19/396092519.db2.gz OSQSEYAAOYIVCC-CYBMUJFWSA-N 0 0 301.350 0.599 50 0 DCAARN CN1CCC[C@@H]1c1nc(C2CN(C(=O)c3cnccn3)C2)no1 ZINC000169786784 396092535 /nfs/dbraw/zinc/09/25/35/396092535.db2.gz DQJSHFJRIZZOFP-GFCCVEGCSA-N 0 0 314.349 0.866 50 0 DCAARN Cc1nc(CN(C)CCNS(C)(=O)=O)nc2ccccc12 ZINC000069871802 396092908 /nfs/dbraw/zinc/09/29/08/396092908.db2.gz XLVKZWYNWGSLBM-UHFFFAOYSA-N 0 0 308.407 0.919 50 0 DCAARN COCCN1CCN(CC(=O)N2CCc3ccccc3C2)CC1 ZINC000069873406 396093272 /nfs/dbraw/zinc/09/32/72/396093272.db2.gz NSEGJKOASGWNSV-UHFFFAOYSA-N 0 0 317.433 0.835 50 0 DCAARN COCc1nnc2n1CC[C@H](NC(=O)c1cnn(C)c1)CC2 ZINC000169790353 396093522 /nfs/dbraw/zinc/09/35/22/396093522.db2.gz QNBQKJSMTSWGDJ-LLVKDONJSA-N 0 0 304.354 0.293 50 0 DCAARN Cn1cc([C@@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)cn1 ZINC000069876998 396093593 /nfs/dbraw/zinc/09/35/93/396093593.db2.gz BJZRYEAPUAHGDZ-ZDUSSCGKSA-N 0 0 303.366 0.155 50 0 DCAARN COc1ccc2[nH]c(=O)c(CCC(=O)NCC(N)=O)cc2c1 ZINC000169792979 396093987 /nfs/dbraw/zinc/09/39/87/396093987.db2.gz WNJQDUQWJFZQLF-UHFFFAOYSA-N 0 0 303.318 0.483 50 0 DCAARN C[C@H](OC[C@H]1CCCO1)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000069922881 396095139 /nfs/dbraw/zinc/09/51/39/396095139.db2.gz CYKKRSPCLIYHGC-UONOGXRCSA-N 0 0 314.426 0.486 50 0 DCAARN CCNC(=O)CNC(=O)c1cnc(Br)c(OC)c1 ZINC000170606390 396095175 /nfs/dbraw/zinc/09/51/75/396095175.db2.gz WMJSVFOXXHEFGH-UHFFFAOYSA-N 0 0 316.155 0.719 50 0 DCAARN Cc1cnc(C(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)cn1 ZINC000069929180 396095613 /nfs/dbraw/zinc/09/56/13/396095613.db2.gz SGBGOBMKUZDOQG-CQSZACIVSA-N 0 0 306.410 0.950 50 0 DCAARN COCCOc1cccc(C(=O)N2CCN(C[C@@H](C)O)CC2)c1 ZINC000069947245 396095722 /nfs/dbraw/zinc/09/57/22/396095722.db2.gz ZGDXZPGJVACSDC-CQSZACIVSA-N 0 0 322.405 0.850 50 0 DCAARN CCOc1ccc(C(=O)NCC(=O)N2C[C@@H](C)[C@H](CO)C2)cc1 ZINC000170611627 396096353 /nfs/dbraw/zinc/09/63/53/396096353.db2.gz YWWFBJLQTHCHBF-OCCSQVGLSA-N 0 0 320.389 0.902 50 0 DCAARN COc1ccccc1CN1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000069950402 396096492 /nfs/dbraw/zinc/09/64/92/396096492.db2.gz WGJVOKZBEITSDC-CQSZACIVSA-N 0 0 317.389 0.618 50 0 DCAARN Cc1cc(C)n(-c2ccc(CNC(=O)[C@H](C)NC(N)=O)cn2)n1 ZINC000170651731 396097111 /nfs/dbraw/zinc/09/71/11/396097111.db2.gz LYVGVERNEZGXDW-NSHDSACASA-N 0 0 316.365 0.557 50 0 DCAARN C(Nc1nc2nn[nH]c2c(N2CCOCC2)n1)[C@H]1CCCO1 ZINC000070637487 396102875 /nfs/dbraw/zinc/10/28/75/396102875.db2.gz IWBDVIZJLMQOIJ-SECBINFHSA-N 0 0 305.342 0.175 50 0 DCAARN Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)nc(N2CCOCC2)n1 ZINC000071195521 396110961 /nfs/dbraw/zinc/11/09/61/396110961.db2.gz YVQBIOMJHGVNQK-STQMWFEESA-N 0 0 320.393 0.871 50 0 DCAARN O=C(c1cc2n(n1)CCCN(C(=O)C1CC1)C2)N1CCOCC1 ZINC000071278797 396111667 /nfs/dbraw/zinc/11/16/67/396111667.db2.gz BCTLDWUBJXIDRU-UHFFFAOYSA-N 0 0 318.377 0.498 50 0 DCAARN O=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1ccccn1 ZINC000071282873 396111998 /nfs/dbraw/zinc/11/19/98/396111998.db2.gz FCSIINXAYLRODK-UHFFFAOYSA-N 0 0 315.333 0.114 50 0 DCAARN NC(=O)CN1CCC(NC(=O)CCCOc2ccccc2)CC1 ZINC000071795927 396115549 /nfs/dbraw/zinc/11/55/49/396115549.db2.gz SUDWYZWJMVFULO-UHFFFAOYSA-N 0 0 319.405 0.912 50 0 DCAARN NC(=O)CN1CCCN(C(=O)Nc2nnc(C3CC3)s2)CC1 ZINC000071820794 396116048 /nfs/dbraw/zinc/11/60/48/396116048.db2.gz ZEHJFRXCGNEYRM-UHFFFAOYSA-N 0 0 324.410 0.440 50 0 DCAARN CC(C)COC1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000071821408 396116404 /nfs/dbraw/zinc/11/64/04/396116404.db2.gz MWLMZCSYAFRKRY-UHFFFAOYSA-N 0 0 309.366 0.200 50 0 DCAARN COCC(=O)N1CCN(c2ncc(C(N)=O)cc2Cl)CC1 ZINC000071816326 396116432 /nfs/dbraw/zinc/11/64/32/396116432.db2.gz NOKJUWZRJCLWHD-UHFFFAOYSA-N 0 0 312.757 0.129 50 0 DCAARN CCOc1ccc(C[C@@H](CNC(=O)c2cn[nH]n2)C(N)=O)cc1 ZINC000071841587 396118886 /nfs/dbraw/zinc/11/88/86/396118886.db2.gz CNTWROUEERQUBD-NSHDSACASA-N 0 0 317.349 0.277 50 0 DCAARN Cc1noc(CCCC(=O)N2CCC[C@H](N3CCNC3=O)C2)n1 ZINC000071841692 396118902 /nfs/dbraw/zinc/11/89/02/396118902.db2.gz VJVGJCUGYXMJQQ-LBPRGKRZSA-N 0 0 321.381 0.717 50 0 DCAARN O=C(CN1CCCN(Cc2noc(C3CC3)n2)CC1)N1CCC1 ZINC000071871652 396120782 /nfs/dbraw/zinc/12/07/82/396120782.db2.gz ZWIVNTKTLVZHIX-UHFFFAOYSA-N 0 0 319.409 0.687 50 0 DCAARN CC1(C)NC(=O)N(CCN2CCc3c(ncn3C3CC3)C2)C1=O ZINC000071878901 396122673 /nfs/dbraw/zinc/12/26/73/396122673.db2.gz XVAJHONEUDYLNA-UHFFFAOYSA-N 0 0 317.393 0.907 50 0 DCAARN Cn1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)cn1 ZINC000072237883 396126907 /nfs/dbraw/zinc/12/69/07/396126907.db2.gz DGEOBBAPAIIMBR-GJZGRUSLSA-N 0 0 314.345 0.957 50 0 DCAARN O[C@H](CN1CCO[C@H](Cn2cncn2)C1)c1cccc(F)c1 ZINC000072253389 396127279 /nfs/dbraw/zinc/12/72/79/396127279.db2.gz LGJGNHDFNJZDTB-LSDHHAIUSA-N 0 0 306.341 0.852 50 0 DCAARN Cc1cnn(C[C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)c1 ZINC000072279982 396129199 /nfs/dbraw/zinc/12/91/99/396129199.db2.gz WJJUZPCUEVMZHK-GFCCVEGCSA-N 0 0 319.365 0.124 50 0 DCAARN Cc1cn2c(n1)CC[C@H](NC(=O)COCc1nc(C)no1)C2 ZINC000072284664 396129828 /nfs/dbraw/zinc/12/98/28/396129828.db2.gz AABVMYVYVSAMOJ-NSHDSACASA-N 0 0 305.338 0.531 50 0 DCAARN O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000072290682 396130128 /nfs/dbraw/zinc/13/01/28/396130128.db2.gz UVEFQZMCBGUGAU-XHBSWPGZSA-N 0 0 317.320 0.740 50 0 DCAARN O=c1onc(-c2ncccn2)n1Cc1ccc(-n2ccnc2)nc1 ZINC000072312959 396131405 /nfs/dbraw/zinc/13/14/05/396131405.db2.gz NTKLUYDIBKFMOB-UHFFFAOYSA-N 0 0 321.300 0.922 50 0 DCAARN Cc1noc(CNC(=O)CNC(=O)OCc2ccccc2)n1 ZINC000069328978 396074607 /nfs/dbraw/zinc/07/46/07/396074607.db2.gz QFDBZIRQXAJPSH-UHFFFAOYSA-N 0 0 304.306 0.921 50 0 DCAARN CN(C(=O)CN1CCO[C@@H](Cn2cccn2)C1)c1nccs1 ZINC000069376119 396076481 /nfs/dbraw/zinc/07/64/81/396076481.db2.gz CZYWODAVBTZHAK-GFCCVEGCSA-N 0 0 321.406 0.703 50 0 DCAARN O=C(CNC(=O)c1ccn[nH]1)Nc1ccc(-n2cccn2)cc1 ZINC000069386455 396076730 /nfs/dbraw/zinc/07/67/30/396076730.db2.gz CKHQQTKKRLOKLF-UHFFFAOYSA-N 0 0 310.317 0.964 50 0 DCAARN Cc1cc(C)n(C[C@@H]2CN(CCN3CCCC3=O)CCO2)n1 ZINC000069393490 396077121 /nfs/dbraw/zinc/07/71/21/396077121.db2.gz FRJSFKYIGVIKST-HNNXBMFYSA-N 0 0 306.410 0.823 50 0 DCAARN Cc1noc([C@@H](C)N2CCN(Cc3nnnn3C3CC3)CC2)n1 ZINC000069392175 396077143 /nfs/dbraw/zinc/07/71/43/396077143.db2.gz GCGAKUYYCPBJDG-SNVBAGLBSA-N 0 0 318.385 0.578 50 0 DCAARN C[C@]1(c2ccccn2)NC(=O)N(CC(=O)N2CCCCC2)C1=O ZINC000069433425 396078144 /nfs/dbraw/zinc/07/81/44/396078144.db2.gz LSZZIUBQWGZOHS-MRXNPFEDSA-N 0 0 316.361 0.861 50 0 DCAARN Cc1nnc2n1CCN(C(=O)Cn1ccc(C(F)(F)F)n1)C2 ZINC000069461638 396079621 /nfs/dbraw/zinc/07/96/21/396079621.db2.gz BQBHVNHGBAIFGJ-UHFFFAOYSA-N 0 0 314.271 0.844 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000069455637 396079632 /nfs/dbraw/zinc/07/96/32/396079632.db2.gz CMNTUJMJBRZLAG-VXGBXAGGSA-N 0 0 312.414 0.016 50 0 DCAARN O=C(CN1CCc2cncnc2C1)N1CC(=O)Nc2ccccc21 ZINC000069493383 396080151 /nfs/dbraw/zinc/08/01/51/396080151.db2.gz FTHCKWYLAGKEAE-UHFFFAOYSA-N 0 0 323.356 0.820 50 0 DCAARN NC(=O)[C@H]1CCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000069557543 396082944 /nfs/dbraw/zinc/08/29/44/396082944.db2.gz PHBJOQNIEXWREX-SNVBAGLBSA-N 0 0 316.317 0.915 50 0 DCAARN CCS(=O)(=O)CCNC(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000069563453 396083066 /nfs/dbraw/zinc/08/30/66/396083066.db2.gz WDUPZSRCGGMMJM-UHFFFAOYSA-N 0 0 324.366 0.219 50 0 DCAARN Cc1cccc(N(CCC(N)=O)CC(=O)N2CCNC2=O)c1 ZINC000069570244 396083748 /nfs/dbraw/zinc/08/37/48/396083748.db2.gz CKWYTKCRODTDAB-UHFFFAOYSA-N 0 0 304.350 0.229 50 0 DCAARN COC[C@@]1(C)NC(=O)N(Cc2ccc3c(c2)OCCO3)C1=O ZINC000069618023 396084382 /nfs/dbraw/zinc/08/43/82/396084382.db2.gz SWZMNTFUCRLSBK-OAHLLOKOSA-N 0 0 306.318 0.915 50 0 DCAARN NC(=O)CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000069621595 396084452 /nfs/dbraw/zinc/08/44/52/396084452.db2.gz NUMGEUPBTPSGBV-SECBINFHSA-N 0 0 313.766 0.744 50 0 DCAARN CCOCCN1CCN(CC(=O)Nc2cc(C)nn2C)CC1 ZINC000069627434 396085245 /nfs/dbraw/zinc/08/52/45/396085245.db2.gz PWBMQJKIZZEMMD-UHFFFAOYSA-N 0 0 309.414 0.321 50 0 DCAARN Cc1cc(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)no1 ZINC000069630452 396085544 /nfs/dbraw/zinc/08/55/44/396085544.db2.gz GCFCUOIROOHCOB-LBPRGKRZSA-N 0 0 304.354 0.925 50 0 DCAARN C[C@H]1CN(C(=O)CN(C)Cc2nnc(C3CC3)n2C)C[C@H](C)O1 ZINC000075008812 396174154 /nfs/dbraw/zinc/17/41/54/396174154.db2.gz CBEHLTPSXZWENY-RYUDHWBXSA-N 0 0 321.425 0.760 50 0 DCAARN Cc1ccc(C(=O)NC[C@H](O)COc2ccccc2)c(=O)[nH]1 ZINC000075119755 396176291 /nfs/dbraw/zinc/17/62/91/396176291.db2.gz CWQIETJLUHPZES-LBPRGKRZSA-N 0 0 302.330 0.853 50 0 DCAARN COc1cc(OC)nc(-n2nc3c(c2C(N)=O)CCCC3)n1 ZINC000075279141 396178806 /nfs/dbraw/zinc/17/88/06/396178806.db2.gz HSZMBJVZPHXVOR-UHFFFAOYSA-N 0 0 303.322 0.657 50 0 DCAARN CC(=O)N[C@](C)(C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1)C1CC1 ZINC000076045284 396192664 /nfs/dbraw/zinc/19/26/64/396192664.db2.gz GZKVTVKRDSOZRH-DOMZBBRYSA-N 0 0 321.381 0.318 50 0 DCAARN CC(=O)N1CCN([C@@H]2CN([C@H](C)c3nc(C)no3)C[C@@H]2C)CC1 ZINC000076055549 396195106 /nfs/dbraw/zinc/19/51/06/396195106.db2.gz ZZLMRJKDPZXNCX-YWPYICTPSA-N 0 0 321.425 0.923 50 0 DCAARN NC(=O)c1cc([C@@H]2CCCN(Cc3nnnn3C3CC3)C2)n[nH]1 ZINC000076060259 396195739 /nfs/dbraw/zinc/19/57/39/396195739.db2.gz GWMSHWNXGFBLHD-SECBINFHSA-N 0 0 316.369 0.210 50 0 DCAARN COc1cc(N2CCN(C(=O)C[C@H]3CCCO3)CC2)ncn1 ZINC000183830014 396276175 /nfs/dbraw/zinc/27/61/75/396276175.db2.gz SNWMFLGUXPVELH-GFCCVEGCSA-N 0 0 306.366 0.703 50 0 DCAARN COCCC[C@H]1CCCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000077407774 396221466 /nfs/dbraw/zinc/22/14/66/396221466.db2.gz UGHGUHHCFMAMKV-LLVKDONJSA-N 0 0 309.366 0.271 50 0 DCAARN CCN(CC(=O)Nc1cn(C)nc1C)[C@H]1CCS(=O)(=O)C1 ZINC000077423835 396222090 /nfs/dbraw/zinc/22/20/90/396222090.db2.gz FHQIGVMTGVHVBU-NSHDSACASA-N 0 0 314.411 0.176 50 0 DCAARN O=C([C@H]1CCOC1)N1CCc2c(ncnc2N2CCOCC2)C1 ZINC000077565372 396226679 /nfs/dbraw/zinc/22/66/79/396226679.db2.gz SRECYEPKARZXGZ-LBPRGKRZSA-N 0 0 318.377 0.234 50 0 DCAARN O=c1c2sccc2nc2n1[C@@H]1CS(=O)(=O)C[C@@H]1S2 ZINC000098212119 296530363 /nfs/dbraw/zinc/53/03/63/296530363.db2.gz OTKMRDUHEXIDPQ-RQJHMYQMSA-N 0 0 300.386 0.902 50 0 DCAARN COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1ccc(F)c(F)c1 ZINC000184913587 396310709 /nfs/dbraw/zinc/31/07/09/396310709.db2.gz IUFUSRBFOFTQDZ-LBPRGKRZSA-N 0 0 319.329 0.737 50 0 DCAARN CCn1cc(S(=O)(=O)N[C@H]2CC(=O)N(C(C)C)C2)cn1 ZINC000265633133 396332149 /nfs/dbraw/zinc/33/21/49/396332149.db2.gz FMJBACHZCWEZSW-JTQLQIEISA-N 0 0 300.384 0.191 50 0 DCAARN CCn1cc(NC(=O)[C@@H]2COCCN2CC(F)F)ccc1=O ZINC000187306136 396367409 /nfs/dbraw/zinc/36/74/09/396367409.db2.gz HEZSMEJEVJNJHD-NSHDSACASA-N 0 0 315.320 0.773 50 0 DCAARN NC(=O)c1ccc(CN2CCCC[C@H]2c2nc(=O)[nH][nH]2)cc1 ZINC000289433531 396460104 /nfs/dbraw/zinc/46/01/04/396460104.db2.gz VVZNURXBLPNCQB-LBPRGKRZSA-N 0 0 301.350 0.924 50 0 DCAARN Cc1ocnc1C(=O)NC1CCN(C(=O)N2CCOCC2)CC1 ZINC000584887415 396632473 /nfs/dbraw/zinc/63/24/73/396632473.db2.gz FYBZPGSIWRASRY-UHFFFAOYSA-N 0 0 322.365 0.629 50 0 DCAARN O=C([C@H]1CCOC1)N1CCN(CCc2ccccc2)C(=O)C1 ZINC000584888741 396633476 /nfs/dbraw/zinc/63/34/76/396633476.db2.gz XKVYMHHEJLLEQC-HNNXBMFYSA-N 0 0 302.374 0.936 50 0 DCAARN O=C([C@@H]1CCC(=O)NC(=O)N1)N1CCOc2ccccc2C1 ZINC000584896258 396634418 /nfs/dbraw/zinc/63/44/18/396634418.db2.gz OIAFZLFIOXWBLF-NSHDSACASA-N 0 0 303.318 0.396 50 0 DCAARN Cc1ccc([C@H](C)NC(=O)CN2C(=O)NC(C)(C)C2=O)cn1 ZINC000584893151 396634865 /nfs/dbraw/zinc/63/48/65/396634865.db2.gz XWBSAKRLPYMZDF-JTQLQIEISA-N 0 0 304.350 0.898 50 0 DCAARN O=c1c2nccnc2ncn1Cc1cccc(-c2nn[nH]n2)c1 ZINC000584899390 396636145 /nfs/dbraw/zinc/63/61/45/396636145.db2.gz NXSGHHFXIRHSHF-UHFFFAOYSA-N 0 0 306.289 0.415 50 0 DCAARN CS(=O)(=O)N1CCCC[C@H]1CCNC(=O)C1CC(=O)C1 ZINC000584903836 396636941 /nfs/dbraw/zinc/63/69/41/396636941.db2.gz JNFNRPJPZQVNDO-NSHDSACASA-N 0 0 302.396 0.286 50 0 DCAARN O=C(COc1ccccc1F)N[C@@H](CO)[C@@H](O)c1ccccn1 ZINC000585134091 396640586 /nfs/dbraw/zinc/64/05/86/396640586.db2.gz DMEAOHJSEZAKIT-BBRMVZONSA-N 0 0 320.320 0.810 50 0 DCAARN Cc1ccc(S(=O)(=O)NC[C@H](CO)Cc2cnn(C)c2)cc1 ZINC000585141697 396642032 /nfs/dbraw/zinc/64/20/32/396642032.db2.gz FEQQAPNBOSMYOK-CQSZACIVSA-N 0 0 323.418 0.858 50 0 DCAARN Cc1ncsc1C(=O)NCCn1nc2c(cc1=O)CCC2 ZINC000585150304 396642043 /nfs/dbraw/zinc/64/20/43/396642043.db2.gz KCJRMLPXVGMLCN-UHFFFAOYSA-N 0 0 304.375 0.927 50 0 DCAARN Cc1nccc(OC2CCN(C(=O)CN3CCOC3=O)CC2)n1 ZINC000585146988 396642297 /nfs/dbraw/zinc/64/22/97/396642297.db2.gz DFSCRCZSRAAHHW-UHFFFAOYSA-N 0 0 320.349 0.607 50 0 DCAARN COc1ccc(CCC(=O)N2CC(N3C(=O)CNC3=O)C2)cc1 ZINC000585146975 396642341 /nfs/dbraw/zinc/64/23/41/396642341.db2.gz BKFDOXBPGLMYDW-UHFFFAOYSA-N 0 0 317.345 0.390 50 0 DCAARN Cc1nccnc1C[N@@H+]1C[C@H](CC(=O)[O-])[C@H](c2cn(C)nn2)C1 ZINC000299793799 396713685 /nfs/dbraw/zinc/71/36/85/396713685.db2.gz IMGUHGKPXFRGIT-NWDGAFQWSA-N 0 0 316.365 0.604 50 0 DCAARN Cc1noc(CN2CCN(c3ncnc(N)c3Cl)CC2)n1 ZINC000302897708 396723988 /nfs/dbraw/zinc/72/39/88/396723988.db2.gz PLYOWFHAWGPPAN-UHFFFAOYSA-N 0 0 309.761 0.726 50 0 DCAARN COc1cccc2c1OC[C@H](NS(=O)(=O)N1CCCC1)C2 ZINC000591390167 396914932 /nfs/dbraw/zinc/91/49/32/396914932.db2.gz HRWPKIXYUZQCLX-GFCCVEGCSA-N 0 0 312.391 0.929 50 0 DCAARN Cc1nc(CN2CCN(S(=O)(=O)NC(C)C)CC2)[nH]c1C ZINC000630092818 396938932 /nfs/dbraw/zinc/93/89/32/396938932.db2.gz GBCPFRGQTFETAL-UHFFFAOYSA-N 0 0 315.443 0.387 50 0 DCAARN Cc1cc(C(=O)N2CC(c3nc(C4CC4)nn3C)C2)nn1C ZINC000409420733 397359521 /nfs/dbraw/zinc/35/95/21/397359521.db2.gz IPWJMGKHFAGSET-UHFFFAOYSA-N 0 0 300.366 0.974 50 0 DCAARN CS(=O)(=O)N1CCC(C(=O)NC[C@@]2(O)C=CCCC2)CC1 ZINC000606440433 397681373 /nfs/dbraw/zinc/68/13/73/397681373.db2.gz TWRNIQIIFVZNEU-CQSZACIVSA-N 0 0 316.423 0.245 50 0 DCAARN CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)N(S(=O)(=O)C2CC2)C1 ZINC000408029523 160015918 /nfs/dbraw/zinc/01/59/18/160015918.db2.gz TYDVMFSFZLONIZ-KOLCDFICSA-N 0 0 312.395 0.936 50 0 DCAARN CCN(CC)S(=O)(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000408169293 160052162 /nfs/dbraw/zinc/05/21/62/160052162.db2.gz MRTLANAKDLSSRH-NWDGAFQWSA-N 0 0 305.444 0.810 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=S)Nc1ccccc1 ZINC000013496540 415150428 /nfs/dbraw/zinc/15/04/28/415150428.db2.gz GTLPHQUYEJAACF-LLVKDONJSA-N 0 0 307.375 0.747 50 0 DCAARN Cc1nn2cc(CNC(=O)[C@H](C)Cn3cncn3)nc2s1 ZINC000020540390 415155130 /nfs/dbraw/zinc/15/51/30/415155130.db2.gz GCSSSQCRTOURLF-MRVPVSSYSA-N 0 0 305.367 0.643 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cc(C)on2)o1 ZINC000025139147 415158781 /nfs/dbraw/zinc/15/87/81/415158781.db2.gz MNXFLJRPMPZQFX-UHFFFAOYSA-N 0 0 313.335 0.756 50 0 DCAARN CCCc1cc(C(=O)NC2CCN(CC(=O)NC)CC2)[nH]n1 ZINC000025234407 415160512 /nfs/dbraw/zinc/16/05/12/415160512.db2.gz KKVNKJXGGLDOQQ-UHFFFAOYSA-N 0 0 307.398 0.302 50 0 DCAARN Cn1cc(NC(=O)Cn2nnc(COc3ccccc3)n2)cn1 ZINC000025306930 415161957 /nfs/dbraw/zinc/16/19/57/415161957.db2.gz HJAZYEGEHQUTMD-UHFFFAOYSA-N 0 0 313.321 0.624 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)c2ccn(C)c2)c1 ZINC000025255234 415163314 /nfs/dbraw/zinc/16/33/14/415163314.db2.gz AYWKBFHVLODQFM-UHFFFAOYSA-N 0 0 323.374 0.320 50 0 DCAARN O=C1NC(=S)N(Cc2ccco2)C(=O)C1=CN1CCOCC1 ZINC000000463858 415124768 /nfs/dbraw/zinc/12/47/68/415124768.db2.gz PMFYRYWCAJUGNW-PKNBQFBNSA-N 0 0 321.358 0.239 50 0 DCAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)N1CCOCC1)C(=O)N2 ZINC000000316929 415124840 /nfs/dbraw/zinc/12/48/40/415124840.db2.gz DZOGEVYEXFQKMC-QEORTHHSSA-N 0 0 316.357 0.874 50 0 DCAARN Cn1cnnc1SCC(=O)N1CCN(c2ncccn2)CC1 ZINC000007077092 415136806 /nfs/dbraw/zinc/13/68/06/415136806.db2.gz MBFIDVHLOKCKID-UHFFFAOYSA-N 0 0 319.394 0.046 50 0 DCAARN Nc1nc(N)nc(COC(=O)COc2ccc3c(c2)CCC3)n1 ZINC000007089319 415137463 /nfs/dbraw/zinc/13/74/63/415137463.db2.gz PPYOSXPRWAPFMI-UHFFFAOYSA-N 0 0 315.333 0.647 50 0 DCAARN COc1ccc(NC(=O)CN2CCC(C(N)=O)CC2)c(OC)c1 ZINC000007435785 415141815 /nfs/dbraw/zinc/14/18/15/415141815.db2.gz CTIBNWQPINEZQA-UHFFFAOYSA-N 0 0 321.377 0.840 50 0 DCAARN CC1=C[C@](O)(C(F)(F)F)N(S(=O)(=O)c2cnn(C)c2)N1 ZINC000008782456 415143202 /nfs/dbraw/zinc/14/32/02/415143202.db2.gz BBCHKFNKQJILLP-QMMMGPOBSA-N 0 0 312.273 0.441 50 0 DCAARN COCCNC(=O)[C@@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000009059773 415146708 /nfs/dbraw/zinc/14/67/08/415146708.db2.gz XRYNRMGTZUPMOJ-SNVBAGLBSA-N 0 0 304.354 0.332 50 0 DCAARN Cc1noc(CN2CCN(CCNC(=O)c3ccco3)CC2)n1 ZINC000027282740 415169225 /nfs/dbraw/zinc/16/92/25/415169225.db2.gz QRJAOVCOGAJJOR-UHFFFAOYSA-N 0 0 319.365 0.519 50 0 DCAARN CN(Cc1cnn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000040540093 415196089 /nfs/dbraw/zinc/19/60/89/415196089.db2.gz ZPELCLIOHQANHI-AWEZNQCLSA-N 0 0 306.391 0.886 50 0 DCAARN CCCCC[C@@H](C)NC(=O)Cn1nc(-n2cncn2)ccc1=O ZINC000040539753 415197192 /nfs/dbraw/zinc/19/71/92/415197192.db2.gz HVQHPXXRAYQGLU-GFCCVEGCSA-N 0 0 318.381 0.909 50 0 DCAARN O=C(NC[C@@H]1CCCO1)NC1CCN(c2ncccn2)CC1 ZINC000044945757 415234165 /nfs/dbraw/zinc/23/41/65/415234165.db2.gz LQIJXXVMYWLPLI-ZDUSSCGKSA-N 0 0 305.382 0.924 50 0 DCAARN CCOc1ncccc1C(=O)NCCN1CCN(C(C)=O)CC1 ZINC000044936572 415234919 /nfs/dbraw/zinc/23/49/19/415234919.db2.gz XNDAYAXQOUTGSS-UHFFFAOYSA-N 0 0 320.393 0.374 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)NCc1cccnc1N(C)C ZINC000044954703 415237343 /nfs/dbraw/zinc/23/73/43/415237343.db2.gz NXMVRRHHTCMSMS-CYBMUJFWSA-N 0 0 321.425 0.668 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)N(C[C@@H]1CCOC1)C1CC1 ZINC000044968221 415240172 /nfs/dbraw/zinc/24/01/72/415240172.db2.gz GEQFVISXVBXTQG-NEPJUHHUSA-N 0 0 316.423 0.632 50 0 DCAARN COCCCNC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000044980239 415244566 /nfs/dbraw/zinc/24/45/66/415244566.db2.gz LJYJXHZQXNYDTQ-UHFFFAOYSA-N 0 0 311.363 0.065 50 0 DCAARN COCCN1C[C@H](C(=O)NCCc2ccccc2F)CC1=O ZINC000045287565 415248539 /nfs/dbraw/zinc/24/85/39/415248539.db2.gz BKYYDKCBQCKCIS-CYBMUJFWSA-N 0 0 308.353 0.979 50 0 DCAARN COc1cccc(OCCNS(=O)(=O)N2CCOCC2)c1 ZINC000045810475 415252290 /nfs/dbraw/zinc/25/22/90/415252290.db2.gz AVZNUIJVBWOMNL-UHFFFAOYSA-N 0 0 316.379 0.241 50 0 DCAARN CC(C)(C)c1nc(CN2CCN(CC(=O)NC3CC3)CC2)no1 ZINC000046037699 415253477 /nfs/dbraw/zinc/25/34/77/415253477.db2.gz JNOAFTJATJLISZ-UHFFFAOYSA-N 0 0 321.425 0.763 50 0 DCAARN O=C(Nc1nncs1)N[C@H]1CCCc2c1cnn2CCO ZINC000047125429 415266577 /nfs/dbraw/zinc/26/65/77/415266577.db2.gz VOSQHFCOWXDBPN-VIFPVBQESA-N 0 0 308.367 0.926 50 0 DCAARN C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccnc1 ZINC000044387776 415220740 /nfs/dbraw/zinc/22/07/40/415220740.db2.gz XLTLVCOSGKYYCX-WCQYABFASA-N 0 0 311.407 0.930 50 0 DCAARN Cc1noc(CNC(=O)CCn2cnc3ccccc3c2=O)n1 ZINC000044454786 415221713 /nfs/dbraw/zinc/22/17/13/415221713.db2.gz ZNVJFEKHWXMWMJ-UHFFFAOYSA-N 0 0 313.317 0.794 50 0 DCAARN CCn1c(N)c(C(=O)CN(C)Cc2ccsc2)c(=O)[nH]c1=O ZINC000044869543 415229175 /nfs/dbraw/zinc/22/91/75/415229175.db2.gz CXSJZBFGFHORSS-UHFFFAOYSA-N 0 0 322.390 0.515 50 0 DCAARN CC(=O)N1CCC(NC(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000044870865 415229275 /nfs/dbraw/zinc/22/92/75/415229275.db2.gz HGFWBCYAYKONSF-UHFFFAOYSA-N 0 0 324.402 0.831 50 0 DCAARN C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1cccnc1 ZINC000044894772 415229815 /nfs/dbraw/zinc/22/98/15/415229815.db2.gz WLRRXONHZAOEJV-NSHDSACASA-N 0 0 311.407 0.930 50 0 DCAARN NC(=O)[C@@H]1CCCCN1CC(=O)NCCOc1ccccc1 ZINC000044871318 415229904 /nfs/dbraw/zinc/22/99/04/415229904.db2.gz UMTHWDIEHMWJMJ-AWEZNQCLSA-N 0 0 305.378 0.521 50 0 DCAARN C[C@H]1COCCN1C(=O)Cn1cnc2ccc(F)cc2c1=O ZINC000044912233 415230730 /nfs/dbraw/zinc/23/07/30/415230730.db2.gz BHXAZQUEWAGKCS-JTQLQIEISA-N 0 0 305.309 0.783 50 0 DCAARN O=C(NCCNc1cnccn1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000044913676 415231512 /nfs/dbraw/zinc/23/15/12/415231512.db2.gz ZKQBCYZHBIAEKC-CYBMUJFWSA-N 0 0 312.329 0.786 50 0 DCAARN O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cn[nH]c1 ZINC000065433698 415354713 /nfs/dbraw/zinc/35/47/13/415354713.db2.gz NHKNIDGUKJZDOB-DGCLKSJQSA-N 0 0 309.370 0.269 50 0 DCAARN COc1cccnc1-c1cnn(CC(=O)Nc2cnn(C)n2)c1 ZINC000048284546 415287915 /nfs/dbraw/zinc/28/79/15/415287915.db2.gz RRVDODLVDVQIMH-UHFFFAOYSA-N 0 0 313.321 0.721 50 0 DCAARN Cc1ccc(CNC(=O)[C@@H](CC(C)C)NS(C)(=O)=O)cn1 ZINC000049201516 415306145 /nfs/dbraw/zinc/30/61/45/415306145.db2.gz OPNNUQLHZWBKCH-CYBMUJFWSA-N 0 0 313.423 0.970 50 0 DCAARN COc1ccc(CN2CNc3c(c(=O)n(C)c(=O)n3C)C2)cc1 ZINC000055226530 415331588 /nfs/dbraw/zinc/33/15/88/415331588.db2.gz XKXRIVGVOQELNQ-UHFFFAOYSA-N 0 0 316.361 0.478 50 0 biogenic DCAARN CCOCCN1CCN(CC(=O)Nc2nnc(C)s2)CC1 ZINC000069627495 415400747 /nfs/dbraw/zinc/40/07/47/415400747.db2.gz AJYXKUKGFOAMBV-UHFFFAOYSA-N 0 0 313.427 0.439 50 0 DCAARN COC(=O)[C@H]1C[C@H](C(=O)OC)C(=O)CN1C(=O)c1ccccc1 ZINC000072194204 415409725 /nfs/dbraw/zinc/40/97/25/415409725.db2.gz KQXKRUDATDKFEL-NWDGAFQWSA-N 0 0 319.313 0.432 50 0 DCAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(N)=O)c(=O)c1CCO ZINC000067300747 415375359 /nfs/dbraw/zinc/37/53/59/415375359.db2.gz BVQBKTDNXGILER-UHFFFAOYSA-N 0 0 321.764 0.892 50 0 DCAARN COc1ccc(CN2CCN(C(=O)c3ncc[nH]3)CC2=O)cc1 ZINC000067675898 415378595 /nfs/dbraw/zinc/37/85/95/415378595.db2.gz TTXRSPVNXUSJMZ-UHFFFAOYSA-N 0 0 314.345 0.903 50 0 DCAARN O=C(NCCSc1c[nH]nn1)[C@H]1COc2ccccc2O1 ZINC000067605089 415379609 /nfs/dbraw/zinc/37/96/09/415379609.db2.gz HTAGCISHMJHCGN-LLVKDONJSA-N 0 0 306.347 0.853 50 0 DCAARN C[N@@H+]1CCC[C@@H]1CCn1ccc2[nH]c(=O)c(C(=O)[O-])cc2c1=O ZINC000067966134 415390373 /nfs/dbraw/zinc/39/03/73/415390373.db2.gz CRYMFSIPMGRFHO-SNVBAGLBSA-N 0 0 317.345 0.872 50 0 DCAARN COc1ccccc1CNC(=O)CN1CCN2C(=O)NC[C@H]2C1 ZINC000075105991 415435368 /nfs/dbraw/zinc/43/53/68/415435368.db2.gz DPMVLDBPKIKDNI-ZDUSSCGKSA-N 0 0 318.377 0.021 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)N[C@@H](c1ccccc1C)C1CC1 ZINC000075137486 415435862 /nfs/dbraw/zinc/43/58/62/415435862.db2.gz LYEQJZBOMWOKNC-QGZVFWFLSA-N 0 0 317.389 0.815 50 0 DCAARN Cc1cc(NC(=O)C(=O)NC[C@@](O)(c2ccco2)C2CC2)no1 ZINC000075154974 415436857 /nfs/dbraw/zinc/43/68/57/415436857.db2.gz YGWBMLVYULOBBI-HNNXBMFYSA-N 0 0 319.317 0.929 50 0 DCAARN CNS(=O)(=O)CCCS(=O)(=O)Cc1ccc(F)cc1 ZINC000075136754 415437580 /nfs/dbraw/zinc/43/75/80/415437580.db2.gz DWOMFUHMLIRNSA-UHFFFAOYSA-N 0 0 309.384 0.680 50 0 DCAARN C[C@H](CO)NC(=O)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000075110626 415437790 /nfs/dbraw/zinc/43/77/90/415437790.db2.gz IJIMNPFTARPTHH-LLVKDONJSA-N 0 0 302.334 0.367 50 0 DCAARN CC(C)(O)CNC(=O)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000075110632 415438886 /nfs/dbraw/zinc/43/88/86/415438886.db2.gz SPJTVZONDAQWIE-UHFFFAOYSA-N 0 0 316.361 0.757 50 0 DCAARN Cc1[nH]nc2ncc(C(=O)N3CCN(CC(C)(C)O)CC3)cc12 ZINC000075133748 415439441 /nfs/dbraw/zinc/43/94/41/415439441.db2.gz PENWKBSUJLVGEL-UHFFFAOYSA-N 0 0 317.393 0.795 50 0 DCAARN COc1ccnc(N2CCO[C@@H](Cn3nc(C)nc3C)C2)n1 ZINC000075128652 415439753 /nfs/dbraw/zinc/43/97/53/415439753.db2.gz UTSIDYBDQPVENZ-GFCCVEGCSA-N 0 0 304.354 0.599 50 0 DCAARN O=C(NCCn1ncccc1=O)c1ccc(N2CCCC2)nn1 ZINC000075172605 415443489 /nfs/dbraw/zinc/44/34/89/415443489.db2.gz RLZDITFIABWVCX-UHFFFAOYSA-N 0 0 314.349 0.064 50 0 DCAARN CCN1C[C@@H](c2nc(CN3CCN(C)CC3)no2)CCC1=O ZINC000095368085 415552190 /nfs/dbraw/zinc/55/21/90/415552190.db2.gz XJVGRNAGWAINEF-LBPRGKRZSA-N 0 0 307.398 0.543 50 0 DCAARN Cc1nc(CCN(C)C(=O)[C@H]2CCCN(C(=O)N(C)C)C2)no1 ZINC000095384754 415556948 /nfs/dbraw/zinc/55/69/48/415556948.db2.gz RGIGAMMVZGRMGH-LBPRGKRZSA-N 0 0 323.397 0.773 50 0 DCAARN Cn1ncc2cnn(CCS(=O)(=O)c3ccccc3)c2c1=O ZINC000095438875 415558237 /nfs/dbraw/zinc/55/82/37/415558237.db2.gz LQBIUMXMEHIGQR-UHFFFAOYSA-N 0 0 318.358 0.604 50 0 DCAARN CC[C@H](CCNC(=O)[C@@]1(O)CCSC1)N1CCCC1=O ZINC000095451724 415560186 /nfs/dbraw/zinc/56/01/86/415560186.db2.gz VLRJDPYFYABDJO-BXUZGUMPSA-N 0 0 300.424 0.762 50 0 DCAARN O=C(CCNc1ncccn1)Nc1n[nH]c([C@@H]2CCCO2)n1 ZINC000095478126 415561960 /nfs/dbraw/zinc/56/19/60/415561960.db2.gz YWXJAODYWWCRBX-VIFPVBQESA-N 0 0 303.326 0.887 50 0 DCAARN CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1cc(F)cc(F)c1 ZINC000095941947 415563903 /nfs/dbraw/zinc/56/39/03/415563903.db2.gz ZENHMRFYKSISGI-LBPRGKRZSA-N 0 0 323.317 0.557 50 0 DCAARN CCNC(=O)CS(=O)(=O)c1nnc(C)n1Cc1ccccc1 ZINC000095953946 415564639 /nfs/dbraw/zinc/56/46/39/415564639.db2.gz CESXKRGTBFJKGD-UHFFFAOYSA-N 0 0 322.390 0.545 50 0 DCAARN Cc1nn(C)c(Cl)c1CN1CCC[C@H]1CS(N)(=O)=O ZINC000095972558 415568250 /nfs/dbraw/zinc/56/82/50/415568250.db2.gz ZCBFBICFSMPUAK-VIFPVBQESA-N 0 0 306.819 0.635 50 0 DCAARN C[C@@H](CNc1cc(N2CCC[C@H]2CO)ncn1)N1CCOCC1 ZINC000106905882 415650821 /nfs/dbraw/zinc/65/08/21/415650821.db2.gz WIMCNWSAXYBZTD-KBPBESRZSA-N 0 0 321.425 0.570 50 0 DCAARN CCOC(=O)C(=CNC(=CC(N)=O)SC)C(=O)OCC ZINC000104804041 415625995 /nfs/dbraw/zinc/62/59/95/415625995.db2.gz CGQLPLXKHDEUNB-UXBLZVDNSA-N 0 0 302.352 0.276 50 0 DCAARN CNC(=O)[C@H]1CN(Cc2ccc(N3CCCC3)nc2)CCO1 ZINC000097081619 415579931 /nfs/dbraw/zinc/57/99/31/415579931.db2.gz WZCLRHWWEJCPNO-CQSZACIVSA-N 0 0 304.394 0.629 50 0 DCAARN Cc1nc(C[C@@H]2CCCN(c3ccc(C(N)=O)nn3)C2)no1 ZINC000097047793 415581159 /nfs/dbraw/zinc/58/11/59/415581159.db2.gz VUUBQCVJSYESAP-JTQLQIEISA-N 0 0 302.338 0.726 50 0 DCAARN CC(CO)(CO)NC(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000097098000 415581784 /nfs/dbraw/zinc/58/17/84/415581784.db2.gz JBRUDKOEJNMSRZ-UHFFFAOYSA-N 0 0 309.753 0.999 50 0 DCAARN O=C(Nc1ccc(-n2ccnn2)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000097104065 415582131 /nfs/dbraw/zinc/58/21/31/415582131.db2.gz VMGYCWVKNOYXQK-GFCCVEGCSA-N 0 0 324.348 0.995 50 0 DCAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)NC[C@@H](C)O)C2=O ZINC000097178126 415586657 /nfs/dbraw/zinc/58/66/57/415586657.db2.gz RSSFJLQJRMHRHX-LLVKDONJSA-N 0 0 304.346 0.868 50 0 DCAARN O=C(NCCO)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000097110839 415587015 /nfs/dbraw/zinc/58/70/15/415587015.db2.gz ZRMBSIUKJCGWFL-NWDGAFQWSA-N 0 0 312.366 0.077 50 0 DCAARN Cc1cn2c(n1)CC[C@@H](NC(=O)c1cnc3ccccn3c1=O)C2 ZINC000097198544 415587979 /nfs/dbraw/zinc/58/79/79/415587979.db2.gz PYBRQROJWKHZCX-GFCCVEGCSA-N 0 0 323.356 0.944 50 0 DCAARN Nc1ccnc(N2CCN(C(=O)CC3=CCCC3)C[C@H](O)C2)n1 ZINC000097156012 415588268 /nfs/dbraw/zinc/58/82/68/415588268.db2.gz ZXDKZHBRNPNFHN-ZDUSSCGKSA-N 0 0 317.393 0.569 50 0 DCAARN NC(=O)[C@@]1(O)CCCN(c2ncncc2Br)C1 ZINC000284637193 415599229 /nfs/dbraw/zinc/59/92/29/415599229.db2.gz NSWSPMWRXZDFSG-SNVBAGLBSA-N 0 0 301.144 0.056 50 0 DCAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCCOC[C@H]2CCOC2)C1 ZINC000107049583 415657927 /nfs/dbraw/zinc/65/79/27/415657927.db2.gz WVWXRWUEQHURLH-MJBXVCDLSA-N 0 0 320.455 0.852 50 0 DCAARN O=C(NC1CC1)[C@@H]1CCC[C@@H](NC(=O)[C@@]2(O)CCSC2)C1 ZINC000108149970 415675911 /nfs/dbraw/zinc/67/59/11/415675911.db2.gz WWMCJXZXVLLCIW-IXPVHAAZSA-N 0 0 312.435 0.808 50 0 DCAARN CC(=O)c1c(C)nn(CCC(=O)N[C@H]2CCCNC2=O)c1C ZINC000299774675 416065446 /nfs/dbraw/zinc/06/54/46/416065446.db2.gz HWKPQPYKSQSAOV-LBPRGKRZSA-N 0 0 306.366 0.487 50 0 DCAARN O=C([C@@H]1CCS(=O)(=O)C1)N1CC(Oc2ccc(F)cc2)C1 ZINC000299773704 416065460 /nfs/dbraw/zinc/06/54/60/416065460.db2.gz FERUMIUBAHZLKD-SNVBAGLBSA-N 0 0 313.350 0.850 50 0 DCAARN Cc1nc(-c2cccc(C(=O)N3CCC[C@H]3C(N)=O)c2)nn1C ZINC000299766863 416065757 /nfs/dbraw/zinc/06/57/57/416065757.db2.gz TUPKQVSKXQLPDG-ZDUSSCGKSA-N 0 0 313.361 0.880 50 0 DCAARN Cc1cc(C)nc(S[C@H](C)C(=O)NCCN2CCNC2=O)n1 ZINC000299762649 416066368 /nfs/dbraw/zinc/06/63/68/416066368.db2.gz ORPWOVPKNOERIK-LLVKDONJSA-N 0 0 323.422 0.715 50 0 DCAARN CCNC(=O)N1CCC(NC(=O)Cn2nc(C)cc2N)CC1 ZINC000299781622 416067031 /nfs/dbraw/zinc/06/70/31/416067031.db2.gz UAMSTLVGSYNQTP-UHFFFAOYSA-N 0 0 308.386 0.084 50 0 DCAARN O=C([O-])C[C@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1c1c[nH]nn1 ZINC000299784500 416067417 /nfs/dbraw/zinc/06/74/17/416067417.db2.gz MFBZSEXBOGRWMR-GXSJLCMTSA-N 0 0 324.772 0.845 50 0 DCAARN COc1cccc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)c1O ZINC000299778470 416067915 /nfs/dbraw/zinc/06/79/15/416067915.db2.gz HIINHNONFOCUMR-VIFPVBQESA-N 0 0 314.363 0.151 50 0 DCAARN CN1C[C@H](C(=O)NCCN2CCCOC2=O)Oc2ccccc21 ZINC000299784290 416067989 /nfs/dbraw/zinc/06/79/89/416067989.db2.gz GIVZTDXGRVPJNX-CQSZACIVSA-N 0 0 319.361 0.842 50 0 DCAARN CC(=O)N[C@@H](C(=O)NCc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000299780701 416068135 /nfs/dbraw/zinc/06/81/35/416068135.db2.gz BUUOBOOLGZABKB-CYBMUJFWSA-N 0 0 316.365 0.644 50 0 DCAARN COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(-n3cccn3)cc2)CN1 ZINC000299796193 416070573 /nfs/dbraw/zinc/07/05/73/416070573.db2.gz NMEHYSPHVPZJFO-JSGCOSHPSA-N 0 0 314.345 0.506 50 0 DCAARN CCCN1C[C@@H](C(=O)NCc2cnc3cnccn23)CCC1=O ZINC000299802354 416070848 /nfs/dbraw/zinc/07/08/48/416070848.db2.gz SOTLSKXBDWTZNR-LBPRGKRZSA-N 0 0 315.377 0.994 50 0 DCAARN Cc1c[nH]c(C(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)n1 ZINC000299797914 416071340 /nfs/dbraw/zinc/07/13/40/416071340.db2.gz OUDHBMVMZMVCCL-VXGBXAGGSA-N 0 0 321.406 0.540 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](O)C2)C1 ZINC000345346358 416081903 /nfs/dbraw/zinc/08/19/03/416081903.db2.gz PMVHHYYBGIVNRT-NWDGAFQWSA-N 0 0 304.412 0.031 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCC(=O)NC1(C)C ZINC000338431165 416097571 /nfs/dbraw/zinc/09/75/71/416097571.db2.gz SJJCHBDUXMQWQL-JTQLQIEISA-N 0 0 314.411 0.372 50 0 DCAARN CCN(CC(N)=O)C(=O)c1cn(-c2ccc(F)cc2C)nn1 ZINC000189695603 416270106 /nfs/dbraw/zinc/27/01/06/416270106.db2.gz BBXMUHMLQAGQHU-UHFFFAOYSA-N 0 0 305.313 0.662 50 0 DCAARN CN1CCN(S(=O)(=O)c2cccc3c2OC(C)(C)C3)CC1=O ZINC000192636402 416308695 /nfs/dbraw/zinc/30/86/95/416308695.db2.gz XKUZQGCOZRLLGS-UHFFFAOYSA-N 0 0 324.402 0.863 50 0 DCAARN C[C@@H]1CN(C(=O)C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)CCO1 ZINC000246875070 416332317 /nfs/dbraw/zinc/33/23/17/416332317.db2.gz VGFOPBSIEGEPAI-MQYQWHSLSA-N 0 0 310.394 0.951 50 0 DCAARN COCCNC(=O)c1nnn2c1CO[C@H](c1ccccc1)C2 ZINC000263619135 416338275 /nfs/dbraw/zinc/33/82/75/416338275.db2.gz XDPCQUCRXSJUMG-ZDUSSCGKSA-N 0 0 302.334 0.926 50 0 DCAARN O=C([O-])c1ccccc1C[N@H+]1CCCN([C@H]2COC[C@@H]2O)CC1 ZINC000215422415 416326931 /nfs/dbraw/zinc/32/69/31/416326931.db2.gz DGMSBNVBAIQLRD-HOTGVXAUSA-N 0 0 320.389 0.652 50 0 DCAARN CN1C[C@]2(CCN(C(=O)c3ccc4n[nH]nc4c3)C2)OC1=O ZINC000215690561 416327274 /nfs/dbraw/zinc/32/72/74/416327274.db2.gz GHBPKUNAVUTJOK-AWEZNQCLSA-N 0 0 301.306 0.625 50 0 DCAARN Cn1nc(CO)c2c1CC[N@H+](CC(C)(C)N1CCOCC1)C2 ZINC000216541807 416327398 /nfs/dbraw/zinc/32/73/98/416327398.db2.gz BOHYBSYMNCQDOS-UHFFFAOYSA-N 0 0 308.426 0.381 50 0 DCAARN Nc1ncccc1CN1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000216109915 416327440 /nfs/dbraw/zinc/32/74/40/416327440.db2.gz XUTNEWXSWCIWND-CQSZACIVSA-N 0 0 304.394 0.877 50 0 DCAARN CSc1ncccc1C(=O)N1CC(N2C(=O)COC2=O)C1 ZINC000225695872 416327805 /nfs/dbraw/zinc/32/78/05/416327805.db2.gz OTNZMSFECDHPIQ-UHFFFAOYSA-N 0 0 307.331 0.607 50 0 DCAARN O=C(Nc1cc(Br)c[nH]c1=O)[C@H]1COCCN1 ZINC000238115381 416329875 /nfs/dbraw/zinc/32/98/75/416329875.db2.gz LXMPJSBCYSEONV-MRVPVSSYSA-N 0 0 302.128 0.477 50 0 DCAARN C[C@@H]1O[C@H](Nc2ccc(OC(F)(F)F)cc2)[C@H](O)[C@@H](O)[C@H]1O ZINC000239309882 416330182 /nfs/dbraw/zinc/33/01/82/416330182.db2.gz HWRAWYGCOWASEC-GHIOYOQGSA-N 0 0 323.267 0.825 50 0 DCAARN Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)Cc2ccsc2)C1 ZINC000244659798 416330615 /nfs/dbraw/zinc/33/06/15/416330615.db2.gz HIXKOMOJMBULHA-PHIMTYICSA-N 0 0 306.391 0.974 50 0 DCAARN Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@](O)(CO)CC1 ZINC000244723885 416330706 /nfs/dbraw/zinc/33/07/06/416330706.db2.gz MJIRYXXGJLVDCX-QGZVFWFLSA-N 0 0 306.406 0.821 50 0 DCAARN O=C(Cn1ccnn1)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000244734319 416330774 /nfs/dbraw/zinc/33/07/74/416330774.db2.gz NDHPIKCLOFKOTG-KWCYVHTRSA-N 0 0 301.350 0.172 50 0 DCAARN C[C@H](Cn1cncn1)C(=O)N1CCCN(c2ncccn2)CC1 ZINC000244659612 416330975 /nfs/dbraw/zinc/33/09/75/416330975.db2.gz HFSTYRJHYMIOIK-CYBMUJFWSA-N 0 0 315.381 0.443 50 0 DCAARN Cc1cnc(C)c(N2CCN(CCn3cc[nH]c3=O)CC2)n1 ZINC000244795225 416331039 /nfs/dbraw/zinc/33/10/39/416331039.db2.gz RBXOPHYKZPOXKY-UHFFFAOYSA-N 0 0 302.382 0.405 50 0 DCAARN CCOc1ccc(CN2CCN3CCN(C)C(=O)[C@H]3C2)cn1 ZINC000244840366 416331057 /nfs/dbraw/zinc/33/10/57/416331057.db2.gz ULVWFAGXIFIVFN-CQSZACIVSA-N 0 0 304.394 0.439 50 0 DCAARN O=C(CCc1cccc(F)c1)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000244774212 416331098 /nfs/dbraw/zinc/33/10/98/416331098.db2.gz PPSLZRJWGWWZDN-VXGBXAGGSA-N 0 0 301.339 0.032 50 0 DCAARN CCS(=O)(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000245344030 416331154 /nfs/dbraw/zinc/33/11/54/416331154.db2.gz WYXJSGJXAGVNOJ-GJZGRUSLSA-N 0 0 310.419 0.921 50 0 DCAARN O=c1cc(N2CCC[C@@](O)(c3cn[nH]n3)C2)nc2ccccn12 ZINC000583616901 416477773 /nfs/dbraw/zinc/47/77/73/416477773.db2.gz XIOIDERZHWAVOO-HNNXBMFYSA-N 0 0 312.333 0.301 50 0 DCAARN C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1C(=O)Nc1ccc(C2CC2)nn1 ZINC000583651049 416480623 /nfs/dbraw/zinc/48/06/23/416480623.db2.gz FUXKJGYEVUXLRE-LPEHRKFASA-N 0 0 303.366 1.483 50 0 DCAARN Nc1n[nH]c(CCNC(=O)[C@@H]2CCCN(c3ccccn3)C2)n1 ZINC000534654348 416505850 /nfs/dbraw/zinc/50/58/50/416505850.db2.gz DRGHIIKGNGDGOQ-LLVKDONJSA-N 0 0 315.381 0.357 50 0 DCAARN CCOC(=O)C[C@@H](NC(=O)[C@]1(C)CCC(=O)NC1)C(F)(F)F ZINC000585113610 416517663 /nfs/dbraw/zinc/51/76/63/416517663.db2.gz QVSUXUHJZDJUKA-PRHODGIISA-N 0 0 324.299 0.903 50 0 DCAARN Cn1cc(NC(=O)N[C@H]2CC23CCCCC3)c(=O)n(C)c1=O ZINC000585119640 416517975 /nfs/dbraw/zinc/51/79/75/416517975.db2.gz NVEKJJPUXBOCIH-NSHDSACASA-N 0 0 306.366 0.928 50 0 DCAARN CCOC(=O)c1cnc(S[C@H](C)c2nnnn2C)nc1N ZINC000390834090 417100584 /nfs/dbraw/zinc/10/05/84/417100584.db2.gz RRVYLVHCTKXNFV-ZCFIWIBFSA-N 0 0 309.355 0.612 50 0 DCAARN O=C(Cn1cncn1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575607025 417539446 /nfs/dbraw/zinc/53/94/46/417539446.db2.gz WRIDORADFKFDGD-NSHDSACASA-N 0 0 322.756 0.792 50 0 DCAARN Cn1cc(-c2noc(CNC(=O)NC[C@H]3CCCO3)n2)cn1 ZINC000575608776 417541200 /nfs/dbraw/zinc/54/12/00/417541200.db2.gz VCSNAQWMIIPBMG-SNVBAGLBSA-N 0 0 306.326 0.448 50 0 DCAARN COCCOc1cccc(C(=O)NCC(=O)N2CCCO2)c1 ZINC000627880676 417523622 /nfs/dbraw/zinc/52/36/22/417523622.db2.gz RNEDDQVUPUSREY-UHFFFAOYSA-N 0 0 308.334 0.606 50 0 DCAARN CC(C)CC1(C(=O)N2CCC(NS(N)(=O)=O)CC2)CCC1 ZINC000629186733 417756232 /nfs/dbraw/zinc/75/62/32/417756232.db2.gz FHFJUOAMEXSYAX-UHFFFAOYSA-N 0 0 317.455 0.987 50 0 DCAARN NC(=O)C[C@@H]1COCCN1c1cnc2cc(F)c(F)cc2n1 ZINC000649564945 418260562 /nfs/dbraw/zinc/26/05/62/418260562.db2.gz JQLMFZATJZGSGZ-MRVPVSSYSA-N 0 0 308.288 0.989 50 0 DCAARN CCCN1N=C(C)Cn2c1nc1c2c(=O)n(CC)c(=O)n1C ZINC000010328946 273614933 /nfs/dbraw/zinc/61/49/33/273614933.db2.gz TWOTYFYKZNFSBL-UHFFFAOYSA-N 0 0 304.354 0.523 50 0 DCAARN CC1=NN(C)c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2C1 ZINC000009420334 275925695 /nfs/dbraw/zinc/92/56/95/275925695.db2.gz ZJWNIDBANKIPGM-UHFFFAOYSA-N 0 0 304.354 0.378 50 0 DCAARN CC(=O)N[C@@H](CC(=O)NCC(=O)NC1CC1)c1ccc(C)cc1 ZINC000039985571 277040861 /nfs/dbraw/zinc/04/08/61/277040861.db2.gz QMQZHGTWVQBZES-HNNXBMFYSA-N 0 0 317.389 0.957 50 0 DCAARN COc1ccc(N2C(=S)N(C)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000004168731 277417649 /nfs/dbraw/zinc/41/76/49/277417649.db2.gz TVGQPNZXHRTQKC-RYUDHWBXSA-N 0 0 312.416 0.898 50 0 DCAARN COc1ccc(-n2c(N)c(Br)c(=O)[nH]c2=O)cc1 ZINC000001062036 277865762 /nfs/dbraw/zinc/86/57/62/277865762.db2.gz ONUISCLVTUEXCR-UHFFFAOYSA-N 0 0 312.123 0.879 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000071821484 278095895 /nfs/dbraw/zinc/09/58/95/278095895.db2.gz SOECWFPDMUFGPP-UHFFFAOYSA-N 0 0 323.315 0.476 50 0 DCAARN CC(C)(C)CCS(=O)(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000408103128 278319832 /nfs/dbraw/zinc/31/98/32/278319832.db2.gz KUWUTQVFVDIERP-JTQLQIEISA-N 0 0 312.457 0.505 50 0 DCAARN CC1(C)C(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)C1(C)C ZINC000074234044 280878809 /nfs/dbraw/zinc/87/88/09/280878809.db2.gz BNUXVEQLULZQCP-SNVBAGLBSA-N 0 0 317.455 0.700 50 0 DCAARN CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F ZINC000072149917 288970049 /nfs/dbraw/zinc/97/00/49/288970049.db2.gz JLKYRETVFYLNOM-GFCCVEGCSA-N 0 0 311.332 0.744 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000000614498 289256201 /nfs/dbraw/zinc/25/62/01/289256201.db2.gz PHOREDWUDLDWGB-UHFFFAOYSA-N 0 0 304.416 0.016 50 0 DCAARN Cc1ncncc1C(=O)N1CCc2nc(C)n(C)c(=O)c2CC1 ZINC000065432762 293665879 /nfs/dbraw/zinc/66/58/79/293665879.db2.gz DDWBWUCINSSBHF-UHFFFAOYSA-N 0 0 313.361 0.428 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCOC[C@H]2C)cc1C(N)=O ZINC000026845284 295193416 /nfs/dbraw/zinc/19/34/16/295193416.db2.gz ATLRCIYUIKEBOL-SECBINFHSA-N 0 0 314.363 0.204 50 0 DCAARN C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CCC(N)=O)C1=O ZINC000024099860 297902817 /nfs/dbraw/zinc/90/28/17/297902817.db2.gz AATUHJRCOWGPID-HNNXBMFYSA-N 0 0 319.317 0.144 50 0 DCAARN C[C@H](C(F)(F)F)S(=O)(=O)N1CCOC[C@]12CCOC2 ZINC000242339288 298231993 /nfs/dbraw/zinc/23/19/93/298231993.db2.gz ZGOOTPBVSIEELX-RKDXNWHRSA-N 0 0 303.302 0.758 50 0 DCAARN O=C(NN1CCOCC1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12 ZINC000005519233 303816830 /nfs/dbraw/zinc/81/68/30/303816830.db2.gz UNTAXMFJCYVDKL-WFASDCNBSA-N 0 0 319.386 0.620 50 0 DCAARN O=C(CSc1nnnn1Cc1ccccc1)N1CCOCC1 ZINC000014121800 331548409 /nfs/dbraw/zinc/54/84/09/331548409.db2.gz ANXZPYACPQIMSF-UHFFFAOYSA-N 0 0 319.390 0.672 50 0 DCAARN COC[C@@H]1CCCN(S(=O)(=O)NCc2cscn2)C1 ZINC000534581098 334289279 /nfs/dbraw/zinc/28/92/79/334289279.db2.gz JEDAFIKETAJYSI-SNVBAGLBSA-N 0 0 305.425 0.836 50 0 DCAARN Cc1onc(C(=O)N[C@H]2CCCN(C(=O)C(C)C)C2)c1CO ZINC000534649955 334311323 /nfs/dbraw/zinc/31/13/23/334311323.db2.gz AAKBVHABSMNFJV-NSHDSACASA-N 0 0 309.366 0.852 50 0 DCAARN CC(C)[C@@H](NC(=O)c1cnc2nc[nH]n2c1=O)c1nccn1C ZINC000534651661 334312184 /nfs/dbraw/zinc/31/21/84/334312184.db2.gz KJYWBKXIFOUJEH-SNVBAGLBSA-N 0 0 315.337 0.278 50 0 DCAARN CC(=O)N1CCO[C@H](CNS(=O)(=O)CC2CCCC2)C1 ZINC000534660362 334315898 /nfs/dbraw/zinc/31/58/98/334315898.db2.gz PIXBWMUEXCNUFC-CYBMUJFWSA-N 0 0 304.412 0.343 50 0 DCAARN CCc1nn(C)c(OC)c1CNC(=O)N[C@@H]1C(=O)NCC[C@@H]1C ZINC000193924069 522670821 /nfs/dbraw/zinc/67/08/21/522670821.db2.gz NWYAMNHVXPUSSM-CABZTGNLSA-N 0 0 323.397 0.315 50 0 DCAARN CN(c1cccc(C(=O)NC[C@@H]2CCCO2)c1)S(C)(=O)=O ZINC000065364310 523643381 /nfs/dbraw/zinc/64/33/81/523643381.db2.gz LCYVQBGIOVLNER-ZDUSSCGKSA-N 0 0 312.391 0.991 50 0 DCAARN Cc1ncc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)cn1 ZINC000299781356 534728611 /nfs/dbraw/zinc/72/86/11/534728611.db2.gz FGIZOYSOBRQIFJ-QWHCGFSZSA-N 0 0 300.322 0.363 50 0 DCAARN Cc1cccc(C(=O)N2CCn3c(nn(CC(F)F)c3=O)C2)n1 ZINC000364192199 524186316 /nfs/dbraw/zinc/18/63/16/524186316.db2.gz UOOGIAYFMBJSNF-UHFFFAOYSA-N 0 0 323.303 0.669 50 0 DCAARN CC(=O)N1CCC(CNC(=O)c2cn(C)c(C)cc2=O)CC1 ZINC000299784207 526536888 /nfs/dbraw/zinc/53/68/88/526536888.db2.gz JCGUGUMHECYTIQ-UHFFFAOYSA-N 0 0 305.378 0.682 50 0 DCAARN CC(C)=CC(=O)NCCS(=O)(=O)CCNC(=O)C=C(C)C ZINC000408516194 527390257 /nfs/dbraw/zinc/39/02/57/527390257.db2.gz XMVFXPAZPIOICB-UHFFFAOYSA-N 0 0 316.423 0.566 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)N1CCOC[C@@]12CCOC2 ZINC000194421897 527618972 /nfs/dbraw/zinc/61/89/72/527618972.db2.gz AXCFLNQMYAPQTE-INIZCTEOSA-N 0 0 307.394 0.987 50 0 DCAARN CC1=C(C(=O)NC[C@H]2CCCOC2)[C@H](C)n2nnnc2N1C ZINC000408522012 528075556 /nfs/dbraw/zinc/07/55/56/528075556.db2.gz BODXIIISCDOUGZ-WDEREUQCSA-N 0 0 306.370 0.501 50 0 DCAARN CCS[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000370171300 529210408 /nfs/dbraw/zinc/21/04/08/529210408.db2.gz YDKDAXDSLBTXON-IJLUTSLNSA-N 0 0 315.439 0.946 50 0 DCAARN CCn1c2ccccc2nc(N2CCN(C(=O)NC)CC2)c1=O ZINC000064926276 536006260 /nfs/dbraw/zinc/00/62/60/536006260.db2.gz NYJVDKVDJMGVFI-UHFFFAOYSA-N 0 0 315.377 0.878 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)c3ccn(C)c(=O)c3)CCO2)[nH]1 ZINC000083830022 545697858 /nfs/dbraw/zinc/69/78/58/545697858.db2.gz QSQZIAPRQRKFBQ-NSHDSACASA-N 0 0 317.349 0.280 50 0 DCAARN Cc1sc(=O)n(CCC(=O)N[C@@H]2CCC[C@H]2C(N)=O)c1C ZINC000084061884 545698257 /nfs/dbraw/zinc/69/82/57/545698257.db2.gz YPMMDOCLFRKTRN-GHMZBOCLSA-N 0 0 311.407 0.687 50 0 DCAARN O=C(c1cn2cccnc2n1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000084614951 545701798 /nfs/dbraw/zinc/70/17/98/545701798.db2.gz XJCVYLMUNAIRIB-ZIAGYGMSSA-N 0 0 315.377 0.401 50 0 DCAARN CC(C)c1nnc([C@H]2CN(CCCS(C)(=O)=O)CCO2)[nH]1 ZINC000084630899 545702721 /nfs/dbraw/zinc/70/27/21/545702721.db2.gz SXVHRLGBADVWRP-LLVKDONJSA-N 0 0 316.427 0.736 50 0 DCAARN COc1cccc(N2CCN(C(=O)c3cn[nH]c3)CC2=O)c1 ZINC000215791469 545937909 /nfs/dbraw/zinc/93/79/09/545937909.db2.gz BINYMIBGSSBSCG-UHFFFAOYSA-N 0 0 300.318 0.907 50 0 DCAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C)[C@H](CCO)C2)c1 ZINC000670433739 547088493 /nfs/dbraw/zinc/08/84/93/547088493.db2.gz HVOQTMPOYXIGKQ-CQSZACIVSA-N 0 0 312.435 0.991 50 0 DCAARN COC[C@@H]1CCCN(S(=O)(=O)NCc2csc(N)n2)C1 ZINC000670457237 547097708 /nfs/dbraw/zinc/09/77/08/547097708.db2.gz DYTYCNIJVJXVFY-SECBINFHSA-N 0 0 320.440 0.418 50 0 DCAARN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cnc2c(c1)CCCC2 ZINC000670465041 547098526 /nfs/dbraw/zinc/09/85/26/547098526.db2.gz LPFLRJLNGBYFGF-ZIAGYGMSSA-N 0 0 324.402 0.502 50 0 DCAARN O=C(NCCc1ccc[nH]1)c1coc(CN2CC[C@H](O)C2)n1 ZINC000685941755 548747061 /nfs/dbraw/zinc/74/70/61/548747061.db2.gz HZTVYUNFXBFRMS-LBPRGKRZSA-N 0 0 304.350 0.542 50 0 DCAARN CN(C)c1nccc(NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)n1 ZINC000685940634 548747250 /nfs/dbraw/zinc/74/72/50/548747250.db2.gz FALQTWCXTQBERD-QJPTWQEYSA-N 0 0 317.397 0.638 50 0 DCAARN Cn1cc(C(=O)NC[C@](C)(O)c2ccc3c(c2)OCO3)nn1 ZINC000206704024 563635409 /nfs/dbraw/zinc/63/54/09/563635409.db2.gz GIIWWWJDYTWFGR-AWEZNQCLSA-N 0 0 304.306 0.181 50 0 DCAARN Cc1cc(C)n(CC(=O)NCCc2nncn2C(C)C)c(=O)n1 ZINC000252479780 660647953 /nfs/dbraw/zinc/64/79/53/660647953.db2.gz BMUAPIMPIWUDRF-UHFFFAOYSA-N 0 0 318.381 0.391 50 0 DCAARN Cc1cnn(C[C@H](C)NC(=O)N[C@@H]2CCc3c(nnn3C)C2)c1 ZINC000888094050 661158015 /nfs/dbraw/zinc/15/80/15/661158015.db2.gz ZIMYMNOAQGDSTC-NWDGAFQWSA-N 0 0 317.397 0.565 50 0 DCAARN Cc1cnn(C[C@H](C)NC(=O)N[C@H]2CCc3c(nnn3C)C2)c1 ZINC000888094051 661158181 /nfs/dbraw/zinc/15/81/81/661158181.db2.gz ZIMYMNOAQGDSTC-RYUDHWBXSA-N 0 0 317.397 0.565 50 0 DCAARN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc3nonc3c2)C1 ZINC000888098328 661177417 /nfs/dbraw/zinc/17/74/17/661177417.db2.gz HWIMISYKDZOAIS-UHFFFAOYSA-N 0 0 318.333 0.890 50 0 DCAARN COCCN1CCC[C@]2(CCN(Cc3noc(C)n3)C2)C1=O ZINC000091738279 657888258 /nfs/dbraw/zinc/88/82/58/657888258.db2.gz TYMVQQAUSCFAHX-OAHLLOKOSA-N 0 0 308.382 0.839 50 0 DCAARN CCN1CCNC(=O)[C@H]1CC(=O)N1Cc2cnc(C)cc2C1 ZINC000299775016 659642563 /nfs/dbraw/zinc/64/25/63/659642563.db2.gz KMQPEARTMWCWOV-CQSZACIVSA-N 0 0 302.378 0.443 50 0 DCAARN C[C@H](NC(=O)N1CCC(c2nnc[nH]2)CC1)c1nncn1C ZINC000426411588 661579486 /nfs/dbraw/zinc/57/94/86/661579486.db2.gz XEAIRXOUMGUSTF-VIFPVBQESA-N 0 0 304.358 0.583 50 0 DCAARN Cc1cc(C)nc(CCNC(=O)[C@@H](C)N2CCN(C)CC2)n1 ZINC000426647397 661688554 /nfs/dbraw/zinc/68/85/54/661688554.db2.gz WEPGJMBMZIZFPI-CQSZACIVSA-N 0 0 305.426 0.388 50 0 DCAARN COc1ccc(C(=O)N(CCO)Cc2nccn2C)c(OC)n1 ZINC000952971467 665834519 /nfs/dbraw/zinc/83/45/19/665834519.db2.gz SVRGUHQLIVXFEQ-UHFFFAOYSA-N 0 0 320.349 0.467 50 0 DCAARN COCCn1cnnc1CNC(=O)c1c(C)nc2ncccn21 ZINC000299780109 662681247 /nfs/dbraw/zinc/68/12/47/662681247.db2.gz ABRXNLDSUIBUBP-UHFFFAOYSA-N 0 0 315.337 0.206 50 0 DCAARN CC(=O)N1CCN(C(=O)CNC(C)(C)c2ncc(C)s2)CC1 ZINC000183934224 666153855 /nfs/dbraw/zinc/15/38/55/666153855.db2.gz OSAHDMHKXADEIR-UHFFFAOYSA-N 0 0 324.450 0.967 50 0 DCAARN COCCCNc1nc2nonc2nc1N1CC[C@H](COC)C1 ZINC000011754161 666191048 /nfs/dbraw/zinc/19/10/48/666191048.db2.gz VFBZAZMKJKFTCA-JTQLQIEISA-N 0 0 322.369 0.934 50 0 DCAARN O=C(CN1CCN(c2cccs2)C(=O)C1)N1CCOCC1 ZINC000186086391 666671471 /nfs/dbraw/zinc/67/14/71/666671471.db2.gz RCPUENAVIMPEBB-UHFFFAOYSA-N 0 0 309.391 0.256 50 0 DCAARN COCCN(CCOC)C1CN(C(=O)[C@@H](C)CSC)C1 ZINC000863948061 667197062 /nfs/dbraw/zinc/19/70/62/667197062.db2.gz YLSFTUIEEFMQAS-LBPRGKRZSA-N 0 0 304.456 0.791 50 0 DCAARN CCO[C@@H]1C[C@@H](NC(=O)NC[C@H]2COCO2)C12CCOCC2 ZINC000864095695 667214746 /nfs/dbraw/zinc/21/47/46/667214746.db2.gz WPJXYJCLSYZGHR-YNEHKIRRSA-N 0 0 314.382 0.633 50 0 DCAARN O=C(CO)N1CCN(Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000793591045 669727059 /nfs/dbraw/zinc/72/70/59/669727059.db2.gz FPHXAWUSFQDZEX-GFCCVEGCSA-N 0 0 311.407 0.631 50 0 DCAARN CN1C[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)CCC1=O ZINC000188173510 669986849 /nfs/dbraw/zinc/98/68/49/669986849.db2.gz ARZVNLPOJZVVCX-MRVPVSSYSA-N 0 0 302.256 0.846 50 0 DCAARN CCO[C@@H](CS(=O)(=O)N1CC[C@H](c2nnc[nH]2)C1)C1CC1 ZINC000859199815 671081554 /nfs/dbraw/zinc/08/15/54/671081554.db2.gz SMEPGSNFZWFHGI-RYUDHWBXSA-N 0 0 314.411 0.739 50 0 DCAARN Cc1nc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)ccc1C(=O)[O-] ZINC000394737755 685267442 /nfs/dbraw/zinc/26/74/42/685267442.db2.gz HLSGGKLBLOVRHQ-LBPRGKRZSA-N 0 0 318.377 0.208 50 0 DCAARN Cc1noc(CN2CCC(CNC(=O)Cn3cccn3)CC2)n1 ZINC000952971835 685599800 /nfs/dbraw/zinc/59/98/00/685599800.db2.gz YJMANKWVPAXUPC-UHFFFAOYSA-N 0 0 318.381 0.603 50 0 DCAARN Cc1cccc(CN2CCN3C(=O)[C@@H](C(C)C)NC(=O)[C@H]3C2)n1 ZINC000014742090 685048730 /nfs/dbraw/zinc/04/87/30/685048730.db2.gz XNCNWVOHIIJMON-HUUCEWRRSA-N 0 0 316.405 0.557 50 0 DCAARN C[C@H]1NC(=O)[C@H]2CN(C(=O)c3cccc(F)c3F)CCN2C1=O ZINC000014754107 685049118 /nfs/dbraw/zinc/04/91/18/685049118.db2.gz LPSVUHWBXGURLL-LDYMZIIASA-N 0 0 323.299 0.136 50 0 DCAARN C[C@@H](C(=O)N[C@H]1CCCCNC1=O)n1c2ccccc2oc1=O ZINC000020781331 685052597 /nfs/dbraw/zinc/05/25/97/685052597.db2.gz KNEUGBAVHYFVSC-QWRGUYRKSA-N 0 0 317.345 0.940 50 0 DCAARN C[C@@H]1CCc2nc(NC(=O)CNS(C)(=O)=O)sc2C1 ZINC000049032377 685058931 /nfs/dbraw/zinc/05/89/31/685058931.db2.gz FZJWOKWNLFIQQD-SSDOTTSWSA-N 0 0 303.409 0.756 50 0 DCAARN CN(C)C(=O)N1CCC[C@@H](c2nc(CN3CCOCC3)no2)C1 ZINC000096135884 685111886 /nfs/dbraw/zinc/11/18/86/685111886.db2.gz FYDQAKDYYAQBMO-GFCCVEGCSA-N 0 0 323.397 0.763 50 0 DCAARN Cc1nn2ncccc2c1C(=O)N1C[C@H]2CCCN2C(=O)[C@H]1C ZINC001772706647 1157843250 /nfs/dbraw/zinc/84/32/50/1157843250.db2.gz OKTIIVFZNDOBMM-VXGBXAGGSA-N 0 0 313.361 0.873 50 0 DCAARN COc1cccc(CCC(=O)N2C[C@@H]3[C@H](C2)C3(CO)CO)c1 ZINC001772706379 1157843418 /nfs/dbraw/zinc/84/34/18/1157843418.db2.gz NTRPLZRNYYYCKT-GASCZTMLSA-N 0 0 305.374 0.687 50 0 DCAARN O=C(Cn1ncc2ccccc21)N1C[C@@H]2[C@H](C1)C2(CO)CO ZINC001772709345 1157847007 /nfs/dbraw/zinc/84/70/07/1157847007.db2.gz OPGIPVVNOJQKMU-BETUJISGSA-N 0 0 301.346 0.096 50 0 DCAARN COc1nc(N2CCC(c3nnc(CO)n3C)CC2)ncc1F ZINC001772711019 1157848253 /nfs/dbraw/zinc/84/82/53/1157848253.db2.gz VBKAUQUPCZAYOH-UHFFFAOYSA-N 0 0 322.344 0.629 50 0 DCAARN Cc1cc(C[C@@H]2CN(Cc3nncn3C(C)C)C[C@@H]2O)n[nH]1 ZINC001704303443 1179966226 /nfs/dbraw/zinc/96/62/26/1179966226.db2.gz YRWZRZYSZBECTD-OCCSQVGLSA-N 0 0 304.398 0.926 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cnn(C)c3C)C[C@@H]2O)[nH]n1 ZINC001704303623 1179966313 /nfs/dbraw/zinc/96/63/13/1179966313.db2.gz MHVYHMPYUIKUDK-RISCZKNCSA-N 0 0 303.366 0.436 50 0 DCAARN Cn1cc(S(=O)(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cn1 ZINC001704339058 1179977698 /nfs/dbraw/zinc/97/76/98/1179977698.db2.gz NFPFKTVGNCKSHG-TZMCWYRMSA-N 0 0 322.390 0.351 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cc(O)ccc3N)C[C@H]2O)on1 ZINC001704338356 1179977905 /nfs/dbraw/zinc/97/79/05/1179977905.db2.gz RQAHNGFCBYMIFV-MEBBXXQBSA-N 0 0 317.345 0.946 50 0 DCAARN COc1cccc(C(=O)NCCC(=O)NC[C@H]2CCOC2)c1 ZINC001704354031 1179983229 /nfs/dbraw/zinc/98/32/29/1179983229.db2.gz RLFKQWMCTJGMLI-GFCCVEGCSA-N 0 0 306.362 0.968 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3ncccc3O)C[C@H]2O)on1 ZINC001704358399 1179984917 /nfs/dbraw/zinc/98/49/17/1179984917.db2.gz KGXWAVHNWKTSJG-ZWNOBZJWSA-N 0 0 303.318 0.759 50 0 DCAARN CN1C[C@H](O)C[C@H]1c1nnc2n1CCN(Cc1cccnc1)C2 ZINC000675010570 748025415 /nfs/dbraw/zinc/02/54/15/748025415.db2.gz KFVSMJYGZSTHAF-KGLIPLIRSA-N 0 0 314.393 0.426 50 0 DCAARN CN(C)C(=O)N(CCNC(=O)c1ccncc1)C1CCOCC1 ZINC000675021230 748027842 /nfs/dbraw/zinc/02/78/42/748027842.db2.gz ZTPSGBUIFQVTLQ-UHFFFAOYSA-N 0 0 320.393 0.974 50 0 DCAARN CCS(=O)(=O)NCCN(C(=O)C1CC1)C1CCOCC1 ZINC000675021855 748028212 /nfs/dbraw/zinc/02/82/12/748028212.db2.gz FXBMQLZWZWRHDU-UHFFFAOYSA-N 0 0 304.412 0.343 50 0 DCAARN COCCn1nnnc1[C@]1(N(C)C)CCN(C(=O)CC2CC2)C1 ZINC000675025557 748028753 /nfs/dbraw/zinc/02/87/53/748028753.db2.gz CNJVJNUBBIKXQM-HNNXBMFYSA-N 0 0 322.413 0.109 50 0 DCAARN CCCn1nccc1S(=O)(=O)NCCN1CCCCC1=O ZINC000823033409 758219777 /nfs/dbraw/zinc/21/97/77/758219777.db2.gz VGOVMHUPUGANSZ-UHFFFAOYSA-N 0 0 314.411 0.584 50 0 DCAARN CCN(Cc1ccncc1)C(=O)NC[C@@H]1CN(C)C(=O)CO1 ZINC000823056106 758221787 /nfs/dbraw/zinc/22/17/87/758221787.db2.gz MVCKNJFVDWZHBS-CYBMUJFWSA-N 0 0 306.366 0.470 50 0 DCAARN COc1cccc2c1OC[C@@H](NC(=O)CCn1nnnc1C)C2 ZINC000824804701 758784890 /nfs/dbraw/zinc/78/48/90/758784890.db2.gz GWSISDOYIAGZCG-LBPRGKRZSA-N 0 0 317.349 0.500 50 0 DCAARN Cc1cccc(-n2nc(CC(N)=O)nc2C[C@@H]2CCCOC2)n1 ZINC000826841973 758845463 /nfs/dbraw/zinc/84/54/63/758845463.db2.gz FSGIIMUWIVVTJL-LBPRGKRZSA-N 0 0 315.377 0.968 50 0 DCAARN NC(=O)Cc1nc(CCCc2cn[nH]c2)n(-c2ccncc2)n1 ZINC000826841839 758845788 /nfs/dbraw/zinc/84/57/88/758845788.db2.gz CNEJUGKYDMGSDS-UHFFFAOYSA-N 0 0 311.349 0.589 50 0 DCAARN NCc1nc(C(=O)NCc2csc(-c3cnccn3)n2)co1 ZINC000827479870 758864492 /nfs/dbraw/zinc/86/44/92/758864492.db2.gz ZIPYMSUCUAASSY-UHFFFAOYSA-N 0 0 316.346 0.977 50 0 DCAARN C[C@@H](Cn1cccn1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000827627997 758872228 /nfs/dbraw/zinc/87/22/28/758872228.db2.gz IPRJKJWWSXLYEJ-ZDUSSCGKSA-N 0 0 300.366 0.658 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC1(Cn2ccnc2)CC1 ZINC000827847757 758892161 /nfs/dbraw/zinc/89/21/61/758892161.db2.gz IVWDACXWDWRMEL-UHFFFAOYSA-N 0 0 317.349 0.532 50 0 DCAARN O=S(=O)(NCC1(CN2CCOCC2)CC1)N1CCCC1 ZINC000828388628 759001371 /nfs/dbraw/zinc/00/13/71/759001371.db2.gz PTIUKOWOCXEHPV-UHFFFAOYSA-N 0 0 303.428 0.029 50 0 DCAARN CC(C)[C@H](O)C(=O)N1CCC(CNC(=O)c2ccon2)CC1 ZINC000828574579 759038549 /nfs/dbraw/zinc/03/85/49/759038549.db2.gz AILGNRDCJILYKR-ZDUSSCGKSA-N 0 0 309.366 0.660 50 0 DCAARN CCn1ccc(C(=O)N2CC[C@H](CC(=O)N3CCOCC3)C2)n1 ZINC000581783124 760249775 /nfs/dbraw/zinc/24/97/75/760249775.db2.gz PDSKBJWPKFUFIN-CYBMUJFWSA-N 0 0 320.393 0.614 50 0 DCAARN COCCN1C(=O)C(CC(=O)N2CCOCC2)=C2CCCC[C@@H]21 ZINC000581792497 760252704 /nfs/dbraw/zinc/25/27/04/760252704.db2.gz IBMUQBCUWMTJPY-HNNXBMFYSA-N 0 0 322.405 0.963 50 0 DCAARN CN1C[C@@]2(CCOC2)N(C2CCN(C(=O)C3CC3)CC2)C1=O ZINC000581814904 760256550 /nfs/dbraw/zinc/25/65/50/760256550.db2.gz KIEFHRJBYKNMBR-MRXNPFEDSA-N 0 0 307.394 0.914 50 0 DCAARN NS(=O)(=O)C[C@H]1CCCCN1C(=O)c1ccc(O)c(F)c1 ZINC000584908681 766237925 /nfs/dbraw/zinc/23/79/25/766237925.db2.gz RQKASZIUIASRTH-SNVBAGLBSA-N 0 0 316.354 0.815 50 0 DCAARN O=S(=O)(N[C@@H]1CCCc2ccccc21)C1CS(=O)(=O)C1 ZINC000585079740 766268192 /nfs/dbraw/zinc/26/81/92/766268192.db2.gz SJLCUTXHLLVTHI-CYBMUJFWSA-N 0 0 315.416 0.780 50 0 DCAARN CN(C)c1cc(NC(=O)N[C@H]2CS(=O)(=O)C2(C)C)ncn1 ZINC000585138147 766293697 /nfs/dbraw/zinc/29/36/97/766293697.db2.gz RLYXOURLYSHCHO-QMMMGPOBSA-N 0 0 313.383 0.240 50 0 DCAARN Cc1cnc(N2CCC[C@H](C(=O)N3CCOCC3)C2)nc1N ZINC000043027846 767386239 /nfs/dbraw/zinc/38/62/39/767386239.db2.gz MTCRYSPRSNPALJ-LBPRGKRZSA-N 0 0 305.382 0.442 50 0 DCAARN O=C(Cn1cccn1)NC[C@@H]1CCCN(Cc2c[nH]cn2)C1 ZINC000952861159 768923001 /nfs/dbraw/zinc/92/30/01/768923001.db2.gz DLRRXJJMGQVPHL-ZDUSSCGKSA-N 0 0 302.382 0.635 50 0 DCAARN O=C1NC[C@H]2CN(S(=O)(=O)C3CCC(F)(F)CC3)CCN12 ZINC000952877176 768942289 /nfs/dbraw/zinc/94/22/89/768942289.db2.gz MENXWRJPFQYFLK-VIFPVBQESA-N 0 0 323.365 0.604 50 0 DCAARN CCCCS(=O)(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[nH]2)C1 ZINC000952879242 768942964 /nfs/dbraw/zinc/94/29/64/768942964.db2.gz BZWNUDWQCPSTMA-LLVKDONJSA-N 0 0 314.411 0.789 50 0 DCAARN Cc1nc(C(C)C)ccc1CN(C(CO)CO)S(C)(=O)=O ZINC000952880537 768946861 /nfs/dbraw/zinc/94/68/61/768946861.db2.gz VVAFTLPBSNSMMO-UHFFFAOYSA-N 0 0 316.423 0.628 50 0 DCAARN O=C(CCN1CCCC1=O)N[C@@H]1COC[C@H]1Cc1ccncc1 ZINC001529105539 1014495757 /nfs/dbraw/zinc/49/57/57/1014495757.db2.gz FSLPTQSGLOUDMY-HUUCEWRRSA-N 0 0 317.389 0.768 50 0 DCAARN CN(CCCCOc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001529174159 1014513676 /nfs/dbraw/zinc/51/36/76/1014513676.db2.gz QALZBXIPFHADHO-HUUCEWRRSA-N 0 0 313.419 0.935 50 0 DCAARN Cc1cc(C)n(C2CN(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001506399440 1017255568 /nfs/dbraw/zinc/25/55/68/1017255568.db2.gz NQODYZYCNKIQQH-OKILXGFUSA-N 0 0 306.410 0.992 50 0 DCAARN Nc1nc2c(c(C(=O)N3CCN4C(=O)OC[C@@H]4C3)n1)CCCC2 ZINC001506398366 1017253247 /nfs/dbraw/zinc/25/32/47/1017253247.db2.gz PKLNAARVHFYJMI-VIFPVBQESA-N 0 0 317.349 0.214 50 0 DCAARN CCCC[C@@H]1C(=O)N(C)CCN1CCCS(=O)(=O)N(C)C ZINC001506399125 1017253621 /nfs/dbraw/zinc/25/36/21/1017253621.db2.gz ARCVSVZIZIRHHX-CYBMUJFWSA-N 0 0 319.471 0.601 50 0 DCAARN CC(=O)N1CCC(C(=O)Nc2nnc3nc(C)ccn32)CC1 ZINC001506406007 1017255145 /nfs/dbraw/zinc/25/51/45/1017255145.db2.gz MFUVMIAEYPOYKE-UHFFFAOYSA-N 0 0 302.338 0.630 50 0 DCAARN CC[NH+]1CCN(CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC1 ZINC001506412333 1017261396 /nfs/dbraw/zinc/26/13/96/1017261396.db2.gz BHOZVBIAYZKOBR-CQSZACIVSA-N 0 0 311.426 0.727 50 0 DCAARN C[C@H](C(=O)NCCc1c[nH]cn1)n1nnc2ccccc2c1=O ZINC000095480230 185373640 /nfs/dbraw/zinc/37/36/40/185373640.db2.gz LUHZVULGORVFIX-SNVBAGLBSA-N 0 0 312.333 0.435 50 0 DCAARN COc1ccc(NC(=O)NCCN2CCNC2=O)c(OC)n1 ZINC000095497621 185374507 /nfs/dbraw/zinc/37/45/07/185374507.db2.gz HLMQEIZBLFWIMV-UHFFFAOYSA-N 0 0 309.326 0.246 50 0 DCAARN CN(C)S(=O)(=O)CCNC(=O)[C@@H]1COc2ccccc2C1 ZINC000095500344 185374594 /nfs/dbraw/zinc/37/45/94/185374594.db2.gz UISQGYNHDHSCLA-LBPRGKRZSA-N 0 0 312.391 0.245 50 0 DCAARN COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccnc(N)c1)C2 ZINC000095505155 185375272 /nfs/dbraw/zinc/37/52/72/185375272.db2.gz MNXRRIOWCSWUHG-QWHCGFSZSA-N 0 0 318.377 0.373 50 0 DCAARN Cc1nc(CCNC(=O)[C@H]2COc3ccccc3C2)cc(=O)[nH]1 ZINC000095513088 185376486 /nfs/dbraw/zinc/37/64/86/185376486.db2.gz BPGUZEVJHUHSEL-CYBMUJFWSA-N 0 0 313.357 0.988 50 0 DCAARN Cc1nc(CC2CCN(C(=O)CN3CCNC3=O)CC2)no1 ZINC000095520895 185377494 /nfs/dbraw/zinc/37/74/94/185377494.db2.gz HQXMZYKGZYTXFG-UHFFFAOYSA-N 0 0 307.354 0.184 50 0 DCAARN CC[C@H](COC)NC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000078842635 185119273 /nfs/dbraw/zinc/11/92/73/185119273.db2.gz KDNAXSPVUDTUED-GFCCVEGCSA-N 0 0 314.407 0.848 50 0 DCAARN Cc1cnn(CCC(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000079001316 185144696 /nfs/dbraw/zinc/14/46/96/185144696.db2.gz BCWKWDJNUSEGNP-CQSZACIVSA-N 0 0 320.393 0.431 50 0 DCAARN C[C@@H](O)CN(Cc1nc(N)nc(N(C)C)n1)c1ccccc1 ZINC000083170130 185215915 /nfs/dbraw/zinc/21/59/15/185215915.db2.gz FHBLLOWXKBELEL-LLVKDONJSA-N 0 0 302.382 0.907 50 0 DCAARN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CNC(=O)N1 ZINC000089958877 185271764 /nfs/dbraw/zinc/27/17/64/185271764.db2.gz LKSLKQLFIFPFAS-VXGBXAGGSA-N 0 0 319.361 0.746 50 0 DCAARN CCCCn1nnnc1NC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000082039514 192353785 /nfs/dbraw/zinc/35/37/85/192353785.db2.gz HZZVPGGXUNZCEP-SECBINFHSA-N 0 0 316.387 0.029 50 0 DCAARN NS(=O)(=O)c1ccc(NC(=O)c2cc3n(n2)CCCO3)cc1 ZINC000090583660 185305031 /nfs/dbraw/zinc/30/50/31/185305031.db2.gz YYUZHQVBOQVCMY-UHFFFAOYSA-N 0 0 322.346 0.565 50 0 DCAARN O=C(c1ncoc1C1CC1)N1CCN(CCn2cncn2)CC1 ZINC000082096876 192355229 /nfs/dbraw/zinc/35/52/29/192355229.db2.gz HPVJJVVNJPNKER-UHFFFAOYSA-N 0 0 316.365 0.602 50 0 DCAARN CCc1cccc(OC2CN(C(=O)CCn3cnnn3)C2)c1 ZINC000082121009 192359606 /nfs/dbraw/zinc/35/96/06/192359606.db2.gz NWYWBTMBIOMMBL-UHFFFAOYSA-N 0 0 301.350 0.915 50 0 DCAARN CC(C)[C@H](NC(N)=O)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000082127127 192359193 /nfs/dbraw/zinc/35/91/93/192359193.db2.gz FJBUJTNBEYCKSH-AWEZNQCLSA-N 0 0 318.377 0.555 50 0 DCAARN O=C(N1CCN(C2CC2)C(=O)C1)C1(O)Cc2ccccc2C1 ZINC000095407105 185356103 /nfs/dbraw/zinc/35/61/03/185356103.db2.gz KBRPTOXJJRSNSK-UHFFFAOYSA-N 0 0 300.358 0.350 50 0 DCAARN CN(C)c1ccc(C(=O)N2CCOC[C@@H]2c2nc[nH]n2)cn1 ZINC000240912296 282283176 /nfs/dbraw/zinc/28/31/76/282283176.db2.gz IXEQNYZXBCWUSF-LLVKDONJSA-N 0 0 302.338 0.479 50 0 DCAARN CNC(=O)C1CCN(C(=O)[C@@H](C)N(C)CC(F)(F)F)CC1 ZINC000330743124 529842100 /nfs/dbraw/zinc/84/21/00/529842100.db2.gz QXKWYURLEYFMHC-SECBINFHSA-N 0 0 309.332 0.854 50 0 DCAARN Cc1nnc2ccc(N3CCN(c4cnn(C)c4)C(=O)C3)nn12 ZINC000098018810 282349547 /nfs/dbraw/zinc/34/95/47/282349547.db2.gz FJNUBHNIKUXEGG-UHFFFAOYSA-N 0 0 312.337 0.019 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cc[nH]n2)cn1 ZINC000408524244 530028810 /nfs/dbraw/zinc/02/88/10/530028810.db2.gz YZNVEQXWWHMYAN-MRVPVSSYSA-N 0 0 309.351 0.204 50 0 DCAARN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCc1nc(N)no1 ZINC000170651670 197801036 /nfs/dbraw/zinc/80/10/36/197801036.db2.gz JPDVGYVIAPKTJT-PELKAZGASA-N 0 0 304.306 0.539 50 0 DCAARN Cn1ccnc1CN1CCCN(C(=O)COCC2CC2)CC1 ZINC000069878273 190832335 /nfs/dbraw/zinc/83/23/35/190832335.db2.gz GRULANISNQDGKJ-UHFFFAOYSA-N 0 0 306.410 0.881 50 0 DCAARN Cn1c2sc3c(c2c(=O)n(CCCO)c1=O)CC(C)(C)OC3 ZINC000006661415 282611163 /nfs/dbraw/zinc/61/11/63/282611163.db2.gz NXOJBCBOGTYBKT-UHFFFAOYSA-N 0 0 324.402 0.995 50 0 DCAARN Cc1cnn(C[C@@H]2CN(CC(=O)NCc3ccco3)CCO2)c1 ZINC000071186458 190938920 /nfs/dbraw/zinc/93/89/20/190938920.db2.gz FSEXJEHYKZBDJY-HNNXBMFYSA-N 0 0 318.377 0.802 50 0 DCAARN NC(=O)NCCC(=O)N1CCO[C@H](Cc2cccc(F)c2)C1 ZINC000071681408 191007340 /nfs/dbraw/zinc/00/73/40/191007340.db2.gz AFIRWNNMQVJLKQ-CYBMUJFWSA-N 0 0 309.341 0.654 50 0 DCAARN CCO[C@H]1COC[C@@H]1NC(=O)c1cc(C)c(CC)n(C)c1=O ZINC000071749982 191021825 /nfs/dbraw/zinc/02/18/25/191021825.db2.gz WGBCNBDXBKBCKO-JSGCOSHPSA-N 0 0 308.378 0.790 50 0 DCAARN Cc1nnc2n1CCN(C(=O)c1cn(-c3ccccc3)nn1)CC2 ZINC000072150311 191056361 /nfs/dbraw/zinc/05/63/61/191056361.db2.gz PWLDBODWOOUISJ-UHFFFAOYSA-N 0 0 323.360 0.866 50 0 DCAARN Nc1nc(CCC(=O)N2CCC[C@@]3(CNC(=O)O3)C2)cs1 ZINC000072154331 191059420 /nfs/dbraw/zinc/05/94/20/191059420.db2.gz ZWOCRHZHJWZNIM-CYBMUJFWSA-N 0 0 310.379 0.759 50 0 DCAARN O=C(c1cnn(Cc2ccccc2)c1)N1CC[C@H](CO)[C@@H](O)C1 ZINC000072164891 191064979 /nfs/dbraw/zinc/06/49/79/191064979.db2.gz GWDHLMQSUYFVJM-ZBFHGGJFSA-N 0 0 315.373 0.747 50 0 DCAARN NC(=O)N1CCC(C(=O)N2CCC[C@H](n3cncn3)C2)CC1 ZINC000072234720 191078817 /nfs/dbraw/zinc/07/88/17/191078817.db2.gz LWLVLVFSWYXTBD-LBPRGKRZSA-N 0 0 306.370 0.232 50 0 DCAARN Cc1ccc(-n2cc(C(=O)N3CCC[C@@H](C(N)=O)C3)nn2)cc1 ZINC000072273618 191096049 /nfs/dbraw/zinc/09/60/49/191096049.db2.gz RISRYYLUQPNFMD-GFCCVEGCSA-N 0 0 313.361 0.913 50 0 DCAARN Cc1cn2c(n1)CC[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C2 ZINC000072278934 191099783 /nfs/dbraw/zinc/09/97/83/191099783.db2.gz AWBFEVRWYXSXQQ-NWDGAFQWSA-N 0 0 311.407 0.447 50 0 DCAARN C[C@@H](CS(C)(=O)=O)NC(=O)c1cc(Br)c[nH]1 ZINC000072282309 191103328 /nfs/dbraw/zinc/10/33/28/191103328.db2.gz ZTTYMQIXKBCJGP-LURJTMIESA-N 0 0 309.185 0.940 50 0 DCAARN CNS(=O)(=O)c1ccc2c(c1)N(CC(=O)NC1CC1)CC2 ZINC000072296450 191111492 /nfs/dbraw/zinc/11/14/92/191111492.db2.gz QQQAZUOGJGGQRS-UHFFFAOYSA-N 0 0 309.391 0.236 50 0 DCAARN O=C(Cn1cnc2ccccc21)NCc1nnc2c(=O)[nH]ccn12 ZINC000253395382 186305113 /nfs/dbraw/zinc/30/51/13/186305113.db2.gz BVSVSJGVGSSMHE-UHFFFAOYSA-N 0 0 323.316 0.496 50 0 DCAARN O=C(CNC(=O)c1cnccn1)Nc1ccc2occc(=O)c2c1 ZINC000072402581 191151172 /nfs/dbraw/zinc/15/11/72/191151172.db2.gz ZCJOLRKTRJCADJ-UHFFFAOYSA-N 0 0 324.296 0.952 50 0 DCAARN CCN1CC2(CC1=O)CCN(C(=O)c1ccc(=O)[nH]c1)CC2 ZINC000072432757 191164841 /nfs/dbraw/zinc/16/48/41/191164841.db2.gz XKIFJJHELNELCQ-UHFFFAOYSA-N 0 0 303.362 0.850 50 0 DCAARN CC(=O)N1CCN(c2cc(-n3cnc(C)c3C)ncn2)CC1 ZINC000072442161 191167108 /nfs/dbraw/zinc/16/71/08/191167108.db2.gz POJPSLXQEDKSAA-UHFFFAOYSA-N 0 0 300.366 0.948 50 0 DCAARN CSc1ncc(CNC(=O)[C@@H]2NCCc3nc[nH]c32)n1C ZINC000072439900 191167323 /nfs/dbraw/zinc/16/73/23/191167323.db2.gz HPQZVBCAMUXGQP-LLVKDONJSA-N 0 0 306.395 0.368 50 0 DCAARN COC(=O)[C@H](NC=O)[C@@](O)(c1ccc(OC)cc1)C(F)(F)F ZINC000000160725 180711792 /nfs/dbraw/zinc/71/17/92/180711792.db2.gz YMSFIWDVMABWCQ-JQWIXIFHSA-N 0 0 321.251 0.733 50 0 DCAARN CCOc1ccc(CN2CCN(CC(N)=O)C[C@@H]2CCO)cc1 ZINC000072480267 191181505 /nfs/dbraw/zinc/18/15/05/191181505.db2.gz AQCMNXAWGDGBEE-HNNXBMFYSA-N 0 0 321.421 0.439 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccco2)C1 ZINC000000220685 180730316 /nfs/dbraw/zinc/73/03/16/180730316.db2.gz AAQAQUBLCFRWOM-LLVKDONJSA-N 0 0 300.380 0.958 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc1 ZINC000000405407 180777934 /nfs/dbraw/zinc/77/79/34/180777934.db2.gz JYFADIMTXBKXTG-NSHDSACASA-N 0 0 303.405 0.803 50 0 DCAARN CCNc1nc(NC(C)C)nc(N(C#N)[C@@H](C)C(=O)N(C)C)n1 ZINC000000499510 180808006 /nfs/dbraw/zinc/80/80/06/180808006.db2.gz NNTNLSWRYAEVFN-JTQLQIEISA-N 0 0 320.401 0.888 50 0 DCAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC[C@@H]1CCCO1 ZINC000000532559 180815517 /nfs/dbraw/zinc/81/55/17/180815517.db2.gz QTHJGCUWPAAQCX-JTQLQIEISA-N 0 0 324.358 0.126 50 0 DCAARN O=C(NCC1CCN(C(=O)[C@H]2CCCO2)CC1)[C@@H]1CCCO1 ZINC000001456988 180868119 /nfs/dbraw/zinc/86/81/19/180868119.db2.gz XYSSQLSRICWXBQ-UONOGXRCSA-N 0 0 310.394 0.699 50 0 DCAARN COCCNC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000002905008 180969643 /nfs/dbraw/zinc/96/96/43/180969643.db2.gz BXWRBIAJVJYIIZ-UHFFFAOYSA-N 0 0 314.407 0.832 50 0 DCAARN COC(=O)CNC(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC000002921605 180969887 /nfs/dbraw/zinc/96/98/87/180969887.db2.gz OZZSYNJNQNMUKX-UHFFFAOYSA-N 0 0 309.347 0.364 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)NCCc2ccccn2)c1 ZINC000003324232 181005525 /nfs/dbraw/zinc/00/55/25/181005525.db2.gz GNIFLSNVHNUQAS-UHFFFAOYSA-N 0 0 319.386 0.962 50 0 DCAARN COC(=O)c1ccc(OCC(=O)NC2CC2)c(C(=O)OC)c1 ZINC000003346177 181009230 /nfs/dbraw/zinc/00/92/30/181009230.db2.gz GPOHJTOQBSGFTJ-UHFFFAOYSA-N 0 0 307.302 0.917 50 0 DCAARN O=C(COC(=O)c1ccc(-n2cnnn2)cc1)N1CCCC1 ZINC000003416982 181017146 /nfs/dbraw/zinc/01/71/46/181017146.db2.gz RJCUAERLUCJQPB-UHFFFAOYSA-N 0 0 301.306 0.442 50 0 DCAARN O=C(CSc1nnnn1-c1ccccc1)N1CCCC1=O ZINC000003435970 181019772 /nfs/dbraw/zinc/01/97/72/181019772.db2.gz WISDEHNLINSFFO-UHFFFAOYSA-N 0 0 303.347 0.903 50 0 DCAARN CCCn1c(N)c(C(=O)CN2CCCC[C@H]2C)c(=O)n(C)c1=O ZINC000003565035 181035626 /nfs/dbraw/zinc/03/56/26/181035626.db2.gz SPXDTWKXOONXED-LLVKDONJSA-N 0 0 322.409 0.596 50 0 DCAARN Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000003885467 181052346 /nfs/dbraw/zinc/05/23/46/181052346.db2.gz AVXOENYLRRSKPG-UHFFFAOYSA-N 0 0 311.407 0.890 50 0 DCAARN COc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)c(OC)c1 ZINC000004122304 181076016 /nfs/dbraw/zinc/07/60/16/181076016.db2.gz VEDYNITXEQCWIV-LLVKDONJSA-N 0 0 308.334 0.938 50 0 DCAARN O=S(=O)(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCO2 ZINC000004324744 181097869 /nfs/dbraw/zinc/09/78/69/181097869.db2.gz ZYLZSBZIBDZVFU-SNVBAGLBSA-N 0 0 317.388 0.087 50 0 DCAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)C1=NNC(=O)CC1 ZINC000004349098 181101388 /nfs/dbraw/zinc/10/13/88/181101388.db2.gz QJTBPQZHXXWNNQ-JTQLQIEISA-N 0 0 315.329 0.773 50 0 DCAARN COCCNC(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000004373462 181103067 /nfs/dbraw/zinc/10/30/67/181103067.db2.gz RKFVSPMLBLISDZ-LLVKDONJSA-N 0 0 307.350 0.746 50 0 DCAARN Cc1ccc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000004386121 181105661 /nfs/dbraw/zinc/10/56/61/181105661.db2.gz WQXMCPGBMYHDJA-UHFFFAOYSA-N 0 0 312.329 0.625 50 0 DCAARN Nc1noc(CCNC(=O)c2cnn(Cc3ccccc3)c2)n1 ZINC000075093102 191417098 /nfs/dbraw/zinc/41/70/98/191417098.db2.gz BEMMWZUVCWYYRQ-UHFFFAOYSA-N 0 0 312.333 0.869 50 0 DCAARN CN1CC[C@H](NC(=O)c2cn(-c3ccccc3Cl)nn2)C1=O ZINC000075143185 191431079 /nfs/dbraw/zinc/43/10/79/191431079.db2.gz BEEVCPSMMSKUEL-JTQLQIEISA-N 0 0 319.752 0.881 50 0 DCAARN COCCCNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000004995894 181187314 /nfs/dbraw/zinc/18/73/14/181187314.db2.gz VKTWUJVVTCZFNI-UHFFFAOYSA-N 0 0 318.370 0.744 50 0 DCAARN CC[C@@H](CO)NC(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000005190759 181215220 /nfs/dbraw/zinc/21/52/20/181215220.db2.gz WJVWWFMRJVWPMP-NWDGAFQWSA-N 0 0 321.377 0.871 50 0 DCAARN COc1cccc(N2C[C@@H](NS(=O)(=O)N(C)C)CC2=O)c1 ZINC000005222017 181218378 /nfs/dbraw/zinc/21/83/78/181218378.db2.gz WJHFIWZNYFAHOM-JTQLQIEISA-N 0 0 313.379 0.197 50 0 DCAARN CCOc1ccc(NC(=O)C[C@H]([NH2+]C[C@H](C)O)C(=O)[O-])cc1 ZINC000005257842 181222924 /nfs/dbraw/zinc/22/29/24/181222924.db2.gz FFFYTLUCYIJLLB-GWCFXTLKSA-N 0 0 310.350 0.838 50 0 DCAARN COC[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000005493911 181249327 /nfs/dbraw/zinc/24/93/27/181249327.db2.gz FBRNDHBHTANQBV-SECBINFHSA-N 0 0 320.798 0.769 50 0 DCAARN Cc1nc2ccc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cc2nc1C ZINC000005507325 181251275 /nfs/dbraw/zinc/25/12/75/181251275.db2.gz DBUVNGSFZDFXLT-VIFPVBQESA-N 0 0 316.317 0.987 50 0 DCAARN COCCn1c(C)cc(C(=O)CN2C(=O)C(=O)N(C)C2=O)c1C ZINC000005629155 181266162 /nfs/dbraw/zinc/26/61/62/181266162.db2.gz LRCIKGNPASVHKS-UHFFFAOYSA-N 0 0 321.333 0.355 50 0 DCAARN NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000005634306 181266869 /nfs/dbraw/zinc/26/68/69/181266869.db2.gz BIGPZNAEIGTYAW-UHFFFAOYSA-N 0 0 315.420 0.834 50 0 DCAARN Cn1c(=O)n(CCNC(=O)c2ccco2)nc1C(F)(F)F ZINC000085555753 192516176 /nfs/dbraw/zinc/51/61/76/192516176.db2.gz WOSGQHBCJYOJEZ-UHFFFAOYSA-N 0 0 304.228 0.624 50 0 DCAARN CN1C[C@H](C(=O)N2CCC(Oc3ncccn3)CC2)CC1=O ZINC000085557118 192516266 /nfs/dbraw/zinc/51/62/66/192516266.db2.gz OGTPNEUUSZFFOZ-LLVKDONJSA-N 0 0 304.350 0.325 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)c3snnc3CC)CCO2)[nH]1 ZINC000089282690 192758098 /nfs/dbraw/zinc/75/80/98/192758098.db2.gz ISYXPSNKWUEMSX-VIFPVBQESA-N 0 0 322.394 0.995 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)c2ccccc2S(C)(=O)=O)CCN1 ZINC000187154762 200069371 /nfs/dbraw/zinc/06/93/71/200069371.db2.gz FXELPRZIGJWSKS-SNVBAGLBSA-N 0 0 318.420 0.073 50 0 DCAARN Cn1c(CCNC(=O)[C@H]2COCCN2)nc2ccc(F)cc21 ZINC000237737481 202342804 /nfs/dbraw/zinc/34/28/04/202342804.db2.gz VTQVNQKBEKIEBI-GFCCVEGCSA-N 0 0 306.341 0.360 50 0 DCAARN Cn1cc(N2CCC[C@H](NS(=O)(=O)c3ccco3)C2)cn1 ZINC000188723263 200294164 /nfs/dbraw/zinc/29/41/64/200294164.db2.gz NBMBHKFLXBUGTN-NSHDSACASA-N 0 0 310.379 0.960 50 0 DCAARN O=C(CN1CCOC1=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000243885758 202477278 /nfs/dbraw/zinc/47/72/78/202477278.db2.gz ACAABDXHGLNFFN-JTNHKYCSSA-N 0 0 305.334 0.462 50 0 DCAARN CCCNC(=O)NC(=O)COC(=O)c1ccc2c(c1)OCCO2 ZINC000005988969 181303757 /nfs/dbraw/zinc/30/37/57/181303757.db2.gz JVQNSRMUFYRQFT-UHFFFAOYSA-N 0 0 322.317 0.850 50 0 DCAARN CCOc1ccccc1OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000005987503 181303798 /nfs/dbraw/zinc/30/37/98/181303798.db2.gz JDQQGHUAUMUBOU-NSHDSACASA-N 0 0 313.375 0.767 50 0 DCAARN O=C(CN1CCOCC1)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000244816851 202500423 /nfs/dbraw/zinc/50/04/23/202500423.db2.gz SPPUSXMQPVYKNP-ULQDDVLXSA-N 0 0 318.417 0.817 50 0 DCAARN NC(=O)C1=NO[C@@H](CNC(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC000370105060 239173165 /nfs/dbraw/zinc/17/31/65/239173165.db2.gz ZFWQDZFVACYGLF-OCCSQVGLSA-N 0 0 316.361 0.402 50 0 DCAARN CCCn1c2nc(C(F)(F)F)n(CCOC)c2c(=O)[nH]c1=O ZINC000006509846 181347815 /nfs/dbraw/zinc/34/78/15/181347815.db2.gz YYLPGCDCVQTOAG-UHFFFAOYSA-N 0 0 320.271 0.962 50 0 DCAARN Cn1cc([C@H](NC(=O)c2csnc2N)[C@H]2C[C@@H](O)C2)cn1 ZINC000244884123 202507136 /nfs/dbraw/zinc/50/71/36/202507136.db2.gz YFRUXGWMITUUBR-POZPLHJXSA-N 0 0 307.379 0.701 50 0 DCAARN O=C1C[C@H](n2nnn(-c3ccc(O)cc3)c2=S)[C@H]2CO[C@@H]1O2 ZINC000006659573 181366310 /nfs/dbraw/zinc/36/63/10/181366310.db2.gz FIGBNIDZYHAHEP-MVWJERBFSA-N 0 0 320.330 0.759 50 0 DCAARN CN(C)S(=O)(=O)c1csc(C(=O)NC[C@H]2CCCO2)c1 ZINC000006680319 181370159 /nfs/dbraw/zinc/37/01/59/181370159.db2.gz XNHAUXSYMQMSSY-SECBINFHSA-N 0 0 318.420 0.907 50 0 DCAARN CS(=O)(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000006740986 181380782 /nfs/dbraw/zinc/38/07/82/181380782.db2.gz SMBVWUQLUXBVEW-UHFFFAOYSA-N 0 0 310.422 0.014 50 0 DCAARN CC(C)c1ncc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3O)c(=O)[nH]1 ZINC000091416951 193053402 /nfs/dbraw/zinc/05/34/02/193053402.db2.gz UYKFPDVIOWYJDG-TXEJJXNPSA-N 0 0 321.377 0.241 50 0 DCAARN COCCC[C@@]1(CO)CCCN(S(=O)(=O)N2CCCC2)C1 ZINC000091445280 193056659 /nfs/dbraw/zinc/05/66/59/193056659.db2.gz KUZOBPVILHDNPT-AWEZNQCLSA-N 0 0 320.455 0.828 50 0 DCAARN Cc1cccnc1N1CCN(C(=O)CCc2nncn2C)CC1 ZINC000091563313 193073937 /nfs/dbraw/zinc/07/39/37/193073937.db2.gz VWRYHKXOOQSYKN-UHFFFAOYSA-N 0 0 314.393 0.800 50 0 DCAARN Cn1cccc1-c1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)[nH]n1 ZINC000091596089 193077481 /nfs/dbraw/zinc/07/74/81/193077481.db2.gz MULUYWRWYBYEFW-JTQLQIEISA-N 0 0 322.390 0.580 50 0 DCAARN COCc1cc(NCc2ccc(S(N)(=O)=O)cc2)ncn1 ZINC000091643974 193084112 /nfs/dbraw/zinc/08/41/12/193084112.db2.gz WGKTWUZGOCLSQA-UHFFFAOYSA-N 0 0 308.363 0.883 50 0 DCAARN COc1nc2c(cc1C(=O)N[C@H]1C=CS(=O)(=O)C1)CCC2 ZINC000091656311 193086124 /nfs/dbraw/zinc/08/61/24/193086124.db2.gz SZMCQAQFANYZDB-JTQLQIEISA-N 0 0 308.359 0.619 50 0 DCAARN COCC[C@@]1(CO)CCCN(C(=O)CCc2cnn(C)c2)C1 ZINC000091663771 193086799 /nfs/dbraw/zinc/08/67/99/193086799.db2.gz FUOUBBGJYIRQFY-INIZCTEOSA-N 0 0 309.410 0.990 50 0 DCAARN C[C@H](NC(=O)CN1C(=O)CNC1=O)c1cn2ccsc2n1 ZINC000091636641 193082956 /nfs/dbraw/zinc/08/29/56/193082956.db2.gz RPATUTLPGCBTGK-ZETCQYMHSA-N 0 0 307.335 0.125 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)NCCOCc1ccccc1 ZINC000091754592 193102382 /nfs/dbraw/zinc/10/23/82/193102382.db2.gz XMWDYLVWMLWLQF-LBPRGKRZSA-N 0 0 305.334 0.308 50 0 DCAARN CCCn1nc(C)c(CNC(=O)CC[C@H]2NC(=O)NC2=O)c1C ZINC000091770526 193105219 /nfs/dbraw/zinc/10/52/19/193105219.db2.gz DJWIYUKOMQQLPJ-GFCCVEGCSA-N 0 0 321.381 0.514 50 0 DCAARN O=C([O-])[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1c1ccncc1 ZINC000091997497 193138470 /nfs/dbraw/zinc/13/84/70/193138470.db2.gz GDGXWOJFFYHWOT-UONOGXRCSA-N 0 0 303.362 0.804 50 0 DCAARN COC(=O)CS[C@H]1CCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000217569062 201518402 /nfs/dbraw/zinc/51/84/02/201518402.db2.gz NWSWYHYJGMQFDX-VIFPVBQESA-N 0 0 319.408 0.089 50 0 DCAARN O=C(NCCS(=O)(=O)N1CCCC1)c1ccc2nccn2c1 ZINC000092097540 193157400 /nfs/dbraw/zinc/15/74/00/193157400.db2.gz WSHZJDMBXTYTCS-UHFFFAOYSA-N 0 0 322.390 0.490 50 0 DCAARN COCC[N@@H+]1C[C@@H]2CN(c3nccnc3C)C[C@]2(C(=O)[O-])C1 ZINC000092097232 193157569 /nfs/dbraw/zinc/15/75/69/193157569.db2.gz UIBWVPFUILEVNK-IUODEOHRSA-N 0 0 306.366 0.254 50 0 DCAARN COCCc1noc([C@H](C)NC(=O)c2[nH]nc(N)c2Cl)n1 ZINC000219083246 201548425 /nfs/dbraw/zinc/54/84/25/201548425.db2.gz JRCHPPZKTSUHQQ-YFKPBYRVSA-N 0 0 314.733 0.708 50 0 DCAARN O=C(CCCn1cccn1)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000252495582 202850491 /nfs/dbraw/zinc/85/04/91/202850491.db2.gz OTXMULQZZANNFR-UHFFFAOYSA-N 0 0 315.377 0.976 50 0 DCAARN O=C(CN1CCOCC1=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000253431733 202888089 /nfs/dbraw/zinc/88/80/89/202888089.db2.gz UDEFOSNJGHUPMM-OAHLLOKOSA-N 0 0 317.389 0.948 50 0 DCAARN Cn1cc(CCC(=O)N2CCC3(CC2)OCCC[C@@H]3O)cn1 ZINC000095382472 193440287 /nfs/dbraw/zinc/44/02/87/193440287.db2.gz LGUNJLHTIYKJFP-AWEZNQCLSA-N 0 0 307.394 0.885 50 0 DCAARN C[C@@]1(O)CCN(C(=O)c2cnc(-c3ccncc3)nc2)C[C@@H]1O ZINC000096152834 193553797 /nfs/dbraw/zinc/55/37/97/193553797.db2.gz SLHPDCCEQXZJFI-XJKSGUPXSA-N 0 0 314.345 0.496 50 0 DCAARN C[C@@H](Cc1ccccc1F)C(=O)NCCCS(N)(=O)=O ZINC000096414318 193626787 /nfs/dbraw/zinc/62/67/87/193626787.db2.gz JDACQYAEHYBMRY-JTQLQIEISA-N 0 0 302.371 0.799 50 0 DCAARN Cc1nn(C)c2sc(C(=O)N3CCS(=O)(=O)CC3)cc12 ZINC000096404134 193620507 /nfs/dbraw/zinc/62/05/07/193620507.db2.gz JGCWOHCMKDEFSF-UHFFFAOYSA-N 0 0 313.404 0.814 50 0 DCAARN Nc1n[nH]c(SCC(=O)Nc2ncc3c(n2)CCCC3=O)n1 ZINC000009287312 181611582 /nfs/dbraw/zinc/61/15/82/181611582.db2.gz CWAZECFVYWSGMO-UHFFFAOYSA-N 0 0 319.350 0.427 50 0 DCAARN Cc1ccc(C(=O)OCc2nc(N)nc(N(C)C)n2)c(O)c1 ZINC000011322058 181688820 /nfs/dbraw/zinc/68/88/20/181688820.db2.gz CCHRDDMSPNRRGV-UHFFFAOYSA-N 0 0 303.322 0.891 50 0 DCAARN Cn1c2sc(C(=O)Nc3cccnc3)cc2c(=O)n(C)c1=O ZINC000012422750 181760710 /nfs/dbraw/zinc/76/07/10/181760710.db2.gz HBBMVPRWOGMUQW-UHFFFAOYSA-N 0 0 316.342 0.946 50 0 DCAARN O=C(COC(=O)Cn1cnc2ccccc21)NC[C@H]1CCCO1 ZINC000012970873 181815657 /nfs/dbraw/zinc/81/56/57/181815657.db2.gz XVJGVGYUGLWVOI-GFCCVEGCSA-N 0 0 317.345 0.875 50 0 DCAARN CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCOCC1 ZINC000014032430 181921403 /nfs/dbraw/zinc/92/14/03/181921403.db2.gz YQIPXOBHEYHKIX-NSHDSACASA-N 0 0 309.391 0.701 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCC2=O)cc1 ZINC000014075966 181923775 /nfs/dbraw/zinc/92/37/75/181923775.db2.gz HUYBVTVEVIPCTQ-GFCCVEGCSA-N 0 0 322.386 0.730 50 0 DCAARN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCN1CCOCC1 ZINC000015773179 182016215 /nfs/dbraw/zinc/01/62/15/182016215.db2.gz BJAPUJPPWIEOPN-INIZCTEOSA-N 0 0 317.389 0.413 50 0 DCAARN CC(C)NC(=O)C(=O)NCCN1CCO[C@@H](c2ccccc2)C1 ZINC000017113413 182075607 /nfs/dbraw/zinc/07/56/07/182075607.db2.gz ZWIPXDJWAGUCOR-OAHLLOKOSA-N 0 0 319.405 0.701 50 0 DCAARN CSc1ncc(CN2CC[C@@H](N3CCOCC3)[C@H](O)C2)cn1 ZINC000019221729 182108206 /nfs/dbraw/zinc/10/82/06/182108206.db2.gz ZFARTHXYYQVBLJ-ZIAGYGMSSA-N 0 0 324.450 0.466 50 0 DCAARN O=C1C[C@H](N2CCN(CCO)CC2)C(=O)N1c1ccc(F)cc1 ZINC000019335212 182117224 /nfs/dbraw/zinc/11/72/24/182117224.db2.gz MUHWOSCKXTZLGL-AWEZNQCLSA-N 0 0 321.352 0.068 50 0 DCAARN CCSc1ncc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)cn1 ZINC000020255352 182200485 /nfs/dbraw/zinc/20/04/85/182200485.db2.gz LFXCTSGUHRFWBQ-KBPBESRZSA-N 0 0 324.450 0.466 50 0 DCAARN COc1ccc(C(=O)NCCN2CCOCC2)c(OC)c1OC ZINC000020365756 182211940 /nfs/dbraw/zinc/21/19/40/182211940.db2.gz QINCJBYUVAQERM-UHFFFAOYSA-N 0 0 324.377 0.774 50 0 DCAARN CC(=O)N1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000020537508 182228753 /nfs/dbraw/zinc/22/87/53/182228753.db2.gz UGQMURMYNZMAHZ-UHFFFAOYSA-N 0 0 300.318 0.640 50 0 DCAARN O=C(NCCN1CCOCC1)c1nc(-c2cccs2)no1 ZINC000020727803 182244083 /nfs/dbraw/zinc/24/40/83/182244083.db2.gz SWUOSHHGSLBXRD-UHFFFAOYSA-N 0 0 308.363 0.860 50 0 DCAARN O=c1ccc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2[nH]1 ZINC000020904168 182253024 /nfs/dbraw/zinc/25/30/24/182253024.db2.gz CIMDJTMMDYKWHC-LLVKDONJSA-N 0 0 308.359 0.985 50 0 DCAARN O=C(NCCO)c1nc(COc2ccc3c(c2)OCO3)no1 ZINC000020744735 182245732 /nfs/dbraw/zinc/24/57/32/182245732.db2.gz CSOKIXXCPAQETP-UHFFFAOYSA-N 0 0 307.262 0.099 50 0 DCAARN OCCN1CCN(Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000020784348 182247394 /nfs/dbraw/zinc/24/73/94/182247394.db2.gz HRVUVUONYZQBES-UHFFFAOYSA-N 0 0 320.368 0.909 50 0 DCAARN COc1ccccc1CC(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000021473259 182274103 /nfs/dbraw/zinc/27/41/03/182274103.db2.gz QDCLJNKDWBXCIJ-UHFFFAOYSA-N 0 0 317.345 0.438 50 0 DCAARN Cn1c2ccccc2n(CC(=O)NCc2ccco2)c(=O)c1=O ZINC000021649638 182282019 /nfs/dbraw/zinc/28/20/19/182282019.db2.gz UADIQFLULBRIQX-UHFFFAOYSA-N 0 0 313.313 0.610 50 0 DCAARN Cc1nn(CC(=O)N[C@H](C)CN2CCOCC2)cc1Cl ZINC000022238447 182314051 /nfs/dbraw/zinc/31/40/51/182314051.db2.gz ICEUXSHRATWQFA-SNVBAGLBSA-N 0 0 300.790 0.682 50 0 DCAARN Cc1nn(CC(=O)N[C@@H](C)CN2CCOCC2)cc1Cl ZINC000022238446 182314155 /nfs/dbraw/zinc/31/41/55/182314155.db2.gz ICEUXSHRATWQFA-JTQLQIEISA-N 0 0 300.790 0.682 50 0 DCAARN CCN(CC)c1ccc(NC(=O)C[C@H]2NC(=O)NC2=O)cn1 ZINC000097915056 193766495 /nfs/dbraw/zinc/76/64/95/193766495.db2.gz RJSMPPZPZXZTRV-SNVBAGLBSA-N 0 0 305.338 0.464 50 0 DCAARN Cc1ccc(CNC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1 ZINC000023142000 182350554 /nfs/dbraw/zinc/35/05/54/182350554.db2.gz MHDUECMUOJSQFH-UHFFFAOYSA-N 0 0 315.373 0.939 50 0 DCAARN Cc1nc(C)c(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)nc1C ZINC000023360372 182358833 /nfs/dbraw/zinc/35/88/33/182358833.db2.gz YXOQXWMMQJYIKQ-HOTGVXAUSA-N 0 0 306.410 0.279 50 0 DCAARN CC(=O)N1CCN(Cc2cc(=O)n3cccc(C)c3n2)CC1 ZINC000023584571 182363954 /nfs/dbraw/zinc/36/39/54/182363954.db2.gz IAGKHAQUTUHOHZ-UHFFFAOYSA-N 0 0 300.362 0.667 50 0 DCAARN O=C(NCc1cccc(Cn2ccnc2)c1)[C@@H]1COCCO1 ZINC000024753117 182390244 /nfs/dbraw/zinc/39/02/44/182390244.db2.gz MDSDNZQXHIGJLT-HNNXBMFYSA-N 0 0 301.346 0.963 50 0 DCAARN CS(=O)(=O)N1CCCN(C(=O)c2ccnc(Cl)c2)CC1 ZINC000024781849 182391127 /nfs/dbraw/zinc/39/11/27/182391127.db2.gz GCLWBNZUFNKWMI-UHFFFAOYSA-N 0 0 317.798 0.843 50 0 DCAARN CN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1CC(=O)N(C)C1=O ZINC000024528421 182382720 /nfs/dbraw/zinc/38/27/20/182382720.db2.gz ZCTPTXGJSQKFKF-LLVKDONJSA-N 0 0 300.318 0.112 50 0 DCAARN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCNC(=O)C1 ZINC000024619502 182385287 /nfs/dbraw/zinc/38/52/87/182385287.db2.gz DASNYQLLHJGDBY-UHFFFAOYSA-N 0 0 310.737 0.612 50 0 DCAARN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)OCC(N)=O)cc1 ZINC000024977945 182396727 /nfs/dbraw/zinc/39/67/27/182396727.db2.gz ZQTQJPGNLJRESL-VIFPVBQESA-N 0 0 314.363 0.406 50 0 DCAARN CCCn1c(S[C@H](C)c2nc(N)nc(N(C)C)n2)n[nH]c1=O ZINC000024975829 182397138 /nfs/dbraw/zinc/39/71/38/182397138.db2.gz BRNYUBAZYNPCDD-SSDOTTSWSA-N 0 0 324.414 0.668 50 0 DCAARN CNC(=O)[C@H]1CCCCN1C(=O)CCNC(=O)C1CCCC1 ZINC000025301519 182408161 /nfs/dbraw/zinc/40/81/61/182408161.db2.gz LTBWSEXFGJIVTG-CYBMUJFWSA-N 0 0 309.410 0.810 50 0 DCAARN Cc1cc(=O)oc(C)c1C(=O)OCC(=O)NC(=O)NC(C)C ZINC000026010418 182428601 /nfs/dbraw/zinc/42/86/01/182428601.db2.gz HLZUAUDLUBGWQP-UHFFFAOYSA-N 0 0 310.306 0.648 50 0 DCAARN CCOC(=O)C1=C(CN2C[C@H](C)OC[C@@H]2C)NC(=O)N[C@@H]1C ZINC000027642606 182485097 /nfs/dbraw/zinc/48/50/97/182485097.db2.gz GMQLJFHVJCXQHU-GARJFASQSA-N 0 0 311.382 0.614 50 0 DCAARN CC(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(F)c2)C1 ZINC000027672215 182487589 /nfs/dbraw/zinc/48/75/89/182487589.db2.gz OVFPNPNXDMNAAR-GFCCVEGCSA-N 0 0 321.352 0.739 50 0 DCAARN Cc1ccc(OCC(=O)OCC(=O)N2CCNC(=O)C2)cc1C ZINC000028209386 182511458 /nfs/dbraw/zinc/51/14/58/182511458.db2.gz HEMXZTZHEOELDL-UHFFFAOYSA-N 0 0 320.345 0.184 50 0 DCAARN O=C(NCCCn1cccn1)c1cnc2sccn2c1=O ZINC000028573354 182529923 /nfs/dbraw/zinc/52/99/23/182529923.db2.gz FINKJMQLBDHXKX-UHFFFAOYSA-N 0 0 303.347 0.773 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000029202369 182555550 /nfs/dbraw/zinc/55/55/50/182555550.db2.gz RMXQKGNYVKDNHY-RYUDHWBXSA-N 0 0 304.412 0.486 50 0 DCAARN C[C@@H](c1ccc(OC(F)(F)F)cc1)N(CC(N)=O)CC(N)=O ZINC000031469794 296229620 /nfs/dbraw/zinc/22/96/20/296229620.db2.gz SWVDVVMBENAZQR-QMMMGPOBSA-N 0 0 319.283 0.919 50 0 DCAARN Cn1cnnc1CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000032778056 182662983 /nfs/dbraw/zinc/66/29/83/182662983.db2.gz GTNGBGBVBKUDNA-UHFFFAOYSA-N 0 0 324.362 0.455 50 0 DCAARN O=C(Cn1nc(C(=O)N2CCCC2)ccc1=O)N1CCCC1 ZINC000035527442 182779081 /nfs/dbraw/zinc/77/90/81/182779081.db2.gz YZSVMQFEWQJPNM-UHFFFAOYSA-N 0 0 304.350 0.102 50 0 DCAARN Cn1cc(C(=O)NCCn2nc(-c3ccco3)ccc2=O)nn1 ZINC000038489100 183000319 /nfs/dbraw/zinc/00/03/19/183000319.db2.gz PPWKWTKKCXDUFM-UHFFFAOYSA-N 0 0 314.305 0.062 50 0 DCAARN Cc1cc(C)n(CCNC(=O)C(=O)Nc2ccccc2O)n1 ZINC000040266441 183049284 /nfs/dbraw/zinc/04/92/84/183049284.db2.gz XQCRFESXSAFLRP-UHFFFAOYSA-N 0 0 302.334 0.960 50 0 DCAARN COc1ccc(NC(=O)C(=O)NCCn2nccc2C)cn1 ZINC000040288065 183052030 /nfs/dbraw/zinc/05/20/30/183052030.db2.gz WZRSGXXDPANTLO-UHFFFAOYSA-N 0 0 303.322 0.350 50 0 DCAARN CN1N=C(C(=O)N2CCN(Cc3cccnc3)CC2)CCC1=O ZINC000040481034 183076772 /nfs/dbraw/zinc/07/67/72/183076772.db2.gz GGSBFLGSKAILQW-UHFFFAOYSA-N 0 0 315.377 0.334 50 0 DCAARN O=S(=O)(NC[C@H]1COc2ccccc2C1)N1CCOCC1 ZINC000040488250 183078483 /nfs/dbraw/zinc/07/84/83/183078483.db2.gz NCEYLTPERISGSK-LBPRGKRZSA-N 0 0 312.391 0.404 50 0 DCAARN CC(C)(C)c1noc(CN2CCN(S(C)(=O)=O)CC2)n1 ZINC000040496229 183081375 /nfs/dbraw/zinc/08/13/75/183081375.db2.gz OMLQCEZFVQUNCK-UHFFFAOYSA-N 0 0 302.400 0.444 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000040497655 183081712 /nfs/dbraw/zinc/08/17/12/183081712.db2.gz JZRLNKTTYFCHKX-GWCFXTLKSA-N 0 0 312.391 0.892 50 0 DCAARN CN(CC(=O)Nc1ccc(N2CCCC2)nc1)S(C)(=O)=O ZINC000040510419 183086686 /nfs/dbraw/zinc/08/66/86/183086686.db2.gz WXUBXNWPEGVSDD-UHFFFAOYSA-N 0 0 312.395 0.512 50 0 DCAARN COCCCNC(=O)c1cn(-c2ccc3c(c2)OCCO3)nn1 ZINC000040510359 183087060 /nfs/dbraw/zinc/08/70/60/183087060.db2.gz INIGBDXJFGIUMU-UHFFFAOYSA-N 0 0 318.333 0.805 50 0 DCAARN O=C(NCCNc1ncccn1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000040535555 183095780 /nfs/dbraw/zinc/09/57/80/183095780.db2.gz OHNYMIISJNORAY-CYBMUJFWSA-N 0 0 312.329 0.786 50 0 DCAARN O=C(NCCCN1CCOCC1)c1cnn(-c2ccccc2)n1 ZINC000040460928 183069541 /nfs/dbraw/zinc/06/95/41/183069541.db2.gz XIWPIOFZCPJWCA-UHFFFAOYSA-N 0 0 315.377 0.719 50 0 DCAARN O=C(NCC1CC1)[C@H]1CCCN(Cc2nnnn2C2CC2)C1 ZINC000040540624 183096836 /nfs/dbraw/zinc/09/68/36/183096836.db2.gz RMBYZOWSSCKWRH-LBPRGKRZSA-N 0 0 304.398 0.746 50 0 DCAARN COCC(=O)N1CCN(C(=O)c2cccc(COC)c2)CC1 ZINC000040542320 183098636 /nfs/dbraw/zinc/09/86/36/183098636.db2.gz NBPGNIHYGBSVID-UHFFFAOYSA-N 0 0 306.362 0.764 50 0 DCAARN CCCCOc1ccc(S(=O)(=O)N(CCO)CCO)cc1 ZINC000041096553 183165623 /nfs/dbraw/zinc/16/56/23/183165623.db2.gz DAYIZPFUYOLSFU-UHFFFAOYSA-N 0 0 317.407 0.841 50 0 DCAARN NS(=O)(=O)c1ccc(CCC(=O)NC[C@H]2CCOC2)cc1 ZINC000041373981 183187389 /nfs/dbraw/zinc/18/73/89/183187389.db2.gz DIEJDFULIFJLDJ-GFCCVEGCSA-N 0 0 312.391 0.419 50 0 DCAARN NS(=O)(=O)c1ccc(CCC(=O)NC[C@@H]2CCOC2)cc1 ZINC000041373978 183187591 /nfs/dbraw/zinc/18/75/91/183187591.db2.gz DIEJDFULIFJLDJ-LBPRGKRZSA-N 0 0 312.391 0.419 50 0 DCAARN Cc1ccsc1CN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000041776314 183219035 /nfs/dbraw/zinc/21/90/35/183219035.db2.gz WHUKUUACENAXCV-UHFFFAOYSA-N 0 0 307.375 0.576 50 0 DCAARN O=C(NCCc1cn2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000041902689 183224516 /nfs/dbraw/zinc/22/45/16/183224516.db2.gz CHEVAJXSFLFFJG-LLVKDONJSA-N 0 0 307.375 0.428 50 0 DCAARN CCCNC(=O)[C@H](C)NC(=O)[C@H]1CCCN(C(=O)N(C)C)C1 ZINC000042467733 183273469 /nfs/dbraw/zinc/27/34/69/183273469.db2.gz XHYQTEJKGRPLHG-RYUDHWBXSA-N 0 0 312.414 0.411 50 0 DCAARN COC(=O)c1ccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000042383439 183262413 /nfs/dbraw/zinc/26/24/13/183262413.db2.gz QPHNAFLDZBBEHU-JTQLQIEISA-N 0 0 311.359 0.638 50 0 DCAARN O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1cccnc1 ZINC000042394556 183263691 /nfs/dbraw/zinc/26/36/91/183263691.db2.gz WYFCIRSYNQDMAA-LSDHHAIUSA-N 0 0 305.378 0.549 50 0 DCAARN Cn1ncc2c1ncn(C[C@@H](O)COCc1ccccc1)c2=O ZINC000042757789 183306304 /nfs/dbraw/zinc/30/63/04/183306304.db2.gz LUEFDMXOCKGYBV-CYBMUJFWSA-N 0 0 314.345 0.708 50 0 DCAARN CC(C)CO[C@@H](C)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000042723722 183301700 /nfs/dbraw/zinc/30/17/00/183301700.db2.gz MTHLTUDIHIJSAJ-STQMWFEESA-N 0 0 320.455 0.978 50 0 DCAARN COc1ccc([C@@H](O)CNC(=O)NCCn2ccnc2)cc1 ZINC000043311130 183354406 /nfs/dbraw/zinc/35/44/06/183354406.db2.gz IWKHNGIPVYJRPF-AWEZNQCLSA-N 0 0 304.350 0.925 50 0 DCAARN Cc1cc(NC(=O)NC2CCN(S(C)(=O)=O)CC2)n(C)n1 ZINC000043433085 183362379 /nfs/dbraw/zinc/36/23/79/183362379.db2.gz QDYQHMMSBSKCMD-UHFFFAOYSA-N 0 0 315.399 0.274 50 0 DCAARN O=C(NCCc1nnc2ccccn21)N[C@H]1CCCCNC1=O ZINC000043882134 183388582 /nfs/dbraw/zinc/38/85/82/183388582.db2.gz NFDVMLPZSZYPBR-NSHDSACASA-N 0 0 316.365 0.240 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCO2 ZINC000044717852 183434720 /nfs/dbraw/zinc/43/47/20/183434720.db2.gz WGVBAYKYPVTXLG-JTQLQIEISA-N 0 0 311.359 0.622 50 0 DCAARN Cc1cc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)no1 ZINC000044889799 183447770 /nfs/dbraw/zinc/44/77/70/183447770.db2.gz STEAANXYTVJFNK-UHFFFAOYSA-N 0 0 310.335 0.952 50 0 DCAARN COC[C@@H](C)NC(=O)CS(=O)(=O)c1cc(F)ccc1F ZINC000044947476 183464375 /nfs/dbraw/zinc/46/43/75/183464375.db2.gz ZQKKPDOBENABLU-MRVPVSSYSA-N 0 0 307.318 0.890 50 0 DCAARN Cc1nsc(N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)n1 ZINC000274067011 211324686 /nfs/dbraw/zinc/32/46/86/211324686.db2.gz JYLCRPDVWMKXNZ-UHFFFAOYSA-N 0 0 312.395 0.837 50 0 DCAARN CSc1nsc(NC(=O)N2CCC[C@H](C(N)=O)C2)n1 ZINC000284736336 218155263 /nfs/dbraw/zinc/15/52/63/218155263.db2.gz RJUUNMWREUCHCG-LURJTMIESA-N 0 0 301.397 0.989 50 0 DCAARN CCN(CC)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000046228737 183557996 /nfs/dbraw/zinc/55/79/96/183557996.db2.gz DIOBQDVICLIBAD-UHFFFAOYSA-N 0 0 309.391 0.936 50 0 DCAARN CCn1cnnc1CNC(=O)c1ccc(CNC(C)=O)cc1 ZINC000047021308 183578184 /nfs/dbraw/zinc/57/81/84/183578184.db2.gz HQTLVDNFGGLZPV-UHFFFAOYSA-N 0 0 301.350 0.864 50 0 DCAARN CNC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000047652076 183600341 /nfs/dbraw/zinc/60/03/41/183600341.db2.gz QDQLMMBHJQBJQQ-VIFPVBQESA-N 0 0 314.363 0.261 50 0 DCAARN C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)S(=O)(=O)c1nncn1C ZINC000106083784 194184960 /nfs/dbraw/zinc/18/49/60/194184960.db2.gz KRDAWJXQCFOKID-MXWKQRLJSA-N 0 0 314.411 0.482 50 0 DCAARN O=C(N[C@H]1CCCCNC1=O)c1ccnc(-n2cncn2)c1 ZINC000053807451 183912834 /nfs/dbraw/zinc/91/28/34/183912834.db2.gz QEAQLAFWHNTASE-NSHDSACASA-N 0 0 300.322 0.061 50 0 DCAARN NC(=O)CC1CCN(C(=O)CCCNc2ncccn2)CC1 ZINC000053890527 183915111 /nfs/dbraw/zinc/91/51/11/183915111.db2.gz WNJHVYCJEHPEDM-UHFFFAOYSA-N 0 0 305.382 0.783 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(COn2nnc3ccccc32)o1 ZINC000058085144 184073570 /nfs/dbraw/zinc/07/35/70/184073570.db2.gz AXAMSGZCXUQQFS-UHFFFAOYSA-N 0 0 322.346 0.903 50 0 DCAARN NC(=O)Cn1ccc(NCC(=O)Nc2cc(F)ccc2F)n1 ZINC000058171147 184083771 /nfs/dbraw/zinc/08/37/71/184083771.db2.gz QWUHOAYOIFKTJI-UHFFFAOYSA-N 0 0 309.276 0.697 50 0 DCAARN CCN1C(=O)C(=O)N(CCOc2cccc(C(=O)OC)c2)C1=O ZINC000058161942 184082686 /nfs/dbraw/zinc/08/26/86/184082686.db2.gz AADCBFNUSPDXNA-UHFFFAOYSA-N 0 0 320.301 0.663 50 0 DCAARN COCCCNC(=O)Cn1nnc(-c2ccc(F)c(C)c2)n1 ZINC000058291124 184100999 /nfs/dbraw/zinc/10/09/99/184100999.db2.gz GJBQBHABWHECTL-UHFFFAOYSA-N 0 0 307.329 0.940 50 0 DCAARN COCCOc1ccccc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000058314702 184104451 /nfs/dbraw/zinc/10/44/51/184104451.db2.gz NVTCLYSRVNDJDC-ZDUSSCGKSA-N 0 0 308.378 0.772 50 0 DCAARN COc1cccc(CC(=O)N2CCN(CCC(N)=O)CC2)c1 ZINC000058332464 184106536 /nfs/dbraw/zinc/10/65/36/184106536.db2.gz DDRQZHOIJSKZNE-UHFFFAOYSA-N 0 0 305.378 0.257 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@@H](c1ccccc1)N1CCSCC1 ZINC000058783716 184128865 /nfs/dbraw/zinc/12/88/65/184128865.db2.gz BRJUXKOSYVAICK-OAHLLOKOSA-N 0 0 321.446 0.981 50 0 DCAARN O=C(CNC(=O)NCC(=O)N1CCCCC1)NC1CCCCC1 ZINC000058570071 184122419 /nfs/dbraw/zinc/12/24/19/184122419.db2.gz ACKQXJJWZHMKIK-UHFFFAOYSA-N 0 0 324.425 0.747 50 0 DCAARN CN(C1CCCCC1)S(=O)(=O)N1CCCN(C(N)=O)CC1 ZINC000060363722 184147066 /nfs/dbraw/zinc/14/70/66/184147066.db2.gz MJCOMTUUNCDOFW-UHFFFAOYSA-N 0 0 318.443 0.582 50 0 DCAARN O=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)NC1CC1 ZINC000061798328 184187863 /nfs/dbraw/zinc/18/78/63/184187863.db2.gz AIHSBGROZCKPGX-UHFFFAOYSA-N 0 0 322.453 0.285 50 0 DCAARN CCc1cc(=O)[nH]c(NCCNc2nc(CC)cc(=O)[nH]2)n1 ZINC000061997433 184200757 /nfs/dbraw/zinc/20/07/57/184200757.db2.gz AEOUHQABJNWOOM-UHFFFAOYSA-N 0 0 304.354 0.502 50 0 DCAARN C[C@](O)(CNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1 ZINC000062021743 184201957 /nfs/dbraw/zinc/20/19/57/184201957.db2.gz OZYCRXSVMAUVAE-AWEZNQCLSA-N 0 0 313.375 0.897 50 0 DCAARN COCCNC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 ZINC000065364779 184328693 /nfs/dbraw/zinc/32/86/93/184328693.db2.gz OKNWSMICBNQRDO-UHFFFAOYSA-N 0 0 300.380 0.767 50 0 DCAARN COc1ccc(OC)c(N([C@H](C)C(N)=O)S(C)(=O)=O)c1 ZINC000065363176 184328813 /nfs/dbraw/zinc/32/88/13/184328813.db2.gz GBNHFBZYCOYKQE-MRVPVSSYSA-N 0 0 302.352 0.344 50 0 DCAARN Cc1noc2ncc(C(=O)NCCCNS(C)(=O)=O)cc12 ZINC000065380218 184331812 /nfs/dbraw/zinc/33/18/12/184331812.db2.gz XWRQGUKCNPJKIG-UHFFFAOYSA-N 0 0 312.351 0.200 50 0 DCAARN COc1ccccc1C(=O)NCC1=CCN(CC(N)=O)CC1 ZINC000065383720 184332479 /nfs/dbraw/zinc/33/24/79/184332479.db2.gz RWCMFQNDZIZIGY-UHFFFAOYSA-N 0 0 303.362 0.542 50 0 DCAARN Cn1ncc2c1nc(CN1CCN(CC(F)F)CC1)[nH]c2=O ZINC000065412396 184341013 /nfs/dbraw/zinc/34/10/13/184341013.db2.gz ZXIDGAMQLTXYPH-UHFFFAOYSA-N 0 0 312.324 0.039 50 0 DCAARN CC(=O)c1ccc(C(=O)N2CCn3c(C(N)=O)cnc3C2)s1 ZINC000065421440 184341972 /nfs/dbraw/zinc/34/19/72/184341972.db2.gz WLUWADMMKGQGRK-UHFFFAOYSA-N 0 0 318.358 0.902 50 0 DCAARN CN(C)c1ncnc2c1CN(C[C@H](O)Cn1cccn1)CC2 ZINC000065453742 184346928 /nfs/dbraw/zinc/34/69/28/184346928.db2.gz RKZDKUIWAPXBIW-LBPRGKRZSA-N 0 0 302.382 0.158 50 0 DCAARN NC(=O)[C@@H](CNC(=O)c1cnsn1)Cc1ccc(F)cc1 ZINC000065463684 184349280 /nfs/dbraw/zinc/34/92/80/184349280.db2.gz WFUDBTYFRKPQGE-SECBINFHSA-N 0 0 308.338 0.751 50 0 DCAARN O=C(N1CCN2CCNC(=O)[C@@H]2C1)C1(c2ccccc2F)CC1 ZINC000065496807 184354583 /nfs/dbraw/zinc/35/45/83/184354583.db2.gz DCTQYLKNJNRFSF-AWEZNQCLSA-N 0 0 317.364 0.500 50 0 DCAARN CN(CC(=O)N1CCN2CCN(C)C(=O)[C@@H]2C1)c1ccccc1 ZINC000065403906 184337024 /nfs/dbraw/zinc/33/70/24/184337024.db2.gz AYOSIHGZJWCBSV-HNNXBMFYSA-N 0 0 316.405 0.108 50 0 DCAARN CN1C[C@H](c2n[nH]c(=O)n2CCc2ccccc2F)CC1=O ZINC000065406738 184338460 /nfs/dbraw/zinc/33/84/60/184338460.db2.gz VUWFHLAVRLWNJR-LLVKDONJSA-N 0 0 304.325 0.899 50 0 DCAARN CN(Cc1n[nH]c(=O)n1CC1CCCCC1)S(C)(=O)=O ZINC000065527557 184360141 /nfs/dbraw/zinc/36/01/41/184360141.db2.gz ANLAJHNZGKIWHV-UHFFFAOYSA-N 0 0 302.400 0.543 50 0 DCAARN O=C1CN(CCOc2ccccc2)C(=O)[C@@H]2C[C@H](O)CCN12 ZINC000065531929 184362056 /nfs/dbraw/zinc/36/20/56/184362056.db2.gz WRMPBJCLZXXSNL-OCCSQVGLSA-N 0 0 304.346 0.260 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCCN1CC(=O)NC1CCCC1 ZINC000065576840 184368008 /nfs/dbraw/zinc/36/80/08/184368008.db2.gz QUBCOGNMHNVHSH-CYBMUJFWSA-N 0 0 317.455 0.449 50 0 DCAARN O=C(Cn1cc(-c2ccccc2)cn1)N[C@@H]1CCS(=O)(=O)C1 ZINC000065584818 184368616 /nfs/dbraw/zinc/36/86/16/184368616.db2.gz BUBIVIASVTUURR-CQSZACIVSA-N 0 0 319.386 0.853 50 0 DCAARN COC[C@@]1(C)NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O ZINC000066084234 184387938 /nfs/dbraw/zinc/38/79/38/184387938.db2.gz GLVFCLMVXBIAGB-MRXNPFEDSA-N 0 0 319.361 0.602 50 0 DCAARN COc1ccccc1COC[C@@H](O)CN1C(=O)CN(C)C1=O ZINC000066237366 184398373 /nfs/dbraw/zinc/39/83/73/184398373.db2.gz ABYSSMSXUUVEBV-LBPRGKRZSA-N 0 0 308.334 0.467 50 0 DCAARN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](n2cccn2)C1 ZINC000069378078 184510970 /nfs/dbraw/zinc/51/09/70/184510970.db2.gz OECQACBJHCSRAP-STQMWFEESA-N 0 0 308.407 0.968 50 0 DCAARN CCNC(=O)[C@H]1CCCN(c2ncc(S(N)(=O)=O)s2)C1 ZINC000069535513 184524207 /nfs/dbraw/zinc/52/42/07/184524207.db2.gz OQUYRWURYJNUTB-QMMMGPOBSA-N 0 0 318.424 0.143 50 0 DCAARN COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC000069527558 184522638 /nfs/dbraw/zinc/52/26/38/184522638.db2.gz XDTFXSQLKZBTKY-LBPRGKRZSA-N 0 0 305.334 0.972 50 0 DCAARN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C)C1 ZINC000248044934 296394866 /nfs/dbraw/zinc/39/48/66/296394866.db2.gz WHEOIXQWYFVLDZ-NEPJUHHUSA-N 0 0 303.428 0.516 50 0 DCAARN Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2cc(F)c[nH]2)cn1 ZINC000349619123 254288890 /nfs/dbraw/zinc/28/88/90/254288890.db2.gz XQPILZRBVIGJER-GTJPDFRWSA-N 0 0 310.354 0.833 50 0 DCAARN CC(C)[C@H](O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000351642329 254355935 /nfs/dbraw/zinc/35/59/35/254355935.db2.gz UZKQLEQPPZAUQS-LBPRGKRZSA-N 0 0 316.352 0.939 50 0 DCAARN OCCCN1CCN(c2ncc(Br)cn2)CC1 ZINC000045944820 285254140 /nfs/dbraw/zinc/25/41/40/285254140.db2.gz QEOBLVOFJIKOIM-UHFFFAOYSA-N 0 0 301.188 0.744 50 0 DCAARN O=C(CCn1cnnn1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000524734559 257213146 /nfs/dbraw/zinc/21/31/46/257213146.db2.gz QJVFEUAQBVZRIV-UHFFFAOYSA-N 0 0 318.728 0.936 50 0 DCAARN CCc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC(N)=O)ccn1 ZINC000222886039 257274461 /nfs/dbraw/zinc/27/44/61/257274461.db2.gz BUWDGOPHCCTFCE-OLZOCXBDSA-N 0 0 307.350 0.033 50 0 DCAARN C[C@H](O)CNS(=O)(=O)CC1CN(C(=O)c2cccs2)C1 ZINC000521398258 257240597 /nfs/dbraw/zinc/24/05/97/257240597.db2.gz OEYNWXUZZAYVHP-VIFPVBQESA-N 0 0 318.420 0.120 50 0 DCAARN Cc1cc(C(=O)N2CCC[C@@](O)(CO)CC2)c(=O)n(C)c1C ZINC000426739151 257243872 /nfs/dbraw/zinc/24/38/72/257243872.db2.gz ZHFYHGGFRJMOEP-INIZCTEOSA-N 0 0 308.378 0.352 50 0 DCAARN NS(=O)(=O)C[C@H]1CCN(C(=O)C2Cc3ccccc3C2)C1 ZINC000426640360 257245326 /nfs/dbraw/zinc/24/53/26/257245326.db2.gz GGVZNVJJONFCBX-NSHDSACASA-N 0 0 308.403 0.538 50 0 DCAARN O=C(N[C@@H]1CCCN(c2cnccn2)C1)c1cccn2cnnc12 ZINC000426581017 257246366 /nfs/dbraw/zinc/24/63/66/257246366.db2.gz MTDRUJCHGYVHJY-GFCCVEGCSA-N 0 0 323.360 0.918 50 0 DCAARN CCn1ncnc1[C@@H](NC(=O)c1ccc2nnnn2c1)C1CC1 ZINC000426552098 257246592 /nfs/dbraw/zinc/24/65/92/257246592.db2.gz SGKRYGZMAMZMCE-LBPRGKRZSA-N 0 0 312.337 0.617 50 0 DCAARN COCC[NH+]1CCC(C(=O)NCCn2cnc(C)c2C)CC1 ZINC000426548402 257247088 /nfs/dbraw/zinc/24/70/88/257247088.db2.gz CAUMHMSDBWKPTE-UHFFFAOYSA-N 0 0 308.426 0.975 50 0 DCAARN O=C(Cn1ccnn1)N[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000426496649 257248865 /nfs/dbraw/zinc/24/88/65/257248865.db2.gz GHKLILOOADGUSR-CQSZACIVSA-N 0 0 300.366 0.454 50 0 DCAARN CC(C)[C@@H](Oc1ccccc1)C(=O)N1CC2(C1)CNC(=O)N2 ZINC000426472992 257249123 /nfs/dbraw/zinc/24/91/23/257249123.db2.gz UQKNIDVVQIFPNI-CYBMUJFWSA-N 0 0 303.362 0.984 50 0 DCAARN CN1CCCNC(=O)C12CCN(C(=O)C(=O)c1ccco1)CC2 ZINC000426488233 257249570 /nfs/dbraw/zinc/24/95/70/257249570.db2.gz MKZYIIQVPSPUBE-UHFFFAOYSA-N 0 0 319.361 0.275 50 0 DCAARN Cc1n[nH]c(CCC(=O)NC2CC[NH+](CC(=O)[O-])CC2)c1C ZINC000426487506 257249591 /nfs/dbraw/zinc/24/95/91/257249591.db2.gz QTYLSXIMEPFISS-UHFFFAOYSA-N 0 0 308.382 0.624 50 0 DCAARN Cn1cnnc1CCC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000426442700 257250561 /nfs/dbraw/zinc/25/05/61/257250561.db2.gz RCUPIEKWWIEIPS-LBPRGKRZSA-N 0 0 315.381 0.323 50 0 DCAARN CC(C)n1cnnc1CN1CC[C@@H](Nc2ncccn2)[C@H](O)C1 ZINC000426414867 257250811 /nfs/dbraw/zinc/25/08/11/257250811.db2.gz ZJDGQFYKODJALN-CHWSQXEVSA-N 0 0 317.397 0.696 50 0 DCAARN COCCc1noc([C@@H](C)NC(=O)N(C)Cc2cc[nH]n2)n1 ZINC000426399153 257251527 /nfs/dbraw/zinc/25/15/27/257251527.db2.gz CMZHKNIBPABDOO-SECBINFHSA-N 0 0 308.342 0.884 50 0 DCAARN C[C@H](CCC(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCN(C)CC1 ZINC000426379594 257253142 /nfs/dbraw/zinc/25/31/42/257253142.db2.gz CGTCAZRAIDQTDM-CYBMUJFWSA-N 0 0 311.426 0.916 50 0 DCAARN CN1C(=O)C(=O)N(CC(=O)N[C@H]2CCOc3ccccc32)C1=O ZINC000014076408 257268587 /nfs/dbraw/zinc/26/85/87/257268587.db2.gz VCBOAEZNKDUQCO-JTQLQIEISA-N 0 0 317.301 0.047 50 0 DCAARN O=C(CCCn1cncn1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000071841670 184865863 /nfs/dbraw/zinc/86/58/63/184865863.db2.gz DHHSCYGVRXXYMH-LBPRGKRZSA-N 0 0 306.370 0.075 50 0 DCAARN COC(=O)[C@H](C)NC(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000069616844 184825200 /nfs/dbraw/zinc/82/52/00/184825200.db2.gz UGAMYGFGGCECEH-JTQLQIEISA-N 0 0 310.325 0.954 50 0 DCAARN COc1ccc2oc(CNC(=O)[C@H]3CCS(=O)(=O)C3)nc2c1 ZINC000299791588 533355630 /nfs/dbraw/zinc/35/56/30/533355630.db2.gz DJZMLLXBNIFBAS-VIFPVBQESA-N 0 0 324.358 0.887 50 0 DCAARN CO[C@]12CCN(C(=O)CCCn3cncn3)[C@H]1C[C@H](O)CC2 ZINC000299754943 533382018 /nfs/dbraw/zinc/38/20/18/533382018.db2.gz DAOFXAHAGBOXJR-VNHYZAJKSA-N 0 0 308.382 0.589 50 0 DCAARN Cc1nnc(NC(=O)CCCN2C(=O)CN(C)C2=O)n1C1CC1 ZINC000285724187 131196025 /nfs/dbraw/zinc/19/60/25/131196025.db2.gz FSZYPERSHCNKOB-UHFFFAOYSA-N 0 0 320.353 0.534 50 0 DCAARN Cc1ccc(N2N=C(C(=O)Nc3cnn(C)c3)NCC2=O)cc1 ZINC000025310521 134662801 /nfs/dbraw/zinc/66/28/01/134662801.db2.gz XWIUXBUDTMAAPN-UHFFFAOYSA-N 0 0 312.333 0.617 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000008169494 395684245 /nfs/dbraw/zinc/68/42/45/395684245.db2.gz VFDPNXMBWYSZEM-UHFFFAOYSA-N 0 0 301.343 0.935 50 0 DCAARN CN(C)C(=O)CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000008359415 395684514 /nfs/dbraw/zinc/68/45/14/395684514.db2.gz BSNZIYZQFDPOJO-UHFFFAOYSA-N 0 0 313.398 0.838 50 0 DCAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000008774677 395684883 /nfs/dbraw/zinc/68/48/83/395684883.db2.gz QPMHVORAEDGKBT-UHFFFAOYSA-N 0 0 320.436 0.967 50 0 DCAARN O=C(CNC(=O)c1ccco1)Nn1cnc2ccccc2c1=O ZINC000009741387 395685630 /nfs/dbraw/zinc/68/56/30/395685630.db2.gz VCZRVVJXUIGBKG-UHFFFAOYSA-N 0 0 312.285 0.490 50 0 DCAARN COc1cc(C(C)=O)ccc1OCc1cc(=O)n(C)c(=O)n1C ZINC000011393993 395686356 /nfs/dbraw/zinc/68/63/56/395686356.db2.gz FHASOXZAIUIZCR-UHFFFAOYSA-N 0 0 318.329 0.874 50 0 DCAARN O=c1[nH]c2ccc(S(=O)(=O)N3CCSCC3)cc2o1 ZINC000011689637 395686858 /nfs/dbraw/zinc/68/68/58/395686858.db2.gz LOZZSUUTDZTCRE-UHFFFAOYSA-N 0 0 300.361 0.859 50 0 DCAARN CC(=O)c1ccc(S(=O)(=O)NCCn2ncccc2=O)cc1 ZINC000011856364 395686894 /nfs/dbraw/zinc/68/68/94/395686894.db2.gz XEVIGGCCWAWLIU-UHFFFAOYSA-N 0 0 321.358 0.424 50 0 DCAARN O=c1cccnn1CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000011856358 395686930 /nfs/dbraw/zinc/68/69/30/395686930.db2.gz PBWRAFHMWKGGMW-UHFFFAOYSA-N 0 0 313.766 0.875 50 0 DCAARN O=C(Cn1cccn1)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000011873606 395687008 /nfs/dbraw/zinc/68/70/08/395687008.db2.gz HVZHRMIEQWVCFO-CQSZACIVSA-N 0 0 316.336 0.940 50 0 DCAARN CC[C@@H](C)NC(=O)COC(=O)c1cccc(-n2cnnn2)c1 ZINC000012096036 395687171 /nfs/dbraw/zinc/68/71/71/395687171.db2.gz JMAUDQHDQXWOFL-SNVBAGLBSA-N 0 0 303.322 0.734 50 0 DCAARN CC1(C)Oc2ccc(S(=O)(=O)NCCO)cc2NC1=O ZINC000012187643 395687273 /nfs/dbraw/zinc/68/72/73/395687273.db2.gz GHKNIAIMFGAYOA-UHFFFAOYSA-N 0 0 300.336 0.067 50 0 DCAARN CCOC(=O)CCc1c2c([nH]c1C(=O)OCC)CNC(=O)C2 ZINC000012367617 395687401 /nfs/dbraw/zinc/68/74/01/395687401.db2.gz YGAFKTBTMCIILH-UHFFFAOYSA-N 0 0 308.334 0.859 50 0 DCAARN COc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1C ZINC000012442717 395687590 /nfs/dbraw/zinc/68/75/90/395687590.db2.gz MVOUAZHUGZXEPT-UHFFFAOYSA-N 0 0 300.318 0.491 50 0 DCAARN COc1ccccc1N1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1 ZINC000012533622 395687755 /nfs/dbraw/zinc/68/77/55/395687755.db2.gz JEJXAPFWSCTOLM-UHFFFAOYSA-N 0 0 302.334 0.674 50 0 DCAARN Cn1ncc2c1ncnc2NCc1ccc(S(N)(=O)=O)s1 ZINC000012486107 395687779 /nfs/dbraw/zinc/68/77/79/395687779.db2.gz CDRZQDDGRLRYTP-UHFFFAOYSA-N 0 0 324.391 0.684 50 0 DCAARN COC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1C ZINC000012697667 395687901 /nfs/dbraw/zinc/68/79/01/395687901.db2.gz OIQYDAVBDYALKB-SECBINFHSA-N 0 0 314.363 0.335 50 0 DCAARN O=C(NC1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012778596 395688000 /nfs/dbraw/zinc/68/80/00/395688000.db2.gz FCNTXAZGTUOTCW-UHFFFAOYSA-N 0 0 309.391 0.865 50 0 DCAARN C[C@H](OC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)NC1CC1 ZINC000012785696 395688013 /nfs/dbraw/zinc/68/80/13/395688013.db2.gz QDCMIZLUDYGDBV-QMMMGPOBSA-N 0 0 304.302 0.841 50 0 DCAARN Cc1ccccc1CN(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000012916223 395688175 /nfs/dbraw/zinc/68/81/75/395688175.db2.gz YVHDSXGIFOWWIE-AWEZNQCLSA-N 0 0 310.419 0.730 50 0 DCAARN COC(=O)CNC(=O)CSc1nnc(C2CC2)n1C1CC1 ZINC000012983110 395688234 /nfs/dbraw/zinc/68/82/34/395688234.db2.gz XWZCUFKQPBXNLU-UHFFFAOYSA-N 0 0 310.379 0.872 50 0 DCAARN Cc1nc(N2CCN(C(=O)c3ccco3)CC2)[nH]c(=O)c1C ZINC000013135558 395688440 /nfs/dbraw/zinc/68/84/40/395688440.db2.gz OQMMRSIRWZGALI-UHFFFAOYSA-N 0 0 302.334 0.942 50 0 DCAARN CCn1nnc2c1ncn(CC(=O)NCc1ccccc1)c2=O ZINC000013531492 395688604 /nfs/dbraw/zinc/68/86/04/395688604.db2.gz XSDDIWQEMNOJNU-UHFFFAOYSA-N 0 0 312.333 0.324 50 0 DCAARN Cn1ccnc1N1CCN(CC(=O)NCc2ccco2)CC1 ZINC000013694361 395688887 /nfs/dbraw/zinc/68/88/87/395688887.db2.gz VHSDLYDMYSWYPF-UHFFFAOYSA-N 0 0 303.366 0.452 50 0 DCAARN COCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 ZINC000014140948 395689201 /nfs/dbraw/zinc/68/92/01/395689201.db2.gz AJQIQNKIIWZXQO-UHFFFAOYSA-N 0 0 314.407 0.930 50 0 DCAARN Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)no1 ZINC000014136980 395689218 /nfs/dbraw/zinc/68/92/18/395689218.db2.gz LDOGIDZWGCOJDM-CQSZACIVSA-N 0 0 318.289 0.982 50 0 DCAARN CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCOCC1 ZINC000014185180 395689343 /nfs/dbraw/zinc/68/93/43/395689343.db2.gz GLOLQXOYUFYREI-LLVKDONJSA-N 0 0 312.391 0.990 50 0 DCAARN CC(C)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cccs3)CN2C1=O ZINC000014746383 395689680 /nfs/dbraw/zinc/68/96/80/395689680.db2.gz LJKMQIAFERTCHJ-NHCYSSNCSA-N 0 0 321.402 0.602 50 0 DCAARN Cn1c2ccc(NC(=O)CN3CCOCC3)cc2n(C)c1=O ZINC000015019905 395689729 /nfs/dbraw/zinc/68/97/29/395689729.db2.gz VDDGVMYIGWYVPD-UHFFFAOYSA-N 0 0 304.350 0.148 50 0 DCAARN O=C(CN1CSCC1=O)NC[C@H]1COc2ccccc2O1 ZINC000015325159 395689861 /nfs/dbraw/zinc/68/98/61/395689861.db2.gz PGMPFCTYWXRGOP-JTQLQIEISA-N 0 0 308.359 0.476 50 0 DCAARN COC(=O)c1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)CO2 ZINC000021925525 395691750 /nfs/dbraw/zinc/69/17/50/395691750.db2.gz HTBNWMBNRBOVFV-UHFFFAOYSA-N 0 0 318.329 0.821 50 0 DCAARN CCOC(=O)c1nnn(-c2nc(OC)nc(N(C)C)n2)c1C ZINC000000056326 395679680 /nfs/dbraw/zinc/67/96/80/395679680.db2.gz AYPLGAUMOMJGIU-UHFFFAOYSA-N 0 0 307.314 0.012 50 0 DCAARN COC(=O)c1ccc(S(=O)(=O)NCc2ccccn2)n1C ZINC000000119713 395679799 /nfs/dbraw/zinc/67/97/99/395679799.db2.gz WKCXQHYHUWDTDQ-UHFFFAOYSA-N 0 0 309.347 0.685 50 0 DCAARN COCc1nnc(NC(=O)[C@H]2CSC(C)(C)N2C=O)s1 ZINC000000115355 395679806 /nfs/dbraw/zinc/67/98/06/395679806.db2.gz VFAOFEZZJOAFQM-SSDOTTSWSA-N 0 0 316.408 0.933 50 0 DCAARN O=C(Cn1nnc(-c2ccccc2Cl)n1)N1CCOCC1 ZINC000000177578 395679931 /nfs/dbraw/zinc/67/99/31/395679931.db2.gz JTKZBIAMRAQHKM-UHFFFAOYSA-N 0 0 307.741 0.852 50 0 DCAARN O=C(CCN1C(=O)c2ccccc2C1=O)NC[C@H]1CCCO1 ZINC000000215501 395680075 /nfs/dbraw/zinc/68/00/75/395680075.db2.gz RVASHTVBKAJYFZ-LLVKDONJSA-N 0 0 302.330 0.968 50 0 DCAARN CN(C)c1ccc(/C=[NH+]/N[C@@H]2NC(=O)[C@H](CC(=O)[O-])S2)cc1 ZINC000000255351 395680076 /nfs/dbraw/zinc/68/00/76/395680076.db2.gz GIGDIWQESXZWGC-GVOUMEFCSA-N 0 0 322.390 0.666 50 0 DCAARN O=C(CCN1C(=O)c2ccccc2C1=O)NC[C@@H]1CCCO1 ZINC000000215503 395680108 /nfs/dbraw/zinc/68/01/08/395680108.db2.gz RVASHTVBKAJYFZ-NSHDSACASA-N 0 0 302.330 0.968 50 0 DCAARN CCS(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1 ZINC000000262566 395680189 /nfs/dbraw/zinc/68/01/89/395680189.db2.gz NPSJFFKFFOZTND-UHFFFAOYSA-N 0 0 311.407 0.760 50 0 DCAARN COC(=O)C1=C(C)N(c2ccc(S(N)(=O)=O)cc2)C(=O)C1 ZINC000000313173 395680244 /nfs/dbraw/zinc/68/02/44/395680244.db2.gz SZXKNXGDFIZKAJ-UHFFFAOYSA-N 0 0 310.331 0.518 50 0 DCAARN COc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)cc1 ZINC000000392210 395680256 /nfs/dbraw/zinc/68/02/56/395680256.db2.gz FHXKDHYHQTWOON-UHFFFAOYSA-N 0 0 321.362 0.400 50 0 DCAARN Cc1cc(Cl)c(S(=O)(=O)N(C)C)cc1OCC(N)=O ZINC000000386191 395680273 /nfs/dbraw/zinc/68/02/73/395680273.db2.gz VCOGPOKUYJRWHT-UHFFFAOYSA-N 0 0 306.771 0.763 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1 ZINC000000405409 395680334 /nfs/dbraw/zinc/68/03/34/395680334.db2.gz JYFADIMTXBKXTG-LLVKDONJSA-N 0 0 303.405 0.803 50 0 DCAARN COC(=O)CSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1 ZINC000000463907 395680474 /nfs/dbraw/zinc/68/04/74/395680474.db2.gz URFUAIOTMZPNBQ-UHFFFAOYSA-N 0 0 322.346 0.936 50 0 DCAARN COc1ccc(-c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cc1OC ZINC000000531038 395680499 /nfs/dbraw/zinc/68/04/99/395680499.db2.gz VIFIHMAHYFKXSU-UHFFFAOYSA-N 0 0 316.317 0.645 50 0 DCAARN CS(=O)(=O)c1cccc(S(=O)(=O)N2CCSCC2)c1 ZINC000000991069 395680622 /nfs/dbraw/zinc/68/06/22/395680622.db2.gz HPFLYEGLFQYBRB-UHFFFAOYSA-N 0 0 321.445 0.828 50 0 DCAARN CNC(=S)NN=c1nc(N2CCCC2)nc(N2CCCC2)[nH]1 ZINC000001101209 395680661 /nfs/dbraw/zinc/68/06/61/395680661.db2.gz JMTPBWPOUDFTQO-UHFFFAOYSA-N 0 0 322.442 0.493 50 0 DCAARN O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000001052210 395680677 /nfs/dbraw/zinc/68/06/77/395680677.db2.gz JATHLQCUGBVCLG-AWEZNQCLSA-N 0 0 324.402 0.699 50 0 DCAARN Cc1[nH]c2ccccc2c1CCNC(=O)c1c(N)no[n+]1[O-] ZINC000001429994 395680801 /nfs/dbraw/zinc/68/08/01/395680801.db2.gz SKRPYMYKSLTJTP-UHFFFAOYSA-N 0 0 301.306 0.652 50 0 DCAARN Cn1ncc2c1ncnc2N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000025570509 395693578 /nfs/dbraw/zinc/69/35/78/395693578.db2.gz NUWPVAJANUDGEP-LBPRGKRZSA-N 0 0 316.365 0.191 50 0 DCAARN O=C(CN1C(=O)c2ccccc2C1=O)NCCCn1ccnc1 ZINC000002501581 395681533 /nfs/dbraw/zinc/68/15/33/395681533.db2.gz DXCRYBZCBLXDGH-UHFFFAOYSA-N 0 0 312.329 0.686 50 0 DCAARN Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)ccc12 ZINC000002539734 395681579 /nfs/dbraw/zinc/68/15/79/395681579.db2.gz CQKHENXHLAUMBH-OSLYUKSHSA-N 0 0 322.313 0.308 50 0 DCAARN NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000002645020 395681709 /nfs/dbraw/zinc/68/17/09/395681709.db2.gz NDZLOKLSRGOUOB-UHFFFAOYSA-N 0 0 309.325 0.967 50 0 DCAARN CCN(CC(=O)NCCOC)S(=O)(=O)c1ccc(C)cc1 ZINC000002872166 395681872 /nfs/dbraw/zinc/68/18/72/395681872.db2.gz LWIMHNYUCAZZGT-UHFFFAOYSA-N 0 0 314.407 0.768 50 0 DCAARN CSCC[C@H]1C(=O)N(N)[C@]2(C)CC(C)(C)NC(=S)N12 ZINC000002927899 395682074 /nfs/dbraw/zinc/68/20/74/395682074.db2.gz PGHZXVVGWZXWKS-QPUJVOFHSA-N 0 0 302.469 0.899 50 0 DCAARN COCCNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000002958256 395682156 /nfs/dbraw/zinc/68/21/56/395682156.db2.gz FAZFXUCYMDKFQQ-UHFFFAOYSA-N 0 0 304.343 0.354 50 0 DCAARN COCCCNC(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000002959918 395682197 /nfs/dbraw/zinc/68/21/97/395682197.db2.gz JHUCNKJBXAVGRM-UHFFFAOYSA-N 0 0 318.370 0.744 50 0 DCAARN Cc1ccc(S(=O)(=O)NCC(=O)O[C@H]2CCOC2=O)cc1 ZINC000003233072 395682395 /nfs/dbraw/zinc/68/23/95/395682395.db2.gz FXHQSACKEFQWDT-NSHDSACASA-N 0 0 313.331 0.132 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(NC(=O)Cn2cncn2)cc1 ZINC000008048323 395683804 /nfs/dbraw/zinc/68/38/04/395683804.db2.gz BUHNLBINNAORRR-UHFFFAOYSA-N 0 0 309.351 0.167 50 0 DCAARN O=C(N[C@@H]1C[C@@H](O)[C@@H](CO)C1)c1cnn(-c2ccccc2)n1 ZINC000085468361 395700819 /nfs/dbraw/zinc/70/08/19/395700819.db2.gz UTBHQPHOOOQLMH-UHIISALHSA-N 0 0 302.334 0.129 50 0 DCAARN Cc1csc(N2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)n1 ZINC000030703055 395704021 /nfs/dbraw/zinc/70/40/21/395704021.db2.gz XTANDVWLWDEYST-UHFFFAOYSA-N 0 0 321.406 0.708 50 0 DCAARN COc1ccccc1CNC(=O)NCCNS(C)(=O)=O ZINC000031034377 395705150 /nfs/dbraw/zinc/70/51/50/395705150.db2.gz DCUWHYIJPPFCJS-UHFFFAOYSA-N 0 0 301.368 0.044 50 0 DCAARN CCOC(=O)N1CCC(NC(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000032200710 395709642 /nfs/dbraw/zinc/70/96/42/395709642.db2.gz GXUJEARSIOFRRR-UHFFFAOYSA-N 0 0 310.354 0.332 50 0 DCAARN CN(C)c1cc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)ccn1 ZINC000089322961 395709771 /nfs/dbraw/zinc/70/97/71/395709771.db2.gz QYMHVZSJZHURSY-CABCVRRESA-N 0 0 318.421 0.819 50 0 DCAARN COCC(=O)N1CCN(c2cc(-n3cccn3)nc(C)n2)CC1 ZINC000036705438 395724211 /nfs/dbraw/zinc/72/42/11/395724211.db2.gz RTBPWCLKUASOOC-UHFFFAOYSA-N 0 0 316.365 0.266 50 0 DCAARN COc1cc2c(cc1OC)CN(C(=O)[C@H]1CNC(=O)N1)CC2 ZINC000089429428 395711783 /nfs/dbraw/zinc/71/17/83/395711783.db2.gz WZJXYLISKFAVPN-LLVKDONJSA-N 0 0 305.334 0.270 50 0 DCAARN COc1ccc([C@H](O)CNC(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000089438835 395711842 /nfs/dbraw/zinc/71/18/42/395711842.db2.gz NXEVUEKGWBXOQV-ZIAGYGMSSA-N 0 0 321.377 0.697 50 0 DCAARN C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCC(C(N)=O)CC1 ZINC000032652119 395711874 /nfs/dbraw/zinc/71/18/74/395711874.db2.gz XOQYSMOFFFWRRK-AAEUAGOBSA-N 0 0 324.425 0.588 50 0 DCAARN C[C@@H](Sc1ccccn1)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000089478602 395711953 /nfs/dbraw/zinc/71/19/53/395711953.db2.gz MMKXNMGCGGRGMO-OLZOCXBDSA-N 0 0 306.435 0.678 50 0 DCAARN CCNC(=O)[C@H](C)NC(=O)/C=C/C(=O)N(C)Cc1ccccc1 ZINC000032736771 395712875 /nfs/dbraw/zinc/71/28/75/395712875.db2.gz FQVBFIXUMYQLAS-NHAQELONSA-N 0 0 317.389 0.842 50 0 DCAARN CCN(CC(=O)NC(C)C)S(=O)(=O)N1CCCC[C@@H]1C ZINC000032804262 395713560 /nfs/dbraw/zinc/71/35/60/395713560.db2.gz PTMPJLGDJFAHNN-LBPRGKRZSA-N 0 0 305.444 0.952 50 0 DCAARN CC(C)N1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)CC1=O ZINC000032815914 395713682 /nfs/dbraw/zinc/71/36/82/395713682.db2.gz RURLRJBWPNMTMN-CQSZACIVSA-N 0 0 316.405 0.987 50 0 DCAARN O=C(Cn1cnc2ccc(F)cc2c1=O)NC[C@@H]1CCCO1 ZINC000032795039 395713941 /nfs/dbraw/zinc/71/39/41/395713941.db2.gz LTMSOOGJYNRQBE-NSHDSACASA-N 0 0 305.309 0.831 50 0 DCAARN Cc1ccc(CNC(=O)NC2CCN(CC(N)=O)CC2)n1C ZINC000089652236 395714051 /nfs/dbraw/zinc/71/40/51/395714051.db2.gz WCULYBOFPBVGPW-UHFFFAOYSA-N 0 0 307.398 0.082 50 0 DCAARN CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)N1CCOCC1 ZINC000032900033 395714181 /nfs/dbraw/zinc/71/41/81/395714181.db2.gz XJHZUGDDXDEVKS-UHFFFAOYSA-N 0 0 314.363 0.424 50 0 DCAARN NC(=O)[C@H]1CCCN1C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000032850787 395714256 /nfs/dbraw/zinc/71/42/56/395714256.db2.gz QZINHENBAHDDIO-GFCCVEGCSA-N 0 0 314.345 0.332 50 0 DCAARN C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CCO1 ZINC000032920239 395714644 /nfs/dbraw/zinc/71/46/44/395714644.db2.gz DOQUTMKGDJRIJM-VXGBXAGGSA-N 0 0 316.361 0.572 50 0 DCAARN Cn1cc(CCNC(=O)N2CCC[C@@H](c3nncn3C)C2)cn1 ZINC000089755684 395714918 /nfs/dbraw/zinc/71/49/18/395714918.db2.gz FIXRSYNSBHGGEV-CYBMUJFWSA-N 0 0 317.397 0.680 50 0 DCAARN O=C(NCc1nnc2n1CCC2)NC[C@@H](O)c1ccc(F)cc1 ZINC000089782920 395715305 /nfs/dbraw/zinc/71/53/05/395715305.db2.gz SBOVZGHJYFLHKK-GFCCVEGCSA-N 0 0 319.340 0.896 50 0 DCAARN CC(C)CNC(=O)c1nc[nH]c1C(=O)N[C@H]1CCCCNC1=O ZINC000033003880 395715597 /nfs/dbraw/zinc/71/55/97/395715597.db2.gz BQKGNJABOZSRFC-JTQLQIEISA-N 0 0 321.381 0.194 50 0 DCAARN O=S(=O)(NCCCN1CCOCC1)c1ccccc1F ZINC000033048000 395716209 /nfs/dbraw/zinc/71/62/09/395716209.db2.gz XWGRBMNDCKUHJG-UHFFFAOYSA-N 0 0 302.371 0.826 50 0 DCAARN C[C@@H](Cn1ccnc1)NC(=O)NCCN1CCCCCC1=O ZINC000089904428 395716277 /nfs/dbraw/zinc/71/62/77/395716277.db2.gz UVVAITKVGLNOIY-ZDUSSCGKSA-N 0 0 307.398 0.973 50 0 DCAARN C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)c1cn(-c2ccccc2)nn1 ZINC000089913489 395716299 /nfs/dbraw/zinc/71/62/99/395716299.db2.gz KZVOYXSUSWGJKL-DOMZBBRYSA-N 0 0 315.377 0.775 50 0 DCAARN CCOC(=O)[C@H](C)NC(=O)NCC(=O)N1CCc2ccccc21 ZINC000033127806 395716407 /nfs/dbraw/zinc/71/64/07/395716407.db2.gz ICEFIIIXAWYXLC-NSHDSACASA-N 0 0 319.361 0.827 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCCSC(C)(C)C ZINC000033330747 395716975 /nfs/dbraw/zinc/71/69/75/395716975.db2.gz LBBLGNAYLVWLBG-UHFFFAOYSA-N 0 0 321.424 0.182 50 0 DCAARN COC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000035889321 395721647 /nfs/dbraw/zinc/72/16/47/395721647.db2.gz YIRANKCAKQPTFW-UHFFFAOYSA-N 0 0 316.354 0.305 50 0 DCAARN CCN(CC)S(=O)(=O)NC[C@@](C)(CC)N1CCOCC1 ZINC000036392853 395723140 /nfs/dbraw/zinc/72/31/40/395723140.db2.gz YSLDEIXSVQDHSK-CYBMUJFWSA-N 0 0 307.460 0.664 50 0 DCAARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000036435388 395723469 /nfs/dbraw/zinc/72/34/69/395723469.db2.gz QKTYLFCIFJBHLI-OUJBWJOFSA-N 0 0 311.359 0.518 50 0 DCAARN C[C@H]1CN(CC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)CO1 ZINC000027647445 395695244 /nfs/dbraw/zinc/69/52/44/395695244.db2.gz JNQIWOPHFMZZIY-KBPBESRZSA-N 0 0 319.409 0.234 50 0 DCAARN Cc1nn(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1Cl ZINC000027981901 395695544 /nfs/dbraw/zinc/69/55/44/395695544.db2.gz PSZQGKLFBBGPMM-SECBINFHSA-N 0 0 305.787 0.457 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)cc1 ZINC000028327795 395695904 /nfs/dbraw/zinc/69/59/04/395695904.db2.gz LZMYRHLJZDRNBW-ZWNOBZJWSA-N 0 0 312.391 0.892 50 0 DCAARN CC(=O)c1cc2c(cc1NC(=O)c1ccc(=O)n(C)n1)OCO2 ZINC000028909911 395696322 /nfs/dbraw/zinc/69/63/22/395696322.db2.gz FVXFFMUHUHVKJD-UHFFFAOYSA-N 0 0 315.285 0.964 50 0 DCAARN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC1CCCCC1 ZINC000029455126 395698062 /nfs/dbraw/zinc/69/80/62/395698062.db2.gz VXDUIPZGAAABTF-ZDUSSCGKSA-N 0 0 302.440 0.802 50 0 DCAARN O=C(c1cnn2cccnc12)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000084614910 395698155 /nfs/dbraw/zinc/69/81/55/395698155.db2.gz NVERGPBCQGIPSU-ZIAGYGMSSA-N 0 0 315.377 0.401 50 0 DCAARN Cc1ccc([C@@H](C)NC(=O)C2CCN(S(N)(=O)=O)CC2)o1 ZINC000029498172 395698723 /nfs/dbraw/zinc/69/87/23/395698723.db2.gz AMAGJBRDRQRWNL-SNVBAGLBSA-N 0 0 315.395 0.681 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)[C@H](C)n3cccn3)CCO2)[nH]1 ZINC000095402170 395740358 /nfs/dbraw/zinc/74/03/58/395740358.db2.gz GHAGGBGHASTIDS-QWRGUYRKSA-N 0 0 304.354 0.725 50 0 DCAARN COC(=O)NCC(=O)N1CCN(c2cccc(OC)c2)CC1 ZINC000040555374 395734101 /nfs/dbraw/zinc/73/41/01/395734101.db2.gz AFJSJUCIBHVWER-UHFFFAOYSA-N 0 0 307.350 0.700 50 0 DCAARN O=C(CCN1C(=O)COc2ccccc21)NC[C@H]1CCOC1 ZINC000041373203 395736891 /nfs/dbraw/zinc/73/68/91/395736891.db2.gz ODXIEVUSMLPFDC-GFCCVEGCSA-N 0 0 304.346 0.955 50 0 DCAARN Cc1nc(NC[C@H]2CCCO2)cc(C(=O)N2CCOCC2)n1 ZINC000096182819 395747256 /nfs/dbraw/zinc/74/72/56/395747256.db2.gz FGGAZEKAIHUTLV-GFCCVEGCSA-N 0 0 306.366 0.848 50 0 DCAARN O=S(=O)(C[C@@H]1CCCO1)N[C@@H]1CCCCC12OCCO2 ZINC000095443793 395741018 /nfs/dbraw/zinc/74/10/18/395741018.db2.gz QYPYZQBWOVVSMV-NWDGAFQWSA-N 0 0 305.396 0.771 50 0 DCAARN Cn1nnnc1COc1ccc(CC(=O)Nc2ccon2)cc1 ZINC000096101413 395744302 /nfs/dbraw/zinc/74/43/02/395744302.db2.gz VZPFEIVJKGOSDW-UHFFFAOYSA-N 0 0 314.305 0.958 50 0 DCAARN CC(C)c1cc(C(=O)N2CC[C@](C)(O)[C@@H](O)C2)nc2ncnn21 ZINC000096150539 395746063 /nfs/dbraw/zinc/74/60/63/395746063.db2.gz MCNUSCUVBIVCJT-WFASDCNBSA-N 0 0 319.365 0.206 50 0 DCAARN CC(C)(C)OC(=O)CCOCCOCCN1C(=O)C=CC1=O ZINC000096300341 395752520 /nfs/dbraw/zinc/75/25/20/395752520.db2.gz XWPBPQDTQUEMBX-UHFFFAOYSA-N 0 0 313.350 0.676 50 0 DCAARN OCCOCCOCCOCCOCCO[C@H]1CCCCO1 ZINC000096503439 395754175 /nfs/dbraw/zinc/75/41/75/395754175.db2.gz ZEGHHDSVKRWOCB-HNNXBMFYSA-N 0 0 322.398 0.588 50 0 DCAARN CCOC(=O)N1CCN(C(=O)c2cc(CC)[nH]c(=O)c2)CC1 ZINC000097480345 395757936 /nfs/dbraw/zinc/75/79/36/395757936.db2.gz ZPENGNCPJWRQCR-UHFFFAOYSA-N 0 0 307.350 0.852 50 0 DCAARN O=C(Cn1ccccc1=O)NCc1nnc2n1CCCCC2 ZINC000046729729 395779445 /nfs/dbraw/zinc/77/94/45/395779445.db2.gz SUAQODQJGOMHBR-UHFFFAOYSA-N 0 0 301.350 0.483 50 0 DCAARN O=C(c1cn2ccccc2n1)N1CCC2(CC1)NC(=O)NC2=O ZINC000097551495 395758516 /nfs/dbraw/zinc/75/85/16/395758516.db2.gz QQPDLTBXNSNZFH-UHFFFAOYSA-N 0 0 313.317 0.149 50 0 DCAARN c1cnc(N2CCN(Cc3nc([C@H]4CCOC4)n[nH]3)CC2)nc1 ZINC000097515197 395758640 /nfs/dbraw/zinc/75/86/40/395758640.db2.gz HPLBOLZYHBVLEA-LBPRGKRZSA-N 0 0 315.381 0.421 50 0 DCAARN O=C(C1CC1)N1CCN(Cc2nccn2C2CC2)C[C@H](O)C1 ZINC000097759275 395760252 /nfs/dbraw/zinc/76/02/52/395760252.db2.gz WMNQQABWXNLYRB-AWEZNQCLSA-N 0 0 304.394 0.633 50 0 DCAARN CNc1ccnc(N2CCN(C(=O)N3CCCC3)C[C@@H](O)C2)n1 ZINC000097698701 395760496 /nfs/dbraw/zinc/76/04/96/395760496.db2.gz SHBSNJUYVIMGDD-LBPRGKRZSA-N 0 0 320.397 0.217 50 0 DCAARN C[C@@H](COc1ccc(F)cc1)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC000097915167 395760734 /nfs/dbraw/zinc/76/07/34/395760734.db2.gz WDDQZGAZRPGRMP-JOYOIKCWSA-N 0 0 323.324 0.697 50 0 DCAARN O=C(CCc1cn2ccccc2n1)N[C@@H]1C=CS(=O)(=O)C1 ZINC000097776189 395760905 /nfs/dbraw/zinc/76/09/05/395760905.db2.gz ONBYLMVEBXBKQT-GFCCVEGCSA-N 0 0 305.359 0.694 50 0 DCAARN O=[N+]([O-])C(C(=C(Cl)Cl)N1CCOCC1)=C1NCCCN1 ZINC000100636328 395763698 /nfs/dbraw/zinc/76/36/98/395763698.db2.gz YGDQMCPMNAOESX-UHFFFAOYSA-N 0 0 323.180 0.994 50 0 DCAARN Cc1ccn(CCNc2c(=O)c(=O)c2NCc2ccccn2)n1 ZINC000101694142 395766623 /nfs/dbraw/zinc/76/66/23/395766623.db2.gz SPOLSWNKSUXIBZ-UHFFFAOYSA-N 0 0 311.345 0.907 50 0 DCAARN CC(=O)c1ccc(C(=O)NCCN2CCN(C(C)=O)CC2)s1 ZINC000045852337 395767157 /nfs/dbraw/zinc/76/71/57/395767157.db2.gz VVCKPIVTNPTVMJ-UHFFFAOYSA-N 0 0 323.418 0.845 50 0 DCAARN CCc1nc(CCNC(=O)[C@H]2CCS(=O)(=O)C2)cs1 ZINC000102377981 395769915 /nfs/dbraw/zinc/76/99/15/395769915.db2.gz ZZYDDWNKAREDLY-VIFPVBQESA-N 0 0 302.421 0.799 50 0 DCAARN COc1ccc2c(c1)CCCN2C(=O)CN(C)S(C)(=O)=O ZINC000046181891 395772653 /nfs/dbraw/zinc/77/26/53/395772653.db2.gz GHVVFQYDDIKGHW-UHFFFAOYSA-N 0 0 312.391 0.866 50 0 DCAARN C[C@H](NC(N)=O)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000046700341 395779246 /nfs/dbraw/zinc/77/92/46/395779246.db2.gz NUKCHJMYBWHISP-NSHDSACASA-N 0 0 301.350 0.604 50 0 DCAARN O=C(c1cccs1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000048217562 395810979 /nfs/dbraw/zinc/81/09/79/395810979.db2.gz KCTTWWOGPFWHNV-NSHDSACASA-N 0 0 314.432 0.693 50 0 DCAARN O=C(NC[C@@H](O)c1ccccc1F)N[C@@H]1CCS(=O)(=O)C1 ZINC000048303143 395813096 /nfs/dbraw/zinc/81/30/96/395813096.db2.gz QEXLETAVQKQXKC-BXKDBHETSA-N 0 0 316.354 0.345 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)C1=Cc2ccccc2OC1 ZINC000048326611 395813208 /nfs/dbraw/zinc/81/32/08/395813208.db2.gz SICKWCYHAYTOTM-UHFFFAOYSA-N 0 0 310.375 0.518 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)N2CCc3ccccc32)CC1 ZINC000048326386 395813482 /nfs/dbraw/zinc/81/34/82/395813482.db2.gz KKYQRCNVTIAFSQ-UHFFFAOYSA-N 0 0 316.405 0.969 50 0 DCAARN C[C@@]1(NC(=O)c2cc3ccccc3c(=O)[nH]2)CCS(=O)(=O)C1 ZINC000048435279 395815704 /nfs/dbraw/zinc/81/57/04/395815704.db2.gz UNCGUABKOVMJGO-OAHLLOKOSA-N 0 0 320.370 0.835 50 0 DCAARN COc1ncccc1CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000048938912 395825331 /nfs/dbraw/zinc/82/53/31/395825331.db2.gz IFWKAPFFAXQVSY-GFCCVEGCSA-N 0 0 308.382 0.610 50 0 DCAARN CNC(=O)[C@@H](O)CNS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000225436552 395859666 /nfs/dbraw/zinc/85/96/66/395859666.db2.gz VKSHDLWQECGAAP-ZDUSSCGKSA-N 0 0 310.375 0.000 50 0 DCAARN Cc1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c(N)n1 ZINC000049410841 395831826 /nfs/dbraw/zinc/83/18/26/395831826.db2.gz VINJTPPFWKGLAL-UHFFFAOYSA-N 0 0 302.290 0.501 50 0 DCAARN COC(=O)CNC(=O)Cn1nc(-c2cccs2)ccc1=O ZINC000049551611 395833400 /nfs/dbraw/zinc/83/34/00/395833400.db2.gz HXWNXIVHCLGBLG-UHFFFAOYSA-N 0 0 307.331 0.261 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN(C[C@H](C)O)CC2)s1 ZINC000049914102 395834894 /nfs/dbraw/zinc/83/48/94/395834894.db2.gz BHEXOMSRWZMGMB-JTQLQIEISA-N 0 0 304.437 0.744 50 0 DCAARN COc1ccccc1CC(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000214995696 395836586 /nfs/dbraw/zinc/83/65/86/395836586.db2.gz IKFQKQIXHONLMD-UHFFFAOYSA-N 0 0 315.377 0.700 50 0 DCAARN COc1ccc(O[C@H]2CCN(C(=O)Cn3cccc3)C2)nn1 ZINC000225438350 395860286 /nfs/dbraw/zinc/86/02/86/395860286.db2.gz NVUVMTXVNZWNBG-LBPRGKRZSA-N 0 0 302.334 0.967 50 0 DCAARN Cc1nc(S(=O)(=O)N2CCC(C(=O)N(C)C)CC2)cn1C ZINC000050559193 395839633 /nfs/dbraw/zinc/83/96/33/395839633.db2.gz REHNZZOAKSSTHL-UHFFFAOYSA-N 0 0 314.411 0.217 50 0 DCAARN Nc1cc(=O)[nH]c(CCNC(=O)Cn2ncc3ccccc32)n1 ZINC000219473583 395845571 /nfs/dbraw/zinc/84/55/71/395845571.db2.gz RQBVQORWBMUXET-UHFFFAOYSA-N 0 0 312.333 0.473 50 0 DCAARN CSc1ncc(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)cn1 ZINC000219913703 395847053 /nfs/dbraw/zinc/84/70/53/395847053.db2.gz YUPUNYVGRBSTMU-ZDUSSCGKSA-N 0 0 308.363 0.865 50 0 DCAARN COCCc1nc(CNC(=O)c2ccc3n[nH]nc3c2)no1 ZINC000220376885 395848651 /nfs/dbraw/zinc/84/86/51/395848651.db2.gz XOZFQSONGVEKFF-UHFFFAOYSA-N 0 0 302.294 0.460 50 0 DCAARN CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1sc(C)nc1C ZINC000220617110 395849409 /nfs/dbraw/zinc/84/94/09/395849409.db2.gz XPTUWSGATLSYHC-WRWGMCAJSA-N 0 0 309.391 0.782 50 0 DCAARN CCc1nc(C)c(C(=O)NCCN2CCN(C(C)=O)CC2)s1 ZINC000051468855 395850175 /nfs/dbraw/zinc/85/01/75/395850175.db2.gz ULSVJQMTSAQQJY-UHFFFAOYSA-N 0 0 324.450 0.908 50 0 DCAARN CCc1nnc(SCC(=O)N2C[C@H]3CC[C@@H](C2)NC3=O)[nH]1 ZINC000221242294 395850658 /nfs/dbraw/zinc/85/06/58/395850658.db2.gz QPKAFHJLRYXPEK-BDAKNGLRSA-N 0 0 309.395 0.196 50 0 DCAARN CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1n[nH]nc1C)C2 ZINC000222561194 395852688 /nfs/dbraw/zinc/85/26/88/395852688.db2.gz WETDJPHZOMSTFJ-LBPRGKRZSA-N 0 0 304.354 0.799 50 0 DCAARN Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2ncc(F)cc2F)C1 ZINC000223538171 395855580 /nfs/dbraw/zinc/85/55/80/395855580.db2.gz NPPYCRFIHLYKHF-OTSSQURYSA-N 0 0 323.303 0.657 50 0 DCAARN C[N@@H+]1C[C@@H](NC(=O)CCc2ccc3c(c2)OCO3)C[C@H]1C(=O)[O-] ZINC000223523864 395856092 /nfs/dbraw/zinc/85/60/92/395856092.db2.gz JWFHFUSMZGWAKS-RYUDHWBXSA-N 0 0 320.345 0.621 50 0 DCAARN O=C(CC1CCCCC1)NCCS(=O)(=O)N1CCOCC1 ZINC000051986645 395857618 /nfs/dbraw/zinc/85/76/18/395857618.db2.gz XLCSGHPSXAFLKC-UHFFFAOYSA-N 0 0 318.439 0.735 50 0 DCAARN Cc1nccn1-c1ccc(CNC(=O)c2nccnc2N)cn1 ZINC000054625717 395903822 /nfs/dbraw/zinc/90/38/22/395903822.db2.gz KEUDKFJEGMHFFP-UHFFFAOYSA-N 0 0 309.333 0.878 50 0 DCAARN CC(C)CCOCCNC(=O)Cn1nnc2ccccc2c1=O ZINC000054914246 395908260 /nfs/dbraw/zinc/90/82/60/395908260.db2.gz FNOBRSUGOQMSBO-UHFFFAOYSA-N 0 0 318.377 0.970 50 0 DCAARN CN(C)c1ccnc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)c1 ZINC000130370260 395922873 /nfs/dbraw/zinc/92/28/73/395922873.db2.gz XJBNPGZGDJTOCK-LBPRGKRZSA-N 0 0 302.334 0.167 50 0 DCAARN NC(=O)[C@@H]1CCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000052393415 395862875 /nfs/dbraw/zinc/86/28/75/395862875.db2.gz SBPFXYNLGILGOI-ZCFIWIBFSA-N 0 0 300.244 0.455 50 0 DCAARN CNC(=O)CNC(=O)c1cccc(NC(=O)[C@]2(C)CCCO2)c1 ZINC000225722824 395862998 /nfs/dbraw/zinc/86/29/98/395862998.db2.gz DKOBSCJECSCPFV-INIZCTEOSA-N 0 0 319.361 0.670 50 0 DCAARN NC(=O)[C@H]1CCN(c2cc(C(F)(F)F)nc3ncnn32)C1 ZINC000052394079 395863258 /nfs/dbraw/zinc/86/32/58/395863258.db2.gz VROLNQCJDAIPFU-LURJTMIESA-N 0 0 300.244 0.455 50 0 DCAARN CCN(CC)C(=O)[C@H]1CCCN(Cn2[n-]c(=O)ccc2=O)C1 ZINC000226758811 395867295 /nfs/dbraw/zinc/86/72/95/395867295.db2.gz JDCMCZPLYJGDKS-LBPRGKRZSA-N 0 0 308.382 0.487 50 0 DCAARN NC(=O)CN(CC(=O)NCCOc1ccccc1)C1CCCC1 ZINC000052826384 395870183 /nfs/dbraw/zinc/87/01/83/395870183.db2.gz NVQCQDYTSXAREM-UHFFFAOYSA-N 0 0 319.405 0.912 50 0 DCAARN CC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC000229246964 395873808 /nfs/dbraw/zinc/87/38/08/395873808.db2.gz LKTGNCZAZKXPQM-GXTWGEPZSA-N 0 0 321.425 0.964 50 0 DCAARN CCn1ccnc1CN1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000229306386 395874289 /nfs/dbraw/zinc/87/42/89/395874289.db2.gz XGUPLTHIODVOLO-HOCLYGCPSA-N 0 0 319.453 0.887 50 0 DCAARN C[C@@H](NC(=O)CN1CCO[C@@H](Cn2cncn2)C1)c1ccco1 ZINC000229498534 395874608 /nfs/dbraw/zinc/87/46/08/395874608.db2.gz KREHONZJQAAKGR-CHWSQXEVSA-N 0 0 319.365 0.449 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCO[C@@H](Cn3cncn3)C2)no1 ZINC000229552470 395875325 /nfs/dbraw/zinc/87/53/25/395875325.db2.gz TXOIFWFVIJVBIU-VXGBXAGGSA-N 0 0 320.353 0.303 50 0 DCAARN Cn1cc(/C=C2/c3cc(S(N)(=O)=O)ccc3NC2=O)cn1 ZINC000053107518 395876317 /nfs/dbraw/zinc/87/63/17/395876317.db2.gz QEKJWOKGCNMZQP-WCIBSUBMSA-N 0 0 304.331 0.560 50 0 DCAARN CCN1Cc2ccccc2C[C@H]1C(=O)NCc1nc(N)n[nH]1 ZINC000230476962 395881576 /nfs/dbraw/zinc/88/15/76/395881576.db2.gz QLNOYJHBLOMBNT-LBPRGKRZSA-N 0 0 300.366 0.450 50 0 DCAARN C[C@@H]1C[C@H](C)CN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000134975455 395936007 /nfs/dbraw/zinc/93/60/07/395936007.db2.gz ZSWUCTOHXFRJKQ-VHSXEESVSA-N 0 0 318.420 0.753 50 0 DCAARN NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)NCC(F)(F)F ZINC000247744452 395978028 /nfs/dbraw/zinc/97/80/28/395978028.db2.gz OUNLBXISZQNYNT-BBBLOLIVSA-N 0 0 307.316 0.783 50 0 DCAARN CC[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)n(C)c1=O ZINC000064966931 395989519 /nfs/dbraw/zinc/98/95/19/395989519.db2.gz DKNTWZNJALBFHG-VIFPVBQESA-N 0 0 320.324 0.599 50 0 DCAARN CC[C@H](C)NC(=O)Cn1ncc2c(c1=O)N(C)C(=O)CS2 ZINC000065132361 395990798 /nfs/dbraw/zinc/99/07/98/395990798.db2.gz LDXJWHFWVBHENY-QMMMGPOBSA-N 0 0 310.379 0.227 50 0 DCAARN CCCOc1ccc(CN2CCN(S(C)(=O)=O)CC2)cn1 ZINC000065267579 395992286 /nfs/dbraw/zinc/99/22/86/395992286.db2.gz MUXCUNQVJBBQQO-UHFFFAOYSA-N 0 0 313.423 0.948 50 0 DCAARN CCCOc1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)cn1 ZINC000065267557 395992373 /nfs/dbraw/zinc/99/23/73/395992373.db2.gz VONBJVMXIPVTCT-CYBMUJFWSA-N 0 0 313.423 0.994 50 0 DCAARN CCOCCCNC(=O)[C@@H]1CCCN(c2cnn(C)c(=O)c2)C1 ZINC000065313723 395992443 /nfs/dbraw/zinc/99/24/43/395992443.db2.gz BGUZNQRADOHRFF-CYBMUJFWSA-N 0 0 322.409 0.540 50 0 DCAARN CN(CCn1cccn1)c1nccc(N2CCC(O)CC2)n1 ZINC000065452574 395994131 /nfs/dbraw/zinc/99/41/31/395994131.db2.gz WUIBTLHEMXZZMV-UHFFFAOYSA-N 0 0 302.382 0.771 50 0 DCAARN CC1(C)CN(C(=O)[C@H](CO)NC(=O)c2ccccc2)CCO1 ZINC000252497388 396022009 /nfs/dbraw/zinc/02/20/09/396022009.db2.gz QFKSEAYDXWGVTD-ZDUSSCGKSA-N 0 0 306.362 0.415 50 0 DCAARN O=C(c1cc2n(n1)CCN(Cc1ncc[nH]1)C2)N1CCCC1 ZINC000067446680 396026561 /nfs/dbraw/zinc/02/65/61/396026561.db2.gz CJQLYQRASGXUGN-UHFFFAOYSA-N 0 0 300.366 0.858 50 0 DCAARN Nc1n[nH]c(CC(=O)N2CCCC[C@@H]2CCn2cccn2)n1 ZINC000067489578 396027028 /nfs/dbraw/zinc/02/70/28/396027028.db2.gz CMGIHAANHSDSLB-LLVKDONJSA-N 0 0 303.370 0.597 50 0 DCAARN Cc1cccnc1C(=O)N[C@@H]1CN(c2ncccn2)C[C@H]1CO ZINC000253406688 396027311 /nfs/dbraw/zinc/02/73/11/396027311.db2.gz JCPHTWIGWLAWDG-QWHCGFSZSA-N 0 0 313.361 0.407 50 0 DCAARN CC(C)CN1C[C@H](C(=O)N2Cc3cnn(CCO)c3C2)CC1=O ZINC000067513567 396027704 /nfs/dbraw/zinc/02/77/04/396027704.db2.gz OVRHLOYFPIFZAQ-GFCCVEGCSA-N 0 0 320.393 0.222 50 0 DCAARN CC(C)[C@H]1OCC[C@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000253433609 396028949 /nfs/dbraw/zinc/02/89/49/396028949.db2.gz ZJAFSJUSMAJZAZ-CHWSQXEVSA-N 0 0 318.439 0.541 50 0 DCAARN CCn1ccc(C(=O)N2CCC[C@H](CO)CCNC(=O)CC2)n1 ZINC000257178438 396034378 /nfs/dbraw/zinc/03/43/78/396034378.db2.gz GHEHZCJVFXXBCC-ZDUSSCGKSA-N 0 0 322.409 0.644 50 0 DCAARN O=C([C@H]1COc2ccccc2O1)N1CCOCCNC(=O)CC1 ZINC000257182874 396034434 /nfs/dbraw/zinc/03/44/34/396034434.db2.gz GXTGYOSUYRQKSY-CQSZACIVSA-N 0 0 320.345 0.192 50 0 DCAARN COc1ccc(-n2ccnc2CN2CC[C@@]([NH3+])(C(=O)[O-])C2)cc1 ZINC000067879704 396037906 /nfs/dbraw/zinc/03/79/06/396037906.db2.gz DVTVXQZUJZLWPI-INIZCTEOSA-N 0 0 316.361 0.869 50 0 DCAARN CC(C)CC(=O)Nc1ccnn1C1CCN(CC(N)=O)CC1 ZINC000067908411 396038685 /nfs/dbraw/zinc/03/86/85/396038685.db2.gz CTFUBTPCCDMTLF-UHFFFAOYSA-N 0 0 307.398 0.990 50 0 DCAARN Nc1cc(N2Cc3cnn(CCO)c3C2)nc(N2CCCC2)n1 ZINC000067947716 396039511 /nfs/dbraw/zinc/03/95/11/396039511.db2.gz PBCWZCAHKMJVSN-UHFFFAOYSA-N 0 0 315.381 0.368 50 0 DCAARN Cc1ccsc1[C@@H]1CCN(C(=O)CS(C)(=O)=O)C[C@H]1O ZINC000067955228 396040719 /nfs/dbraw/zinc/04/07/19/396040719.db2.gz QEPMCZJITRAQNH-GHMZBOCLSA-N 0 0 317.432 0.778 50 0 DCAARN CC[C@@H](C)NC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000069148541 396072019 /nfs/dbraw/zinc/07/20/19/396072019.db2.gz CFRPABURRVCVJO-LLVKDONJSA-N 0 0 305.444 0.593 50 0 DCAARN CO[C@@H]1CN(C(=O)Cn2c(=O)cnc3ccccc32)C[C@@H]1OC ZINC000277129176 396050780 /nfs/dbraw/zinc/05/07/80/396050780.db2.gz ZVBCWKPAUXZAIA-OKILXGFUSA-N 0 0 317.345 0.269 50 0 DCAARN Cc1cc(C)cc([C@@H](O)CNC(=O)NCc2nnn(C)n2)c1 ZINC000252492668 396021144 /nfs/dbraw/zinc/02/11/44/396021144.db2.gz MRWNTSOLTPWRNT-LBPRGKRZSA-N 0 0 304.354 0.360 50 0 DCAARN COC(=O)CNC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O ZINC000252495531 396021656 /nfs/dbraw/zinc/02/16/56/396021656.db2.gz OSHGYHFBMLSBFG-NSHDSACASA-N 0 0 319.317 0.385 50 0 DCAARN Cn1cc(CN2CCCN(C(=O)COCC3CC3)CC2)cn1 ZINC000069740250 396088324 /nfs/dbraw/zinc/08/83/24/396088324.db2.gz UKJRZOLKXJCSSV-UHFFFAOYSA-N 0 0 306.410 0.881 50 0 DCAARN CN(C)S(=O)(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000069740067 396088827 /nfs/dbraw/zinc/08/88/27/396088827.db2.gz AMTBQLQCHAWAAZ-UHFFFAOYSA-N 0 0 303.359 0.342 50 0 DCAARN Cn1ncc(N2CCC[C@H](CC(=O)N3CCOCC3)C2)cc1=O ZINC000169763298 396090815 /nfs/dbraw/zinc/09/08/15/396090815.db2.gz ZWEDEIDGUGQYPQ-CYBMUJFWSA-N 0 0 320.393 0.246 50 0 DCAARN CCS(=O)(=O)N1CCC2(CN(C(C)=O)C[C@H]2COC)CC1 ZINC000169782528 396091806 /nfs/dbraw/zinc/09/18/06/396091806.db2.gz WEWNNRBLYQWHKI-ZDUSSCGKSA-N 0 0 318.439 0.543 50 0 DCAARN COCCC(=O)N1CC[C@H](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000169781914 396091920 /nfs/dbraw/zinc/09/19/20/396091920.db2.gz YMSFMOLQUSHPDJ-ZDUSSCGKSA-N 0 0 318.439 0.543 50 0 DCAARN O=C(NC[C@H]1CCCCC(=O)N1)c1n[nH]c(=O)c2ccccc21 ZINC000169785170 396092617 /nfs/dbraw/zinc/09/26/17/396092617.db2.gz JYMMWGHTVATFII-SNVBAGLBSA-N 0 0 314.345 0.712 50 0 DCAARN Cc1noc(C)c1CC(=O)N[C@@H]1CCc2nn(C)c(=O)n2CC1 ZINC000169783873 396092761 /nfs/dbraw/zinc/09/27/61/396092761.db2.gz URWJDLCNQYPPON-LLVKDONJSA-N 0 0 319.365 0.250 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC000069870698 396093087 /nfs/dbraw/zinc/09/30/87/396093087.db2.gz AIWBBFSBVHPFLT-OAHLLOKOSA-N 0 0 305.422 0.643 50 0 DCAARN O=C(C[C@H]1CCCN(c2cn[nH]c(=O)c2)C1)N1CCSCC1 ZINC000169791455 396093423 /nfs/dbraw/zinc/09/34/23/396093423.db2.gz JCBLPYHDYSDQJP-GFCCVEGCSA-N 0 0 322.434 0.952 50 0 DCAARN COCc1nnc2n1CC[C@H](NC(=O)CCn1cccn1)CC2 ZINC000169790397 396093526 /nfs/dbraw/zinc/09/35/26/396093526.db2.gz VSOCNLPBVJVDFI-GFCCVEGCSA-N 0 0 318.381 0.532 50 0 DCAARN COC1CN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000069897467 396093758 /nfs/dbraw/zinc/09/37/58/396093758.db2.gz HEIQDIZIPYKBIY-UHFFFAOYSA-N 0 0 319.405 0.788 50 0 DCAARN CCc1ncc2c(n1)CN(CC(=O)NC1CCOCC1)CC2 ZINC000069951458 396096126 /nfs/dbraw/zinc/09/61/26/396096126.db2.gz TVEHMPQJQOFDQU-UHFFFAOYSA-N 0 0 304.394 0.692 50 0 DCAARN C[C@@H](O)CN1CCN(CC(=O)N(C)Cc2ccsc2)CC1 ZINC000069949754 396096253 /nfs/dbraw/zinc/09/62/53/396096253.db2.gz YLDLTLFICNQRSB-CYBMUJFWSA-N 0 0 311.451 0.705 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)[C@H](C)OC[C@@H]2CCCCO2)CC1 ZINC000070021981 396098054 /nfs/dbraw/zinc/09/80/54/396098054.db2.gz BSAAGXQZIDGXAZ-KKUMJFAQSA-N 0 0 314.426 0.486 50 0 DCAARN CCCCc1nc(CN2CCO[C@H](Cn3cncn3)C2)no1 ZINC000070039704 396098882 /nfs/dbraw/zinc/09/88/82/396098882.db2.gz DICLLVNRGUHPPR-LBPRGKRZSA-N 0 0 306.370 0.905 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)c2cc3c(s2)CCOC3)CC1 ZINC000070038769 396098934 /nfs/dbraw/zinc/09/89/34/396098934.db2.gz NJGFXCBUXJBPEN-LLVKDONJSA-N 0 0 310.419 0.959 50 0 DCAARN Cc1nnc2n1CCN(C(=O)c1cn(-c3ccccc3)nn1)C2 ZINC000071185972 396111235 /nfs/dbraw/zinc/11/12/35/396111235.db2.gz SBWXYXGYXMFIKD-UHFFFAOYSA-N 0 0 309.333 0.823 50 0 DCAARN COc1cn(CC(=O)NCc2ccccn2)c(CO)cc1=O ZINC000071285795 396111663 /nfs/dbraw/zinc/11/16/63/396111663.db2.gz YENAHNSPNZDLAE-UHFFFAOYSA-N 0 0 303.318 0.061 50 0 DCAARN COc1ccc(-n2ccnc2S(=O)(=O)C[C@@H](O)CO)cc1 ZINC000278212120 396112616 /nfs/dbraw/zinc/11/26/16/396112616.db2.gz PEBJUKBGPOJFHQ-NSHDSACASA-N 0 0 312.347 0.008 50 0 DCAARN CC(C)n1c(SCC(=O)N2CCNC2=O)nnc1N(C)C ZINC000071799807 396115374 /nfs/dbraw/zinc/11/53/74/396115374.db2.gz QBMYZYJLFSITFZ-UHFFFAOYSA-N 0 0 312.399 0.569 50 0 DCAARN Cc1nccc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000071816961 396116162 /nfs/dbraw/zinc/11/61/62/396116162.db2.gz NVAKYWDNWGEGGO-CYBMUJFWSA-N 0 0 318.377 0.496 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)/C=C/c2cnn(-c3ccccc3)n2)C1 ZINC000071821058 396116402 /nfs/dbraw/zinc/11/64/02/396116402.db2.gz UMSOJUYCQLPWLU-SYTKJHMZSA-N 0 0 311.345 0.614 50 0 DCAARN C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H](c2ccccc2)O1 ZINC000071827261 396116993 /nfs/dbraw/zinc/11/69/93/396116993.db2.gz GTFHKGHMFKMVJC-WCQYABFASA-N 0 0 317.345 0.527 50 0 DCAARN CC(C)c1noc(CN2CCN(C(=O)c3cnccn3)CC2)n1 ZINC000071839648 396118682 /nfs/dbraw/zinc/11/86/82/396118682.db2.gz RGKJRPATCBUFNU-UHFFFAOYSA-N 0 0 316.365 0.941 50 0 DCAARN CC(C)c1noc(CN2CCN(C(=O)Cn3cncn3)CC2)n1 ZINC000071839641 396118955 /nfs/dbraw/zinc/11/89/55/396118955.db2.gz XNZAZXYDKPLEIF-UHFFFAOYSA-N 0 0 319.369 0.129 50 0 DCAARN Cc1csc(N2CCN(c3ccc4nnnn4n3)C[C@@H]2C)n1 ZINC000071859483 396119831 /nfs/dbraw/zinc/11/98/31/396119831.db2.gz BZURWOJDZXRMTL-JTQLQIEISA-N 0 0 316.394 0.999 50 0 DCAARN CC(C)(C)[C@@H](O)CN1CCN(C(=O)c2nccnc2N)CC1 ZINC000071871862 396120773 /nfs/dbraw/zinc/12/07/73/396120773.db2.gz ZCIOTLVGZKSZFE-NSHDSACASA-N 0 0 307.398 0.224 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)COc2ccccc2)CC1 ZINC000071881978 396122205 /nfs/dbraw/zinc/12/22/05/396122205.db2.gz PDHNKVVHCLPNHD-HNNXBMFYSA-N 0 0 322.405 0.607 50 0 DCAARN CS(=O)(=O)c1ccc(OCCNC(=O)c2cn[nH]n2)cc1 ZINC000071879563 396122328 /nfs/dbraw/zinc/12/23/28/396122328.db2.gz IEWAFMYBTOCDIA-UHFFFAOYSA-N 0 0 310.335 0.017 50 0 DCAARN O=C(CCN1C(=O)CSc2ccccc21)N1CCNC(=O)C1 ZINC000071892311 396123305 /nfs/dbraw/zinc/12/33/05/396123305.db2.gz FAABSQLEGDMHCE-UHFFFAOYSA-N 0 0 319.386 0.474 50 0 DCAARN CC/C=C(/C)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000071893417 396123402 /nfs/dbraw/zinc/12/34/02/396123402.db2.gz OHRGUEJYIHEMGF-AGKVCYSUSA-N 0 0 323.437 0.734 50 0 DCAARN CC(C)c1noc(N2CCN(CC(=O)N3CCOCC3)CC2)n1 ZINC000071893812 396123425 /nfs/dbraw/zinc/12/34/25/396123425.db2.gz UTSGZQVJLHCULA-UHFFFAOYSA-N 0 0 323.397 0.174 50 0 DCAARN O=C(NCCS(=O)(=O)N1CCSCC1)c1ccsc1 ZINC000071884349 396123579 /nfs/dbraw/zinc/12/35/79/396123579.db2.gz WXCYPBGSMOEEMT-UHFFFAOYSA-N 0 0 320.461 0.857 50 0 DCAARN CC(C)C[C@H](CNC(=O)[C@H]1CCOC1)NC(=O)[C@@H]1CCOC1 ZINC000071893509 396123849 /nfs/dbraw/zinc/12/38/49/396123849.db2.gz HWFDGSUOTKMRMZ-BFHYXJOUSA-N 0 0 312.410 0.707 50 0 DCAARN CN(Cc1nnc2ccccn21)c1ncc(S(N)(=O)=O)s1 ZINC000071904157 396124534 /nfs/dbraw/zinc/12/45/34/396124534.db2.gz QBAUBFLIGDESOV-UHFFFAOYSA-N 0 0 324.391 0.470 50 0 DCAARN CCCNC(=O)Cn1nnc(CN(C)C(=O)c2ccccc2)n1 ZINC000071916349 396125121 /nfs/dbraw/zinc/12/51/21/396125121.db2.gz DIQFWOFXIFNBQW-UHFFFAOYSA-N 0 0 316.365 0.472 50 0 DCAARN Cc1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)o1 ZINC000071924499 396125265 /nfs/dbraw/zinc/12/52/65/396125265.db2.gz YVFOTWSYLKRWMH-GFCCVEGCSA-N 0 0 312.391 0.533 50 0 DCAARN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@@H]1CCC(=O)N1 ZINC000072283682 396129584 /nfs/dbraw/zinc/12/95/84/396129584.db2.gz YHPAXXMRLPZUTQ-GXFFZTMASA-N 0 0 323.418 0.897 50 0 DCAARN NC(=O)NCCNC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1 ZINC000072288411 396129787 /nfs/dbraw/zinc/12/97/87/396129787.db2.gz VHJDSHPQBNTTLL-SSDOTTSWSA-N 0 0 316.770 0.679 50 0 DCAARN CCn1nc2c(cc1=O)CN(CC(=O)Nc1cc(C)on1)CC2 ZINC000072302162 396130673 /nfs/dbraw/zinc/13/06/73/396130673.db2.gz OXJNVUXAVBHVAQ-UHFFFAOYSA-N 0 0 317.349 0.556 50 0 DCAARN CS(=O)(=O)c1ccc(CCNC(=O)c2ccc[nH]c2=O)cc1 ZINC000072297204 396130675 /nfs/dbraw/zinc/13/06/75/396130675.db2.gz ZMWBEIGSQZIILM-UHFFFAOYSA-N 0 0 320.370 0.751 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)CCO2)[nH]1 ZINC000072299547 396130781 /nfs/dbraw/zinc/13/07/81/396130781.db2.gz WZZLMOHHNZHHFL-UPJWGTAASA-N 0 0 316.365 0.550 50 0 DCAARN CCn1nc2c(cc1=O)CN(CC(=O)Nc1ccncc1)CC2 ZINC000072302183 396130895 /nfs/dbraw/zinc/13/08/95/396130895.db2.gz FOHGZSVJVAYBGI-UHFFFAOYSA-N 0 0 313.361 0.655 50 0 DCAARN NC(=O)[C@@H]1CCCN(C(=O)COCCOc2ccccc2)C1 ZINC000069349604 396075950 /nfs/dbraw/zinc/07/59/50/396075950.db2.gz AJPKIDOIKFSXDE-CYBMUJFWSA-N 0 0 306.362 0.806 50 0 DCAARN O=C(Cn1ccc(C(F)(F)F)n1)NCC(=O)Nc1cn[nH]c1 ZINC000069486630 396080581 /nfs/dbraw/zinc/08/05/81/396080581.db2.gz OLXHPZVUGHLEAJ-UHFFFAOYSA-N 0 0 316.243 0.380 50 0 DCAARN Cc1nc(CN2CCN(C(=O)Cc3c(C)noc3C)CC2)no1 ZINC000069514107 396081312 /nfs/dbraw/zinc/08/13/12/396081312.db2.gz FJHDKHPEZPIWNS-UHFFFAOYSA-N 0 0 319.365 0.870 50 0 DCAARN CCN(C(=O)[C@H]1Cc2cc(Cl)ccc2O1)[C@H]1CC(=O)NC1=O ZINC000069518437 396081472 /nfs/dbraw/zinc/08/14/72/396081472.db2.gz IDRALNGVRUKRPR-CMPLNLGQSA-N 0 0 322.748 0.907 50 0 DCAARN NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1OC(F)F ZINC000069565047 396082964 /nfs/dbraw/zinc/08/29/64/396082964.db2.gz ZKYAUWZAMJIJIW-QMMMGPOBSA-N 0 0 320.317 0.926 50 0 DCAARN COc1ccc(O)c(C(=O)N2CCc3nn(C)c(=O)cc3C2)c1 ZINC000177829058 396184875 /nfs/dbraw/zinc/18/48/75/396184875.db2.gz SJBFVYURQOYMFQ-UHFFFAOYSA-N 0 0 315.329 0.693 50 0 DCAARN COCC(=O)N1CCN(Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181102942 396236951 /nfs/dbraw/zinc/23/69/51/396236951.db2.gz SCEZJFLFGJSEJY-UHFFFAOYSA-N 0 0 319.409 0.781 50 0 DCAARN CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc2c(c1)OCO2 ZINC000078716666 396252713 /nfs/dbraw/zinc/25/27/13/396252713.db2.gz IPLPRBWZVZJIMH-NSHDSACASA-N 0 0 305.334 0.835 50 0 DCAARN CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)n1 ZINC000078890053 396256127 /nfs/dbraw/zinc/25/61/27/396256127.db2.gz NZJUZBWGVDNBQR-VHSXEESVSA-N 0 0 321.381 0.281 50 0 DCAARN CCn1ccnc1S(=O)(=O)CC(=O)N(C)CC(F)(F)F ZINC000079013842 396260273 /nfs/dbraw/zinc/26/02/73/396260273.db2.gz LYBLWLFPEYBTOM-UHFFFAOYSA-N 0 0 313.301 0.697 50 0 DCAARN COCCN(Cc1ccccn1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000264325577 396271271 /nfs/dbraw/zinc/27/12/71/396271271.db2.gz VIMFCAJCGJSPLC-HNNXBMFYSA-N 0 0 322.409 0.570 50 0 DCAARN CN1CC2(CC1=O)CCN(C(=O)c1cn3cccnc3n1)CC2 ZINC000077379403 396220123 /nfs/dbraw/zinc/22/01/23/396220123.db2.gz KTOAXXZKVOQAFB-UHFFFAOYSA-N 0 0 313.361 0.814 50 0 DCAARN O=C([C@@H]1CNCC(=O)N1)N1CCC(CCc2ccccc2)CC1 ZINC000077471599 396223913 /nfs/dbraw/zinc/22/39/13/396223913.db2.gz QKPFCVHUOREXJD-INIZCTEOSA-N 0 0 315.417 0.946 50 0 DCAARN CCOC(=O)C[C@H]1CCCCN1C(=O)CCn1nnnc1C ZINC000077523770 396225055 /nfs/dbraw/zinc/22/50/55/396225055.db2.gz ZCNYDTSOLMQVPB-GFCCVEGCSA-N 0 0 309.370 0.706 50 0 DCAARN CCOCCC(=O)NCC[C@@H]1CCCCN1S(C)(=O)=O ZINC000584887417 396632319 /nfs/dbraw/zinc/63/23/19/396632319.db2.gz HSOPNUNRQJAMQP-LBPRGKRZSA-N 0 0 306.428 0.733 50 0 DCAARN Cc1cc(C(F)(F)F)nc(CNC(=O)c2c[nH]c(=O)cn2)n1 ZINC000584890854 396634154 /nfs/dbraw/zinc/63/41/54/396634154.db2.gz SBXKBBKVICCJRK-UHFFFAOYSA-N 0 0 313.239 0.817 50 0 DCAARN CN(C)C(=O)c1ccc(CNC(=O)N(C)Cc2ncon2)o1 ZINC000584892765 396634213 /nfs/dbraw/zinc/63/42/13/396634213.db2.gz GEMRWCVTUZNKTO-UHFFFAOYSA-N 0 0 307.310 0.706 50 0 DCAARN Cc1ccnc(CC(=O)N2CCN(c3ncc[nH]c3=O)CC2)c1 ZINC000584893413 396634706 /nfs/dbraw/zinc/63/47/06/396634706.db2.gz ZJBHOINPEZPBCZ-UHFFFAOYSA-N 0 0 313.361 0.365 50 0 DCAARN Cc1ccc(CCC(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 ZINC000584893906 396635003 /nfs/dbraw/zinc/63/50/03/396635003.db2.gz SKQVJOLJIKRLGT-IRXDYDNUSA-N 0 0 318.417 0.832 50 0 DCAARN Cc1n[nH]cc1CN(C)C(=O)c1ccc(OCC(N)=O)cc1 ZINC000584900273 396636112 /nfs/dbraw/zinc/63/61/12/396636112.db2.gz UUKOWLOBJBPRNM-UHFFFAOYSA-N 0 0 302.334 0.854 50 0 DCAARN Cc1ncn(CCNC(=O)[C@H]2CCCCn3nnnc32)c1C ZINC000584900337 396636307 /nfs/dbraw/zinc/63/63/07/396636307.db2.gz BLHHFQLWXMWJGE-LBPRGKRZSA-N 0 0 303.370 0.570 50 0 DCAARN Cn1ccn2ncc(C(=O)N3CCC4(CNC(=O)O4)CC3)c12 ZINC000584900410 396636440 /nfs/dbraw/zinc/63/64/40/396636440.db2.gz OFRSDARCBZZCDM-UHFFFAOYSA-N 0 0 303.322 0.387 50 0 DCAARN COCc1cn([C@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)nn1 ZINC000585149638 396642224 /nfs/dbraw/zinc/64/22/24/396642224.db2.gz FLOSJHJVHRUIOL-LBPRGKRZSA-N 0 0 304.354 0.554 50 0 DCAARN CCOc1ccc(C(=O)N2CC(CN3C(=O)CCC3=O)C2)cn1 ZINC000585148943 396642269 /nfs/dbraw/zinc/64/22/69/396642269.db2.gz QSMVWWFXLYDSSA-UHFFFAOYSA-N 0 0 317.345 0.701 50 0 DCAARN C[C@@H](C(=O)N[C@H]1CCSC1=O)n1nc2c(cc1=O)CCC2 ZINC000585150530 396642287 /nfs/dbraw/zinc/64/22/87/396642287.db2.gz PDKUFOSFRSOMMY-KWQFWETISA-N 0 0 307.375 0.441 50 0 DCAARN COCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(C(=O)[O-])o2)C1 ZINC000299799560 396714063 /nfs/dbraw/zinc/71/40/63/396714063.db2.gz SKNWMXBVBOBKMN-LLVKDONJSA-N 0 0 310.350 0.952 50 0 DCAARN CCO[C@@H](CS(=O)(=O)N1CCCC[C@]1(C)C(N)=O)C1CC1 ZINC000625119161 396776266 /nfs/dbraw/zinc/77/62/66/396776266.db2.gz MAIOBRKDESTWAH-GXTWGEPZSA-N 0 0 318.439 0.861 50 0 DCAARN Cn1cc(S(=O)(=O)NC[C@@H]2CCCN2c2ncccn2)cn1 ZINC000618256068 396942662 /nfs/dbraw/zinc/94/26/62/396942662.db2.gz CNMJEYOBQWUFFY-NSHDSACASA-N 0 0 322.394 0.157 50 0 DCAARN Cc1ccc(CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cn1 ZINC000044954883 292105244 /nfs/dbraw/zinc/10/52/44/292105244.db2.gz VKQVDFSJEHPUPE-ZDUSSCGKSA-N 0 0 311.407 0.820 50 0 DCAARN CCOC(=O)CCC(=O)NCc1cc(-c2cnccn2)nn1C ZINC000390826076 397300943 /nfs/dbraw/zinc/30/09/43/397300943.db2.gz AYWRQUSWTXXTJV-UHFFFAOYSA-N 0 0 317.349 0.837 50 0 DCAARN CCc1ncnc(O[C@@H]2CCN(C(=O)Cn3cncn3)C2)c1F ZINC000390827873 397302660 /nfs/dbraw/zinc/30/26/60/397302660.db2.gz LJJDBUUJXVKIGN-SNVBAGLBSA-N 0 0 320.328 0.450 50 0 DCAARN CCN(C1CCN(Cc2cn(C)nn2)CC1)S(C)(=O)=O ZINC000407950877 397334181 /nfs/dbraw/zinc/33/41/81/397334181.db2.gz GZQQLOQPUMWOGG-UHFFFAOYSA-N 0 0 301.416 0.061 50 0 DCAARN CC[C@H](C)CS(=O)(=O)N1CCSC[C@H]1S(C)(=O)=O ZINC000408513736 397358285 /nfs/dbraw/zinc/35/82/85/397358285.db2.gz VGXNRLLGQOBZEU-VHSXEESVSA-N 0 0 315.482 0.782 50 0 DCAARN COc1cc(C=c2sc3ncnn3c2=O)cc(OC)c1OC ZINC000606331219 397679040 /nfs/dbraw/zinc/67/90/40/397679040.db2.gz RXIWKXLJRRVHBV-UHFFFAOYSA-N 0 0 319.342 0.725 50 0 DCAARN COc1coc(C(=O)NCc2nnc3n2CCCCC3)cc1=O ZINC000328650969 159017560 /nfs/dbraw/zinc/01/75/60/159017560.db2.gz JKWGLBDTISAACI-UHFFFAOYSA-N 0 0 318.333 0.896 50 0 DCAARN Cn1nc([C@H]2CCCOC2)cc1NC(=O)CCn1ccnn1 ZINC000328753865 159026552 /nfs/dbraw/zinc/02/65/52/159026552.db2.gz SCGVPFZWBIEDHL-NSHDSACASA-N 0 0 304.354 0.934 50 0 DCAARN Cc1nnc(CC(=O)N2CCN(c3ccccc3)C(=O)C2)o1 ZINC000329791002 159119951 /nfs/dbraw/zinc/11/99/51/159119951.db2.gz DFJURUPYJGCJRM-UHFFFAOYSA-N 0 0 300.318 0.796 50 0 DCAARN Cc1cnn(C)c1S(=O)(=O)NCCCN1CCCCC1=O ZINC000330583473 159197682 /nfs/dbraw/zinc/19/76/82/159197682.db2.gz KJEDXMNQNXGASN-UHFFFAOYSA-N 0 0 314.411 0.409 50 0 DCAARN CCn1c(=O)c2c(nc3n2CC(C)=NN3C(C)C)n(C)c1=O ZINC000010386905 415149811 /nfs/dbraw/zinc/14/98/11/415149811.db2.gz HOKVAFFLEVSBOT-UHFFFAOYSA-N 0 0 304.354 0.521 50 0 DCAARN NC(=O)[C@H](c1ccccc1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000025318729 415161595 /nfs/dbraw/zinc/16/15/95/415161595.db2.gz BETKBAVZZQQIIQ-INIZCTEOSA-N 0 0 316.405 0.109 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)c2cccnc2OC)CC1 ZINC000025235493 415162015 /nfs/dbraw/zinc/16/20/15/415162015.db2.gz MZBQDRZDUDWJIM-UHFFFAOYSA-N 0 0 306.366 0.030 50 0 DCAARN CCCCOC(=O)C1=C(C)N[C@]2(O)c3ccccc3C(=O)[C@]12O ZINC000006507086 415133117 /nfs/dbraw/zinc/13/31/17/415133117.db2.gz MIQWYWWCDGGBGC-SJORKVTESA-N 0 0 317.341 0.980 50 0 DCAARN C[C@@]1(NC(=O)CSc2ccccn2)CCS(=O)(=O)C1 ZINC000007699212 415142134 /nfs/dbraw/zinc/14/21/34/415142134.db2.gz UOMIABQUUQXOPI-GFCCVEGCSA-N 0 0 300.405 0.867 50 0 DCAARN O=C(NCCCO)[C@@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000008791924 415145410 /nfs/dbraw/zinc/14/54/10/415145410.db2.gz KYMRZDITJWISAV-SNVBAGLBSA-N 0 0 304.354 0.068 50 0 biogenic DCAARN Cc1nnc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)s1 ZINC000014715079 415148256 /nfs/dbraw/zinc/14/82/56/415148256.db2.gz LEZSHFYHXHASGH-UHFFFAOYSA-N 0 0 309.351 0.650 50 0 DCAARN COc1ccc([C@@H](NS(=O)(=O)N(C)C)c2nccn2C)cc1 ZINC000027966090 415179871 /nfs/dbraw/zinc/17/98/71/415179871.db2.gz VLUVTIQGHDCZPB-CYBMUJFWSA-N 0 0 324.406 0.914 50 0 DCAARN COc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1OC ZINC000027931151 415172014 /nfs/dbraw/zinc/17/20/14/415172014.db2.gz UQLFSZFLWFCULG-UHFFFAOYSA-N 0 0 314.407 0.948 50 0 DCAARN CC(=O)N1CCCN([C@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000027565522 415173457 /nfs/dbraw/zinc/17/34/57/415173457.db2.gz KRJAKBITCNYMSM-SNVBAGLBSA-N 0 0 307.402 0.135 50 0 DCAARN C[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)[C@@H]1CCCO1 ZINC000027883840 415174640 /nfs/dbraw/zinc/17/46/40/415174640.db2.gz DGUCYLHTKYVHCT-SRVKXCTJSA-N 0 0 304.412 0.484 50 0 DCAARN CC(=O)NCCNC(=O)c1nc(N2CCCC2)ncc1Cl ZINC000044311306 415218340 /nfs/dbraw/zinc/21/83/40/415218340.db2.gz VPGZEEKCKOFHAT-UHFFFAOYSA-N 0 0 311.773 0.596 50 0 DCAARN COc1ccccc1OCCNS(=O)(=O)N1CCOCC1 ZINC000044896133 415232938 /nfs/dbraw/zinc/23/29/38/415232938.db2.gz IQPHWOKHWQCQPR-UHFFFAOYSA-N 0 0 316.379 0.241 50 0 DCAARN COC[C@H](C)NC(=O)CS(=O)(=O)c1cc(F)ccc1F ZINC000044947473 415235147 /nfs/dbraw/zinc/23/51/47/415235147.db2.gz ZQKKPDOBENABLU-QMMMGPOBSA-N 0 0 307.318 0.890 50 0 DCAARN Cc1cc(NC(=O)COc2ccc(S(N)(=O)=O)cc2)no1 ZINC000044966008 415238657 /nfs/dbraw/zinc/23/86/57/415238657.db2.gz MMAVJSPGKKJLMG-UHFFFAOYSA-N 0 0 311.319 0.648 50 0 DCAARN C[C@H](Cc1ccco1)NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000044970323 415238714 /nfs/dbraw/zinc/23/87/14/415238714.db2.gz HKAGUWDNAFXFNT-LLVKDONJSA-N 0 0 315.395 0.497 50 0 DCAARN CC(C)(C)c1nc(CN2CCC[C@@H](NS(C)(=O)=O)C2)no1 ZINC000044977454 415239242 /nfs/dbraw/zinc/23/92/42/415239242.db2.gz JKXNCRLQCUUFGW-SNVBAGLBSA-N 0 0 316.427 0.881 50 0 DCAARN CCOc1ccc(-c2nnn(CN3CCNC(=O)CC3)n2)cc1 ZINC000045721920 415251254 /nfs/dbraw/zinc/25/12/54/415251254.db2.gz VNIJGAURWSRDIL-UHFFFAOYSA-N 0 0 316.365 0.518 50 0 DCAARN C[C@@H](O)C(=O)N1CCN(C(=O)N[C@@H](C2CC2)C(F)(F)F)CC1 ZINC000332112610 415251467 /nfs/dbraw/zinc/25/14/67/415251467.db2.gz FOQWWHZORKPYQU-SCZZXKLOSA-N 0 0 323.315 0.562 50 0 DCAARN COCCn1cc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000045674120 415251601 /nfs/dbraw/zinc/25/16/01/415251601.db2.gz OXYZSFXTWQIZKN-JTQLQIEISA-N 0 0 316.383 0.086 50 0 DCAARN Cc1cc(CS(=O)(=O)CC(=O)NC[C@H]2CCCO2)on1 ZINC000046109660 415255736 /nfs/dbraw/zinc/25/57/36/415255736.db2.gz XKXQWZJZRNXFPT-SNVBAGLBSA-N 0 0 302.352 0.193 50 0 DCAARN Cc1csc(N2CCN(CC(=O)N3CCO[C@H](C)C3)CC2)n1 ZINC000047890669 415280330 /nfs/dbraw/zinc/28/03/30/415280330.db2.gz YVUSJWQTEQOZQM-CYBMUJFWSA-N 0 0 324.450 0.821 50 0 DCAARN NC(=O)CN1CCC(C(=O)NCCc2ccccc2F)CC1 ZINC000047937015 415283259 /nfs/dbraw/zinc/28/32/59/415283259.db2.gz SFGFVEQXUOAGHX-UHFFFAOYSA-N 0 0 307.369 0.682 50 0 DCAARN Cc1nn(C)c2ncc(C(=O)N[C@H](C)CN3CCOCC3)cc12 ZINC000044534807 415222105 /nfs/dbraw/zinc/22/21/05/415222105.db2.gz QZLLJCGIYHXDSB-LLVKDONJSA-N 0 0 317.393 0.727 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCCNS(C)(=O)=O)cc1C ZINC000044784137 415224054 /nfs/dbraw/zinc/22/40/54/415224054.db2.gz PAFVWDDKDITQMJ-UHFFFAOYSA-N 0 0 320.436 0.521 50 0 DCAARN NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)C1 ZINC000044893717 415229784 /nfs/dbraw/zinc/22/97/84/415229784.db2.gz GJTPHPIIUOUKFK-YPMHNXCESA-N 0 0 302.330 0.492 50 0 DCAARN O=C(CN1CCCC1=O)N1CCCN(c2nccs2)CC1 ZINC000064473506 415350609 /nfs/dbraw/zinc/35/06/09/415350609.db2.gz JLHKQYGODYLOIV-UHFFFAOYSA-N 0 0 308.407 0.804 50 0 DCAARN CN(C)[C@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccco1 ZINC000048289069 415285890 /nfs/dbraw/zinc/28/58/90/415285890.db2.gz QDSXEIZVLRBDIT-NWDGAFQWSA-N 0 0 308.382 0.789 50 0 DCAARN CCN1C[C@@H](C(=O)NCc2ccc(-n3cncn3)nc2)CC1=O ZINC000048264266 415286649 /nfs/dbraw/zinc/28/66/49/415286649.db2.gz MFBPQNLYAHKGKQ-LBPRGKRZSA-N 0 0 314.349 0.147 50 0 DCAARN CCN(C[C@@H]1CCOC1)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000048265499 415287524 /nfs/dbraw/zinc/28/75/24/415287524.db2.gz SDHTZNXPBYGRPY-NSHDSACASA-N 0 0 319.365 0.015 50 0 DCAARN CC(C)C(=O)N1CCC[C@H](C(=O)NCCNc2cnccn2)C1 ZINC000048354598 415288994 /nfs/dbraw/zinc/28/89/94/415288994.db2.gz UZCFXMSPFXQNOX-ZDUSSCGKSA-N 0 0 319.409 0.899 50 0 DCAARN CNS(=O)(=O)c1cccc(CNC(=O)NCc2cc[nH]n2)c1 ZINC000048354597 415292517 /nfs/dbraw/zinc/29/25/17/415292517.db2.gz MSTBDVPCOMTCAG-UHFFFAOYSA-N 0 0 323.378 0.317 50 0 DCAARN CNC(=O)[C@H](CC(C)C)NC(=O)c1cnc2sccn2c1=O ZINC000048326731 415292821 /nfs/dbraw/zinc/29/28/21/415292821.db2.gz MSTWVCJDBCGDKS-JTQLQIEISA-N 0 0 322.390 0.647 50 0 DCAARN Cc1cc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)n(C)n1 ZINC000048939661 415299706 /nfs/dbraw/zinc/29/97/06/415299706.db2.gz NWVVMTIJMKMHIS-SECBINFHSA-N 0 0 303.409 0.587 50 0 DCAARN C[C@H](Cc1ccco1)NC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000048853107 415300424 /nfs/dbraw/zinc/30/04/24/415300424.db2.gz IARGFUCQMZSLDM-GHMZBOCLSA-N 0 0 300.380 0.945 50 0 DCAARN COC(=O)[C@H]1C[C@@H](O)CCN1Cc1ccc2c(c1)nnn2C ZINC000065370875 415357932 /nfs/dbraw/zinc/35/79/32/415357932.db2.gz IFZJCHYUNAGFNH-SMDDNHRTSA-N 0 0 304.350 0.467 50 0 DCAARN Cc1nn(CN2CCO[C@H](C(N)=O)C2)c(C)c1Br ZINC000068617450 415394109 /nfs/dbraw/zinc/39/41/09/415394109.db2.gz ALYVRDWELUYJRG-VIFPVBQESA-N 0 0 317.187 0.406 50 0 DCAARN CN(CCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000069921305 415404851 /nfs/dbraw/zinc/40/48/51/415404851.db2.gz ITWPFQRDDBIDHF-LBPRGKRZSA-N 0 0 317.432 0.579 50 0 DCAARN CN1C[C@@]2(CCN(C(=O)c3[nH]nc4c3CN(C)CC4)C2)OC1=O ZINC000072145673 415410763 /nfs/dbraw/zinc/41/07/63/415410763.db2.gz CIXODAKJUQCTAR-OAHLLOKOSA-N 0 0 319.365 0.064 50 0 DCAARN CC(C)S(=O)(=O)CCCN1CCC[C@H]1c1nc(=N)n(C)[nH]1 ZINC000332367744 415365606 /nfs/dbraw/zinc/36/56/06/415365606.db2.gz LGQNAOGOQQDNOY-NSHDSACASA-N 0 0 315.443 0.578 50 0 DCAARN COC(CNC(=O)CCN1C(=O)c2ccccc2C1=O)OC ZINC000067240362 415373835 /nfs/dbraw/zinc/37/38/35/415373835.db2.gz NGXVDPPJKYOAMZ-UHFFFAOYSA-N 0 0 306.318 0.408 50 0 DCAARN CNC(=O)CS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000067488452 415379346 /nfs/dbraw/zinc/37/93/46/415379346.db2.gz KAGMGEDASBRJDF-UHFFFAOYSA-N 0 0 305.739 0.631 50 0 DCAARN Cc1cccc(OCCCCC(=O)NCC(=O)NCCO)c1 ZINC000084211226 415491075 /nfs/dbraw/zinc/49/10/75/415491075.db2.gz GESRMINOOBKFCG-UHFFFAOYSA-N 0 0 308.378 0.769 50 0 DCAARN Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCc2c(F)ccc(F)c2C1 ZINC000084358669 415495629 /nfs/dbraw/zinc/49/56/29/415495629.db2.gz QGNUSELDGVMLRQ-UHFFFAOYSA-N 0 0 322.271 0.534 50 0 DCAARN CC[C@H]1CN(C(=O)CCn2cncn2)C[C@H]1N1CCOCC1 ZINC000084735850 415499074 /nfs/dbraw/zinc/49/90/74/415499074.db2.gz PHRFGOHVRPEDBY-UONOGXRCSA-N 0 0 307.398 0.237 50 0 DCAARN CCC(CC)c1cc(C(=O)N2CCN(CC(N)=O)CC2)on1 ZINC000084727715 415499312 /nfs/dbraw/zinc/49/93/12/415499312.db2.gz BCKQECQWHHPLEB-UHFFFAOYSA-N 0 0 308.382 0.821 50 0 DCAARN O=C(C[C@@H]1C=CCC1)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000075141577 415439058 /nfs/dbraw/zinc/43/90/58/415439058.db2.gz FZKYQEIAQRWSLR-CABCVRRESA-N 0 0 321.421 0.392 50 0 DCAARN CC(C)CCC(=O)NCC(=O)NC[C@@H](c1cnn(C)c1)N(C)C ZINC000075140652 415439333 /nfs/dbraw/zinc/43/93/33/415439333.db2.gz NWSTXAQXJIFZIY-AWEZNQCLSA-N 0 0 323.441 0.691 50 0 DCAARN CCO[C@H]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1(C)C ZINC000075143252 415439772 /nfs/dbraw/zinc/43/97/72/415439772.db2.gz LACPVOGDQXEZJK-NEPJUHHUSA-N 0 0 323.397 0.300 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)c2cc(=O)[nH]c3ccccc32)CC1 ZINC000075602818 415447598 /nfs/dbraw/zinc/44/75/98/415447598.db2.gz ZNZPGXWQBHUZFC-LBPRGKRZSA-N 0 0 315.373 0.667 50 0 DCAARN CCc1ncc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000095358653 415554889 /nfs/dbraw/zinc/55/48/89/415554889.db2.gz WWYMYFHYTOQWLK-UHFFFAOYSA-N 0 0 320.374 0.616 50 0 DCAARN COc1cccc2c1OC[C@@H](C(=O)NCCN1CCNC1=O)C2 ZINC000095356062 415555274 /nfs/dbraw/zinc/55/52/74/415555274.db2.gz UASQMPLIAONINW-LBPRGKRZSA-N 0 0 319.361 0.388 50 0 DCAARN Cn1cc(CCC(=O)N2CCC3(CC2)OCCC[C@H]3O)cn1 ZINC000095382471 415557105 /nfs/dbraw/zinc/55/71/05/415557105.db2.gz LGUNJLHTIYKJFP-CQSZACIVSA-N 0 0 307.394 0.885 50 0 DCAARN CC(C)c1nnc(NC(=O)Cn2nnc3ccccc3c2=O)[nH]1 ZINC000095478201 415564123 /nfs/dbraw/zinc/56/41/23/415564123.db2.gz DNWHWABUJOQPFW-UHFFFAOYSA-N 0 0 313.321 0.672 50 0 DCAARN O=C1CN(c2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)CCN1 ZINC000095526814 415564598 /nfs/dbraw/zinc/56/45/98/415564598.db2.gz IHQVMLVSBSBUHH-UHFFFAOYSA-N 0 0 312.329 0.189 50 0 DCAARN CN(C)C(=O)CN([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000095977256 415566983 /nfs/dbraw/zinc/56/69/83/415566983.db2.gz INKKLPUNJNRTJF-CYBMUJFWSA-N 0 0 302.440 0.896 50 0 DCAARN C[C@H]1CN=C(N2CCN(C(=O)c3cnn(C)c3N)CC2)S1 ZINC000095993025 415567408 /nfs/dbraw/zinc/56/74/08/415567408.db2.gz XUECJQHOMRWBJU-VIFPVBQESA-N 0 0 308.411 0.251 50 0 DCAARN C[C@@H]1CN=C(N2CCN(C(=O)c3cnn(C)c3N)CC2)S1 ZINC000095993024 415568009 /nfs/dbraw/zinc/56/80/09/415568009.db2.gz XUECJQHOMRWBJU-SECBINFHSA-N 0 0 308.411 0.251 50 0 DCAARN CCN1C(=O)C2=C(C(=O)c3ccc4ccccc4n3)NN[C@H]2C1=O ZINC000103462795 415618118 /nfs/dbraw/zinc/61/81/18/415618118.db2.gz PUPNBHXGDTUZEQ-GXTWGEPZSA-N 0 0 322.324 0.750 50 0 DCAARN C[C@@H](N[C@H]1CCNC1=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000097033541 415581721 /nfs/dbraw/zinc/58/17/21/415581721.db2.gz GBPBSNNLWKKEDB-KCJUWKMLSA-N 0 0 300.355 0.768 50 0 DCAARN O=C(c1nccn1C[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000097114088 415584591 /nfs/dbraw/zinc/58/45/91/415584591.db2.gz NZTRSNKPUQDQRS-OAHLLOKOSA-N 0 0 315.373 0.807 50 0 DCAARN Cn1ncc2c1ncnc2N1CCC[C@H](N2CCNC2=O)C1 ZINC000097160144 415586187 /nfs/dbraw/zinc/58/61/87/415586187.db2.gz PISARWURMXQONU-JTQLQIEISA-N 0 0 301.354 0.357 50 0 DCAARN O=C(NCCO)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000097110842 415586759 /nfs/dbraw/zinc/58/67/59/415586759.db2.gz ZRMBSIUKJCGWFL-VXGBXAGGSA-N 0 0 312.366 0.077 50 0 DCAARN Cn1cc(C(=O)NC2CCN(C[C@H](O)C(F)(F)F)CC2)cn1 ZINC000097141586 415587129 /nfs/dbraw/zinc/58/71/29/415587129.db2.gz BCPMHCUYWOVFSK-NSHDSACASA-N 0 0 320.315 0.538 50 0 DCAARN CC(C)N1c2ccccc2[C@@H](NC(=O)C(=O)NC2CC2)C1=O ZINC000101657886 415594628 /nfs/dbraw/zinc/59/46/28/415594628.db2.gz OGNVOZFZXMZJMF-CYBMUJFWSA-N 0 0 301.346 0.878 50 0 DCAARN CN(CC(=O)N1C[C@H](O)C[C@H]1C1CCCCC1)S(C)(=O)=O ZINC000107365526 415669623 /nfs/dbraw/zinc/66/96/23/415669623.db2.gz LOCCZFJAGBPYDV-OLZOCXBDSA-N 0 0 318.439 0.420 50 0 DCAARN Cc1cnc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cn1 ZINC000112033231 415700922 /nfs/dbraw/zinc/70/09/22/415700922.db2.gz OFJWIYFJXOQNCA-MRVPVSSYSA-N 0 0 302.256 0.678 50 0 DCAARN CC(=O)N1CC[C@]2(O)CCN(Cc3nnc(C)s3)C[C@@H]2C1 ZINC000299774835 416065585 /nfs/dbraw/zinc/06/55/85/416065585.db2.gz INRVGWBPSFHITN-TZMCWYRMSA-N 0 0 310.423 0.652 50 0 DCAARN O=C(N[C@@H]1CCCN(C(=O)C2CC2)C1)C(=O)c1cccnc1 ZINC000299772905 416065651 /nfs/dbraw/zinc/06/56/51/416065651.db2.gz BGAVNIKJEBVUBI-CYBMUJFWSA-N 0 0 301.346 0.782 50 0 DCAARN CC[C@]1(C(N)=O)CCCN(C(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC000299771811 416066245 /nfs/dbraw/zinc/06/62/45/416066245.db2.gz VFQPQMLPBUGSJB-HNNXBMFYSA-N 0 0 307.350 0.914 50 0 DCAARN CCn1ncnc1CN1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 ZINC000299777832 416067498 /nfs/dbraw/zinc/06/74/98/416067498.db2.gz OKWPEKHVURBNGL-FQLMCAECSA-N 0 0 322.409 0.286 50 0 DCAARN Cn1nc(C(C)(C)C)cc1NC(=O)NCc1noc(C(N)=O)n1 ZINC000299792099 416068653 /nfs/dbraw/zinc/06/86/53/416068653.db2.gz DQEXCLFGUSUIEL-UHFFFAOYSA-N 0 0 321.341 0.521 50 0 DCAARN Nc1nnc(CCCNC(=O)CN2CCCCCC2=O)s1 ZINC000299791701 416069249 /nfs/dbraw/zinc/06/92/49/416069249.db2.gz HLYSPHHINIOUIT-UHFFFAOYSA-N 0 0 311.411 0.572 50 0 DCAARN O=C(NCCc1nc(Cc2ccccc2)no1)[C@H]1COCCO1 ZINC000299787773 416069950 /nfs/dbraw/zinc/06/99/50/416069950.db2.gz ZBNRRHKTKKBANX-CYBMUJFWSA-N 0 0 317.345 0.735 50 0 DCAARN CCC[C@H](NC(=O)CCNS(C)(=O)=O)c1nccn1C ZINC000299798186 416071446 /nfs/dbraw/zinc/07/14/46/416071446.db2.gz QKBCEFBTRAREPE-JTQLQIEISA-N 0 0 302.400 0.317 50 0 DCAARN COc1cc(CNC(=O)c2ccc(S(N)(=O)=O)cn2)ccn1 ZINC000170591443 416027281 /nfs/dbraw/zinc/02/72/81/416027281.db2.gz PHTDAKQNFJSVNV-UHFFFAOYSA-N 0 0 322.346 0.063 50 0 DCAARN Cc1nc(N)ncc1C(=O)NCCc1noc(C2CCC2)n1 ZINC000215073232 416327173 /nfs/dbraw/zinc/32/71/73/416327173.db2.gz OLCUZRJDNJHQRY-UHFFFAOYSA-N 0 0 302.338 0.990 50 0 DCAARN CN(Cc1cnc(N(C)CC(=O)[O-])nc1)C[C@@H]1CCCC[N@@H+]1C ZINC000216242016 416327466 /nfs/dbraw/zinc/32/74/66/416327466.db2.gz PKMVJIFKCZEPEK-AWEZNQCLSA-N 0 0 321.425 0.914 50 0 DCAARN CCn1cnnc1CN(C)Cc1cnc(N2CCOCC2)nc1 ZINC000216104394 416327484 /nfs/dbraw/zinc/32/74/84/416327484.db2.gz KSWHBHXJIKNGLZ-UHFFFAOYSA-N 0 0 317.397 0.557 50 0 DCAARN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H]1CSCN1)CC2 ZINC000236860059 416328174 /nfs/dbraw/zinc/32/81/74/416328174.db2.gz BVOAQLUUGHRSJE-GRYCIOLGSA-N 0 0 300.424 0.427 50 0 DCAARN CCCN1C(=O)N[C@H](CC(=O)NCCc2cccn2C)C1=O ZINC000244633718 416330350 /nfs/dbraw/zinc/33/03/50/416330350.db2.gz GIJKJQHGGSAJCS-GFCCVEGCSA-N 0 0 306.366 0.404 50 0 DCAARN CS(=O)(=O)N1CCN(c2nnc(-c3ccon3)s2)CC1 ZINC000242242352 416330517 /nfs/dbraw/zinc/33/05/17/416330517.db2.gz XUBMRHFKQGEYCD-UHFFFAOYSA-N 0 0 315.380 0.275 50 0 DCAARN O=C(CCc1cn[nH]c1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000244763960 416330984 /nfs/dbraw/zinc/33/09/84/416330984.db2.gz OYLCAEKJJIQFPG-UHFFFAOYSA-N 0 0 320.393 0.440 50 0 DCAARN CCc1ccccc1S(=O)(=O)N[C@@H](CO)Cc1cnn(C)c1 ZINC000583652095 416481590 /nfs/dbraw/zinc/48/15/90/416481590.db2.gz YGIOKEYONWPECJ-CQSZACIVSA-N 0 0 323.418 0.864 50 0 DCAARN COc1ccc(S(=O)(=O)N(C)[C@@]2(CO)CCOC2)c(C)c1 ZINC000583651851 416482549 /nfs/dbraw/zinc/48/25/49/416482549.db2.gz UGQZCYUKWWZQGM-CQSZACIVSA-N 0 0 315.391 0.776 50 0 DCAARN Nc1n[nH]c(CCNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)n1 ZINC000534652034 416507171 /nfs/dbraw/zinc/50/71/71/416507171.db2.gz KBOHFQZGJKISPH-SECBINFHSA-N 0 0 318.312 0.311 50 0 DCAARN C[C@@]1(c2ccccc2)CN(C(=O)C2(n3cnnn3)CC2)CCO1 ZINC000585107068 416517564 /nfs/dbraw/zinc/51/75/64/416517564.db2.gz CDBQOBCZJQHZNJ-HNNXBMFYSA-N 0 0 313.361 0.936 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](O)CN1c1ncnc2sc3c(c21)CCCC3 ZINC000585117927 416518525 /nfs/dbraw/zinc/51/85/25/416518525.db2.gz CFMYDNUWVCGOEF-SCZZXKLOSA-N 0 0 318.402 0.995 50 0 DCAARN CC(C)(CCCO)CNS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000585115747 416519052 /nfs/dbraw/zinc/51/90/52/416519052.db2.gz QOHRMBQMJFAKJH-GFCCVEGCSA-N 0 0 318.439 0.468 50 0 DCAARN C[C@@H](NC(=O)c1ccc2c(c1)N(C)C(=O)CO2)c1nc(N)n[nH]1 ZINC000426436346 416768932 /nfs/dbraw/zinc/76/89/32/416768932.db2.gz AMRSRVRJSFDBKP-SSDOTTSWSA-N 0 0 316.321 0.233 50 0 DCAARN Cc1nc2ccc(N[C@@H]3CCN(C4CCOCC4)C3=O)nn2n1 ZINC000376409327 417027798 /nfs/dbraw/zinc/02/77/98/417027798.db2.gz SGQUFEQXILHUEO-GFCCVEGCSA-N 0 0 316.365 0.625 50 0 DCAARN CCOC(=O)c1cnc(S[C@@H](C)c2nnnn2C)nc1N ZINC000390834089 417100116 /nfs/dbraw/zinc/10/01/16/417100116.db2.gz RRVYLVHCTKXNFV-LURJTMIESA-N 0 0 309.355 0.612 50 0 DCAARN CCOc1ccc(C)cc1S(=O)(=O)NC[C@@]1(O)CCOC1 ZINC000575415688 417536072 /nfs/dbraw/zinc/53/60/72/417536072.db2.gz OXGHZZQBCWDIMR-AWEZNQCLSA-N 0 0 315.391 0.823 50 0 DCAARN COC[C@@](O)(CNC(=O)c1cccn(C)c1=O)c1ccccc1 ZINC000575604287 417539325 /nfs/dbraw/zinc/53/93/25/417539325.db2.gz VVRJRJFBKCSSMT-KRWDZBQOSA-N 0 0 316.357 0.649 50 0 DCAARN CN(C)S(=O)(=O)N1CCC(CNC(=O)c2ccco2)CC1 ZINC000575615761 417540851 /nfs/dbraw/zinc/54/08/51/417540851.db2.gz JMKOGOKPRSAQMD-UHFFFAOYSA-N 0 0 315.395 0.528 50 0 DCAARN Cn1cccc(C(=O)NC2CCN(c3cnsn3)CC2)c1=O ZINC000575616471 417541703 /nfs/dbraw/zinc/54/17/03/417541703.db2.gz OLNDPNWVTUUOQT-UHFFFAOYSA-N 0 0 319.390 0.636 50 0 DCAARN O=C(Cn1ncccc1=O)NCc1nccnc1-c1cccnc1 ZINC000575620193 417541812 /nfs/dbraw/zinc/54/18/12/417541812.db2.gz QYFZHDZCMRIZBV-UHFFFAOYSA-N 0 0 322.328 0.412 50 0 DCAARN Cc1cc(CN2CCN(C[C@H]3CCc4ncnn43)CC2)on1 ZINC000639431970 417672179 /nfs/dbraw/zinc/67/21/79/417672179.db2.gz FVXNORIHDDJRBW-CYBMUJFWSA-N 0 0 302.382 0.880 50 0 DCAARN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000058658601 299846724 /nfs/dbraw/zinc/84/67/24/299846724.db2.gz WHEOIXQWYFVLDZ-NWDGAFQWSA-N 0 0 303.428 0.516 50 0 DCAARN Cc1nnc(CN2CC[C@@H](Nc3ncccn3)[C@H](O)C2)s1 ZINC000299787678 229443682 /nfs/dbraw/zinc/44/36/82/229443682.db2.gz YTIHNXSHEYWJQI-GHMZBOCLSA-N 0 0 306.395 0.684 50 0 DCAARN CS(=O)(=O)C1[C@@H]2C=C[C@@H]3C2C2[C@H]1C=C[C@H]2C3S(C)(=O)=O ZINC000257357184 262517078 /nfs/dbraw/zinc/51/70/78/262517078.db2.gz MNMMQMQHMOCOKM-BFWXDSNKSA-N 0 0 314.428 0.677 50 0 DCAARN CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1 ZINC000000499388 276895986 /nfs/dbraw/zinc/89/59/86/276895986.db2.gz BERJRFKFVWBKKW-UHFFFAOYSA-N 0 0 313.361 0.732 50 0 DCAARN COC(=O)c1cccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032912393 277163324 /nfs/dbraw/zinc/16/33/24/277163324.db2.gz OUARLAIHPNFTGS-JQWIXIFHSA-N 0 0 309.343 0.623 50 0 DCAARN CC(C)(C)NC(=O)CNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000054459739 277167311 /nfs/dbraw/zinc/16/73/11/277167311.db2.gz WDJKTQUFYQZCBM-LKFCYVNXSA-N 0 0 313.423 0.471 50 0 DCAARN CC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000037170405 278115676 /nfs/dbraw/zinc/11/56/76/278115676.db2.gz METIVGZGXUMKTI-GFCCVEGCSA-N 0 0 307.350 0.384 50 0 DCAARN C[C@H](c1ccccc1)n1c(NN)nc2c1c(=O)n(C)c(=O)n2C ZINC000000193573 278312111 /nfs/dbraw/zinc/31/21/11/278312111.db2.gz XSWGXXOGWQRSGR-SECBINFHSA-N 0 0 314.349 0.329 50 0 biogenic DCAARN CC(C)(C)N(CC(N)=O)CC(=O)NC(=O)NC1CCCCC1 ZINC000079075113 278338909 /nfs/dbraw/zinc/33/89/09/278338909.db2.gz HGERYDPNRDEYOL-UHFFFAOYSA-N 0 0 312.414 0.731 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)c2cc3c(cn2)OCCC3)[C@@H](C)C1 ZINC000253429273 278399519 /nfs/dbraw/zinc/39/95/19/278399519.db2.gz QCOQIORBQNPUQH-QWHCGFSZSA-N 0 0 319.405 0.934 50 0 DCAARN C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2C)C1 ZINC000000614693 278884986 /nfs/dbraw/zinc/88/49/86/278884986.db2.gz KBLIGQYDSKDSEU-NXEZZACHSA-N 0 0 305.382 0.453 50 0 DCAARN CC(C)C[C@H](NC(=O)CNC(=O)c1ccco1)C(=O)N(C)C ZINC000032933047 279185029 /nfs/dbraw/zinc/18/50/29/279185029.db2.gz OHNAUHUNMDOEMY-NSHDSACASA-N 0 0 309.366 0.629 50 0 DCAARN O=C([C@@H]1CCC(=O)c2cccn21)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000328859660 280080812 /nfs/dbraw/zinc/08/08/12/280080812.db2.gz ADYGCBSYZIOROD-NWDGAFQWSA-N 0 0 315.333 0.724 50 0 DCAARN Cc1c(C)n(-c2ccccc2N)c2nc3c(c(=O)[nH]c(=O)n3C)n12 ZINC000006061727 280223710 /nfs/dbraw/zinc/22/37/10/280223710.db2.gz TZICMRGSOCOLRC-UHFFFAOYSA-N 0 0 324.344 0.864 50 0 DCAARN Cn1[nH]c([C@@H]2CCCN2C(=O)c2ncc(F)cc2F)nc1=N ZINC000565091120 288816982 /nfs/dbraw/zinc/81/69/82/288816982.db2.gz CUBKUCSLFSNPPO-VIFPVBQESA-N 0 0 308.292 0.878 50 0 DCAARN CN(CC1(CO)CCCC1)C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000071776015 289547292 /nfs/dbraw/zinc/54/72/92/289547292.db2.gz UGEMAIHHLSUSPI-LBPRGKRZSA-N 0 0 318.439 0.422 50 0 DCAARN Cn1c2ccc(C(=O)N3CCNC(=O)C3(C)C)cc2[nH]c1=O ZINC000089917318 294179620 /nfs/dbraw/zinc/17/96/20/294179620.db2.gz KRKGQSIWOIIZRR-UHFFFAOYSA-N 0 0 302.334 0.217 50 0 DCAARN NC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F ZINC000072120869 295052318 /nfs/dbraw/zinc/05/23/18/295052318.db2.gz SDTAIFIDONMKBE-LLVKDONJSA-N 0 0 315.295 0.881 50 0 DCAARN O=C(C1=C2c3ccccc3S(=O)(=O)N2CC1)N1CCOCC1 ZINC000221275140 295422114 /nfs/dbraw/zinc/42/21/14/295422114.db2.gz QZHDWPBISYOLPT-UHFFFAOYSA-N 0 0 320.370 0.665 50 0 DCAARN C[C@@H]1CO[C@@H](C)CN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000045449470 297154246 /nfs/dbraw/zinc/15/42/46/297154246.db2.gz CPTFJGHSWXNMFS-MNOVXSKESA-N 0 0 304.412 0.294 50 0 DCAARN C[C@]1(C(=O)NCCCNS(C)(=O)=O)CC1(Cl)Cl ZINC000031217805 300762214 /nfs/dbraw/zinc/76/22/14/300762214.db2.gz IMHFAZHWVRZKJV-MRVPVSSYSA-N 0 0 303.211 0.626 50 0 DCAARN Cn1c(=O)ccn(CC(=O)Nc2nc3c(s2)CCC3)c1=O ZINC000030891456 302893788 /nfs/dbraw/zinc/89/37/88/302893788.db2.gz IBOUHUDKPRRIOM-UHFFFAOYSA-N 0 0 306.347 0.131 50 0 DCAARN O=C(/C=C\c1ccc2c(c1)OCCO2)N[C@@H]1CCS(=O)(=O)C1 ZINC000052602892 303523494 /nfs/dbraw/zinc/52/34/94/303523494.db2.gz VHXHMKWAWNTVSL-DTRQGZQOSA-N 0 0 323.370 0.774 50 0 DCAARN Cn1cc(C[C@H](CO)CNC(=O)c2cc(Cl)cn2C)cn1 ZINC000521394125 333076842 /nfs/dbraw/zinc/07/68/42/333076842.db2.gz AGJJCLACTCVLRU-NSHDSACASA-N 0 0 310.785 0.993 50 0 DCAARN COCC1(CNC(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000534575970 334287528 /nfs/dbraw/zinc/28/75/28/334287528.db2.gz LXYWAECSZUFMSO-UHFFFAOYSA-N 0 0 306.366 0.537 50 0 DCAARN O=C(C[C@@H]1NC(=O)c2ccccc21)NCC1(CO)CCOCC1 ZINC000534638484 334310280 /nfs/dbraw/zinc/31/02/80/334310280.db2.gz QSQXRNJFBSRWJQ-AWEZNQCLSA-N 0 0 318.373 0.767 50 0 DCAARN Cc1cc(C)n(CC(=O)N[C@H](c2nccn2C)C2CC2)c(=O)n1 ZINC000534639439 334310555 /nfs/dbraw/zinc/31/05/55/334310555.db2.gz UHGQGMCKBVREJL-AWEZNQCLSA-N 0 0 315.377 0.861 50 0 DCAARN O=C(NCCn1ccnn1)c1ccc2c(c1)ncn2CCO ZINC000534667867 334319536 /nfs/dbraw/zinc/31/95/36/334319536.db2.gz NPHQHIOQPPAZPP-UHFFFAOYSA-N 0 0 300.322 0.050 50 0 DCAARN Cc1nn(C(C)(C)C)c(=O)n1CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000097235246 337382441 /nfs/dbraw/zinc/38/24/41/337382441.db2.gz XGPKZNRSSLBKMG-GHMZBOCLSA-N 0 0 310.398 0.744 50 0 DCAARN COC(=O)c1ccc(S(=O)(=O)N2CCn3nccc3C2)cc1 ZINC000238878295 534238103 /nfs/dbraw/zinc/23/81/03/534238103.db2.gz OPPAZFDTRXRKBC-UHFFFAOYSA-N 0 0 321.358 0.874 50 0 DCAARN Cn1nnc(CN[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)n1 ZINC000328594995 534334820 /nfs/dbraw/zinc/33/48/20/534334820.db2.gz IAJYCYWMOHITNB-NSHDSACASA-N 0 0 324.747 0.898 50 0 DCAARN O=C(NCCSc1nc[nH]n1)[C@@H]1CCCCN1C(=O)C1CC1 ZINC000299792049 534404512 /nfs/dbraw/zinc/40/45/12/534404512.db2.gz DKVGZJMUDJVURZ-NSHDSACASA-N 0 0 323.422 0.804 50 0 DCAARN Cc1cccn2cc(CNC(=O)[C@@H](C)NS(C)(=O)=O)nc12 ZINC000126705612 525471631 /nfs/dbraw/zinc/47/16/31/525471631.db2.gz GZPHDIAECFKMQP-SNVBAGLBSA-N 0 0 310.379 0.197 50 0 DCAARN CCn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)cc(=O)n(C)c1=O ZINC000035513401 535987968 /nfs/dbraw/zinc/98/79/68/535987968.db2.gz WYAQMFFJXQZOPD-LLVKDONJSA-N 0 0 320.393 0.062 50 0 DCAARN COc1cccc2c1NC(=O)C[C@H]2C(=O)NCCn1ccnn1 ZINC000426666988 536959695 /nfs/dbraw/zinc/95/96/95/536959695.db2.gz LZJCVENHGTZUMQ-LLVKDONJSA-N 0 0 315.333 0.529 50 0 DCAARN CNC(=O)N[C@H]1CCCN(c2cc(N3CCCC3)ncn2)C1 ZINC000065269239 545659544 /nfs/dbraw/zinc/65/95/44/545659544.db2.gz LLGQJNJFSZUPAA-LBPRGKRZSA-N 0 0 304.398 0.975 50 0 DCAARN Cc1cc(C)n2ncc(C(=O)N(C)CCN3CCOCC3)c2n1 ZINC000084109787 545701129 /nfs/dbraw/zinc/70/11/29/545701129.db2.gz UDVMFAIZAQKTJI-UHFFFAOYSA-N 0 0 317.393 0.750 50 0 DCAARN Cc1cc(NC(=O)[C@H]2CCCO2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000084101980 545701230 /nfs/dbraw/zinc/70/12/30/545701230.db2.gz LMVPPCAJZQLUEH-GHMZBOCLSA-N 0 0 313.379 0.669 50 0 DCAARN CN1Cc2ccccc2C[C@H]1CNC(=O)c1nc2ncccn2n1 ZINC000215876747 545938914 /nfs/dbraw/zinc/93/89/14/545938914.db2.gz GEBJMTQXJUNWBL-AWEZNQCLSA-N 0 0 322.372 0.911 50 0 DCAARN CCc1nc(C)c(CC(=O)N[C@@H](CC)c2ncnn2C)c(=O)[nH]1 ZINC000218818750 545940738 /nfs/dbraw/zinc/94/07/38/545940738.db2.gz JTKDIRRUXPGCQD-NSHDSACASA-N 0 0 318.381 0.579 50 0 DCAARN O=S(=O)(NCCn1nccn1)c1ccc2c(c1)OCCO2 ZINC000238809797 545960542 /nfs/dbraw/zinc/96/05/42/545960542.db2.gz AAMLPOYASNVUPQ-UHFFFAOYSA-N 0 0 310.335 0.028 50 0 DCAARN CCCN1C[C@H](NS(=O)(=O)c2ccnn2CCC)CC1=O ZINC000670437220 547090019 /nfs/dbraw/zinc/09/00/19/547090019.db2.gz FNGCAKUWLXIGIQ-LLVKDONJSA-N 0 0 314.411 0.582 50 0 DCAARN Cc1ccccc1NC(=O)CCNC(=O)C1=NNC(=O)CC1 ZINC000670447798 547095176 /nfs/dbraw/zinc/09/51/76/547095176.db2.gz KCRMDLHZFUGWAU-UHFFFAOYSA-N 0 0 302.334 0.706 50 0 DCAARN CCNC(=O)N1CCC(NC(=O)[C@H](C)NC(=O)OC)CC1 ZINC000670455652 547097171 /nfs/dbraw/zinc/09/71/71/547097171.db2.gz BHSFDUZEAVQTMD-VIFPVBQESA-N 0 0 300.359 0.041 50 0 DCAARN CN(CCS(C)(=O)=O)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000670461345 547098509 /nfs/dbraw/zinc/09/85/09/547098509.db2.gz CYRJLZSKAXTJTP-GFCCVEGCSA-N 0 0 302.440 0.754 50 0 DCAARN CN1CC2(CCN(c3ncccc3C(N)=O)CC2)OCC1=O ZINC000670463856 547098936 /nfs/dbraw/zinc/09/89/36/547098936.db2.gz ULDCSSYMEKBUOK-UHFFFAOYSA-N 0 0 304.350 0.008 50 0 DCAARN NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC000670460050 547099212 /nfs/dbraw/zinc/09/92/12/547099212.db2.gz OIHAPKGVAQZMEC-RNFRBKRXSA-N 0 0 302.256 0.978 50 0 DCAARN Cc1cc(CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)ccn1 ZINC000670472321 547101104 /nfs/dbraw/zinc/10/11/04/547101104.db2.gz DUWSJVASTHOLTN-CYBMUJFWSA-N 0 0 311.407 0.125 50 0 DCAARN O=C(CN1CCCCCCC1=O)OC[C@@H]1CCCS1(=O)=O ZINC000685940631 548746539 /nfs/dbraw/zinc/74/65/39/548746539.db2.gz QESYHTJZIDTFSU-LBPRGKRZSA-N 0 0 317.407 0.900 50 0 DCAARN Cc1ncc2c(n1)CN(C[C@H](O)COC[C@H]1CCCO1)CC2 ZINC000257365281 563594585 /nfs/dbraw/zinc/59/45/85/563594585.db2.gz AJZVUEOBQRNEEN-LSDHHAIUSA-N 0 0 307.394 0.700 50 0 DCAARN COCC1(C2CCC2)CN(C(=O)N[C@@H]2CC[S@@](=O)C2)C1 ZINC000888101529 661180661 /nfs/dbraw/zinc/18/06/61/661180661.db2.gz AYSLLAPQLRWLCX-MPBGBICISA-N 0 0 300.424 0.966 50 0 DCAARN C[C@](O)(CNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1)C1CC1 ZINC000585090480 662949525 /nfs/dbraw/zinc/94/95/25/662949525.db2.gz RWNRUROLEAMXOU-BBRMVZONSA-N 0 0 324.352 0.194 50 0 DCAARN O=C(C[C@@H]1CCN(C(=O)c2ccncc2)C1)N1CCOCC1 ZINC000169748894 664558799 /nfs/dbraw/zinc/55/87/99/664558799.db2.gz CPRYRZNSCPAJHC-ZDUSSCGKSA-N 0 0 303.362 0.793 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC3)CCO1 ZINC000183536896 666062297 /nfs/dbraw/zinc/06/22/97/666062297.db2.gz MOLCPIONLZKSBS-HNNXBMFYSA-N 0 0 318.373 0.528 50 0 DCAARN COCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1 ZINC000011662938 666141009 /nfs/dbraw/zinc/14/10/09/666141009.db2.gz JNFYASKCPFLYNO-OAHLLOKOSA-N 0 0 319.405 0.530 50 0 DCAARN OC[C@H]1C=C[C@@H](Nc2nccnc2N[C@@H]2C=C[C@H](CO)C2)C1 ZINC000585079420 666170188 /nfs/dbraw/zinc/17/01/88/666170188.db2.gz FVMXSVYDCRBXIS-IGQOVBAYSA-N 0 0 302.378 0.018 50 0 DCAARN O=C(c1ccc2[nH]c(CO)nc2c1)N1CCC[C@@](O)(CO)C1 ZINC000072149729 666229415 /nfs/dbraw/zinc/22/94/15/666229415.db2.gz JSBZEVZQWWXEFE-HNNXBMFYSA-N 0 0 305.334 0.015 50 0 DCAARN NC(=O)c1c[nH]c(C(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000123277783 668144339 /nfs/dbraw/zinc/14/43/39/668144339.db2.gz PVOWFGWREMTGDP-GFCCVEGCSA-N 0 0 300.318 0.802 50 0 DCAARN CCc1nncn1CCNC(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000805161961 668160539 /nfs/dbraw/zinc/16/05/39/668160539.db2.gz GZWZWEXIBJZCTQ-OAHLLOKOSA-N 0 0 323.397 0.432 50 0 DCAARN Cc1nnnn1CCC(=O)Nc1ccc2[nH]c([C@H](C)O)nc2c1 ZINC000952988718 685602583 /nfs/dbraw/zinc/60/25/83/685602583.db2.gz RSDPCLBAENAQCT-QMMMGPOBSA-N 0 0 315.337 0.940 50 0 DCAARN CCNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc3[nH]cnc3c2)C1 ZINC000952976927 685601215 /nfs/dbraw/zinc/60/12/15/685601215.db2.gz VNUNQZGUVHWEFJ-JTQLQIEISA-N 0 0 322.390 0.710 50 0 DCAARN COc1ccc(CC(=O)N2CC(OC)(c3cnnn3C)C2)cc1 ZINC000952994469 685603601 /nfs/dbraw/zinc/60/36/01/685603601.db2.gz VSKNKPYNPCDUSZ-UHFFFAOYSA-N 0 0 316.361 0.750 50 0 DCAARN Cc1ccc(C(=O)N2CCN3C(=O)[C@@H](C)NC(=O)[C@H]3C2)cc1F ZINC000014537295 685047900 /nfs/dbraw/zinc/04/79/00/685047900.db2.gz IETFCSMJUPIYRF-ZWNOBZJWSA-N 0 0 319.336 0.305 50 0 DCAARN Cc1c(C(=O)N2CCNC(=O)[C@H]2C)sc2ncn(C)c(=O)c12 ZINC000063872176 685063615 /nfs/dbraw/zinc/06/36/15/685063615.db2.gz RTVICZVIVJCOSH-MRVPVSSYSA-N 0 0 320.374 0.264 50 0 DCAARN CCCn1ncc(C(=O)N2CC[NH2+]C[C@@H](CC(=O)[O-])C2)c1C ZINC000071415531 685073829 /nfs/dbraw/zinc/07/38/29/685073829.db2.gz LTGVOFYXSKBRIX-GFCCVEGCSA-N 0 0 308.382 0.738 50 0 DCAARN Cc1ccc(OCCN2C[C@@]3(C(=O)[O-])C[NH2+]C[C@H]3C2=O)c(C)c1 ZINC000072447385 685075139 /nfs/dbraw/zinc/07/51/39/685075139.db2.gz STCCCIQMJUFRNP-GUYCJALGSA-N 0 0 318.373 0.815 50 0 DCAARN O=C(NCc1nnc2n1CCCCC2)[C@H]1NCCc2nc[nH]c21 ZINC000072433366 685075373 /nfs/dbraw/zinc/07/53/73/685075373.db2.gz ZYXZPGMNALDJIF-AWEZNQCLSA-N 0 0 315.381 0.231 50 0 DCAARN CNC(=O)c1cc2c(n1C)CN(c1nc(N)ncc1C)CC2 ZINC000091462509 685103712 /nfs/dbraw/zinc/10/37/12/685103712.db2.gz RSKIPVDVCAAVAS-UHFFFAOYSA-N 0 0 300.366 0.628 50 0 DCAARN COC(=O)CNC(=O)COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000096488163 685111515 /nfs/dbraw/zinc/11/15/15/685111515.db2.gz MTWPMTYERHRIOS-DAXSKMNVSA-N 0 0 322.273 0.440 50 0 DCAARN CN1CC[C@@H](N2CCN(C(=O)c3ccccc3F)CC2)C1=O ZINC000116271866 685116510 /nfs/dbraw/zinc/11/65/10/685116510.db2.gz CZDGQOLEWBWHJR-CQSZACIVSA-N 0 0 305.353 0.814 50 0 DCAARN O=S(=O)(CCN1CCC([C@@H](O)CO)CC1)c1ccccc1 ZINC001772702467 1157842075 /nfs/dbraw/zinc/84/20/75/1157842075.db2.gz SFDCXGZXZPJKHB-HNNXBMFYSA-N 0 0 313.419 0.526 50 0 DCAARN CCOc1ncccc1C(=O)NC[C@H]1Cc2nnc(C)n2C1 ZINC001772706181 1157844143 /nfs/dbraw/zinc/84/41/43/1157844143.db2.gz MFXCZJDWNVYFGB-LLVKDONJSA-N 0 0 301.350 0.983 50 0 DCAARN O=C(Cc1ccc2c(c1)OCO2)N1CCC([C@@H](O)CO)CC1 ZINC001772711234 1157847028 /nfs/dbraw/zinc/84/70/28/1157847028.db2.gz RTYQMQLGOHJCSQ-ZDUSSCGKSA-N 0 0 307.346 0.550 50 0 DCAARN Cc1cc(C)n(CCNC(=O)c2n[nH]c3c2CCCC3)c(=O)n1 ZINC000825131904 1158762924 /nfs/dbraw/zinc/76/29/24/1158762924.db2.gz AYZRKZUQUVCQOG-UHFFFAOYSA-N 0 0 315.377 0.892 50 0 DCAARN CCn1ncc(C(=O)N2C[C@@H](Cc3cc(C)n[nH]3)[C@H](O)C2)c1C ZINC001704280583 1179958837 /nfs/dbraw/zinc/95/88/37/1179958837.db2.gz LWWRPBVLNHQPQA-IUODEOHRSA-N 0 0 317.393 0.919 50 0 DCAARN O=C(c1n[nH]cc1Cl)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704297871 1179964522 /nfs/dbraw/zinc/96/45/22/1179964522.db2.gz ADRBZXHSMFOHKH-LDYMZIIASA-N 0 0 307.741 0.529 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3ccc(CO)o3)C[C@@H]2O)on1 ZINC001704297322 1179965149 /nfs/dbraw/zinc/96/51/49/1179965149.db2.gz MITNGDKTVZVXNX-MFKMUULPSA-N 0 0 306.318 0.744 50 0 DCAARN Cc1ncc2c(n1)[C@@]1(CC2)CCCN(C(=O)Cn2cnnn2)C1 ZINC001704302374 1179965912 /nfs/dbraw/zinc/96/59/12/1179965912.db2.gz IFVPVUWMVGWHQF-OAHLLOKOSA-N 0 0 313.365 0.278 50 0 DCAARN CCc1cnc(N2CCC3(CC2)C[C@@](O)(CO)CCO3)nc1 ZINC001704302861 1179966741 /nfs/dbraw/zinc/96/67/41/1179966741.db2.gz CKBYRIHRQMBBPG-OAHLLOKOSA-N 0 0 307.394 0.912 50 0 DCAARN C[N@@H+]1C[C@H]2COC[C@@H]1CN(Cc1ccccc1OCC(=O)[O-])C2 ZINC001704307172 1179968192 /nfs/dbraw/zinc/96/81/92/1179968192.db2.gz VDYQGSJWCRYOFW-HIFRSBDPSA-N 0 0 320.389 0.912 50 0 DCAARN COc1ccc(O)cc1CN1C[C@@H]2COC[C@H](C1)N(C)C2=O ZINC001704311969 1179969494 /nfs/dbraw/zinc/96/94/94/1179969494.db2.gz HZKSDMVPEVMCHK-OLZOCXBDSA-N 0 0 306.362 0.690 50 0 DCAARN CNC(=O)c1ccc(CNC(=O)[C@@H]2CC[C@H](O)[C@H](OC)C2)o1 ZINC001704324664 1179972002 /nfs/dbraw/zinc/97/20/02/1179972002.db2.gz CHULPEZDTHHDEZ-SUZMYJTESA-N 0 0 310.350 0.431 50 0 DCAARN O=C([O-])C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccccc1)C2 ZINC001704326456 1179973997 /nfs/dbraw/zinc/97/39/97/1179973997.db2.gz XGKZYTQGSQSGMN-JSGCOSHPSA-N 0 0 304.346 0.544 50 0 DCAARN CC(C)CC1(NC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)CC1 ZINC001704350018 1179981936 /nfs/dbraw/zinc/98/19/36/1179981936.db2.gz NKCUOMNLFJSJTH-SNVBAGLBSA-N 0 0 306.366 0.296 50 0 DCAARN Cc1cc2nc(C[N@H+](C)CCn3ccnc3C)cc(=O)n2[n-]1 ZINC001704352139 1179982399 /nfs/dbraw/zinc/98/23/99/1179982399.db2.gz QDOMIMHBVDKOKO-UHFFFAOYSA-N 0 0 300.366 0.968 50 0 DCAARN O=C(NCCC1CCCCC1)c1cc2n(n1)C[C@H](O)CNC2=O ZINC001704355357 1179984876 /nfs/dbraw/zinc/98/48/76/1179984876.db2.gz RRRQVVRGNGPSTH-GFCCVEGCSA-N 0 0 320.393 0.688 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@H]1c1[nH]nc2c1COCC2 ZINC000675011309 748026215 /nfs/dbraw/zinc/02/62/15/748026215.db2.gz NOQVVXVYQSFGNO-NSHDSACASA-N 0 0 300.384 0.426 50 0 DCAARN COc1ccc(S(=O)(=O)N2CC[C@]3(CCC(=O)N3)C2)cc1 ZINC000675018413 748026700 /nfs/dbraw/zinc/02/67/00/748026700.db2.gz XYBFHBZNXFCIAJ-CQSZACIVSA-N 0 0 310.375 0.738 50 0 DCAARN CCCn1cnnc1[C@@H](C)NS(=O)(=O)c1cnn(CC)c1 ZINC000823031033 758219404 /nfs/dbraw/zinc/21/94/04/758219404.db2.gz KIXVWNNXASZSEF-SNVBAGLBSA-N 0 0 312.399 0.944 50 0 DCAARN CN(C[C@H]1CCCN1C)S(=O)(=O)c1cc(C(N)=O)cs1 ZINC000823774859 758266785 /nfs/dbraw/zinc/26/67/85/758266785.db2.gz WRHCKMIBLZRCPV-SNVBAGLBSA-N 0 0 317.436 0.562 50 0 DCAARN COC[C@@H]1CCCN1S(=O)(=O)N1CCN(CC2CC2)CC1 ZINC000824371021 758772252 /nfs/dbraw/zinc/77/22/52/758772252.db2.gz NGPQSIJUXYTLAY-AWEZNQCLSA-N 0 0 317.455 0.370 50 0 DCAARN COCc1cc(CNC(=O)CCN2CCCCCC2=O)[nH]n1 ZINC000824475075 758774986 /nfs/dbraw/zinc/77/49/86/758774986.db2.gz DKGNYMLSFAOLHU-UHFFFAOYSA-N 0 0 308.382 0.965 50 0 DCAARN COc1ncc(CN2CCC(c3nnc(CO)n3C)CC2)cn1 ZINC000824851736 758790733 /nfs/dbraw/zinc/79/07/33/758790733.db2.gz AZYOBBVHEWDTDL-UHFFFAOYSA-N 0 0 318.381 0.486 50 0 DCAARN NS(=O)(=O)CCCC(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000828032268 758917155 /nfs/dbraw/zinc/91/71/55/758917155.db2.gz NLFSZRVEFRIEKP-UHFFFAOYSA-N 0 0 314.342 0.387 50 0 DCAARN CCn1cnnc1C[C@H]1CCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000581779765 760248189 /nfs/dbraw/zinc/24/81/89/760248189.db2.gz JWETXPFPHQOVHH-LLVKDONJSA-N 0 0 324.410 0.285 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1c1nnc(C)[nH]1 ZINC000581801430 760251404 /nfs/dbraw/zinc/25/14/04/760251404.db2.gz UBSXVENSBSMVQK-GHMZBOCLSA-N 0 0 316.365 0.053 50 0 DCAARN CCNC(=O)N1CCC2(CC1)N(CC1CC1)C(=O)C[S@@]2=O ZINC000581794054 760251956 /nfs/dbraw/zinc/25/19/56/760251956.db2.gz NFIBILSSYNGZPK-NRFANRHFSA-N 0 0 313.423 0.509 50 0 DCAARN COCCC(=O)N1CCC(CCOC)(NC(=O)C2CC2)CC1 ZINC000581804585 760253577 /nfs/dbraw/zinc/25/35/77/760253577.db2.gz BWGACYSIGMGLKQ-UHFFFAOYSA-N 0 0 312.410 0.947 50 0 DCAARN Cc1nc(N2C[C@H](NS(=O)(=O)C(C)C)[C@@H](C3CC3)C2)no1 ZINC000219606990 766272706 /nfs/dbraw/zinc/27/27/06/766272706.db2.gz YEWKDHJCOHNVBG-NEPJUHHUSA-N 0 0 314.411 0.921 50 0 DCAARN CCCC[C@](C)(CO)NC(=O)[C@H](CC(=O)OC)NC(C)=O ZINC000585112903 766282997 /nfs/dbraw/zinc/28/29/97/766282997.db2.gz HHCYWLCKANJIAA-SMDDNHRTSA-N 0 0 302.371 0.112 50 0 DCAARN COc1ccc(OS(=O)(=O)N=[S@](C)(=O)N(C)C)cc1 ZINC000585115542 766284943 /nfs/dbraw/zinc/28/49/43/766284943.db2.gz GBQXUKCRJITMNM-SFHVURJKSA-N 0 0 308.381 0.893 50 0 DCAARN C[C@@H](O)[C@@](C)(O)C(=O)NCc1nccn1CCc1ccccc1 ZINC000585121236 766286508 /nfs/dbraw/zinc/28/65/08/766286508.db2.gz JGGPPESOONTGNW-CXAGYDPISA-N 0 0 317.389 0.874 50 0 DCAARN CC(C)Oc1ccc(CCNC(=O)[C@@H]2OCCN(C)C2=O)cc1 ZINC000585121841 766286703 /nfs/dbraw/zinc/28/67/03/766286703.db2.gz BZNVVYBOPWCERX-HNNXBMFYSA-N 0 0 320.389 0.990 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)Nc2cnc3ccnn3c2)[C@@H](C)C1 ZINC000585119919 766287288 /nfs/dbraw/zinc/28/72/88/766287288.db2.gz ZXVCDAHVJUWNBZ-RYUDHWBXSA-N 0 0 318.381 0.648 50 0 DCAARN C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc(=O)n(C)n3)ccc2O1 ZINC000585128827 766290226 /nfs/dbraw/zinc/29/02/26/766290226.db2.gz OJCYYFIVTWJBGG-VIFPVBQESA-N 0 0 321.358 0.905 50 0 DCAARN COC(=O)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H]1C(F)(F)F ZINC000585127980 766290462 /nfs/dbraw/zinc/29/04/62/766290462.db2.gz OGQKKKUVDHHNDO-DTWKUNHWSA-N 0 0 310.272 0.608 50 0 DCAARN CCCCCOCC(=O)NCC12COCCN1CCOC2 ZINC000585128878 766290471 /nfs/dbraw/zinc/29/04/71/766290471.db2.gz PTENXZSNRHBUPI-UHFFFAOYSA-N 0 0 300.399 0.411 50 0 DCAARN C[C@@]1(C(=O)NCC[S@](=O)C(F)(F)F)CCC(=O)NC1 ZINC000585128160 766290516 /nfs/dbraw/zinc/29/05/16/766290516.db2.gz UJHVKKGOLNACRI-HOGDKLEQSA-N 0 0 300.302 0.287 50 0 DCAARN COC(=O)c1c(OCCO)n[nH]c1NC(=O)c1cccn1C ZINC000585130598 766291807 /nfs/dbraw/zinc/29/18/07/766291807.db2.gz WAWUSLZVUSOOQA-UHFFFAOYSA-N 0 0 308.294 0.158 50 0 DCAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cn1nnc(C(N)=O)n1 ZINC000585133109 766292981 /nfs/dbraw/zinc/29/29/81/766292981.db2.gz SZUMKMDVGSJAKZ-OUAUKWLOSA-N 0 0 309.370 0.776 50 0 DCAARN C[C@@H](c1ccc(F)nc1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000585132932 766293025 /nfs/dbraw/zinc/29/30/25/766293025.db2.gz HPZGWJNZPPDATC-QMMMGPOBSA-N 0 0 303.297 0.577 50 0 DCAARN NC(=O)Cc1nc([C@@H]2CCCNC2=O)n(-c2ccccc2F)n1 ZINC000952860036 768919657 /nfs/dbraw/zinc/91/96/57/768919657.db2.gz APKNLVZMOGCPSM-VIFPVBQESA-N 0 0 317.324 0.428 50 0 DCAARN Nc1ncc(C=CC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cn1 ZINC000952861807 768922202 /nfs/dbraw/zinc/92/22/02/768922202.db2.gz KVYABDSMBIKWJS-DUXPYHPUSA-N 0 0 310.317 0.970 50 0 DCAARN COCCn1ccnc1CNCc1nnc(-c2ccncc2)[nH]1 ZINC000952868920 768925084 /nfs/dbraw/zinc/92/50/84/768925084.db2.gz VOBGOEJDEJXKEB-UHFFFAOYSA-N 0 0 313.365 0.999 50 0 DCAARN CC1CC(S(=O)(=O)N2CCC[C@@H](N3CCNC3=O)C2)C1 ZINC000952882217 768949298 /nfs/dbraw/zinc/94/92/98/768949298.db2.gz URIPADIGVPXMSL-MOENNCHZSA-N 0 0 301.412 0.604 50 0 DCAARN COc1cc(NC(=O)NCCN2CCC3(C2)OCCO3)ccn1 ZINC000952884367 768952956 /nfs/dbraw/zinc/95/29/56/768952956.db2.gz ZDPBYCALTYLLLI-UHFFFAOYSA-N 0 0 322.365 0.661 50 0 DCAARN COC(=O)CC[C@@H]1NC(=O)[C@H]2Cc3ccccc3CN2C1=O ZINC000952867491 768957206 /nfs/dbraw/zinc/95/72/06/768957206.db2.gz NWAIZDDEZDGEIM-QWHCGFSZSA-N 0 0 302.330 0.392 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)Cn3nc(C)cc3C)C[C@H]2O)on1 ZINC001529101965 1014494675 /nfs/dbraw/zinc/49/46/75/1014494675.db2.gz SKHQUGBYEIHNKK-UKRRQHHQSA-N 0 0 318.377 0.858 50 0 DCAARN CCN1CCNC(=O)[C@H]1CC(=O)Nc1c2c(nn1C)CSC2 ZINC001529169000 1014511608 /nfs/dbraw/zinc/51/16/08/1014511608.db2.gz PSPKYOBNVNIGNG-LLVKDONJSA-N 0 0 323.422 0.316 50 0 DCAARN O=C([O-])c1ccc(N2CCC(O)(C[NH+]3CCCC3)CC2)nn1 ZINC001506395840 1017253488 /nfs/dbraw/zinc/25/34/88/1017253488.db2.gz JDQLBXCTUZHDSF-UHFFFAOYSA-N 0 0 306.366 0.602 50 0 DCAARN COc1nccnc1NCCN1CCN(c2ncccn2)CC1 ZINC001506403272 1017254448 /nfs/dbraw/zinc/25/44/48/1017254448.db2.gz SSRZPKWSYJIYDB-UHFFFAOYSA-N 0 0 315.381 0.509 50 0 DCAARN O=C([O-])c1ccc(N2CC[N@H+](CC3CC3)[C@H](CCO)C2)nn1 ZINC001506412744 1017261120 /nfs/dbraw/zinc/26/11/20/1017261120.db2.gz NTZKJROFZYQEKD-GFCCVEGCSA-N 0 0 306.366 0.458 50 0 DCAARN CN(CC(=O)[O-])c1ncc(C[NH2+]Cc2cccc(CO)c2)cn1 ZINC001506414493 1017262737 /nfs/dbraw/zinc/26/27/37/1017262737.db2.gz ZXQNEAVCHVTFGY-UHFFFAOYSA-N 0 0 316.361 0.780 50 0 DCAARN COc1ccc(-n2cnnc2)cc1NC(=O)CN1CCCC1=O ZINC001506423339 1017266395 /nfs/dbraw/zinc/26/63/95/1017266395.db2.gz VWZJGLGZZNFYNU-UHFFFAOYSA-N 0 0 315.333 0.837 50 0 DCAARN O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)N1CCOCC1 ZINC000095479299 185373537 /nfs/dbraw/zinc/37/35/37/185373537.db2.gz AWTJNORYPQDEBB-NSHDSACASA-N 0 0 314.345 0.775 50 0 DCAARN Cc1ccc(C(N)=O)cc1NC(=O)N1CCC(=O)NC[C@@H]1C ZINC000095499559 185374784 /nfs/dbraw/zinc/37/47/84/185374784.db2.gz ZVCFRCDLNUCNIW-JTQLQIEISA-N 0 0 304.350 0.836 50 0 DCAARN O=C(NCCN1CCN(c2ncccn2)CC1)C1CC=CC1 ZINC000076959640 185061849 /nfs/dbraw/zinc/06/18/49/185061849.db2.gz LUVJHYUJWISHOO-UHFFFAOYSA-N 0 0 301.394 0.681 50 0 DCAARN Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000078901419 185126122 /nfs/dbraw/zinc/12/61/22/185126122.db2.gz SWNOJPSEWUEGDG-SNVBAGLBSA-N 0 0 316.365 0.570 50 0 DCAARN CC(C)CNC(=O)CNC(=O)CCc1nc2cccnc2[nH]1 ZINC000079473888 185172723 /nfs/dbraw/zinc/17/27/23/185172723.db2.gz JAKZYZNCJCPXMB-UHFFFAOYSA-N 0 0 303.366 0.779 50 0 DCAARN COc1ccc(O[C@@H]2CCN(C(=O)c3ncccn3)C2)nn1 ZINC000225440005 201708840 /nfs/dbraw/zinc/70/88/40/201708840.db2.gz SGVIWQHMOGBMQS-SNVBAGLBSA-N 0 0 301.306 0.569 50 0 DCAARN CC[C@@]1(O)CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000332628440 529569563 /nfs/dbraw/zinc/56/95/63/529569563.db2.gz GLMFLSZQIMXPJA-BXKDBHETSA-N 0 0 308.300 0.771 50 0 DCAARN CC(=O)N1CCN(C(=O)NC[C@H](c2ccco2)N(C)C)CC1 ZINC000089954494 185271435 /nfs/dbraw/zinc/27/14/35/185271435.db2.gz BTKHSJKPSPBRDQ-CYBMUJFWSA-N 0 0 308.382 0.756 50 0 DCAARN O=C(NCCc1csc(-n2cccn2)n1)c1ccc(=O)[nH]c1 ZINC000090703336 185310682 /nfs/dbraw/zinc/31/06/82/185310682.db2.gz SFNCPWJNSUMQDM-UHFFFAOYSA-N 0 0 315.358 0.990 50 0 DCAARN CN(C)c1ccc([C@@H](O)CNC(=O)c2cccn(C)c2=O)cc1 ZINC000090611664 185306808 /nfs/dbraw/zinc/30/68/08/185306808.db2.gz CLXUFNIZEKTVMV-HNNXBMFYSA-N 0 0 315.373 0.915 50 0 DCAARN COCCN(CCOC)C(=O)c1nc2nc(C)cc(C)n2n1 ZINC000005429092 190620845 /nfs/dbraw/zinc/62/08/45/190620845.db2.gz LDQNQMHPYSOZAS-UHFFFAOYSA-N 0 0 307.354 0.476 50 0 DCAARN CNC(=O)c1nc(Cn2ncc(N3CCCCC3)cc2=O)no1 ZINC000095389515 185351106 /nfs/dbraw/zinc/35/11/06/185351106.db2.gz SOOPYIKMQSFARH-UHFFFAOYSA-N 0 0 318.337 0.025 50 0 DCAARN CCn1ccnc1CN(C)C(=O)C1CCN(C(=O)COC)CC1 ZINC000095389355 185351140 /nfs/dbraw/zinc/35/11/40/185351140.db2.gz KECZHSDLLJQUBF-UHFFFAOYSA-N 0 0 322.409 0.746 50 0 DCAARN CCc1nnc(NC2CCN(C(=O)N3CCOCC3)CC2)o1 ZINC000095390426 185351490 /nfs/dbraw/zinc/35/14/90/185351490.db2.gz ZRQAXUGBGZDKFP-UHFFFAOYSA-N 0 0 309.370 0.961 50 0 DCAARN O=C(CN1CCN(c2ccncn2)CC1)NCc1ccccc1 ZINC000095443270 185367176 /nfs/dbraw/zinc/36/71/76/185367176.db2.gz ASCLRGGPJKFAPS-UHFFFAOYSA-N 0 0 311.389 0.915 50 0 DCAARN COC(=O)CCN1CC[C@@H](NC(=O)c2cc(F)ccc2O)C1=O ZINC000095452864 185369481 /nfs/dbraw/zinc/36/94/81/185369481.db2.gz FHWSPBQSQNUSPD-LLVKDONJSA-N 0 0 324.308 0.425 50 0 DCAARN O=C(NCCN1CCOCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000097016353 185397597 /nfs/dbraw/zinc/39/75/97/185397597.db2.gz ZAPULQDBNHIBSJ-GDBMZVCRSA-N 0 0 311.426 0.655 50 0 DCAARN CNC(=O)CCNC(=O)[C@@H](C)Oc1ccn(-c2ccccc2)n1 ZINC000226853167 201789512 /nfs/dbraw/zinc/78/95/12/201789512.db2.gz SGORWUDUMJYENF-GFCCVEGCSA-N 0 0 316.361 0.892 50 0 DCAARN COc1ccc(NC(=O)CCNC(=O)c2cnccn2)cn1 ZINC000170625689 197794635 /nfs/dbraw/zinc/79/46/35/197794635.db2.gz MBXNMGZNOREPLZ-UHFFFAOYSA-N 0 0 301.306 0.639 50 0 DCAARN C[C@@H]1CS(=O)(=O)CCN1CC(=O)N(C)Cc1ccco1 ZINC000170635517 197796543 /nfs/dbraw/zinc/79/65/43/197796543.db2.gz WWEGKZMQVKKGCX-LLVKDONJSA-N 0 0 300.380 0.357 50 0 DCAARN C[C@H]1CN(C(=O)c2cc(N(C)C)nc(N(C)C)n2)C[C@H](C)O1 ZINC000001742471 290761612 /nfs/dbraw/zinc/76/16/12/290761612.db2.gz RYYLUUBRGYCMRI-QWRGUYRKSA-N 0 0 307.398 0.858 50 0 DCAARN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)C(=O)OC)c1 ZINC000181935530 199365537 /nfs/dbraw/zinc/36/55/37/199365537.db2.gz XDGJPDBQEGYWDU-NXEZZACHSA-N 0 0 300.380 0.807 50 0 DCAARN CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1cnnn1 ZINC000069923837 190838637 /nfs/dbraw/zinc/83/86/37/190838637.db2.gz FIWUOUPZVHAKSF-UHFFFAOYSA-N 0 0 320.328 0.688 50 0 DCAARN Cn1c2nc(Cl)n(Cc3ccncc3)c2c(=O)n(C)c1=O ZINC000000098060 282608331 /nfs/dbraw/zinc/60/83/31/282608331.db2.gz RVRRJTJSTZTEPK-UHFFFAOYSA-N 0 0 305.725 0.530 50 0 biogenic DCAARN COc1ccc2[nH]c(C(=O)N3CC[NH2+][C@@H](C(=O)[O-])C3)c(C)c2c1 ZINC000071746391 191018985 /nfs/dbraw/zinc/01/89/85/191018985.db2.gz MVDYWMLIKRONOF-CYBMUJFWSA-N 0 0 317.345 0.984 50 0 DCAARN O=C(NCc1scnc1-c1ccccc1)[C@H]1CNCC(=O)N1 ZINC000071752419 191023748 /nfs/dbraw/zinc/02/37/48/191023748.db2.gz DOIKJOCRASKVDM-LLVKDONJSA-N 0 0 316.386 0.514 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1C[C@H]2[C@@H](C1)C1CCC2CC1 ZINC000071756876 191025388 /nfs/dbraw/zinc/02/53/88/191025388.db2.gz IFQGCPVIHVWARP-QCBYLEPLSA-N 0 0 317.389 0.809 50 0 DCAARN CCO[C@H]1COC[C@@H]1NC(=O)C(=O)N1CCc2ccccc21 ZINC000071764937 191027563 /nfs/dbraw/zinc/02/75/63/191027563.db2.gz CEDUPJWEDGTCAX-JSGCOSHPSA-N 0 0 304.346 0.496 50 0 DCAARN Cc1cc(C)n([C@@H](C)C(=O)N2CCc3c(nc(N)[nH]c3=O)C2)n1 ZINC000072138969 191048053 /nfs/dbraw/zinc/04/80/53/191048053.db2.gz JGGMIIBSHYUPBV-JTQLQIEISA-N 0 0 316.365 0.311 50 0 DCAARN COc1cc2c(cc1OC)CCN(CC(=O)NC(N)=O)CC2 ZINC000138747232 186019113 /nfs/dbraw/zinc/01/91/13/186019113.db2.gz MLMGOWDSSITKHO-UHFFFAOYSA-N 0 0 307.350 0.299 50 0 DCAARN Cn1ccnc1CN1CCN(CC(=O)N2CCCCC2)CC1 ZINC000072129247 191043425 /nfs/dbraw/zinc/04/34/25/191043425.db2.gz JUFXJXMOWZYVGF-UHFFFAOYSA-N 0 0 305.426 0.550 50 0 DCAARN COCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 ZINC000072142055 191049960 /nfs/dbraw/zinc/04/99/60/191049960.db2.gz ADFPXUSMTHEEPT-CQSZACIVSA-N 0 0 323.368 0.279 50 0 DCAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)C)cc1C ZINC000072144732 191050422 /nfs/dbraw/zinc/05/04/22/191050422.db2.gz DWTXXQUTZGXOCF-CQSZACIVSA-N 0 0 319.405 0.782 50 0 DCAARN CCNC(=O)CN1CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000072158554 191060684 /nfs/dbraw/zinc/06/06/84/191060684.db2.gz BAMLXLFUFULWAV-UHFFFAOYSA-N 0 0 307.442 0.961 50 0 DCAARN CC(C)c1nc2c(cnn2C)c(NCCN2CCNC2=O)n1 ZINC000072165638 191065783 /nfs/dbraw/zinc/06/57/83/191065783.db2.gz IELFREZIPMIHQP-UHFFFAOYSA-N 0 0 303.370 0.924 50 0 DCAARN CC(C)n1nnnc1CNC(=O)c1ccc2c(c1)OCCO2 ZINC000072239344 191082678 /nfs/dbraw/zinc/08/26/78/191082678.db2.gz PMKMVYNVYGKLKL-UHFFFAOYSA-N 0 0 303.322 0.955 50 0 DCAARN CC(C)n1cc(S(=O)(=O)NCCCN2CCOCC2)cn1 ZINC000072239300 191083317 /nfs/dbraw/zinc/08/33/17/191083317.db2.gz SLONOXXEWNKEDY-UHFFFAOYSA-N 0 0 316.427 0.465 50 0 DCAARN COCc1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000072240289 191084101 /nfs/dbraw/zinc/08/41/01/191084101.db2.gz UOFQOJPCYUZPOE-LLVKDONJSA-N 0 0 319.404 0.298 50 0 DCAARN OC[C@@H]1CCCN1c1cc(NCCNc2cccnn2)ncn1 ZINC000072276278 191098351 /nfs/dbraw/zinc/09/83/51/191098351.db2.gz VBISPHNKMRLURQ-LBPRGKRZSA-N 0 0 315.381 0.752 50 0 DCAARN CC(C)(C(=O)N[C@@H]1Cc2ccccc2[C@H]1O)N1CCOCC1 ZINC000253392896 186303803 /nfs/dbraw/zinc/30/38/03/186303803.db2.gz FFWVRBULUXKYDE-HUUCEWRRSA-N 0 0 304.390 0.872 50 0 DCAARN Cc1nc(S(=O)(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)cn1C ZINC000253402739 186306717 /nfs/dbraw/zinc/30/67/17/186306717.db2.gz OPVGGBFWESAZHN-IJLUTSLNSA-N 0 0 315.395 0.343 50 0 DCAARN O=C(NCc1n[nH]c(=O)c2ccccc12)[C@H]1NCCc2nc[nH]c21 ZINC000072409728 191153316 /nfs/dbraw/zinc/15/33/16/191153316.db2.gz ZYWZIEITTPYIPS-AWEZNQCLSA-N 0 0 324.344 0.149 50 0 DCAARN COCc1nnc(NC(=O)COc2cn(C)c(C)cc2=O)s1 ZINC000072400926 191150935 /nfs/dbraw/zinc/15/09/35/191150935.db2.gz ULQNEIMBJBNCEE-UHFFFAOYSA-N 0 0 324.362 0.709 50 0 DCAARN Cc1nc2ncnn2c2ccn(CCN3CCOCC3)c(=O)c12 ZINC000072403968 191152344 /nfs/dbraw/zinc/15/23/44/191152344.db2.gz JYJWRVBDZXBJBS-UHFFFAOYSA-N 0 0 314.349 0.080 50 0 DCAARN O=C(NCCN1CCc2ccccc21)[C@@H]1NCCc2nc[nH]c21 ZINC000072430232 191162787 /nfs/dbraw/zinc/16/27/87/191162787.db2.gz XQVZPHCJJSDTRB-MRXNPFEDSA-N 0 0 311.389 0.775 50 0 DCAARN Cc1nc(C2CCN(C(=O)CO)CC2)cc(N2CCOCC2)n1 ZINC000072425659 191160248 /nfs/dbraw/zinc/16/02/48/191160248.db2.gz LBLIDLVZHGEFKL-UHFFFAOYSA-N 0 0 320.393 0.320 50 0 DCAARN CC(C)Oc1cc(N2CCC[C@@]3(CNC(=O)O3)C2)nc(N)n1 ZINC000072426682 191160889 /nfs/dbraw/zinc/16/08/89/191160889.db2.gz NDYYUWJALSSDHP-CQSZACIVSA-N 0 0 307.354 0.925 50 0 DCAARN O=C(Nc1ccccc1N1CCOCC1)C1=NNC(=O)CC1 ZINC000000157337 180710959 /nfs/dbraw/zinc/71/09/59/180710959.db2.gz FGDDKCTVTPFQSN-UHFFFAOYSA-N 0 0 302.334 0.728 50 0 DCAARN COCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000355192 180765330 /nfs/dbraw/zinc/76/53/30/180765330.db2.gz GCXFSTBJZINGAH-UHFFFAOYSA-N 0 0 314.363 0.292 50 0 DCAARN O=C(CN1CCOCCOCCOCC1)Nc1ccccc1 ZINC000000358710 180765719 /nfs/dbraw/zinc/76/57/19/180765719.db2.gz GMNCNLQDUDSCJO-UHFFFAOYSA-N 0 0 308.378 0.991 50 0 DCAARN CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000001077824 180845887 /nfs/dbraw/zinc/84/58/87/180845887.db2.gz FCKFMFZYTAEQMP-SNVBAGLBSA-N 0 0 307.368 0.633 50 0 DCAARN COCCCNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000002065563 180908879 /nfs/dbraw/zinc/90/88/79/180908879.db2.gz AHXFCHDPFVIVEP-UHFFFAOYSA-N 0 0 320.798 0.771 50 0 DCAARN NC(=O)NC(=O)COC(=O)COc1ccc2ccccc2c1 ZINC000002634296 180941647 /nfs/dbraw/zinc/94/16/47/180941647.db2.gz WZPLPVGWGFVSFZ-UHFFFAOYSA-N 0 0 302.286 0.957 50 0 DCAARN CC(C)CNC(=O)NC(=O)CSc1nnc(C2CC2)n1N ZINC000003484331 181025794 /nfs/dbraw/zinc/02/57/94/181025794.db2.gz YJLAIRNKILXOJD-UHFFFAOYSA-N 0 0 312.399 0.443 50 0 DCAARN O=C(COC(=O)c1ccccn1)NC(=O)NCc1ccco1 ZINC000003507532 181027546 /nfs/dbraw/zinc/02/75/46/181027546.db2.gz MQWDVLYXNCPCTP-UHFFFAOYSA-N 0 0 303.274 0.857 50 0 DCAARN CCOC(=O)CCCC(=O)N1CCOCCOCCOCC1 ZINC000003900463 181054860 /nfs/dbraw/zinc/05/48/60/181054860.db2.gz UWVHRDRVULDRJA-UHFFFAOYSA-N 0 0 317.382 0.612 50 0 DCAARN CNC(=O)[C@@H](C)NC(=O)CN1C[C@H](c2ccccc2)CC1=O ZINC000004017575 181063135 /nfs/dbraw/zinc/06/31/35/181063135.db2.gz GTMSYJWCQWBIOB-DGCLKSJQSA-N 0 0 303.362 0.253 50 0 DCAARN COc1ncnc(OC)c1S(=O)(=O)N1CCSCC1 ZINC000004091657 181071875 /nfs/dbraw/zinc/07/18/75/181071875.db2.gz SUEGLZSAFLBDLB-UHFFFAOYSA-N 0 0 305.381 0.231 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@]2(C)NN1 ZINC000004104476 181073236 /nfs/dbraw/zinc/07/32/36/181073236.db2.gz YBIPHAVVFCMZLI-MEDUHNTESA-N 0 0 315.329 0.684 50 0 DCAARN CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1cccc(C)c1 ZINC000004107517 181074366 /nfs/dbraw/zinc/07/43/66/181074366.db2.gz XZPAYVFPBIHWBX-ZDUSSCGKSA-N 0 0 312.391 0.873 50 0 DCAARN NC(=O)CSc1ncnc2c1nnn2Cc1ccc(F)cc1 ZINC000004166423 181081312 /nfs/dbraw/zinc/08/13/12/181081312.db2.gz PPPXTBHNAOAOJC-UHFFFAOYSA-N 0 0 318.337 0.986 50 0 DCAARN CCN1CCN(CC(=O)NCc2ccc(F)cc2)C(=O)C1=O ZINC000004326387 181097678 /nfs/dbraw/zinc/09/76/78/181097678.db2.gz KAQJHAQQNPTSGT-UHFFFAOYSA-N 0 0 307.325 0.133 50 0 DCAARN CCOc1ccc(NC(=O)CN2CCN(CC)C(=O)C2=O)cc1 ZINC000004326323 181097984 /nfs/dbraw/zinc/09/79/84/181097984.db2.gz ASVNPJDJQWJOPI-UHFFFAOYSA-N 0 0 319.361 0.715 50 0 DCAARN COC(=O)[C@](O)(NC(=O)COc1ccccc1)C(F)(F)F ZINC000004336754 181099147 /nfs/dbraw/zinc/09/91/47/181099147.db2.gz UAJHKYUUESQFND-LLVKDONJSA-N 0 0 307.224 0.606 50 0 DCAARN Cn1cc(C(=O)CCC(=O)N2CC[C@](O)(C(F)(F)F)C2)cn1 ZINC000280269358 215498419 /nfs/dbraw/zinc/49/84/19/215498419.db2.gz VNWXKQWVTKRPNB-GFCCVEGCSA-N 0 0 319.283 0.909 50 0 DCAARN O=c1[nH]cc(S(=O)(=O)Nc2ccc(F)c(F)c2)c(=O)[nH]1 ZINC000004479993 181113008 /nfs/dbraw/zinc/11/30/08/181113008.db2.gz HZRDAUSJGWLTTB-UHFFFAOYSA-N 0 0 303.246 0.142 50 0 DCAARN C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NC1CC1 ZINC000004493136 181114609 /nfs/dbraw/zinc/11/46/09/181114609.db2.gz GLCZCNQOYLJYNG-SECBINFHSA-N 0 0 315.329 0.676 50 0 DCAARN COCCNC(=O)CSc1nc2ccc(C)cn2c(=O)n1 ZINC000004503712 181116584 /nfs/dbraw/zinc/11/65/84/181116584.db2.gz LVXMNSROAWFYLM-UHFFFAOYSA-N 0 0 308.363 0.253 50 0 DCAARN COc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000004504489 181117145 /nfs/dbraw/zinc/11/71/45/181117145.db2.gz CRGZLARAMBNPKA-LLVKDONJSA-N 0 0 313.375 0.963 50 0 DCAARN Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000004505384 181117188 /nfs/dbraw/zinc/11/71/88/181117188.db2.gz TUZPKPPVPCZDSG-LLVKDONJSA-N 0 0 303.405 0.769 50 0 DCAARN COc1ccc([C@H]2NC(=S)NC(C)=C2C(N)=O)cc1OC ZINC000004574732 181126297 /nfs/dbraw/zinc/12/62/97/181126297.db2.gz LEHNTSXUUSWBBV-GFCCVEGCSA-N 0 0 307.375 0.982 50 0 DCAARN COC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000004703326 181139904 /nfs/dbraw/zinc/13/99/04/181139904.db2.gz NPNMHVWNYVWURD-UHFFFAOYSA-N 0 0 301.320 0.397 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2ccccc2oc1=O ZINC000004333221 295894895 /nfs/dbraw/zinc/89/48/95/295894895.db2.gz GXHPTPOTMDEDID-JTQLQIEISA-N 0 0 307.327 0.710 50 0 DCAARN COc1ccc(Cl)cc1N([C@H](C)C(N)=O)S(C)(=O)=O ZINC000004867889 181165892 /nfs/dbraw/zinc/16/58/92/181165892.db2.gz QGMRXVHAEKYPOP-SSDOTTSWSA-N 0 0 306.771 0.988 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CC2)cc1C ZINC000004858471 181164460 /nfs/dbraw/zinc/16/44/60/181164460.db2.gz JBHZXUTXTBPAQC-JTQLQIEISA-N 0 0 312.391 0.949 50 0 DCAARN Cc1nc([C@H]2CCCN2CC(=O)N[C@@H]2CCCCNC2=O)no1 ZINC000075573147 191493458 /nfs/dbraw/zinc/49/34/58/191493458.db2.gz NQFYJYPQWYXNGK-VXGBXAGGSA-N 0 0 321.381 0.300 50 0 DCAARN O=C(c1ccccc1-n1cncn1)N1CCOC[C@H](CO)C1 ZINC000077385897 191706179 /nfs/dbraw/zinc/70/61/79/191706179.db2.gz UTFBAIHBISBTFM-LBPRGKRZSA-N 0 0 302.334 0.348 50 0 DCAARN O=C(COc1ccc2c(c1)CCC2)OCC(=O)N1CCNC1=O ZINC000005229974 181218827 /nfs/dbraw/zinc/21/88/27/181218827.db2.gz LHOLOWMQABWJCY-UHFFFAOYSA-N 0 0 318.329 0.649 50 0 DCAARN CNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005250758 181221827 /nfs/dbraw/zinc/22/18/27/181221827.db2.gz AJQBFAXIYDDVGQ-UHFFFAOYSA-N 0 0 311.363 0.301 50 0 DCAARN Cn1c(CNC(=O)c2ccc3nnnn3c2)nc2ccccc21 ZINC000079496616 191944691 /nfs/dbraw/zinc/94/46/91/191944691.db2.gz SIROJCHBBZMRDJ-UHFFFAOYSA-N 0 0 307.317 0.941 50 0 DCAARN CC[C@H](C)[C@H](NC(N)=O)C(=O)NCC(=O)OCc1ccccc1 ZINC000005295709 181227117 /nfs/dbraw/zinc/22/71/17/181227117.db2.gz AXRTXSLLBAMENN-FZMZJTMJSA-N 0 0 321.377 0.929 50 0 DCAARN C[C@H](OC(=O)CCCc1nc2ccccc2c(=O)[nH]1)C(N)=O ZINC000005312847 181228465 /nfs/dbraw/zinc/22/84/65/181228465.db2.gz JGTYFTRDMSSTIX-VIFPVBQESA-N 0 0 303.318 0.663 50 0 DCAARN O=C(NC[C@@H]1CCCO1)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000005352988 181233969 /nfs/dbraw/zinc/23/39/69/181233969.db2.gz XIXWZMZLNMZBQZ-RYUDHWBXSA-N 0 0 312.366 0.084 50 0 DCAARN O=C(C[C@H]1NCCNC1=O)Nc1ccc(Br)cc1 ZINC000005429007 181242774 /nfs/dbraw/zinc/24/27/74/181242774.db2.gz SCQRKLZRHNFUQY-SNVBAGLBSA-N 0 0 312.167 0.866 50 0 DCAARN C[C@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)NC1CC1 ZINC000005586090 181260494 /nfs/dbraw/zinc/26/04/94/181260494.db2.gz JBOJAFFYKVXXBL-VIFPVBQESA-N 0 0 311.359 0.914 50 0 DCAARN CS(=O)(=O)c1nccn1Cc1nnnn1-c1ccccc1 ZINC000081272469 192243313 /nfs/dbraw/zinc/24/33/13/192243313.db2.gz MXGKYZKCIUELSY-UHFFFAOYSA-N 0 0 304.335 0.311 50 0 DCAARN COc1cccc(N(CC(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000005727243 181277065 /nfs/dbraw/zinc/27/70/65/181277065.db2.gz DNPPOQBEXUBEDT-UHFFFAOYSA-N 0 0 300.380 0.986 50 0 DCAARN O=C(NCc1cccnc1)[C@H]1CSc2nccc(=O)n2C1 ZINC000085473965 192512035 /nfs/dbraw/zinc/51/20/35/192512035.db2.gz HIHZBSJFVPEFPR-LLVKDONJSA-N 0 0 302.359 0.677 50 0 DCAARN CC(C)CN(CC(C)C)C(=O)COC(=O)C1=NNC(=O)CC1 ZINC000005938151 181298335 /nfs/dbraw/zinc/29/83/35/181298335.db2.gz PGKNFEQZUSWHMB-UHFFFAOYSA-N 0 0 311.382 0.936 50 0 DCAARN CN(C(=O)NC[C@@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 ZINC000089335155 192769137 /nfs/dbraw/zinc/76/91/37/192769137.db2.gz VKVGFNVBWCOXPM-OLZOCXBDSA-N 0 0 324.402 0.819 50 0 DCAARN C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@H](C)N1CCSCC1 ZINC000089904088 295991800 /nfs/dbraw/zinc/99/18/00/295991800.db2.gz VOFUAXTYZQSRBV-QWRGUYRKSA-N 0 0 308.469 0.315 50 0 DCAARN CS(=O)(=O)N(CCn1ncsc1=O)Cc1ccccc1 ZINC000188191415 200206521 /nfs/dbraw/zinc/20/65/21/200206521.db2.gz HLCGLFCYEGZIRG-UHFFFAOYSA-N 0 0 313.404 0.767 50 0 DCAARN Cn1c(CCNC(=O)[C@@H]2COCCN2)nc2cc(F)ccc21 ZINC000237735785 202342965 /nfs/dbraw/zinc/34/29/65/202342965.db2.gz NOJZHRZAXASWDY-LBPRGKRZSA-N 0 0 306.341 0.360 50 0 DCAARN O=C(NCCOc1ncc(Cl)cc1Cl)[C@@H]1COCCN1 ZINC000237791488 202356160 /nfs/dbraw/zinc/35/61/60/202356160.db2.gz PZBFFZSRTLOJMJ-JTQLQIEISA-N 0 0 320.176 0.872 50 0 DCAARN COc1cc([C@@H]2CC3(C)NC(=O)C2C(=O)N3)cc(OC)c1OC ZINC000005964016 181301528 /nfs/dbraw/zinc/30/15/28/181301528.db2.gz RMOFNLPICOFCTQ-GKMMUAHYSA-N 0 0 320.345 0.778 50 0 biogenic DCAARN CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(NC(C)=O)c1 ZINC000005989839 181304082 /nfs/dbraw/zinc/30/40/82/181304082.db2.gz PLOUGJAZDSNKJR-MRVPVSSYSA-N 0 0 307.306 0.646 50 0 DCAARN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000240225411 238157828 /nfs/dbraw/zinc/15/78/28/238157828.db2.gz DHQMONRRAXXTRK-AAEUAGOBSA-N 0 0 315.439 0.706 50 0 DCAARN Cn1c(SCC(=O)N2CCNC2=O)nnc1-c1ccncc1 ZINC000006138024 181315839 /nfs/dbraw/zinc/31/58/39/181315839.db2.gz ZYQFUJWYFQKUEE-UHFFFAOYSA-N 0 0 318.362 0.521 50 0 DCAARN C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)C(N)=O ZINC000006436490 181341548 /nfs/dbraw/zinc/34/15/48/181341548.db2.gz HVAMACRAQYFKGH-SSDOTTSWSA-N 0 0 318.326 0.107 50 0 DCAARN CN1N=C(C(=O)NCCc2nc3c(s2)CCC3)CCC1=O ZINC000244831482 202500895 /nfs/dbraw/zinc/50/08/95/202500895.db2.gz UEOMVVBWQIJURA-UHFFFAOYSA-N 0 0 306.391 0.899 50 0 DCAARN O=C(Cn1ncccc1=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000245093429 202511471 /nfs/dbraw/zinc/51/14/71/202511471.db2.gz RNEPHSZCXYXNMS-GFCCVEGCSA-N 0 0 314.349 0.186 50 0 DCAARN CN1CC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000006617542 181361556 /nfs/dbraw/zinc/36/15/56/181361556.db2.gz YFFZGHSYBGYYKJ-UHFFFAOYSA-N 0 0 305.290 0.290 50 0 DCAARN CCCn1c(N)c(C(=O)CN2CCCCCC2)c(=O)[nH]c1=O ZINC000006787940 181389028 /nfs/dbraw/zinc/38/90/28/181389028.db2.gz JBVORUYIOQZLNP-UHFFFAOYSA-N 0 0 308.382 0.588 50 0 DCAARN COCCCNC(=O)Cn1c(=O)c2cccn2c2cccnc21 ZINC000006797257 181390624 /nfs/dbraw/zinc/39/06/24/181390624.db2.gz USRFCFYWZRJOJE-UHFFFAOYSA-N 0 0 314.345 0.802 50 0 DCAARN COCc1ccc(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@]3(C(=O)[O-])C2)o1 ZINC000091325441 193040088 /nfs/dbraw/zinc/04/00/88/193040088.db2.gz PRUNKDKTEDNOQX-ZBEGNZNMSA-N 0 0 322.361 0.905 50 0 DCAARN CN(CCCc1nccn1C)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000091617034 193079818 /nfs/dbraw/zinc/07/98/18/193079818.db2.gz KOSDLXWJVSUMIG-GFCCVEGCSA-N 0 0 304.394 0.822 50 0 DCAARN NS(=O)(=O)c1ccc(F)c(C(=O)N2CCn3cccc3C2)c1 ZINC000091587014 193075303 /nfs/dbraw/zinc/07/53/03/193075303.db2.gz WDPXRRDEFLYUNK-UHFFFAOYSA-N 0 0 323.349 0.931 50 0 DCAARN Cc1ccccc1Cc1nnn(CCN2CCCS2(=O)=O)n1 ZINC000091599954 193078930 /nfs/dbraw/zinc/07/89/30/193078930.db2.gz SGRZRLGMPUCNSU-UHFFFAOYSA-N 0 0 321.406 0.608 50 0 DCAARN CC(C)c1cc(CN(C)C(=O)CC[C@@H]2NC(=O)NC2=O)no1 ZINC000091468844 193060186 /nfs/dbraw/zinc/06/01/86/193060186.db2.gz KTVVJLGOQLTCLF-JTQLQIEISA-N 0 0 308.338 0.745 50 0 DCAARN Cc1n[nH]c(CCC(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3O)c1C ZINC000091644815 193083848 /nfs/dbraw/zinc/08/38/48/193083848.db2.gz BQGHGXNSEIAYKK-OKILXGFUSA-N 0 0 307.394 0.693 50 0 DCAARN O=C(c1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1)N1CCCC1 ZINC000091645931 193085088 /nfs/dbraw/zinc/08/50/88/193085088.db2.gz VQPQPIWFVBBXBN-ZDUSSCGKSA-N 0 0 324.402 0.990 50 0 DCAARN CCn1nc(C)c(CCNC(=O)[C@@H]2CCCN(C(N)=O)C2)c1C ZINC000091665107 193087860 /nfs/dbraw/zinc/08/78/60/193087860.db2.gz KVRQLWQVSZWWEK-CYBMUJFWSA-N 0 0 321.425 0.969 50 0 DCAARN CN(C)C(=O)NCC(=O)N1CC[C@@H](Cc2cccc(CO)c2)C1 ZINC000091707735 193095612 /nfs/dbraw/zinc/09/56/12/193095612.db2.gz UAMCDUKLDFZRQR-AWEZNQCLSA-N 0 0 319.405 0.841 50 0 DCAARN COc1cccc([C@@H]2CCN2C(=O)CN2C(=O)CNC2=O)c1 ZINC000091779270 193106359 /nfs/dbraw/zinc/10/63/59/193106359.db2.gz JGVXSAKMBNFJKP-LBPRGKRZSA-N 0 0 303.318 0.520 50 0 DCAARN Cc1nc(CCNC(=O)c2cnc(C3CC3)[nH]c2=O)cc(=O)[nH]1 ZINC000091807816 193110895 /nfs/dbraw/zinc/11/08/95/193110895.db2.gz QPMBLZIPSZPVRU-UHFFFAOYSA-N 0 0 315.333 0.012 50 0 DCAARN CN(CCc1ccccn1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C ZINC000091830445 193113790 /nfs/dbraw/zinc/11/37/90/193113790.db2.gz VQQWIROXIUDLTI-LBPRGKRZSA-N 0 0 304.350 0.365 50 0 DCAARN Cc1cc(C(=O)NCCSc2nnnn2C)c(=O)[nH]c1C ZINC000091849006 193117194 /nfs/dbraw/zinc/11/71/94/193117194.db2.gz IHDNQOOJRUGFBV-UHFFFAOYSA-N 0 0 308.367 0.037 50 0 DCAARN CSc1ncc(CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)n1C ZINC000091964698 193133787 /nfs/dbraw/zinc/13/37/87/193133787.db2.gz WTPAABZMDLKNEN-VIFPVBQESA-N 0 0 308.407 0.769 50 0 DCAARN O=C([O-])[C@@H]1C[N@H+](CCN2CCOCC2)C[C@H]1c1ccccn1 ZINC000091997858 193139771 /nfs/dbraw/zinc/13/97/71/193139771.db2.gz IPFVDABKQXACLX-ZIAGYGMSSA-N 0 0 305.378 0.514 50 0 DCAARN NS(=O)(=O)c1ccc(CCn2cc(-c3ncc[nH]3)nn2)cc1 ZINC000092061721 193150518 /nfs/dbraw/zinc/15/05/18/193150518.db2.gz DVEPPBOCPBYVIK-UHFFFAOYSA-N 0 0 318.362 0.558 50 0 DCAARN CC(C)c1cc(C(=O)NCCN2CCOCC2)nc2ncnn21 ZINC000215679291 201467394 /nfs/dbraw/zinc/46/73/94/201467394.db2.gz IEJPUIQJVUKOJQ-UHFFFAOYSA-N 0 0 318.381 0.310 50 0 DCAARN O=C(CN1CCCN(C(=O)c2ccncn2)CC1)N1CCCC1 ZINC000275275622 212241860 /nfs/dbraw/zinc/24/18/60/212241860.db2.gz JRWAXSIIFULGCJ-UHFFFAOYSA-N 0 0 317.393 0.247 50 0 DCAARN CSCc1noc(CNC(=O)c2nnc3nc(C)ccn32)n1 ZINC000219943738 201566971 /nfs/dbraw/zinc/56/69/71/201566971.db2.gz PAVRJYBZCYLELV-UHFFFAOYSA-N 0 0 319.350 0.609 50 0 DCAARN C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nncn1C ZINC000222931119 201627392 /nfs/dbraw/zinc/62/73/92/201627392.db2.gz DRPFGVWPJYRROD-SNVBAGLBSA-N 0 0 312.333 0.402 50 0 DCAARN O=S(=O)(N[C@@H]1COCC[C@@H]1OCc1cscn1)C1CC1 ZINC000223125600 201635231 /nfs/dbraw/zinc/63/52/31/201635231.db2.gz QPOIBRWEQMQMNB-NEPJUHHUSA-N 0 0 318.420 0.899 50 0 DCAARN CC(=O)N[C@H]1CCCN(C(=O)CCS(=O)(=O)CC(C)C)C1 ZINC000095950693 193455990 /nfs/dbraw/zinc/45/59/90/193455990.db2.gz SIFLPDZTQGLLLW-ZDUSSCGKSA-N 0 0 318.439 0.574 50 0 DCAARN CN1C[C@H](COC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)CC1=O ZINC000095459250 193445140 /nfs/dbraw/zinc/44/51/40/193445140.db2.gz PJOOWHIGGACNQQ-GPCCPHFNSA-N 0 0 312.391 0.462 50 0 DCAARN CN(C(=O)COc1cnc(S(C)(=O)=O)nc1)c1ccccc1 ZINC000095941600 193452861 /nfs/dbraw/zinc/45/28/61/193452861.db2.gz VRLGOZYWDWRKFC-UHFFFAOYSA-N 0 0 321.358 0.922 50 0 DCAARN O=C(CO)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000095999166 193485443 /nfs/dbraw/zinc/48/54/43/193485443.db2.gz JRNYWUWAEAXGQG-CYBMUJFWSA-N 0 0 324.402 0.362 50 0 DCAARN O=C(CO)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000095999167 193485624 /nfs/dbraw/zinc/48/56/24/193485624.db2.gz JRNYWUWAEAXGQG-ZDUSSCGKSA-N 0 0 324.402 0.362 50 0 DCAARN Cn1cnnc1CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000096007588 193487377 /nfs/dbraw/zinc/48/73/77/193487377.db2.gz PKKIFYSVPZLHME-UHFFFAOYSA-N 0 0 321.284 0.707 50 0 DCAARN CC(C)(C)S(=O)(=O)[C@H]1CCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000096103441 193538289 /nfs/dbraw/zinc/53/82/89/193538289.db2.gz ZHBNMHNKPUKZBX-VIFPVBQESA-N 0 0 321.424 0.386 50 0 DCAARN COCC[N@@H+]1C[C@@H]2CN(c3nnc(C)s3)C[C@]2(C(=O)[O-])C1 ZINC000096165065 193559495 /nfs/dbraw/zinc/55/94/95/193559495.db2.gz JHSDYSNIRRBJNM-ZWNOBZJWSA-N 0 0 312.395 0.316 50 0 DCAARN CC1(C)CN(S(=O)(=O)c2cncc(F)c2)CC[S@]1=O ZINC000096475488 193661209 /nfs/dbraw/zinc/66/12/09/193661209.db2.gz VIDFCJSBYCNFAQ-SFHVURJKSA-N 0 0 306.384 0.752 50 0 DCAARN COc1nn(C)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009070076 181600064 /nfs/dbraw/zinc/60/00/64/181600064.db2.gz DDCQGSDDCMQJEV-UHFFFAOYSA-N 0 0 310.335 0.328 50 0 DCAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cn1ccccc1=O ZINC000014094008 181925213 /nfs/dbraw/zinc/92/52/13/181925213.db2.gz GGEYFYQBKAKUNY-UHFFFAOYSA-N 0 0 324.340 0.743 50 0 DCAARN C[C@@]1(c2ccc(F)cc2)NC(=O)N(CN2CCOCC2)C1=O ZINC000014139757 181929246 /nfs/dbraw/zinc/92/92/46/181929246.db2.gz XWAXOKRGVGKMAY-HNNXBMFYSA-N 0 0 307.325 0.882 50 0 DCAARN O=C([O-])[C@H](CC(=O)Nc1ccc(F)cc1F)N1CC[NH2+]CC1 ZINC000022593011 304169676 /nfs/dbraw/zinc/16/96/76/304169676.db2.gz REXNGKNNXOTWFQ-LBPRGKRZSA-N 0 0 313.304 0.652 50 0 DCAARN C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000015400895 182000812 /nfs/dbraw/zinc/00/08/12/182000812.db2.gz JMMIPBCTCGEWEX-QWHCGFSZSA-N 0 0 317.455 0.259 50 0 DCAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N(C)C)c1 ZINC000016092091 182033698 /nfs/dbraw/zinc/03/36/98/182033698.db2.gz FXLVKOLTVLWVCL-UHFFFAOYSA-N 0 0 301.320 0.510 50 0 DCAARN CNC(=O)COC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000016329612 182040023 /nfs/dbraw/zinc/04/00/23/182040023.db2.gz KOBDZJNHNZWJEN-SNVBAGLBSA-N 0 0 300.355 0.923 50 0 DCAARN CN1CCN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 ZINC000018125963 182093726 /nfs/dbraw/zinc/09/37/26/182093726.db2.gz UNFNGAODJTVAFN-CHWSQXEVSA-N 0 0 305.378 0.102 50 0 DCAARN COc1ccc(N2C(=O)C[C@@H](N3CCC(O)CC3)C2=O)cc1 ZINC000018283342 182101288 /nfs/dbraw/zinc/10/12/88/182101288.db2.gz LJBFDTPFUNHCGC-CQSZACIVSA-N 0 0 304.346 0.784 50 0 DCAARN CCCCCCN1C(=O)C[C@@H](SC[C@H]([NH3+])C(=O)[O-])C1=O ZINC000019152753 182106104 /nfs/dbraw/zinc/10/61/04/182106104.db2.gz VENBUKGMIBBKTQ-VHSXEESVSA-N 0 0 302.396 0.839 50 0 DCAARN Cc1ccc(OC[C@H](O)CN2CCN(CCO)CC2)c(C)c1 ZINC000019372289 182120828 /nfs/dbraw/zinc/12/08/28/182120828.db2.gz RJZOHAQPXWWWKT-MRXNPFEDSA-N 0 0 308.422 0.653 50 0 DCAARN Cc1nonc1CC(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000020109890 182187919 /nfs/dbraw/zinc/18/79/19/182187919.db2.gz QVNJKXGMRBWUMG-AWEZNQCLSA-N 0 0 314.345 0.490 50 0 DCAARN O=C(NCCN1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000097654123 193743292 /nfs/dbraw/zinc/74/32/92/193743292.db2.gz CNRSHHUEBGJXKO-AWEZNQCLSA-N 0 0 322.430 0.990 50 0 DCAARN NC(=S)Cn1c(CN2CCOCC2)nc2ccccc2c1=O ZINC000020268267 182201722 /nfs/dbraw/zinc/20/17/22/182201722.db2.gz WVMXTQFZUUFLOZ-UHFFFAOYSA-N 0 0 318.402 0.515 50 0 DCAARN CN(C)C(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000020458486 182220104 /nfs/dbraw/zinc/22/01/04/182220104.db2.gz LJEHWEIWKAFWEM-UHFFFAOYSA-N 0 0 312.391 0.550 50 0 DCAARN COc1ccccc1O[C@H](C)C(=O)NCCN1CCOCC1 ZINC000020567965 182233350 /nfs/dbraw/zinc/23/33/50/182233350.db2.gz FYOYMUFQZXHXCY-CYBMUJFWSA-N 0 0 308.378 0.911 50 0 DCAARN Cc1c(C)n(CCO)c2ncnc(NCCN3CCOCC3)c12 ZINC000020567289 182233613 /nfs/dbraw/zinc/23/36/13/182233613.db2.gz MAUXXJFZYUXNFI-UHFFFAOYSA-N 0 0 319.409 0.785 50 0 DCAARN CCc1ccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000020489224 182223745 /nfs/dbraw/zinc/22/37/45/182223745.db2.gz RVOVVMVABIPGMR-UHFFFAOYSA-N 0 0 309.347 0.735 50 0 DCAARN O=C(NCCN1CCOCC1)C(=O)Nc1ccc(Cl)cn1 ZINC000020622782 182240208 /nfs/dbraw/zinc/24/02/08/182240208.db2.gz LAYKINWBKLDIHQ-UHFFFAOYSA-N 0 0 312.757 0.122 50 0 DCAARN CN(C)C(=O)N1CCN(Cc2cncn2C2CC2)C[C@@H](O)C1 ZINC000097716871 193750464 /nfs/dbraw/zinc/75/04/64/193750464.db2.gz KSPUZAQGWHSVDW-CQSZACIVSA-N 0 0 307.398 0.378 50 0 DCAARN Nc1nonc1C(=O)NCCNC(=O)/C=C/c1ccccc1 ZINC000020899730 182252738 /nfs/dbraw/zinc/25/27/38/182252738.db2.gz PGGDCNMMYKTKMG-VOTSOKGWSA-N 0 0 301.306 0.211 50 0 DCAARN COC(=O)[C@H](C)NC(=O)c1cc(-n2cnnn2)ccc1Cl ZINC000020732833 182244926 /nfs/dbraw/zinc/24/49/26/182244926.db2.gz WGVYTJVNDNAYLQ-ZETCQYMHSA-N 0 0 309.713 0.607 50 0 DCAARN COC(=O)c1sc2[nH]c(CN3CCOCC3)nc(=O)c2c1C ZINC000021822464 182294322 /nfs/dbraw/zinc/29/43/22/182294322.db2.gz QQECQENFNFEJCQ-UHFFFAOYSA-N 0 0 323.374 0.912 50 0 DCAARN COc1ccc(NC(=O)CN(C)S(C)(=O)=O)cc1OC ZINC000022606550 182327863 /nfs/dbraw/zinc/32/78/63/182327863.db2.gz GWEPMZIKNPHXHC-UHFFFAOYSA-N 0 0 302.352 0.534 50 0 DCAARN CC(C)(C)C(=O)NCC(=O)N1CCN(c2nccs2)CC1 ZINC000022699665 182331164 /nfs/dbraw/zinc/33/11/64/182331164.db2.gz ACEAWSVTQFJNSV-UHFFFAOYSA-N 0 0 310.423 0.954 50 0 DCAARN CC(C)C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)N1CCOCC1 ZINC000022969867 182344159 /nfs/dbraw/zinc/34/41/59/182344159.db2.gz QZHHEFIKPLOJSM-LBPRGKRZSA-N 0 0 308.382 0.659 50 0 DCAARN Cc1cc(O)ccc1NC(=O)C[C@H](C(=O)[O-])[NH+]1CCN(C)CC1 ZINC000022809364 182335944 /nfs/dbraw/zinc/33/59/44/182335944.db2.gz JDCZFYARDXIQHQ-CQSZACIVSA-N 0 0 321.377 0.730 50 0 DCAARN COc1ccc(C)cc1S(=O)(=O)N1CCN(CCO)CC1 ZINC000022893882 182339430 /nfs/dbraw/zinc/33/94/30/182339430.db2.gz IMVXWZQCKDSUOF-UHFFFAOYSA-N 0 0 314.407 0.302 50 0 DCAARN COCCNC(=O)CN1CCN(Cc2cccc(C)c2)CC1 ZINC000023304238 182356380 /nfs/dbraw/zinc/35/63/80/182356380.db2.gz JKZFWVOMDPFJJO-UHFFFAOYSA-N 0 0 305.422 0.875 50 0 DCAARN COCCNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 ZINC000023304078 182356632 /nfs/dbraw/zinc/35/66/32/182356632.db2.gz WCSMGOLZGOXWID-UHFFFAOYSA-N 0 0 305.422 0.875 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)NCc2ccccc2)CC1 ZINC000023053302 182346453 /nfs/dbraw/zinc/34/64/53/182346453.db2.gz CWVGGOPOGKDCHS-UHFFFAOYSA-N 0 0 311.407 0.910 50 0 DCAARN CN(C)c1nc(N)nc(Cn2nnc(-c3cccc(F)c3)n2)n1 ZINC000023105621 182347318 /nfs/dbraw/zinc/34/73/18/182347318.db2.gz SCMJOQRYGGZXIV-UHFFFAOYSA-N 0 0 315.316 0.361 50 0 DCAARN C[C@@H](c1ccc(F)c(F)c1)N(C)CC(=O)N1CCNC(=O)C1 ZINC000024250894 182377964 /nfs/dbraw/zinc/37/79/64/182377964.db2.gz QLIWECDKDKYZDU-JTQLQIEISA-N 0 0 311.332 0.916 50 0 DCAARN O=C(NCc1cccc(Cn2ccnc2)c1)[C@H]1COCCO1 ZINC000024753121 182390109 /nfs/dbraw/zinc/39/01/09/182390109.db2.gz MDSDNZQXHIGJLT-OAHLLOKOSA-N 0 0 301.346 0.963 50 0 DCAARN Cn1ncc2c1ncnc2NCc1cccc(S(N)(=O)=O)c1 ZINC000024658635 182385829 /nfs/dbraw/zinc/38/58/29/182385829.db2.gz RLTPXJWIZGXADH-UHFFFAOYSA-N 0 0 318.362 0.623 50 0 DCAARN CC(C)CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000026523098 182445268 /nfs/dbraw/zinc/44/52/68/182445268.db2.gz PREASVWKXRMWHB-UHFFFAOYSA-N 0 0 315.373 0.831 50 0 DCAARN C[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)[C@H]1CCCO1 ZINC000027883097 182494604 /nfs/dbraw/zinc/49/46/04/182494604.db2.gz ITEOZVTZWFZFFI-BXUZGUMPSA-N 0 0 316.361 0.865 50 0 DCAARN COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCOCC2)cc1 ZINC000029122914 182551905 /nfs/dbraw/zinc/55/19/05/182551905.db2.gz VHZJLARTPUHLTL-LBPRGKRZSA-N 0 0 306.362 0.810 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2ccco2)C[C@H](C)O1 ZINC000029188894 182555710 /nfs/dbraw/zinc/55/57/10/182555710.db2.gz AJYLMTQRJPDGDM-PHIMTYICSA-N 0 0 316.379 0.448 50 0 DCAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CC(N)=O)nc2C ZINC000036646276 182833562 /nfs/dbraw/zinc/83/35/62/182833562.db2.gz ZQGUYOGFWLHHSU-UHFFFAOYSA-N 0 0 311.345 0.993 50 0 DCAARN O=C(c1cc(OCc2ccccc2)ncn1)N1CCNC(=O)C1 ZINC000239612031 284616591 /nfs/dbraw/zinc/61/65/91/284616591.db2.gz FHYPHCLCDJGMEG-UHFFFAOYSA-N 0 0 312.329 0.628 50 0 DCAARN O[C@H]1C[C@H]2CC[C@@H](C1)N2c1ncc(F)c(N2CCOCC2)n1 ZINC000101897557 193847743 /nfs/dbraw/zinc/84/77/43/193847743.db2.gz INOHMIHEZPPEQT-GDNZZTSVSA-N 0 0 308.357 0.944 50 0 DCAARN COc1cccc(Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC000040159360 183041407 /nfs/dbraw/zinc/04/14/07/183041407.db2.gz NUIZGWZLFYVFRB-UHFFFAOYSA-N 0 0 300.318 0.491 50 0 DCAARN Cc1cccc(C(=O)N2CCCN(CC(=O)N(C)C)CC2)n1 ZINC000040092021 183033317 /nfs/dbraw/zinc/03/33/17/183033317.db2.gz WAAWIABDKJSKQF-UHFFFAOYSA-N 0 0 304.394 0.626 50 0 DCAARN NC(=O)c1ccccc1OCc1noc(C(=O)NCC2CC2)n1 ZINC000040288289 183052166 /nfs/dbraw/zinc/05/21/66/183052166.db2.gz ZLLQZTKHBDMILB-UHFFFAOYSA-N 0 0 316.317 0.887 50 0 DCAARN O=C(NCc1nnc2n1CCC2)[C@@H]1CC(=O)Nc2ccccc21 ZINC000040481098 183076535 /nfs/dbraw/zinc/07/65/35/183076535.db2.gz MSVNYIWBSCDUNF-LLVKDONJSA-N 0 0 311.345 0.967 50 0 DCAARN C[C@@H]1CN(C(=O)COc2ccc(S(C)(=O)=O)cc2)CCO1 ZINC000040479307 183076625 /nfs/dbraw/zinc/07/66/25/183076625.db2.gz YSVDDXPARXOBFY-LLVKDONJSA-N 0 0 313.375 0.716 50 0 DCAARN O=C(Cn1ccccc1=O)NCc1ccc(Cn2cncn2)cc1 ZINC000040489505 183078834 /nfs/dbraw/zinc/07/88/34/183078834.db2.gz BLKWOAHDBRMEPJ-UHFFFAOYSA-N 0 0 323.356 0.805 50 0 DCAARN C[C@@H](C(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccccc1 ZINC000040493652 183080581 /nfs/dbraw/zinc/08/05/81/183080581.db2.gz XJLMEOPJBKQHJN-NSHDSACASA-N 0 0 324.402 0.573 50 0 DCAARN Cc1cc(=O)n2ncnc2n1C[C@@H](O)COc1ccc(F)cc1 ZINC000040498027 183082912 /nfs/dbraw/zinc/08/29/12/183082912.db2.gz KYCQWFDPWOYAFN-GFCCVEGCSA-N 0 0 318.308 0.778 50 0 DCAARN C[C@@H]1CO[C@@H](C)CN1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000040501500 183083192 /nfs/dbraw/zinc/08/31/92/183083192.db2.gz VXAHUUUEDGPKPC-NEPJUHHUSA-N 0 0 314.407 0.822 50 0 DCAARN Cc1ccc(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)cc1C(N)=O ZINC000040511354 183087455 /nfs/dbraw/zinc/08/74/55/183087455.db2.gz WWHYOIVYPJRCLO-ZWNOBZJWSA-N 0 0 312.391 0.940 50 0 DCAARN CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000040521902 183090740 /nfs/dbraw/zinc/09/07/40/183090740.db2.gz ZCUKBUGPTLECRX-GFCCVEGCSA-N 0 0 310.375 0.489 50 0 DCAARN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000040540061 183096703 /nfs/dbraw/zinc/09/67/03/183096703.db2.gz XUZTWUQAAJGEIA-CQSZACIVSA-N 0 0 319.340 0.763 50 0 DCAARN CCNC(=O)CN(C)C(=O)CCn1cnc2ccccc2c1=O ZINC000040554192 183101284 /nfs/dbraw/zinc/10/12/84/183101284.db2.gz ANGNUNVEYRZGAK-UHFFFAOYSA-N 0 0 316.361 0.381 50 0 DCAARN Cc1nn(C)c2cnn([C@H](C)C(=O)NCC(=O)N3CCCC3)c12 ZINC000040714961 183122836 /nfs/dbraw/zinc/12/28/36/183122836.db2.gz VIHTYFRDEHQQCE-LLVKDONJSA-N 0 0 318.381 0.378 50 0 DCAARN COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H]1CCOC1 ZINC000041371301 183187625 /nfs/dbraw/zinc/18/76/25/183187625.db2.gz DHDCURXXQAWBHT-SECBINFHSA-N 0 0 314.363 0.109 50 0 DCAARN CN(CCCNC(=O)CC[C@@H]1NC(=O)NC1=O)c1ccccc1 ZINC000041945995 183225779 /nfs/dbraw/zinc/22/57/79/183225779.db2.gz RKKLLFWNBOFXOH-ZDUSSCGKSA-N 0 0 318.377 0.617 50 0 DCAARN CNC(=O)C1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1 ZINC000042005432 183228771 /nfs/dbraw/zinc/22/87/71/183228771.db2.gz RKMAWAFIGASTPO-UHFFFAOYSA-N 0 0 318.299 0.887 50 0 DCAARN Cc1ccc(C(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cn1 ZINC000042394268 183263091 /nfs/dbraw/zinc/26/30/91/183263091.db2.gz SNHPIGZEFRWENE-HOTGVXAUSA-N 0 0 319.405 0.857 50 0 DCAARN Cc1cccc(C(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)n1 ZINC000042394930 183263095 /nfs/dbraw/zinc/26/30/95/183263095.db2.gz YTJGJEVGDSNWBM-GDBMZVCRSA-N 0 0 319.405 0.857 50 0 DCAARN Cc1cccc(C(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)n1 ZINC000042394938 183263227 /nfs/dbraw/zinc/26/32/27/183263227.db2.gz YTJGJEVGDSNWBM-GOEBONIOSA-N 0 0 319.405 0.857 50 0 DCAARN Cc1noc(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)n1 ZINC000042703268 183298763 /nfs/dbraw/zinc/29/87/63/183298763.db2.gz ZZLVPGXVAUHUNQ-NSHDSACASA-N 0 0 314.305 0.437 50 0 DCAARN Cc1cc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)no1 ZINC000042723698 183301663 /nfs/dbraw/zinc/30/16/63/183301663.db2.gz PSRZZWZQGGHIBV-SNVBAGLBSA-N 0 0 301.368 0.527 50 0 DCAARN Cn1nc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)ccc1=O ZINC000043072327 183334322 /nfs/dbraw/zinc/33/43/22/183334322.db2.gz DRDJHDOEDXGDQZ-UHFFFAOYSA-N 0 0 321.358 0.114 50 0 DCAARN CC(=O)N[C@@H](C(=O)NC[C@@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000044722194 183435742 /nfs/dbraw/zinc/43/57/42/183435742.db2.gz AVZVDYMLVJZXSE-WCQYABFASA-N 0 0 316.423 0.232 50 0 DCAARN Cn1nc(C(=O)NCCc2cnn(-c3ccccc3)c2)ccc1=O ZINC000044895427 183451542 /nfs/dbraw/zinc/45/15/42/183451542.db2.gz FSIAULDGBVWIBE-UHFFFAOYSA-N 0 0 323.356 0.939 50 0 DCAARN CN(CC(N)=O)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000045744693 183527060 /nfs/dbraw/zinc/52/70/60/183527060.db2.gz XFVRESSMUCFJDH-UHFFFAOYSA-N 0 0 312.269 0.691 50 0 DCAARN CNC(=O)[C@@H]1CCCCN1C(=O)CCn1c(C)csc1=O ZINC000048273452 183636067 /nfs/dbraw/zinc/63/60/67/183636067.db2.gz XAHTXUDJVFWZQH-NSHDSACASA-N 0 0 311.407 0.735 50 0 DCAARN CC(C)CN1CCO[C@H](CNS(=O)(=O)C[C@H]2CCOC2)C1 ZINC000106790856 194253831 /nfs/dbraw/zinc/25/38/31/194253831.db2.gz OCRJMGAGSXRBDS-UONOGXRCSA-N 0 0 320.455 0.299 50 0 DCAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCO[C@@H]3CCC[C@@H]32)C1=O ZINC000053383490 183900508 /nfs/dbraw/zinc/90/05/08/183900508.db2.gz WDRKNYQGSFSMCR-HWWQOWPSSA-N 0 0 321.377 0.487 50 0 DCAARN COC(=O)CNC(=O)CCN1c2ccccc2C(C)(C)C1=O ZINC000057355676 184035622 /nfs/dbraw/zinc/03/56/22/184035622.db2.gz BQZLNDRDPPCSEH-UHFFFAOYSA-N 0 0 304.346 0.990 50 0 DCAARN C[C@@H]1Cc2ccccc2N1C(=O)CN[C@@H]1C=CS(=O)(=O)C1 ZINC000058163976 184083323 /nfs/dbraw/zinc/08/33/23/184083323.db2.gz SZUWOVFFWVTLJS-DGCLKSJQSA-N 0 0 306.387 0.865 50 0 DCAARN COC(=O)c1ccccc1S(=O)(=O)N1CCN(C2CC2)CC1 ZINC000058181164 184085450 /nfs/dbraw/zinc/08/54/50/184085450.db2.gz NYEZYMXFMJVERC-UHFFFAOYSA-N 0 0 324.402 0.942 50 0 DCAARN CCN(C(=O)c1cc2c(c(Cl)c1)OCO2)[C@@H]1CC(=O)NC1=O ZINC000058244852 184093692 /nfs/dbraw/zinc/09/36/92/184093692.db2.gz QJCJYYLRLDGZGW-SECBINFHSA-N 0 0 324.720 0.946 50 0 DCAARN CC[C@@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000058282047 184099494 /nfs/dbraw/zinc/09/94/94/184099494.db2.gz VCDUEOJISWTRMG-SECBINFHSA-N 0 0 306.409 0.672 50 0 DCAARN CS(=O)(=O)c1nc(C(=O)NCc2cc[nH]n2)c2ccccn21 ZINC000058295643 184101929 /nfs/dbraw/zinc/10/19/29/184101929.db2.gz MDNRKZXRFSNXKI-UHFFFAOYSA-N 0 0 319.346 0.391 50 0 DCAARN CCOC(=O)c1cc(C(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000058316970 184104531 /nfs/dbraw/zinc/10/45/31/184104531.db2.gz JMCRZLQLPYXBCU-UHFFFAOYSA-N 0 0 305.334 0.932 50 0 DCAARN COCCOc1ncccc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000058323453 184105197 /nfs/dbraw/zinc/10/51/97/184105197.db2.gz SQMXSNGYRCAPMT-LBPRGKRZSA-N 0 0 309.366 0.167 50 0 DCAARN C[C@@H](NC(=O)C1=Cc2ccccc2OC1)C(=O)N1CCOCC1 ZINC000058417971 184115479 /nfs/dbraw/zinc/11/54/79/184115479.db2.gz BYJSXKGJQYEJGP-GFCCVEGCSA-N 0 0 316.357 0.826 50 0 DCAARN NC(=O)CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O ZINC000060361679 184147035 /nfs/dbraw/zinc/14/70/35/184147035.db2.gz KZOZOEAZJGFCOY-LLVKDONJSA-N 0 0 301.224 0.481 50 0 DCAARN CN1CCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1 ZINC000060976776 184158947 /nfs/dbraw/zinc/15/89/47/184158947.db2.gz CGNYZNGWEDIGCA-UHFFFAOYSA-N 0 0 314.389 0.939 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(-n2cccn2)c1 ZINC000065395927 184335252 /nfs/dbraw/zinc/33/52/52/184335252.db2.gz LSLINIIFRVBCGN-KGLIPLIRSA-N 0 0 315.329 0.621 50 0 DCAARN CCN(CC)C(=O)[C@@H]1CCCN(CC(=O)Nc2cnccn2)C1 ZINC000065382809 184332816 /nfs/dbraw/zinc/33/28/16/184332816.db2.gz GLKUBGQINBIRLP-CYBMUJFWSA-N 0 0 319.409 0.996 50 0 DCAARN CN1CCCn2nc(C(=O)NC[C@@H](O)c3cccnc3)cc2C1 ZINC000065407158 184338822 /nfs/dbraw/zinc/33/88/22/184338822.db2.gz JZIGYZSDUSITSJ-OAHLLOKOSA-N 0 0 315.377 0.577 50 0 DCAARN O=C(Nc1n[nH]c(C(F)(F)F)n1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000065434093 184343961 /nfs/dbraw/zinc/34/39/61/184343961.db2.gz VUUOOSVZSOSMRK-YFKPBYRVSA-N 0 0 303.244 0.773 50 0 DCAARN COc1ccccc1CNC(=O)CN1C[C@H](O)[C@@H](OC(C)C)C1 ZINC000065432735 184344025 /nfs/dbraw/zinc/34/40/25/184344025.db2.gz XQIGJDCVNSHUJD-HOCLYGCPSA-N 0 0 322.405 0.782 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCc1cc[nH]n1 ZINC000065440299 184345546 /nfs/dbraw/zinc/34/55/46/184345546.db2.gz DBYSMDQRDGUYRQ-NSHDSACASA-N 0 0 315.399 0.023 50 0 DCAARN Cc1noc(C)c1CN(C)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000065449079 184346182 /nfs/dbraw/zinc/34/61/82/184346182.db2.gz SVYACBVYJHLNKB-UHFFFAOYSA-N 0 0 306.326 0.637 50 0 DCAARN Cc1nc(C)n(CCNC(=O)Cn2c3ccccc3oc2=O)n1 ZINC000065463351 184349642 /nfs/dbraw/zinc/34/96/42/184349642.db2.gz RNZOZHQXFOHWAH-UHFFFAOYSA-N 0 0 315.333 0.619 50 0 DCAARN COC(=O)C1=NO[C@H](C(=O)Nc2ccc3c(c2)CCC(=O)N3)C1 ZINC000065490897 184353430 /nfs/dbraw/zinc/35/34/30/184353430.db2.gz VCMUEVAWOPCDNM-LBPRGKRZSA-N 0 0 317.301 0.828 50 0 DCAARN CCn1c(=O)[nH]nc1C1CCN(C(=O)CCN2CCCO2)CC1 ZINC000065490979 184353866 /nfs/dbraw/zinc/35/38/66/184353866.db2.gz MNUDAXMABHHKSC-UHFFFAOYSA-N 0 0 323.397 0.325 50 0 DCAARN Cc1ccc(S(=O)(=O)CC(=O)N2CCNC(=O)C2)cc1C ZINC000065396369 184335351 /nfs/dbraw/zinc/33/53/51/184335351.db2.gz GKTPGIABGCNUKL-UHFFFAOYSA-N 0 0 310.375 0.036 50 0 DCAARN O=C1NC(=O)c2cc(S(=O)(=O)NCc3cccnc3)ccc21 ZINC000065584785 184368638 /nfs/dbraw/zinc/36/86/38/184368638.db2.gz WIHHWIBPSRCDDS-UHFFFAOYSA-N 0 0 317.326 0.444 50 0 DCAARN CNC(=O)CCN(C)C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000065518497 184358483 /nfs/dbraw/zinc/35/84/83/184358483.db2.gz DWHLMQAPYOOULA-UHFFFAOYSA-N 0 0 317.345 0.267 50 0 DCAARN O=C(CCNC(=O)Cn1nnc2ccccc21)Nc1cccnc1 ZINC000066098818 184389075 /nfs/dbraw/zinc/38/90/75/184389075.db2.gz JYXJWQRTMMEDHJ-UHFFFAOYSA-N 0 0 324.344 0.971 50 0 DCAARN O=C(NC[C@H](O)CO)c1cc(COc2cccc(F)c2)n[nH]1 ZINC000067674126 184477729 /nfs/dbraw/zinc/47/77/29/184477729.db2.gz NCICABKPRYALJI-NSHDSACASA-N 0 0 309.297 0.211 50 0 DCAARN NC(=O)[C@@H](c1ccccc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000069414783 184512779 /nfs/dbraw/zinc/51/27/79/184512779.db2.gz AHHQUFRTRAUACO-LSDHHAIUSA-N 0 0 300.362 0.811 50 0 DCAARN O[C@H](CN1CCOCC1)CN1CCc2c(ncn2C2CC2)C1 ZINC000069464621 184517875 /nfs/dbraw/zinc/51/78/75/184517875.db2.gz XHXBGPTXZYDNAH-CQSZACIVSA-N 0 0 306.410 0.269 50 0 DCAARN O=C1CNC(=O)N1CCN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000075609390 296338706 /nfs/dbraw/zinc/33/87/06/296338706.db2.gz UFCMTJMEKRPSRK-ZDUSSCGKSA-N 0 0 307.325 0.751 50 0 DCAARN O=S1(=O)C[C@@H]2NC(=S)N(CCc3ccc(F)cc3)[C@H]2C1 ZINC000009341313 285073461 /nfs/dbraw/zinc/07/34/61/285073461.db2.gz UKYNTADNGSLVPI-RYUDHWBXSA-N 0 0 314.407 0.724 50 0 DCAARN CCCn1cnc2c1c(=O)n(C[C@H](O)C(F)(F)F)c(=O)n2C ZINC000158174982 197250710 /nfs/dbraw/zinc/25/07/10/197250710.db2.gz BOFXMLMFHISCRU-ZETCQYMHSA-N 0 0 320.271 0.230 50 0 DCAARN CC(=O)N1CCN([C@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000036308199 256532589 /nfs/dbraw/zinc/53/25/89/256532589.db2.gz SDPBIROGPWJYDZ-GFCCVEGCSA-N 0 0 324.425 0.698 50 0 DCAARN CCN(C(=O)c1ccc2c(c1)OCCCO2)[C@H]1CC(=O)NC1=O ZINC000085994083 256547907 /nfs/dbraw/zinc/54/79/07/256547907.db2.gz IBGNVSJTVLTCGZ-NSHDSACASA-N 0 0 318.329 0.725 50 0 DCAARN O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1COCCN1 ZINC000237907176 256600072 /nfs/dbraw/zinc/60/00/72/256600072.db2.gz MWJDTMOFEJSKCQ-RYUDHWBXSA-N 0 0 323.780 0.550 50 0 DCAARN CC[C@H](C(=O)NC1CCCC1)N1CCN(c2nc[nH]n2)CC1 ZINC000244691726 256604644 /nfs/dbraw/zinc/60/46/44/256604644.db2.gz JICVCAZDTRQKKC-CYBMUJFWSA-N 0 0 306.414 0.764 50 0 DCAARN CO[C@@H](C)CS(=O)(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000249466996 256610232 /nfs/dbraw/zinc/61/02/32/256610232.db2.gz GYDQOTRWWFVVRP-CMPLNLGQSA-N 0 0 317.411 0.997 50 0 DCAARN CCn1c(SCCC(=O)OC)nc2c1c(=O)[nH]c(=O)n2C ZINC000016839504 257217811 /nfs/dbraw/zinc/21/78/11/257217811.db2.gz UEWPGLAVKXFKAK-UHFFFAOYSA-N 0 0 312.351 0.098 50 0 DCAARN C[C@@H](C(=O)NCCc1noc(C2CCC2)n1)N1CCN(C)CC1 ZINC000426689052 257244514 /nfs/dbraw/zinc/24/45/14/257244514.db2.gz BOJDNJLJMZEQDY-LBPRGKRZSA-N 0 0 321.425 0.632 50 0 DCAARN CN1CCN(CC(=O)N[C@@H]2CC(=O)Nc3ccccc32)C1=O ZINC000426612571 257245245 /nfs/dbraw/zinc/24/52/45/257245245.db2.gz HHDZFMDLUWIEEO-GFCCVEGCSA-N 0 0 302.334 0.554 50 0 DCAARN Cc1nc(CCNC(=O)[C@@H]2COC(=O)N2)nc2c1CCCC2 ZINC000426620268 257245258 /nfs/dbraw/zinc/24/52/58/257245258.db2.gz PTAXMEKBTMSFQN-LBPRGKRZSA-N 0 0 304.350 0.431 50 0 DCAARN CCc1noc([C@@H](C)NC(=O)N2CCN(CCOC)CC2)n1 ZINC000426612479 257245296 /nfs/dbraw/zinc/24/52/96/257245296.db2.gz DDZQYTAUVSXMDO-LLVKDONJSA-N 0 0 311.386 0.667 50 0 DCAARN Cc1ccc(CN2CCn3nc(CNS(C)(=O)=O)cc3C2)o1 ZINC000426548397 257246918 /nfs/dbraw/zinc/24/69/18/257246918.db2.gz BXQRWNHCZBAFLF-UHFFFAOYSA-N 0 0 324.406 0.850 50 0 DCAARN CCCc1noc(CN(C)C(=O)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000426521223 257247388 /nfs/dbraw/zinc/24/73/88/257247388.db2.gz LKCJGNYENRTTEN-SECBINFHSA-N 0 0 301.368 0.415 50 0 DCAARN COCCn1cnnc1CNC(=O)N(C)[C@@H](C)c1ccncn1 ZINC000426512296 257247839 /nfs/dbraw/zinc/24/78/39/257247839.db2.gz QISWVTFLCUXKRY-NSHDSACASA-N 0 0 319.369 0.617 50 0 DCAARN Cc1nc(CNC(=O)N2CCC[C@@H]2C(N)=O)nc2c1CCCC2 ZINC000426498470 257248159 /nfs/dbraw/zinc/24/81/59/257248159.db2.gz IUKNOBOCCJZGOB-CYBMUJFWSA-N 0 0 317.393 0.823 50 0 DCAARN CCOCCN1CCN(C(=O)c2cn(C)c(C)cc2=O)CC1 ZINC000426484810 257249177 /nfs/dbraw/zinc/24/91/77/257249177.db2.gz OOTKMHSKQOAMTL-UHFFFAOYSA-N 0 0 307.394 0.488 50 0 DCAARN CCn1cc(CNC(=O)N(C)Cc2nc(CCOC)no2)cn1 ZINC000426489551 257249655 /nfs/dbraw/zinc/24/96/55/257249655.db2.gz NGVPLLWPCFDHKW-UHFFFAOYSA-N 0 0 322.369 0.817 50 0 DCAARN CN1C[C@H](C(=O)NCCc2noc(C(F)(F)F)n2)CCC1=O ZINC000426406012 257251442 /nfs/dbraw/zinc/25/14/42/257251442.db2.gz BLXYLSVOEBRVOW-SSDOTTSWSA-N 0 0 320.271 0.616 50 0 DCAARN Cc1ccn2c(c1)nc(C(=O)NC[C@@H]1CN(C)C(=O)CO1)c2F ZINC000426386830 257252282 /nfs/dbraw/zinc/25/22/82/257252282.db2.gz AONNBIWQFIHPEO-SNVBAGLBSA-N 0 0 320.324 0.369 50 0 DCAARN CC(C)c1nnc([C@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)o1 ZINC000426359620 257253253 /nfs/dbraw/zinc/25/32/53/257253253.db2.gz LLEKJISAWHMFJX-QMMMGPOBSA-N 0 0 307.310 0.333 50 0 DCAARN NC(=O)[C@@H]1CCCN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000257365211 257257269 /nfs/dbraw/zinc/25/72/69/257257269.db2.gz OEJNSUZEJFEMML-NEPJUHHUSA-N 0 0 305.382 0.139 50 0 DCAARN O[C@@H](CN1CCN(C[C@H](O)C(F)(F)F)CC1)C(F)(F)F ZINC000020218997 257269005 /nfs/dbraw/zinc/26/90/05/257269005.db2.gz RKHWNUJKWCLCQP-YUMQZZPRSA-N 0 0 310.238 0.450 50 0 DCAARN COc1ncccc1C(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000071841711 184866318 /nfs/dbraw/zinc/86/63/18/184866318.db2.gz IVPMZNQASNHYOJ-LLVKDONJSA-N 0 0 304.350 0.720 50 0 DCAARN CNC(=O)c1ccc(C(=O)N2CCC[C@H]2Cn2cccn2)cn1 ZINC000071866819 184876077 /nfs/dbraw/zinc/87/60/77/184876077.db2.gz RFUQSVPUTWCHSJ-ZDUSSCGKSA-N 0 0 313.361 0.943 50 0 DCAARN O=C(COC(=O)C1=COCCO1)N1CC(=O)Nc2ccccc21 ZINC000004195287 134458889 /nfs/dbraw/zinc/45/88/89/134458889.db2.gz UCMPZZYMCSWTKC-UHFFFAOYSA-N 0 0 318.285 0.403 50 0 DCAARN CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)OC)cc1 ZINC000008395251 395684561 /nfs/dbraw/zinc/68/45/61/395684561.db2.gz DEUPLWXOFNJUJZ-UHFFFAOYSA-N 0 0 314.363 0.278 50 0 DCAARN Cc1ccc(N(C)S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008844140 395685001 /nfs/dbraw/zinc/68/50/01/395685001.db2.gz SJNNCLYPEVQGDG-LBPRGKRZSA-N 0 0 303.405 0.948 50 0 DCAARN CN1c2ccccc2[C@@H](NC(=O)C(=O)NN2CCCCC2)C1=O ZINC000009340126 395685315 /nfs/dbraw/zinc/68/53/15/395685315.db2.gz GMNLVWICKCUWGK-CYBMUJFWSA-N 0 0 316.361 0.337 50 0 DCAARN CC(C)(C)NC(=O)NC(=O)CN1C(=O)CC2(CCCC2)C1=O ZINC000009992282 395685737 /nfs/dbraw/zinc/68/57/37/395685737.db2.gz CDKZIMVVRCADJN-UHFFFAOYSA-N 0 0 309.366 0.930 50 0 DCAARN O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)C1CC1 ZINC000010704888 395686148 /nfs/dbraw/zinc/68/61/48/395686148.db2.gz FKSPXEGZDYNVQW-UHFFFAOYSA-N 0 0 308.403 0.901 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)CCO1 ZINC000010907506 395686327 /nfs/dbraw/zinc/68/63/27/395686327.db2.gz AYKUHGVDHDEKLR-SECBINFHSA-N 0 0 315.167 0.858 50 0 DCAARN Cn1c(COC(=O)c2n[nH]c3ccccc32)cc(=O)n(C)c1=O ZINC000011205304 395686422 /nfs/dbraw/zinc/68/64/22/395686422.db2.gz YCTQYHNUAWEWLN-UHFFFAOYSA-N 0 0 314.301 0.317 50 0 DCAARN CCCn1c(C(=O)NC(C)(C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000011845262 395686885 /nfs/dbraw/zinc/68/68/85/395686885.db2.gz HXOOFAJYMIYSFP-UHFFFAOYSA-N 0 0 320.393 0.977 50 0 DCAARN COCCNC(=O)CNS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000012896483 395688221 /nfs/dbraw/zinc/68/82/21/395688221.db2.gz PRTCWUSQANUCLQ-UHFFFAOYSA-N 0 0 324.402 0.656 50 0 DCAARN C[C@@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(N)=O ZINC000012972704 395688330 /nfs/dbraw/zinc/68/83/30/395688330.db2.gz BWLBLKONDRPUHY-LLVKDONJSA-N 0 0 317.345 0.820 50 0 DCAARN CCn1nnc2c1ncn(CC(=O)Nc1cccc(F)c1)c2=O ZINC000013531390 395688522 /nfs/dbraw/zinc/68/85/22/395688522.db2.gz WVOFDVGDSZCACS-UHFFFAOYSA-N 0 0 316.296 0.786 50 0 DCAARN CCn1nnc2c1ncnc2SCC(=O)N1CCOCC1 ZINC000013532044 395688659 /nfs/dbraw/zinc/68/86/59/395688659.db2.gz AQSQGWBPPKSMJP-UHFFFAOYSA-N 0 0 308.367 0.192 50 0 DCAARN Cn1c2nc3n(c2c(=O)[nH]c1=O)CCN3c1ccc(F)cc1 ZINC000013541005 395688660 /nfs/dbraw/zinc/68/86/60/395688660.db2.gz BGHWJYAVAYWFFM-UHFFFAOYSA-N 0 0 301.281 0.714 50 0 DCAARN c1ccc(-n2nnnc2N2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000014014670 395689018 /nfs/dbraw/zinc/68/90/18/395689018.db2.gz DVSFYIBCKWFLJW-HNNXBMFYSA-N 0 0 314.393 0.963 50 0 DCAARN O=C(c1ccc[nH]c1=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000014054294 395689075 /nfs/dbraw/zinc/68/90/75/395689075.db2.gz FETHCVWPVUDCOG-LBPRGKRZSA-N 0 0 319.361 0.086 50 0 DCAARN CCN1CCN(C(=O)C[C@@H]2CSc3nc(C)cc(=O)n32)CC1 ZINC000014031440 395689078 /nfs/dbraw/zinc/68/90/78/395689078.db2.gz XXKXTQZUAUQNCL-GFCCVEGCSA-N 0 0 322.434 0.753 50 0 DCAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NC[C@H]1CCCO1 ZINC000014115094 395689138 /nfs/dbraw/zinc/68/91/38/395689138.db2.gz FXDBEUKCPYESCK-GFCCVEGCSA-N 0 0 321.308 0.938 50 0 DCAARN C[C@H]1CCCN(C(=O)Cn2nnn(-c3cccs3)c2=O)C1 ZINC000014075992 395689143 /nfs/dbraw/zinc/68/91/43/395689143.db2.gz QHJWQWZYRBICBL-JTQLQIEISA-N 0 0 307.379 0.749 50 0 DCAARN Cc1ccc(CN2CCN3C(=O)[C@H](C)NC(=O)[C@H]3C2)c(C)c1 ZINC000014755720 395689693 /nfs/dbraw/zinc/68/96/93/395689693.db2.gz RYEUAWMFZRFBDY-DZGCQCFKSA-N 0 0 301.390 0.835 50 0 DCAARN Cn1c2ccc(C(=O)NCc3ccccn3)cc2c(=O)n(C)c1=O ZINC000015109151 395689774 /nfs/dbraw/zinc/68/97/74/395689774.db2.gz LQHJFYYDDWWAOG-UHFFFAOYSA-N 0 0 324.340 0.562 50 0 DCAARN COc1c2c(cc([C@@H]3ON=C(C(N)=O)[C@H]3C)c1OC)OCO2 ZINC000015082579 395689824 /nfs/dbraw/zinc/68/98/24/395689824.db2.gz UUGPYRTYBNIBAR-LHLIQPBNSA-N 0 0 308.290 0.981 50 0 DCAARN COc1cc(N2CCC(n3cc([C@@H](C)O)nn3)CC2)ncn1 ZINC000023144979 395692275 /nfs/dbraw/zinc/69/22/75/395692275.db2.gz VDUJNCNTRKHLHP-SNVBAGLBSA-N 0 0 304.354 0.972 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccccc3C)C(=O)[C@]2(C)NN1 ZINC000000174480 395679922 /nfs/dbraw/zinc/67/99/22/395679922.db2.gz HHUDOYVDEPXEQL-MEBBXXQBSA-N 0 0 301.302 0.375 50 0 DCAARN COC(=O)CSc1nnnn1-c1ccc(C(=O)OC)cc1 ZINC000000306797 395680193 /nfs/dbraw/zinc/68/01/93/395680193.db2.gz FPMZKSVQDXCIAY-UHFFFAOYSA-N 0 0 308.319 0.714 50 0 DCAARN CC(=O)Nc1nnc(SCC(=O)NC[C@@H]2CCCO2)s1 ZINC000000308219 395680224 /nfs/dbraw/zinc/68/02/24/395680224.db2.gz JENKGRCPWNRCGO-QMMMGPOBSA-N 0 0 316.408 0.884 50 0 DCAARN COC(=O)c1nnn(CC(=O)Nc2ccccc2)c1C(=O)OC ZINC000000428809 395680416 /nfs/dbraw/zinc/68/04/16/395680416.db2.gz LXYKOSNKHCSEKW-UHFFFAOYSA-N 0 0 318.289 0.490 50 0 DCAARN CN(c1ccccc1C(=O)NC[C@H]1CCCO1)S(C)(=O)=O ZINC000000609662 395680517 /nfs/dbraw/zinc/68/05/17/395680517.db2.gz LYFUSHRRVVHJMK-LLVKDONJSA-N 0 0 312.391 0.991 50 0 DCAARN CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O ZINC000001577044 395681014 /nfs/dbraw/zinc/68/10/14/395681014.db2.gz OUHCZCFQVONTOC-UHFFFAOYSA-N 0 0 304.295 0.225 50 0 DCAARN CC1=C(C(N)=O)[C@@H](c2ccncc2)N2NC(CCCO)=NC2=N1 ZINC000001795299 395681128 /nfs/dbraw/zinc/68/11/28/395681128.db2.gz XDOUQDBPOYWTHF-CYBMUJFWSA-N 0 0 314.349 0.243 50 0 DCAARN Nc1nonc1C(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC000002500772 395681502 /nfs/dbraw/zinc/68/15/02/395681502.db2.gz VHTPDAWISSQYLZ-UHFFFAOYSA-N 0 0 309.713 0.465 50 0 DCAARN NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCCC2)cc1 ZINC000002445722 395681519 /nfs/dbraw/zinc/68/15/19/395681519.db2.gz UMQCRTSJTQWNGO-UHFFFAOYSA-N 0 0 311.363 0.285 50 0 DCAARN Cn1c(N)c(C(=O)COc2cccc(F)c2)c(=O)n(C)c1=O ZINC000002638248 395681683 /nfs/dbraw/zinc/68/16/83/395681683.db2.gz GKYQIOWMBRYMMU-UHFFFAOYSA-N 0 0 307.281 0.067 50 0 DCAARN CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)[NH3+])C(C)C)C(=O)[O-] ZINC000002572102 395681689 /nfs/dbraw/zinc/68/16/89/395681689.db2.gz RFJNDTQGEJRBHO-DCAQKATOSA-N 0 0 301.387 0.090 50 0 DCAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2NC(=O)NC2=O)cc1 ZINC000002699279 395681849 /nfs/dbraw/zinc/68/18/49/395681849.db2.gz QSFKZQNADNMALI-SNVBAGLBSA-N 0 0 305.290 0.400 50 0 DCAARN Cc1nn(C)cc1CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000002808022 395681898 /nfs/dbraw/zinc/68/18/98/395681898.db2.gz MDQJXOOIUWYING-NSHDSACASA-N 0 0 314.411 0.016 50 0 DCAARN CS(=O)(=O)N1CCc2cc(C(=O)N3CCOCC3)ccc21 ZINC000003017554 395682121 /nfs/dbraw/zinc/68/21/21/395682121.db2.gz BZBPHGWJXMQXQH-UHFFFAOYSA-N 0 0 310.375 0.481 50 0 DCAARN COc1cccc(CCC(=O)NC2CCN(CC(N)=O)CC2)c1 ZINC000025539653 395693635 /nfs/dbraw/zinc/69/36/35/395693635.db2.gz KFQUAOWFEIUWLS-UHFFFAOYSA-N 0 0 319.405 0.694 50 0 DCAARN CCNC(=O)CNC(=O)CCNC(=O)c1ccc(Cl)cc1 ZINC000008094384 395684022 /nfs/dbraw/zinc/68/40/22/395684022.db2.gz XIGUWNFYMIUVKC-UHFFFAOYSA-N 0 0 311.769 0.712 50 0 DCAARN O=C(N1CCOC[C@@H]1CO)C1(c2ccccc2)CCOCC1 ZINC000085469676 395700895 /nfs/dbraw/zinc/70/08/95/395700895.db2.gz JNFOURUUHNPRCN-HNNXBMFYSA-N 0 0 305.374 0.955 50 0 DCAARN CN1C[C@@H](C(=O)N2CCC(Oc3ncccn3)CC2)CC1=O ZINC000085557120 395701640 /nfs/dbraw/zinc/70/16/40/395701640.db2.gz OGTPNEUUSZFFOZ-NSHDSACASA-N 0 0 304.350 0.325 50 0 DCAARN Cn1c(=O)n(CC(=O)NCc2ccco2)nc1C(F)(F)F ZINC000085470741 395701673 /nfs/dbraw/zinc/70/16/73/395701673.db2.gz CFBNJQPKLKTCRM-UHFFFAOYSA-N 0 0 304.228 0.510 50 0 DCAARN CCN(CC(=O)NC)S(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000030436469 395702338 /nfs/dbraw/zinc/70/23/38/395702338.db2.gz DURRPDNKQVVVEK-UHFFFAOYSA-N 0 0 314.363 0.230 50 0 DCAARN CCN(CC(=O)NC)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000030435965 395702380 /nfs/dbraw/zinc/70/23/80/395702380.db2.gz SNVCSZOADWFWKR-UHFFFAOYSA-N 0 0 304.343 0.591 50 0 DCAARN CCOC(=O)N1CCC[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000030805316 395704388 /nfs/dbraw/zinc/70/43/88/395704388.db2.gz UGNYTACDRJBNHI-QWRGUYRKSA-N 0 0 318.395 0.158 50 0 DCAARN CC[C@@H](C)NC(=O)CSc1[nH]c(=O)nc(C)c1C(=O)OC ZINC000031618157 395707129 /nfs/dbraw/zinc/70/71/29/395707129.db2.gz BGAHZXJCHVTCFL-SSDOTTSWSA-N 0 0 313.379 0.872 50 0 DCAARN Cc1cnc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cn1 ZINC000031941303 395708573 /nfs/dbraw/zinc/70/85/73/395708573.db2.gz MWMFBCBBYUNGHO-HNNXBMFYSA-N 0 0 322.434 0.723 50 0 DCAARN CC[C@@](C)(CNC(=O)[C@@H](NC(C)=O)C(C)C)N1CCOCC1 ZINC000031930650 395708667 /nfs/dbraw/zinc/70/86/67/395708667.db2.gz LDXKMBRTAGNHLZ-HOCLYGCPSA-N 0 0 313.442 0.764 50 0 DCAARN CN(CC(=O)N1CCC[C@H](c2cn[nH]c2)C1)S(C)(=O)=O ZINC000089335393 395709750 /nfs/dbraw/zinc/70/97/50/395709750.db2.gz ZJJVDCAQRJVZTN-JTQLQIEISA-N 0 0 300.384 0.007 50 0 DCAARN CCc1noc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)n1 ZINC000089295466 395710023 /nfs/dbraw/zinc/71/00/23/395710023.db2.gz MTYXRKFIXFDYNO-UHFFFAOYSA-N 0 0 323.316 0.971 50 0 DCAARN O=C(NCCN1CCOCC1)c1ccc(Cn2cccn2)cc1 ZINC000032501842 395711067 /nfs/dbraw/zinc/71/10/67/395711067.db2.gz PTNOGHKTTOCMDW-UHFFFAOYSA-N 0 0 314.389 0.993 50 0 DCAARN CNC(=O)NC(=O)CN1CCN(C(=O)CC2CCCC2)CC1 ZINC000036813547 395724225 /nfs/dbraw/zinc/72/42/25/395724225.db2.gz TUCFKNQECSLOHG-UHFFFAOYSA-N 0 0 310.398 0.167 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](O)Cc1ccccc1 ZINC000089512380 395712516 /nfs/dbraw/zinc/71/25/16/395712516.db2.gz SIIVILJDFMISOF-AWEZNQCLSA-N 0 0 323.418 0.919 50 0 DCAARN CCNC(=O)CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000032759687 395712870 /nfs/dbraw/zinc/71/28/70/395712870.db2.gz XNOLMNXTDMHGNY-LLVKDONJSA-N 0 0 323.418 0.853 50 0 DCAARN Cc1ccccc1CN1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000089689355 395714037 /nfs/dbraw/zinc/71/40/37/395714037.db2.gz IKQOZDQCEXODOO-AWEZNQCLSA-N 0 0 302.378 0.321 50 0 DCAARN CC(C)c1noc(CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1 ZINC000032905032 395714336 /nfs/dbraw/zinc/71/43/36/395714336.db2.gz WQLPLAJEAOYNCM-LBPRGKRZSA-N 0 0 321.425 0.978 50 0 DCAARN CCc1nc(CS(=O)(=O)[C@H](C)C(=O)NCCOC)cs1 ZINC000032929959 395714684 /nfs/dbraw/zinc/71/46/84/395714684.db2.gz JIMKTODVOQVQRI-SECBINFHSA-N 0 0 320.436 0.771 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)CSC(F)(F)F)CC1 ZINC000032963526 395715083 /nfs/dbraw/zinc/71/50/83/395715083.db2.gz NSMIDDLTKMTJKP-UHFFFAOYSA-N 0 0 320.358 0.780 50 0 DCAARN CCN(Cc1cccc(F)c1)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000032946941 395715270 /nfs/dbraw/zinc/71/52/70/395715270.db2.gz MGQWQYKYDRZKDK-UHFFFAOYSA-N 0 0 319.336 0.735 50 0 DCAARN COCc1cc(N2CCNC(=O)[C@@H]2C(C)C)n2ncnc2n1 ZINC000089801962 395715396 /nfs/dbraw/zinc/71/53/96/395715396.db2.gz UBOKEOGQDICYAH-LBPRGKRZSA-N 0 0 304.354 0.232 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)NCc1ccnc(N(C)C)c1 ZINC000089900536 395716225 /nfs/dbraw/zinc/71/62/25/395716225.db2.gz ZSMGPWVJUZEJSH-CYBMUJFWSA-N 0 0 321.425 0.668 50 0 DCAARN COC(=O)CNC(=O)N[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000033127742 395716488 /nfs/dbraw/zinc/71/64/88/395716488.db2.gz KDQAFNSOFMDLOU-JTQLQIEISA-N 0 0 305.334 0.436 50 0 DCAARN NC(=O)CCN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000033782533 395717462 /nfs/dbraw/zinc/71/74/62/395717462.db2.gz HYELSROIZDFATA-QPEQYQDCSA-N 0 0 323.418 0.480 50 0 DCAARN CCOC(=O)CC(=O)COCCN1C(=O)c2ccccc2C1=O ZINC000033981448 395717690 /nfs/dbraw/zinc/71/76/90/395717690.db2.gz RIGKLAOKQFKWNN-UHFFFAOYSA-N 0 0 319.313 0.822 50 0 DCAARN O=C(CNC(=O)[C@@H]1Cc2ccccc2CN1)NCc1ccco1 ZINC000035378024 395720057 /nfs/dbraw/zinc/72/00/57/395720057.db2.gz NBFGOOSKXBAJRF-HNNXBMFYSA-N 0 0 313.357 0.727 50 0 DCAARN CN1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000035354107 395720427 /nfs/dbraw/zinc/72/04/27/395720427.db2.gz SQMRKIBZXDTLTG-UHFFFAOYSA-N 0 0 323.418 0.750 50 0 DCAARN CCn1c(=O)c(C(=O)NC(C)C)nn(-c2cccc(C)c2)c1=O ZINC000036086917 395721977 /nfs/dbraw/zinc/72/19/77/395721977.db2.gz CSUOKTCUDZNNGA-UHFFFAOYSA-N 0 0 316.361 0.861 50 0 DCAARN CC(=O)N1CCN(CC(=O)N2CCc3ccccc3C2)CC1 ZINC000036021653 395722013 /nfs/dbraw/zinc/72/20/13/395722013.db2.gz MSOFUVWWPSNZEJ-UHFFFAOYSA-N 0 0 301.390 0.735 50 0 DCAARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000035877339 395722016 /nfs/dbraw/zinc/72/20/16/395722016.db2.gz HVAIXBHLSPWCFS-UHFFFAOYSA-N 0 0 323.418 0.971 50 0 DCAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N1CCSCC1 ZINC000036594870 395723383 /nfs/dbraw/zinc/72/33/83/395723383.db2.gz PEFXANOCTRTDKT-GFCCVEGCSA-N 0 0 319.386 0.703 50 0 DCAARN C[C@H](OC(=O)CCNC(N)=O)C(=O)N1CCCc2ccccc21 ZINC000026412089 395694336 /nfs/dbraw/zinc/69/43/36/395694336.db2.gz HTLNMIFFRHIMDD-NSHDSACASA-N 0 0 319.361 0.956 50 0 DCAARN C[C@@H]1CN(CC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)CO1 ZINC000027647438 395695275 /nfs/dbraw/zinc/69/52/75/395695275.db2.gz JNQIWOPHFMZZIY-UONOGXRCSA-N 0 0 319.409 0.234 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccn(C)n1 ZINC000028497299 395696043 /nfs/dbraw/zinc/69/60/43/395696043.db2.gz MKPSHTXXDPIBIQ-SNVBAGLBSA-N 0 0 300.384 0.563 50 0 DCAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)C(N)=O)c1 ZINC000028851517 395696461 /nfs/dbraw/zinc/69/64/61/395696461.db2.gz SQNRGDHYCIRVDY-SSDOTTSWSA-N 0 0 307.306 0.634 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000029201454 395697160 /nfs/dbraw/zinc/69/71/60/395697160.db2.gz DAZAXQHFINJUNW-JTQLQIEISA-N 0 0 312.395 0.441 50 0 DCAARN COc1ncccc1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000029200549 395697312 /nfs/dbraw/zinc/69/73/12/395697312.db2.gz FJFDRSOBJZWXJL-SNVBAGLBSA-N 0 0 313.379 0.244 50 0 DCAARN CCn1cc(C(=O)[O-])c(=O)c2ccc(N3CC[NH2+]CC3)nc21 ZINC000029345454 395697562 /nfs/dbraw/zinc/69/75/62/395697562.db2.gz VWOHDTYQWAUQPW-UHFFFAOYSA-N 0 0 302.334 0.524 50 0 DCAARN CNC(=O)CN(C)S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000029335056 395697673 /nfs/dbraw/zinc/69/76/73/395697673.db2.gz IYQNFAOBJQMPKB-UHFFFAOYSA-N 0 0 307.375 0.910 50 0 DCAARN CCN(C[C@H]1CN(Cc2nccn2C)CCO1)c1cccnn1 ZINC000084774691 395699327 /nfs/dbraw/zinc/69/93/27/395699327.db2.gz NSWPNBJYGSNQHY-CQSZACIVSA-N 0 0 316.409 0.937 50 0 DCAARN CCN(CC)C(=O)c1ccc(N2CCN(CCO)CC2)nc1 ZINC000039217166 395732552 /nfs/dbraw/zinc/73/25/52/395732552.db2.gz CZGIUUOYWUCOHS-UHFFFAOYSA-N 0 0 306.410 0.678 50 0 DCAARN CCOC(=O)C(=O)Nc1cccc(NC(=O)C(=O)OCC)c1 ZINC000037638273 395728583 /nfs/dbraw/zinc/72/85/83/395728583.db2.gz AQKHQRNEHINGEQ-UHFFFAOYSA-N 0 0 308.290 0.690 50 0 DCAARN Cn1cnc(S(=O)(=O)N[C@@H]2CCCCNC2=O)c1Cl ZINC000037989549 395730300 /nfs/dbraw/zinc/73/03/00/395730300.db2.gz KVMDRMFAMCZVME-SSDOTTSWSA-N 0 0 306.775 0.021 50 0 DCAARN C[C@H](CN1CCOCC1)NS(=O)(=O)c1ncn(C)c1Cl ZINC000037990611 395730508 /nfs/dbraw/zinc/73/05/08/395730508.db2.gz HNRFERZWSJUCFQ-SECBINFHSA-N 0 0 322.818 0.073 50 0 DCAARN O=C(NCCCn1cccn1)c1cccnc1N1CCOCC1 ZINC000040504650 395734194 /nfs/dbraw/zinc/73/41/94/395734194.db2.gz BBZQBYLJUBGAGD-UHFFFAOYSA-N 0 0 315.377 0.935 50 0 DCAARN CCc1nnc([C@@H]2CN(CC(=O)NC[C@@H]3CCCO3)CCO2)[nH]1 ZINC000095402433 395740597 /nfs/dbraw/zinc/74/05/97/395740597.db2.gz XBSPJVDFWVMMQH-RYUDHWBXSA-N 0 0 323.397 0.036 50 0 DCAARN Cc1nsc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000096098490 395744280 /nfs/dbraw/zinc/74/42/80/395744280.db2.gz SUJSRJZHWOBZCA-JTQLQIEISA-N 0 0 310.379 0.310 50 0 DCAARN NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)cc2)C1 ZINC000096139858 395746177 /nfs/dbraw/zinc/74/61/77/395746177.db2.gz SQQYFZPZCFBOPP-NSHDSACASA-N 0 0 314.349 0.997 50 0 DCAARN CCNC(=O)[C@@H]1C[C@H](NC(=O)CCOC)CN1Cc1ccco1 ZINC000096138583 395746324 /nfs/dbraw/zinc/74/63/24/395746324.db2.gz PFUXZLVQVDBUAT-JSGCOSHPSA-N 0 0 323.393 0.511 50 0 DCAARN CCOC(=O)[C@H](N)CS[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000097466811 395758156 /nfs/dbraw/zinc/75/81/56/395758156.db2.gz PUEJXRMYHGJBIJ-VXGBXAGGSA-N 0 0 322.386 0.942 50 0 DCAARN C[C@H]1C[C@@H]1C(=O)N1CCN(CC(=O)Nc2ccncc2)CC1 ZINC000096443481 395753138 /nfs/dbraw/zinc/75/31/38/395753138.db2.gz HDPSLRGLKFZSJT-JSGCOSHPSA-N 0 0 302.378 0.820 50 0 DCAARN Cc1n[nH]c(C)c1NC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC000096441467 395753205 /nfs/dbraw/zinc/75/32/05/395753205.db2.gz SEMLPPBECDWGQT-MFKMUULPSA-N 0 0 319.409 0.765 50 0 DCAARN Cn1cc([C@@](C)(O)CNC(=O)[C@H]2Cc3cc(F)ccc3O2)cn1 ZINC000096437413 395753364 /nfs/dbraw/zinc/75/33/64/395753364.db2.gz BLORXBKFDBNSCX-ZBFHGGJFSA-N 0 0 319.336 0.887 50 0 DCAARN Cc1noc(CNC(=O)N2CCN(Cc3ccccn3)CC2)n1 ZINC000097163464 395755278 /nfs/dbraw/zinc/75/52/78/395755278.db2.gz RTNDZFMLDLGXEC-UHFFFAOYSA-N 0 0 316.365 0.800 50 0 DCAARN COc1ncnc2c1CN(CC(=O)NCc1ccco1)CC2 ZINC000097201945 395756047 /nfs/dbraw/zinc/75/60/47/395756047.db2.gz DJLRPFLTRXWDIX-UHFFFAOYSA-N 0 0 302.334 0.753 50 0 DCAARN O=C(CSc1cn[nH]n1)N1CCN(c2ncccn2)CC1 ZINC000097227686 395756698 /nfs/dbraw/zinc/75/66/98/395756698.db2.gz QPVKLMUKYRLLHP-UHFFFAOYSA-N 0 0 305.367 0.036 50 0 DCAARN CC(C)c1ncc(C(=O)NCCN(C)S(C)(=O)=O)cn1 ZINC000097294872 395757099 /nfs/dbraw/zinc/75/70/99/395757099.db2.gz CUGWQYRJZKQHFG-UHFFFAOYSA-N 0 0 300.384 0.221 50 0 DCAARN C[C@H](O)CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000097403803 395757695 /nfs/dbraw/zinc/75/76/95/395757695.db2.gz WMEVKFJYSLQLFF-JTQLQIEISA-N 0 0 307.325 0.801 50 0 DCAARN COCCNC(=O)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000096221636 395750284 /nfs/dbraw/zinc/75/02/84/395750284.db2.gz JQDUZSUHVQORDJ-LBPRGKRZSA-N 0 0 305.334 0.260 50 0 biogenic DCAARN Cc1csc(=O)n1CCC(=O)N[C@H](C)CN1CCOCC1 ZINC000046888818 395781873 /nfs/dbraw/zinc/78/18/73/395781873.db2.gz AVWFRAHTBRZSIG-LLVKDONJSA-N 0 0 313.423 0.445 50 0 DCAARN CS(=O)(=O)NCCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000108128414 395786311 /nfs/dbraw/zinc/78/63/11/395786311.db2.gz WKVMRGDVTBQZAA-MFKMUULPSA-N 0 0 320.361 0.622 50 0 DCAARN O=C(c1ccn2nnnc2c1)N(CCO)Cc1nccs1 ZINC000097505575 395758533 /nfs/dbraw/zinc/75/85/33/395758533.db2.gz KYGKEENDJOQVEF-UHFFFAOYSA-N 0 0 304.335 0.216 50 0 DCAARN O=C(CCc1ccncc1)N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000097551245 395758556 /nfs/dbraw/zinc/75/85/56/395758556.db2.gz XSFMOUHVJVQVSF-HNNXBMFYSA-N 0 0 317.389 0.864 50 0 DCAARN C[C@@]1(O)CCN(C(=O)c2ccc3[nH]c(CO)nc3c2)C[C@@H]1O ZINC000097717327 395760218 /nfs/dbraw/zinc/76/02/18/395760218.db2.gz ONUUMGCBPMWGEZ-SWLSCSKDSA-N 0 0 305.334 0.013 50 0 DCAARN Cn1c2cncnc2n([C@@H]2CCN(C(=O)c3ccco3)C2)c1=O ZINC000097940717 395761353 /nfs/dbraw/zinc/76/13/53/395761353.db2.gz NIPUKWLGKRNPBT-SNVBAGLBSA-N 0 0 313.317 0.810 50 0 DCAARN Cn1cc(N2CCN(C[C@@H](O)c3ccccc3)CC2=O)cn1 ZINC000098018780 395761404 /nfs/dbraw/zinc/76/14/04/395761404.db2.gz WFZWGGDIDNYUAK-OAHLLOKOSA-N 0 0 300.362 0.802 50 0 DCAARN COc1ccccc1CNC(=O)CN1CCS(=O)(=O)CC1 ZINC000045858556 395767339 /nfs/dbraw/zinc/76/73/39/395767339.db2.gz UZPFDOWLJSWZQC-UHFFFAOYSA-N 0 0 312.391 0.042 50 0 DCAARN C[C@@H](NC(N)=O)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000046700342 395779281 /nfs/dbraw/zinc/77/92/81/395779281.db2.gz NUKCHJMYBWHISP-LLVKDONJSA-N 0 0 301.350 0.604 50 0 DCAARN COc1ccccc1CC(=O)NCC1(C(N)=O)CCOCC1 ZINC000047931319 395803176 /nfs/dbraw/zinc/80/31/76/395803176.db2.gz WXKDURQBFOKLCM-UHFFFAOYSA-N 0 0 306.362 0.636 50 0 DCAARN Cn1c(=O)ccn(CC(=O)N2CCC[C@@H]2c2cccs2)c1=O ZINC000048128710 395808545 /nfs/dbraw/zinc/80/85/45/395808545.db2.gz ZMAAAEQNQLMLFE-LLVKDONJSA-N 0 0 319.386 0.972 50 0 DCAARN O=C(NCc1ccc(N2CCCC2)nc1)[C@H]1CCC(=O)NC1 ZINC000048125249 395808941 /nfs/dbraw/zinc/80/89/41/395808941.db2.gz ZUAABILQZDJROR-ZDUSSCGKSA-N 0 0 302.378 0.824 50 0 DCAARN CCN1C[C@H](C(=O)NCc2cccnc2-n2cccn2)CC1=O ZINC000048168475 395809974 /nfs/dbraw/zinc/80/99/74/395809974.db2.gz SITYUCQWNSSBSQ-CYBMUJFWSA-N 0 0 313.361 0.752 50 0 DCAARN CCn1ncc(NC(=O)Cn2ccc(-c3nccnc3C)n2)n1 ZINC000048187725 395810113 /nfs/dbraw/zinc/81/01/13/395810113.db2.gz GGWIKGMSXRTGHN-UHFFFAOYSA-N 0 0 312.337 0.899 50 0 DCAARN CC(C)N1CCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000048286970 395812179 /nfs/dbraw/zinc/81/21/79/395812179.db2.gz UQXBREUOCLSWNU-LBPRGKRZSA-N 0 0 303.428 0.157 50 0 DCAARN C[C@@H]1CCCN(S(=O)(=O)N2CCC(CC(N)=O)CC2)C1 ZINC000048670950 395822166 /nfs/dbraw/zinc/82/21/66/395822166.db2.gz BXTVMKDDWZSMMO-LLVKDONJSA-N 0 0 303.428 0.551 50 0 DCAARN Cc1noc(CNC(=O)c2nnn(-c3nccs3)c2C)n1 ZINC000049032438 395826723 /nfs/dbraw/zinc/82/67/23/395826723.db2.gz ZDKULCXZOOXBMM-UHFFFAOYSA-N 0 0 305.323 0.654 50 0 DCAARN Cn1cccc(C(=O)N2CCC[C@H](Oc3cccnn3)C2)c1=O ZINC000225451695 395860601 /nfs/dbraw/zinc/86/06/01/395860601.db2.gz DOQUWXXUCBPOFQ-LBPRGKRZSA-N 0 0 314.345 0.859 50 0 DCAARN Cc1ccc(C)c(CC(=O)N2CCN3C(=O)CNC(=O)[C@@H]3C2)c1 ZINC000219791815 395846362 /nfs/dbraw/zinc/84/63/62/395846362.db2.gz QCOSQHNMIYVHHD-AWEZNQCLSA-N 0 0 315.373 0.015 50 0 DCAARN Cn1nnnc1SCCNC(=O)[C@H]1Cc2ccccc2O1 ZINC000220473924 395848518 /nfs/dbraw/zinc/84/85/18/395848518.db2.gz ODOCTNWDZHZODN-LLVKDONJSA-N 0 0 305.363 0.422 50 0 DCAARN Cn1nnnc1SCCNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000220473854 395848804 /nfs/dbraw/zinc/84/88/04/395848804.db2.gz ODOCTNWDZHZODN-NSHDSACASA-N 0 0 305.363 0.422 50 0 DCAARN C[N@@H+]1C[C@@H](NC(=O)COc2ccc(Cl)cc2)C[C@H]1C(=O)[O-] ZINC000220691253 395849532 /nfs/dbraw/zinc/84/95/32/395849532.db2.gz MRBIWVCGBRWPGT-JQWIXIFHSA-N 0 0 312.753 0.992 50 0 DCAARN O=C(Cc1ccccc1Cl)N1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000225482102 395860960 /nfs/dbraw/zinc/86/09/60/395860960.db2.gz PDFQHUZGQOJUEF-OLZOCXBDSA-N 0 0 308.765 0.998 50 0 DCAARN COCCn1cnnc1CCNC(=O)Cc1cccc(O)c1 ZINC000221253728 395850125 /nfs/dbraw/zinc/85/01/25/395850125.db2.gz BBQRFDZXLUCFQJ-UHFFFAOYSA-N 0 0 304.350 0.532 50 0 DCAARN CCCN1C[C@H](NC(=O)c2ccc(N(C)CCO)cc2)CC1=O ZINC000221212067 395850569 /nfs/dbraw/zinc/85/05/69/395850569.db2.gz HWYKKMPLFWOONS-CQSZACIVSA-N 0 0 319.405 0.856 50 0 DCAARN CN(CC(=O)N(C)CC1(CO)CCOCC1)Cc1ccccn1 ZINC000222406527 395852887 /nfs/dbraw/zinc/85/28/87/395852887.db2.gz ZXXIMVZRQOBEDG-UHFFFAOYSA-N 0 0 321.421 0.761 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1OCCO)c1cccc2nccnc21 ZINC000223041669 395853209 /nfs/dbraw/zinc/85/32/09/395853209.db2.gz FSEMXPTUDZKBBY-TZMCWYRMSA-N 0 0 317.345 0.526 50 0 DCAARN O=C(NCCCc1ncc[nH]1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000222813940 395853262 /nfs/dbraw/zinc/85/32/62/395853262.db2.gz TXGJKJGOTXFQCT-UHFFFAOYSA-N 0 0 313.317 0.302 50 0 DCAARN O=C(N[C@H]1C[C@@H](c2cc(=O)[nH]c(C3CC3)n2)C1)N1CCOCC1 ZINC000223652239 395855503 /nfs/dbraw/zinc/85/55/03/395855503.db2.gz NOFPWOBQFUMBLW-HAQNSBGRSA-N 0 0 318.377 0.935 50 0 DCAARN Cn1cc([C@H](NC(=O)C(=O)c2cccnc2)C2CC(O)C2)cn1 ZINC000223772515 395856808 /nfs/dbraw/zinc/85/68/08/395856808.db2.gz CGBXTNIJZICMPZ-UXUKBGGZSA-N 0 0 314.345 0.626 50 0 DCAARN CC(C)Cc1cc(C(=O)NCc2nnc(N)s2)[nH]c(=O)n1 ZINC000223924318 395857562 /nfs/dbraw/zinc/85/75/62/395857562.db2.gz ZLZXTBSBHMVUEP-UHFFFAOYSA-N 0 0 308.367 0.332 50 0 DCAARN Cn1cc(-c2nc(C(=O)OCC(=O)NC3CC3)cs2)cn1 ZINC000053912799 395890845 /nfs/dbraw/zinc/89/08/45/395890845.db2.gz YRUUWTLIQXPCBT-UHFFFAOYSA-N 0 0 306.347 0.979 50 0 DCAARN C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CCO1 ZINC000054214901 395895373 /nfs/dbraw/zinc/89/53/73/395895373.db2.gz NKYNVLSVKAIGEG-OCCSQVGLSA-N 0 0 301.350 0.704 50 0 DCAARN CN(CCOc1cccc(F)c1)CN1C(=O)C(=O)N(C)C1=O ZINC000054549674 395902515 /nfs/dbraw/zinc/90/25/15/395902515.db2.gz AMTDONRKXUIZFE-UHFFFAOYSA-N 0 0 309.297 0.514 50 0 DCAARN Cn1cc(CCC(=O)N2CCN(c3ncccn3)CC2)cn1 ZINC000054799494 395906041 /nfs/dbraw/zinc/90/60/41/395906041.db2.gz GUEXNFPXXGLHBB-UHFFFAOYSA-N 0 0 300.366 0.492 50 0 DCAARN CCc1nc(CN(C)C(=O)CSc2nnc(N)s2)no1 ZINC000055254312 395914643 /nfs/dbraw/zinc/91/46/43/395914643.db2.gz SWGGUIAACHWJHC-UHFFFAOYSA-N 0 0 314.396 0.816 50 0 DCAARN COc1ccc(C(=O)NCCNC(=O)c2cnns2)cc1 ZINC000055567172 395920297 /nfs/dbraw/zinc/92/02/97/395920297.db2.gz VIRSNRMQPYUNJF-UHFFFAOYSA-N 0 0 306.347 0.707 50 0 DCAARN O=C(CN1CCNCC1=O)N1CCO[C@@H](c2cccs2)C1 ZINC000238084168 395921301 /nfs/dbraw/zinc/92/13/01/395921301.db2.gz BVHWSXUTXHHENL-LLVKDONJSA-N 0 0 309.391 0.080 50 0 DCAARN O=C(NCCn1nnc2ccc(F)cc2c1=O)[C@@H]1CCCO1 ZINC000238868189 395923147 /nfs/dbraw/zinc/92/31/47/395923147.db2.gz MGLPOJFITGMDHX-LBPRGKRZSA-N 0 0 306.297 0.226 50 0 DCAARN COCCOc1cc(C(=O)NC[C@@H](O)c2ccccn2)ccn1 ZINC000244975119 395927002 /nfs/dbraw/zinc/92/70/02/395927002.db2.gz ICGSVQVRNCUVHC-CQSZACIVSA-N 0 0 317.345 0.965 50 0 DCAARN Cc1cc(COCC(=O)N2CCN(Cc3ccon3)CC2)on1 ZINC000225763028 395863106 /nfs/dbraw/zinc/86/31/06/395863106.db2.gz AUUQKBSZXCMMKE-UHFFFAOYSA-N 0 0 320.349 0.832 50 0 DCAARN COc1nccnc1O[C@@H]1CCN(C(=O)c2snnc2C)C1 ZINC000225807861 395863619 /nfs/dbraw/zinc/86/36/19/395863619.db2.gz PFLKNTADIUFQGJ-SECBINFHSA-N 0 0 321.362 0.939 50 0 DCAARN C[C@@H](CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1)Cn1cccn1 ZINC000225801042 395863937 /nfs/dbraw/zinc/86/39/37/395863937.db2.gz JNBSXZMEOZEVEL-VIFPVBQESA-N 0 0 300.322 0.514 50 0 DCAARN COCCCN(CCOC)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000052834043 395871320 /nfs/dbraw/zinc/87/13/20/395871320.db2.gz CRDZWUCCAVPRLP-UHFFFAOYSA-N 0 0 309.370 0.142 50 0 DCAARN COC(=O)CC1CCN(Cc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000052863920 395872232 /nfs/dbraw/zinc/87/22/32/395872232.db2.gz OAJLSOPFZKLQNJ-UHFFFAOYSA-N 0 0 319.365 0.844 50 0 DCAARN Cc1ncc(CN(C)[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)s1 ZINC000229268484 395873731 /nfs/dbraw/zinc/87/37/31/395873731.db2.gz OZSKXULPROJVOQ-ZYHUDNBSSA-N 0 0 324.450 0.996 50 0 DCAARN C[C@](O)(CN1CCO[C@@H](Cn2cncn2)C1)c1ccccc1 ZINC000229499745 395874811 /nfs/dbraw/zinc/87/48/11/395874811.db2.gz DVDMNTXGLFFSEQ-CVEARBPZSA-N 0 0 302.378 0.887 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)N1CC[C@H]1c1ccccc1 ZINC000053085369 395876330 /nfs/dbraw/zinc/87/63/30/395876330.db2.gz OQGBWNOLYHMPKT-AWEZNQCLSA-N 0 0 308.403 0.690 50 0 DCAARN CCc1nnc([C@H]2CN([C@@H](C(N)=O)c3ccccc3)CCO2)[nH]1 ZINC000229826166 395876360 /nfs/dbraw/zinc/87/63/60/395876360.db2.gz QKAMOTJNXWQWOD-TZMCWYRMSA-N 0 0 315.377 0.967 50 0 DCAARN CC[C@@H](C)[C@H](CO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000230202768 395879475 /nfs/dbraw/zinc/87/94/75/395879475.db2.gz IDBVGXPJOLAWAL-MFKMUULPSA-N 0 0 319.361 0.213 50 0 biogenic DCAARN Cn1ccc(C(=O)NC[C@H](O)COc2cccc(F)c2)cc1=O ZINC000056673054 395932446 /nfs/dbraw/zinc/93/24/46/395932446.db2.gz FRWTVYKKGCXJIX-ZDUSSCGKSA-N 0 0 320.320 0.694 50 0 DCAARN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCCOC)C1 ZINC000057824146 395948595 /nfs/dbraw/zinc/94/85/95/395948595.db2.gz NLXDTNCGEMNIMD-CQSZACIVSA-N 0 0 319.361 0.947 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)N1CCN(c2cccc(OC)c2)CC1 ZINC000057958576 395950201 /nfs/dbraw/zinc/95/02/01/395950201.db2.gz HSSNNHAUFCUCJV-GFCCVEGCSA-N 0 0 320.393 0.661 50 0 DCAARN CN(C)C(=O)C1CCN(c2cncc(-n3cccn3)n2)CC1 ZINC000059373643 395958983 /nfs/dbraw/zinc/95/89/83/395958983.db2.gz REAWUAWRYYBIEF-UHFFFAOYSA-N 0 0 300.366 0.967 50 0 DCAARN Cc1c2sc(C(=O)NCc3ccncc3)cn2c(=O)[nH]c1=O ZINC000148769033 395968608 /nfs/dbraw/zinc/96/86/08/395968608.db2.gz FUVIXPOJUIPFSE-UHFFFAOYSA-N 0 0 316.342 0.683 50 0 DCAARN Cc1ccnc(C[C@H](C)N(C)C(=O)c2cc(=O)[nH]c(=O)[nH]2)c1 ZINC000063868720 395983365 /nfs/dbraw/zinc/98/33/65/395983365.db2.gz AIJMVECTSQSVHU-JTQLQIEISA-N 0 0 302.334 0.882 50 0 DCAARN Cc1nnc(SCCCNC(=O)CS(C)(=O)=O)s1 ZINC000063844519 395983657 /nfs/dbraw/zinc/98/36/57/395983657.db2.gz MNNDSXNRROJCRV-UHFFFAOYSA-N 0 0 309.438 0.490 50 0 DCAARN Cc1ccnc(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)n1 ZINC000065001090 395990736 /nfs/dbraw/zinc/99/07/36/395990736.db2.gz PVAADFQOQPVXOK-AWEZNQCLSA-N 0 0 303.410 0.775 50 0 DCAARN CCOc1nccnc1N1CC[C@H](NC(=O)c2cnccn2)C1 ZINC000065268763 395992447 /nfs/dbraw/zinc/99/24/47/395992447.db2.gz JZUUVBKQPGXGBC-NSHDSACASA-N 0 0 314.349 0.674 50 0 DCAARN COc1ccnc(N2CCN(C(=O)c3cnn(C)c3)CC2)n1 ZINC000065500668 395994482 /nfs/dbraw/zinc/99/44/82/395994482.db2.gz KOWJXQGEZBMSDF-UHFFFAOYSA-N 0 0 302.338 0.181 50 0 DCAARN CC(C)C(=O)N[C@H]1CCCN(C[C@H]2CCS(=O)(=O)C2)C1 ZINC000252537113 396023310 /nfs/dbraw/zinc/02/33/10/396023310.db2.gz KIHLXILUPKFJIB-OLZOCXBDSA-N 0 0 302.440 0.658 50 0 DCAARN COCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000253392007 396026319 /nfs/dbraw/zinc/02/63/19/396026319.db2.gz YIZCOHRMZDCRAS-UONOGXRCSA-N 0 0 306.362 0.582 50 0 DCAARN CCc1ncnc(O[C@H]2CCN(C(=O)c3cn(C)nn3)C2)c1F ZINC000253472404 396029430 /nfs/dbraw/zinc/02/94/30/396029430.db2.gz MAXBXRFAYYIFQR-VIFPVBQESA-N 0 0 320.328 0.600 50 0 DCAARN Cn1cc([C@@H](NC(=O)c2cccc(=O)[nH]2)[C@H]2C[C@@H](O)C2)cn1 ZINC000253535149 396029580 /nfs/dbraw/zinc/02/95/80/396029580.db2.gz DTKGVRFZZGHCFC-PXWWUCIGSA-N 0 0 302.334 0.763 50 0 DCAARN Cn1ccsc1=NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000254614614 396032214 /nfs/dbraw/zinc/03/22/14/396032214.db2.gz QFFMDCWGXPXIAQ-NXEZZACHSA-N 0 0 307.375 0.689 50 0 DCAARN Cc1nn(C)cc1C(=O)N1CCC(OCc2ncon2)CC1 ZINC000257176745 396034005 /nfs/dbraw/zinc/03/40/05/396034005.db2.gz UPHXRSGALWFYSV-UHFFFAOYSA-N 0 0 305.338 0.933 50 0 DCAARN O=C(N[C@@H]1CN(c2ncccn2)C[C@H]1CO)c1ccc(F)cn1 ZINC000257188626 396035355 /nfs/dbraw/zinc/03/53/55/396035355.db2.gz FXGMTKXSNGCTOT-GXFFZTMASA-N 0 0 317.324 0.238 50 0 DCAARN COC[C@@H]1CN(C(=O)C2=NNC(=O)CC2)C[C@H]1c1ccccn1 ZINC000257194094 396035870 /nfs/dbraw/zinc/03/58/70/396035870.db2.gz SNHMWJYVFLMQGZ-NWDGAFQWSA-N 0 0 316.361 0.536 50 0 DCAARN O=C(NCC1(Cn2ccnc2)CC1)c1ccc2c(c1)no[n+]2[O-] ZINC000067855231 396036069 /nfs/dbraw/zinc/03/60/69/396036069.db2.gz MYHSDTBNKDUDIJ-UHFFFAOYSA-N 0 0 313.317 0.868 50 0 DCAARN COc1ccc(-n2ccnc2CN2CC[C@]([NH3+])(C(=O)[O-])C2)cc1 ZINC000067879701 396038297 /nfs/dbraw/zinc/03/82/97/396038297.db2.gz DVTVXQZUJZLWPI-MRXNPFEDSA-N 0 0 316.361 0.869 50 0 DCAARN CCOC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000260212156 396046581 /nfs/dbraw/zinc/04/65/81/396046581.db2.gz DBIUDLBCUURGTH-SNVBAGLBSA-N 0 0 321.395 0.974 50 0 DCAARN COCCN1C[C@H](NC(=O)c2ccc3nccn3c2)CC1=O ZINC000252491995 396020684 /nfs/dbraw/zinc/02/06/84/396020684.db2.gz MAUHKYXIHCQKLY-GFCCVEGCSA-N 0 0 302.334 0.311 50 0 DCAARN COCCN1C[C@@H](Cc2nc(C)c(C)cc2C(N)=O)CC1=O ZINC000252489016 396021002 /nfs/dbraw/zinc/02/10/02/396021002.db2.gz JDQXFQYULUQWEX-LBPRGKRZSA-N 0 0 305.378 0.835 50 0 DCAARN Cc1cc(CNC(=O)CN2CCN(C[C@@H](C)O)CC2)ccc1F ZINC000069652424 396086280 /nfs/dbraw/zinc/08/62/80/396086280.db2.gz CCILTQVBLSYDCZ-CQSZACIVSA-N 0 0 323.412 0.749 50 0 DCAARN Cc1noc(CCNC(=O)NCC(=O)NCc2ccccc2)n1 ZINC000069658821 396086314 /nfs/dbraw/zinc/08/63/14/396086314.db2.gz RJNCVWGCBCDPNA-UHFFFAOYSA-N 0 0 317.349 0.536 50 0 DCAARN COC[C@@H](C)S(=O)(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000069699304 396087103 /nfs/dbraw/zinc/08/71/03/396087103.db2.gz BBQOAYKTLMUJTJ-CHWSQXEVSA-N 0 0 308.444 0.298 50 0 DCAARN NC(=O)CN1CCC[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC000069697795 396087128 /nfs/dbraw/zinc/08/71/28/396087128.db2.gz RRMHPAGFFOUVFA-CQSZACIVSA-N 0 0 301.390 0.784 50 0 DCAARN CCC[C@H](NC(N)=O)C(=O)N(C)CC(=O)Nc1cc(C)ccn1 ZINC000069701978 396087714 /nfs/dbraw/zinc/08/77/14/396087714.db2.gz AAMLNZODLURPHH-NSHDSACASA-N 0 0 321.381 0.624 50 0 DCAARN C[C@@H](Cn1cncn1)NS(=O)(=O)c1cccc(F)c1F ZINC000069737931 396088571 /nfs/dbraw/zinc/08/85/71/396088571.db2.gz DDCNBBXLIAGGNZ-QMMMGPOBSA-N 0 0 302.306 0.923 50 0 DCAARN COCCN1CC[C@H](N2CCN(C(=O)C3CCCC3)CC2)C1=O ZINC000169750517 396091174 /nfs/dbraw/zinc/09/11/74/396091174.db2.gz GWVMORNPTCXLQG-HNNXBMFYSA-N 0 0 323.437 0.568 50 0 DCAARN O=C(Cc1ccccc1Cl)N1CCc2n[nH]c(=O)n2CC1 ZINC000169783062 396091810 /nfs/dbraw/zinc/09/18/10/396091810.db2.gz WNWMPOOYVDMCEK-UHFFFAOYSA-N 0 0 306.753 0.852 50 0 DCAARN O[C@H](CN1CCO[C@H](Cn2cncn2)C1)c1ccccc1F ZINC000069840726 396092204 /nfs/dbraw/zinc/09/22/04/396092204.db2.gz IHULNDNOFACIOP-SWLSCSKDSA-N 0 0 306.341 0.852 50 0 DCAARN CCN1CCN(C2CCN(CCCS(C)(=O)=O)CC2)C1=O ZINC000069848450 396092393 /nfs/dbraw/zinc/09/23/93/396092393.db2.gz IWXVYGALAKYRAY-UHFFFAOYSA-N 0 0 317.455 0.643 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](n2c(=O)n(C)c3cccnc32)C1 ZINC000169786144 396092637 /nfs/dbraw/zinc/09/26/37/396092637.db2.gz QIAUGMUYQXMSPI-NSHDSACASA-N 0 0 324.406 0.722 50 0 DCAARN FC(F)(F)c1ccnc(N2CCO[C@H](Cn3cncn3)C2)n1 ZINC000069879966 396094024 /nfs/dbraw/zinc/09/40/24/396094024.db2.gz YSBBSXZAYUYNME-VIFPVBQESA-N 0 0 314.271 0.992 50 0 DCAARN Cc1oncc1CSc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000170602839 396095109 /nfs/dbraw/zinc/09/51/09/396095109.db2.gz BZQJAVWKWLARKL-UHFFFAOYSA-N 0 0 307.335 0.549 50 0 DCAARN O=C(NCCCc1nc(=O)[nH][nH]1)c1nc2cccnc2s1 ZINC000170615532 396096395 /nfs/dbraw/zinc/09/63/95/396096395.db2.gz GDUXGQXYFDZTPT-UHFFFAOYSA-N 0 0 304.335 0.465 50 0 DCAARN CS(=O)(=O)CCN1CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000070005603 396097198 /nfs/dbraw/zinc/09/71/98/396097198.db2.gz OAEOJJAMBCKMBQ-ZDUSSCGKSA-N 0 0 300.424 0.532 50 0 DCAARN CC(=O)N1CCN(C(=O)CN2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000069971408 396097284 /nfs/dbraw/zinc/09/72/84/396097284.db2.gz VSFIWJDRZYCGAX-HNNXBMFYSA-N 0 0 319.409 0.248 50 0 DCAARN C[C@@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)N1CCCC[C@@H]1C ZINC000070036578 396098452 /nfs/dbraw/zinc/09/84/52/396098452.db2.gz CGCPPHUVTWRSNV-NWDGAFQWSA-N 0 0 323.393 0.431 50 0 DCAARN O=C(NC[C@@H](O)Cc1ccccc1)C(=O)NCC(F)(F)F ZINC000070639400 396102938 /nfs/dbraw/zinc/10/29/38/396102938.db2.gz ZUDYQMRXPAXIEI-JTQLQIEISA-N 0 0 304.268 0.385 50 0 DCAARN C[C@@](O)(CNC(=O)C(=O)NCc1ccco1)c1ccccc1 ZINC000070961786 396106558 /nfs/dbraw/zinc/10/65/58/396106558.db2.gz PDLBLTYPICILRH-MRXNPFEDSA-N 0 0 302.330 0.920 50 0 DCAARN O=C(c1cccnc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000071793452 396114967 /nfs/dbraw/zinc/11/49/67/396114967.db2.gz OUCBPKVSJWHFEG-CYBMUJFWSA-N 0 0 309.391 0.027 50 0 DCAARN O[C@@H](Cn1nnc(-c2cccc(Cl)c2)n1)CN1CCOCC1 ZINC000071810521 396115560 /nfs/dbraw/zinc/11/55/60/396115560.db2.gz CQRBQPGBDUANSR-CYBMUJFWSA-N 0 0 323.784 0.687 50 0 DCAARN CC[C@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)CN2)CCO1 ZINC000071820786 396116156 /nfs/dbraw/zinc/11/61/56/396116156.db2.gz SZRFXACCODLHBU-ZDUSSCGKSA-N 0 0 316.361 0.574 50 0 DCAARN CCO[C@H]1CCCN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC000071825600 396116809 /nfs/dbraw/zinc/11/68/09/396116809.db2.gz DMYQEFVOMBFKGG-NSHDSACASA-N 0 0 309.366 0.332 50 0 DCAARN C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H](c2ccccc2)O1 ZINC000071827263 396116981 /nfs/dbraw/zinc/11/69/81/396116981.db2.gz GTFHKGHMFKMVJC-AAEUAGOBSA-N 0 0 317.345 0.527 50 0 DCAARN Cc1noc(C2CCN(C(=O)CN3CSCC3=O)CC2)n1 ZINC000071822686 396117155 /nfs/dbraw/zinc/11/71/55/396117155.db2.gz RFNWVTSWHMZMRD-UHFFFAOYSA-N 0 0 310.379 0.617 50 0 DCAARN CCn1cc(NC(=O)N2CCC(CC(N)=O)CC2)ccc1=O ZINC000071831275 396117814 /nfs/dbraw/zinc/11/78/14/396117814.db2.gz UJBKCCGHSNTOPU-UHFFFAOYSA-N 0 0 306.366 0.988 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)N1CC[C@@H](c2ccccc2)C1 ZINC000071844150 396118382 /nfs/dbraw/zinc/11/83/82/396118382.db2.gz HNJCXOHUKXNPGJ-OAHLLOKOSA-N 0 0 322.430 0.733 50 0 DCAARN Cc1ccnc2nc(C(=O)N3CCN4CCCC[C@@H]4C3)nn21 ZINC000071839844 396118673 /nfs/dbraw/zinc/11/86/73/396118673.db2.gz ZVTQBLHXMVEAIX-GFCCVEGCSA-N 0 0 300.366 0.743 50 0 DCAARN CC1(C)NC(=O)N(CC(=O)N2CCC[C@@H]2Cn2cccn2)C1=O ZINC000071866192 396119657 /nfs/dbraw/zinc/11/96/57/396119657.db2.gz XNMDYZVWIBFIJD-LLVKDONJSA-N 0 0 319.365 0.205 50 0 DCAARN CCc1nccn1[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000071870670 396120131 /nfs/dbraw/zinc/12/01/31/396120131.db2.gz KRPCLVGPNGOSNA-NSHDSACASA-N 0 0 319.365 0.161 50 0 DCAARN Cc1nc(CN2CCCN(CC(=O)N[C@@H](C)C3CC3)CC2)no1 ZINC000071877596 396121445 /nfs/dbraw/zinc/12/14/45/396121445.db2.gz WCJRRMJFVZIZQD-LBPRGKRZSA-N 0 0 321.425 0.800 50 0 DCAARN O=C(CN1CCCC[C@@H]1Cn1cncn1)Nc1nncs1 ZINC000071876373 396121747 /nfs/dbraw/zinc/12/17/47/396121747.db2.gz MNZBPYGTBWHFAB-SNVBAGLBSA-N 0 0 307.383 0.623 50 0 DCAARN Cc1nn(CN(C)CC(=O)N2CCOCC2)c(=S)s1 ZINC000071896877 396123799 /nfs/dbraw/zinc/12/37/99/396123799.db2.gz HNQSJHLWODXROV-UHFFFAOYSA-N 0 0 302.425 0.731 50 0 DCAARN CNS(=O)(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000071897466 396124352 /nfs/dbraw/zinc/12/43/52/396124352.db2.gz XCGNFDAIUKQSQE-UHFFFAOYSA-N 0 0 324.449 0.450 50 0 DCAARN CC1CCC(NC(=O)CN2CCCS(=O)(=O)CC2)CC1 ZINC000071897343 396124475 /nfs/dbraw/zinc/12/44/75/396124475.db2.gz SMANQUOZLFYREV-UHFFFAOYSA-N 0 0 302.440 0.802 50 0 DCAARN C[C@H](NC(=O)NCCC(N)=O)c1ccc(-n2cncn2)cc1 ZINC000071923483 396125362 /nfs/dbraw/zinc/12/53/62/396125362.db2.gz RATOBJSZXMNGPG-JTQLQIEISA-N 0 0 302.338 0.503 50 0 DCAARN NC(=O)NC(=O)CCN1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000072291805 396129794 /nfs/dbraw/zinc/12/97/94/396129794.db2.gz LXCYLGUWPJALRX-NSHDSACASA-N 0 0 320.397 0.726 50 0 DCAARN CCOCC(=O)NC[C@@H](Cc1ccccc1)NC(=O)COCC ZINC000069347752 396075873 /nfs/dbraw/zinc/07/58/73/396075873.db2.gz YMQYOVFESVFPFS-OAHLLOKOSA-N 0 0 322.405 0.903 50 0 DCAARN Cc1cc(C)n(C[C@@H]2CN(Cc3nnnn3C3CC3)CCO2)n1 ZINC000069351304 396076076 /nfs/dbraw/zinc/07/60/76/396076076.db2.gz CHCNOWYBTYCIIQ-AWEZNQCLSA-N 0 0 317.397 0.722 50 0 DCAARN CN(Cc1ccco1)C(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000069392597 396077093 /nfs/dbraw/zinc/07/70/93/396077093.db2.gz OZDQHPNMUYIDCO-HNNXBMFYSA-N 0 0 318.377 0.836 50 0 DCAARN Cc1cc(NC(=O)CCN2CCO[C@@H](Cn3cccn3)C2)no1 ZINC000069418239 396077813 /nfs/dbraw/zinc/07/78/13/396077813.db2.gz ZUNYBEOXKDATAE-CYBMUJFWSA-N 0 0 319.365 0.909 50 0 DCAARN O=C(CN1CCO[C@@H](Cn2cccn2)C1)Nc1nncs1 ZINC000069491930 396080489 /nfs/dbraw/zinc/08/04/89/396080489.db2.gz WLVIPJUWIUMRNU-SNVBAGLBSA-N 0 0 308.367 0.074 50 0 DCAARN Cc1nc(C)n(C[C@H]2CCCN2CC(=O)Nc2nncs2)n1 ZINC000069587632 396083959 /nfs/dbraw/zinc/08/39/59/396083959.db2.gz YAXJSHMCPUJJNM-LLVKDONJSA-N 0 0 321.410 0.850 50 0 DCAARN CS(=O)(=O)NCCC(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000176122187 396149652 /nfs/dbraw/zinc/14/96/52/396149652.db2.gz FCWXVIUYPPJJJJ-UHFFFAOYSA-N 0 0 314.342 0.258 50 0 DCAARN CCNC(=O)C1CN(CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000075094653 396175957 /nfs/dbraw/zinc/17/59/57/396175957.db2.gz KPYXUQBQNCCHDM-UHFFFAOYSA-N 0 0 318.377 0.080 50 0 DCAARN Cc1ccc(C(=O)NCc2cccnc2-n2cncn2)c(=O)[nH]1 ZINC000075119943 396176303 /nfs/dbraw/zinc/17/63/03/396176303.db2.gz VWKPWOGPFDGSPR-UHFFFAOYSA-N 0 0 310.317 0.589 50 0 DCAARN Cc1cccc(C)c1-n1nnnc1CNC[C@@H]1CN(C)CCO1 ZINC000075133281 396176746 /nfs/dbraw/zinc/17/67/46/396176746.db2.gz QFSGVSLKNNDUCT-CQSZACIVSA-N 0 0 316.409 0.699 50 0 DCAARN CCCS(=O)(=O)[C@@H](C)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000075602588 396181509 /nfs/dbraw/zinc/18/15/09/396181509.db2.gz RYYVRCPRLRHDOT-RYUDHWBXSA-N 0 0 314.411 0.655 50 0 DCAARN CC(=O)N[C@@](C)(C(=O)N1CCC[C@@H](n2cncn2)C1)C1CC1 ZINC000075602640 396181960 /nfs/dbraw/zinc/18/19/60/396181960.db2.gz IOIZXWCOVOPRKS-UKRRQHHQSA-N 0 0 305.382 0.746 50 0 DCAARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN(CCO)CC1 ZINC000075604813 396182417 /nfs/dbraw/zinc/18/24/17/396182417.db2.gz GDMAUJYSURMVPL-GJZGRUSLSA-N 0 0 304.390 0.935 50 0 DCAARN Cc1nnc([C@H]2CN(CC(=O)NC(C3CC3)C3CC3)CCO2)[nH]1 ZINC000076048085 396193494 /nfs/dbraw/zinc/19/34/94/396193494.db2.gz MQFGXQASYOJOFE-CYBMUJFWSA-N 0 0 319.409 0.791 50 0 DCAARN COCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000076053614 396194755 /nfs/dbraw/zinc/19/47/55/396194755.db2.gz SNGMNZRTTCQJLC-MGPQQGTHSA-N 0 0 300.399 0.217 50 0 DCAARN CCc1noc(CN2CCC[C@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)n1 ZINC000076058742 396195217 /nfs/dbraw/zinc/19/52/17/396195217.db2.gz DKSFSXHWJAYWIM-ZUZCIYMTSA-N 0 0 321.381 0.784 50 0 DCAARN CCN1CCN(CC(=O)O[C@H]2CCC[C@H](OC)C2)C(=O)C1=O ZINC000078442304 396245262 /nfs/dbraw/zinc/24/52/62/396245262.db2.gz FUSAQYBSUVPNIX-RYUDHWBXSA-N 0 0 312.366 0.178 50 0 DCAARN Cn1cncc1CCC(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000281879384 396246573 /nfs/dbraw/zinc/24/65/73/396246573.db2.gz OSYCZJMPQRFLMI-CYBMUJFWSA-N 0 0 316.409 0.871 50 0 DCAARN CC(=O)NCC(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000078564790 396248278 /nfs/dbraw/zinc/24/82/78/396248278.db2.gz OJMNFMLGPBIAGP-HNNXBMFYSA-N 0 0 305.378 0.312 50 0 DCAARN CCN1CCN(C(=O)C(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000078648374 396250759 /nfs/dbraw/zinc/25/07/59/396250759.db2.gz UPAGVLWGVGHUNE-UHFFFAOYSA-N 0 0 303.362 0.992 50 0 DCAARN C[C@H](Cn1cncn1)NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000264064691 396253363 /nfs/dbraw/zinc/25/33/63/396253363.db2.gz BKXNVSNLXOQCFR-YPMHNXCESA-N 0 0 303.370 0.947 50 0 DCAARN CCc1nnsc1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000078788541 396254781 /nfs/dbraw/zinc/25/47/81/396254781.db2.gz UYISQXSDHSCOKT-NWDGAFQWSA-N 0 0 310.423 0.772 50 0 DCAARN COC(=O)CN1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183756717 396274652 /nfs/dbraw/zinc/27/46/52/396274652.db2.gz PXMMKOYKIJLYLF-GFCCVEGCSA-N 0 0 304.412 0.486 50 0 DCAARN CC(C)CN1CCN(C(=O)c2ccn3nnnc3c2)[C@H](C)C1=O ZINC000077406414 396221015 /nfs/dbraw/zinc/22/10/15/396221015.db2.gz SDOWVPILHQJZLC-LLVKDONJSA-N 0 0 316.365 0.453 50 0 DCAARN CNC(=O)NC1CN(C(=O)c2ccc(Br)o2)C1 ZINC000282353470 396283553 /nfs/dbraw/zinc/28/35/53/396283553.db2.gz AGYSFBNYFICEMW-UHFFFAOYSA-N 0 0 302.128 0.796 50 0 DCAARN COc1cc2c(nn1)CCN([C@@H](C)C(=O)Nc1ncccn1)C2 ZINC000084098630 396318513 /nfs/dbraw/zinc/31/85/13/396318513.db2.gz MMBXJZAWQPVOLP-JTQLQIEISA-N 0 0 314.349 0.661 50 0 DCAARN COCCN1CN(S(=O)(=O)c2ccc(F)c(F)c2)CC1=O ZINC000282380439 396285743 /nfs/dbraw/zinc/28/57/43/396285743.db2.gz IZTJDJSYUNDXDL-UHFFFAOYSA-N 0 0 320.317 0.402 50 0 DCAARN COc1ccc(C(=O)N2CC(=O)N(C)[C@@H](C)C2)cc1OCCO ZINC000285893943 396360534 /nfs/dbraw/zinc/36/05/34/396360534.db2.gz JHJHHZNXDNNUHY-NSHDSACASA-N 0 0 322.361 0.369 50 0 DCAARN CN(C)c1noc(CN2CCC(N3CCCNC3=O)CC2)n1 ZINC000192767075 396437596 /nfs/dbraw/zinc/43/75/96/396437596.db2.gz GRUWFQBMQBIOJW-UHFFFAOYSA-N 0 0 308.386 0.515 50 0 DCAARN COCCC(=O)N1CCC(NC(=O)c2ccc(OC)nn2)CC1 ZINC000268977856 396379480 /nfs/dbraw/zinc/37/94/80/396379480.db2.gz HVJOKZGTUPBTPD-UHFFFAOYSA-N 0 0 322.365 0.243 50 0 DCAARN CN1c2ccccc2C2(CCN(C(=O)c3cn[nH]n3)CC2)C1=O ZINC000584888298 396633154 /nfs/dbraw/zinc/63/31/54/396633154.db2.gz IGAFNZVSYHQXAQ-UHFFFAOYSA-N 0 0 311.345 0.955 50 0 DCAARN O=C(CCCn1cnnn1)N1CCC(Cn2ccnc2)CC1 ZINC000584890989 396633902 /nfs/dbraw/zinc/63/39/02/396633902.db2.gz VXHJCTMUKNITQS-UHFFFAOYSA-N 0 0 303.370 0.589 50 0 DCAARN Cc1c(O)cccc1C(=O)N1CC[C@@]2(C1)CN(C)C(=O)CO2 ZINC000584893019 396634302 /nfs/dbraw/zinc/63/43/02/396634302.db2.gz CWRLYXFSKSERKH-INIZCTEOSA-N 0 0 304.346 0.774 50 0 DCAARN O=C(NC[C@@H]1CC(=O)N(C2CCCC2)C1)c1cncc(=O)[nH]1 ZINC000584893381 396634563 /nfs/dbraw/zinc/63/45/63/396634563.db2.gz YMGNLQJOIFLWJM-JTQLQIEISA-N 0 0 304.350 0.291 50 0 DCAARN CCCn1cnnc1CN(C)C(=O)[C@H]1CCCCn2nnnc21 ZINC000584898952 396636258 /nfs/dbraw/zinc/63/62/58/396636258.db2.gz DSQOQRHWTMUGPV-NSHDSACASA-N 0 0 318.385 0.601 50 0 DCAARN COCCOCCOCCCNC(=O)N[C@H](C)C1(CO)CC1 ZINC000585137201 396641571 /nfs/dbraw/zinc/64/15/71/396641571.db2.gz LXRSVUISHBGOLS-CYBMUJFWSA-N 0 0 318.414 0.516 50 0 DCAARN Cc1cc(C(=O)N[C@@H]2CCc3nn(C)c(=O)cc3C2)nn1C ZINC000585149404 396642293 /nfs/dbraw/zinc/64/22/93/396642293.db2.gz OPQCPKXHCDJUGJ-LLVKDONJSA-N 0 0 301.350 0.110 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000374577940 396674110 /nfs/dbraw/zinc/67/41/10/396674110.db2.gz UACVTGWIELDMLU-GFCCVEGCSA-N 0 0 306.366 0.633 50 0 DCAARN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1sccc1Cl ZINC000617892920 396867855 /nfs/dbraw/zinc/86/78/55/396867855.db2.gz SXKSMHHCUNMUDQ-HTQZYQBOSA-N 0 0 309.796 0.943 50 0 DCAARN O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000390829191 397303539 /nfs/dbraw/zinc/30/35/39/397303539.db2.gz WZRFNNSFHPTVHW-SNVBAGLBSA-N 0 0 319.321 0.906 50 0 DCAARN C[C@H]1CN(C(=O)NCCn2ccnc2)C[C@@]2(CCCOC2)O1 ZINC000366853278 397394981 /nfs/dbraw/zinc/39/49/81/397394981.db2.gz BWKGKZLZQQMWHL-DZGCQCFKSA-N 0 0 308.382 0.863 50 0 DCAARN COCCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1F ZINC000072241631 292362776 /nfs/dbraw/zinc/36/27/76/292362776.db2.gz ZPEDXUCKEZKQPU-GJZGRUSLSA-N 0 0 324.352 0.877 50 0 DCAARN C[C@@H]1CCc2ccccc2N1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000078037296 158071397 /nfs/dbraw/zinc/07/13/97/158071397.db2.gz VNFNRPLFSDHMNM-GFCCVEGCSA-N 0 0 313.357 0.915 50 0 DCAARN CCOCCS(=O)(=O)NCC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000136103792 158341108 /nfs/dbraw/zinc/34/11/08/158341108.db2.gz CSGWVYPBSJHQMW-NEPJUHHUSA-N 0 0 306.428 0.589 50 0 DCAARN CCc1nnc(CN2C(=O)N[C@@](CC)(c3cnn(C)c3)C2=O)o1 ZINC000328793184 159029738 /nfs/dbraw/zinc/02/97/38/159029738.db2.gz RSHOWRJUAQQMMJ-AWEZNQCLSA-N 0 0 318.337 0.927 50 0 DCAARN CN1C(=O)N[C@@]2(CCN(C(=O)c3cnn4ccccc34)C2)C1=O ZINC000329390340 159087908 /nfs/dbraw/zinc/08/79/08/159087908.db2.gz RGLZJLZFNXBHEU-OAHLLOKOSA-N 0 0 313.317 0.305 50 0 DCAARN CN(C)C(=O)N1CCN(C(=O)CCc2cnn(C)c2)C(C)(C)C1 ZINC000408124089 160041887 /nfs/dbraw/zinc/04/18/87/160041887.db2.gz MJDPCGMJCRMHQU-UHFFFAOYSA-N 0 0 321.425 0.957 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N1CCN(c2ccccc2F)CC1 ZINC000011499549 415150187 /nfs/dbraw/zinc/15/01/87/415150187.db2.gz MGQRNHAKTROPGM-LLVKDONJSA-N 0 0 320.324 0.072 50 0 DCAARN CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(N)=O)cc1 ZINC000010518512 415150898 /nfs/dbraw/zinc/15/08/98/415150898.db2.gz LGDLNVIHCWYLAP-MRVPVSSYSA-N 0 0 300.336 0.015 50 0 DCAARN Cc1cc(C)n2c(nnc2SCc2nc(N)nc(N)n2)n1 ZINC000014122501 415151077 /nfs/dbraw/zinc/15/10/77/415151077.db2.gz VFWIQUYJLIOAMK-UHFFFAOYSA-N 0 0 303.355 0.383 50 0 DCAARN O=C(NCCN1CCOCC1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000021351247 415154031 /nfs/dbraw/zinc/15/40/31/415154031.db2.gz MUSYIWXAQQIUCY-CYBMUJFWSA-N 0 0 309.410 0.226 50 0 DCAARN CCCc1cc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)n[nH]1 ZINC000025459637 415162774 /nfs/dbraw/zinc/16/27/74/415162774.db2.gz PZQPHASLWQVEMJ-UHFFFAOYSA-N 0 0 306.322 0.117 50 0 DCAARN NC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=O)CC1 ZINC000000484994 415125472 /nfs/dbraw/zinc/12/54/72/415125472.db2.gz IMRLJPWEXHEVDF-UHFFFAOYSA-N 0 0 300.318 0.209 50 0 DCAARN CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)noc1C ZINC000007216608 415137199 /nfs/dbraw/zinc/13/71/99/415137199.db2.gz XJOMVTXZXHXNKT-JTQLQIEISA-N 0 0 322.408 0.489 50 0 DCAARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc[n+]([O-])cc1 ZINC000007681885 415139532 /nfs/dbraw/zinc/13/95/32/415139532.db2.gz FZRDBNJKWAKFIL-UHFFFAOYSA-N 0 0 312.281 0.773 50 0 DCAARN CCNC(=O)[C@H](C)NC(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000008267659 415144553 /nfs/dbraw/zinc/14/45/53/415144553.db2.gz CISRVUMVMFNTLF-NSHDSACASA-N 0 0 316.361 0.810 50 0 DCAARN CCCn1c(=O)[nH]nc1S[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000008183944 415145314 /nfs/dbraw/zinc/14/53/14/415145314.db2.gz GXJGTEFDXOKHPV-NXEZZACHSA-N 0 0 314.411 0.757 50 0 DCAARN COCCN1C(=O)C[C@@H](N2CCN(c3ccccc3)CC2)C1=O ZINC000008774778 415145547 /nfs/dbraw/zinc/14/55/47/415145547.db2.gz QKNUBEYWOFTHRD-OAHLLOKOSA-N 0 0 317.389 0.583 50 0 DCAARN CC(=O)O[C@@H]1[C@H]([C@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]12 ZINC000025627848 415166477 /nfs/dbraw/zinc/16/64/77/415166477.db2.gz QZKDRLZSJSWQPS-LVEVGFFFSA-N 0 0 302.323 0.946 50 0 DCAARN CS(=O)(=O)N1CCc2cc(C(=O)N3CCC[C@@H](O)C3)ccc21 ZINC000026241476 415169480 /nfs/dbraw/zinc/16/94/80/415169480.db2.gz ZLQQIBHPCZTMMU-CYBMUJFWSA-N 0 0 324.402 0.606 50 0 DCAARN CSCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000027744090 415174414 /nfs/dbraw/zinc/17/44/14/415174414.db2.gz PESQCPHRXOFIPX-NEPJUHHUSA-N 0 0 312.391 0.585 50 0 endogenous,in-man DCAARN C[C@H]1CCCC[C@]12NC(=O)N(CN1CCC(C(N)=O)CC1)C2=O ZINC000033029253 415186718 /nfs/dbraw/zinc/18/67/18/415186718.db2.gz NTFROZIUAQQUAJ-ZBEGNZNMSA-N 0 0 322.409 0.642 50 0 DCAARN Cc1ccc(-n2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)nn2)cc1 ZINC000032149314 415187145 /nfs/dbraw/zinc/18/71/45/415187145.db2.gz UBVMQKCPPUUXIO-LLVKDONJSA-N 0 0 320.374 0.493 50 0 DCAARN COCO[C@H]1CCC[C@@]12OC(=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000043763457 415219554 /nfs/dbraw/zinc/21/95/54/415219554.db2.gz HOQRRGBRRQXJNB-KZVDOYCCSA-N 0 0 316.306 0.318 50 0 DCAARN CCc1cccc(N2C[C@@H](C(=O)NCCNC(C)=O)CC2=O)c1 ZINC000044301828 415219614 /nfs/dbraw/zinc/21/96/14/415219614.db2.gz VRYNZMMIGHFUMA-AWEZNQCLSA-N 0 0 317.389 0.854 50 0 DCAARN CCCn1c2ccccc2n(C[C@H](O)CN2CCOCC2)c1=O ZINC000044345887 415219622 /nfs/dbraw/zinc/21/96/22/415219622.db2.gz YTYLUEBXCWAVRG-CQSZACIVSA-N 0 0 319.405 0.906 50 0 DCAARN Cc1ccc(S(=O)(=O)Cc2cc(=O)n(C)c(=O)n2C)c(C)c1 ZINC000044948067 415235409 /nfs/dbraw/zinc/23/54/09/415235409.db2.gz QTOXXPSGIBEOAV-UHFFFAOYSA-N 0 0 322.386 0.675 50 0 DCAARN O=C(NC[C@H]1CCCO1)NC1CCN(c2ncccn2)CC1 ZINC000044945762 415236612 /nfs/dbraw/zinc/23/66/12/415236612.db2.gz LQIJXXVMYWLPLI-CYBMUJFWSA-N 0 0 305.382 0.924 50 0 DCAARN Cn1cc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)cn1 ZINC000046033887 415253589 /nfs/dbraw/zinc/25/35/89/415253589.db2.gz TWNACCJYYGVCIG-UHFFFAOYSA-N 0 0 321.406 0.322 50 0 DCAARN CC1(C)Oc2ccc(S(=O)(=O)NCCCO)cc2NC1=O ZINC000046089288 415256568 /nfs/dbraw/zinc/25/65/68/415256568.db2.gz IGKWYWBHDWSLSK-UHFFFAOYSA-N 0 0 314.363 0.457 50 0 DCAARN CN(CC(N)=O)C(=O)C1CCN(c2ccc(Cl)cn2)CC1 ZINC000047109490 415267663 /nfs/dbraw/zinc/26/76/63/415267663.db2.gz PHRBWPGTALAJIF-UHFFFAOYSA-N 0 0 310.785 0.895 50 0 DCAARN CN(C(=O)c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000044873121 415228660 /nfs/dbraw/zinc/22/86/60/415228660.db2.gz VSKWTEPDTFKMPU-NSHDSACASA-N 0 0 311.359 0.717 50 0 DCAARN CN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000044889501 415229415 /nfs/dbraw/zinc/22/94/15/415229415.db2.gz ZFUJUESUXGFABW-UHFFFAOYSA-N 0 0 308.363 0.340 50 0 DCAARN CN(Cc1cccs1)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000044892950 415229845 /nfs/dbraw/zinc/22/98/45/415229845.db2.gz HAVGYGCKZXXASZ-VOTSOKGWSA-N 0 0 319.386 0.817 50 0 DCAARN CNC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1 ZINC000044911893 415232019 /nfs/dbraw/zinc/23/20/19/415232019.db2.gz OQMKROJHQXWPIN-UHFFFAOYSA-N 0 0 313.361 0.866 50 0 DCAARN C[C@H](NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)C(N)=O ZINC000048235268 415287680 /nfs/dbraw/zinc/28/76/80/415287680.db2.gz FWWNKJHHOXWTPQ-GXTWGEPZSA-N 0 0 320.393 0.060 50 0 DCAARN Cc1cc([C@@H]2CCCN2CC(=O)N2CCC(C(N)=O)CC2)on1 ZINC000048303788 415291143 /nfs/dbraw/zinc/29/11/43/415291143.db2.gz LHAJLXDLIWXEGX-ZDUSSCGKSA-N 0 0 320.393 0.844 50 0 DCAARN CC(C)Cc1cc(C(=O)N2[C@@H]3CC[C@H]2CNC(=O)C3)nc(N)n1 ZINC000065498037 415357683 /nfs/dbraw/zinc/35/76/83/415357683.db2.gz FVAZMHHLVDJGPF-NEPJUHHUSA-N 0 0 317.393 0.750 50 0 DCAARN CNC(=O)CCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000058379467 415340470 /nfs/dbraw/zinc/34/04/70/415340470.db2.gz FPWFZHNYPJQEJI-HZMBPMFUSA-N 0 0 316.423 0.437 50 0 DCAARN CC(C)=CCN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ncc[nH]1 ZINC000072148682 415410522 /nfs/dbraw/zinc/41/05/22/415410522.db2.gz GJVFOUWHKUCPEU-ZDUSSCGKSA-N 0 0 319.409 0.525 50 0 DCAARN COC(=O)c1nnn(C[C@H](O)c2ccc(Cl)cc2)c1CO ZINC000071328525 415410867 /nfs/dbraw/zinc/41/08/67/415410867.db2.gz XZUKJJFCURDNFC-NSHDSACASA-N 0 0 311.725 0.944 50 0 DCAARN CN(C)C(=O)N1CCOC[C@H]1CC(=O)NCCc1ccccn1 ZINC000072454821 415414973 /nfs/dbraw/zinc/41/49/73/415414973.db2.gz DEBMNPOWHSRYRZ-CQSZACIVSA-N 0 0 320.393 0.513 50 0 DCAARN CCN(CC)C(=O)CN1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000066893447 415367427 /nfs/dbraw/zinc/36/74/27/415367427.db2.gz AMWRKJFEMHGUKR-CQSZACIVSA-N 0 0 311.426 0.568 50 0 DCAARN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NCCOC)c1 ZINC000067358728 415375050 /nfs/dbraw/zinc/37/50/50/415375050.db2.gz VQBGRWOVQJLPQU-SNVBAGLBSA-N 0 0 315.395 0.601 50 0 DCAARN Cc1ccc2cc(CN3CCO[C@@H](C(N)=O)C3)c(=O)[nH]c2c1 ZINC000067562290 415381384 /nfs/dbraw/zinc/38/13/84/415381384.db2.gz SAFTZYPSNFLOCL-CQSZACIVSA-N 0 0 301.346 0.523 50 0 DCAARN Cn1nccc1NC(=O)Cn1cc(-c2ncnc3[nH]cnc32)cn1 ZINC000067884434 415388395 /nfs/dbraw/zinc/38/83/95/415388395.db2.gz NMDWBBRTIQMOQC-UHFFFAOYSA-N 0 0 323.320 0.589 50 0 DCAARN CC(=O)N[C@H]1CCCN(C(=O)NCc2c(C)cc(C)[nH]c2=O)C1 ZINC000084072730 415493743 /nfs/dbraw/zinc/49/37/43/415493743.db2.gz BTTAPJBAFSNFFQ-ZDUSSCGKSA-N 0 0 320.393 0.802 50 0 DCAARN C[C@](O)(CNC(=O)C(=O)NCc1cccs1)c1ccco1 ZINC000075156258 415438374 /nfs/dbraw/zinc/43/83/74/415438374.db2.gz YSCUTBBRMOQMBP-AWEZNQCLSA-N 0 0 308.359 0.981 50 0 DCAARN O=C(NCc1nc2ccccc2[nH]1)[C@@H]1CSCCC(=O)N1 ZINC000075171026 415440971 /nfs/dbraw/zinc/44/09/71/415440971.db2.gz ZLMLKQXBSKIIMI-NSHDSACASA-N 0 0 304.375 0.801 50 0 DCAARN COc1ccc(CCC(=O)N2CCN(CCO)CC2)cc1F ZINC000075572229 415448020 /nfs/dbraw/zinc/44/80/20/415448020.db2.gz NUXDFXLVGRCROB-UHFFFAOYSA-N 0 0 310.369 0.903 50 0 DCAARN Cn1nc2c(cc1=O)CN([C@@H](C(N)=O)c1ccc(F)cc1)CC2 ZINC000078620473 415464479 /nfs/dbraw/zinc/46/44/79/415464479.db2.gz FOEMLCFUTBRFIW-OAHLLOKOSA-N 0 0 316.336 0.504 50 0 DCAARN COC(=O)[C@H](C)NC(=O)CCc1nc2ccccc2n(C)c1=O ZINC000080328661 415473449 /nfs/dbraw/zinc/47/34/49/415473449.db2.gz ZKJFVQYOKCQNIK-JTQLQIEISA-N 0 0 317.345 0.544 50 0 DCAARN CC(C)[C@H]1NC(=O)N(Cc2nnnn2CC2CCOCC2)C1=O ZINC000333026275 415535252 /nfs/dbraw/zinc/53/52/52/415535252.db2.gz KUKMTFVNIJIKAE-GFCCVEGCSA-N 0 0 322.369 0.176 50 0 DCAARN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc[nH]c1=O)CC2 ZINC000091486109 415537094 /nfs/dbraw/zinc/53/70/94/415537094.db2.gz LMQBYCUUFUIHDK-OLZOCXBDSA-N 0 0 306.362 0.767 50 0 DCAARN O=C([C@H]1CC(=O)N(Cc2ccccn2)C1)N1CCCOCC1 ZINC000095361209 415555425 /nfs/dbraw/zinc/55/54/25/415555425.db2.gz ODZSMHRUVQLNPN-ZDUSSCGKSA-N 0 0 303.362 0.679 50 0 DCAARN CN(C)C(=O)CC[C@H]1CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000095383977 415557502 /nfs/dbraw/zinc/55/75/02/415557502.db2.gz LSTNIOKVAXSNMY-SNVBAGLBSA-N 0 0 322.365 0.196 50 0 DCAARN C[C@H](CNC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)Cn1cccn1 ZINC000095426883 415557723 /nfs/dbraw/zinc/55/77/23/415557723.db2.gz KQLPTBKODVSGLH-MCIONIFRSA-N 0 0 319.409 0.972 50 0 DCAARN COc1ccccc1OC1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000095387582 415560166 /nfs/dbraw/zinc/56/01/66/415560166.db2.gz GSMZGCDRSDMSCI-NSHDSACASA-N 0 0 305.334 0.308 50 0 DCAARN CC(C)C(=O)NCCNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000102916937 415603693 /nfs/dbraw/zinc/60/36/93/415603693.db2.gz JBNRWHIGAPHRHZ-TXEJJXNPSA-N 0 0 323.393 0.050 50 0 DCAARN O=C(c1ccc2c(c1)OCO2)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000103278832 415614505 /nfs/dbraw/zinc/61/45/05/415614505.db2.gz IYGWXQJZDQKDJD-JTQLQIEISA-N 0 0 302.286 0.435 50 0 DCAARN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)c2cnn3c2CCCC3)C1 ZINC000285801191 415620320 /nfs/dbraw/zinc/62/03/20/415620320.db2.gz NWXCCHQWMQFGIG-MFKMUULPSA-N 0 0 316.365 0.940 50 0 DCAARN C[C@@H]1CN(C[C@@H](O)Cn2cnc3ccsc3c2=O)C[C@H](C)O1 ZINC000106830524 415649187 /nfs/dbraw/zinc/64/91/87/415649187.db2.gz RTQCWLXAUMMDSV-GRYCIOLGSA-N 0 0 323.418 0.928 50 0 DCAARN Cn1cc(C(=O)NC2CCN(C[C@@H](O)C(F)(F)F)CC2)cn1 ZINC000097141587 415588133 /nfs/dbraw/zinc/58/81/33/415588133.db2.gz BCPMHCUYWOVFSK-LLVKDONJSA-N 0 0 320.315 0.538 50 0 DCAARN O=C1OCC[C@@H]1N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000106929430 415656340 /nfs/dbraw/zinc/65/63/40/415656340.db2.gz BLDZWLHCVCHROC-LBPRGKRZSA-N 0 0 306.366 0.770 50 0 DCAARN O=S(=O)(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000108053996 415676793 /nfs/dbraw/zinc/67/67/93/415676793.db2.gz UJKBANJHWMJPCG-HOCLYGCPSA-N 0 0 324.446 0.951 50 0 DCAARN CCC1(CC)[C@@H](NC(=O)c2nccnc2C(N)=O)C[C@@H]1OC ZINC000133404598 415945839 /nfs/dbraw/zinc/94/58/39/415945839.db2.gz YXXOKDZJUAENBB-UWVGGRQHSA-N 0 0 306.366 0.899 50 0 DCAARN CSCC(=O)N[C@@H]1CCN(Cc2csc(C)n2)C[C@H]1O ZINC000299758195 416063886 /nfs/dbraw/zinc/06/38/86/416063886.db2.gz OXHXIWIAKHUKBL-VXGBXAGGSA-N 0 0 315.464 0.866 50 0 DCAARN Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCC(=O)N(C(C)C)C2)n1 ZINC000299755228 416065022 /nfs/dbraw/zinc/06/50/22/416065022.db2.gz BRLGMDWABUZYPH-NSHDSACASA-N 0 0 306.366 0.754 50 0 DCAARN Nc1nc([C@@H]2CCOC2)cc(N2CCc3n[nH]c(CO)c3C2)n1 ZINC000299762525 416065685 /nfs/dbraw/zinc/06/56/85/416065685.db2.gz WYOOEOBAPMEHLN-SECBINFHSA-N 0 0 316.365 0.341 50 0 DCAARN O=C(NCCCn1ccnn1)[C@H]1CCCCN1C(=O)C1CC1 ZINC000299764862 416066125 /nfs/dbraw/zinc/06/61/25/416066125.db2.gz UQVKRRNCTOMMLX-CYBMUJFWSA-N 0 0 305.382 0.576 50 0 DCAARN Cc1nonc1CC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000299771412 416066240 /nfs/dbraw/zinc/06/62/40/416066240.db2.gz ZPNQXDAZGBYLFG-LLVKDONJSA-N 0 0 302.338 0.496 50 0 DCAARN Cc1csc([C@H](C)CNC(=O)Cn2cc(C)c(=O)[nH]c2=O)n1 ZINC000299778337 416066664 /nfs/dbraw/zinc/06/66/64/416066664.db2.gz OSRXAKLARJJMOW-MRVPVSSYSA-N 0 0 322.390 0.942 50 0 DCAARN CN(C)C(=O)NCC(=O)N1CCN(Cc2cccc(O)c2)CC1 ZINC000299785408 416069148 /nfs/dbraw/zinc/06/91/48/416069148.db2.gz ZNFCQEVTZOJSBJ-UHFFFAOYSA-N 0 0 320.393 0.308 50 0 DCAARN Cn1ncc2cc(NC(=O)NCCNS(C)(=O)=O)ccc21 ZINC000299787657 416069267 /nfs/dbraw/zinc/06/92/67/416069267.db2.gz YHQUJCQYVWONBW-UHFFFAOYSA-N 0 0 311.367 0.244 50 0 DCAARN CN(C)c1cncc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)n1 ZINC000299789331 416069556 /nfs/dbraw/zinc/06/95/56/416069556.db2.gz ZOSMCCHPVACDPA-RYUDHWBXSA-N 0 0 301.354 0.484 50 0 DCAARN CCc1nnsc1C(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299785415 416069756 /nfs/dbraw/zinc/06/97/56/416069756.db2.gz ZQAZUUAZPWFZEH-QWRGUYRKSA-N 0 0 320.378 0.678 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccc(Cl)cn2)C1 ZINC000299800231 416071399 /nfs/dbraw/zinc/07/13/99/416071399.db2.gz ULBXMPASRDGRLQ-MRVPVSSYSA-N 0 0 303.771 0.486 50 0 DCAARN O=C(CCn1cccc1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299802125 416071502 /nfs/dbraw/zinc/07/15/02/416071502.db2.gz RUAUJLALXASDEE-KBPBESRZSA-N 0 0 301.350 0.842 50 0 DCAARN COc1cccc(CNC(=O)N2CCC[C@H](CC(N)=O)C2)n1 ZINC000175413218 416105866 /nfs/dbraw/zinc/10/58/66/416105866.db2.gz LQVBVQXKHJZQFK-LLVKDONJSA-N 0 0 306.366 0.887 50 0 DCAARN COC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000330648218 416223050 /nfs/dbraw/zinc/22/30/50/416223050.db2.gz VPEOIKWCPNOYIN-QWRGUYRKSA-N 0 0 305.396 0.467 50 0 DCAARN Cn1ccsc1=NC(=O)Cn1cnc2ccccc2c1=O ZINC000263622239 416338409 /nfs/dbraw/zinc/33/84/09/416338409.db2.gz PYDDZFDIOHKCTB-UHFFFAOYSA-N 0 0 300.343 0.924 50 0 DCAARN Cn1cnnc1SCCNC(=O)Cn1nc2ccccc2n1 ZINC000215045210 416327118 /nfs/dbraw/zinc/32/71/18/416327118.db2.gz XHWYVHWDWYZAGY-UHFFFAOYSA-N 0 0 317.378 0.468 50 0 DCAARN Cn1ccnc1[C@H](O)C1CC[NH+](Cc2c[nH]nc2C(=O)[O-])CC1 ZINC000215660319 416327308 /nfs/dbraw/zinc/32/73/08/416327308.db2.gz HIYULIJJTJWGEE-CYBMUJFWSA-N 0 0 319.365 0.787 50 0 DCAARN COc1ccccc1-n1cc(C(=O)N(C)C[C@@H](O)CO)cn1 ZINC000216414694 416327456 /nfs/dbraw/zinc/32/74/56/416327456.db2.gz UHGMQTRCEYSHER-GFCCVEGCSA-N 0 0 305.334 0.306 50 0 DCAARN CC(=O)N[C@@H]1CCCN(C(=O)C[S@@](=O)[C@@H](C)C(C)C)C1 ZINC000229953711 416328113 /nfs/dbraw/zinc/32/81/13/416328113.db2.gz RSJLQBQELXUNNA-SZZPBAKOSA-N 0 0 302.440 0.907 50 0 DCAARN CC(C)CC(=O)NCCC(=O)N[C@H](C)c1nnnn1C1CC1 ZINC000240786105 416330061 /nfs/dbraw/zinc/33/00/61/416330061.db2.gz IAKKDDHODPMTDB-SNVBAGLBSA-N 0 0 308.386 0.738 50 0 DCAARN Cn1cnnc1SCC(=O)N1CC[C@]2(C1)CCCN(C)C2=O ZINC000244594283 416330356 /nfs/dbraw/zinc/33/03/56/416330356.db2.gz DJYDBXBSDZQKGP-AWEZNQCLSA-N 0 0 323.422 0.378 50 0 DCAARN Cc1nc(SCCNC(=O)c2[nH]nc3c2COCC3)n[nH]1 ZINC000243901250 416330589 /nfs/dbraw/zinc/33/05/89/416330589.db2.gz BAKSCJAWDKYLOU-UHFFFAOYSA-N 0 0 308.367 0.431 50 0 DCAARN Cc1cc(C)n([C@@H]2CCN(C(=O)CCNS(C)(=O)=O)C2)n1 ZINC000244723902 416330958 /nfs/dbraw/zinc/33/09/58/416330958.db2.gz MJQUXYXGUQBFJT-GFCCVEGCSA-N 0 0 314.411 0.213 50 0 DCAARN C[C@@H]1O[C@H](Nc2ccc(Br)cc2)[C@H](O)[C@H](O)[C@H]1O ZINC000245333874 416331013 /nfs/dbraw/zinc/33/10/13/416331013.db2.gz BOGJQGFKEAPGGK-UOAXWKJLSA-N 0 0 318.167 0.689 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCC(Cc2cccnc2)CC1 ZINC000361090115 416420283 /nfs/dbraw/zinc/42/02/83/416420283.db2.gz WUDBSKRCYARTJH-ZDUSSCGKSA-N 0 0 316.361 0.461 50 0 DCAARN NC(=O)c1ccc2c(n1)N(C(=O)COC[C@@H]1CCCO1)CCC2 ZINC000585114358 416517495 /nfs/dbraw/zinc/51/74/95/416517495.db2.gz OWFXGHJHDPNXLQ-LBPRGKRZSA-N 0 0 319.361 0.655 50 0 DCAARN C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1S(=O)(=O)c1cccc2c1OCC2 ZINC000585115146 416518197 /nfs/dbraw/zinc/51/81/97/416518197.db2.gz OJFMAHHSXWBODO-AXFHLTTASA-N 0 0 324.402 0.908 50 0 DCAARN COCC(COC)S(=O)(=O)N[C@H](C)Cc1c(C)noc1C ZINC000585115789 416518541 /nfs/dbraw/zinc/51/85/41/416518541.db2.gz SRNFCCPJMVMEEC-SECBINFHSA-N 0 0 320.411 0.803 50 0 DCAARN CC(C)(C)OC(=O)[C@]1(C)CCCN1CCN1C(=O)CNC1=O ZINC000585123438 416519130 /nfs/dbraw/zinc/51/91/30/416519130.db2.gz HOGJZKIMCQNMSW-HNNXBMFYSA-N 0 0 311.382 0.734 50 0 DCAARN O=C(c1cnc2ccccc2n1)N1CC(Nc2cccnn2)C1 ZINC000585148940 416520045 /nfs/dbraw/zinc/52/00/45/416520045.db2.gz LZANEYHCCLNWNO-UHFFFAOYSA-N 0 0 306.329 1.356 50 0 DCAARN CCc1nc2ccccc2n1CCC(=O)NCc1nc(N)n[nH]1 ZINC000426477701 416771878 /nfs/dbraw/zinc/77/18/78/416771878.db2.gz HTKAABZTLLQXOX-UHFFFAOYSA-N 0 0 313.365 1.006 50 0 DCAARN CC(=O)N1CCCN(c2cc([C@H]3CCOC3)nc(N)n2)CC1 ZINC000426477374 416772852 /nfs/dbraw/zinc/77/28/52/416772852.db2.gz KYCOUCQRMNIJAO-LBPRGKRZSA-N 0 0 305.382 0.621 50 0 DCAARN CCSCCNc1cc([C@H]2CCOC2)nc(N2CC(O)C2)n1 ZINC000426550718 416774401 /nfs/dbraw/zinc/77/44/01/416774401.db2.gz ZOEHOACOWAYDMY-NSHDSACASA-N 0 0 324.450 1.326 50 0 DCAARN Nc1nc(NCCSc2c[nH]nn2)cc([C@H]2CCOC2)n1 ZINC000426546225 416775588 /nfs/dbraw/zinc/77/55/88/416775588.db2.gz PKMISWHMBRFIRN-QMMMGPOBSA-N 0 0 307.383 0.307 50 0 DCAARN COC[C@]1(C(=O)NCCNC(=O)c2ccc(F)cc2)CCOC1 ZINC000449802305 417178024 /nfs/dbraw/zinc/17/80/24/417178024.db2.gz JFEVNRFWCISVDU-MRXNPFEDSA-N 0 0 324.352 0.725 50 0 DCAARN Cc1cc(NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)nnc1C ZINC000408473995 417164301 /nfs/dbraw/zinc/16/43/01/417164301.db2.gz XLHQPHQRBONMDJ-DGCLKSJQSA-N 0 0 301.350 1.543 50 0 DCAARN CCNc1ncnc2cc(C(=O)N3CCn4cnnc4C3)ccc21 ZINC000408522264 417166868 /nfs/dbraw/zinc/16/68/68/417166868.db2.gz GNBSAZHSAXPSCO-UHFFFAOYSA-N 0 0 323.360 1.309 50 0 DCAARN COCC(=O)N1CCC(NC(=O)NCc2cccnc2C)CC1 ZINC000527723549 417271426 /nfs/dbraw/zinc/27/14/26/417271426.db2.gz CMGNLVJEXYMBCE-UHFFFAOYSA-N 0 0 320.393 0.827 50 0 DCAARN C[C@@H](Oc1ccccc1)C(=O)N1CC[C@@H](N2C(=O)CNC2=O)C1 ZINC000575607316 417539392 /nfs/dbraw/zinc/53/93/92/417539392.db2.gz SHZFLOBMTVVMIG-VXGBXAGGSA-N 0 0 317.345 0.607 50 0 DCAARN O=C(c1cccs1)N1CCC(N2C(=O)COCC2=O)CC1 ZINC000575608252 417541807 /nfs/dbraw/zinc/54/18/07/417541807.db2.gz MMAIDJFZQQUVOT-UHFFFAOYSA-N 0 0 308.359 0.738 50 0 DCAARN O=C(OCc1ccccn1)N1CC(CN2C(=O)COC2=O)C1 ZINC000575616717 417541834 /nfs/dbraw/zinc/54/18/34/417541834.db2.gz OAXJHDXSZSPYFF-UHFFFAOYSA-N 0 0 305.290 0.629 50 0 DCAARN CN(C)c1nc(CNC(=O)[C@@H]2CCOC2)nc(N2CCCC2)n1 ZINC000575607690 417542071 /nfs/dbraw/zinc/54/20/71/417542071.db2.gz VVEDFQOTZIHLAX-LLVKDONJSA-N 0 0 320.397 0.191 50 0 DCAARN Cn1ccc(C(=O)N[C@]2(CO)COc3ccccc3C2)cc1=O ZINC000529824023 417514558 /nfs/dbraw/zinc/51/45/58/417514558.db2.gz XBJIGSYKOWODCO-QGZVFWFLSA-N 0 0 314.341 0.481 50 0 DCAARN NS(=O)(=O)CCCCNC(=O)NCCCc1ccccc1 ZINC000297602718 227353694 /nfs/dbraw/zinc/35/36/94/227353694.db2.gz FXEPRBRSDCWXKM-UHFFFAOYSA-N 0 0 313.423 0.987 50 0 DCAARN O=C([C@@H]1COc2ccccc2O1)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000299566846 229217827 /nfs/dbraw/zinc/21/78/27/229217827.db2.gz SVVFBAXACJMRND-MFKMUULPSA-N 0 0 316.313 0.233 50 0 DCAARN Cc1ncn(C)c1C(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299803164 229461909 /nfs/dbraw/zinc/46/19/09/229461909.db2.gz YQTGFWGQYMLVFW-RYUDHWBXSA-N 0 0 302.338 0.306 50 0 DCAARN CO[C@@H]1CN(C(=O)[C@H]2CCN2C(=O)OC(C)(C)C)CCO1 ZINC000496214657 272300029 /nfs/dbraw/zinc/30/00/29/272300029.db2.gz BIXRVMWBKHGHKU-MNOVXSKESA-N 0 0 300.355 0.827 50 0 DCAARN CCN(CC)C[C@H](O)CNC1=NS(=O)(=O)c2ccccc21 ZINC000000068164 276108843 /nfs/dbraw/zinc/10/88/43/276108843.db2.gz RQPGPOAYRPGMJG-LLVKDONJSA-N 0 0 311.407 0.428 50 0 DCAARN CCCn1c(Br)nc2c1n(C)c(=O)n(C)c2=O ZINC000016627747 276297287 /nfs/dbraw/zinc/29/72/87/276297287.db2.gz WBAIQQIIYRIFEH-UHFFFAOYSA-N 0 0 301.144 0.606 50 0 DCAARN C[C@@H]1CN(C(=O)CN2CCOCC2=O)[C@@H](c2ccccc2)CO1 ZINC000240465912 287886013 /nfs/dbraw/zinc/88/60/13/287886013.db2.gz GBIJGQLZRPBAEB-UKRRQHHQSA-N 0 0 318.373 0.834 50 0 DCAARN CO[C@@H]1CCCCC[C@H]1Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000097011964 277282229 /nfs/dbraw/zinc/28/22/29/277282229.db2.gz GZCSBRRWFCTSEC-NXEZZACHSA-N 0 0 321.381 0.720 50 0 DCAARN COc1ccccc1CN1CNc2c(c(=O)n(C)c(=O)n2C)C1 ZINC000020320125 277467731 /nfs/dbraw/zinc/46/77/31/277467731.db2.gz QMALJZNSJZWWNJ-UHFFFAOYSA-N 0 0 316.361 0.478 50 0 DCAARN CS(=O)(=O)N1CC[C@@H](C(N)=O)Oc2ccc(Cl)cc21 ZINC000035511740 277497332 /nfs/dbraw/zinc/49/73/32/277497332.db2.gz OKZQEUAVWXYYKV-JTQLQIEISA-N 0 0 304.755 0.742 50 0 DCAARN CC(=O)N1CCCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000408036809 278002087 /nfs/dbraw/zinc/00/20/87/278002087.db2.gz XJURXYMAORGUKD-ZDUSSCGKSA-N 0 0 309.410 0.714 50 0 DCAARN CC(=O)N1CCC[C@@H](C(=O)N2CCN(CC(C)(C)O)CC2)C1 ZINC000069897194 278004597 /nfs/dbraw/zinc/00/45/97/278004597.db2.gz XKPHEHATKUPIBT-CQSZACIVSA-N 0 0 311.426 0.160 50 0 DCAARN C[C@@H]1C(=O)NCCN1c1nc(-c2ccncc2)nc2c1cnn2C ZINC000072152893 278434517 /nfs/dbraw/zinc/43/45/17/278434517.db2.gz MQIXOLJBIZJPHA-SNVBAGLBSA-N 0 0 323.360 0.750 50 0 DCAARN O=C(c1nnn2c1c(=O)[nH]c1cc(F)ccc12)N1CCCC1 ZINC000075532704 280244680 /nfs/dbraw/zinc/24/46/80/280244680.db2.gz QCUKVZCFESBXRJ-UHFFFAOYSA-N 0 0 301.281 0.946 50 0 DCAARN O=C1CN(C2Cc3ccccc3C2)C(=O)[C@@H]2C[C@H](O)CCN12 ZINC000065393561 280262722 /nfs/dbraw/zinc/26/27/22/280262722.db2.gz KWKSFUMVSPFQCI-CABCVRRESA-N 0 0 300.358 0.348 50 0 DCAARN CCc1nnc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)s1 ZINC000102287693 281560536 /nfs/dbraw/zinc/56/05/36/281560536.db2.gz QKRGVNWCLXBALZ-DTORHVGOSA-N 0 0 320.374 0.990 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(C(=O)N2CCCCCC2)CC1 ZINC000002884704 289256202 /nfs/dbraw/zinc/25/62/02/289256202.db2.gz AFQGNSLFHQUYST-UHFFFAOYSA-N 0 0 318.443 0.406 50 0 DCAARN Cc1nccnc1C[NH+]1CCC2(CC1)NC(=O)C[C@H]2C(=O)[O-] ZINC000091440372 293657096 /nfs/dbraw/zinc/65/70/96/293657096.db2.gz QPCZSLURAUOHPH-NSHDSACASA-N 0 0 304.350 0.340 50 0 DCAARN NC(=O)[C@H]1C[C@@H](O)CN1c1ncnc2sc3c(c21)CCC3 ZINC000012850469 295163448 /nfs/dbraw/zinc/16/34/48/295163448.db2.gz WGORHNVUNUUFRW-VXNVDRBHSA-N 0 0 304.375 0.605 50 0 DCAARN Cc1cnc(C(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cn1 ZINC000044911433 302334694 /nfs/dbraw/zinc/33/46/94/302334694.db2.gz OJHYNOCFQBHERX-ZFWWWQNUSA-N 0 0 320.393 0.252 50 0 DCAARN O=C(CN1CCCCC1=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000329144999 303605661 /nfs/dbraw/zinc/60/56/61/303605661.db2.gz WQCOZKMBGCJGLJ-MGPQQGTHSA-N 0 0 310.394 0.387 50 0 DCAARN COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C)cc1C ZINC000030322441 331619652 /nfs/dbraw/zinc/61/96/52/331619652.db2.gz YBXYPWPZPNRFDH-UHFFFAOYSA-N 0 0 300.380 0.712 50 0 DCAARN Nc1nncn1S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000097166264 332193674 /nfs/dbraw/zinc/19/36/74/332193674.db2.gz ORSPYORQXGKQMV-UHFFFAOYSA-N 0 0 315.698 0.185 50 0 DCAARN COC(=O)[C@H]1C[C@H](O)CN1Cc1cnn(C)c1C(F)(F)F ZINC000188610570 333050276 /nfs/dbraw/zinc/05/02/76/333050276.db2.gz KBNFIHJSYLCNFZ-DTWKUNHWSA-N 0 0 307.272 0.547 50 0 DCAARN CC[C@@H](C(=O)NCc1[nH]cc(C)c(=O)c1C)N1CCOCC1 ZINC000534584090 334288023 /nfs/dbraw/zinc/28/80/23/334288023.db2.gz CXNYWXQCOMOQLG-AWEZNQCLSA-N 0 0 307.394 0.719 50 0 DCAARN COCCc1noc(CNS(=O)(=O)N2CCCCC2)n1 ZINC000534593172 334294966 /nfs/dbraw/zinc/29/49/66/334294966.db2.gz VPBIGZLMYKGGKK-UHFFFAOYSA-N 0 0 304.372 0.079 50 0 DCAARN CCN1C[C@H](NS(=O)(=O)Cc2ccc(F)cc2)[C@@H](OC)C1 ZINC000534645469 334307009 /nfs/dbraw/zinc/30/70/09/334307009.db2.gz VGXIWPZBSVUXEN-KBPBESRZSA-N 0 0 316.398 0.964 50 0 DCAARN Cc1nccn1CC1(CNC(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC000534645969 334308132 /nfs/dbraw/zinc/30/81/32/334308132.db2.gz KAQWFFIOSLJHPB-LBPRGKRZSA-N 0 0 305.382 0.631 50 0 DCAARN COc1ccccc1OC1CN(C(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC000534640816 334311126 /nfs/dbraw/zinc/31/11/26/334311126.db2.gz XOMBXFKWGUVSHT-LLVKDONJSA-N 0 0 321.377 0.945 50 0 DCAARN COC(C)(C)C(=O)N[C@H]1CN(C)S(=O)(=O)c2ccsc21 ZINC000534650433 334311594 /nfs/dbraw/zinc/31/15/94/334311594.db2.gz GXEBDWAPIHUNBW-QMMMGPOBSA-N 0 0 318.420 0.965 50 0 DCAARN CC(C)(C)c1noc(CNC(=O)c2ccc3nnnn3c2)n1 ZINC000534652476 334312557 /nfs/dbraw/zinc/31/25/57/334312557.db2.gz FMZLYUXCZJOKOX-UHFFFAOYSA-N 0 0 301.310 0.735 50 0 DCAARN CCCn1ncnc1[C@H](C)NC(=O)c1cc(=O)c(OC)c[nH]1 ZINC000534661151 334317326 /nfs/dbraw/zinc/31/73/26/334317326.db2.gz QPYTYBGJYWDHPT-VIFPVBQESA-N 0 0 305.338 0.876 50 0 DCAARN CCCn1ncnc1[C@@H](C)NC(=O)C(C)(C)N1CCOCC1 ZINC000534666270 334318858 /nfs/dbraw/zinc/31/88/58/334318858.db2.gz YBCATKLPWWTOOM-GFCCVEGCSA-N 0 0 309.414 0.976 50 0 DCAARN Cc1noc(C)c1CC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000012909343 337272353 /nfs/dbraw/zinc/27/23/53/337272353.db2.gz PIVCCIGWYYVEGT-UHFFFAOYSA-N 0 0 323.374 0.798 50 0 DCAARN C[C@H](C(=O)Nc1nccs1)N1CCO[C@H](Cn2cncn2)C1 ZINC000071876569 337366846 /nfs/dbraw/zinc/36/68/46/337366846.db2.gz CSCATOOPYYNXFF-MNOVXSKESA-N 0 0 322.394 0.463 50 0 DCAARN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)C ZINC000071385260 518183866 /nfs/dbraw/zinc/18/38/66/518183866.db2.gz LLDMEVBKYPIAMI-JTQLQIEISA-N 0 0 300.380 0.938 50 0 DCAARN CCOc1cccc(N2CCN(c3nccn(C)c3=O)CC2)n1 ZINC000266461099 521385056 /nfs/dbraw/zinc/38/50/56/521385056.db2.gz YRYFQNLDGFKFGN-UHFFFAOYSA-N 0 0 315.377 0.901 50 0 DCAARN CN(C(=O)[C@H]1COCCN1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000237282048 523910020 /nfs/dbraw/zinc/91/00/20/523910020.db2.gz LXDUBAUSOCNYRD-TZMCWYRMSA-N 0 0 321.352 0.378 50 0 DCAARN Cc1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1F ZINC000131485337 525574179 /nfs/dbraw/zinc/57/41/79/525574179.db2.gz CTHDBFLQUPSCSY-CABZTGNLSA-N 0 0 316.354 0.445 50 0 DCAARN CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(N)=O)cc1 ZINC000408517782 528124481 /nfs/dbraw/zinc/12/44/81/528124481.db2.gz TXZFIZDMKYTUJE-WCQYABFASA-N 0 0 312.391 0.419 50 0 DCAARN CCN(CCCNC(=O)N1C[C@@H]2[C@H](C1)C2(C)C)S(C)(=O)=O ZINC000175765149 528455861 /nfs/dbraw/zinc/45/58/61/528455861.db2.gz FYSRXEJOIQVJDV-TXEJJXNPSA-N 0 0 317.455 0.955 50 0 DCAARN COCCCNC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC000032648115 536552596 /nfs/dbraw/zinc/55/25/96/536552596.db2.gz KNSXOLHDUYCHBD-LLVKDONJSA-N 0 0 304.350 0.478 50 0 DCAARN Cc1sc(=O)n(CCC(=O)N[C@@H]2CCC[C@@H]2C(N)=O)c1C ZINC000084061881 545698089 /nfs/dbraw/zinc/69/80/89/545698089.db2.gz YPMMDOCLFRKTRN-WDEREUQCSA-N 0 0 311.407 0.687 50 0 DCAARN O=C(CN1CCC[C@@H]1c1noc(C2CC2)n1)N1CCNC1=O ZINC000084136701 545700174 /nfs/dbraw/zinc/70/01/74/545700174.db2.gz OQZTUHDBSHCLEJ-SNVBAGLBSA-N 0 0 305.338 0.636 50 0 DCAARN Cn1c(=O)cc(COC(=O)C=C(C2CC2)C2CC2)n(C)c1=O ZINC000084303541 545700731 /nfs/dbraw/zinc/70/07/31/545700731.db2.gz CSCXPXNHIAXHAH-UHFFFAOYSA-N 0 0 304.346 0.874 50 0 DCAARN Cc1nc(CC2CC2)sc1C(=O)NCCS(N)(=O)=O ZINC000188133690 545916600 /nfs/dbraw/zinc/91/66/00/545916600.db2.gz WKUOQVVLFPRBPM-UHFFFAOYSA-N 0 0 303.409 0.422 50 0 DCAARN CCOc1cnc(C(=O)N2CC[C@H](N3CCOCC3)C2)cn1 ZINC000189197264 545920950 /nfs/dbraw/zinc/92/09/50/545920950.db2.gz OOHFIDYVSKZZNC-LBPRGKRZSA-N 0 0 306.366 0.422 50 0 DCAARN COC[C@@H](C)n1ccc(NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)n1 ZINC000189793673 545921687 /nfs/dbraw/zinc/92/16/87/545921687.db2.gz BBZLYDKZEZIBPA-MNOVXSKESA-N 0 0 321.381 0.975 50 0 DCAARN Cc1noc(C)c1CC(=O)NC[C@H](O)Cn1ccccc1=O ZINC000206889688 545936916 /nfs/dbraw/zinc/93/69/16/545936916.db2.gz XYTQPGUFUPINFI-LBPRGKRZSA-N 0 0 305.334 0.173 50 0 DCAARN COc1cc2c(cc1OC)CN(C(=O)C[C@@H]1C[NH2+]CCO1)CC2 ZINC000216020077 545938432 /nfs/dbraw/zinc/93/84/32/545938432.db2.gz BDLAIIOVTXCPHC-CQSZACIVSA-N 0 0 320.389 0.967 50 0 DCAARN CC1(C)NC(=O)N(CC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)C1=O ZINC000215832056 545939250 /nfs/dbraw/zinc/93/92/50/545939250.db2.gz NYEUECNOOYJRIA-SNVBAGLBSA-N 0 0 319.365 0.446 50 0 DCAARN Cc1ccc(-n2cccn2)cc1S(=O)(=O)NCC(=O)N(C)C ZINC000670438494 547091238 /nfs/dbraw/zinc/09/12/38/547091238.db2.gz SUINPTQZVCTVAQ-UHFFFAOYSA-N 0 0 322.390 0.547 50 0 DCAARN CN1CCN(C)[C@H](CNC(=O)c2cccc3c2CCC3=O)C1 ZINC000670442513 547092260 /nfs/dbraw/zinc/09/22/60/547092260.db2.gz FAZINHBENLEPIX-GFCCVEGCSA-N 0 0 301.390 0.791 50 0 DCAARN Cn1ccn2ncc(C(=O)NCc3nc(-c4ccncc4)n[nH]3)c12 ZINC000670447934 547094380 /nfs/dbraw/zinc/09/43/80/547094380.db2.gz AMMZPMABGOWTNZ-UHFFFAOYSA-N 0 0 322.332 0.783 50 0 DCAARN Cc1cc2nc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)cc(C)n2n1 ZINC000670452177 547096553 /nfs/dbraw/zinc/09/65/53/547096553.db2.gz AHYRARRDTRFDQJ-AWEZNQCLSA-N 0 0 322.390 0.653 50 0 DCAARN O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1cscn1 ZINC000670456151 547097757 /nfs/dbraw/zinc/09/77/57/547097757.db2.gz IWZBERTYDBXCBP-UHFFFAOYSA-N 0 0 324.406 0.790 50 0 DCAARN COc1ccc(C(=O)NCCC2N=NC(=O)N2C)c(OC)c1 ZINC000670455432 547098032 /nfs/dbraw/zinc/09/80/32/547098032.db2.gz YAQWBFOMRLHXLA-UHFFFAOYSA-N 0 0 306.322 0.510 50 0 DCAARN O=C(C[C@H]1CCCOC1)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC000670469343 547099997 /nfs/dbraw/zinc/09/99/97/547099997.db2.gz HYUYFTUIZDDPCW-GFCCVEGCSA-N 0 0 308.378 0.849 50 0 DCAARN Cc1ccc2[nH]c(CNC(=O)NC[C@H]3C[NH2+]CCO3)nc2c1C ZINC000670473497 547101477 /nfs/dbraw/zinc/10/14/77/547101477.db2.gz QBQKYGYQHPAVIX-GFCCVEGCSA-N 0 0 317.393 0.967 50 0 DCAARN C[C@H](CN(C)c1cncc(C(=O)N(C)C)n1)N1CCOCC1 ZINC000670472050 547101814 /nfs/dbraw/zinc/10/18/14/547101814.db2.gz XFGTXAGNIGXEHE-GFCCVEGCSA-N 0 0 307.398 0.335 50 0 DCAARN CCOC(=O)[C@]1(COC)CCCN(C(=O)Nc2cccnn2)C1 ZINC000328587981 563960177 /nfs/dbraw/zinc/96/01/77/563960177.db2.gz KYBWTPISSVRPSI-OAHLLOKOSA-N 0 0 322.365 1.300 50 0 DCAARN NC(=O)c1ccc(C(=O)N[C@H]2CCc3nc(N)sc3C2)cc1 ZINC000328593404 563960489 /nfs/dbraw/zinc/96/04/89/563960489.db2.gz VFAVXEKWNNIHNN-JTQLQIEISA-N 0 0 316.386 1.112 50 0 DCAARN COC(=O)CS(=O)(=O)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000888096328 661173765 /nfs/dbraw/zinc/17/37/65/661173765.db2.gz ATABMNVFVDOKTC-JTQLQIEISA-N 0 0 311.359 0.552 50 0 DCAARN COCC1(C2CCC2)CN(C(=O)N[C@H]2CC[S@@](=O)C2)C1 ZINC000888101528 661180551 /nfs/dbraw/zinc/18/05/51/661180551.db2.gz AYSLLAPQLRWLCX-FKIZINRSSA-N 0 0 300.424 0.966 50 0 DCAARN CCN(CC)C(=O)COC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000006649427 661245745 /nfs/dbraw/zinc/24/57/45/661245745.db2.gz NMBYOZMGHIMEKV-UHFFFAOYSA-N 0 0 303.318 0.948 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1COC ZINC000257182436 659051784 /nfs/dbraw/zinc/05/17/84/659051784.db2.gz GNIWKJIBULQUPI-CMPLNLGQSA-N 0 0 307.350 0.176 50 0 DCAARN NC(=O)C1(NC(=O)c2n[nH]c(=O)c3ccccc32)CCCC1 ZINC000733779644 666817764 /nfs/dbraw/zinc/81/77/64/666817764.db2.gz FWLFWEJQFRJWDS-UHFFFAOYSA-N 0 0 300.318 0.863 50 0 DCAARN COC(OC)C(=O)N1CCN(CCO[C@@H]2CCCCO2)CC1 ZINC000857706523 670940177 /nfs/dbraw/zinc/94/01/77/670940177.db2.gz YENWLXWWPGPYDC-CYBMUJFWSA-N 0 0 316.398 0.293 50 0 DCAARN O=C(NCCc1cnccn1)N[C@H]1CCN(C2CCC2)C1=O ZINC000858345605 670995012 /nfs/dbraw/zinc/99/50/12/670995012.db2.gz QILUOKRZPCWQSD-ZDUSSCGKSA-N 0 0 303.366 0.472 50 0 DCAARN O=C(Cn1cccn1)NC[C@H]1CCCN(c2cnccn2)C1 ZINC000952969286 685598953 /nfs/dbraw/zinc/59/89/53/685598953.db2.gz QAEDXVNPOIOYAC-CYBMUJFWSA-N 0 0 300.366 0.706 50 0 DCAARN Cc1n[nH]c(C)c1S(=O)(=O)N(C)C[C@@H](C)N1CCOCC1 ZINC000952966672 685599083 /nfs/dbraw/zinc/59/90/83/685599083.db2.gz WGEOUGKEVLDSQY-SNVBAGLBSA-N 0 0 316.427 0.368 50 0 DCAARN Cc1cc(N)n(CC(=O)NCc2nc3ccccc3c(=O)[nH]2)n1 ZINC000952968148 685599176 /nfs/dbraw/zinc/59/91/76/685599176.db2.gz AWIAXUJGKLHBBG-UHFFFAOYSA-N 0 0 312.333 0.739 50 0 DCAARN C[C@H](Cn1cncn1)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000952969068 685599305 /nfs/dbraw/zinc/59/93/05/685599305.db2.gz ASJUWKCFYRGOJR-LLVKDONJSA-N 0 0 319.340 0.600 50 0 DCAARN Cc1n[nH]c2c1CN(C(=O)CCC(=O)Nc1nncs1)CC2 ZINC000952980636 685600873 /nfs/dbraw/zinc/60/08/73/685600873.db2.gz XPJOQBRKDTZQFX-UHFFFAOYSA-N 0 0 320.378 0.873 50 0 DCAARN OC[C@]12COCCN1CCN(c1cc[nH+]cc1C(F)(F)F)C2 ZINC000952995590 685603607 /nfs/dbraw/zinc/60/36/07/685603607.db2.gz QSTWXWGZVLPQHW-CYBMUJFWSA-N 0 0 317.311 0.984 50 0 DCAARN CC(C)N(C)S(=O)(=O)NCc1ccc(S(C)(=O)=O)nc1 ZINC000952994270 685603771 /nfs/dbraw/zinc/60/37/71/685603771.db2.gz NYHRSSPDMFAMOT-UHFFFAOYSA-N 0 0 321.424 0.160 50 0 DCAARN CC(=O)c1cccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)c1 ZINC000020202530 685051963 /nfs/dbraw/zinc/05/19/63/685051963.db2.gz XOGJLKMHXQXBAJ-IRXDYDNUSA-N 0 0 304.390 0.767 50 0 DCAARN CN(C(=O)c1cccn1C)[C@H]1CCc2nn(C)c(=O)n2CC1 ZINC000169783269 685141211 /nfs/dbraw/zinc/14/12/11/685141211.db2.gz WOKGBFXTHPEAIW-NSHDSACASA-N 0 0 303.366 0.397 50 0 DCAARN O=C(CCCc1cn[nH]c1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704345272 1179980202 /nfs/dbraw/zinc/98/02/02/1179980202.db2.gz VRLZPFYAMUYBSS-UKRRQHHQSA-N 0 0 315.377 0.584 50 0 DCAARN CC(=O)N1CCO[C@@H](CNc2ncccc2-c2ncon2)C1 ZINC000820570225 758146726 /nfs/dbraw/zinc/14/67/26/758146726.db2.gz WICNAMXXLVJXCB-NSHDSACASA-N 0 0 303.322 0.791 50 0 DCAARN CC[C@@H](Cn1ccnc1)NC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC000822620011 758203332 /nfs/dbraw/zinc/20/33/32/758203332.db2.gz ZNHLRUMCCFDMEG-NSHDSACASA-N 0 0 305.338 0.049 50 0 DCAARN COC[C@H]1CCCN1S(=O)(=O)NCc1csc(N)n1 ZINC000824371010 758770651 /nfs/dbraw/zinc/77/06/51/758770651.db2.gz LRZMQDQNMQYFBM-SECBINFHSA-N 0 0 306.413 0.171 50 0 DCAARN COC[C@@H]1CCCN1S(=O)(=O)NCCc1nccs1 ZINC000824371077 758772211 /nfs/dbraw/zinc/77/22/11/758772211.db2.gz TYALXJQANJSPFB-JTQLQIEISA-N 0 0 305.425 0.631 50 0 DCAARN COCCCn1cnnc1CNS(=O)(=O)N1CCCCC1 ZINC000824396959 758772215 /nfs/dbraw/zinc/77/22/15/758772215.db2.gz XDDBAGOZYSSBGS-UHFFFAOYSA-N 0 0 317.415 0.135 50 0 DCAARN C/C=C/C(=O)N1CCC(N2CC(=O)N(CCOC)C2=O)CC1 ZINC000824411980 758773108 /nfs/dbraw/zinc/77/31/08/758773108.db2.gz XYHHMQAQNJZWIJ-ONEGZZNKSA-N 0 0 309.366 0.464 50 0 DCAARN CO[C@H]1COC[C@@H]1NC(=O)c1cnc(-c2cccnc2)nc1C ZINC000824506880 758777941 /nfs/dbraw/zinc/77/79/41/758777941.db2.gz YJLSZVSSVOUWKQ-KBPBESRZSA-N 0 0 314.345 0.991 50 0 DCAARN COc1cccc2c1OC[C@H](NC(=O)CCn1nnnc1C)C2 ZINC000824804700 758785136 /nfs/dbraw/zinc/78/51/36/758785136.db2.gz GWSISDOYIAGZCG-GFCCVEGCSA-N 0 0 317.349 0.500 50 0 DCAARN Cc1noc(CN2CCC(CNC(=O)c3cncn3C)CC2)n1 ZINC000825300478 758803535 /nfs/dbraw/zinc/80/35/35/758803535.db2.gz LBNUKERHPUVDET-UHFFFAOYSA-N 0 0 318.381 0.754 50 0 DCAARN Cc1ncsc1CCC(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000827823015 758887318 /nfs/dbraw/zinc/88/73/18/758887318.db2.gz FDGQLXFGPZGJND-UHFFFAOYSA-N 0 0 307.379 0.821 50 0 DCAARN O=C(CN1CCCC1=O)NC[C@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000827831796 758887424 /nfs/dbraw/zinc/88/74/24/758887424.db2.gz HXIVTJLUFIAKFV-CYBMUJFWSA-N 0 0 319.409 0.360 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(-c2cn[nH]c2)c1 ZINC000828172111 758937284 /nfs/dbraw/zinc/93/72/84/758937284.db2.gz MBGWJUVPSQGJBI-ZDUSSCGKSA-N 0 0 305.359 0.994 50 0 DCAARN COCCN1CCOC[C@H]2CCN(C(=O)c3ccncc3)C[C@H]21 ZINC000581782125 760249873 /nfs/dbraw/zinc/24/98/73/760249873.db2.gz XBZGXKHAVBPDSD-HZPDHXFCSA-N 0 0 319.405 0.891 50 0 DCAARN CCn1nccc1C(=O)N1CC[C@H](CC(=O)N2CCOCC2)C1 ZINC000581783245 760249980 /nfs/dbraw/zinc/24/99/80/760249980.db2.gz XUYOJQAZVWGKEY-CYBMUJFWSA-N 0 0 320.393 0.614 50 0 DCAARN COCC(=O)N1CCC2(CC1)C[C@@H](CC(=O)N(C)C)CCO2 ZINC000581785955 760250065 /nfs/dbraw/zinc/25/00/65/760250065.db2.gz OAHQDNUTFKGOIR-CYBMUJFWSA-N 0 0 312.410 0.899 50 0 DCAARN O=C(N[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1CO)c1cccnc1 ZINC000581799312 760251163 /nfs/dbraw/zinc/25/11/63/760251163.db2.gz PSZLUEDILXFULH-ZIAGYGMSSA-N 0 0 303.362 0.431 50 0 DCAARN Cn1c2cccnc2n([C@@H]2CCN(C(=O)c3cnccn3)C2)c1=O ZINC000581796483 760253909 /nfs/dbraw/zinc/25/39/09/760253909.db2.gz OOSMWCNRAGUPGL-LLVKDONJSA-N 0 0 324.344 0.612 50 0 DCAARN CN(C)C(=O)c1cn(C2CN(C(=O)CC3CCCC3)C2)nn1 ZINC000581810735 760255291 /nfs/dbraw/zinc/25/52/91/760255291.db2.gz RUECLSFGJYBIQY-UHFFFAOYSA-N 0 0 305.382 0.944 50 0 DCAARN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cccc(C(N)=O)n1 ZINC000585084984 766270672 /nfs/dbraw/zinc/27/06/72/766270672.db2.gz WMQPMZOZUREHMK-BXUZGUMPSA-N 0 0 318.377 0.116 50 0 DCAARN COC(=O)C1(S(=O)(=O)NCC(C)(C)CCCO)CCC1 ZINC000585115928 766284962 /nfs/dbraw/zinc/28/49/62/766284962.db2.gz ZVJAJWUHEUXPDB-UHFFFAOYSA-N 0 0 307.412 0.800 50 0 DCAARN Cc1c(C)c(N(C)C[C@@H](O)CN2CCOCC2)nnc1Cl ZINC000585118243 766285892 /nfs/dbraw/zinc/28/58/92/766285892.db2.gz IABYSYIZIVVFTC-GFCCVEGCSA-N 0 0 314.817 0.876 50 0 DCAARN Cn1ccc(C(=O)N[C@@H]2C[C@H](C(=O)OC(C)(C)C)C[C@H]2O)n1 ZINC000585126593 766289802 /nfs/dbraw/zinc/28/98/02/766289802.db2.gz CNYNOBNIDLIQBJ-MVWJERBFSA-N 0 0 309.366 0.631 50 0 DCAARN COCCn1cc(NC(=O)CCN2C(=O)C(C)=C(C)C2=O)cn1 ZINC000585129461 766290911 /nfs/dbraw/zinc/29/09/11/766290911.db2.gz KIXLKLQUALBPJM-UHFFFAOYSA-N 0 0 320.349 0.563 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@@H](CNC(=O)C2(C)CC2)C1 ZINC000952860147 768921037 /nfs/dbraw/zinc/92/10/37/768921037.db2.gz GJHRWQRFGFSMOB-NSHDSACASA-N 0 0 303.428 0.421 50 0 DCAARN C[C@H]1CCCC[C@H]1CC(=O)NCCc1nnc2n1CCNC2=O ZINC000952884236 768952122 /nfs/dbraw/zinc/95/21/22/768952122.db2.gz WGJMQDLZZZHPTJ-RYUDHWBXSA-N 0 0 319.409 0.897 50 0 DCAARN Cc1ccccc1[C@@H]1[C@@H](C(=O)NCC(C)(C)O)OCC(=O)N1C ZINC001529100749 1014494823 /nfs/dbraw/zinc/49/48/23/1014494823.db2.gz YYRDYSBJVZISIH-CABCVRRESA-N 0 0 320.389 0.780 50 0 DCAARN CCn1cnnc1CCNc1cncc(C(=O)N2CCCC2)n1 ZINC001529119374 1014499352 /nfs/dbraw/zinc/49/93/52/1014499352.db2.gz VNUQAXZTEZRLCD-UHFFFAOYSA-N 0 0 315.381 0.979 50 0 DCAARN Cc1nnnn1CCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 ZINC001529120791 1014499618 /nfs/dbraw/zinc/49/96/18/1014499618.db2.gz KHTFJIWGPRGVEL-ZIAGYGMSSA-N 0 0 316.365 0.141 50 0 DCAARN COCC[N@@H+]1CC[C@@H](CN(C)c2nccc(NCC(=O)[O-])n2)C1 ZINC001529168792 1014510691 /nfs/dbraw/zinc/51/06/91/1014510691.db2.gz LVKOHJFPJMTPAU-LBPRGKRZSA-N 0 0 323.397 0.378 50 0 DCAARN Cc1nnc(CN2CCN(CC(=O)NC(C)(C)C)CC2)s1 ZINC001529189338 1014517607 /nfs/dbraw/zinc/51/76/07/1014517607.db2.gz MNOWECSAZUSHSX-UHFFFAOYSA-N 0 0 311.455 0.879 50 0 DCAARN Cc1ccccc1[C@@H]1[C@@H](C(=O)NCCCO)OCC(=O)N1C ZINC001529189324 1014517690 /nfs/dbraw/zinc/51/76/90/1014517690.db2.gz LXOYJBBQSIOLIH-CABCVRRESA-N 0 0 306.362 0.392 50 0 DCAARN C[C@@]1(NC(=O)/C=C/c2cc(CO)cs2)CCS(=O)(=O)C1 ZINC001506398800 1017252894 /nfs/dbraw/zinc/25/28/94/1017252894.db2.gz GELGUKRBNDLFLY-YWVDXFKGSA-N 0 0 315.416 0.947 50 0 DCAARN Clc1cnn(CCN2CCN(CCn3cncn3)CC2)c1 ZINC001506398079 1017253424 /nfs/dbraw/zinc/25/34/24/1017253424.db2.gz JSHYZUOGIJCCCI-UHFFFAOYSA-N 0 0 309.805 0.446 50 0 DCAARN CC1(C)CC(CC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])CC(C)(C)[NH2+]1 ZINC001506395375 1017253676 /nfs/dbraw/zinc/25/36/76/1017253676.db2.gz GVEZETBHSZYFJV-NEPJUHHUSA-N 0 0 312.410 0.980 50 0 DCAARN COC[C@H](c1ccccn1)N(C)CCCS(=O)(=O)N(C)C ZINC001506399539 1017255202 /nfs/dbraw/zinc/25/52/02/1017255202.db2.gz AJCNUHWZWKNOOH-CQSZACIVSA-N 0 0 315.439 0.982 50 0 DCAARN CCN(CCCCO)S(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC001506409623 1017259109 /nfs/dbraw/zinc/25/91/09/1017259109.db2.gz IXYJGGQVSBGPTH-UHFFFAOYSA-N 0 0 314.407 0.829 50 0 DCAARN COCCn1cnnc1[C@H](C)Nc1nnnn1-c1ccccc1 ZINC001506421053 1017265531 /nfs/dbraw/zinc/26/55/31/1017265531.db2.gz DSJCCUXPMDYSIJ-NSHDSACASA-N 0 0 314.353 0.495 50 0 DCAARN Cc1cc(C(=O)[O-])nc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC001506419500 1017265886 /nfs/dbraw/zinc/26/58/86/1017265886.db2.gz DCFGKELFWSQFHG-LLVKDONJSA-N 0 0 321.381 0.483 50 0 DCAARN C[C@H]1c2cccn2CCN1C(=O)Cc1c[nH]c(=O)n(C)c1=O ZINC001506427315 1017269249 /nfs/dbraw/zinc/26/92/49/1017269249.db2.gz LXHIEZFIWXUDHY-JTQLQIEISA-N 0 0 302.334 0.433 50 0 DCAARN CCS(=O)(=O)[C@H](C)C(=O)N1CCNC(=O)C12CCCC2 ZINC001506399628 1017255644 /nfs/dbraw/zinc/25/56/44/1017255644.db2.gz ICHZYODPNVPMEB-SNVBAGLBSA-N 0 0 302.396 0.081 50 0 DCAARN CCN1CCN(C(=O)c2ccc(-n3nnnc3C)cc2)CC1 ZINC000095473462 185372975 /nfs/dbraw/zinc/37/29/75/185372975.db2.gz KOVHWAMJHAFGRN-UHFFFAOYSA-N 0 0 300.366 0.748 50 0 DCAARN COCc1noc(CN2CC(=O)N(C)c3ccccc3C2=O)n1 ZINC000095511773 185376097 /nfs/dbraw/zinc/37/60/97/185376097.db2.gz FJLISEWNKDCELD-UHFFFAOYSA-N 0 0 316.317 0.835 50 0 DCAARN COc1ccc(Cc2nc(Cn3cnnn3)n(C)n2)cc1OC ZINC000095527077 185377991 /nfs/dbraw/zinc/37/79/91/185377991.db2.gz VOZTWYKJMDHSBW-UHFFFAOYSA-N 0 0 315.337 0.458 50 0 DCAARN COc1ccccc1CNC(=O)C(=O)NCC[C@H](O)C1CC1 ZINC000077108381 185108790 /nfs/dbraw/zinc/10/87/90/185108790.db2.gz ULQCCUJGYOTIJW-ZDUSSCGKSA-N 0 0 306.362 0.589 50 0 DCAARN CCC[C@@H]1CN(CC(=O)NC2CC2)CCN1CC(=O)NC1CC1 ZINC000079058951 185151335 /nfs/dbraw/zinc/15/13/35/185151335.db2.gz UXTWKYYAZYMXID-OAHLLOKOSA-N 0 0 322.453 0.330 50 0 DCAARN CC[C@H](NC(=O)C(C)(C)N1CCOCC1)c1ncnn1CC ZINC000299800542 529468797 /nfs/dbraw/zinc/46/87/97/529468797.db2.gz WSNLDJJLRVRKHZ-LBPRGKRZSA-N 0 0 309.414 0.976 50 0 DCAARN CN(C)c1ccc(O[C@H]2CCN(C(=O)N3CCNC3=O)C2)nn1 ZINC000225449821 201711384 /nfs/dbraw/zinc/71/13/84/201711384.db2.gz VZDHEXQEUHDEQP-JTQLQIEISA-N 0 0 320.353 0.141 50 0 DCAARN C[C@H](C(=O)Nc1c[nH]cc(Br)c1=O)n1cncn1 ZINC000089990573 185275281 /nfs/dbraw/zinc/27/52/81/185275281.db2.gz OVWRVBONQMBZRK-ZCFIWIBFSA-N 0 0 312.127 0.929 50 0 DCAARN CCCN(CC(=O)OC)C(=O)CCn1nc2ccccn2c1=O ZINC000089958851 185271731 /nfs/dbraw/zinc/27/17/31/185271731.db2.gz OWQVTFZOUANJKG-UHFFFAOYSA-N 0 0 320.349 0.298 50 0 DCAARN O=C(Nc1ccc(-n2cnnn2)cc1)c1cnn2c1OCCC2 ZINC000090583717 185305145 /nfs/dbraw/zinc/30/51/45/185305145.db2.gz HQFCGVIJKMQGAL-UHFFFAOYSA-N 0 0 311.305 0.894 50 0 DCAARN CS(=O)(=O)N1CCN(c2cc(-n3cccc3)ncn2)CC1 ZINC000090607850 185306450 /nfs/dbraw/zinc/30/64/50/185306450.db2.gz NMOOJEAHFUBAGF-UHFFFAOYSA-N 0 0 307.379 0.349 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc(NCC2CC2)nc1 ZINC000286604268 219077930 /nfs/dbraw/zinc/07/79/30/219077930.db2.gz AWSXEFWLNRGKRA-NEPJUHHUSA-N 0 0 306.341 0.941 50 0 DCAARN COc1ccc(CCC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)[O-])cc1OC ZINC000082120427 192358533 /nfs/dbraw/zinc/35/85/33/192358533.db2.gz GZIWAHSSITXJOT-RYUDHWBXSA-N 0 0 322.361 0.649 50 0 DCAARN CSCC(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2 ZINC000082137692 192360922 /nfs/dbraw/zinc/36/09/22/192360922.db2.gz XEMVVRPFWXTQNR-UHFFFAOYSA-N 0 0 311.411 0.360 50 0 DCAARN Cc1ccccc1OCC(=O)N1CCN([C@H]2CCOC2=O)CC1 ZINC000095394260 185352094 /nfs/dbraw/zinc/35/20/94/185352094.db2.gz OPYOAGNSPOORDK-AWEZNQCLSA-N 0 0 318.373 0.834 50 0 DCAARN CCOC(=O)C1(C(=O)N(C)CC(=O)Nc2cc(C)on2)CC1 ZINC000095402764 185354991 /nfs/dbraw/zinc/35/49/91/185354991.db2.gz YHKCVGUTSWFSEV-UHFFFAOYSA-N 0 0 309.322 0.723 50 0 DCAARN C[C@H](c1ccccc1)[C@H](CO)NS(=O)(=O)c1cnn(C)c1 ZINC000095433097 185363734 /nfs/dbraw/zinc/36/37/34/185363734.db2.gz FBCHZEAAHZEUES-RISCZKNCSA-N 0 0 309.391 0.863 50 0 DCAARN O=C([C@H]1CCO1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000095445111 185367338 /nfs/dbraw/zinc/36/73/38/185367338.db2.gz ZHJSPUIAWFGETP-CQSZACIVSA-N 0 0 324.402 0.745 50 0 DCAARN Cc1nn(C)c2nc(C)nc(N3[C@@H]4CC[C@H]3CNC(=O)C4)c12 ZINC000072426604 282285166 /nfs/dbraw/zinc/28/51/66/282285166.db2.gz AXWGPRAUEFZGIB-MNOVXSKESA-N 0 0 300.366 0.837 50 0 DCAARN COC(=O)[C@@H](O)CNC(=O)c1ccc(OC(F)F)c(OC)c1 ZINC000095448399 185368156 /nfs/dbraw/zinc/36/81/56/185368156.db2.gz VPDVMVHZGORXBU-QMMMGPOBSA-N 0 0 319.260 0.560 50 0 DCAARN O=C(NC[C@@H]1COC2(CCCC2)O1)N[C@@H]1CCS(=O)(=O)C1 ZINC000095459419 185370607 /nfs/dbraw/zinc/37/06/07/185370607.db2.gz CDKVLHDEMUPYMR-GHMZBOCLSA-N 0 0 318.395 0.158 50 0 DCAARN Cc1c(S(=O)(=O)NC(C)(C)CO)cnn1-c1ccccn1 ZINC000095461771 185370899 /nfs/dbraw/zinc/37/08/99/185370899.db2.gz YETWGDMDQGJHCA-UHFFFAOYSA-N 0 0 310.379 0.625 50 0 DCAARN NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccccc1F ZINC000095461748 185370978 /nfs/dbraw/zinc/37/09/78/185370978.db2.gz PTDOYEUOMVGEDT-VIFPVBQESA-N 0 0 304.368 0.417 50 0 DCAARN O=C(NCCN1CCOCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000097016347 185397575 /nfs/dbraw/zinc/39/75/75/185397575.db2.gz ZAPULQDBNHIBSJ-HOCLYGCPSA-N 0 0 311.426 0.655 50 0 DCAARN CC(C)(C)[C@H](NC(=O)Nc1ccc(C(N)=O)c(F)c1)C(N)=O ZINC000170591709 197779951 /nfs/dbraw/zinc/77/99/51/197779951.db2.gz ARBWWIUYTWUAPU-SNVBAGLBSA-N 0 0 310.329 0.946 50 0 DCAARN O=C(CNC(=O)OCc1ccccc1)N1CCCS1(=O)=O ZINC000067798106 190721905 /nfs/dbraw/zinc/72/19/05/190721905.db2.gz NCKNKTSWHNHIHH-UHFFFAOYSA-N 0 0 312.347 0.475 50 0 DCAARN C[C@H](CNC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)Cn1cccn1 ZINC000230166976 201869259 /nfs/dbraw/zinc/86/92/59/201869259.db2.gz KQLPTBKODVSGLH-MGPQQGTHSA-N 0 0 319.409 0.972 50 0 DCAARN C[C@H](Cc1cccc(F)c1)C(=O)O[C@H]1CC(=O)N(CC(N)=O)C1 ZINC000069967872 190844418 /nfs/dbraw/zinc/84/44/18/190844418.db2.gz SEVBBIUZNJYBMB-MFKMUULPSA-N 0 0 322.336 0.634 50 0 DCAARN C[C@H]1CN(CCN2CCS(=O)(=O)c3ccccc3C2)CCO1 ZINC000192804534 290850585 /nfs/dbraw/zinc/85/05/85/290850585.db2.gz CKOSCUYOIOAPCT-AWEZNQCLSA-N 0 0 324.446 0.997 50 0 DCAARN CNS(=O)(=O)CC(=O)NCCc1ccc(F)cc1Cl ZINC000083610191 192375531 /nfs/dbraw/zinc/37/55/31/192375531.db2.gz GTRMKEJOJZHCSG-UHFFFAOYSA-N 0 0 308.762 0.687 50 0 DCAARN CCCn1c2cc(OC)c(OC)cc2c(=O)n(CCO)c1=O ZINC000071283692 190952595 /nfs/dbraw/zinc/95/25/95/190952595.db2.gz MOOXOWOYQHSWBN-UHFFFAOYSA-N 0 0 308.334 0.583 50 0 DCAARN C[C@@H](NC(=O)NCCC(N)=O)c1ccc(-n2cncn2)cc1 ZINC000071923484 191032736 /nfs/dbraw/zinc/03/27/36/191032736.db2.gz RATOBJSZXMNGPG-SNVBAGLBSA-N 0 0 302.338 0.503 50 0 DCAARN COC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(N)=O)cc1 ZINC000071846963 191030685 /nfs/dbraw/zinc/03/06/85/191030685.db2.gz YMTGKXFVHVZFLW-YSKGHYERSA-N 0 0 302.330 0.963 50 0 DCAARN CNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(OC)c1OC ZINC000072128388 191043438 /nfs/dbraw/zinc/04/34/38/191043438.db2.gz PDQODDCVTCTVCT-LBPRGKRZSA-N 0 0 321.377 0.140 50 0 DCAARN CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1C ZINC000072141685 191049709 /nfs/dbraw/zinc/04/97/09/191049709.db2.gz WIGHPZMAHMFOJF-AWEZNQCLSA-N 0 0 319.405 0.749 50 0 DCAARN NC(=O)c1noc(CN2CCCC[C@H]2CCN2CCOCC2)n1 ZINC000072153611 191057958 /nfs/dbraw/zinc/05/79/58/191057958.db2.gz RDTGJQYSJYCHNR-LBPRGKRZSA-N 0 0 323.397 0.245 50 0 DCAARN Cn1nnnc1SCCNC(=O)c1cnn2c1CCCC2 ZINC000072165924 191064648 /nfs/dbraw/zinc/06/46/48/191064648.db2.gz GLGFMSOVXQWGFV-UHFFFAOYSA-N 0 0 307.383 0.265 50 0 DCAARN Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1c[nH]c(=O)c(Cl)c1)C2 ZINC000072166384 191064884 /nfs/dbraw/zinc/06/48/84/191064884.db2.gz KBIFLXHUIJVVPX-UHFFFAOYSA-N 0 0 320.736 0.619 50 0 DCAARN O=C(CO)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000072167941 191067114 /nfs/dbraw/zinc/06/71/14/191067114.db2.gz WTHZQVUGZMVPQL-SNVBAGLBSA-N 0 0 316.279 0.915 50 0 DCAARN CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)cc1F ZINC000072168837 191068621 /nfs/dbraw/zinc/06/86/21/191068621.db2.gz MVPBSMGNBFNNHO-CYBMUJFWSA-N 0 0 309.341 0.271 50 0 DCAARN CN1CCN(S(=O)(=O)c2cnn(-c3ccccn3)c2)CC1 ZINC000072239005 191082317 /nfs/dbraw/zinc/08/23/17/191082317.db2.gz UCFOPIVHXGJAAN-UHFFFAOYSA-N 0 0 307.379 0.203 50 0 DCAARN COCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1 ZINC000072241734 191085086 /nfs/dbraw/zinc/08/50/86/191085086.db2.gz BCEFHZGDFRJOIQ-KGLIPLIRSA-N 0 0 310.325 0.487 50 0 DCAARN CCCn1nc(C(=O)N2CCC[C@H](n3cncn3)C2)ccc1=O ZINC000072272244 191094185 /nfs/dbraw/zinc/09/41/85/191094185.db2.gz GXXVLZYDUCLWBT-LBPRGKRZSA-N 0 0 316.365 0.722 50 0 DCAARN O=C(NCCCN1C(=O)CNC1=O)c1cc2c(cccc2F)[nH]1 ZINC000072273272 191095395 /nfs/dbraw/zinc/09/53/95/191095395.db2.gz UWBPQVOIBHKJLQ-UHFFFAOYSA-N 0 0 318.308 0.979 50 0 DCAARN C[C@@H](C(=O)N1CCCN(Cc2cnn(C)c2)CC1)n1cccn1 ZINC000072279827 191101679 /nfs/dbraw/zinc/10/16/79/191101679.db2.gz DZRPEZNJGYWHEM-AWEZNQCLSA-N 0 0 316.409 0.912 50 0 DCAARN Cc1nc2n(n1)CCN(C(=O)Nc1cnc(N(C)C)nc1)C2 ZINC000253398364 186306440 /nfs/dbraw/zinc/30/64/40/186306440.db2.gz LKODDOSNUQDUES-UHFFFAOYSA-N 0 0 302.342 0.490 50 0 DCAARN O=C(Cn1ccc2ccccc21)N1CC(N2C(=O)COC2=O)C1 ZINC000253401819 186307031 /nfs/dbraw/zinc/30/70/31/186307031.db2.gz NNJXJAKADVDMNG-UHFFFAOYSA-N 0 0 313.313 0.831 50 0 DCAARN C[C@@H](NC(=O)C(=O)NC[C@H](C)N1CCOCC1)c1cccnc1 ZINC000253408140 186308111 /nfs/dbraw/zinc/30/81/11/186308111.db2.gz XDRWIEDJVYBYGC-QWHCGFSZSA-N 0 0 320.393 0.096 50 0 DCAARN C[C@H](CNC(=O)C(=O)N[C@@H](C)c1cccnc1)N1CCOCC1 ZINC000253408136 186308460 /nfs/dbraw/zinc/30/84/60/186308460.db2.gz XDRWIEDJVYBYGC-OLZOCXBDSA-N 0 0 320.393 0.096 50 0 DCAARN CC[C@@]1(O)CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C[C@H]1O ZINC000072426939 191161175 /nfs/dbraw/zinc/16/11/75/191161175.db2.gz MXEWSGNVQGLBFJ-GDBMZVCRSA-N 0 0 316.361 0.820 50 0 DCAARN CNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000000108868 180696531 /nfs/dbraw/zinc/69/65/31/180696531.db2.gz GQMUDZQJGKGHHP-UHFFFAOYSA-N 0 0 302.352 0.070 50 0 DCAARN Cc1cccn2c(CNC(=O)[C@@H]3NCCc4nc[nH]c43)cnc12 ZINC000072453614 191171317 /nfs/dbraw/zinc/17/13/17/191171317.db2.gz PZENNNMXOUYVDW-CQSZACIVSA-N 0 0 310.361 0.869 50 0 DCAARN Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(C(=O)CCO)C1 ZINC000072479477 191180063 /nfs/dbraw/zinc/18/00/63/191180063.db2.gz KDBOTGJLEOBATD-CYBMUJFWSA-N 0 0 321.425 0.499 50 0 DCAARN COc1ccc(CN2C[C@@H](C(=O)N3CCOCC3)CC2=O)cc1 ZINC000000220261 180730758 /nfs/dbraw/zinc/73/07/58/180730758.db2.gz NZUXXRWXJZUREE-AWEZNQCLSA-N 0 0 318.373 0.903 50 0 DCAARN COC(=O)[C@H](C)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000173983212 198275891 /nfs/dbraw/zinc/27/58/91/198275891.db2.gz KVWHRTXZGVXQDR-ZDUSSCGKSA-N 0 0 319.405 0.977 50 0 DCAARN COC(=O)c1ccn(CSc2nnc(C(F)(F)F)n2N)n1 ZINC000002554030 180934725 /nfs/dbraw/zinc/93/47/25/180934725.db2.gz XLGAUXYTSPJOCL-UHFFFAOYSA-N 0 0 322.272 0.744 50 0 DCAARN CCn1cc(CNC(=O)Cn2nnc(-c3ccccc3)n2)cn1 ZINC000002787772 180957634 /nfs/dbraw/zinc/95/76/34/180957634.db2.gz RCWMEVKLMJLTPG-UHFFFAOYSA-N 0 0 311.349 0.873 50 0 DCAARN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000002803935 180959803 /nfs/dbraw/zinc/95/98/03/180959803.db2.gz RHTYVJYAVHFCDW-SNVBAGLBSA-N 0 0 301.368 0.384 50 0 DCAARN CSCC[C@@H]1NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O ZINC000003307352 181003133 /nfs/dbraw/zinc/00/31/33/181003133.db2.gz JDEJGLFLTXKNIX-QMMMGPOBSA-N 0 0 312.351 0.595 50 0 DCAARN NC(=O)c1c2c(sc1NC(=O)CN1C(=O)CCC1=O)CCC2 ZINC000003377215 181012854 /nfs/dbraw/zinc/01/28/54/181012854.db2.gz KHBZGSPGIADNNV-UHFFFAOYSA-N 0 0 321.358 0.423 50 0 DCAARN O=C(Cn1ncc(Cl)c(Cl)c1=O)NC[C@@H]1CCCO1 ZINC000003344027 181009383 /nfs/dbraw/zinc/00/93/83/181009383.db2.gz MDWFPVJSBLOJOK-ZETCQYMHSA-N 0 0 306.149 0.845 50 0 DCAARN O=C(COc1nncc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 ZINC000003349849 181009737 /nfs/dbraw/zinc/00/97/37/181009737.db2.gz IJLMSLGIEXKCDK-LLVKDONJSA-N 0 0 321.358 0.312 50 0 DCAARN C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)N1CCNC(=O)C1 ZINC000003350474 181010035 /nfs/dbraw/zinc/01/00/35/181010035.db2.gz SNYUKMMZCQSXHR-ZETCQYMHSA-N 0 0 301.268 0.863 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCCC2)cc1 ZINC000003346944 181010107 /nfs/dbraw/zinc/01/01/07/181010107.db2.gz GVNBGLMWZHZNAG-UHFFFAOYSA-N 0 0 311.407 0.971 50 0 DCAARN C[C@H]1CN(C(=O)COC(=O)c2ccc(O)cc2O)C[C@H](C)O1 ZINC000003417920 181017175 /nfs/dbraw/zinc/01/71/75/181017175.db2.gz LZWWFWJHOLVALU-UWVGGRQHSA-N 0 0 309.318 0.890 50 0 DCAARN NC(=O)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000003431530 181019081 /nfs/dbraw/zinc/01/90/81/181019081.db2.gz FCIAJEOAPRSYTD-UHFFFAOYSA-N 0 0 305.315 0.543 50 0 DCAARN COc1ccc(NC(=O)COC(=O)c2nccnc2N)cc1 ZINC000003507931 181027725 /nfs/dbraw/zinc/02/77/25/181027725.db2.gz IWLNFPYOBKRLIW-UHFFFAOYSA-N 0 0 302.290 0.863 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004071310 181070011 /nfs/dbraw/zinc/07/00/11/181070011.db2.gz CEIRLAPLCMSOEO-SECBINFHSA-N 0 0 305.377 0.161 50 0 DCAARN COc1ccc(-n2nnc3c2ncnc3SCC(N)=O)cc1 ZINC000004166740 181081282 /nfs/dbraw/zinc/08/12/82/181081282.db2.gz YEJQNQFZABFJNA-UHFFFAOYSA-N 0 0 316.346 0.797 50 0 DCAARN CCN1CCN(CC(=O)Nc2cc(C)cc(C)c2)C(=O)C1=O ZINC000004326268 181098129 /nfs/dbraw/zinc/09/81/29/181098129.db2.gz MWHBPDIXUQQZEP-UHFFFAOYSA-N 0 0 303.362 0.933 50 0 DCAARN CC(=O)NCCC(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000004339287 181099749 /nfs/dbraw/zinc/09/97/49/181099749.db2.gz MCOJIAODGHLKLO-SECBINFHSA-N 0 0 321.333 0.182 50 0 DCAARN Cc1cccc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C ZINC000004338529 181099770 /nfs/dbraw/zinc/09/97/70/181099770.db2.gz BNDUBVMDLVQEHG-UHFFFAOYSA-N 0 0 324.358 0.469 50 0 DCAARN COc1ccccc1NC(=O)CSc1nncc(=O)n1N ZINC000004338110 181100091 /nfs/dbraw/zinc/10/00/91/181100091.db2.gz DWGKTEAZSPIGPB-UHFFFAOYSA-N 0 0 307.335 0.092 50 0 DCAARN CCOC(=O)c1ccccc1NC(=O)C[C@H]1NCCNC1=O ZINC000004539072 181121797 /nfs/dbraw/zinc/12/17/97/181121797.db2.gz OIPAFJCKSWLIMI-GFCCVEGCSA-N 0 0 305.334 0.280 50 0 DCAARN C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NC1CC1 ZINC000004493135 181114126 /nfs/dbraw/zinc/11/41/26/181114126.db2.gz GLCZCNQOYLJYNG-VIFPVBQESA-N 0 0 315.329 0.676 50 0 DCAARN CCOc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004505425 181117093 /nfs/dbraw/zinc/11/70/93/181117093.db2.gz VDIFGBZKROIMCQ-JTQLQIEISA-N 0 0 319.404 0.551 50 0 DCAARN CCOC(=O)CCC(NC(C)=O)(C(=O)OCC)C(=O)OCC ZINC000004692508 181137924 /nfs/dbraw/zinc/13/79/24/181137924.db2.gz OAPFUEPIOHIREJ-UHFFFAOYSA-N 0 0 317.338 0.331 50 0 DCAARN COC(=O)[C@H](C)NC(=O)CN(C)C(=O)OCc1ccccc1 ZINC000004764215 181149921 /nfs/dbraw/zinc/14/99/21/181149921.db2.gz HTNQRBDUKKGRFY-NSHDSACASA-N 0 0 308.334 0.933 50 0 DCAARN COC(=O)CCNC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000002149749 291042805 /nfs/dbraw/zinc/04/28/05/291042805.db2.gz POUHBDQHVOKRRI-NWDGAFQWSA-N 0 0 319.361 0.540 50 0 biogenic DCAARN COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3ncnn32)c1 ZINC000004815660 181156253 /nfs/dbraw/zinc/15/62/53/181156253.db2.gz UYBYGCNNDPDOHQ-SNVBAGLBSA-N 0 0 317.305 0.817 50 0 DCAARN C[C@@H](O)Cn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004911632 181172204 /nfs/dbraw/zinc/17/22/04/181172204.db2.gz DLTJJYZFXJYNGE-SECBINFHSA-N 0 0 321.381 0.549 50 0 DCAARN CC[C@H](Sc1ccnc2c1c(=O)n(C)c(=O)n2C)C(=O)OC ZINC000004942227 181176199 /nfs/dbraw/zinc/17/61/99/181176199.db2.gz VWTVUXVLEZWMRD-QMMMGPOBSA-N 0 0 323.374 0.676 50 0 DCAARN CN(Cc1ccccc1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1 ZINC000005012179 181190596 /nfs/dbraw/zinc/19/05/96/181190596.db2.gz JBNWQZWBRCKWBY-LBPRGKRZSA-N 0 0 303.405 0.635 50 0 DCAARN C[C@H](Sc1nc2ccccc2c(=O)n1CCCO)C(N)=O ZINC000005040377 181195613 /nfs/dbraw/zinc/19/56/13/181195613.db2.gz YLPGMJZNKCXGOW-VIFPVBQESA-N 0 0 307.375 0.745 50 0 DCAARN Cn1c2ncn(CCCOc3ccccc3)c2c(=O)n(C)c1=O ZINC000005117850 181205010 /nfs/dbraw/zinc/20/50/10/181205010.db2.gz LOHWCKXEEUMXRC-UHFFFAOYSA-N 0 0 314.345 0.903 50 0 DCAARN COCCNC(=O)CSc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000005155141 181210632 /nfs/dbraw/zinc/21/06/32/181210632.db2.gz DTLWFKCXWSOPJO-UHFFFAOYSA-N 0 0 311.285 0.643 50 0 DCAARN O=C(Cn1cnc2c(cnn2CCO)c1=O)NC1CCCCC1 ZINC000005271299 181225170 /nfs/dbraw/zinc/22/51/70/181225170.db2.gz WFJABFFZONKSEZ-UHFFFAOYSA-N 0 0 319.365 0.034 50 0 DCAARN Nn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1ccco1 ZINC000005335913 181230791 /nfs/dbraw/zinc/23/07/91/181230791.db2.gz LTINWICDBPCDDI-VIFPVBQESA-N 0 0 323.378 0.639 50 0 DCAARN COCC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1OC ZINC000005339378 181231623 /nfs/dbraw/zinc/23/16/23/181231623.db2.gz DWUPTMXPAYIHLK-UHFFFAOYSA-N 0 0 314.363 0.820 50 0 DCAARN CCOc1ccccc1C(=O)NCc1cc(=O)n(C)c(=O)n1C ZINC000005489145 181249121 /nfs/dbraw/zinc/24/91/21/181249121.db2.gz TWYJJJKOPNVTLO-UHFFFAOYSA-N 0 0 317.345 0.413 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)Sc1nnnn1-c1ccccc1 ZINC000005652125 181268069 /nfs/dbraw/zinc/26/80/69/181268069.db2.gz IXNWUKWYQRLHPI-MRVPVSSYSA-N 0 0 306.351 0.599 50 0 DCAARN CCn1nnc2cc(C(=O)OCC(=O)N3CCCC3=O)ccc21 ZINC000005805092 181285301 /nfs/dbraw/zinc/28/53/01/181285301.db2.gz RGZSZTQDVXRLDO-UHFFFAOYSA-N 0 0 316.317 0.757 50 0 DCAARN Cc1ccc(C(C)C)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 ZINC000005765311 181282347 /nfs/dbraw/zinc/28/23/47/181282347.db2.gz GKQGIQVSMCHAFX-IBEHDNSVSA-N 0 0 312.362 0.297 50 0 biogenic,in-vitro DCAARN C[C@H](C(=O)[O-])[NH+]1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000237353112 202242097 /nfs/dbraw/zinc/24/20/97/202242097.db2.gz HUZUPFURXAVDFW-MCIONIFRSA-N 0 0 311.426 0.772 50 0 DCAARN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1COCCN1)CC2 ZINC000237407671 202256747 /nfs/dbraw/zinc/25/67/47/202256747.db2.gz QWFCRJQJCAOPPK-ZDUSSCGKSA-N 0 0 306.362 0.577 50 0 DCAARN Cc1ccoc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000124786803 236949567 /nfs/dbraw/zinc/94/95/67/236949567.db2.gz ZQTAMZBGVGIEAW-UHFFFAOYSA-N 0 0 300.380 0.989 50 0 DCAARN CCN(C)C(=O)[C@H](C)NC(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000187952568 200181988 /nfs/dbraw/zinc/18/19/88/200181988.db2.gz QJJXQGDQINUJQH-LBPRGKRZSA-N 0 0 322.413 0.119 50 0 DCAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1ccccn1 ZINC000089883756 192892716 /nfs/dbraw/zinc/89/27/16/192892716.db2.gz NOMMUZMTGDQHSG-UHFFFAOYSA-N 0 0 303.318 0.989 50 0 DCAARN O=c1[nH]c2ccsc2c(=O)n1CCNS(=O)(=O)C1CC1 ZINC000238826371 238157612 /nfs/dbraw/zinc/15/76/12/238157612.db2.gz DVULRBKYXOSGCX-UHFFFAOYSA-N 0 0 315.376 0.245 50 0 DCAARN Cc1c[nH]cc1C(=O)N1CCCC[C@H]1CNS(N)(=O)=O ZINC000566094004 291268891 /nfs/dbraw/zinc/26/88/91/291268891.db2.gz RLVDXLMITQIWDK-JTQLQIEISA-N 0 0 300.384 0.111 50 0 DCAARN O=C([C@@H]1CCS(=O)(=O)C1)N1CCCC2(CCOCC2)C1 ZINC000377817775 296041274 /nfs/dbraw/zinc/04/12/74/296041274.db2.gz BPKJVUSSIJFMLI-GFCCVEGCSA-N 0 0 301.408 0.840 50 0 DCAARN CC1=NN(C(=O)c2ccn(Cn3cccn3)n2)[C@](O)(C(F)F)C1 ZINC000006394754 181337197 /nfs/dbraw/zinc/33/71/97/181337197.db2.gz NCZIOKBRYLGEKR-CYBMUJFWSA-N 0 0 324.291 0.761 50 0 DCAARN Cn1ncnc1S(=O)(=O)Cc1nc(-c2cccs2)n[nH]1 ZINC000195059962 201334307 /nfs/dbraw/zinc/33/43/07/201334307.db2.gz LBKWMEBIKSTLGE-UHFFFAOYSA-N 0 0 310.364 0.636 50 0 DCAARN COCCN(CCOC)C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000006657616 181366683 /nfs/dbraw/zinc/36/66/83/181366683.db2.gz LJTQUPIIIFKXGG-UHFFFAOYSA-N 0 0 319.361 0.587 50 0 DCAARN Cn1c(=O)c2sccc2n(CC(=O)NC[C@H]2CCCO2)c1=O ZINC000006679515 181370079 /nfs/dbraw/zinc/37/00/79/181370079.db2.gz DMKRCNIHZOUCMW-SECBINFHSA-N 0 0 323.374 0.057 50 0 DCAARN COc1ccc([C@H](O)CNC(=O)C(=O)NC(C)(C)C)cc1OC ZINC000211089039 201439391 /nfs/dbraw/zinc/43/93/91/201439391.db2.gz KVSVOMVILFMDBG-LLVKDONJSA-N 0 0 324.377 0.768 50 0 DCAARN O=C([O-])CC[C@@H]1CN(Cc2c[nH]cn2)CC[C@@H]1[NH+]1CCOCC1 ZINC000091365131 193046501 /nfs/dbraw/zinc/04/65/01/193046501.db2.gz FQKPMZNNYKMNOM-HIFRSBDPSA-N 0 0 322.409 0.797 50 0 DCAARN COc1ccc2c(c1)C[C@H](C(=O)NCCN1CCNC1=O)CO2 ZINC000091433803 193055443 /nfs/dbraw/zinc/05/54/43/193055443.db2.gz ZYOMLLBQKJCNPB-LBPRGKRZSA-N 0 0 319.361 0.388 50 0 DCAARN O=S(=O)(CCn1cc([C@H]2CCOC2)nn1)N1CCCC1 ZINC000091440708 193055708 /nfs/dbraw/zinc/05/57/08/193055708.db2.gz YGNAWTWYJCGIIF-NSHDSACASA-N 0 0 300.384 0.208 50 0 DCAARN Cc1n[nH]c(C)c1CCCN(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000091595957 193077934 /nfs/dbraw/zinc/07/79/34/193077934.db2.gz VXCHMLFZLUINBG-LBPRGKRZSA-N 0 0 321.381 0.406 50 0 DCAARN CC(C)Cc1cc(C(=O)NCCSc2nnnn2C)on1 ZINC000091604040 193078744 /nfs/dbraw/zinc/07/87/44/193078744.db2.gz AASLMXZAPAMLHZ-UHFFFAOYSA-N 0 0 310.383 0.919 50 0 DCAARN Cc1nccc(N[C@H]2CN(CCS(C)(=O)=O)C[C@@H]2C2CC2)n1 ZINC000091494342 193063930 /nfs/dbraw/zinc/06/39/30/193063930.db2.gz IHMIUBGHIRXRCW-KGLIPLIRSA-N 0 0 324.450 0.952 50 0 DCAARN CN(Cc1noc(C2CCC2)n1)C(=O)CC[C@H]1NC(=O)NC1=O ZINC000091504023 193065716 /nfs/dbraw/zinc/06/57/16/193065716.db2.gz ZAXKFMDJZVQABU-SECBINFHSA-N 0 0 321.337 0.284 50 0 DCAARN COc1ccc(OCc2nc(C(=O)NC[C@@H](O)CO)co2)cc1 ZINC000091645921 193084672 /nfs/dbraw/zinc/08/46/72/193084672.db2.gz TURABAHWHIODPX-SNVBAGLBSA-N 0 0 322.317 0.345 50 0 DCAARN Cc1nc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)no1 ZINC000091708061 193095350 /nfs/dbraw/zinc/09/53/50/193095350.db2.gz FPWJXOJCWVKMRS-UHFFFAOYSA-N 0 0 308.382 0.575 50 0 DCAARN Cn1cccc1-c1cc(C(=O)NCc2nnc3n2CCC3)[nH]n1 ZINC000091746518 193100935 /nfs/dbraw/zinc/10/09/35/193100935.db2.gz IXCDWGIJDMGOFS-UHFFFAOYSA-N 0 0 311.349 0.883 50 0 DCAARN CSc1ncc(CNC(=O)[C@H]2CCCN(C(N)=O)C2)n1C ZINC000091770754 193105473 /nfs/dbraw/zinc/10/54/73/193105473.db2.gz CAYURDRZTVWPLA-VIFPVBQESA-N 0 0 311.411 0.549 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)CN3C(=O)CNC3=O)cc2c1 ZINC000091818501 193112040 /nfs/dbraw/zinc/11/20/40/193112040.db2.gz JYONTJQMIXUNAY-UHFFFAOYSA-N 0 0 316.317 0.345 50 0 DCAARN Cc1n[nH]c(C)c1C[NH+]1CCC2(CC1)[C@H](C(=O)[O-])CC(=O)N2C ZINC000091965906 193133459 /nfs/dbraw/zinc/13/34/59/193133459.db2.gz PVDUJRBERBLSHR-ZDUSSCGKSA-N 0 0 320.393 0.924 50 0 DCAARN O=C([C@H]1CNC(=O)N1)N1CCC2(CCC(=O)N(C3CC3)C2)CC1 ZINC000091987565 193137357 /nfs/dbraw/zinc/13/73/57/193137357.db2.gz NKYRFRUWXPOBPX-GFCCVEGCSA-N 0 0 320.393 0.061 50 0 DCAARN Cc1nccnc1CN1C[C@H](NS(C)(=O)=O)[C@@H](C(C)C)C1 ZINC000092045553 193147228 /nfs/dbraw/zinc/14/72/28/193147228.db2.gz NNCBPFIHXVWIMO-OCCSQVGLSA-N 0 0 312.439 0.791 50 0 DCAARN Cn1cc([C@H](NC(=O)Cc2cccnc2)[C@H]2C[C@@H](O)C2)cn1 ZINC000252536134 202864027 /nfs/dbraw/zinc/86/40/27/202864027.db2.gz HQIIDDMUYZJVFW-IVMMDQJWSA-N 0 0 300.362 0.986 50 0 DCAARN O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1cnc[nH]c1=O ZINC000253535497 202895886 /nfs/dbraw/zinc/89/58/86/202895886.db2.gz XEBXMFDLFNUGJP-SCRDCRAPSA-N 0 0 314.345 0.689 50 0 DCAARN Cc1cc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)no1 ZINC000095955023 193457517 /nfs/dbraw/zinc/45/75/17/193457517.db2.gz CLMAHKYNWLXUPS-SECBINFHSA-N 0 0 302.356 0.529 50 0 DCAARN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cnc(N)nc2C)on1 ZINC000096133507 193548373 /nfs/dbraw/zinc/54/83/73/193548373.db2.gz AMHLSDGWZHZPGB-MFKMUULPSA-N 0 0 317.349 0.651 50 0 DCAARN COCCOc1ccccc1NC(=O)NCc1nc(N)n[nH]1 ZINC000096165905 193559514 /nfs/dbraw/zinc/55/95/14/193559514.db2.gz CPNBAQVDUPXASH-UHFFFAOYSA-N 0 0 306.326 0.734 50 0 DCAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)C)C2=O)cc1 ZINC000007986950 181515889 /nfs/dbraw/zinc/51/58/89/181515889.db2.gz RJUIJMNPTGIXJH-OAHLLOKOSA-N 0 0 305.334 0.550 50 0 DCAARN CCNC(=O)CNC(=O)[C@@H](NC(=O)Cc1ccccc1)C(C)C ZINC000008094402 181525461 /nfs/dbraw/zinc/52/54/61/181525461.db2.gz FPZUJTMFQPCUBT-INIZCTEOSA-N 0 0 319.405 0.622 50 0 DCAARN CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(OC)ccc1OC ZINC000008130765 181528531 /nfs/dbraw/zinc/52/85/31/181528531.db2.gz GBCWZHNKNNVIGB-SECBINFHSA-N 0 0 316.379 0.507 50 0 DCAARN COc1ccc(NC(=O)CN(C)C(=O)CCn2cncn2)cc1 ZINC000011598399 181694670 /nfs/dbraw/zinc/69/46/70/181694670.db2.gz SAMKKVMXROTSDI-UHFFFAOYSA-N 0 0 317.349 0.774 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cn2cc(Cl)ccc2n1 ZINC000012324074 181750821 /nfs/dbraw/zinc/75/08/21/181750821.db2.gz CLDAJOSWOFCDIW-SECBINFHSA-N 0 0 313.766 0.905 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)[C@H]2C)cc1 ZINC000013483236 181854854 /nfs/dbraw/zinc/85/48/54/181854854.db2.gz VMXYMCGZNOQWMQ-LLVKDONJSA-N 0 0 318.420 0.607 50 0 DCAARN O=c1n(CN2CCN(c3nccs3)CC2)nc2ccccn21 ZINC000014230819 181940401 /nfs/dbraw/zinc/94/04/01/181940401.db2.gz BGSYCRUJRVEYHG-UHFFFAOYSA-N 0 0 316.390 0.732 50 0 DCAARN CCCNC(=O)C(=O)NCCN1CCO[C@H](c2ccccc2)C1 ZINC000017286101 182081079 /nfs/dbraw/zinc/08/10/79/182081079.db2.gz SBJMCJMSDHIOBV-HNNXBMFYSA-N 0 0 319.405 0.702 50 0 DCAARN O=c1[nH]c2ccc(S(=O)(=O)NCc3cccnc3)cc2[nH]1 ZINC000018105733 182093177 /nfs/dbraw/zinc/09/31/77/182093177.db2.gz GSDKKCGWBNLFTO-UHFFFAOYSA-N 0 0 304.331 0.730 50 0 DCAARN COc1ccc(-c2nnc3[nH]c(=O)n(C)c(=O)c3n2)cc1OC ZINC000018272276 182101480 /nfs/dbraw/zinc/10/14/80/182101480.db2.gz UDNKVHLUAVTMMU-UHFFFAOYSA-N 0 0 315.289 0.508 50 0 biogenic DCAARN C[C@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)Nc1ccccc1 ZINC000019001600 182103321 /nfs/dbraw/zinc/10/33/21/182103321.db2.gz UUNWXPMOJTYZCF-GXSJLCMTSA-N 0 0 319.317 0.545 50 0 DCAARN Cc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)C2)cc1 ZINC000019913566 182163921 /nfs/dbraw/zinc/16/39/21/182163921.db2.gz SLTJCXYTLWEKPY-UHFFFAOYSA-N 0 0 317.389 0.569 50 0 DCAARN CCCCS(=O)(=O)NCCNc1ccc(-n2cccn2)nn1 ZINC000019924189 182165125 /nfs/dbraw/zinc/16/51/25/182165125.db2.gz RKDKXUNMVRGNTC-UHFFFAOYSA-N 0 0 324.410 0.794 50 0 DCAARN CN1CCN([C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1 ZINC000020357476 182211011 /nfs/dbraw/zinc/21/10/11/182211011.db2.gz JTEMOQTYDSBPCY-LBPRGKRZSA-N 0 0 317.345 0.295 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccccc1Cl ZINC000020489220 182223646 /nfs/dbraw/zinc/22/36/46/182223646.db2.gz BMSWDKHBWATNKS-UHFFFAOYSA-N 0 0 315.738 0.826 50 0 DCAARN CN(CC(=O)N1CCCC1)c1nnc(N2CCCC2=O)s1 ZINC000020863915 182250005 /nfs/dbraw/zinc/25/00/05/182250005.db2.gz LBEMXSONKDLWPO-UHFFFAOYSA-N 0 0 309.395 0.724 50 0 DCAARN NS(=O)(=O)c1ccc(OCCOC(=O)[C@H]2CCCO2)cc1 ZINC000021443443 182273527 /nfs/dbraw/zinc/27/35/27/182273527.db2.gz KVOYSPBDMQKPMG-GFCCVEGCSA-N 0 0 315.347 0.435 50 0 DCAARN Cn1ncc2c1ncn(CC(=O)Nc1ccc(Cl)cn1)c2=O ZINC000021441690 182273554 /nfs/dbraw/zinc/27/35/54/182273554.db2.gz ZXZMBKVFDBTHEL-UHFFFAOYSA-N 0 0 318.724 0.817 50 0 DCAARN COCCn1nc(C(=O)NCc2nc(C)cs2)ccc1=O ZINC000021482933 182274539 /nfs/dbraw/zinc/27/45/39/182274539.db2.gz ZUMCJDLQPDSSIX-UHFFFAOYSA-N 0 0 308.363 0.585 50 0 DCAARN CCc1ccc(-n2nc(CO)c(C(=O)NCCCO)n2)cc1 ZINC000021173051 182268541 /nfs/dbraw/zinc/26/85/41/182268541.db2.gz GPWKLSZBUUVAFB-UHFFFAOYSA-N 0 0 304.350 0.434 50 0 DCAARN O=C(CN1CCN(c2nccs2)CC1)NCC(F)(F)F ZINC000021334908 182272275 /nfs/dbraw/zinc/27/22/75/182272275.db2.gz RKOALVIDBJXKBI-UHFFFAOYSA-N 0 0 308.329 0.944 50 0 DCAARN NC(=O)Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O ZINC000021639337 182282037 /nfs/dbraw/zinc/28/20/37/182282037.db2.gz SHXUMVMZDPNYRB-UHFFFAOYSA-N 0 0 312.285 0.377 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)NCCCOC)cc(C)c1C ZINC000021896284 182297563 /nfs/dbraw/zinc/29/75/63/182297563.db2.gz VSMHNMDNELXTON-UHFFFAOYSA-N 0 0 314.407 0.978 50 0 DCAARN CC(=O)OCCn1c(Br)nc2c1ncnc2N ZINC000021993700 182302562 /nfs/dbraw/zinc/30/25/62/182302562.db2.gz NZSBWJIBMAJTTQ-UHFFFAOYSA-N 0 0 300.116 0.734 50 0 DCAARN Cc1nn(CN2CCC(C(N)=O)CC2)c(=O)c2ccccc12 ZINC000021960089 182300204 /nfs/dbraw/zinc/30/02/04/182300204.db2.gz FDXRDWYOVKRCHI-UHFFFAOYSA-N 0 0 300.362 0.860 50 0 DCAARN CCCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000022317085 182317736 /nfs/dbraw/zinc/31/77/36/182317736.db2.gz FPQXMTVNSRNIEM-UHFFFAOYSA-N 0 0 316.379 0.830 50 0 DCAARN Cc1c(Cl)c(C(=O)N[C@@H](C)CN2CCOCC2)nn1C ZINC000022238448 182314268 /nfs/dbraw/zinc/31/42/68/182314268.db2.gz PEHYFXPAFXLCIM-VIFPVBQESA-N 0 0 300.790 0.832 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)Nc1cnn(-c2ccccc2)c1 ZINC000097931240 193767610 /nfs/dbraw/zinc/76/76/10/193767610.db2.gz ROFAUOQRRNBETJ-LBPRGKRZSA-N 0 0 313.317 0.799 50 0 DCAARN Cn1ccnc1[C@H](O)CNc1nccc(-c2ncnn2C)n1 ZINC000023145347 182351389 /nfs/dbraw/zinc/35/13/89/182351389.db2.gz SGYJDQCONBXEET-SNVBAGLBSA-N 0 0 300.326 0.151 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCCn2ncccc2=O)s1 ZINC000023242002 182354011 /nfs/dbraw/zinc/35/40/11/182354011.db2.gz JWMQQVJYNQRXJP-UHFFFAOYSA-N 0 0 313.404 0.982 50 0 DCAARN C[C@@H](Cn1cccn1)C(=O)N1CCC(n2cc(CO)nn2)CC1 ZINC000023505202 182362292 /nfs/dbraw/zinc/36/22/92/182362292.db2.gz YIXSTWYQACYXHJ-LBPRGKRZSA-N 0 0 318.381 0.467 50 0 DCAARN O=C(CN1CCOCC1)Nc1ccccc1C(=O)NC1CC1 ZINC000023624890 182364714 /nfs/dbraw/zinc/36/47/14/182364714.db2.gz JREKUAPGADWIKN-UHFFFAOYSA-N 0 0 303.362 0.850 50 0 DCAARN Cc1ccc(C(=O)OCC(=O)N2CCC[C@@H](C(N)=O)C2)cn1 ZINC000024131394 182375971 /nfs/dbraw/zinc/37/59/71/182375971.db2.gz POROUIZMNSTCCH-GFCCVEGCSA-N 0 0 305.334 0.271 50 0 DCAARN CCN1C(=O)C[C@H](N(C)Cc2nc3ccccc3c(=O)[nH]2)C1=O ZINC000024572880 182383928 /nfs/dbraw/zinc/38/39/28/182383928.db2.gz PGRYSCIYRBRKGQ-LBPRGKRZSA-N 0 0 314.345 0.502 50 0 DCAARN CC(C)(C)NC(=O)NC(=O)CN1CCN(C(=O)C2CC2)CC1 ZINC000024593068 182384550 /nfs/dbraw/zinc/38/45/50/182384550.db2.gz YYUSRKXCMPSFFT-UHFFFAOYSA-N 0 0 310.398 0.165 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)NCCOc2ccccc2)o1 ZINC000024625069 182385138 /nfs/dbraw/zinc/38/51/38/182385138.db2.gz KPRIKVOPPXTULF-UHFFFAOYSA-N 0 0 324.358 0.997 50 0 DCAARN C[C@@H](C(=O)O[C@H]1CCOC1=O)N1C(=O)c2ccccc2C1=O ZINC000024971072 182397207 /nfs/dbraw/zinc/39/72/07/182397207.db2.gz HVURQZOQWCAZKW-KWQFWETISA-N 0 0 303.270 0.530 50 0 DCAARN CCOC(=O)C1CCN([C@H](C)C(=O)NC(=O)NC2CC2)CC1 ZINC000027342868 182469704 /nfs/dbraw/zinc/46/97/04/182469704.db2.gz WHHCOXWZKLQYLT-SNVBAGLBSA-N 0 0 311.382 0.638 50 0 DCAARN CC(C)c1noc([C@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000027775796 182490679 /nfs/dbraw/zinc/49/06/79/182490679.db2.gz FDGNQPMHFAPINV-QMMMGPOBSA-N 0 0 318.337 0.549 50 0 DCAARN COC(=O)CNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000030697443 182595676 /nfs/dbraw/zinc/59/56/76/182595676.db2.gz IZFRCPFRXGUKCT-JTQLQIEISA-N 0 0 310.375 0.890 50 0 DCAARN CCOC(=O)c1c(CCCO)cnc2nc(C(=O)OC)nn21 ZINC000032625190 182651558 /nfs/dbraw/zinc/65/15/58/182651558.db2.gz IXEAJYSLHUKWRY-UHFFFAOYSA-N 0 0 308.294 0.013 50 0 DCAARN O=C(Cn1cccnc1=O)NCCc1ccc2c(c1)OCO2 ZINC000032713602 182655780 /nfs/dbraw/zinc/65/57/80/182655780.db2.gz QTGSGRZUJRKKIY-UHFFFAOYSA-N 0 0 301.302 0.331 50 0 DCAARN COc1ccccc1CCNC(=O)CN1CCN(C(C)=O)CC1 ZINC000034858835 182740404 /nfs/dbraw/zinc/74/04/04/182740404.db2.gz DDWLLSLJTNLSQH-UHFFFAOYSA-N 0 0 319.405 0.518 50 0 DCAARN O=S(=O)(c1cccnc1)N1CCN(CC(F)(F)F)CC1 ZINC000038681923 183006511 /nfs/dbraw/zinc/00/65/11/183006511.db2.gz MBUIBAAAAUDOMZ-UHFFFAOYSA-N 0 0 309.313 0.950 50 0 DCAARN NS(=O)(=O)c1ccc(CNC(=O)c2ccc(=O)[nH]c2)s1 ZINC000040214646 183045784 /nfs/dbraw/zinc/04/57/84/183045784.db2.gz BMBMOCVHBAMHQA-UHFFFAOYSA-N 0 0 313.360 0.014 50 0 DCAARN CCCCN(C)S(=O)(=O)NCc1cccnc1-n1cncn1 ZINC000040105119 183035718 /nfs/dbraw/zinc/03/57/18/183035718.db2.gz FHKHGRZJWWVOMR-UHFFFAOYSA-N 0 0 324.410 0.729 50 0 DCAARN Cc1cc(NC(=O)Cc2noc(C(=O)N3CCOCC3)n2)no1 ZINC000040286882 183051560 /nfs/dbraw/zinc/05/15/60/183051560.db2.gz BPBRYVMZMJUCBD-UHFFFAOYSA-N 0 0 321.293 0.020 50 0 DCAARN COc1ccc(COC[C@H](O)CN2C(=O)CN(C)C2=O)cc1 ZINC000040465543 183072703 /nfs/dbraw/zinc/07/27/03/183072703.db2.gz XHERWGKMMWPUJA-GFCCVEGCSA-N 0 0 308.334 0.467 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1cccs1 ZINC000040477940 183075853 /nfs/dbraw/zinc/07/58/53/183075853.db2.gz OTFWPLHOSWUHNW-JTQLQIEISA-N 0 0 305.359 0.962 50 0 DCAARN O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000040480623 183076942 /nfs/dbraw/zinc/07/69/42/183076942.db2.gz VZORCFVLTOVOQC-KGLIPLIRSA-N 0 0 301.350 0.752 50 0 DCAARN O=C1CCCN1CCCNS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000040485742 183077686 /nfs/dbraw/zinc/07/76/86/183077686.db2.gz AGDQBPSCFFYVDQ-UHFFFAOYSA-N 0 0 324.402 0.912 50 0 DCAARN CNS(=O)(=O)c1ccc(CNC(=O)c2ccncc2)cc1 ZINC000040498973 183082500 /nfs/dbraw/zinc/08/25/00/183082500.db2.gz QDCMPPLZNCYCEA-UHFFFAOYSA-N 0 0 305.359 0.920 50 0 DCAARN CNS(=O)(=O)c1ccc(CNC(=O)c2cnc(C)cn2)cc1 ZINC000040498978 183082985 /nfs/dbraw/zinc/08/29/85/183082985.db2.gz LBHBPDMLHVCDCS-UHFFFAOYSA-N 0 0 320.374 0.623 50 0 DCAARN CN(C)c1nc(N)nc(COc2ccc(S(C)(=O)=O)cc2)n1 ZINC000040500952 183083353 /nfs/dbraw/zinc/08/33/53/183083353.db2.gz MNPNTOAJJJAKDL-UHFFFAOYSA-N 0 0 323.378 0.502 50 0 DCAARN O=C(CCn1c(=O)oc2ccccc21)N[C@@H]1CCCCNC1=O ZINC000040522015 183091042 /nfs/dbraw/zinc/09/10/42/183091042.db2.gz CSCMGUMDGXHWID-LLVKDONJSA-N 0 0 317.345 0.770 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)c2ccnc(N(C)C)c2)CC1 ZINC000040535525 183095481 /nfs/dbraw/zinc/09/54/81/183095481.db2.gz ZWJQZVIKNDBGQU-UHFFFAOYSA-N 0 0 319.409 0.088 50 0 DCAARN COc1ncccc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000040541660 183097700 /nfs/dbraw/zinc/09/77/00/183097700.db2.gz MNJYVBICMJFHPX-SNVBAGLBSA-N 0 0 313.379 0.700 50 0 DCAARN Cc1ccc(CNC(=O)c2cnc3n(c2=O)CCS3)cn1 ZINC000040541909 183097763 /nfs/dbraw/zinc/09/77/63/183097763.db2.gz KKJAXXQCOCIPDH-UHFFFAOYSA-N 0 0 302.359 0.982 50 0 DCAARN COCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000040542324 183098656 /nfs/dbraw/zinc/09/86/56/183098656.db2.gz IMSLPCFCLJWINA-CQSZACIVSA-N 0 0 318.373 0.555 50 0 DCAARN CC[C@@H](C)c1noc([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 ZINC000040714788 183123122 /nfs/dbraw/zinc/12/31/22/183123122.db2.gz FHXRQBFYSVLZMU-GHMZBOCLSA-N 0 0 319.369 0.976 50 0 DCAARN O=C1COc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2N1 ZINC000041237499 183180064 /nfs/dbraw/zinc/18/00/64/183180064.db2.gz BWQOZCRSFSVIKJ-VIFPVBQESA-N 0 0 312.347 0.475 50 0 DCAARN CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@H]1CCOC1=O)C2=O ZINC000041295016 183184482 /nfs/dbraw/zinc/18/44/82/183184482.db2.gz PRLWLEWOXSYDJU-VOZQYIJBSA-N 0 0 324.333 0.346 50 0 DCAARN COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1CCOC1 ZINC000041371298 183187386 /nfs/dbraw/zinc/18/73/86/183187386.db2.gz DHDCURXXQAWBHT-VIFPVBQESA-N 0 0 314.363 0.109 50 0 DCAARN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@H]1CCOC1 ZINC000041371479 183187634 /nfs/dbraw/zinc/18/76/34/183187634.db2.gz MHRFTCCMHHMVCQ-LLVKDONJSA-N 0 0 317.345 0.233 50 0 DCAARN O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(=O)[nH]c1 ZINC000041419636 183190163 /nfs/dbraw/zinc/19/01/63/183190163.db2.gz PGTGZISMZBWQFN-HNNXBMFYSA-N 0 0 323.418 0.313 50 0 DCAARN Cn1ccc(Cn2nnn(-c3ccccc3Cl)c2=O)cc1=O ZINC000042090407 183232129 /nfs/dbraw/zinc/23/21/29/183232129.db2.gz MUFSWTDRZOXXKL-UHFFFAOYSA-N 0 0 317.736 0.829 50 0 DCAARN C[C@@H](Cn1ccnc1)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000042535924 183281954 /nfs/dbraw/zinc/28/19/54/183281954.db2.gz UCIFARJPQYZYRW-NSHDSACASA-N 0 0 314.411 0.059 50 0 DCAARN CN(C)c1ncccc1CNC(=O)N1CCC(C(N)=O)CC1 ZINC000042949370 183320959 /nfs/dbraw/zinc/32/09/59/183320959.db2.gz GRMWWBJJPDZAEC-UHFFFAOYSA-N 0 0 305.382 0.555 50 0 DCAARN CS(=O)(=O)c1ccc(CNC(=O)c2ccc(=O)[nH]c2)cc1 ZINC000043070791 183334182 /nfs/dbraw/zinc/33/41/82/183334182.db2.gz OXLIGQJMLVBJAC-UHFFFAOYSA-N 0 0 306.343 0.708 50 0 DCAARN COC(=O)N1CCC(CNC(=O)C(=O)Nc2cccnc2)CC1 ZINC000043941794 183390422 /nfs/dbraw/zinc/39/04/22/183390422.db2.gz HJJIOEHKHGCUSV-UHFFFAOYSA-N 0 0 320.349 0.615 50 0 DCAARN CC[C@H](C)NC(=O)CN1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000044744117 183437127 /nfs/dbraw/zinc/43/71/27/183437127.db2.gz PXSIFIQRZZKYKL-RYUDHWBXSA-N 0 0 309.414 0.971 50 0 DCAARN Cc1cccc2c1ncn(CCC(=O)N(C)CC(N)=O)c2=O ZINC000044941635 183463018 /nfs/dbraw/zinc/46/30/18/183463018.db2.gz LMKWZDYFDFDGKP-UHFFFAOYSA-N 0 0 302.334 0.039 50 0 DCAARN Cc1ccccc1OCCNS(=O)(=O)N1CCOCC1 ZINC000048673706 183677411 /nfs/dbraw/zinc/67/74/11/183677411.db2.gz LXKWBSYGXCBTCB-UHFFFAOYSA-N 0 0 300.380 0.540 50 0 DCAARN Cc1csc(N2CCN(CCCS(N)(=O)=O)C[C@H]2C)n1 ZINC000106775821 194252580 /nfs/dbraw/zinc/25/25/80/194252580.db2.gz KCYMWNBRNNIDGL-LLVKDONJSA-N 0 0 318.468 0.641 50 0 DCAARN O=C(NCCCNc1ncccn1)c1ccnc(-n2cncn2)c1 ZINC000054081992 183923022 /nfs/dbraw/zinc/92/30/22/183923022.db2.gz WHOXEIUWACXLJG-UHFFFAOYSA-N 0 0 324.348 0.684 50 0 DCAARN CCN(CC)C(=O)c1cc(OCC(=O)N2CCOCC2)n(C)n1 ZINC000057312468 184033054 /nfs/dbraw/zinc/03/30/54/184033054.db2.gz UGRNLKMQHTXYSJ-UHFFFAOYSA-N 0 0 324.381 0.140 50 0 DCAARN CN(C)C(=O)COc1cc(C(=O)NCC2CCCC2)nn1C ZINC000057312634 184033068 /nfs/dbraw/zinc/03/30/68/184033068.db2.gz MGUWPKAGACBKOD-UHFFFAOYSA-N 0 0 308.382 0.807 50 0 DCAARN CC(C)CCNC(=O)Cn1c2ccsc2c(=O)n(C)c1=O ZINC000057426456 184038067 /nfs/dbraw/zinc/03/80/67/184038067.db2.gz BCCPSHUKVWDACF-UHFFFAOYSA-N 0 0 309.391 0.924 50 0 DCAARN C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCN(CCO)CC1 ZINC000058013775 184067507 /nfs/dbraw/zinc/06/75/07/184067507.db2.gz OQGWZROLCSPWBZ-CQSZACIVSA-N 0 0 323.412 0.783 50 0 DCAARN CCOC(=O)N[C@H](C(=O)N1CCCN(C(C)=O)CC1)C(C)C ZINC000058166842 184083057 /nfs/dbraw/zinc/08/30/57/184083057.db2.gz DVTVMALDTWAOET-ZDUSSCGKSA-N 0 0 313.398 0.838 50 0 DCAARN CCOC(=O)CN(CC(=O)NC(=O)NC)Cc1ccc(C)cc1 ZINC000058168494 184084087 /nfs/dbraw/zinc/08/40/87/184084087.db2.gz IWNZCPWYEFNIJK-UHFFFAOYSA-N 0 0 321.377 0.816 50 0 DCAARN COc1cccc(OC)c1C(=O)O[C@H](C)C(=O)N1CCNC1=O ZINC000058152681 184081366 /nfs/dbraw/zinc/08/13/66/184081366.db2.gz XAJKSJXHZAJAGC-SECBINFHSA-N 0 0 322.317 0.801 50 0 DCAARN O=S(=O)(N1CCCC1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000058392153 184111494 /nfs/dbraw/zinc/11/14/94/184111494.db2.gz WIYLZRCFEQBGQR-ZDUSSCGKSA-N 0 0 303.428 0.124 50 0 DCAARN COCCN(Cc1ccccn1)C(=O)C1=NN(C)C(=O)CC1 ZINC000058279331 184098930 /nfs/dbraw/zinc/09/89/30/184098930.db2.gz ZQSSIMPXXATIJW-UHFFFAOYSA-N 0 0 304.350 0.665 50 0 DCAARN COCCOc1ncccc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000058323451 184105424 /nfs/dbraw/zinc/10/54/24/184105424.db2.gz SQMXSNGYRCAPMT-GFCCVEGCSA-N 0 0 309.366 0.167 50 0 DCAARN CCCOCC(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000058392708 184111807 /nfs/dbraw/zinc/11/18/07/184111807.db2.gz VKGBLSCWTYRKNA-SNVBAGLBSA-N 0 0 300.380 0.938 50 0 DCAARN C[C@]1(C(=O)NCCN2CCCS2(=O)=O)CC1(Cl)Cl ZINC000058394032 184112566 /nfs/dbraw/zinc/11/25/66/184112566.db2.gz YWYSDCRNVAAZBB-SECBINFHSA-N 0 0 315.222 0.722 50 0 DCAARN COC(=O)CNC[C@@]1(O)CCCN(Cc2cccc(C)c2)C1=O ZINC000059429712 184138617 /nfs/dbraw/zinc/13/86/17/184138617.db2.gz CEOQUNUKIIXXAZ-KRWDZBQOSA-N 0 0 320.389 0.611 50 0 DCAARN Cc1cccc(C)c1OC[C@H](O)CNc1ccc2nnnn2n1 ZINC000060081923 184143810 /nfs/dbraw/zinc/14/38/10/184143810.db2.gz BKESRZXKESPMRZ-GFCCVEGCSA-N 0 0 314.349 0.988 50 0 DCAARN NC(=O)CSc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12 ZINC000064593334 184301102 /nfs/dbraw/zinc/30/11/02/184301102.db2.gz SCHNALWGKMEQLN-UHFFFAOYSA-N 0 0 319.321 0.597 50 0 DCAARN CN1CCN2CCN(C(=O)CCOc3ccccc3)C[C@H]2C1=O ZINC000065384837 184333545 /nfs/dbraw/zinc/33/35/45/184333545.db2.gz KWNFSDAWHXZDNJ-HNNXBMFYSA-N 0 0 317.389 0.440 50 0 DCAARN CC(=O)N1CCN(CCNC(=O)Nc2ncccc2C)CC1 ZINC000065393133 184334054 /nfs/dbraw/zinc/33/40/54/184334054.db2.gz FJNMDQZEXILKSA-UHFFFAOYSA-N 0 0 305.382 0.676 50 0 DCAARN CNC(=O)[C@@H]1CCc2nc(N3CCN(C(C)=O)CC3)sc2C1 ZINC000065273274 184320811 /nfs/dbraw/zinc/32/08/11/184320811.db2.gz MQIUATFBLXHLIK-LLVKDONJSA-N 0 0 322.434 0.663 50 0 DCAARN COC(=O)[C@H](CO)NCCC(=O)NC1CCCCCCC1 ZINC000065369840 184329420 /nfs/dbraw/zinc/32/94/20/184329420.db2.gz HUPITPNULAEPEO-ZDUSSCGKSA-N 0 0 300.399 0.729 50 0 DCAARN CC(C)c1csc(C(=O)N2CCN3C(=O)CNC(=O)[C@H]3C2)n1 ZINC000065373172 184330859 /nfs/dbraw/zinc/33/08/59/184330859.db2.gz IZVOBUJXOUVOGQ-SNVBAGLBSA-N 0 0 322.390 0.049 50 0 DCAARN COCCn1cc(NC(=O)N[C@H](C)CN2CCOCC2)cn1 ZINC000065418209 184341397 /nfs/dbraw/zinc/34/13/97/184341397.db2.gz BJSQYHQEQBOLOX-GFCCVEGCSA-N 0 0 311.386 0.372 50 0 DCAARN Cc1n[nH]cc1CCCNC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000065437020 184345192 /nfs/dbraw/zinc/34/51/92/184345192.db2.gz YHNAOMWZOIUVDQ-NSHDSACASA-N 0 0 300.384 0.137 50 0 DCAARN O=C(CN1c2ccccc2OCCC1=O)NC[C@H]1CCOC1 ZINC000065457736 184348374 /nfs/dbraw/zinc/34/83/74/184348374.db2.gz PIPFPYDUCJNNRX-GFCCVEGCSA-N 0 0 304.346 0.955 50 0 DCAARN CCN(CC(=O)N1CCNC(=O)C1)Cc1ccc(F)c(F)c1 ZINC000065548450 184364526 /nfs/dbraw/zinc/36/45/26/184364526.db2.gz RTYKOCLJASBXHU-UHFFFAOYSA-N 0 0 311.332 0.745 50 0 DCAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC(N)=O ZINC000065552590 184364837 /nfs/dbraw/zinc/36/48/37/184364837.db2.gz PXEIPVWJVCLZJI-GFCCVEGCSA-N 0 0 311.769 0.696 50 0 DCAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000065516805 184358554 /nfs/dbraw/zinc/35/85/54/184358554.db2.gz LOUDNTMDTKBLHW-OCCSQVGLSA-N 0 0 323.393 0.481 50 0 DCAARN CS(=O)(=O)NCCNC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065988680 184384236 /nfs/dbraw/zinc/38/42/36/184384236.db2.gz SFSVGXHZBQBYAQ-MPEURRAXSA-N 0 0 315.439 0.756 50 0 DCAARN CN(C)C(=O)[C@@H]1CSCN1C(=O)CCOCC(F)(F)F ZINC000066649671 184420552 /nfs/dbraw/zinc/42/05/52/184420552.db2.gz GLNWHYXGBSDIGV-QMMMGPOBSA-N 0 0 314.329 0.945 50 0 DCAARN CCOC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000067386630 184464116 /nfs/dbraw/zinc/46/41/16/184464116.db2.gz VPTZCJXVHJAZKP-CQSZACIVSA-N 0 0 311.426 0.568 50 0 DCAARN CC(C)NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC000067488688 184469542 /nfs/dbraw/zinc/46/95/42/184469542.db2.gz AOBDCJGVMOYCOQ-UHFFFAOYSA-N 0 0 320.317 0.831 50 0 DCAARN Cc1cc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)n(C)n1 ZINC000067486805 184469638 /nfs/dbraw/zinc/46/96/38/184469638.db2.gz YUMGMUXQZMPJKF-SNVBAGLBSA-N 0 0 322.390 0.867 50 0 DCAARN CS(=O)(=O)CC(=O)N1CCC[C@H](OCc2cccnc2)C1 ZINC000067758108 184485103 /nfs/dbraw/zinc/48/51/03/184485103.db2.gz BXKVEGOQZZFJSI-ZDUSSCGKSA-N 0 0 312.391 0.634 50 0 DCAARN Cc1cnn([C@H]2CCCN(C(=O)CN3CSCC3=O)C2)c1 ZINC000069485160 184518614 /nfs/dbraw/zinc/51/86/14/184518614.db2.gz CBZMZZWWOPLCKB-LBPRGKRZSA-N 0 0 308.407 0.888 50 0 DCAARN C[C@@H](NC(=O)c1ccoc1)C(=O)NCCC(=O)N1CCCC1 ZINC000069454220 184516069 /nfs/dbraw/zinc/51/60/69/184516069.db2.gz BLSNIAWWUKDDMO-LLVKDONJSA-N 0 0 307.350 0.527 50 0 DCAARN CCN1C[C@H](C(=O)N(C)CC(=O)Nc2cccc(C)n2)CC1=O ZINC000069566948 184526553 /nfs/dbraw/zinc/52/65/53/184526553.db2.gz QPFNXMGMZXYDII-GFCCVEGCSA-N 0 0 318.377 0.655 50 0 DCAARN CO[C@@H]1C[C@H]2C(=O)N([C@@H]3CCN(c4ccccn4)C3)C(=O)N2C1 ZINC000328588528 532970582 /nfs/dbraw/zinc/97/05/82/532970582.db2.gz RZWOFHOICYXAAX-UPJWGTAASA-N 0 0 316.361 0.712 50 0 DCAARN Cn1cc([C@@H](NC(=O)N2CCO[C@@H](CO)C2)C(F)(F)F)cn1 ZINC000334104402 252792514 /nfs/dbraw/zinc/79/25/14/252792514.db2.gz TXKIUEYLOSGEOU-NXEZZACHSA-N 0 0 322.287 0.426 50 0 DCAARN NC(=O)c1nnn(CC(=O)c2ccc(Cl)cc2)c1C(N)=O ZINC000071328520 256542806 /nfs/dbraw/zinc/54/28/06/256542806.db2.gz GBUKIIYKYNPFJM-UHFFFAOYSA-N 0 0 307.697 0.012 50 0 DCAARN CCOC(=O)c1cnc(N[C@H](CO)CN2CCOCC2)nc1C ZINC000521398674 257234535 /nfs/dbraw/zinc/23/45/35/257234535.db2.gz YGLSAWQCYMGDLE-LBPRGKRZSA-N 0 0 324.381 0.067 50 0 DCAARN Cc1cc(=O)c(OCC(=O)Nc2cccn3nnnc23)c[nH]1 ZINC000524735613 257213236 /nfs/dbraw/zinc/21/32/36/257213236.db2.gz NLMVAJLPYBWPSJ-UHFFFAOYSA-N 0 0 300.278 0.139 50 0 DCAARN COc1nc(N)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1 ZINC000524732422 257214144 /nfs/dbraw/zinc/21/41/44/257214144.db2.gz BJUDADYZOCNRCU-UHFFFAOYSA-N 0 0 312.289 0.631 50 0 DCAARN CN1CC[C@@H](CNS(=O)(=O)c2cccc3c2OCC3)CC1=O ZINC000521395872 257240882 /nfs/dbraw/zinc/24/08/82/257240882.db2.gz NSYCHXLMIWGESH-LLVKDONJSA-N 0 0 324.402 0.768 50 0 DCAARN Cc1cccc(Nc2nc3c(c(=O)[nH]c(=O)n3C)n2CCO)c1 ZINC000000539853 257241973 /nfs/dbraw/zinc/24/19/73/257241973.db2.gz QVKOOCXFUBTVGS-UHFFFAOYSA-N 0 0 315.333 0.468 50 0 DCAARN Cc1n[nH]c(C)c1CNC(=O)N1CCN(c2ncccn2)CC1 ZINC000109400799 257242472 /nfs/dbraw/zinc/24/24/72/257242472.db2.gz CWJMNMNQCICXOL-UHFFFAOYSA-N 0 0 315.381 0.848 50 0 DCAARN CC1(C)SC[C@@H](C(=O)N2CCC(c3ncon3)CC2)NC1=O ZINC000426536543 257246744 /nfs/dbraw/zinc/24/67/44/257246744.db2.gz SFFBOYACZSBSJJ-JTQLQIEISA-N 0 0 324.406 0.786 50 0 DCAARN Cn1ccnc1CNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000426545142 257246746 /nfs/dbraw/zinc/24/67/46/257246746.db2.gz VQNAIBZCPMRKSJ-CYBMUJFWSA-N 0 0 311.349 0.507 50 0 DCAARN COc1ncc(C(=O)N2CCC(c3nnc(C)[nH]3)CC2)cn1 ZINC000426523348 257247389 /nfs/dbraw/zinc/24/73/89/257247389.db2.gz CYKMQDPNJRGYMY-UHFFFAOYSA-N 0 0 302.338 0.932 50 0 DCAARN Nc1cc(=O)[nH]c(CCNC(=O)c2cnn(-c3ccccc3)c2)n1 ZINC000426506545 257248121 /nfs/dbraw/zinc/24/81/21/257248121.db2.gz DZQDQDWAUIPVDN-UHFFFAOYSA-N 0 0 324.344 0.923 50 0 DCAARN CN1CCN(C(=O)Cc2nc3ccccc3[nH]2)C[C@@H]1CCO ZINC000426503633 257248308 /nfs/dbraw/zinc/24/83/08/257248308.db2.gz XKFFPWQMDVLOML-LBPRGKRZSA-N 0 0 302.378 0.630 50 0 DCAARN COCc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C(=O)[O-])C2)s1 ZINC000426371196 257253467 /nfs/dbraw/zinc/25/34/67/257253467.db2.gz RCSJKXJISHFGPN-BONVTDFDSA-N 0 0 324.402 0.983 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000252486716 257258450 /nfs/dbraw/zinc/25/84/50/257258450.db2.gz MLONPSOHYVWXDL-WUHRBBMRSA-N 0 0 300.424 0.963 50 0 DCAARN O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC2(CC1)NC(=O)NC2=O ZINC000071835222 184861826 /nfs/dbraw/zinc/86/18/26/184861826.db2.gz FCINGVJAAVYYHU-VHSXEESVSA-N 0 0 303.318 0.584 50 0 DCAARN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCn2c(nnc2C2CC2)C1 ZINC000071880910 184884826 /nfs/dbraw/zinc/88/48/26/184884826.db2.gz JXIGXFOXDHWMJS-YPMHNXCESA-N 0 0 319.409 0.655 50 0 DCAARN COC[C@](C)(NS(=O)(=O)c1c(C)cc(C)cc1C)C(N)=O ZINC000071900696 184895679 /nfs/dbraw/zinc/89/56/79/184895679.db2.gz ZVCCUNSKZRMRSS-AWEZNQCLSA-N 0 0 314.407 0.781 50 0 DCAARN COC(=O)C[C@@H]1CN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CCO1 ZINC000408524801 533647675 /nfs/dbraw/zinc/64/76/75/533647675.db2.gz ZLCKCUPZTOSEGQ-REWJHTLYSA-N 0 0 310.394 0.698 50 0 DCAARN NC(=O)[C@]1(O)CCCN(c2cncc(Br)c2)C1 ZINC000284496643 131086256 /nfs/dbraw/zinc/08/62/56/131086256.db2.gz CSFLJFODCGIMBZ-NSHDSACASA-N 0 0 300.156 0.661 50 0 DCAARN O=S1(=O)CC[C@@H](N2CCN(c3ncc(Cl)cn3)CC2)C1 ZINC000253419880 296488735 /nfs/dbraw/zinc/48/87/35/296488735.db2.gz SWDAUTFJKYGQMS-LLVKDONJSA-N 0 0 316.814 0.439 50 0 DCAARN COc1ccnc(N2CCN(C(=O)c3cnccn3)CC2)n1 ZINC000047693929 134749236 /nfs/dbraw/zinc/74/92/36/134749236.db2.gz UMFYRNDNNXCZBR-UHFFFAOYSA-N 0 0 300.322 0.238 50 0 DCAARN COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCC[NH2+][C@@H]1C ZINC000239882225 292037686 /nfs/dbraw/zinc/03/76/86/292037686.db2.gz DAOZRIMHJKOTOH-HTQZYQBOSA-N 0 0 319.408 0.349 50 0 DCAARN COC(=O)c1sccc1S(=O)(=O)N1CCOC[C@H]1C ZINC000046802960 292043307 /nfs/dbraw/zinc/04/33/07/292043307.db2.gz WLAWWYRRPXDSHT-MRVPVSSYSA-N 0 0 305.377 0.944 50 0 DCAARN CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000008324136 395684384 /nfs/dbraw/zinc/68/43/84/395684384.db2.gz IHXMSWFJKQFLAY-CQSZACIVSA-N 0 0 305.290 0.781 50 0 DCAARN CC[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1 ZINC000008403476 395684488 /nfs/dbraw/zinc/68/44/88/395684488.db2.gz RINCKUWQVXFHBL-LBPRGKRZSA-N 0 0 301.346 0.847 50 0 DCAARN Nc1nonc1-c1nc2ccccc2n1Cc1nc(N)nc(N)n1 ZINC000008439258 395684687 /nfs/dbraw/zinc/68/46/87/395684687.db2.gz LUGSNZJELBRNBF-UHFFFAOYSA-N 0 0 324.308 0.066 50 0 DCAARN C[C@H](On1nnc2ccc(Cl)cc21)C(=O)N1CCOCC1 ZINC000008776812 395684852 /nfs/dbraw/zinc/68/48/52/395684852.db2.gz WBQYBPBVYIRPQQ-VIFPVBQESA-N 0 0 310.741 0.761 50 0 DCAARN NC(=O)[C@H]1CCCN1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000008883361 395684976 /nfs/dbraw/zinc/68/49/76/395684976.db2.gz KMBUJZRIFNNGCE-GFCCVEGCSA-N 0 0 319.361 0.736 50 0 DCAARN CCOCC(=O)NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 ZINC000009120839 395685132 /nfs/dbraw/zinc/68/51/32/395685132.db2.gz KOAVXEJLZOPUML-LLVKDONJSA-N 0 0 322.317 0.893 50 0 DCAARN COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ncnn32)c(OC)c1 ZINC000009087408 395685212 /nfs/dbraw/zinc/68/52/12/395685212.db2.gz GGCYWQJTXDCVFO-JTQLQIEISA-N 0 0 317.305 0.817 50 0 DCAARN CCNC(=O)N1CCNC(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 ZINC000009340815 395685273 /nfs/dbraw/zinc/68/52/73/395685273.db2.gz CRIGWITUYGOXOY-GFCCVEGCSA-N 0 0 322.340 0.684 50 0 DCAARN O=C(CNc1nc(Cl)nc2nc[nH]c21)NCCc1c[nH]cn1 ZINC000009421180 395685274 /nfs/dbraw/zinc/68/52/74/395685274.db2.gz ZZHPAVKMIKXZMM-UHFFFAOYSA-N 0 0 320.744 0.500 50 0 DCAARN O=C(CSc1nc2n[nH]cc2c(=O)[nH]1)NC[C@@H]1CCCO1 ZINC000009636034 395685430 /nfs/dbraw/zinc/68/54/30/395685430.db2.gz JSUSWHCNPHNTQC-ZETCQYMHSA-N 0 0 309.351 0.034 50 0 DCAARN CC1CCN(C(=O)Cn2nnn(-c3ccccc3)c2=O)CC1 ZINC000009722133 395685613 /nfs/dbraw/zinc/68/56/13/395685613.db2.gz WBDSYGVMASCMNW-UHFFFAOYSA-N 0 0 301.350 0.688 50 0 DCAARN CCOC(=O)N1CCN(C(=O)CSc2nccn2C)CC1 ZINC000009941620 395685823 /nfs/dbraw/zinc/68/58/23/395685823.db2.gz WNKYBIMXYKZNGA-UHFFFAOYSA-N 0 0 312.395 0.813 50 0 DCAARN Cc1csc2nc(O)c(C(=O)NC[C@@H]3CCCO3)c(=O)n12 ZINC000010166700 395685993 /nfs/dbraw/zinc/68/59/93/395685993.db2.gz AOEQRVNQVFBSRA-QMMMGPOBSA-N 0 0 309.347 0.679 50 0 DCAARN CCOC(=O)c1cnc(S[C@@H]2CCCCNC2=O)nc1N ZINC000010269048 395686094 /nfs/dbraw/zinc/68/60/94/395686094.db2.gz QQJNKHYEIVCFGC-SECBINFHSA-N 0 0 310.379 0.996 50 0 DCAARN Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1NCc1cccnc1 ZINC000012226737 395687270 /nfs/dbraw/zinc/68/72/70/395687270.db2.gz ZADNMVGCMDCAMW-UHFFFAOYSA-N 0 0 311.345 0.948 50 0 DCAARN Cn1c2cn(CCO)c(-c3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000012390683 395687606 /nfs/dbraw/zinc/68/76/06/395687606.db2.gz MUXLTPMXJKYANU-UHFFFAOYSA-N 0 0 317.320 0.837 50 0 DCAARN CCOC(=O)c1nnn(-c2nonc2-c2noc(C)n2)c1C ZINC000012413751 395687632 /nfs/dbraw/zinc/68/76/32/395687632.db2.gz NUOHQGZSNVCNIR-UHFFFAOYSA-N 0 0 305.254 0.494 50 0 DCAARN NC(=O)c1ccccc1NC(=O)CSc1nc(N)cc(=O)[nH]1 ZINC000012629557 395687930 /nfs/dbraw/zinc/68/79/30/395687930.db2.gz JOZYLOZHDKHSLB-UHFFFAOYSA-N 0 0 319.346 0.182 50 0 DCAARN NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012809323 395687976 /nfs/dbraw/zinc/68/79/76/395687976.db2.gz XJWOYFDJSTXVIT-UHFFFAOYSA-N 0 0 304.346 0.838 50 0 DCAARN CCOCCCNC(=O)Cn1nnnc1CN1CCC(C)CC1 ZINC000012717242 395688038 /nfs/dbraw/zinc/68/80/38/395688038.db2.gz UKAXRABPBJMUDD-UHFFFAOYSA-N 0 0 324.429 0.448 50 0 DCAARN COC(=O)C1=CC(c2ccc3c(c2)OCO3)=NS(=O)(=O)N1C ZINC000012848777 395688045 /nfs/dbraw/zinc/68/80/45/395688045.db2.gz CXRJSKZHFRCGSC-UHFFFAOYSA-N 0 0 324.314 0.452 50 0 DCAARN Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CCN(C)CC1)CS2 ZINC000014034777 395689059 /nfs/dbraw/zinc/68/90/59/395689059.db2.gz HSNXUNVHFFHYHX-GFCCVEGCSA-N 0 0 322.434 0.671 50 0 DCAARN O=C(c1ccc[nH]c1=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000014054291 395689070 /nfs/dbraw/zinc/68/90/70/395689070.db2.gz FETHCVWPVUDCOG-GFCCVEGCSA-N 0 0 319.361 0.086 50 0 DCAARN Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCN(C)CC1)CS2 ZINC000014034779 395689154 /nfs/dbraw/zinc/68/91/54/395689154.db2.gz HSNXUNVHFFHYHX-LBPRGKRZSA-N 0 0 322.434 0.671 50 0 DCAARN O=c1cc(N2CCCCC2)cnn1CCCN1CCOCC1 ZINC000020256814 395691141 /nfs/dbraw/zinc/69/11/41/395691141.db2.gz GNNKGXGUDAYRAX-UHFFFAOYSA-N 0 0 306.410 0.956 50 0 DCAARN C[C@@H]1C[C@H]1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000023462334 395692404 /nfs/dbraw/zinc/69/24/04/395692404.db2.gz XKDJWXHCVZJHOG-GHMZBOCLSA-N 0 0 300.366 0.668 50 0 DCAARN CC(C)NC(=O)CN1CCN(c2ncnc3c2cnn3C)CC1 ZINC000024245232 395692834 /nfs/dbraw/zinc/69/28/34/395692834.db2.gz MONSRPMBCKZITH-UHFFFAOYSA-N 0 0 317.397 0.010 50 0 DCAARN CNC(=O)c1nn(CN2CCOC[C@H]2C)c(=O)c2ccccc21 ZINC000025481488 395693466 /nfs/dbraw/zinc/69/34/66/395693466.db2.gz ZNRQUDQVTJCCSV-LLVKDONJSA-N 0 0 316.361 0.434 50 0 DCAARN CC(=O)N[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000025407315 395693492 /nfs/dbraw/zinc/69/34/92/395693492.db2.gz WYMAWEXELUSQGU-NSHDSACASA-N 0 0 306.366 0.059 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccnc2)C1 ZINC000000220628 395680085 /nfs/dbraw/zinc/68/00/85/395680085.db2.gz YECXXUPRFVBJGL-CYBMUJFWSA-N 0 0 311.407 0.760 50 0 DCAARN CC[C@@H]1C(=O)N=C(SCC(=O)Nc2ncccn2)NC1=O ZINC000000286744 395680135 /nfs/dbraw/zinc/68/01/35/395680135.db2.gz WCCPBCGCCIHXKN-UHFFFAOYSA-N 0 0 307.335 0.187 50 0 DCAARN COC(=O)c1ccccc1NC(=S)NNS(C)(=O)=O ZINC000000256736 395680225 /nfs/dbraw/zinc/68/02/25/395680225.db2.gz CAKKHYYFIYTTHV-UHFFFAOYSA-N 0 0 303.365 0.224 50 0 DCAARN CC(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000000428726 395680491 /nfs/dbraw/zinc/68/04/91/395680491.db2.gz FWGQESFVKBMFFG-UHFFFAOYSA-N 0 0 310.375 0.617 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(N)=O)c1 ZINC000002620853 395681632 /nfs/dbraw/zinc/68/16/32/395681632.db2.gz WEKYKAXFQWTCJK-UHFFFAOYSA-N 0 0 320.754 0.232 50 0 DCAARN CC(=O)NCCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000002620817 395681639 /nfs/dbraw/zinc/68/16/39/395681639.db2.gz RPCCGLQPCYEGEI-UHFFFAOYSA-N 0 0 313.379 0.402 50 0 DCAARN CCn1ncc(NC(=O)Cn2cc(Cl)c(C)n2)c1C(N)=O ZINC000002778812 395681794 /nfs/dbraw/zinc/68/17/94/395681794.db2.gz FJRZRGOJLAZGID-UHFFFAOYSA-N 0 0 310.745 0.799 50 0 DCAARN CCn1cc(NC(=O)Cn2cc(Cl)c(C)n2)c(C(N)=O)n1 ZINC000002778998 395681800 /nfs/dbraw/zinc/68/18/00/395681800.db2.gz XKVOBPYEYQKQIV-UHFFFAOYSA-N 0 0 310.745 0.799 50 0 DCAARN Cc1nn(CC(=O)NN2CCOCC2)cc1Br ZINC000002778515 395681813 /nfs/dbraw/zinc/68/18/13/395681813.db2.gz VAJFEOBDPVJZCB-UHFFFAOYSA-N 0 0 303.160 0.317 50 0 DCAARN O=S(=O)(c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000004390091 395682470 /nfs/dbraw/zinc/68/24/70/395682470.db2.gz VIPUHMWJPZSJME-ZJUUUORDSA-N 0 0 310.780 0.272 50 0 DCAARN O=S(=O)(NCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000005012168 395682635 /nfs/dbraw/zinc/68/26/35/395682635.db2.gz LCSCHTSUTCJKPM-GFCCVEGCSA-N 0 0 303.405 0.336 50 0 DCAARN CC1(C)CC(=O)C([C@H]2C([N+](=O)[O-])=CNc3nnnn32)C(=O)C1 ZINC000005633868 395682857 /nfs/dbraw/zinc/68/28/57/395682857.db2.gz XFSPOOCIJKZIRH-SNVBAGLBSA-N 0 0 306.282 0.959 50 0 DCAARN Cn1nnnc1S[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000006841887 395683126 /nfs/dbraw/zinc/68/31/26/395683126.db2.gz MHXVYWCZILDMEW-GFCCVEGCSA-N 0 0 319.390 0.902 50 0 DCAARN C[C@@H](O)CN1CCN(S(=O)(=O)Cc2cccc(F)c2)CC1 ZINC000085467241 395700925 /nfs/dbraw/zinc/70/09/25/395700925.db2.gz HKWHGKKQZZCWQH-GFCCVEGCSA-N 0 0 316.398 0.654 50 0 DCAARN CCCS(=O)(=O)N1CCN(C[C@H](O)c2ccco2)CC1 ZINC000030534443 395702956 /nfs/dbraw/zinc/70/29/56/395702956.db2.gz NEVLXFYDJHHONY-LBPRGKRZSA-N 0 0 302.396 0.670 50 0 DCAARN Cc1csc(N2CCN(C(=O)CCn3cncn3)CC2)n1 ZINC000030702378 395703994 /nfs/dbraw/zinc/70/39/94/395703994.db2.gz HHNCBSIGIQANGC-UHFFFAOYSA-N 0 0 306.395 0.782 50 0 DCAARN Cc1nc(C)c(CC(=O)NCc2nnc3ccccn32)c(=O)[nH]1 ZINC000031215490 395705648 /nfs/dbraw/zinc/70/56/48/395705648.db2.gz IRHYSFNIWGUKGE-UHFFFAOYSA-N 0 0 312.333 0.288 50 0 DCAARN CCN(CC)C(=O)N1CCN(C(=O)c2nccnc2N)CC1 ZINC000031502641 395706694 /nfs/dbraw/zinc/70/66/94/395706694.db2.gz XZNKBANREXCERB-UHFFFAOYSA-N 0 0 306.370 0.278 50 0 DCAARN CCNC(=O)NC(=O)CNc1cc(S(C)(=O)=O)ccc1F ZINC000031556874 395707318 /nfs/dbraw/zinc/70/73/18/395707318.db2.gz LTNDZWSDLZLBDB-UHFFFAOYSA-N 0 0 317.342 0.487 50 0 DCAARN O=C(NCCO)c1nc(-c2ccc(Cn3ccnc3)cc2)no1 ZINC000031808739 395708492 /nfs/dbraw/zinc/70/84/92/395708492.db2.gz NQJYJDZKBBVXKT-UHFFFAOYSA-N 0 0 313.317 0.704 50 0 DCAARN CC(C)COCCC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000032248514 395709939 /nfs/dbraw/zinc/70/99/39/395709939.db2.gz XCUOUSCKYGLEID-GFCCVEGCSA-N 0 0 306.428 0.589 50 0 DCAARN COC(=O)c1cccc(CN2CCN(S(C)(=O)=O)CC2)c1 ZINC000032490483 395710941 /nfs/dbraw/zinc/71/09/41/395710941.db2.gz TWMNDAPOGWZTAO-UHFFFAOYSA-N 0 0 312.391 0.550 50 0 DCAARN CCNC(=O)[C@@H](C)NC(=O)/C=C/C(=O)N(C)Cc1ccccc1 ZINC000032736770 395712798 /nfs/dbraw/zinc/71/27/98/395712798.db2.gz FQVBFIXUMYQLAS-OCHBPSSRSA-N 0 0 317.389 0.842 50 0 DCAARN COC(=O)CCCNC(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000032794868 395713374 /nfs/dbraw/zinc/71/33/74/395713374.db2.gz BGDRAQLXCUHKLR-GFCCVEGCSA-N 0 0 306.366 0.762 50 0 DCAARN O=S(=O)(NC[C@@H]1CCS(=O)(=O)C1)c1cccc(F)c1 ZINC000032771428 395713425 /nfs/dbraw/zinc/71/34/25/395713425.db2.gz KXSKGHUWJQJTEM-VIFPVBQESA-N 0 0 307.368 0.539 50 0 DCAARN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(C)C[C@H]1C ZINC000089608836 395713517 /nfs/dbraw/zinc/71/35/17/395713517.db2.gz YGBAAZUQRXWTDX-SECBINFHSA-N 0 0 317.436 0.480 50 0 DCAARN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000032808872 395713616 /nfs/dbraw/zinc/71/36/16/395713616.db2.gz DHQMONRRAXXTRK-WCQYABFASA-N 0 0 315.439 0.706 50 0 DCAARN CC(C)N1C[C@@H](C(=O)N2CCN(c3ccccn3)CC2)CC1=O ZINC000032815913 395713626 /nfs/dbraw/zinc/71/36/26/395713626.db2.gz RURLRJBWPNMTMN-AWEZNQCLSA-N 0 0 316.405 0.987 50 0 DCAARN CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN([C@@H]2CCOC2=O)C1 ZINC000089702315 395714537 /nfs/dbraw/zinc/71/45/37/395714537.db2.gz FOBCNVOUWSVQMH-CHWSQXEVSA-N 0 0 307.350 0.721 50 0 DCAARN Cn1ccnc1Cn1cnc2c(nnn2-c2ccccc2)c1=O ZINC000089761477 395714943 /nfs/dbraw/zinc/71/49/43/395714943.db2.gz CZRIIIUZRDBYAO-UHFFFAOYSA-N 0 0 307.317 0.759 50 0 DCAARN CCc1nnc2ccc(C(=O)NCCCN3CCOCC3)cn21 ZINC000033261867 395716982 /nfs/dbraw/zinc/71/69/82/395716982.db2.gz GHSNQRLCZATGFS-UHFFFAOYSA-N 0 0 317.393 0.744 50 0 DCAARN CCC(CC)(CCO)CNC(=O)CCSc1nnnn1C ZINC000089943017 395717155 /nfs/dbraw/zinc/71/71/55/395717155.db2.gz DLQVATMVGUUYNO-UHFFFAOYSA-N 0 0 315.443 0.997 50 0 DCAARN CCCNC(=O)[C@H]1CCCN(c2cc(=O)n(C)c(=O)n2CC)C1 ZINC000035513405 395720628 /nfs/dbraw/zinc/72/06/28/395720628.db2.gz LYERKJMAZASBEA-LBPRGKRZSA-N 0 0 322.409 0.310 50 0 DCAARN CCCNC(=O)[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2CC)C1 ZINC000035513403 395720938 /nfs/dbraw/zinc/72/09/38/395720938.db2.gz LYERKJMAZASBEA-GFCCVEGCSA-N 0 0 322.409 0.310 50 0 DCAARN Cn1cnc(S(=O)(=O)NCCCN2CCCC2=O)c1Cl ZINC000027967705 395695506 /nfs/dbraw/zinc/69/55/06/395695506.db2.gz JVYBLHGIWIPGNV-UHFFFAOYSA-N 0 0 320.802 0.364 50 0 DCAARN COCCn1nc(C(=O)N[C@H](C)c2ccccn2)ccc1=O ZINC000028783449 395696228 /nfs/dbraw/zinc/69/62/28/395696228.db2.gz FYZNUWSGMZOJRT-LLVKDONJSA-N 0 0 302.334 0.776 50 0 DCAARN O=C(CN1CCN(C[C@H](O)c2ccccc2F)CC1)NC1CC1 ZINC000028914652 395696392 /nfs/dbraw/zinc/69/63/92/395696392.db2.gz DTCVIZOSZSFGHH-INIZCTEOSA-N 0 0 321.396 0.755 50 0 DCAARN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCCCCC1 ZINC000029166350 395697098 /nfs/dbraw/zinc/69/70/98/395697098.db2.gz RGPXCDMPGNZDSZ-GFCCVEGCSA-N 0 0 302.440 0.944 50 0 DCAARN Cc1sc2ncn(C[C@H](O)CN3CCOCC3)c(=O)c2c1C ZINC000029333994 395697587 /nfs/dbraw/zinc/69/75/87/395697587.db2.gz FPMJGPVHOJWTEI-GFCCVEGCSA-N 0 0 323.418 0.768 50 0 DCAARN CC(C)N1C(=O)N[C@@]2(CCN(CCOCC(F)(F)F)C2)C1=O ZINC000084597351 395698125 /nfs/dbraw/zinc/69/81/25/395698125.db2.gz QFJQUROVBKUKDE-GFCCVEGCSA-N 0 0 323.315 0.970 50 0 DCAARN Cc1cc(N2CCOCC2)ccc1N[C@@H](C)C(=O)NC(N)=O ZINC000040511801 395734071 /nfs/dbraw/zinc/73/40/71/395734071.db2.gz ABJYPBTWBUXPHW-NSHDSACASA-N 0 0 306.366 0.827 50 0 DCAARN Cc1cc(N2CCOCC2)ccc1N[C@H](C)C(=O)NC(N)=O ZINC000040511802 395734227 /nfs/dbraw/zinc/73/42/27/395734227.db2.gz ABJYPBTWBUXPHW-LLVKDONJSA-N 0 0 306.366 0.827 50 0 DCAARN COc1ccc(NC(=O)NCCOc2nonc2C)c(OC)n1 ZINC000096163698 395746785 /nfs/dbraw/zinc/74/67/85/395746785.db2.gz BFVYVFRUKJOMBT-UHFFFAOYSA-N 0 0 323.309 0.991 50 0 DCAARN Cc1nc(NC[C@@H]2CCCO2)cc(C(=O)N2CCOCC2)n1 ZINC000096182817 395747299 /nfs/dbraw/zinc/74/72/99/395747299.db2.gz FGGAZEKAIHUTLV-LBPRGKRZSA-N 0 0 306.366 0.848 50 0 DCAARN CN(Cc1noc(C2CC2)n1)[C@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC000095402289 395740654 /nfs/dbraw/zinc/74/06/54/395740654.db2.gz QFXWUFJWRYLDLK-QWHCGFSZSA-N 0 0 319.409 0.684 50 0 DCAARN O=S1(=O)CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000095707532 395740998 /nfs/dbraw/zinc/74/09/98/395740998.db2.gz LACBIFKKUQUYGG-UHFFFAOYSA-N 0 0 301.339 0.923 50 0 DCAARN Cn1nnnc1COc1ccccc1C(=O)N1CCSCC1 ZINC000096101396 395744234 /nfs/dbraw/zinc/74/42/34/395744234.db2.gz DWFUNVZYRAOJHN-UHFFFAOYSA-N 0 0 319.390 0.978 50 0 DCAARN CCCN1C(=O)N[C@H](CC(=O)N2CCc3[nH]cnc3C2)C1=O ZINC000096138130 395746039 /nfs/dbraw/zinc/74/60/39/395746039.db2.gz BSECNOSQYGLRNW-SNVBAGLBSA-N 0 0 305.338 0.015 50 0 DCAARN Cc1nnnn1/C(=C/c1ccccc1)C(=O)N1CCN(C)CC1 ZINC000096405070 395752858 /nfs/dbraw/zinc/75/28/58/395752858.db2.gz DBDMTXBTFXSTFF-NTCAYCPXSA-N 0 0 312.377 0.754 50 0 DCAARN C[C@@H]1COC[C@H](C)N1C(=O)CCn1nc2ccccn2c1=O ZINC000096419091 395753304 /nfs/dbraw/zinc/75/33/04/395753304.db2.gz YKOXBFYOIZOSGK-TXEJJXNPSA-N 0 0 304.350 0.522 50 0 DCAARN O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000097197929 395755641 /nfs/dbraw/zinc/75/56/41/395755641.db2.gz ULQNLFMYSNGFJK-CHWSQXEVSA-N 0 0 302.378 0.573 50 0 DCAARN COCc1cc(N[C@H]2CCc3nnc(C)n3C2)n2ncnc2n1 ZINC000097199273 395755668 /nfs/dbraw/zinc/75/56/68/395755668.db2.gz TUUVHRWHPCFQIM-JTQLQIEISA-N 0 0 314.353 0.598 50 0 DCAARN C[C@@H](C(N)=O)N1CCN(CCC(=O)c2ccc(F)cc2)CC1 ZINC000097232030 395756490 /nfs/dbraw/zinc/75/64/90/395756490.db2.gz XAVZTQZKEIWKIQ-LBPRGKRZSA-N 0 0 307.369 0.890 50 0 DCAARN CN(Cc1ccc2nsnc2c1)C(=O)Cn1cccnc1=O ZINC000097272386 395756674 /nfs/dbraw/zinc/75/66/74/395756674.db2.gz ZEXNGGGSIDFCBY-UHFFFAOYSA-N 0 0 315.358 0.907 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000046889713 395782357 /nfs/dbraw/zinc/78/23/57/395782357.db2.gz JXDLAMNHFMUMKR-TZMCWYRMSA-N 0 0 317.389 0.949 50 0 DCAARN CC(=O)N1CCC[N@@H+]([C@H]2CN(Cc3noc(C)n3)C[C@H]2C)CC1 ZINC000107142001 395784593 /nfs/dbraw/zinc/78/45/93/395784593.db2.gz HXURRSCERMCRLT-DOMZBBRYSA-N 0 0 321.425 0.753 50 0 DCAARN CC[C@@H](O)Cn1nc(C2CCOCC2)nc1C1(C(N)=O)CC1 ZINC000097601167 395759266 /nfs/dbraw/zinc/75/92/66/395759266.db2.gz PEGNCLQPFTXYNQ-LLVKDONJSA-N 0 0 308.382 0.460 50 0 DCAARN [NH3+]Cc1ccc(-c2nc([C@H]3CCOC3)nn2CC(=O)[O-])cc1 ZINC000097655426 395759594 /nfs/dbraw/zinc/75/95/94/395759594.db2.gz ZXQSGHVGQLDLAJ-LBPRGKRZSA-N 0 0 302.334 0.992 50 0 DCAARN CC(=O)N1CCN(C(=O)c2ccc3c(c2)CCC3)C[C@@H](O)C1 ZINC000097655329 395759682 /nfs/dbraw/zinc/75/96/82/395759682.db2.gz WHLKZDIEJUJAIA-INIZCTEOSA-N 0 0 302.374 0.841 50 0 DCAARN Nc1nc(CCC(=O)N2Cc3cnn(CCO)c3C2)cs1 ZINC000097681921 395759913 /nfs/dbraw/zinc/75/99/13/395759913.db2.gz ABXJWNUDZHTRJY-UHFFFAOYSA-N 0 0 307.379 0.389 50 0 DCAARN C[C@H](C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)n1cccn1 ZINC000098010377 395761264 /nfs/dbraw/zinc/76/12/64/395761264.db2.gz NBYHPNZIIRFCFB-PWSUYJOCSA-N 0 0 302.338 0.099 50 0 DCAARN Cn1c2cncnc2n([C@H]2CCN(C(=O)c3ccco3)C2)c1=O ZINC000097940718 395761393 /nfs/dbraw/zinc/76/13/93/395761393.db2.gz NIPUKWLGKRNPBT-JTQLQIEISA-N 0 0 313.317 0.810 50 0 DCAARN NC(=O)C1=C(NC[C@H]2CCCO2)c2ccccc2S1(=O)=O ZINC000101514409 395764762 /nfs/dbraw/zinc/76/47/62/395764762.db2.gz SXEQOAQJYQNSRF-SECBINFHSA-N 0 0 308.359 0.396 50 0 DCAARN O=c1c(=O)c(NCc2ccccn2)c1NCCCn1ccnc1 ZINC000101695699 395766715 /nfs/dbraw/zinc/76/67/15/395766715.db2.gz XPRYDUCMNNWBFV-UHFFFAOYSA-N 0 0 311.345 0.988 50 0 DCAARN O=C1C[C@@H](N[C@H]2CCS(=O)(=O)C2)C(=O)N1c1ccccc1 ZINC000102439425 395769978 /nfs/dbraw/zinc/76/99/78/395769978.db2.gz WBHBBEUMIDCPBF-CMPLNLGQSA-N 0 0 308.359 0.095 50 0 DCAARN COC(=O)[C@H](CC(C)C)NC(=O)CN1CCC(CO)CC1 ZINC000046091231 395770481 /nfs/dbraw/zinc/77/04/81/395770481.db2.gz HYIWORDXSYAXKF-ZDUSSCGKSA-N 0 0 300.399 0.395 50 0 DCAARN NC(=O)C1(CNC(=O)c2[nH]nc3ccccc32)CCOCC1 ZINC000047931149 395803010 /nfs/dbraw/zinc/80/30/10/395803010.db2.gz KHQCOJZISWDOMS-UHFFFAOYSA-N 0 0 302.334 0.575 50 0 DCAARN O=C(NCCOc1ccc2c(c1)OCO2)[C@@H]1CCC(=O)NC1 ZINC000048301194 395813471 /nfs/dbraw/zinc/81/34/71/395813471.db2.gz MNKMJKKLBXQCCG-SNVBAGLBSA-N 0 0 306.318 0.437 50 0 DCAARN CC[C@H](C)[C@@H](C)NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000195093250 395816218 /nfs/dbraw/zinc/81/62/18/395816218.db2.gz UZJXFLXOGFQUNP-DTWKUNHWSA-N 0 0 321.381 0.433 50 0 DCAARN CCOCCCOC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000225483805 395860509 /nfs/dbraw/zinc/86/05/09/395860509.db2.gz HWVYOWVZQREURZ-LLVKDONJSA-N 0 0 308.396 0.939 50 0 DCAARN O=C(Cn1cc(C(F)(F)F)ccc1=O)N[C@@H]1CCOC[C@H]1O ZINC000219262982 395844740 /nfs/dbraw/zinc/84/47/40/395844740.db2.gz ZQWVPCAJZYXOJS-NXEZZACHSA-N 0 0 320.267 0.133 50 0 DCAARN COCCc1noc([C@@H](C)NC(=O)c2[nH]nc(N)c2Cl)n1 ZINC000219083160 395844742 /nfs/dbraw/zinc/84/47/42/395844742.db2.gz JRCHPPZKTSUHQQ-RXMQYKEDSA-N 0 0 314.733 0.708 50 0 DCAARN CCn1cc(C(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)cn1 ZINC000219173626 395844771 /nfs/dbraw/zinc/84/47/71/395844771.db2.gz GAOMSEBRRYBBDT-DBRPNBKGSA-N 0 0 303.366 0.879 50 0 DCAARN Cc1ccc(O[C@H]2CCCN(C(=O)N3CCNC3=O)C2)nn1 ZINC000225466151 395860693 /nfs/dbraw/zinc/86/06/93/395860693.db2.gz XRFFSRJYZOTXFH-NSHDSACASA-N 0 0 305.338 0.773 50 0 DCAARN COCc1noc(CNC(=O)Cn2ncc3ccccc32)n1 ZINC000219459532 395845410 /nfs/dbraw/zinc/84/54/10/395845410.db2.gz RHRGTZPLXPLUIL-UHFFFAOYSA-N 0 0 301.306 0.882 50 0 DCAARN NC(=O)[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)CCO1 ZINC000051164355 395847577 /nfs/dbraw/zinc/84/75/77/395847577.db2.gz SCFOQYFBTQHEPZ-CQSZACIVSA-N 0 0 320.370 0.715 50 0 DCAARN COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCCO)cc1F ZINC000220106780 395847736 /nfs/dbraw/zinc/84/77/36/395847736.db2.gz LJLAJAJZMFTSAC-TZMCWYRMSA-N 0 0 313.325 0.731 50 0 DCAARN C[C@@H](C(=O)NCCc1nc(N)cc(=O)[nH]1)n1cc(Cl)cn1 ZINC000220181280 395848034 /nfs/dbraw/zinc/84/80/34/395848034.db2.gz YQFAZRMJANOUET-ZETCQYMHSA-N 0 0 310.745 0.534 50 0 DCAARN CN(C)C(=O)c1ccc(CNC(=O)CN2CCC[C@H](O)C2)cc1 ZINC000051204319 395848520 /nfs/dbraw/zinc/84/85/20/395848520.db2.gz UQJUNHGVWHHOPB-HNNXBMFYSA-N 0 0 319.405 0.461 50 0 DCAARN Cc1ccc(O[C@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 ZINC000225459334 395860843 /nfs/dbraw/zinc/86/08/43/395860843.db2.gz QQBZECNLPXWLQG-NWDGAFQWSA-N 0 0 304.350 0.433 50 0 DCAARN CSCC(=O)N[C@@H]1COCC[C@H]1Oc1ccc(C(N)=O)cc1 ZINC000220359546 395848692 /nfs/dbraw/zinc/84/86/92/395848692.db2.gz SXMXBLAQKVXNSC-CHWSQXEVSA-N 0 0 324.402 0.801 50 0 DCAARN CCOc1ccc(C(=O)N2CCN(c3ncc[nH]c3=O)CC2)o1 ZINC000221399962 395851559 /nfs/dbraw/zinc/85/15/59/395851559.db2.gz BUCMTYUGBLVIAS-UHFFFAOYSA-N 0 0 318.333 0.724 50 0 DCAARN CCN(Cc1nc(C(C)C)no1)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000222913903 395853542 /nfs/dbraw/zinc/85/35/42/395853542.db2.gz UMZLEWUFSXCWPW-VIFPVBQESA-N 0 0 323.353 0.530 50 0 DCAARN CC(C)Cn1cncc1CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000223124811 395854089 /nfs/dbraw/zinc/85/40/89/395854089.db2.gz BYOZIFXEYJKIFC-UHFFFAOYSA-N 0 0 321.381 0.486 50 0 DCAARN Cc1nn[nH]c1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 ZINC000223354019 395855226 /nfs/dbraw/zinc/85/52/26/395855226.db2.gz COTVBGVSVXDAMG-GHMZBOCLSA-N 0 0 303.322 0.474 50 0 DCAARN O=C(CN1CCOC1=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 ZINC000223747031 395856306 /nfs/dbraw/zinc/85/63/06/395856306.db2.gz QHIAGJMWZYCKOQ-VXGBXAGGSA-N 0 0 321.333 0.186 50 0 DCAARN Cn1c(=O)[nH]cc(CC(=O)N2CCC3(CCOCC3)CC2)c1=O ZINC000223862736 395856609 /nfs/dbraw/zinc/85/66/09/395856609.db2.gz GUWUWCDNQMXLOP-UHFFFAOYSA-N 0 0 321.377 0.035 50 0 DCAARN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)S(=O)(=O)c1nncn1C ZINC000047633150 395798644 /nfs/dbraw/zinc/79/86/44/395798644.db2.gz KRDAWJXQCFOKID-OUAUKWLOSA-N 0 0 314.411 0.482 50 0 DCAARN CCNC(=O)CN1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000054173569 395895398 /nfs/dbraw/zinc/89/53/98/395895398.db2.gz LKOLKZAXVNTOPO-UHFFFAOYSA-N 0 0 319.405 0.712 50 0 DCAARN Cc1noc(C2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)n1 ZINC000054347541 395897922 /nfs/dbraw/zinc/89/79/22/395897922.db2.gz CTGNOXJYYCHJCK-ZDUSSCGKSA-N 0 0 308.382 0.853 50 0 DCAARN Cc1noc([C@@H]2CCCN(CC(=O)N3CCO[C@H](C)C3)C2)n1 ZINC000054676414 395903914 /nfs/dbraw/zinc/90/39/14/395903914.db2.gz DRDBOMQNAOBIOU-DGCLKSJQSA-N 0 0 308.382 0.805 50 0 DCAARN CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(OC)c1 ZINC000055008582 395908964 /nfs/dbraw/zinc/90/89/64/395908964.db2.gz UNAWHJLPLGCWPN-CQSZACIVSA-N 0 0 306.362 0.949 50 0 DCAARN C[C@H](C(=O)[O-])[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000237439734 395912777 /nfs/dbraw/zinc/91/27/77/395912777.db2.gz NINFOKPSIMLISW-LLVKDONJSA-N 0 0 309.341 0.855 50 0 DCAARN Cc1cc(C[C@H](C)NC(=O)CSc2nnc(N)s2)[nH]n1 ZINC000055403573 395918757 /nfs/dbraw/zinc/91/87/57/395918757.db2.gz QODKINNYMPXIDO-LURJTMIESA-N 0 0 312.424 0.991 50 0 DCAARN O=C(NCCn1nnc2ccc(F)cc2c1=O)[C@H]1CCCO1 ZINC000238868188 395923115 /nfs/dbraw/zinc/92/31/15/395923115.db2.gz MGLPOJFITGMDHX-GFCCVEGCSA-N 0 0 306.297 0.226 50 0 DCAARN C[N@@H+]1C[C@@H](NC(=O)CC2=CSC3=NCCCN23)C[C@H]1C(=O)[O-] ZINC000244882841 395926127 /nfs/dbraw/zinc/92/61/27/395926127.db2.gz YAEYXQMNUDXVPV-ONGXEEELSA-N 0 0 324.406 0.300 50 0 DCAARN Cc1cc(C)n2nc(C(=O)N[C@H](CO)C3CCOCC3)nc2n1 ZINC000225572845 395862156 /nfs/dbraw/zinc/86/21/56/395862156.db2.gz BJVGLSZUCGNISP-GFCCVEGCSA-N 0 0 319.365 0.258 50 0 DCAARN O=C(CNC(=O)OCc1ccccc1)N1CC(n2ccnn2)C1 ZINC000225693571 395862461 /nfs/dbraw/zinc/86/24/61/395862461.db2.gz IHMNAYONVQTMRV-UHFFFAOYSA-N 0 0 315.333 0.588 50 0 DCAARN CCCN(C(=O)Cc1ccc(C)nc1)[C@H]1CC(=O)N(C)C1=O ZINC000225769302 395862761 /nfs/dbraw/zinc/86/27/61/395862761.db2.gz PCARALVIIULJSS-ZDUSSCGKSA-N 0 0 303.362 0.928 50 0 DCAARN COC1(CNC(=O)C(=O)Nc2ccon2)Cc2ccccc2C1 ZINC000225722065 395863120 /nfs/dbraw/zinc/86/31/20/395863120.db2.gz WUHLRQRCFYIKHQ-UHFFFAOYSA-N 0 0 315.329 0.913 50 0 DCAARN Cc1nccn1CC(=O)NCc1nc(-c2ccc[nH]c2=O)no1 ZINC000225803587 395863711 /nfs/dbraw/zinc/86/37/11/395863711.db2.gz FFAJVHBIPBNPIA-UHFFFAOYSA-N 0 0 314.305 0.246 50 0 DCAARN Cc1ccoc1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000052610901 395866849 /nfs/dbraw/zinc/86/68/49/395866849.db2.gz XZRDIFFTOVVMGA-LBPRGKRZSA-N 0 0 312.391 0.533 50 0 DCAARN CNC(=O)CCNC(=O)[C@H](C)Oc1ccn(-c2ccccc2)n1 ZINC000226853174 395867099 /nfs/dbraw/zinc/86/70/99/395867099.db2.gz SGORWUDUMJYENF-LBPRGKRZSA-N 0 0 316.361 0.892 50 0 DCAARN O=C1N[C@@]2(O)C(=O)c3ccccc3[C@]2(O)N1c1cccc(O)c1 ZINC000226761181 395867302 /nfs/dbraw/zinc/86/73/02/395867302.db2.gz SOSVHHARGGATPT-HZPDHXFCSA-N 0 0 312.281 0.652 50 0 DCAARN COc1ccc(CN(C)C(=O)[C@@H](C)N(C)CC(N)=O)cc1F ZINC000052831589 395870995 /nfs/dbraw/zinc/87/09/95/395870995.db2.gz GDYXENFXWGUNRF-SNVBAGLBSA-N 0 0 311.357 0.598 50 0 DCAARN COc1ccc(CN(C)C(=O)CN2CCN(CCO)CC2)cc1 ZINC000052876753 395872866 /nfs/dbraw/zinc/87/28/66/395872866.db2.gz UCRVBPRLSJNYKQ-UHFFFAOYSA-N 0 0 321.421 0.264 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCO[C@@H](c3nnc(C)[nH]3)C2)on1 ZINC000229284630 395874337 /nfs/dbraw/zinc/87/43/37/395874337.db2.gz PYFMZJXHUPFYDP-GXSJLCMTSA-N 0 0 320.353 0.810 50 0 DCAARN NC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000229496901 395874790 /nfs/dbraw/zinc/87/47/90/395874790.db2.gz VRAWLFBVBURTFU-ZIAGYGMSSA-N 0 0 302.378 0.703 50 0 DCAARN Cn1cc(/C=C2\c3cc(S(N)(=O)=O)ccc3NC2=O)cn1 ZINC000053107520 395876359 /nfs/dbraw/zinc/87/63/59/395876359.db2.gz QEKJWOKGCNMZQP-NYYWCZLTSA-N 0 0 304.331 0.560 50 0 DCAARN C[C@H](C(=O)N1CCCC1)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000229778506 395876671 /nfs/dbraw/zinc/87/66/71/395876671.db2.gz HDQCIPSKGDISKP-VXGBXAGGSA-N 0 0 303.428 0.011 50 0 DCAARN CN1N=C(C(=O)N2CCN(c3ccccn3)CC2)CCC1=O ZINC000053163052 395877414 /nfs/dbraw/zinc/87/74/14/395877414.db2.gz AGGZFEFEKUNAKV-UHFFFAOYSA-N 0 0 301.350 0.338 50 0 DCAARN CC[C@H](C)[C@@H](CO)NC(=O)Cn1cnc2ccsc2c1=O ZINC000230216750 395879448 /nfs/dbraw/zinc/87/94/48/395879448.db2.gz IYHLHGAGAYQRLN-GXSJLCMTSA-N 0 0 309.391 0.981 50 0 DCAARN CC[C@H](C)[C@@H](CO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000230202762 395879631 /nfs/dbraw/zinc/87/96/31/395879631.db2.gz IDBVGXPJOLAWAL-GXFFZTMASA-N 0 0 319.361 0.213 50 0 biogenic DCAARN O=C(NCc1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000058018958 395951158 /nfs/dbraw/zinc/95/11/58/395951158.db2.gz WIAJYVCWNNYQOM-CYBMUJFWSA-N 0 0 319.386 0.923 50 0 DCAARN Cc1nc(-c2ccccc2)n(Cc2cc(=O)n(C)c(=O)n2C)n1 ZINC000066081349 396000651 /nfs/dbraw/zinc/00/06/51/396000651.db2.gz LOIPCGIQMJXNEQ-UHFFFAOYSA-N 0 0 311.345 0.699 50 0 DCAARN Cc1noc2nc(C)n(CC(=O)NCCc3ccco3)c(=O)c12 ZINC000064960632 395989966 /nfs/dbraw/zinc/98/99/66/395989966.db2.gz VGEXMCCQZPXTQD-UHFFFAOYSA-N 0 0 316.317 0.953 50 0 DCAARN CC(C)CNC(=O)Cn1ncc2c1ncnc2N1CCOCC1 ZINC000065295126 395991967 /nfs/dbraw/zinc/99/19/67/395991967.db2.gz BSNKKMBKYPJYAD-UHFFFAOYSA-N 0 0 318.381 0.435 50 0 DCAARN O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)N1CCCCCC1 ZINC000065463268 395994223 /nfs/dbraw/zinc/99/42/23/395994223.db2.gz SPKJMZKBEOARBM-NEPJUHHUSA-N 0 0 301.412 0.460 50 0 DCAARN Cn1cc([C@@H]2C[C@H]2C(=O)N2CCN(c3ncccn3)CC2)cn1 ZINC000065523222 395994367 /nfs/dbraw/zinc/99/43/67/395994367.db2.gz KSRFRVWLOYZLSV-UONOGXRCSA-N 0 0 312.377 0.662 50 0 DCAARN COc1ccnc(N2CCN(C(=O)[C@@H](C)OCC3CC3)CC2)n1 ZINC000065611250 395995273 /nfs/dbraw/zinc/99/52/73/395995273.db2.gz ATLCEIBVLWHZFP-GFCCVEGCSA-N 0 0 320.393 0.949 50 0 DCAARN CCO[C@H](C)C(=O)NC[C@@H](CNC(=O)[C@H](C)OCC)OC ZINC000252512113 396022667 /nfs/dbraw/zinc/02/26/67/396022667.db2.gz MRJCXINXHLDZDA-GDNZZTSVSA-N 0 0 304.387 0.084 50 0 DCAARN O=C(CCN1CCCO1)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000252537373 396023516 /nfs/dbraw/zinc/02/35/16/396023516.db2.gz KZUPRKBCAOJNJB-IMJJTQAJSA-N 0 0 319.405 0.907 50 0 DCAARN COC(=O)[C@@H]1CC[C@@H](C(=O)Nc2cnn(C[C@H]3CCCO3)c2)O1 ZINC000253369622 396026471 /nfs/dbraw/zinc/02/64/71/396026471.db2.gz FTNZRNFXYJVXMQ-AGIUHOORSA-N 0 0 323.349 0.721 50 0 DCAARN C[C@H](CC(=O)c1ccco1)NC(=O)CNS(=O)(=O)C1CC1 ZINC000253392934 396026506 /nfs/dbraw/zinc/02/65/06/396026506.db2.gz MIVHDRJSAIYKQT-SECBINFHSA-N 0 0 314.363 0.439 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1COC ZINC000253410660 396026940 /nfs/dbraw/zinc/02/69/40/396026940.db2.gz NOKKPKQUNHAUKW-GXTWGEPZSA-N 0 0 306.362 0.532 50 0 DCAARN COC[C@@H]1CN(S(=O)(=O)Cc2ccccc2)C[C@H]1C(N)=O ZINC000253396735 396027246 /nfs/dbraw/zinc/02/72/46/396027246.db2.gz BFWMDHRUSPBGLT-QWHCGFSZSA-N 0 0 312.391 0.196 50 0 DCAARN COC[C@@H]1CN(C(=O)CCc2cccc(OC)c2)C[C@H]1C(N)=O ZINC000253409634 396027365 /nfs/dbraw/zinc/02/73/65/396027365.db2.gz MDQLVRBUDQWOJW-DZGCQCFKSA-N 0 0 320.389 0.834 50 0 DCAARN CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H](O)C(F)F)c1 ZINC000253429182 396028478 /nfs/dbraw/zinc/02/84/78/396028478.db2.gz PVBFRSKMKIINMR-SNVBAGLBSA-N 0 0 322.333 0.293 50 0 DCAARN CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccsc1 ZINC000253471103 396028563 /nfs/dbraw/zinc/02/85/63/396028563.db2.gz LNXPRJNCQQCCOP-VIFPVBQESA-N 0 0 323.374 0.877 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000253430239 396028670 /nfs/dbraw/zinc/02/86/70/396028670.db2.gz YAMGQLHMQZVQTK-SNVBAGLBSA-N 0 0 300.384 0.933 50 0 DCAARN CO[C@H](C)CS(=O)(=O)N1CCC[C@@H](c2nccn2C)C1 ZINC000253428355 396028742 /nfs/dbraw/zinc/02/87/42/396028742.db2.gz AEEGZCFAJOJCRK-VXGBXAGGSA-N 0 0 301.412 0.964 50 0 DCAARN CO[C@H](C)CS(=O)(=O)N1CCC[C@H](c2nccn2C)C1 ZINC000253428343 396028987 /nfs/dbraw/zinc/02/89/87/396028987.db2.gz AEEGZCFAJOJCRK-NEPJUHHUSA-N 0 0 301.412 0.964 50 0 DCAARN Cc1nc(CN2CC(S(=O)(=O)NC3CCCC3)C2)no1 ZINC000253432315 396029011 /nfs/dbraw/zinc/02/90/11/396029011.db2.gz XVZRRPTWUCAMMV-UHFFFAOYSA-N 0 0 300.384 0.424 50 0 DCAARN COC(=O)C1=CNC(=O)C([C@H](CC(N)=O)c2ccncc2)C1=O ZINC000253623800 396031141 /nfs/dbraw/zinc/03/11/41/396031141.db2.gz MGTFNGFFDVJTPJ-SECBINFHSA-N 0 0 317.301 0.682 50 0 biogenic DCAARN CCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH2+]CC(=O)NC(C)C)C2 ZINC000067726764 396031751 /nfs/dbraw/zinc/03/17/51/396031751.db2.gz BQOIAHKEIRUQHP-SNVBAGLBSA-N 0 0 308.382 0.573 50 0 DCAARN Cc1cccc(Cn2[nH]ccc2=NC(=O)CN2CCOCC2)c1 ZINC000254704359 396032279 /nfs/dbraw/zinc/03/22/79/396032279.db2.gz PFDSLNYFVKZPPT-UHFFFAOYSA-N 0 0 314.389 0.932 50 0 DCAARN CCn1cnnc1CCNC(=O)[C@@H]1COc2ccccc2O1 ZINC000067785235 396034096 /nfs/dbraw/zinc/03/40/96/396034096.db2.gz AEIHPGWKBUKOHX-ZDUSSCGKSA-N 0 0 302.334 0.797 50 0 DCAARN Cn1nc(N2CC[C@@H](NC(=O)c3ccsc3)C2)ccc1=O ZINC000257188534 396034733 /nfs/dbraw/zinc/03/47/33/396034733.db2.gz MUYHQBBJWPSWBG-LLVKDONJSA-N 0 0 304.375 0.851 50 0 DCAARN O=C1CN(Cc2cccc3[nH]ccc32)C(=O)[C@@H]2C[C@H](O)CCN12 ZINC000067817870 396035024 /nfs/dbraw/zinc/03/50/24/396035024.db2.gz OOMSJBNRXNOVES-DOMZBBRYSA-N 0 0 313.357 0.862 50 0 DCAARN CC(=O)N1CC[C@H]2CN(C(=O)C(C)C)C[C@@]2(c2nc(C)no2)C1 ZINC000257195084 396035999 /nfs/dbraw/zinc/03/59/99/396035999.db2.gz VIPMBMBSITWFSD-BBRMVZONSA-N 0 0 320.393 0.982 50 0 DCAARN Nc1nnnn1CC(=O)N1CCCC[C@@H]1CCc1ccccn1 ZINC000067881004 396038252 /nfs/dbraw/zinc/03/82/52/396038252.db2.gz JJDIFSYIENROEK-CYBMUJFWSA-N 0 0 315.381 0.664 50 0 DCAARN COc1ccc(CN2CCN3CCN(C)C(=O)[C@H]3C2)cc1F ZINC000067920040 396038967 /nfs/dbraw/zinc/03/89/67/396038967.db2.gz IJUMJEBLXFANDV-CQSZACIVSA-N 0 0 307.369 0.793 50 0 DCAARN CN(Cc1cc(C(C)(C)C)n[nH]1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000067947781 396039867 /nfs/dbraw/zinc/03/98/67/396039867.db2.gz LXTHFLISFOIUHN-GHMZBOCLSA-N 0 0 301.412 0.297 50 0 DCAARN CC[C@H](C)NC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000069148544 396072034 /nfs/dbraw/zinc/07/20/34/396072034.db2.gz CFRPABURRVCVJO-NSHDSACASA-N 0 0 305.444 0.593 50 0 DCAARN CCOC(=O)N1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000068049040 396043949 /nfs/dbraw/zinc/04/39/49/396043949.db2.gz ZBWAHTPERBCCLL-UONOGXRCSA-N 0 0 316.398 0.317 50 0 DCAARN O=c1scnn1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000155197583 396048464 /nfs/dbraw/zinc/04/84/64/396048464.db2.gz AOKSJYUQGQVBHS-UHFFFAOYSA-N 0 0 315.376 0.731 50 0 DCAARN CCOc1cccc2c1OC[C@@H](C(=O)N[C@@H](CO)COC)C2 ZINC000252479896 396019983 /nfs/dbraw/zinc/01/99/83/396019983.db2.gz BOUWTBNEEOJZBO-STQMWFEESA-N 0 0 309.362 0.760 50 0 DCAARN Cc1cc(C)cc([C@H](O)CNC(=O)NCc2nnn(C)n2)c1 ZINC000252492667 396020660 /nfs/dbraw/zinc/02/06/60/396020660.db2.gz MRWNTSOLTPWRNT-GFCCVEGCSA-N 0 0 304.354 0.360 50 0 DCAARN COc1ccccc1N1CC[C@H](NC(=O)Cc2cc[nH]n2)C1=O ZINC000163796080 396086877 /nfs/dbraw/zinc/08/68/77/396086877.db2.gz OTDNZRVSKJYILV-LBPRGKRZSA-N 0 0 314.345 0.883 50 0 DCAARN Cc1noc([C@H]2CCCN(Cc3nc(N)nc(N(C)C)n3)C2)n1 ZINC000069705919 396087723 /nfs/dbraw/zinc/08/77/23/396087723.db2.gz HLBVRIMHVRYLAB-JTQLQIEISA-N 0 0 318.385 0.591 50 0 DCAARN CCn1ccnc1CN1CCCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000069738380 396088157 /nfs/dbraw/zinc/08/81/57/396088157.db2.gz JPQFCFXSERROLL-CQSZACIVSA-N 0 0 306.410 0.974 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)c2cn(C)nc2C(F)(F)F)CC1 ZINC000069773747 396090449 /nfs/dbraw/zinc/09/04/49/396090449.db2.gz SUHIUBHOHJFAQN-VIFPVBQESA-N 0 0 320.315 0.578 50 0 DCAARN CNC(=O)NC(=O)CNc1ccc(OC)cc1C(=O)NC1CC1 ZINC000069808778 396091275 /nfs/dbraw/zinc/09/12/75/396091275.db2.gz QBRBPOALYKMUSG-UHFFFAOYSA-N 0 0 320.349 0.455 50 0 DCAARN COCCn1nc2n(c1=O)CCN(Cc1scnc1C)CC2 ZINC000169783012 396091676 /nfs/dbraw/zinc/09/16/76/396091676.db2.gz ZDXZXIVVHAESCD-UHFFFAOYSA-N 0 0 323.422 0.514 50 0 DCAARN CCc1nnc2n1CCN([C@H](C)C(=O)Nc1cc(C)no1)C2 ZINC000069849066 396091956 /nfs/dbraw/zinc/09/19/56/396091956.db2.gz ITDUAYNODALISV-SNVBAGLBSA-N 0 0 304.354 0.980 50 0 DCAARN CS(=O)(=O)CCN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000069819992 396092292 /nfs/dbraw/zinc/09/22/92/396092292.db2.gz RHTKBAASSKNMIO-HNNXBMFYSA-N 0 0 312.435 0.382 50 0 DCAARN CCC(=O)N1CCC(N2C(=O)[C@H](OC)C23CCOCC3)CC1 ZINC000169788200 396092614 /nfs/dbraw/zinc/09/26/14/396092614.db2.gz TUJAXGYKNFYSES-AWEZNQCLSA-N 0 0 310.394 0.794 50 0 DCAARN CCOCC(=O)N1CCC(N2C(=O)[C@H](O)C23CCCCC3)CC1 ZINC000169788609 396092640 /nfs/dbraw/zinc/09/26/40/396092640.db2.gz RACAWYZGCUVUNZ-HNNXBMFYSA-N 0 0 324.421 0.920 50 0 DCAARN CC(C)(C)NC(=O)N1CC(n2cc(C(=O)NCC3CC3)nn2)C1 ZINC000169787537 396092686 /nfs/dbraw/zinc/09/26/86/396092686.db2.gz SYFKGOMEUXDNLR-UHFFFAOYSA-N 0 0 320.397 0.783 50 0 DCAARN O=C(NCc1ccc(F)cc1)N[C@@H]1CCc2n[nH]c(=O)n2CC1 ZINC000169790492 396093271 /nfs/dbraw/zinc/09/32/71/396093271.db2.gz HTUKJWMSRYMDKS-GFCCVEGCSA-N 0 0 319.340 0.915 50 0 DCAARN COCc1noc([C@@H]2CN(C(=O)C3CC=CC3)C[C@H]2C(N)=O)n1 ZINC000169791160 396093640 /nfs/dbraw/zinc/09/36/40/396093640.db2.gz NKJKOPODHUILDN-GHMZBOCLSA-N 0 0 320.349 0.210 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCO[C@H](Cn3cncn3)C2)no1 ZINC000069901835 396094793 /nfs/dbraw/zinc/09/47/93/396094793.db2.gz TXOIFWFVIJVBIU-NEPJUHHUSA-N 0 0 320.353 0.303 50 0 DCAARN COC(=O)CCc1cncc(NC(=O)C2=NN(C)C(=O)CC2)c1 ZINC000170600365 396094913 /nfs/dbraw/zinc/09/49/13/396094913.db2.gz LDCPYMJJEPLGIN-UHFFFAOYSA-N 0 0 318.333 0.734 50 0 DCAARN COc1nc(C)nc(N2CCc3nn(C)c(=O)cc3C2)c1C ZINC000170598891 396094938 /nfs/dbraw/zinc/09/49/38/396094938.db2.gz MNOKPQUEJGXCGV-UHFFFAOYSA-N 0 0 301.350 0.758 50 0 DCAARN C[C@@H](OC(=O)c1cccc2n[nH]nc21)C(=O)Nc1ncccn1 ZINC000170610703 396095123 /nfs/dbraw/zinc/09/51/23/396095123.db2.gz XDUHTUUETFDVIY-MRVPVSSYSA-N 0 0 312.289 0.932 50 0 DCAARN C[C@H](O)CN1CCN(CC(=O)N(C)Cc2ccsc2)CC1 ZINC000069949751 396095985 /nfs/dbraw/zinc/09/59/85/396095985.db2.gz YLDLTLFICNQRSB-ZDUSSCGKSA-N 0 0 311.451 0.705 50 0 DCAARN CN(C)c1cccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000170638387 396096311 /nfs/dbraw/zinc/09/63/11/396096311.db2.gz UWPICTRTEIWAFH-UHFFFAOYSA-N 0 0 313.361 0.548 50 0 DCAARN COc1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)c(OC)c1 ZINC000069980960 396097046 /nfs/dbraw/zinc/09/70/46/396097046.db2.gz JMTOZNRYMNIPHJ-GFCCVEGCSA-N 0 0 308.378 0.842 50 0 DCAARN Cc1ccc(N2CCC[C@@H](NCc3nnnn3C3CC3)C2)nn1 ZINC000070021857 396098158 /nfs/dbraw/zinc/09/81/58/396098158.db2.gz FQRGHMDTLCWAKI-GFCCVEGCSA-N 0 0 314.397 0.865 50 0 DCAARN C[C@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)N1CCCC[C@@H]1C ZINC000070036582 396099197 /nfs/dbraw/zinc/09/91/97/396099197.db2.gz CGCPPHUVTWRSNV-RYUDHWBXSA-N 0 0 323.393 0.431 50 0 DCAARN CCC(=O)Nc1ccc(-n2nnc(C(=O)NCCOC)n2)cc1 ZINC000071002179 396107786 /nfs/dbraw/zinc/10/77/86/396107786.db2.gz UYLYKAYDRXJLRN-UHFFFAOYSA-N 0 0 318.337 0.387 50 0 DCAARN Cn1nc(C(=O)N[C@]2(CCO)CCOC2)cc1OC(F)F ZINC000278185042 396110893 /nfs/dbraw/zinc/11/08/93/396110893.db2.gz TWBDQODCNGXPMV-GFCCVEGCSA-N 0 0 305.281 0.293 50 0 DCAARN Cc1nn(C)c(C)c1NC(=O)CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000071799523 396115066 /nfs/dbraw/zinc/11/50/66/396115066.db2.gz YCPSZTPTZZTJAU-JOYOIKCWSA-N 0 0 307.398 0.561 50 0 DCAARN CC[C@H]1CN(CN2C(=O)NC3(CCSCC3)C2=O)CCO1 ZINC000071795901 396115112 /nfs/dbraw/zinc/11/51/12/396115112.db2.gz CJQQWNDCEOLNRC-NSHDSACASA-N 0 0 313.423 0.872 50 0 DCAARN C[C@H]1COCCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000071804270 396115551 /nfs/dbraw/zinc/11/55/51/396115551.db2.gz OEVKHNMNBLLNBP-NSHDSACASA-N 0 0 309.366 0.488 50 0 DCAARN Cc1cc(N2CCN(C(=O)c3cn[nH]n3)CC2)nc(C(C)C)n1 ZINC000071819791 396116222 /nfs/dbraw/zinc/11/62/22/396116222.db2.gz AHDXXHWDXSWZPM-UHFFFAOYSA-N 0 0 315.381 0.989 50 0 DCAARN COc1ccnc(N2CCN(Cc3ccn(C)c(=O)c3)CC2)n1 ZINC000071824801 396117158 /nfs/dbraw/zinc/11/71/58/396117158.db2.gz LHUDUPMJHWWNEL-UHFFFAOYSA-N 0 0 315.377 0.506 50 0 DCAARN C[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H](c2ccccc2)O1 ZINC000071828235 396117189 /nfs/dbraw/zinc/11/71/89/396117189.db2.gz FXBVAKBWISAFTR-UKRRQHHQSA-N 0 0 317.389 0.407 50 0 DCAARN C[C@@H]1CN(C(=O)C[C@H]2NC(=O)NC2=O)C[C@H](c2ccccc2)O1 ZINC000071827200 396117193 /nfs/dbraw/zinc/11/71/93/396117193.db2.gz LSMAAKRNNQUPOS-RAIGVLPGSA-N 0 0 317.345 0.573 50 0 DCAARN CCO[C@H](C(=O)NC1CCN(CC(N)=O)CC1)c1ccccc1 ZINC000071827301 396117220 /nfs/dbraw/zinc/11/72/20/396117220.db2.gz GRQJDTHCRPSCQX-INIZCTEOSA-N 0 0 319.405 0.830 50 0 DCAARN CN(C)c1cc(CNC(=O)NCC2(O)CCOCC2)ccn1 ZINC000171421929 396117252 /nfs/dbraw/zinc/11/72/52/396117252.db2.gz BLXRBMQAWZXJGH-UHFFFAOYSA-N 0 0 308.382 0.488 50 0 DCAARN O=C(Cc1ccc(-n2cnnn2)cc1)N1CCN(C2CC2)CC1 ZINC000071836681 396117685 /nfs/dbraw/zinc/11/76/85/396117685.db2.gz GBXNWIMTULEGBE-UHFFFAOYSA-N 0 0 312.377 0.511 50 0 DCAARN C[C@@]1(c2ccccc2F)NC(=O)N(CCS(C)(=O)=O)C1=O ZINC000071839111 396117940 /nfs/dbraw/zinc/11/79/40/396117940.db2.gz YHKPICLIGRGYFI-ZDUSSCGKSA-N 0 0 314.338 0.637 50 0 DCAARN O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H]1Cn1cccn1 ZINC000071866402 396119371 /nfs/dbraw/zinc/11/93/71/396119371.db2.gz AXDQMFKRZSNTHC-TZMCWYRMSA-N 0 0 302.378 0.885 50 0 DCAARN CC(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2nccs2)C1 ZINC000071892348 396123667 /nfs/dbraw/zinc/12/36/67/396123667.db2.gz JUCLZAIFXGMWBI-SNVBAGLBSA-N 0 0 324.406 0.845 50 0 DCAARN CNS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000071897465 396124336 /nfs/dbraw/zinc/12/43/36/396124336.db2.gz QSAWAFSMFJHYOZ-UHFFFAOYSA-N 0 0 318.420 0.389 50 0 DCAARN Cc1cccc(C2(C(=O)N3CC[C@@]4(C3)NC(=O)NC4=O)CC2)c1 ZINC000072290718 396129757 /nfs/dbraw/zinc/12/97/57/396129757.db2.gz QRBRGKCABPBSHI-KRWDZBQOSA-N 0 0 313.357 0.837 50 0 DCAARN CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@H]1CCC(=O)N1 ZINC000072283683 396129774 /nfs/dbraw/zinc/12/97/74/396129774.db2.gz YHPAXXMRLPZUTQ-MFKMUULPSA-N 0 0 323.418 0.897 50 0 DCAARN O=C([C@H]1C[C@H]1c1cccc(F)c1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000072290679 396129848 /nfs/dbraw/zinc/12/98/48/396129848.db2.gz UVEFQZMCBGUGAU-MQIPJXDCSA-N 0 0 317.320 0.740 50 0 DCAARN COc1ccc(Br)cc1CCC(=O)NCC(N)=O ZINC000072292306 396129863 /nfs/dbraw/zinc/12/98/63/396129863.db2.gz BIRGDDDYYGNEDK-UHFFFAOYSA-N 0 0 315.167 0.992 50 0 DCAARN O=C(N1CC[C@]2(C1)NC(=O)NC2=O)C1(c2cccc(F)c2)CC1 ZINC000072290637 396129891 /nfs/dbraw/zinc/12/98/91/396129891.db2.gz IZVDUWONKWYAHF-MRXNPFEDSA-N 0 0 317.320 0.668 50 0 DCAARN Cc1cc([C@@H](C)C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c(C)o1 ZINC000072290655 396130013 /nfs/dbraw/zinc/13/00/13/396130013.db2.gz XURNYGBPGDFNLU-RFAUZJTJSA-N 0 0 305.334 0.810 50 0 DCAARN C[C@@H](CO)NC(=O)C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000069383136 396076651 /nfs/dbraw/zinc/07/66/51/396076651.db2.gz HSYIRJLKAJQITA-ZETCQYMHSA-N 0 0 314.725 0.547 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)NCCCOCC2CC2)C[C@H](C)O1 ZINC000069415029 396077163 /nfs/dbraw/zinc/07/71/63/396077163.db2.gz MQSLICUULJYTFQ-TXEJJXNPSA-N 0 0 306.428 0.747 50 0 DCAARN O=C(CN1CCO[C@H](Cn2cccn2)C1)Nc1nccs1 ZINC000069417290 396077929 /nfs/dbraw/zinc/07/79/29/396077929.db2.gz RMZQZNLLNSJLDT-NSHDSACASA-N 0 0 307.379 0.679 50 0 DCAARN COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2F)CCO1 ZINC000069416690 396078200 /nfs/dbraw/zinc/07/82/00/396078200.db2.gz QVEGASYMOSIHIC-NSHDSACASA-N 0 0 317.338 0.697 50 0 DCAARN C[C@@H]1CN(Cc2nccn2C)CCN1c1ccc2nncn2n1 ZINC000069459217 396079644 /nfs/dbraw/zinc/07/96/44/396079644.db2.gz QKSMQGYRYIUDIZ-GFCCVEGCSA-N 0 0 312.381 0.569 50 0 DCAARN O=C(CN1CCCS1(=O)=O)N1CCC[C@@H](n2cccn2)C1 ZINC000069487820 396080529 /nfs/dbraw/zinc/08/05/29/396080529.db2.gz XUPUMZYVSSZBED-GFCCVEGCSA-N 0 0 312.395 0.082 50 0 DCAARN CCOc1ccnc(N2CCN(C(=O)Cn3cccn3)CC2)n1 ZINC000069518180 396081417 /nfs/dbraw/zinc/08/14/17/396081417.db2.gz PJDINMVQVQBUTK-UHFFFAOYSA-N 0 0 316.365 0.421 50 0 DCAARN COc1cccc(/C=C/C(=O)N2CCCN(CC(N)=O)CC2)c1 ZINC000069593577 396083487 /nfs/dbraw/zinc/08/34/87/396083487.db2.gz NTSLJYLPLQDUQM-VOTSOKGWSA-N 0 0 317.389 0.728 50 0 DCAARN CCN1C[C@H](C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1=O ZINC000069570447 396083502 /nfs/dbraw/zinc/08/35/02/396083502.db2.gz KCYNDOBDEXCWOS-SECBINFHSA-N 0 0 303.318 0.938 50 0 DCAARN Cc1cnn(C[C@H]2CN(CCCS(C)(=O)=O)CCO2)c1 ZINC000069569708 396083917 /nfs/dbraw/zinc/08/39/17/396083917.db2.gz YMACJNYCEGBJSN-CYBMUJFWSA-N 0 0 301.412 0.327 50 0 DCAARN c1ncn(C[C@@H]2CCCN2Cc2nnnn2-c2ccccc2)n1 ZINC000069601094 396084819 /nfs/dbraw/zinc/08/48/19/396084819.db2.gz CSKAEMBBMGXSIF-AWEZNQCLSA-N 0 0 310.365 0.918 50 0 DCAARN Cn1cc(S(=O)(=O)N2CCc3cnccc32)cc1C(N)=O ZINC000176737091 396159907 /nfs/dbraw/zinc/15/99/07/396159907.db2.gz GQGNEUKESOSQOU-UHFFFAOYSA-N 0 0 306.347 0.270 50 0 DCAARN C[C@@H]1CN(C(=O)CN(C)Cc2nnc(C3CC3)n2C)C[C@@H](C)O1 ZINC000075008813 396174526 /nfs/dbraw/zinc/17/45/26/396174526.db2.gz CBEHLTPSXZWENY-VXGBXAGGSA-N 0 0 321.425 0.760 50 0 DCAARN CS(=O)(=O)NCCC(=O)N1CCCC[C@@H]1Cn1cccn1 ZINC000075602030 396181716 /nfs/dbraw/zinc/18/17/16/396181716.db2.gz HUCKKMMSTABKBM-GFCCVEGCSA-N 0 0 314.411 0.204 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)CCOCC(F)(F)F)CCO2)[nH]1 ZINC000076045109 396192584 /nfs/dbraw/zinc/19/25/84/396192584.db2.gz DDEVBMZNVNUALX-VIFPVBQESA-N 0 0 322.287 0.982 50 0 DCAARN Cc1nnc([C@H]2CN(C(=O)c3ccc(N(C)C)nn3)CCO2)[nH]1 ZINC000076045020 396192913 /nfs/dbraw/zinc/19/29/13/396192913.db2.gz ACUJINHPQYQEIK-LLVKDONJSA-N 0 0 317.353 0.183 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)[nH]1 ZINC000076045662 396193019 /nfs/dbraw/zinc/19/30/19/396193019.db2.gz SORGCCZIRXDEAQ-GWCFXTLKSA-N 0 0 317.349 0.876 50 0 DCAARN CC(=O)N1CCN([C@@H]2CN(Cc3nnc(C)o3)C[C@H]2C)CC1 ZINC000076055567 396194805 /nfs/dbraw/zinc/19/48/05/396194805.db2.gz DOSFRJLIXYJCDD-BXUZGUMPSA-N 0 0 307.398 0.362 50 0 DCAARN Cc1cc(OCC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)no1 ZINC000076053945 396194925 /nfs/dbraw/zinc/19/49/25/396194925.db2.gz QBFQAGYRNUJDKE-DGCLKSJQSA-N 0 0 309.366 0.541 50 0 DCAARN C[C@H](C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)N1CCCCC1=O ZINC000076055048 396195033 /nfs/dbraw/zinc/19/50/33/396195033.db2.gz BALFSZAZMDGRQM-KFWWJZLASA-N 0 0 323.437 0.567 50 0 DCAARN COCCOc1ccc(NC(=O)N[C@H]2CCC[C@@H]2C(N)=O)cn1 ZINC000076069207 396195695 /nfs/dbraw/zinc/19/56/95/396195695.db2.gz KWQYFMMJLSGDNE-RYUDHWBXSA-N 0 0 322.365 0.882 50 0 DCAARN CN(CCc1ccccn1)C(=O)CNC(=O)N(C)CC(F)F ZINC000078441169 396245056 /nfs/dbraw/zinc/24/50/56/396245056.db2.gz CSUIIUPJBFYHQV-UHFFFAOYSA-N 0 0 314.336 0.989 50 0 DCAARN CCS(=O)(=O)CCN1CCO[C@H](CNc2cccnn2)C1 ZINC000078893422 396256904 /nfs/dbraw/zinc/25/69/04/396256904.db2.gz SZHQHWOPWZIUKF-GFCCVEGCSA-N 0 0 314.411 0.024 50 0 DCAARN CS(=O)(=O)N1CCO[C@@H](Cn2ccnc2-c2ccncc2)C1 ZINC000077298194 396216975 /nfs/dbraw/zinc/21/69/75/396216975.db2.gz VZDHYXIFZTUFOY-ZDUSSCGKSA-N 0 0 322.390 0.606 50 0 DCAARN CC(=O)N[C@@H]1CN(C(=O)CCCn2cnnn2)C[C@H]1C(C)C ZINC000077299483 396218453 /nfs/dbraw/zinc/21/84/53/396218453.db2.gz MSWXWFZUNCCPDH-QWHCGFSZSA-N 0 0 308.386 0.072 50 0 DCAARN CCn1c(CN(C)C)nnc1C1CCN(C(=O)COC)CC1 ZINC000077428582 396222118 /nfs/dbraw/zinc/22/21/18/396222118.db2.gz YSSZSTMJZRJCRI-UHFFFAOYSA-N 0 0 309.414 0.712 50 0 DCAARN CN1CC2(CC1=O)CCN(C(=O)c1cccn(C)c1=O)CC2 ZINC000077439358 396222536 /nfs/dbraw/zinc/22/25/36/396222536.db2.gz IIYJJKGMQJIDIU-UHFFFAOYSA-N 0 0 303.362 0.470 50 0 DCAARN COC(=O)N1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000077471060 396223422 /nfs/dbraw/zinc/22/34/22/396223422.db2.gz MENZFDUWDOCBTO-LBPRGKRZSA-N 0 0 323.397 0.593 50 0 DCAARN O=C(c1cc(C2CC2)on1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000186648327 396354958 /nfs/dbraw/zinc/35/49/58/396354958.db2.gz ZPEHQXRIZNNVIU-GFCCVEGCSA-N 0 0 318.377 0.588 50 0 DCAARN Cn1cc(C(=O)NCC2CCN(c3ncc(F)cn3)CC2)cn1 ZINC000269437358 396414325 /nfs/dbraw/zinc/41/43/25/396414325.db2.gz AGXZNQORQPZNMC-UHFFFAOYSA-N 0 0 318.356 0.996 50 0 DCAARN COCC[C@@H]1COCCN1C(=O)CN1Cc2ccccc2C1=O ZINC000291135217 396479690 /nfs/dbraw/zinc/47/96/90/396479690.db2.gz FICWVLVWAYODMF-CQSZACIVSA-N 0 0 318.373 0.906 50 0 DCAARN Cc1cc(C)n2c(nnc2C(=O)N2CCN3C(=O)OC[C@@H]3C2)n1 ZINC000584885288 396632068 /nfs/dbraw/zinc/63/20/68/396632068.db2.gz JWIFKZLODZSOPD-JTQLQIEISA-N 0 0 316.321 0.018 50 0 DCAARN Cc1c[nH]c([C@H](C)NS(=O)(=O)c2cc(C(N)=O)cs2)n1 ZINC000584890304 396632893 /nfs/dbraw/zinc/63/28/93/396632893.db2.gz ZDIHWFNPMFEZIN-ZETCQYMHSA-N 0 0 314.392 0.918 50 0 DCAARN CN(C)C(=O)NCC(=O)N(C)Cc1cnc2ccccc2n1 ZINC000584889230 396633060 /nfs/dbraw/zinc/63/30/60/396633060.db2.gz KBLBIWYLYOUFDO-UHFFFAOYSA-N 0 0 301.350 0.859 50 0 DCAARN COCCN1C[C@H](CNC(=O)c2ccnn2C(C)C)CC1=O ZINC000584890194 396633413 /nfs/dbraw/zinc/63/34/13/396633413.db2.gz OOAQKBVSZWVLDJ-LBPRGKRZSA-N 0 0 308.382 0.689 50 0 DCAARN CN1C[C@@]2(CCN(C(=O)COCc3ccccc3)C2)OCC1=O ZINC000584893471 396635068 /nfs/dbraw/zinc/63/50/68/396635068.db2.gz ZZLRIKFIBKQGDO-QGZVFWFLSA-N 0 0 318.373 0.663 50 0 DCAARN C[C@@H](C(=O)N1CCN(C(=O)C2CCC2)CC1)N1CCCC1=O ZINC000584897412 396635451 /nfs/dbraw/zinc/63/54/51/396635451.db2.gz ZEWXNODVOMMNKZ-LBPRGKRZSA-N 0 0 307.394 0.468 50 0 DCAARN COc1c[nH]c(C(=O)NCc2noc(CC(C)C)n2)cc1=O ZINC000584897101 396635829 /nfs/dbraw/zinc/63/58/29/396635829.db2.gz DHLLWSJFYQRFKS-UHFFFAOYSA-N 0 0 306.322 0.895 50 0 DCAARN Cc1n[nH]c(C)c1CC(=O)NCc1cccnc1-n1cncn1 ZINC000584899443 396636288 /nfs/dbraw/zinc/63/62/88/396636288.db2.gz CFGVDCHLSLRWEU-UHFFFAOYSA-N 0 0 311.349 0.861 50 0 DCAARN O=C(CN1CCC[C@@H](O)C1)NCCc1nc2ccccc2o1 ZINC000584900890 396636569 /nfs/dbraw/zinc/63/65/69/396636569.db2.gz XOUFRLVDILEFIV-GFCCVEGCSA-N 0 0 303.362 0.943 50 0 DCAARN CCNS(=O)(=O)[C@@H]1CCN(C[C@@](C)(O)C(F)(F)F)C1 ZINC000375622954 396782866 /nfs/dbraw/zinc/78/28/66/396782866.db2.gz DGCXYBYQLXWQGX-RKDXNWHRSA-N 0 0 304.334 0.313 50 0 DCAARN Cc1cc(OC2CCN(C(=O)c3cn(C)nn3)CC2)nc(C)n1 ZINC000390826861 397301035 /nfs/dbraw/zinc/30/10/35/397301035.db2.gz QIZSPLRXIYNUTP-UHFFFAOYSA-N 0 0 316.365 0.906 50 0 DCAARN Cn1cc(C(=O)NC[C@](O)(c2ccoc2)c2ccco2)nn1 ZINC000390826518 397302002 /nfs/dbraw/zinc/30/20/02/397302002.db2.gz NGFBPZDJKWCHED-AWEZNQCLSA-N 0 0 302.290 0.667 50 0 DCAARN O=C(NCc1cn(-c2ccncc2)nn1)NC1CCOCC1 ZINC000390831921 397303648 /nfs/dbraw/zinc/30/36/48/397303648.db2.gz VZMARHMACJNSHC-UHFFFAOYSA-N 0 0 302.338 0.641 50 0 DCAARN CC(=O)N1CC[C@]2(CO)CN(C(=O)c3ccoc3C)C[C@@H]2C1 ZINC000409420635 397359634 /nfs/dbraw/zinc/35/96/34/397359634.db2.gz IMNBSKDRFCKFPE-XJKSGUPXSA-N 0 0 306.362 0.891 50 0 DCAARN CSC[C@@H](C)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000066824252 158037172 /nfs/dbraw/zinc/03/71/72/158037172.db2.gz BZQQBLMUIZRVRE-CYBMUJFWSA-N 0 0 323.466 0.714 50 0 DCAARN CSC[C@H](C)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000066824251 158038092 /nfs/dbraw/zinc/03/80/92/158038092.db2.gz BZQQBLMUIZRVRE-ZDUSSCGKSA-N 0 0 323.466 0.714 50 0 DCAARN CC1(C)CN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1C1CC1 ZINC000329539648 159101325 /nfs/dbraw/zinc/10/13/25/159101325.db2.gz CNCIFUOYTGKFOR-CYBMUJFWSA-N 0 0 300.424 0.364 50 0 DCAARN CC[C@@H](CCNC(=O)[C@@]1(O)CCSC1)N1CCCC1=O ZINC000095451723 286830670 /nfs/dbraw/zinc/83/06/70/286830670.db2.gz VLRJDPYFYABDJO-SMDDNHRTSA-N 0 0 300.424 0.762 50 0 DCAARN Cc1nc(-c2ccc(NC(=O)CCNS(C)(=O)=O)cc2)n[nH]1 ZINC000050897899 286893325 /nfs/dbraw/zinc/89/33/25/286893325.db2.gz XNZRHFHTDJJIPC-UHFFFAOYSA-N 0 0 323.378 0.658 50 0 DCAARN O=C(CN1CCC[C@@H]1C(=O)Nc1nccs1)N1CCOCC1 ZINC000114471082 286944527 /nfs/dbraw/zinc/94/45/27/286944527.db2.gz LLCVSVOWIPKLSS-LLVKDONJSA-N 0 0 324.406 0.405 50 0 DCAARN Cc1cc(CC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)[nH]n1 ZINC000151159609 287032101 /nfs/dbraw/zinc/03/21/01/287032101.db2.gz OQOUTUDFKBUPMX-CQSZACIVSA-N 0 0 320.393 0.501 50 0 DCAARN C[C@@H]1C(=O)NCCN1C(=O)CN1C(=O)CSc2ccccc21 ZINC000065587031 287181105 /nfs/dbraw/zinc/18/11/05/287181105.db2.gz HZJWUCIWOYXFFT-SNVBAGLBSA-N 0 0 319.386 0.472 50 0 DCAARN Cc1csc(=O)n1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000011544819 415151064 /nfs/dbraw/zinc/15/10/64/415151064.db2.gz XLSVODSQZMSIFT-UHFFFAOYSA-N 0 0 319.390 0.357 50 0 DCAARN COc1coc(C(=O)NCc2nnc3ccccn32)cc1=O ZINC000342359337 415151973 /nfs/dbraw/zinc/15/19/73/415151973.db2.gz IIZVXCDNGFDBIK-UHFFFAOYSA-N 0 0 300.274 0.621 50 0 DCAARN CNC(=O)c1nnn2c1[nH]c(=O)c1c3c(sc12)CCCC3 ZINC000019810760 415152669 /nfs/dbraw/zinc/15/26/69/415152669.db2.gz JATOSZACPUWJPA-UHFFFAOYSA-N 0 0 303.347 0.871 50 0 DCAARN COc1ccc2c(COC(=O)CCNC(N)=O)cc(=O)oc2c1 ZINC000017746228 415153158 /nfs/dbraw/zinc/15/31/58/415153158.db2.gz RFJQKYQPHKXTKJ-UHFFFAOYSA-N 0 0 320.301 0.903 50 0 DCAARN C[C@H]1CN(C(C)(C)CNC(=O)c2ccc[nH]c2=O)C[C@H](C)O1 ZINC000021063430 415155755 /nfs/dbraw/zinc/15/57/55/415155755.db2.gz PMAMMHFUOMBRGR-RYUDHWBXSA-N 0 0 307.394 0.993 50 0 DCAARN Cc1cc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)no1 ZINC000024656130 415157285 /nfs/dbraw/zinc/15/72/85/415157285.db2.gz QVJRRURPUOADRK-UHFFFAOYSA-N 0 0 315.289 0.181 50 0 DCAARN COC(=O)c1ccc(CCNC(=O)c2nccnc2N)cc1 ZINC000025078951 415158345 /nfs/dbraw/zinc/15/83/45/415158345.db2.gz WTONSIFUSBIABA-UHFFFAOYSA-N 0 0 300.318 0.818 50 0 DCAARN COC(=O)c1ccc2c(c1)C[C@@H](CNC(=O)COC(C)=O)O2 ZINC000022314667 415159708 /nfs/dbraw/zinc/15/97/08/415159708.db2.gz WFWRTMMRZLPUPD-LBPRGKRZSA-N 0 0 307.302 0.456 50 0 DCAARN Cc1cc(CN(C)C(=O)Cn2nc3ccccn3c2=O)no1 ZINC000025138530 415159787 /nfs/dbraw/zinc/15/97/87/415159787.db2.gz KEBLKJXOUZUQHX-UHFFFAOYSA-N 0 0 301.306 0.451 50 0 DCAARN O=C(NCCN1CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000025707393 415164625 /nfs/dbraw/zinc/16/46/25/415164625.db2.gz HQCUSBGIVSCFGK-UHFFFAOYSA-N 0 0 301.350 0.329 50 0 DCAARN O=C(CN1CCN(C[C@H](O)c2ccc(F)cc2)CC1)NC1CC1 ZINC000025300966 415163230 /nfs/dbraw/zinc/16/32/30/415163230.db2.gz HJKNGAWOGKZWLS-INIZCTEOSA-N 0 0 321.396 0.755 50 0 DCAARN COc1ccc(C(=O)N2CC[NH+]([C@@H](C)C(=O)[O-])CC2)cc1OC ZINC000265267577 415126481 /nfs/dbraw/zinc/12/64/81/415126481.db2.gz SJEYVPTXOHQLSY-NSHDSACASA-N 0 0 322.361 0.935 50 0 DCAARN O=C1COc2ccc(S(=O)(=O)NCc3cccnc3)cc2N1 ZINC000006920187 415133398 /nfs/dbraw/zinc/13/33/98/415133398.db2.gz ZRSSKINPUOJNFM-UHFFFAOYSA-N 0 0 319.342 0.891 50 0 DCAARN C/C(Cl)=C\Cn1c(=S)[nH]c2c1c(=O)n(C)c(=O)n2C ZINC000005177281 415134883 /nfs/dbraw/zinc/13/48/83/415134883.db2.gz BAZDEQCAAQRNLM-GQCTYLIASA-N 0 0 300.771 0.865 50 0 DCAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(N)=O ZINC000007152617 415135865 /nfs/dbraw/zinc/13/58/65/415135865.db2.gz DGVSXEUQANFHEX-LBPRGKRZSA-N 0 0 314.288 0.748 50 0 DCAARN O=C([C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2)CC1 ZINC000007754759 415139172 /nfs/dbraw/zinc/13/91/72/415139172.db2.gz QOOGMRFGAJZWPL-ZDUSSCGKSA-N 0 0 308.403 0.770 50 0 DCAARN C[C@@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000007735598 415139841 /nfs/dbraw/zinc/13/98/41/415139841.db2.gz XIEASSRDCIKGFP-TZMCWYRMSA-N 0 0 310.419 0.983 50 0 DCAARN CCOC(=O)C(=O)Nc1cc(C)nn1-c1nc(CC)cc(=O)[nH]1 ZINC000007419419 415140214 /nfs/dbraw/zinc/14/02/14/415140214.db2.gz IOSIIXKIUUHQFR-UHFFFAOYSA-N 0 0 319.321 0.328 50 0 DCAARN C[C@H](NC(=O)c1cccnc1N1CCOCC1)c1nc[nH]n1 ZINC000267057922 415141159 /nfs/dbraw/zinc/14/11/59/415141159.db2.gz GGMLTZCEANGKME-JTQLQIEISA-N 0 0 302.338 0.527 50 0 DCAARN CCN(CC)C(=O)CN(C)CC(=O)Nc1c(C)nn(C)c1C ZINC000007591505 415141253 /nfs/dbraw/zinc/14/12/53/415141253.db2.gz OLIVMJCQLANDFU-UHFFFAOYSA-N 0 0 309.414 0.776 50 0 DCAARN CC1(C)Cc2c(sc3[nH]c(=O)n(CCCO)c(=O)c32)CO1 ZINC000008768974 415143685 /nfs/dbraw/zinc/14/36/85/415143685.db2.gz QQSGPBATNWBOOD-UHFFFAOYSA-N 0 0 310.375 0.985 50 0 DCAARN Cc1nnc(NC(=O)CCn2cnc3c(cnn3C)c2=O)s1 ZINC000014051334 415148805 /nfs/dbraw/zinc/14/88/05/415148805.db2.gz YAHGNSRUQLHSHL-UHFFFAOYSA-N 0 0 319.350 0.319 50 0 DCAARN Cc1cc(NC(=O)CN2CCN(Cc3nc(C)no3)CC2)no1 ZINC000027968163 415177075 /nfs/dbraw/zinc/17/70/75/415177075.db2.gz AJWKSYLDEIWCSE-UHFFFAOYSA-N 0 0 320.353 0.431 50 0 DCAARN O=C1CCc2cc(S(=O)(=O)NCCn3ccnc3)ccc2N1 ZINC000025872900 415166356 /nfs/dbraw/zinc/16/63/56/415166356.db2.gz YALLRSWCTGRUFE-UHFFFAOYSA-N 0 0 320.374 0.746 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)o1 ZINC000027907444 415173786 /nfs/dbraw/zinc/17/37/86/415173786.db2.gz IPUYFUNCGLMOER-RKDXNWHRSA-N 0 0 302.352 0.485 50 0 DCAARN COCCOCC(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000044916403 415232944 /nfs/dbraw/zinc/23/29/44/415232944.db2.gz MLOQPYYDHIWSOO-JTQLQIEISA-N 0 0 308.334 0.858 50 0 DCAARN C[C@H](C(=O)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1F ZINC000044948309 415234012 /nfs/dbraw/zinc/23/40/12/415234012.db2.gz YRCWIIFOFVJZGZ-SECBINFHSA-N 0 0 319.329 0.986 50 0 DCAARN Cc1noc(CS(=O)(=O)CC(=O)N2CCc3ccccc32)n1 ZINC000044938330 415234128 /nfs/dbraw/zinc/23/41/28/415234128.db2.gz PXGBQPLXZHYJIN-UHFFFAOYSA-N 0 0 321.358 0.882 50 0 DCAARN COc1ccc(S(=O)(=O)Cc2nc(N)nc(N(C)C)n2)cc1 ZINC000044947775 415234652 /nfs/dbraw/zinc/23/46/52/415234652.db2.gz XKKWAOXLUAMYSG-UHFFFAOYSA-N 0 0 323.378 0.502 50 0 DCAARN C[C@@H](CNS(=O)(=O)N1CCOCC1)N(C)c1ccccc1 ZINC000044936215 415235124 /nfs/dbraw/zinc/23/51/24/415235124.db2.gz GBBZYTQHZPZJSX-ZDUSSCGKSA-N 0 0 313.423 0.678 50 0 DCAARN COc1ccc(CNC(=O)[C@@H](C)S(C)(=O)=O)cc1OC ZINC000044938428 415235275 /nfs/dbraw/zinc/23/52/75/415235275.db2.gz HKMCBVRCAZQDPN-SECBINFHSA-N 0 0 301.364 0.753 50 0 DCAARN CC(C)N(CCCNC(=O)N1CCO[C@@H](C)C1)S(C)(=O)=O ZINC000044971453 415238723 /nfs/dbraw/zinc/23/87/23/415238723.db2.gz QCBQKZNAVUNDCN-LBPRGKRZSA-N 0 0 321.443 0.477 50 0 DCAARN C[C@H]1CN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CCO1 ZINC000044972159 415240143 /nfs/dbraw/zinc/24/01/43/415240143.db2.gz XYTXCYSDBUKAFC-LBPRGKRZSA-N 0 0 323.397 0.202 50 0 DCAARN CC1CCN(CCNC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000044969447 415240219 /nfs/dbraw/zinc/24/02/19/415240219.db2.gz DFDXPDBYGQTEAH-CYBMUJFWSA-N 0 0 317.455 0.547 50 0 DCAARN C[C@H](C(=O)N1CCN(Cc2ccncc2)CC1)n1cncn1 ZINC000045198512 415242851 /nfs/dbraw/zinc/24/28/51/415242851.db2.gz XMSNMCNAKDEXGL-CYBMUJFWSA-N 0 0 300.366 0.579 50 0 DCAARN O=C(CCNc1ncccn1)N1CCN(c2cnccn2)CC1 ZINC000045057632 415243005 /nfs/dbraw/zinc/24/30/05/415243005.db2.gz NJXMKNWBJQIFLN-UHFFFAOYSA-N 0 0 313.365 0.417 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)OC[C@@H]2C)n(C)c1 ZINC000045449076 415246766 /nfs/dbraw/zinc/24/67/66/415246766.db2.gz IFOVNAKLQOYTNM-UWVGGRQHSA-N 0 0 315.395 0.183 50 0 DCAARN C[C@H](NC(=O)NC(C(N)=O)C(N)=O)c1cc2ccccc2o1 ZINC000045615094 415250068 /nfs/dbraw/zinc/25/00/68/415250068.db2.gz SBHNELGIWRRBOL-ZETCQYMHSA-N 0 0 304.306 0.132 50 0 DCAARN NC(=O)CN1CCC(NC(=O)NCc2ccccc2F)CC1 ZINC000045608023 415251486 /nfs/dbraw/zinc/25/14/86/415251486.db2.gz HPTRMJIOIFWFBZ-UHFFFAOYSA-N 0 0 308.357 0.575 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000045897826 415254010 /nfs/dbraw/zinc/25/40/10/415254010.db2.gz JEMKBSIEHSPCHA-RYUDHWBXSA-N 0 0 316.423 0.042 50 0 DCAARN C[C@H](CNS(=O)(=O)c1cc(F)ccc1F)N1CCOCC1 ZINC000046303460 415259130 /nfs/dbraw/zinc/25/91/30/415259130.db2.gz NMGTXZMCDUNUKK-SNVBAGLBSA-N 0 0 320.361 0.964 50 0 DCAARN COCCn1cc(NC(=O)N2CCC(CC(N)=O)CC2)cn1 ZINC000046939077 415263510 /nfs/dbraw/zinc/26/35/10/415263510.db2.gz QHBWLNSZJYHXEY-UHFFFAOYSA-N 0 0 309.370 0.649 50 0 DCAARN CN(CC(N)=O)C(=O)CCCn1cnc2ccccc2c1=O ZINC000046979956 415264814 /nfs/dbraw/zinc/26/48/14/415264814.db2.gz INCZNSMCDXNOPI-UHFFFAOYSA-N 0 0 302.334 0.120 50 0 DCAARN CC(C)(C)C(=O)N1CCC(C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000047530765 415274392 /nfs/dbraw/zinc/27/43/92/415274392.db2.gz MKOJMYGOWCNVMK-ZDUSSCGKSA-N 0 0 323.437 0.995 50 0 DCAARN CN(Cc1ccncc1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000047632265 415274755 /nfs/dbraw/zinc/27/47/55/415274755.db2.gz AQHHNHACWSKYNL-ZDUSSCGKSA-N 0 0 311.407 0.854 50 0 DCAARN CCNC(=O)CN1CCN(CCOc2ccc(F)cc2)CC1 ZINC000044739411 415223998 /nfs/dbraw/zinc/22/39/98/415223998.db2.gz BUVQKTODEKHJCH-UHFFFAOYSA-N 0 0 309.385 0.958 50 0 DCAARN Cc1nn(C)c(C)c1C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000044778099 415226104 /nfs/dbraw/zinc/22/61/04/415226104.db2.gz FIGFCJCBSZXHKG-UHFFFAOYSA-N 0 0 314.411 0.191 50 0 DCAARN O=C(Cn1nnn(-c2cccs2)c1=O)NCCc1ccco1 ZINC000044892964 415229611 /nfs/dbraw/zinc/22/96/11/415229611.db2.gz NPPURONIDJNAMY-UHFFFAOYSA-N 0 0 319.346 0.442 50 0 DCAARN CC(=O)N1CCCN(C(=O)c2cnn(C)c2-n2cccc2)CC1 ZINC000044869677 415229820 /nfs/dbraw/zinc/22/98/20/415229820.db2.gz JDVWNWHOIIAWCD-UHFFFAOYSA-N 0 0 315.377 0.905 50 0 DCAARN CC(C)N1C[C@@H](C(=O)N2CCN(c3cnccn3)CC2)CC1=O ZINC000044913331 415230576 /nfs/dbraw/zinc/23/05/76/415230576.db2.gz BQTUBAGXMLCMRI-ZDUSSCGKSA-N 0 0 317.393 0.382 50 0 DCAARN Cn1cc(NC(=O)CNC2=NS(=O)(=O)c3ccccc32)cn1 ZINC000044915830 415231697 /nfs/dbraw/zinc/23/16/97/415231697.db2.gz NORDUTPBHRYHCX-UHFFFAOYSA-N 0 0 319.346 0.097 50 0 DCAARN CCN(C[C@@H]1CCOC1)C(=O)Cn1nc2ccccn2c1=O ZINC000048262895 415286730 /nfs/dbraw/zinc/28/67/30/415286730.db2.gz RNPRGOQRFXBJSV-LBPRGKRZSA-N 0 0 304.350 0.381 50 0 DCAARN CC(=O)Nc1nc(C(=O)N(C)Cc2nnc3n2CCC3)cs1 ZINC000048344772 415291582 /nfs/dbraw/zinc/29/15/82/415291582.db2.gz FDXSGORKDQFVTP-UHFFFAOYSA-N 0 0 320.378 0.911 50 0 DCAARN CN(C)C(=O)N1CCOC[C@@H]1CC(=O)NCCc1ccccn1 ZINC000072454820 415413722 /nfs/dbraw/zinc/41/37/22/415413722.db2.gz DEBMNPOWHSRYRZ-AWEZNQCLSA-N 0 0 320.393 0.513 50 0 DCAARN CCN(CC)C(=O)CN1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000066893449 415371385 /nfs/dbraw/zinc/37/13/85/415371385.db2.gz AMWRKJFEMHGUKR-AWEZNQCLSA-N 0 0 311.426 0.568 50 0 DCAARN CC(C)N1CCCn2nc(C(=O)N[C@H](C)C(=O)N(C)C)cc2C1 ZINC000067587027 415379887 /nfs/dbraw/zinc/37/98/87/415379887.db2.gz BULJESZLEYYGEX-GFCCVEGCSA-N 0 0 321.425 0.704 50 0 DCAARN CN(Cc1nccn1C)C(=O)c1cc(CN2CCOCC2)on1 ZINC000067688892 415384994 /nfs/dbraw/zinc/38/49/94/415384994.db2.gz DDHHNXMFANISNS-UHFFFAOYSA-N 0 0 319.365 0.513 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cnc2n1CCCC2 ZINC000067851102 415388976 /nfs/dbraw/zinc/38/89/76/415388976.db2.gz FZUHXFMRSZUOEB-SNVBAGLBSA-N 0 0 312.395 0.582 50 0 DCAARN NC(=O)[C@@H]1CCCN(C(=O)Cn2cc(Br)cn2)C1 ZINC000075572747 415445635 /nfs/dbraw/zinc/44/56/35/415445635.db2.gz LHPFFSKACRHCBD-MRVPVSSYSA-N 0 0 315.171 0.370 50 0 DCAARN COC(=O)NCC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000075582127 415446593 /nfs/dbraw/zinc/44/65/93/415446593.db2.gz ILCHHAPTPNHETK-UHFFFAOYSA-N 0 0 321.333 0.033 50 0 DCAARN CCN(C[C@@H]1CN(Cc2ncc[nH]2)CCO1)c1cccnn1 ZINC000084774637 415502699 /nfs/dbraw/zinc/50/26/99/415502699.db2.gz CAMYRQDIXGTUIX-ZDUSSCGKSA-N 0 0 302.382 0.927 50 0 DCAARN COC(=O)[C@H](C)NC(=O)[C@H](C)n1nnc2ccccc2c1=O ZINC000094993082 415547836 /nfs/dbraw/zinc/54/78/36/415547836.db2.gz POQWJCBBPCZJBR-IUCAKERBSA-N 0 0 304.306 0.030 50 0 DCAARN CN(C)[C@@H](C(=O)NCCc1n[nH]c(=O)n1C)c1ccc(F)cc1 ZINC000095354031 415554822 /nfs/dbraw/zinc/55/48/22/415554822.db2.gz NNBDOSGTMCUNGC-CYBMUJFWSA-N 0 0 321.356 0.209 50 0 DCAARN CN(C)[C@H](C(=O)NCCc1n[nH]c(=O)n1C)c1ccc(F)cc1 ZINC000095354032 415555283 /nfs/dbraw/zinc/55/52/83/415555283.db2.gz NNBDOSGTMCUNGC-ZDUSSCGKSA-N 0 0 321.356 0.209 50 0 DCAARN CN(C)C(=O)N1CCC[C@H](C(=O)N(C)Cc2cnc(N)nc2)C1 ZINC000095377310 415556136 /nfs/dbraw/zinc/55/61/36/415556136.db2.gz DBFNLXCWFGHECN-LBPRGKRZSA-N 0 0 320.397 0.411 50 0 DCAARN COC[C@H](NC(=O)c1cnc(N(C)C)nc1C)c1ccnn1C ZINC000095384258 415558080 /nfs/dbraw/zinc/55/80/80/415558080.db2.gz NDELAWRWMHBNJY-LBPRGKRZSA-N 0 0 318.381 0.702 50 0 DCAARN CCN1C[C@@H](NS(=O)(=O)C[C@@H]2CCCC2(F)F)CC1=O ZINC000333113253 415559109 /nfs/dbraw/zinc/55/91/09/415559109.db2.gz SOGQPMYULBXANI-UWVGGRQHSA-N 0 0 310.366 0.962 50 0 DCAARN COCc1nc(CNC(=O)[C@H]2Cc3ccccc3CN2C)no1 ZINC000095387125 415559399 /nfs/dbraw/zinc/55/93/99/415559399.db2.gz AUAYSRBZBGIPNT-CYBMUJFWSA-N 0 0 316.361 0.889 50 0 DCAARN CS(=O)(=O)N1CCO[C@H](CNc2nnc(C3CCC3)o2)C1 ZINC000095378647 415560070 /nfs/dbraw/zinc/56/00/70/415560070.db2.gz JPGNZGIILQRWDY-SNVBAGLBSA-N 0 0 316.383 0.409 50 0 DCAARN Cc1cc(CN2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)no1 ZINC000095951305 415563525 /nfs/dbraw/zinc/56/35/25/415563525.db2.gz NTUBETKYHFEHDL-UHFFFAOYSA-N 0 0 316.361 0.640 50 0 DCAARN CC(=O)N1CCC(C(=O)N[C@H](C)C(N)=O)(c2ccccc2)CC1 ZINC000095947469 415563976 /nfs/dbraw/zinc/56/39/76/415563976.db2.gz YSXNODHCWXDEIL-GFCCVEGCSA-N 0 0 317.389 0.557 50 0 DCAARN NS(=O)(=O)c1ccc(F)c(C(=O)OC[C@H]2CCCO2)c1 ZINC000095948034 415564989 /nfs/dbraw/zinc/56/49/89/415564989.db2.gz HYWCILSNPMCGTK-MRVPVSSYSA-N 0 0 303.311 0.809 50 0 DCAARN CCCN(CC(=O)OC)c1ncnc2c1cnn2CC(=O)OC ZINC000095997002 415569497 /nfs/dbraw/zinc/56/94/97/415569497.db2.gz XPXMCSGZARADSR-UHFFFAOYSA-N 0 0 321.337 0.389 50 0 DCAARN CS(=O)(=O)CCCN1CCN(CC2CCCC2)C(=O)C1 ZINC000095973839 415569909 /nfs/dbraw/zinc/56/99/09/415569909.db2.gz RIMHJEWRIWEPGK-UHFFFAOYSA-N 0 0 302.440 0.756 50 0 DCAARN CCOC(=O)C[C@](C)(O)CNC(=O)c1ccc(OC)cc1O ZINC000096013647 415573025 /nfs/dbraw/zinc/57/30/25/415573025.db2.gz IEOICYRSFJVGFC-HNNXBMFYSA-N 0 0 311.334 0.835 50 0 DCAARN O=S(=O)(Cc1cccc(Br)c1)C[C@@H](O)CO ZINC000097047656 415579878 /nfs/dbraw/zinc/57/98/78/415579878.db2.gz XFNONRNJLOBVAE-JTQLQIEISA-N 0 0 309.181 0.717 50 0 DCAARN CC(C)Cn1ncnc1CN1CCCN(CC(=O)N(C)C)CC1 ZINC000097048438 415582432 /nfs/dbraw/zinc/58/24/32/415582432.db2.gz BFTBXOWAIUJVKW-UHFFFAOYSA-N 0 0 322.457 0.530 50 0 DCAARN Cn1ncc2c1ncnc2N1CCC[C@@H](N2CCNC2=O)C1 ZINC000097160145 415587369 /nfs/dbraw/zinc/58/73/69/415587369.db2.gz PISARWURMXQONU-SNVBAGLBSA-N 0 0 301.354 0.357 50 0 DCAARN O=C([O-])CCn1cc(CN2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000097436782 415589845 /nfs/dbraw/zinc/58/98/45/415589845.db2.gz ONSZTYLJKUCAAZ-UHFFFAOYSA-N 0 0 322.409 0.654 50 0 DCAARN CN(CC(=O)N1C[C@@H](O)C[C@H]1C1CCCCC1)S(C)(=O)=O ZINC000107365529 415667156 /nfs/dbraw/zinc/66/71/56/415667156.db2.gz LOCCZFJAGBPYDV-STQMWFEESA-N 0 0 318.439 0.420 50 0 DCAARN O=CN1CCCN(CC(=O)N2CCc3sccc3C2)CC1 ZINC000294132268 415871211 /nfs/dbraw/zinc/87/12/11/415871211.db2.gz FQACVYCQALCLOV-UHFFFAOYSA-N 0 0 307.419 0.797 50 0 DCAARN CCOC(=O)c1cn(CCNC(=O)N2CCSCC2)cn1 ZINC000296279306 415918700 /nfs/dbraw/zinc/91/87/00/415918700.db2.gz YZAMPRFMZOAWAS-UHFFFAOYSA-N 0 0 312.395 0.818 50 0 DCAARN C[C@H](Cn1cncn1)NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000299138550 416055006 /nfs/dbraw/zinc/05/50/06/416055006.db2.gz XRNQKSNVQDAWQN-VGMNWLOBSA-N 0 0 319.287 0.240 50 0 DCAARN O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1cn[nH]c1 ZINC000299208118 416059383 /nfs/dbraw/zinc/05/93/83/416059383.db2.gz LFZCAAXFADNNLX-SNVBAGLBSA-N 0 0 305.290 0.308 50 0 DCAARN Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC(=O)N(C(C)C)C2)n1 ZINC000299755227 416064648 /nfs/dbraw/zinc/06/46/48/416064648.db2.gz BRLGMDWABUZYPH-LLVKDONJSA-N 0 0 306.366 0.754 50 0 DCAARN O=C(CN1CC[C@H]2[C@H](C1)OCc1cnnn12)N1CCCCCC1 ZINC000299768667 416065541 /nfs/dbraw/zinc/06/55/41/416065541.db2.gz ORCDXHYTKOTJMC-GJZGRUSLSA-N 0 0 319.409 0.826 50 0 DCAARN CO[C@]12CCN(C(=O)c3cn(C)c(C)cc3=O)[C@H]1C[C@H](O)CC2 ZINC000299763808 416066080 /nfs/dbraw/zinc/06/60/80/416066080.db2.gz DJEPOTHBBWBREN-ISTRZQFTSA-N 0 0 320.389 0.838 50 0 DCAARN CNc1ncccc1C(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299769329 416066095 /nfs/dbraw/zinc/06/60/95/416066095.db2.gz WQXUCPSKDQMDFC-STQMWFEESA-N 0 0 314.349 0.701 50 0 DCAARN CCCn1cc(NC(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)nn1 ZINC000299771430 416066308 /nfs/dbraw/zinc/06/63/08/416066308.db2.gz WVSDIGHLZUXUDQ-CYBMUJFWSA-N 0 0 308.342 0.747 50 0 DCAARN COCC(=O)N1CC[C@@H](NC(=O)c2cccc(O)c2C)[C@H](O)C1 ZINC000299775367 416066928 /nfs/dbraw/zinc/06/69/28/416066928.db2.gz DUMMCJHJYMMBSG-TZMCWYRMSA-N 0 0 322.361 0.039 50 0 DCAARN O=C(c1ccc2c(c1)OCCO2)N1CCN(c2nc[nH]n2)CC1 ZINC000299780852 416067799 /nfs/dbraw/zinc/06/77/99/416067799.db2.gz DNYHSHSQXJJQIY-UHFFFAOYSA-N 0 0 315.333 0.538 50 0 DCAARN CC[C@H](C(=O)N(C)Cc1cnc(N(C)C)nc1)N1CCCC1=O ZINC000330771901 416237132 /nfs/dbraw/zinc/23/71/32/416237132.db2.gz CTLYOXZDNOFQRL-CYBMUJFWSA-N 0 0 319.409 0.902 50 0 DCAARN COC(=O)C[C@H]1CSCCN1C[C@@H]1CCCS(=O)(=O)C1 ZINC000253416319 416334816 /nfs/dbraw/zinc/33/48/16/416334816.db2.gz ARXBKPGDNQDJKG-RYUDHWBXSA-N 0 0 321.464 0.792 50 0 DCAARN CC[C@@H](NC(C)=O)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000263586646 416338350 /nfs/dbraw/zinc/33/83/50/416338350.db2.gz WMDSMJVFXWGPFJ-BFHYXJOUSA-N 0 0 317.389 0.709 50 0 biogenic DCAARN O=C(NC[C@@H]1COCCO1)c1ccccc1N1CCOCC1 ZINC000215576264 416327134 /nfs/dbraw/zinc/32/71/34/416327134.db2.gz AKZMIYONLKNKCT-CYBMUJFWSA-N 0 0 306.362 0.668 50 0 DCAARN CN1C(=O)C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)c2ccccc21 ZINC000216258113 416327406 /nfs/dbraw/zinc/32/74/06/416327406.db2.gz KPHXNDUGLQEAHI-JTQLQIEISA-N 0 0 312.329 0.650 50 0 DCAARN O=C(CN1CCOCC1)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000240517139 416329920 /nfs/dbraw/zinc/32/99/20/416329920.db2.gz NVKYOGARSUMDFS-XEZPLFJOSA-N 0 0 305.378 0.342 50 0 DCAARN CCc1cccnc1C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000241587883 416329922 /nfs/dbraw/zinc/32/99/22/416329922.db2.gz OXWRSUBSTFHKTR-BDJLRTHQSA-N 0 0 316.361 0.752 50 0 DCAARN CO[C@@H]1C[C@@H]2C(=O)N([C@H]3CCN(CC(F)(F)F)C3)C(=O)N2C1 ZINC000240407399 416329963 /nfs/dbraw/zinc/32/99/63/416329963.db2.gz FLXXOIPSQSIMJT-IVZWLZJFSA-N 0 0 321.299 0.675 50 0 DCAARN CC(C)Cn1cnc(S(=O)(=O)N2CC[C@@H](n3cncn3)C2)c1 ZINC000240333300 416329970 /nfs/dbraw/zinc/32/99/70/416329970.db2.gz FCVUXEGZNFQAHX-GFCCVEGCSA-N 0 0 324.410 0.766 50 0 DCAARN O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O)c1ccc[nH]1 ZINC000240163574 416330063 /nfs/dbraw/zinc/33/00/63/416330063.db2.gz JCALNLLSEGDBBX-BXUZGUMPSA-N 0 0 314.345 0.415 50 0 DCAARN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)S(=O)(=O)c1nncn1C ZINC000241287534 416330113 /nfs/dbraw/zinc/33/01/13/416330113.db2.gz LMIGAWNIBLXLBS-VWYCJHECSA-N 0 0 314.411 0.672 50 0 DCAARN Cn1nc2c(c1C(=O)NCCSc1c[nH]nn1)CCCC2 ZINC000244633494 416330241 /nfs/dbraw/zinc/33/02/41/416330241.db2.gz GDZNFTOQUNPRRI-UHFFFAOYSA-N 0 0 306.395 0.939 50 0 DCAARN Cn1ncnc1CCNC(=O)[C@H]1CCCCN1C(=O)C1CC1 ZINC000243914972 416330274 /nfs/dbraw/zinc/33/02/74/416330274.db2.gz BLECKSYDGPOWAD-GFCCVEGCSA-N 0 0 305.382 0.265 50 0 DCAARN CC[C@@](O)(C(=O)NC[C@H](O)C(=O)OC)c1cccc(Cl)c1 ZINC000241774192 416330288 /nfs/dbraw/zinc/33/02/88/416330288.db2.gz RNUUDZBPUYPPQP-FZMZJTMJSA-N 0 0 315.753 0.588 50 0 DCAARN CCc1[nH]nc(C(=O)N[C@H]2C[C@H](c3nnc(CO)n3C)C2)c1C ZINC000244691739 416330659 /nfs/dbraw/zinc/33/06/59/416330659.db2.gz JIGRBNYKXOFOKW-MGCOHNPYSA-N 0 0 318.381 0.577 50 0 DCAARN Cc1nc([C@H]2CCCN(CC(=O)Nc3cnn(C)c3C)C2)n[nH]1 ZINC000244724011 416330775 /nfs/dbraw/zinc/33/07/75/416330775.db2.gz MLZRAYNHYXRWQR-LBPRGKRZSA-N 0 0 317.397 0.973 50 0 DCAARN CCc1nnsc1C(=O)N[C@H]1C[C@@H](c2nnc(CO)n2C)C1 ZINC000244718905 416330833 /nfs/dbraw/zinc/33/08/33/416330833.db2.gz LTAJKFGQBVIWDQ-OCAPTIKFSA-N 0 0 322.394 0.397 50 0 DCAARN COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC000244795020 416331101 /nfs/dbraw/zinc/33/11/01/416331101.db2.gz QYELSIIFSGLVSX-PHIMTYICSA-N 0 0 319.365 0.421 50 0 DCAARN Cc1nn(C)c(C)c1CN(CCO)Cc1nc2ncccn2n1 ZINC000244773796 416331194 /nfs/dbraw/zinc/33/11/94/416331194.db2.gz PGUOWVGBCDVADJ-UHFFFAOYSA-N 0 0 315.381 0.469 50 0 DCAARN C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)Nc1ccc(C2CC2)nn1 ZINC000583651045 416480498 /nfs/dbraw/zinc/48/04/98/416480498.db2.gz FUXKJGYEVUXLRE-AEJSXWLSSA-N 0 0 303.366 1.483 50 0 DCAARN Nc1nnc(C[NH2+]C2CCN(C(=O)c3cccnc3)CC2)s1 ZINC000534578203 416503833 /nfs/dbraw/zinc/50/38/33/416503833.db2.gz JFBUEJOJKGKAGO-UHFFFAOYSA-N 0 0 318.406 0.910 50 0 DCAARN CC(C)(C)n1nnnc1CN1CC[C@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000585116135 416517704 /nfs/dbraw/zinc/51/77/04/416517704.db2.gz IHWMDYXYPPLHQQ-VIFPVBQESA-N 0 0 318.385 0.495 50 0 DCAARN Cn1[nH]c([C@H]2CCCN2C(=O)c2ncc(F)cc2F)nc1=N ZINC000565091119 416923267 /nfs/dbraw/zinc/92/32/67/416923267.db2.gz CUBKUCSLFSNPPO-SECBINFHSA-N 0 0 308.292 0.878 50 0 DCAARN COC[C@@]1(C(=O)NCCNC(=O)c2ccc(F)cc2)CCOC1 ZINC000449802303 417176026 /nfs/dbraw/zinc/17/60/26/417176026.db2.gz JFEVNRFWCISVDU-INIZCTEOSA-N 0 0 324.352 0.725 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)N1CC[C@H](OCC2CC2)C1 ZINC000575609630 417541709 /nfs/dbraw/zinc/54/17/09/417541709.db2.gz YEVONSGWLULAQE-RYUDHWBXSA-N 0 0 302.396 0.384 50 0 DCAARN CC[C@@](C)(CNC(=O)[C@H](NC(C)=O)C(C)C)N1CCOCC1 ZINC000031930654 287387514 /nfs/dbraw/zinc/38/75/14/287387514.db2.gz LDXKMBRTAGNHLZ-ZBFHGGJFSA-N 0 0 313.442 0.764 50 0 DCAARN O=C(CCCN1CCCCC1=O)NCc1c[nH]c(=O)[nH]c1=O ZINC000299774923 229424979 /nfs/dbraw/zinc/42/49/79/229424979.db2.gz JFRKRHLRVKIZGY-UHFFFAOYSA-N 0 0 308.338 0.297 50 0 DCAARN CN(C)c1cc(C(=O)N2C[C@H](O)[C@@H](CO)C2)c2ccccc2n1 ZINC000424061960 271396613 /nfs/dbraw/zinc/39/66/13/271396613.db2.gz UNSAIJXQPCQQJJ-ABAIWWIYSA-N 0 0 315.373 0.726 50 0 DCAARN Cc1cccc([C@H](C)NC(=O)C2CCN(CC(N)=O)CC2)n1 ZINC000091664303 274796720 /nfs/dbraw/zinc/79/67/20/274796720.db2.gz POBBYNZCUZSYBJ-LBPRGKRZSA-N 0 0 304.394 0.765 50 0 DCAARN CC(C)c1cnc2c(c1SCC(N)=O)c(=O)n(C)c(=O)n2C ZINC000015883461 276063462 /nfs/dbraw/zinc/06/34/62/276063462.db2.gz HGMRCFQEFMRVNH-UHFFFAOYSA-N 0 0 322.390 0.333 50 0 DCAARN CC1(C)C(=O)NCCN1C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000110707540 276098337 /nfs/dbraw/zinc/09/83/37/276098337.db2.gz DFTOIJNJZQFIKJ-UHFFFAOYSA-N 0 0 301.346 0.922 50 0 DCAARN COC(=O)c1cc(-c2ccco2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000001425658 277418422 /nfs/dbraw/zinc/41/84/22/277418422.db2.gz GPDMJEVKLYIQJD-UHFFFAOYSA-N 0 0 315.285 0.679 50 0 DCAARN CC(C)N(C(=O)CSc1nncc(=O)n1N)c1ccccc1 ZINC000011024018 277529140 /nfs/dbraw/zinc/52/91/40/277529140.db2.gz OOFWANACCQCWKS-UHFFFAOYSA-N 0 0 319.390 0.886 50 0 DCAARN C[C@@H]1c2ccsc2CCN1CCS(=O)(=O)CCC(N)=O ZINC000016420632 278112229 /nfs/dbraw/zinc/11/22/29/278112229.db2.gz PVJNSVZPQGBSMO-SNVBAGLBSA-N 0 0 316.448 0.957 50 0 DCAARN CC(C)(C)NC(=O)CNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000054459740 278359673 /nfs/dbraw/zinc/35/96/73/278359673.db2.gz WDJKTQUFYQZCBM-XPTSAGLGSA-N 0 0 313.423 0.471 50 0 DCAARN CCCOC(=O)C1=C(C)N[C@@]2(O)c3ccccc3C(=O)[C@@]12O ZINC000020159106 278844046 /nfs/dbraw/zinc/84/40/46/278844046.db2.gz XCMCQTWJJCRMCW-JKSUJKDBSA-N 0 0 303.314 0.590 50 0 DCAARN C[C@@H]1c2cc(F)ccc2CCN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000095405601 279131163 /nfs/dbraw/zinc/13/11/63/279131163.db2.gz RZXSONPPPRJQSX-SSDOTTSWSA-N 0 0 318.308 0.956 50 0 DCAARN Cn1cc([C@@H]2CCN(C(=O)NCc3cc(C(N)=O)co3)C2)cn1 ZINC000548005496 288101040 /nfs/dbraw/zinc/10/10/40/288101040.db2.gz NNXTWYLLXGSVRK-SNVBAGLBSA-N 0 0 317.349 0.811 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)c2cn(C)nc2SC)CC1 ZINC000095458635 288110157 /nfs/dbraw/zinc/11/01/57/288110157.db2.gz JNAFMDNATJZKAW-NSHDSACASA-N 0 0 312.439 0.671 50 0 DCAARN CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC2(CCCCC2)C1 ZINC000408517140 280028250 /nfs/dbraw/zinc/02/82/50/280028250.db2.gz YPQNGQCZLRCTIV-GFCCVEGCSA-N 0 0 318.439 0.876 50 0 DCAARN CC1(C)O[C@H]2[C@@H](O1)[C@@H](n1ccc(=O)[nH]c1=S)O[C@H]2CO ZINC000071772852 281420114 /nfs/dbraw/zinc/42/01/14/281420114.db2.gz YZPAYNHRIOAAHF-ZQNVIIHSSA-N 0 0 300.336 0.316 50 0 DCAARN CN(C)C(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000253395047 288974235 /nfs/dbraw/zinc/97/42/35/288974235.db2.gz IFSVMIBMIPABBX-UHFFFAOYSA-N 0 0 313.370 0.659 50 0 DCAARN CN(CC1CC1)S(=O)(=O)N1CCCC[C@H]1CS(C)(=O)=O ZINC000332166903 289562691 /nfs/dbraw/zinc/56/26/91/289562691.db2.gz SHBBNQHVWYLCFM-LBPRGKRZSA-N 0 0 324.468 0.472 50 0 DCAARN CN1C(=O)CO[C@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1F ZINC000072241579 289815822 /nfs/dbraw/zinc/81/58/22/289815822.db2.gz MWJRLVYOBWWDME-CABCVRRESA-N 0 0 322.336 0.583 50 0 DCAARN C[N@@H+]1CCN2CCN(Cc3ccc(O)c(C(=O)[O-])c3)C[C@H]2C1 ZINC000244605596 290060759 /nfs/dbraw/zinc/06/07/59/290060759.db2.gz FBLQPEYJQITRPA-CYBMUJFWSA-N 0 0 305.378 0.522 50 0 DCAARN Cn1c2c(c(=O)n(C)c1=O)[C@@H]1c3cc(N)ccc3OC[C@H]1CO2 ZINC000006623963 294175648 /nfs/dbraw/zinc/17/56/48/294175648.db2.gz KTIHGMHJGBNFNA-UFBFGSQYSA-N 0 0 315.329 0.199 50 0 biogenic DCAARN Cn1ncc(-n2c(=O)c3ccccc3[nH]c2=S)c1C(N)=O ZINC000008416880 294524070 /nfs/dbraw/zinc/52/40/70/294524070.db2.gz FQAMKUFJUDKQNW-UHFFFAOYSA-N 0 0 301.331 0.881 50 0 DCAARN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)N[C@H](C)C[S@@](C)=O ZINC000376942991 294690967 /nfs/dbraw/zinc/69/09/67/294690967.db2.gz GKGVDAKNGPHZBK-YFIHPEKUSA-N 0 0 300.424 0.818 50 0 DCAARN COc1ccc(NC(=O)CN(C)S(C)(=O)=O)c(OC)c1 ZINC000022606546 295157406 /nfs/dbraw/zinc/15/74/06/295157406.db2.gz ZWIOCNNMXGHATQ-UHFFFAOYSA-N 0 0 302.352 0.534 50 0 DCAARN COC(=O)C1(C(=O)N2CCCC[C@@H]2CN2CCOCC2)CC1 ZINC000071761985 331922759 /nfs/dbraw/zinc/92/27/59/331922759.db2.gz AAPGZAFOMASLKR-CYBMUJFWSA-N 0 0 310.394 0.653 50 0 DCAARN COc1ccccc1N1CCN(C(=O)c2cc(N)n[nH]2)CC1=O ZINC000082087879 331989932 /nfs/dbraw/zinc/98/99/32/331989932.db2.gz SGYKDDZTUYMLFH-UHFFFAOYSA-N 0 0 315.333 0.490 50 0 DCAARN NC(=O)c1csc(S(=O)(=O)NCC[C@H]2CCCOC2)c1 ZINC000534576190 334287767 /nfs/dbraw/zinc/28/77/67/334287767.db2.gz REFRMHZZBVWCEJ-SECBINFHSA-N 0 0 318.420 0.942 50 0 DCAARN CN(C[C@@H](O)CO)C(=O)c1ccc(-c2ccc(O)cn2)cc1 ZINC000534576232 334287881 /nfs/dbraw/zinc/28/78/81/334287881.db2.gz PNTBGUYEUATNDI-CQSZACIVSA-N 0 0 302.330 0.879 50 0 DCAARN Cc1c(S(=O)(=O)N[C@@H](c2nccn2C)C2CC2)cnn1C ZINC000534582507 334289893 /nfs/dbraw/zinc/28/98/93/334289893.db2.gz IEERBFYZHICXDI-GFCCVEGCSA-N 0 0 309.395 0.892 50 0 DCAARN Cc1cc(CN(C)C(=O)NCCS(=O)(=O)N(C)C)on1 ZINC000534585424 334291828 /nfs/dbraw/zinc/29/18/28/334291828.db2.gz JIVZUYFVSWRXHH-UHFFFAOYSA-N 0 0 304.372 0.016 50 0 DCAARN CC(C)[C@H](NC(=O)c1cnc2nc[nH]n2c1=O)c1nccn1C ZINC000534651658 334312195 /nfs/dbraw/zinc/31/21/95/334312195.db2.gz KJYWBKXIFOUJEH-JTQLQIEISA-N 0 0 315.337 0.278 50 0 DCAARN Cc1nnc([C@H]2CCCN(C(=O)NCCn3cncn3)C2)[nH]1 ZINC000534649349 334317011 /nfs/dbraw/zinc/31/70/11/334317011.db2.gz DNQWJQSMGWUUKU-NSHDSACASA-N 0 0 304.358 0.294 50 0 DCAARN CN1CCN([C@H]2COC[C@@H]2NC(=O)c2cncc(Cl)c2)CC1 ZINC000534673794 334321435 /nfs/dbraw/zinc/32/14/35/334321435.db2.gz AAKGPTIZJIHTPU-KBPBESRZSA-N 0 0 324.812 0.480 50 0 DCAARN CCNC(=O)[C@H](C)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000103317728 517666119 /nfs/dbraw/zinc/66/61/19/517666119.db2.gz QOMRDOZGBRMDLO-SDDRHHMPSA-N 0 0 323.393 0.193 50 0 DCAARN Cn1nc2c(c1C(=O)N1CCN3C(=O)OC[C@@H]3C1)CCCC2 ZINC000299780351 534827536 /nfs/dbraw/zinc/82/75/36/534827536.db2.gz UQHAGYALXQDDLW-JTQLQIEISA-N 0 0 304.350 0.576 50 0 DCAARN CC(=O)N1CCC[C@@H](CNC(=O)c2cccn3cnnc23)C1 ZINC000299796238 526570881 /nfs/dbraw/zinc/57/08/81/526570881.db2.gz MMFRXUUGEMVNIL-LBPRGKRZSA-N 0 0 301.350 0.718 50 0 DCAARN O=S(=O)(NCCn1cncn1)c1cccc2c1OCCO2 ZINC000264645020 527221355 /nfs/dbraw/zinc/22/13/55/527221355.db2.gz CJBOGNHRMODDFO-UHFFFAOYSA-N 0 0 310.335 0.028 50 0 DCAARN Cn1ccnc(NC(=O)C2CCN(CC(F)(F)F)CC2)c1=O ZINC000267941339 527414631 /nfs/dbraw/zinc/41/46/31/527414631.db2.gz OBRBDSROMPPWLN-UHFFFAOYSA-N 0 0 318.299 0.993 50 0 DCAARN CC(C)CC(=O)N1CCC(C(=O)NCCn2cnnc2)CC1 ZINC000299782729 527654938 /nfs/dbraw/zinc/65/49/38/527654938.db2.gz YMGABDOCYGUJGH-UHFFFAOYSA-N 0 0 307.398 0.679 50 0 DCAARN CC1(C)CC(=O)N(CC(=O)NC[C@H]2Cc3ccccc3O2)C1=O ZINC000331514996 528879869 /nfs/dbraw/zinc/87/98/69/528879869.db2.gz ROPAVHJTGSJHMV-GFCCVEGCSA-N 0 0 316.357 0.891 50 0 DCAARN CCOC(=O)N1CCN(C(=O)[C@@H]2CCc3cncn3C2)CC1 ZINC000328592613 528989338 /nfs/dbraw/zinc/98/93/38/528989338.db2.gz OZICWFJIQUGCNP-GFCCVEGCSA-N 0 0 306.366 0.746 50 0 DCAARN CCCn1nnnc1CN1CCN(c2nccc(OC)n2)CC1 ZINC000065540511 535651425 /nfs/dbraw/zinc/65/14/25/535651425.db2.gz OROLPCSLYRXXDF-UHFFFAOYSA-N 0 0 318.385 0.204 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1c1ncnc2sccc21 ZINC000007002786 536348708 /nfs/dbraw/zinc/34/87/08/536348708.db2.gz HTSXGQNUPFJOPB-VIFPVBQESA-N 0 0 306.347 0.559 50 0 DCAARN COC[C@@H](C)NC(=O)Cn1c(=O)ncn1-c1cc(C)ccc1C ZINC000092276880 545721885 /nfs/dbraw/zinc/72/18/85/545721885.db2.gz DYQHYZLSSLTPIQ-CYBMUJFWSA-N 0 0 318.377 0.802 50 0 DCAARN C[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(-c2ncn(C)n2)cc1 ZINC000188467095 545917165 /nfs/dbraw/zinc/91/71/65/545917165.db2.gz DANDBFRXMVXLJG-NSHDSACASA-N 0 0 313.361 0.785 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(C)(=O)=O ZINC000206804604 545936345 /nfs/dbraw/zinc/93/63/45/545936345.db2.gz WJWYPMVKXAAGHN-KOLCDFICSA-N 0 0 317.338 0.780 50 0 DCAARN COc1ccc([C@@H](O)CNC(=O)N2CCNC2=O)cc1OC ZINC000211088128 545937420 /nfs/dbraw/zinc/93/74/20/545937420.db2.gz VCYCIXRTBPLTHB-JTQLQIEISA-N 0 0 309.322 0.472 50 0 DCAARN CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(SC)cc1 ZINC000215800736 545937671 /nfs/dbraw/zinc/93/76/71/545937671.db2.gz SSXJBDIAXWJESR-ZDUSSCGKSA-N 0 0 307.419 0.845 50 0 DCAARN CS(=O)(=O)NCc1nnc2ccc(-c3ccsc3)nn21 ZINC000238839138 545960521 /nfs/dbraw/zinc/96/05/21/545960521.db2.gz HLBBPWZZDIUZFV-UHFFFAOYSA-N 0 0 309.376 0.902 50 0 DCAARN O=C(NCC1CC1)[C@@H]1CCCN(S(=O)(=O)[C@H]2CCOC2)C1 ZINC000332892921 546065407 /nfs/dbraw/zinc/06/54/07/546065407.db2.gz WYTVSNDYKLPIJW-OLZOCXBDSA-N 0 0 316.423 0.343 50 0 DCAARN Cc1cc(C)c(S(=O)(=O)NCc2nc(C(N)=O)co2)s1 ZINC000585091924 546303405 /nfs/dbraw/zinc/30/34/05/546303405.db2.gz KJGGOCXJFCPQLH-UHFFFAOYSA-N 0 0 315.376 0.930 50 0 DCAARN C[C@H]1CN(S(=O)(=O)c2cc(C(N)=O)cs2)CCN1C ZINC000670440588 547091583 /nfs/dbraw/zinc/09/15/83/547091583.db2.gz VHBZPQFWVZTWAK-QMMMGPOBSA-N 0 0 303.409 0.172 50 0 DCAARN O=C([O-])c1n[nH]cc1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000670452049 547096717 /nfs/dbraw/zinc/09/67/17/547096717.db2.gz GVAKIMFRBSHIMT-LBPRGKRZSA-N 0 0 308.382 0.652 50 0 DCAARN CC(C)C1=NO[C@@H](C(=O)N2CCN(Cc3nc[nH]n3)CC2)C1 ZINC000670461393 547098657 /nfs/dbraw/zinc/09/86/57/547098657.db2.gz GHHLNNVGZZSPRL-GFCCVEGCSA-N 0 0 306.370 0.250 50 0 DCAARN Cc1ccn2cc(CNS(=O)(=O)N3CCN(C)CC3)nc2c1 ZINC000670467173 547100157 /nfs/dbraw/zinc/10/01/57/547100157.db2.gz DMECHXMDEZIRTH-UHFFFAOYSA-N 0 0 323.422 0.225 50 0 DCAARN CC(C)c1nnc(N2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)s1 ZINC000670471883 547101513 /nfs/dbraw/zinc/10/15/13/547101513.db2.gz MKDOEVJAYZJJEE-RYUDHWBXSA-N 0 0 311.455 0.458 50 0 DCAARN C[C@H](C(=O)NC1(C(N)=O)CCOCC1)n1cnc2ccccc21 ZINC000676328017 547767729 /nfs/dbraw/zinc/76/77/29/547767729.db2.gz NKIPVQDALYCXMF-LLVKDONJSA-N 0 0 316.361 0.748 50 0 DCAARN O=C(CN1CCCCCCC1=O)N1CCC(OCCO)CC1 ZINC000678573945 547991810 /nfs/dbraw/zinc/99/18/10/547991810.db2.gz AFZHCTQSMVBOCF-UHFFFAOYSA-N 0 0 312.410 0.779 50 0 DCAARN CCc1n[nH]c([C@@H]2C[C@@H](O)[C@@H](CNC(=O)c3ccn(C)c3)C2)n1 ZINC000685943097 548747786 /nfs/dbraw/zinc/74/77/86/548747786.db2.gz ROMQCHKBSCKGIL-YNEHKIRRSA-N 0 0 317.393 0.990 50 0 DCAARN CC1=C(C(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)CCCO1 ZINC000685943201 548747987 /nfs/dbraw/zinc/74/79/87/548747987.db2.gz SYFJZYZKTKAGDO-OUCADQQQSA-N 0 0 320.393 0.870 50 0 DCAARN C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000685944822 548749057 /nfs/dbraw/zinc/74/90/57/548749057.db2.gz ATUVAQFYNHLOLU-ZWNOBZJWSA-N 0 0 307.350 0.307 50 0 DCAARN Cc1ccc2[nH]c([C@@H](C)NC(=O)CCNS(C)(=O)=O)nc2c1 ZINC000221235590 563723142 /nfs/dbraw/zinc/72/31/42/563723142.db2.gz RIRMPTHEAHSKRF-SNVBAGLBSA-N 0 0 324.406 0.988 50 0 DCAARN CCOC(=O)[C@@]1(COC)CCCN(C(=O)Nc2cccnn2)C1 ZINC000328587980 563960161 /nfs/dbraw/zinc/96/01/61/563960161.db2.gz KYBWTPISSVRPSI-HNNXBMFYSA-N 0 0 322.365 1.300 50 0 DCAARN CC(C)C[C@@H](C(=O)N[C@H]1CS(=O)(=O)C[C@H]1O)n1cccc1 ZINC000888105178 661219823 /nfs/dbraw/zinc/21/98/23/661219823.db2.gz YYEQNTFFQPWTAZ-RWMBFGLXSA-N 0 0 314.407 0.349 50 0 DCAARN O=C(c1ccccc1)N1CCN2C(=O)[C@@H]3CCCN3C(=O)[C@H]2C1 ZINC000014743597 658264323 /nfs/dbraw/zinc/26/43/23/658264323.db2.gz WROICSDOZWXBBV-UONOGXRCSA-N 0 0 313.357 0.344 50 0 DCAARN CCCCN1c2ccccc2[C@@](O)(c2sc(N)nc2O)C1=O ZINC000102423752 658423147 /nfs/dbraw/zinc/42/31/47/658423147.db2.gz WRKNGODCNDMGIS-XHDPSFHLSA-N 0 0 319.386 0.978 50 0 DCAARN Cn1cc(CN2CCO[C@@H](C(N)=O)C2)c(-c2cccs2)n1 ZINC000179941043 658947535 /nfs/dbraw/zinc/94/75/35/658947535.db2.gz SUAZDXXVHJKFFZ-LLVKDONJSA-N 0 0 306.391 0.835 50 0 DCAARN O=C(CN1CCOCC1)N1CCC(Oc2ccncc2)CC1 ZINC000299783204 659645647 /nfs/dbraw/zinc/64/56/47/659645647.db2.gz ZDUDQLTYEWEBLN-UHFFFAOYSA-N 0 0 305.378 0.784 50 0 DCAARN COCCN(Cc1ccncc1)C(=O)NCCN1CCCC1=O ZINC000426420620 661583035 /nfs/dbraw/zinc/58/30/35/661583035.db2.gz KZNJOLIITGJZOG-UHFFFAOYSA-N 0 0 320.393 0.862 50 0 DCAARN O=C(CCN1CCCCCC1=O)N1CCC[C@](O)(CO)CC1 ZINC000952966803 665829777 /nfs/dbraw/zinc/82/97/77/665829777.db2.gz XGOGJZMEDLTCGC-MRXNPFEDSA-N 0 0 312.410 0.515 50 0 DCAARN CC(=O)N1CCC([C@H]2CCN(C(=O)CN3CCCC3=O)C2)CC1 ZINC000169781474 664561337 /nfs/dbraw/zinc/56/13/37/664561337.db2.gz QXWVRTDEWDNGQK-HNNXBMFYSA-N 0 0 321.421 0.716 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)NCCN1C[C@H](C)O[C@@H](C)C1 ZINC000229120020 667478543 /nfs/dbraw/zinc/47/85/43/667478543.db2.gz DHERFWYMDYXRHB-RDBSUJKOSA-N 0 0 309.414 0.680 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)NCc2nonc2C)cc1 ZINC000742326359 667789409 /nfs/dbraw/zinc/78/94/09/667789409.db2.gz PYUCJNPFDULMOX-UHFFFAOYSA-N 0 0 310.335 0.216 50 0 DCAARN NC(=O)CN1CCC[C@H](C(=O)N2CCC[C@H]2c2ccccn2)C1 ZINC000952971731 685599834 /nfs/dbraw/zinc/59/98/34/685599834.db2.gz XQXBTBUJBUTISY-ZFWWWQNUSA-N 0 0 316.405 0.942 50 0 DCAARN CCN(C(=O)c1ccccc1N1CCOCC1)[C@H]1COC[C@@H]1O ZINC000952978862 685601240 /nfs/dbraw/zinc/60/12/40/685601240.db2.gz UAFBTYAGFXFBFI-HOTGVXAUSA-N 0 0 320.389 0.745 50 0 DCAARN COc1cc(NC(=O)Cn2ccnc2C)cc(-n2cnnn2)c1 ZINC000952990108 685603005 /nfs/dbraw/zinc/60/30/05/685603005.db2.gz UPCJIDJMTPJCIZ-UHFFFAOYSA-N 0 0 313.321 0.815 50 0 DCAARN COc1cccc(CC(=O)N2CC[C@@H](OC(=O)N(C)C)C2)n1 ZINC000952994353 685603365 /nfs/dbraw/zinc/60/33/65/685603365.db2.gz GTZGGLXQYWLIPJ-GFCCVEGCSA-N 0 0 307.350 0.932 50 0 DCAARN C[C@H]1NC(=O)[C@H]2CN(C(=O)c3cc(F)ccc3F)CCN2C1=O ZINC000014743927 685048292 /nfs/dbraw/zinc/04/82/92/685048292.db2.gz IISJRKVKQVAZCL-PRHODGIISA-N 0 0 323.299 0.136 50 0 DCAARN CN1CCN(c2cnn(CC(=O)c3cccnc3)c(=O)c2)CC1 ZINC000020454603 685051769 /nfs/dbraw/zinc/05/17/69/685051769.db2.gz XNJBXNCKXICBDZ-UHFFFAOYSA-N 0 0 313.361 0.273 50 0 DCAARN CCC[C@H]1C[N@H+](CC(=O)[O-])C[C@@H]1NC(=O)Cn1ccccc1=O ZINC000091548492 685105643 /nfs/dbraw/zinc/10/56/43/685105643.db2.gz AKTNJDVBPNPNBV-STQMWFEESA-N 0 0 321.377 0.150 50 0 DCAARN CCCN(C(=O)c1cnc(C(N)=O)cn1)[C@@H]1CCCC[C@H]1O ZINC001772702362 1157841794 /nfs/dbraw/zinc/84/17/94/1157841794.db2.gz BFBUBNSLJAKVMF-CHWSQXEVSA-N 0 0 306.366 0.731 50 0 DCAARN Cc1cccn2ncc(C(=O)N3CC[C@H]4OCC(=O)N[C@H]4C3)c12 ZINC001772705704 1157843841 /nfs/dbraw/zinc/84/38/41/1157843841.db2.gz MQVSJFWXISXKAI-QWHCGFSZSA-N 0 0 314.345 0.372 50 0 DCAARN Cc1cccn2c(CC(=O)N3CCC([C@H](O)CO)CC3)cnc12 ZINC001772709035 1157846331 /nfs/dbraw/zinc/84/63/31/1157846331.db2.gz MJKAYGCVBBRNEB-OAHLLOKOSA-N 0 0 317.389 0.777 50 0 DCAARN C[C@@H](CC(=O)NC[C@]1(CO)COCCN1)Cc1cccc(F)c1 ZINC000585128958 1158818098 /nfs/dbraw/zinc/81/80/98/1158818098.db2.gz SCVXACFRJOKUJE-DYVFJYSZSA-N 0 0 324.396 0.862 50 0 DCAARN COCC1(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)CCC1 ZINC001704297760 1179964850 /nfs/dbraw/zinc/96/48/50/1179964850.db2.gz DSEOHYAVDNFOLI-TZMCWYRMSA-N 0 0 305.378 0.655 50 0 DCAARN CC(=O)NCC(=O)N1CCC[C@@]2(CCc3cnc(C)nc32)C1 ZINC001704305984 1179967724 /nfs/dbraw/zinc/96/77/24/1179967724.db2.gz YPGDGTOROCPFPE-MRXNPFEDSA-N 0 0 302.378 0.728 50 0 DCAARN Cc1cc2c(cc1CN1C[C@@H]3COC[C@H](C1)NC3=O)OCO2 ZINC001704313879 1179969229 /nfs/dbraw/zinc/96/92/29/1179969229.db2.gz MNPHVDCIKPSCOS-OLZOCXBDSA-N 0 0 304.346 0.671 50 0 DCAARN Cc1cc(=O)cc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)o1 ZINC001704312211 1179969954 /nfs/dbraw/zinc/96/99/54/1179969954.db2.gz FHCUCBBNAIYOLX-BXUZGUMPSA-N 0 0 315.329 0.414 50 0 DCAARN O=C1CCc2cn(nn2)CCCC(=O)N2CCC(CN1)CC2 ZINC001704336743 1179977586 /nfs/dbraw/zinc/97/75/86/1179977586.db2.gz MPFKXFYFNWJOSS-UHFFFAOYSA-N 0 0 305.382 0.359 50 0 DCAARN Cc1nc(CN(CCO)C(=O)CN(C)Cc2ccncc2)c[nH]1 ZINC001704336847 1179977926 /nfs/dbraw/zinc/97/79/26/1179977926.db2.gz SCLZLRNWJKDYLH-UHFFFAOYSA-N 0 0 317.393 0.566 50 0 DCAARN CNc1ncc(C(=O)N2C[C@@H](Cc3ccncc3)[C@H](O)C2)cn1 ZINC001704352435 1179982910 /nfs/dbraw/zinc/98/29/10/1179982910.db2.gz YWDJOETVEUKYGV-TZMCWYRMSA-N 0 0 313.361 0.589 50 0 DCAARN CC(C)C(NC(=O)c1cc2n(n1)C[C@H](O)CNC2=O)C(C)C ZINC001704357369 1179984632 /nfs/dbraw/zinc/98/46/32/1179984632.db2.gz RFMDVMZAQKEYSI-SNVBAGLBSA-N 0 0 308.382 0.398 50 0 DCAARN COCC1(CNC(=O)C[C@@H]2C(=O)NCCN2C(C)C)CCC1 ZINC000824346672 758770202 /nfs/dbraw/zinc/77/02/02/758770202.db2.gz BECDIOHVBDKFMW-CYBMUJFWSA-N 0 0 311.426 0.518 50 0 DCAARN CO[C@H]1COC[C@@H]1NS(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000824506854 758778127 /nfs/dbraw/zinc/77/81/27/758778127.db2.gz VJUVXBJZHXSOLC-RYUDHWBXSA-N 0 0 317.411 0.773 50 0 DCAARN COc1ccc(NC(=O)[C@@H](C)N2CCOCC2)c2nonc21 ZINC000824645543 758780623 /nfs/dbraw/zinc/78/06/23/758780623.db2.gz RQKPFQCGKZGQSW-SECBINFHSA-N 0 0 306.322 0.891 50 0 DCAARN COc1cccc(S(=O)(=O)N(C)C[C@H]2CC(=O)N(C)C2)c1 ZINC000824788009 758785152 /nfs/dbraw/zinc/78/51/52/758785152.db2.gz UXMLRGWAZDFKFA-NSHDSACASA-N 0 0 312.391 0.794 50 0 DCAARN Cc1cc2c(ncnc2N[C@@H]2C[C@H]3C(=O)NCC(=O)N3C2)s1 ZINC000825151508 758798214 /nfs/dbraw/zinc/79/82/14/758798214.db2.gz NRUNEPFPBOGKNB-SCZZXKLOSA-N 0 0 317.374 0.511 50 0 DCAARN Cc1ccc(OCCS(=O)(=O)N[C@@H]2CCN(C)C2=O)cc1 ZINC000825178110 758798559 /nfs/dbraw/zinc/79/85/59/758798559.db2.gz GOYBSZWTALXONF-CYBMUJFWSA-N 0 0 312.391 0.524 50 0 DCAARN Cc1c(S(=O)(=O)NCCCn2ccccc2=O)cnn1C ZINC000825656301 758811874 /nfs/dbraw/zinc/81/18/74/758811874.db2.gz SIJHWLQAUVSFLM-UHFFFAOYSA-N 0 0 310.379 0.259 50 0 DCAARN O=C(CCCN1CCCC1=O)NC[C@@H](O)c1cccc(O)c1 ZINC000828019332 758911174 /nfs/dbraw/zinc/91/11/74/758911174.db2.gz OQHIJUVYCYQUMO-CQSZACIVSA-N 0 0 306.362 0.944 50 0 DCAARN O=S(=O)(NCc1csc(-c2cnccn2)n1)c1cn[nH]c1 ZINC000828388923 759001970 /nfs/dbraw/zinc/00/19/70/759001970.db2.gz OIMSDVSFRMKYCA-UHFFFAOYSA-N 0 0 322.375 0.802 50 0 DCAARN Cn1cc(C(=O)N2CCC(F)(C(=O)N3CCCC3)CC2)cn1 ZINC000581817899 760255840 /nfs/dbraw/zinc/25/58/40/760255840.db2.gz AKJROGKXWJIRMJ-UHFFFAOYSA-N 0 0 308.357 0.987 50 0 DCAARN CCn1ccc(C(=O)N2CCC(n3c(C)nn(C)c3=O)CC2)n1 ZINC000581814115 760257509 /nfs/dbraw/zinc/25/75/09/760257509.db2.gz ZERIPOUXZGSVKR-UHFFFAOYSA-N 0 0 318.381 0.584 50 0 DCAARN CCOc1nc(C)c(NC(=O)c2ccc(=O)n(C)n2)c(C)n1 ZINC000585493318 768083091 /nfs/dbraw/zinc/08/30/91/768083091.db2.gz MXKNNPYUHUPYJI-UHFFFAOYSA-N 0 0 303.322 0.838 50 0 DCAARN O=c1ncccn1CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000670964119 765235754 /nfs/dbraw/zinc/23/57/54/765235754.db2.gz FPGBKGQZAHDCRX-UHFFFAOYSA-N 0 0 315.301 0.500 50 0 DCAARN COc1ccc(F)cc1S(=O)(=O)N1CC(n2nccn2)C1 ZINC000888107060 765410869 /nfs/dbraw/zinc/41/08/69/765410869.db2.gz VDYDWLLQCFTVJM-UHFFFAOYSA-N 0 0 312.326 0.671 50 0 DCAARN Cn1cncc1CCNC(=O)[C@@H]1COCCN1CC1CCC1 ZINC000585083088 766268612 /nfs/dbraw/zinc/26/86/12/766268612.db2.gz RIHSXAOPMNTART-HNNXBMFYSA-N 0 0 306.410 0.580 50 0 DCAARN CO[C@@H]1COCC[C@@H]1N1CCN(C(=O)c2c[nH]cc2C)CC1 ZINC000585087953 766275555 /nfs/dbraw/zinc/27/55/55/766275555.db2.gz DCKZIBIBEKKBGO-LSDHHAIUSA-N 0 0 307.394 0.885 50 0 DCAARN CCc1ccccc1S(=O)(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000585115208 766283923 /nfs/dbraw/zinc/28/39/23/766283923.db2.gz RCDZCQVAFJCDCO-OAHLLOKOSA-N 0 0 323.462 0.917 50 0 DCAARN CN(C)C[C@@H](CO)NS(=O)(=O)c1cnc2ccsc2c1 ZINC000585114887 766284169 /nfs/dbraw/zinc/28/41/69/766284169.db2.gz DGUZKSHFDQGBNG-VIFPVBQESA-N 0 0 315.420 0.497 50 0 DCAARN COC(=O)c1ccc(NC(=O)COC[C@@H]2CCCO2)c(=O)[nH]1 ZINC000585124657 766288081 /nfs/dbraw/zinc/28/80/81/766288081.db2.gz LJDWNNJTYZHZID-VIFPVBQESA-N 0 0 310.306 0.708 50 0 DCAARN Cc1nc(NC(=O)CN(C)S(C)(=O)=O)nn1-c1ccccc1 ZINC000585124386 766288363 /nfs/dbraw/zinc/28/83/63/766288363.db2.gz ATFGCMZESQFCEJ-UHFFFAOYSA-N 0 0 323.378 0.406 50 0 DCAARN NC(=O)Cc1nc([C@H]2CCCNC2=O)n(-c2ccccc2F)n1 ZINC000952860035 768920043 /nfs/dbraw/zinc/92/00/43/768920043.db2.gz APKNLVZMOGCPSM-SECBINFHSA-N 0 0 317.324 0.428 50 0 DCAARN CCN(CCn1cccn1)S(=O)(=O)N1CCC[C@@H]1COC ZINC000952872136 768934516 /nfs/dbraw/zinc/93/45/16/768934516.db2.gz KSPVVVVOEPILNU-CYBMUJFWSA-N 0 0 316.427 0.561 50 0 DCAARN O=C(NC1CC1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000952877055 768941965 /nfs/dbraw/zinc/94/19/65/768941965.db2.gz LESABJTXLCRTJH-LLVKDONJSA-N 0 0 318.782 0.258 50 0 DCAARN CCOC(=O)c1cnc(NCCn2ccc(=O)[nH]c2=O)nc1C ZINC000952881044 768948238 /nfs/dbraw/zinc/94/82/38/768948238.db2.gz DRGLMYXAMBADCG-UHFFFAOYSA-N 0 0 319.321 0.336 50 0 DCAARN CC[C@H](C)CS(=O)(=O)NCc1cn(C(C)C)c(=O)[nH]c1=O ZINC000952883897 768951705 /nfs/dbraw/zinc/95/17/05/768951705.db2.gz SUUYRYWXQJLIOX-JTQLQIEISA-N 0 0 317.411 0.995 50 0 DCAARN C[C@@H]1CCCC[C@@H]1CC(=O)NCCc1nnc2n1CCNC2=O ZINC000952884237 768952075 /nfs/dbraw/zinc/95/20/75/768952075.db2.gz WGJMQDLZZZHPTJ-VXGBXAGGSA-N 0 0 319.409 0.897 50 0 DCAARN CNc1nc(C(N)=O)c(NC(=O)c2ccnc(OC)c2)s1 ZINC001529119232 1014499508 /nfs/dbraw/zinc/49/95/08/1014499508.db2.gz FDLYCRJJTNKBGQ-UHFFFAOYSA-N 0 0 307.335 0.940 50 0 DCAARN Cn1ccnc1CC[NH+]1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C ZINC001529151972 1014507659 /nfs/dbraw/zinc/50/76/59/1014507659.db2.gz IESGXJWHWVRXLN-GFCCVEGCSA-N 0 0 320.393 0.360 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)Cn2nc3ccccc3n2)cn1 ZINC001529187504 1014517173 /nfs/dbraw/zinc/51/71/73/1014517173.db2.gz UHYSFWHQPBJDBL-UHFFFAOYSA-N 0 0 313.321 0.013 50 0 DCAARN COCCn1ccnc1CN1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001529189651 1014518088 /nfs/dbraw/zinc/51/80/88/1014518088.db2.gz SUEVAZYOPGLTOO-UKRRQHHQSA-N 0 0 317.393 0.355 50 0 DCAARN COCCn1cnnc1CN(C)C(=O)CCc1[nH]nc(C)c1C ZINC001506398256 1017252014 /nfs/dbraw/zinc/25/20/14/1017252014.db2.gz XVGDCJHXIYTOSU-UHFFFAOYSA-N 0 0 320.397 0.856 50 0 DCAARN CCc1noc(CN(CC)CCn2c(=O)cc(C)[nH]c2=O)n1 ZINC001506395368 1017253707 /nfs/dbraw/zinc/25/37/07/1017253707.db2.gz GMODHEZRPVRSGS-UHFFFAOYSA-N 0 0 307.354 0.725 50 0 DCAARN CCn1cncc1CNS(=O)(=O)N1CCC[C@@H](COC)C1 ZINC001506403079 1017254565 /nfs/dbraw/zinc/25/45/65/1017254565.db2.gz VIZQOPGLNFKAFA-GFCCVEGCSA-N 0 0 316.427 0.596 50 0 DCAARN Nc1nc2nc[nH]c2c(N2CCCN(C(=O)C3CCC3)CC2)n1 ZINC001506404390 1017256640 /nfs/dbraw/zinc/25/66/40/1017256640.db2.gz TZDAVWOCQBVMQG-UHFFFAOYSA-N 0 0 315.381 0.774 50 0 DCAARN CN1C[C@H](CNc2cc(N3CCCCC3)ncn2)OCC1=O ZINC001506427547 1017268765 /nfs/dbraw/zinc/26/87/65/1017268765.db2.gz KQFWTKMHEXVVRX-LBPRGKRZSA-N 0 0 305.382 0.736 50 0 DCAARN COC[C@@H]1CCCN(S(=O)(=O)N(C)Cc2nc(C)c[nH]2)C1 ZINC001506414166 1017263177 /nfs/dbraw/zinc/26/31/77/1017263177.db2.gz OWUQLOKIJURSCW-GFCCVEGCSA-N 0 0 316.427 0.753 50 0 DCAARN NS(=O)(=O)c1ccc(CNC(=O)c2n[nH]c3c2CCC3)cc1 ZINC000074643168 185005383 /nfs/dbraw/zinc/00/53/83/185005383.db2.gz RKTPBKQLBNKNHU-UHFFFAOYSA-N 0 0 320.374 0.476 50 0 DCAARN CN(C[C@@H]1COCCO1)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000095499549 185374584 /nfs/dbraw/zinc/37/45/84/185374584.db2.gz RLDFPAVZMJOMFO-LLVKDONJSA-N 0 0 305.334 0.203 50 0 DCAARN Cc1csc(S(=O)(=O)CC(=O)N2C[C@@H](C)O[C@H](C)C2)n1 ZINC000076926150 185056043 /nfs/dbraw/zinc/05/60/43/185056043.db2.gz RFSGEZLJRXRRPV-NXEZZACHSA-N 0 0 318.420 0.861 50 0 DCAARN NC(=O)c1cccnc1N1CCN(C(=O)C2CC=CC2)CC1 ZINC000076966145 185062540 /nfs/dbraw/zinc/06/25/40/185062540.db2.gz PGGVJQRDKXMWDD-UHFFFAOYSA-N 0 0 300.362 0.795 50 0 DCAARN CCc1nc(CN(C)C(=O)CN2C(=O)OC(C)(C)C2=O)no1 ZINC000095527141 185378045 /nfs/dbraw/zinc/37/80/45/185378045.db2.gz QMKPGCRIFIXMFM-UHFFFAOYSA-N 0 0 310.310 0.348 50 0 DCAARN NC(=O)c1cc([C@H]2CCCN(CC(=O)N3CCCC3)C2)n[nH]1 ZINC000078900773 185125327 /nfs/dbraw/zinc/12/53/27/185125327.db2.gz CVZJZRYUAOSLGM-NSHDSACASA-N 0 0 305.382 0.310 50 0 DCAARN COC(=O)[C@@]1(NC(=O)c2nc(C)n3c2CCCC3)CCOC1 ZINC000088328339 185246108 /nfs/dbraw/zinc/24/61/08/185246108.db2.gz LQEBKBWGOLWDDA-OAHLLOKOSA-N 0 0 307.350 0.590 50 0 DCAARN CCOC(=O)C1=C2C(=O)N(Cc3ccccc3)C(=O)C2NN1 ZINC000096930566 185392443 /nfs/dbraw/zinc/39/24/43/185392443.db2.gz PXMBNSUKLTVWHM-MNOVXSKESA-N 0 0 301.302 0.063 50 0 DCAARN CC[C@@]1(C(C)C)NC(=O)N(CCCNS(=O)(=O)CC)C1=O ZINC000089948076 185270733 /nfs/dbraw/zinc/27/07/33/185270733.db2.gz ZDUIMXWGXPATAI-ZDUSSCGKSA-N 0 0 319.427 0.672 50 0 DCAARN CCCN(C[C@H]1COc2ccccc2O1)C(=O)[C@H]1CNC(=O)N1 ZINC000089958878 185271782 /nfs/dbraw/zinc/27/17/82/185271782.db2.gz LKSLKQLFIFPFAS-NWDGAFQWSA-N 0 0 319.361 0.746 50 0 DCAARN O=C(COc1ccc(-n2cccn2)nn1)NCc1cccnc1 ZINC000090607730 185306274 /nfs/dbraw/zinc/30/62/74/185306274.db2.gz FDBQMJIUSOFOQD-UHFFFAOYSA-N 0 0 310.317 0.753 50 0 DCAARN COc1nn(C)cc1C(=O)NC[C@@H](O)c1ccc(N(C)C)cc1 ZINC000090611675 185306578 /nfs/dbraw/zinc/30/65/78/185306578.db2.gz WINWGYFUUXVNQL-CQSZACIVSA-N 0 0 318.377 0.958 50 0 DCAARN O=C([C@@H]1CNCC(=O)N1)N1CC(Oc2ccccc2Cl)C1 ZINC000095390571 185351545 /nfs/dbraw/zinc/35/15/45/185351545.db2.gz SRDIVRHRKREWSN-NSHDSACASA-N 0 0 309.753 0.018 50 0 DCAARN CC(=O)N1CCOC[C@@H]1C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000095440938 185366135 /nfs/dbraw/zinc/36/61/35/185366135.db2.gz WWHAOSXDHQJDHS-ZIAGYGMSSA-N 0 0 304.346 0.354 50 0 DCAARN Cc1c(C(=O)NN2CC(=O)N(C)C2=O)cnn1-c1ccccn1 ZINC000095456618 185370080 /nfs/dbraw/zinc/37/00/80/185370080.db2.gz FSDXMTRTCFIWHB-UHFFFAOYSA-N 0 0 314.305 0.115 50 0 DCAARN CC(CO)(CO)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000097082697 185407241 /nfs/dbraw/zinc/40/72/41/185407241.db2.gz UQWKCZOISPKUAT-UHFFFAOYSA-N 0 0 314.748 0.893 50 0 DCAARN CC(C)NC(=O)CNC(=O)c1nc2ccccc2c(=O)n1C ZINC000032124102 190657932 /nfs/dbraw/zinc/65/79/32/190657932.db2.gz AUIJVVUCVYFJHR-UHFFFAOYSA-N 0 0 302.334 0.188 50 0 biogenic DCAARN CN(Cc1cc(C(=O)NC[C@@H](O)CO)no1)Cc1ccccc1 ZINC000067642332 190711975 /nfs/dbraw/zinc/71/19/75/190711975.db2.gz XMSFFFRDQWUPGK-CYBMUJFWSA-N 0 0 319.361 0.390 50 0 DCAARN Cc1nc(=O)[nH]c(C)c1CCC(=O)N[C@H](C)c1cnn(C)c1 ZINC000067770231 190720014 /nfs/dbraw/zinc/72/00/14/190720014.db2.gz WHAJYUNQTDRPCB-SECBINFHSA-N 0 0 303.366 0.930 50 0 DCAARN O=C(NCCc1c[nH]c(=O)[nH]c1=O)c1scc2c1CCCC2 ZINC000067772293 190720414 /nfs/dbraw/zinc/72/04/14/190720414.db2.gz PDASKBWSEMPBFG-UHFFFAOYSA-N 0 0 319.386 0.976 50 0 DCAARN CC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(=O)c(Cl)c2)C1 ZINC000067773586 190721407 /nfs/dbraw/zinc/72/14/07/190721407.db2.gz QICPGNYPPZKBRC-SNVBAGLBSA-N 0 0 313.741 0.005 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)NC(=O)C[C@H]2c1cccc(O)c1 ZINC000008594207 282557032 /nfs/dbraw/zinc/55/70/32/282557032.db2.gz YOUWOMCHLIDUAC-JTQLQIEISA-N 0 0 301.302 0.913 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)CCCNc2ncccn2)CC1 ZINC000069895720 190835394 /nfs/dbraw/zinc/83/53/94/190835394.db2.gz YSKQGLWSVTYEHJ-AWEZNQCLSA-N 0 0 321.425 0.584 50 0 DCAARN Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N3CCCC3)n2)n1 ZINC000070874532 190921337 /nfs/dbraw/zinc/92/13/37/190921337.db2.gz JCIBZWLSABPXAE-UHFFFAOYSA-N 0 0 301.350 0.668 50 0 DCAARN CN1C(=O)C[C@@H](C(=O)N2CCc3nc[nH]c(=O)c3C2)C1(C)C ZINC000299782284 282629159 /nfs/dbraw/zinc/62/91/59/282629159.db2.gz IWRBPBJNEWYUDS-JTQLQIEISA-N 0 0 304.350 0.324 50 0 DCAARN COC(=O)C[C@H](C)NC(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000071853846 191032105 /nfs/dbraw/zinc/03/21/05/191032105.db2.gz QZZLCHFUIKQRSX-NSHDSACASA-N 0 0 317.349 0.716 50 0 DCAARN CC(C)CN1CCN(CC(=O)NCc2ccccn2)[C@@H](C)C1=O ZINC000072121755 191039706 /nfs/dbraw/zinc/03/97/06/191039706.db2.gz GBEKJLUHRFDJOM-AWEZNQCLSA-N 0 0 318.421 0.887 50 0 DCAARN Cc1cc(F)ccc1CC(=O)N1CCNC[C@H]1C(=O)NC1CC1 ZINC000072120895 191040385 /nfs/dbraw/zinc/04/03/85/191040385.db2.gz OFMDLOCSTUKEGJ-HNNXBMFYSA-N 0 0 319.380 0.756 50 0 DCAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)NC1CC1 ZINC000072133548 191044510 /nfs/dbraw/zinc/04/45/10/191044510.db2.gz NUIFYDYRWOLGLO-AWEZNQCLSA-N 0 0 323.343 0.934 50 0 DCAARN CCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1OC ZINC000072134597 191046436 /nfs/dbraw/zinc/04/64/36/191046436.db2.gz OHDNILVKDBUVEI-ZDUSSCGKSA-N 0 0 305.378 0.522 50 0 DCAARN COc1ccc(CCC(=O)N2CCC[C@](O)(CO)C2)cc1OC ZINC000072145402 191051111 /nfs/dbraw/zinc/05/11/11/191051111.db2.gz AVKFYKMCHWQUBM-QGZVFWFLSA-N 0 0 323.389 0.982 50 0 DCAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)C)cc1C ZINC000072144730 191052166 /nfs/dbraw/zinc/05/21/66/191052166.db2.gz DWTXXQUTZGXOCF-AWEZNQCLSA-N 0 0 319.405 0.782 50 0 DCAARN Cc1ncc(C(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)c(=O)[nH]1 ZINC000072154249 191058513 /nfs/dbraw/zinc/05/85/13/191058513.db2.gz RPXKKRIFCIPZCR-AWEZNQCLSA-N 0 0 306.322 0.135 50 0 DCAARN CCCn1nccc1C(=O)N1CCc2c(nc(N)[nH]c2=O)C1 ZINC000072156564 191059527 /nfs/dbraw/zinc/05/95/27/191059527.db2.gz SGOFONBYRFMFRQ-UHFFFAOYSA-N 0 0 302.338 0.157 50 0 DCAARN O=C(c1cn(C2CCCCC2)nn1)N1CCS(=O)(=O)CC1 ZINC000072167221 191066087 /nfs/dbraw/zinc/06/60/87/191066087.db2.gz HVAFBAXDNQEMHX-UHFFFAOYSA-N 0 0 312.395 0.654 50 0 DCAARN COC(=O)c1ccccc1NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000072220555 191077680 /nfs/dbraw/zinc/07/76/80/191077680.db2.gz PMEUYBBLUKWLBA-VIFPVBQESA-N 0 0 312.347 0.782 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)c2ccc(N(C)C)nn2)CC1 ZINC000072269898 191093083 /nfs/dbraw/zinc/09/30/83/191093083.db2.gz JZIIBWUZDBBJDW-GFCCVEGCSA-N 0 0 307.398 0.071 50 0 DCAARN Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)o1)C2 ZINC000072281604 191101668 /nfs/dbraw/zinc/10/16/68/191101668.db2.gz UINYCSWRTZIMPZ-SNVBAGLBSA-N 0 0 323.374 0.933 50 0 DCAARN CS(=O)(=O)CCS(=O)(=O)NCc1ccc(Cl)cc1 ZINC000072296303 191112085 /nfs/dbraw/zinc/11/20/85/191112085.db2.gz KEEFVBYXKUXGJY-UHFFFAOYSA-N 0 0 311.812 0.804 50 0 DCAARN O=C(c1ccco1)N1CC(n2cc(CN3CCCC3=O)nn2)C1 ZINC000225630017 186285254 /nfs/dbraw/zinc/28/52/54/186285254.db2.gz XYDPUSYFXROBHB-UHFFFAOYSA-N 0 0 315.333 0.691 50 0 DCAARN Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H]1NCCc2nc[nH]c21 ZINC000072410143 191154397 /nfs/dbraw/zinc/15/43/97/191154397.db2.gz XJUOEHKOFRDDOK-CQSZACIVSA-N 0 0 302.382 0.638 50 0 DCAARN Cc1ccn(-c2cc(NCCNC(=O)c3cnccn3)ncn2)n1 ZINC000072442323 191167211 /nfs/dbraw/zinc/16/72/11/191167211.db2.gz WKBUHSWASWENCI-UHFFFAOYSA-N 0 0 324.348 0.603 50 0 DCAARN CC[C@@]1(O)CCN(C(=O)c2ccc(Cn3cccn3)o2)C[C@H]1O ZINC000072472940 191176241 /nfs/dbraw/zinc/17/62/41/191176241.db2.gz UISBXILFMFVKLF-GDBMZVCRSA-N 0 0 319.361 0.872 50 0 DCAARN CC1=NO[C@@H](C(=O)NCc2cc(N3CCOCC3)ncn2)C1 ZINC000072474418 191176935 /nfs/dbraw/zinc/17/69/35/191176935.db2.gz YIRLWMFHLRLZAX-GFCCVEGCSA-N 0 0 305.338 0.094 50 0 DCAARN Cc1[nH]c2ccc(C)cc2c1CCNC(=O)c1c(N)no[n+]1[O-] ZINC000001430233 180865929 /nfs/dbraw/zinc/86/59/29/180865929.db2.gz GBTNTIKFQCGDTB-UHFFFAOYSA-N 0 0 315.333 0.961 50 0 DCAARN NC(=[NH2+])NCCC[C@@H](NC(=S)Nc1ccccc1)C(=O)[O-] ZINC000002290400 180918322 /nfs/dbraw/zinc/91/83/22/180918322.db2.gz BDVWKLYXHUUZSI-SNVBAGLBSA-N 0 0 309.395 0.689 50 0 DCAARN COC(=O)CCNC(=O)Cc1cc(OC)c(OC)c(OC)c1 ZINC000003367722 181012083 /nfs/dbraw/zinc/01/20/83/181012083.db2.gz DQDUQAXBGCNESG-UHFFFAOYSA-N 0 0 311.334 0.934 50 0 DCAARN CCCCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)on2)C1=O ZINC000003371677 181012283 /nfs/dbraw/zinc/01/22/83/181012283.db2.gz WMYHNOVRRNCEGF-UHFFFAOYSA-N 0 0 308.294 0.512 50 0 DCAARN CC(=O)c1ccc(NC(=O)CSc2nncc(=O)n2N)cc1 ZINC000004338159 181100318 /nfs/dbraw/zinc/10/03/18/181100318.db2.gz NJRBMFJFZOTDKH-UHFFFAOYSA-N 0 0 319.346 0.286 50 0 DCAARN COc1ccc(CNC(=O)COC(=O)C2=NNC(=O)CC2)cc1 ZINC000004349401 181101310 /nfs/dbraw/zinc/10/13/10/181101310.db2.gz WZJBTXHRNUMWKX-UHFFFAOYSA-N 0 0 319.317 0.121 50 0 DCAARN CCCNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000004515250 181118243 /nfs/dbraw/zinc/11/82/43/181118243.db2.gz RTJYWGPGWKYVFQ-MEBBXXQBSA-N 0 0 324.381 0.723 50 0 DCAARN Nc1nonc1C(=O)NCCNC(=O)c1cccc(Cl)c1 ZINC000004516976 181119074 /nfs/dbraw/zinc/11/90/74/181119074.db2.gz ZYWMNLWMTBBOLE-UHFFFAOYSA-N 0 0 309.713 0.465 50 0 DCAARN CCOCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000004740556 181145557 /nfs/dbraw/zinc/14/55/57/181145557.db2.gz BNBUXDSJYMIEDY-UHFFFAOYSA-N 0 0 300.380 0.419 50 0 DCAARN COc1ccccc1O[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000004755856 181149135 /nfs/dbraw/zinc/14/91/35/181149135.db2.gz JPTZUPQZBMEEBB-QWRGUYRKSA-N 0 0 313.375 0.766 50 0 DCAARN O=C(Cn1nnc(-c2ccccc2Cl)n1)N1CCNC1=O ZINC000004763420 181149697 /nfs/dbraw/zinc/14/96/97/181149697.db2.gz KBTIZBNUGKRGNQ-UHFFFAOYSA-N 0 0 306.713 0.545 50 0 DCAARN Nn1cnn2c(SCC(=O)NCCc3ccccc3)nnc12 ZINC000004775923 181150707 /nfs/dbraw/zinc/15/07/07/181150707.db2.gz MCYMLYWIIVVSBT-UHFFFAOYSA-N 0 0 317.378 0.091 50 0 DCAARN O=C(c1ccc(Cn2cccn2)cc1)N1CCN(CCO)CC1 ZINC000075572209 191493971 /nfs/dbraw/zinc/49/39/71/191493971.db2.gz RILTVVTVCWMYRT-UHFFFAOYSA-N 0 0 314.389 0.682 50 0 DCAARN O=C(N[C@H]1CCc2ccccc2C1)N1CCS(=O)(=O)CC1 ZINC000279052206 295903683 /nfs/dbraw/zinc/90/36/83/295903683.db2.gz KFLAABARGRSHRF-AWEZNQCLSA-N 0 0 308.403 0.984 50 0 DCAARN O=C(N[C@@H]1CCN(c2ncccc2F)C[C@H]1O)c1cnccn1 ZINC000077378426 191703741 /nfs/dbraw/zinc/70/37/41/191703741.db2.gz ALCGQWBQNDOQEM-DGCLKSJQSA-N 0 0 317.324 0.380 50 0 DCAARN COCCC[C@@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000077472064 191720494 /nfs/dbraw/zinc/72/04/94/191720494.db2.gz IGZWAJFHKLUMKU-LBPRGKRZSA-N 0 0 309.366 0.344 50 0 DCAARN O=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)N1CCOCC1 ZINC000005155050 181211323 /nfs/dbraw/zinc/21/13/23/181211323.db2.gz LGSSKMMBYNLBGX-UHFFFAOYSA-N 0 0 323.296 0.740 50 0 DCAARN CCOC(=O)CCC(=O)NCc1n[nH]c(=O)c2ccccc12 ZINC000005313231 181228681 /nfs/dbraw/zinc/22/86/81/181228681.db2.gz JADNJPCNJSZFTA-UHFFFAOYSA-N 0 0 303.318 0.883 50 0 DCAARN COc1ccc(N2CCCS2(=O)=O)cc1NS(C)(=O)=O ZINC000005328963 181230248 /nfs/dbraw/zinc/23/02/48/181230248.db2.gz AGCRICRMJVWPPE-UHFFFAOYSA-N 0 0 320.392 0.607 50 0 DCAARN NC(=O)NC(=O)COC(=O)c1ccccc1Br ZINC000005691487 181273519 /nfs/dbraw/zinc/27/35/19/181273519.db2.gz CIOWUVNNCZEQFE-UHFFFAOYSA-N 0 0 301.096 0.801 50 0 DCAARN CN1C[C@@H](C(=O)NCC2(N3CCOCC3)CCCCC2)CC1=O ZINC000046143604 283189901 /nfs/dbraw/zinc/18/99/01/283189901.db2.gz NLGIDRKJJAORNY-AWEZNQCLSA-N 0 0 323.437 0.616 50 0 DCAARN NC(=O)CN(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1CCCC1 ZINC000052844054 283286657 /nfs/dbraw/zinc/28/66/57/283286657.db2.gz SKTHJXBIQROTIS-GJZGRUSLSA-N 0 0 323.437 0.886 50 0 DCAARN O=C([C@H]1COCCN1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000237819272 202362176 /nfs/dbraw/zinc/36/21/76/202362176.db2.gz XQRFVIGMBSFKAR-CYBMUJFWSA-N 0 0 311.332 0.602 50 0 DCAARN COC[C@@H](C)NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000006047207 181307939 /nfs/dbraw/zinc/30/79/39/181307939.db2.gz CDCVCODNWTVCFZ-LOIXOFCESA-N 0 0 311.382 0.638 50 0 DCAARN CCn1nc(CO)c2c1CCN(CC(=O)NC[C@@H]1CCCO1)C2 ZINC000244874458 202505123 /nfs/dbraw/zinc/50/51/23/202505123.db2.gz XBPAHZWXLZZYMH-LBPRGKRZSA-N 0 0 322.409 0.049 50 0 DCAARN NC(=O)[C@H]1CC[C@H]1C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000408524448 239273797 /nfs/dbraw/zinc/27/37/97/239273797.db2.gz DEZMOAAHTONHGI-NWDGAFQWSA-N 0 0 307.325 0.183 50 0 DCAARN Cc1cc(=O)c(OCC(=O)NCc2nnc3ccccn32)co1 ZINC000409414474 239277061 /nfs/dbraw/zinc/27/70/61/239277061.db2.gz RLGDVJFSGDBBOV-UHFFFAOYSA-N 0 0 314.301 0.686 50 0 DCAARN Nc1n[nH]c(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000006605828 181360044 /nfs/dbraw/zinc/36/00/44/181360044.db2.gz IWGNZIYSBVMUOL-UHFFFAOYSA-N 0 0 307.335 0.889 50 0 DCAARN Cn1c(=O)cc(CNC(=O)c2c(F)cccc2F)n(C)c1=O ZINC000006669498 181367834 /nfs/dbraw/zinc/36/78/34/181367834.db2.gz XOBUNSHKRGRUBY-UHFFFAOYSA-N 0 0 309.272 0.292 50 0 DCAARN Cn1c2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2oc1=O ZINC000006670255 181368689 /nfs/dbraw/zinc/36/86/89/181368689.db2.gz NNFZFBVMRLLXEG-VIFPVBQESA-N 0 0 312.347 0.589 50 0 DCAARN CCOC(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)CC1 ZINC000006746529 181381607 /nfs/dbraw/zinc/38/16/07/181381607.db2.gz RASGOKZZIQLSRQ-LLVKDONJSA-N 0 0 323.349 0.699 50 0 DCAARN CCC[C@@]1(CO)CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1 ZINC000091289433 193031239 /nfs/dbraw/zinc/03/12/39/193031239.db2.gz SSSHCZLJNCYUOJ-MRXNPFEDSA-N 0 0 323.393 0.328 50 0 DCAARN O=C(c1c[nH]nc1-c1ccccc1)N1CCS(=O)(=O)CC1 ZINC000091350561 193045239 /nfs/dbraw/zinc/04/52/39/193045239.db2.gz KFVVLAGFRPDJOK-UHFFFAOYSA-N 0 0 305.359 0.947 50 0 DCAARN COCCN1CCC[C@]2(CCN(C(=O)c3ccn(C)n3)C2)C1=O ZINC000091409850 193051653 /nfs/dbraw/zinc/05/16/53/193051653.db2.gz WWEZWKORQKGFRW-MRXNPFEDSA-N 0 0 320.393 0.521 50 0 DCAARN O=C([O-])[C@H]1CC(=O)NC12CC[NH+](CCCn1cccn1)CC2 ZINC000091411465 193052019 /nfs/dbraw/zinc/05/20/19/193052019.db2.gz ARNOVCNIQSYJIS-GFCCVEGCSA-N 0 0 306.366 0.329 50 0 DCAARN O=C(CO)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091440174 193056304 /nfs/dbraw/zinc/05/63/04/193056304.db2.gz UZTBSAARIMYLCD-UHFFFAOYSA-N 0 0 317.389 0.805 50 0 DCAARN Nc1nccc(N2CCC3(CCC(=O)N(CCCO)C3)CC2)n1 ZINC000091616543 193079776 /nfs/dbraw/zinc/07/97/76/193079776.db2.gz IJWXREDHWFOXQJ-UHFFFAOYSA-N 0 0 319.409 0.650 50 0 DCAARN O=C(NCCc1c[nH]cn1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000091518837 193068295 /nfs/dbraw/zinc/06/82/95/193068295.db2.gz NKKXNHMLDLVDEW-CYBMUJFWSA-N 0 0 313.361 0.512 50 0 DCAARN CC[C@@H](C(=O)N1CCc2cc(C(N)=O)n(C)c2C1)n1cccn1 ZINC000091548400 193071577 /nfs/dbraw/zinc/07/15/77/193071577.db2.gz XXEKOQSULWUYJB-LBPRGKRZSA-N 0 0 315.377 0.857 50 0 DCAARN COc1ccc(-c2cc(C(=O)NCc3nc(N)n[nH]3)[nH]n2)cc1 ZINC000091593893 193076069 /nfs/dbraw/zinc/07/60/69/193076069.db2.gz SPOQEJDAKXXTMT-UHFFFAOYSA-N 0 0 313.321 0.716 50 0 DCAARN O=C(c1cc[nH]n1)N1CCC2(CCC(=O)N(CCCO)C2)CC1 ZINC000091594646 193077632 /nfs/dbraw/zinc/07/76/32/193077632.db2.gz QOSFIJVTJWYSIG-UHFFFAOYSA-N 0 0 320.393 0.637 50 0 DCAARN O=C(c1ccc(S(=O)(=O)N[C@@H]2CCOC2)cc1)N1CCCC1 ZINC000091645930 193085369 /nfs/dbraw/zinc/08/53/69/193085369.db2.gz VQPQPIWFVBBXBN-CYBMUJFWSA-N 0 0 324.402 0.990 50 0 DCAARN Cc1nc(N)nc(C)c1CC(=O)N1C[C@@H](C)[C@](O)(C2CC2)C1 ZINC000091793389 193108970 /nfs/dbraw/zinc/10/89/70/193108970.db2.gz KARZSYRPJKYDJI-ABKXIKBNSA-N 0 0 304.394 0.838 50 0 DCAARN COc1ccc2c(c1)OC[C@@H](CNC(=O)CCNC(C)=O)C2 ZINC000091793784 193109161 /nfs/dbraw/zinc/10/91/61/193109161.db2.gz QDJQLISUHBCHIY-GFCCVEGCSA-N 0 0 306.362 0.889 50 0 DCAARN CCN1C[C@H](C(=O)N2CCCN(c3ncccn3)CC2)CC1=O ZINC000091808248 193110845 /nfs/dbraw/zinc/11/08/45/193110845.db2.gz WACMDSUMATVOEG-CYBMUJFWSA-N 0 0 317.393 0.384 50 0 DCAARN Cc1nc(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@]3(C(=O)[O-])C2)c(C)o1 ZINC000091907934 193124610 /nfs/dbraw/zinc/12/46/10/193124610.db2.gz PTCIFDUZTSPULI-NHYWBVRUSA-N 0 0 307.350 0.770 50 0 DCAARN Cc1nnnn1CC(=O)N1CC[C@@]2(C1)CCCN(C(C)C)C2=O ZINC000091986559 193137143 /nfs/dbraw/zinc/13/71/43/193137143.db2.gz OWVJALBVSGLQTB-OAHLLOKOSA-N 0 0 320.397 0.231 50 0 DCAARN COC[C@H](c1ccccn1)N(C)C(=O)c1cnc(C)[nH]c1=O ZINC000092001878 193139488 /nfs/dbraw/zinc/13/94/88/193139488.db2.gz ISEHLPVEYXMAJQ-CYBMUJFWSA-N 0 0 302.334 0.933 50 0 DCAARN COc1cc2c(cc1CN1CCN(C(C)=O)C[C@H](O)C1)OCO2 ZINC000092078016 193153507 /nfs/dbraw/zinc/15/35/07/193153507.db2.gz NXXHBDDCNBQQCZ-CYBMUJFWSA-N 0 0 322.361 0.449 50 0 DCAARN Cn1ccnc1C(=O)NC[C@H](c1ccccn1)N1CCOCC1 ZINC000215305131 201458135 /nfs/dbraw/zinc/45/81/35/201458135.db2.gz KDKQVQYGVFCGTO-CQSZACIVSA-N 0 0 315.377 0.618 50 0 DCAARN Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)Cc1c[nH]c(=O)n(C)c1=O ZINC000215378158 201458196 /nfs/dbraw/zinc/45/81/96/201458196.db2.gz YVUKSBNKKYFFEE-SNVBAGLBSA-N 0 0 319.365 0.176 50 0 DCAARN COCCN1C[C@@H](CNC(=O)CCn2ccc(C)n2)CC1=O ZINC000221239852 201583819 /nfs/dbraw/zinc/58/38/19/201583819.db2.gz GXPBLWGWUXRYHU-CYBMUJFWSA-N 0 0 308.382 0.193 50 0 DCAARN CC(C)Cc1cc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)nc(N)n1 ZINC000221218110 201584013 /nfs/dbraw/zinc/58/40/13/201584013.db2.gz CUPHCBVOLZCCBX-LBPRGKRZSA-N 0 0 319.409 0.996 50 0 DCAARN Cn1cncc1C(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 ZINC000223692119 201653833 /nfs/dbraw/zinc/65/38/33/201653833.db2.gz ISOFXFHABOTILI-DGCLKSJQSA-N 0 0 322.390 0.981 50 0 DCAARN CCc1c(C(=O)CN2CCOC[C@H]2C(N)=O)[nH]c(C)c1C(C)=O ZINC000092228891 193176806 /nfs/dbraw/zinc/17/68/06/193176806.db2.gz DECDSQMTPDWCKN-LBPRGKRZSA-N 0 0 321.377 0.457 50 0 DCAARN C[C@]12CCC(=O)N1[C@H](C(=O)N[C@@H]1CCc3nccn3C1)CS2 ZINC000097197769 291439332 /nfs/dbraw/zinc/43/93/32/291439332.db2.gz SOGIEMALIOTPKM-ZETOZRRWSA-N 0 0 320.418 0.768 50 0 DCAARN COC(=O)CNC(=O)CN1C(=O)CC(C)(C)c2ccccc21 ZINC000096101192 193537445 /nfs/dbraw/zinc/53/74/45/193537445.db2.gz LJQSFDNBQVKGMU-UHFFFAOYSA-N 0 0 304.346 0.990 50 0 DCAARN Cn1cc(S(=O)(=O)N2CCC3(CC2)OCCS3)cn1 ZINC000096120483 193545789 /nfs/dbraw/zinc/54/57/89/193545789.db2.gz DCIDACPLEVWYSC-UHFFFAOYSA-N 0 0 303.409 0.664 50 0 DCAARN C[C@@]1(O)CCN(C(=O)c2cccc(N3CCOCC3)c2)C[C@@H]1O ZINC000096138146 193549413 /nfs/dbraw/zinc/54/94/13/193549413.db2.gz CGCWAGDVDXPICC-DOTOQJQBSA-N 0 0 320.389 0.481 50 0 DCAARN CCCc1nnc(NC(=O)CCNC(=O)c2ccnn2C)s1 ZINC000096192359 193571261 /nfs/dbraw/zinc/57/12/61/193571261.db2.gz ILKQLTGYCKPSAE-UHFFFAOYSA-N 0 0 322.394 0.983 50 0 DCAARN Nc1nccc(N2C[C@H]3C[N@H+](CC4CCC4)C[C@@]3(C(=O)[O-])C2)n1 ZINC000096153439 193554386 /nfs/dbraw/zinc/55/43/86/193554386.db2.gz PMRPIWLNVYHKRS-MLGOLLRUSA-N 0 0 317.393 0.682 50 0 DCAARN Cc1nn(C)c(C)c1C(=O)OCc1nc(N)nc(N(C)C)n1 ZINC000009114459 181602009 /nfs/dbraw/zinc/60/20/09/181602009.db2.gz BTBOYWLZBKMOCV-UHFFFAOYSA-N 0 0 305.342 0.227 50 0 DCAARN O=C(COC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccon1 ZINC000011683372 181698578 /nfs/dbraw/zinc/69/85/78/181698578.db2.gz VALTULNATAZNAN-UHFFFAOYSA-N 0 0 314.261 0.446 50 0 DCAARN CC(=O)Nc1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 ZINC000012821973 181802004 /nfs/dbraw/zinc/80/20/04/181802004.db2.gz SQZNJYDDPWPFBF-UHFFFAOYSA-N 0 0 302.290 0.134 50 0 DCAARN CCn1nnc2c1ncn(CC(=O)NC1CCCCC1)c2=O ZINC000013531486 181858451 /nfs/dbraw/zinc/85/84/51/181858451.db2.gz JKVHXMXIGBQQAZ-UHFFFAOYSA-N 0 0 304.354 0.457 50 0 DCAARN C[C@@H]1C[C@H](C)CN(C(=O)Cn2nnn(-c3cccs3)c2=O)C1 ZINC000014022561 181920856 /nfs/dbraw/zinc/92/08/56/181920856.db2.gz XBLUQGPPKLDTID-PHIMTYICSA-N 0 0 321.406 0.995 50 0 DCAARN CCN1CCN(C(=O)NCc2noc3c2CCCC3)CC1=O ZINC000288258594 220047669 /nfs/dbraw/zinc/04/76/69/220047669.db2.gz VWFHCTMSCAPZPT-UHFFFAOYSA-N 0 0 306.366 0.927 50 0 DCAARN COC(=O)CNC(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000015829540 182019087 /nfs/dbraw/zinc/01/90/87/182019087.db2.gz SIMQSAMIGBQJCR-UHFFFAOYSA-N 0 0 315.285 0.432 50 0 DCAARN COc1ccccc1CNC(=O)CSc1nc(N)cc(=O)[nH]1 ZINC000015910250 182023845 /nfs/dbraw/zinc/02/38/45/182023845.db2.gz XILLDJFNMISBBM-UHFFFAOYSA-N 0 0 320.374 0.769 50 0 DCAARN CN(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1 ZINC000016186732 182036539 /nfs/dbraw/zinc/03/65/39/182036539.db2.gz DOVXCLRAMKJIAQ-UHFFFAOYSA-N 0 0 307.169 0.555 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000017635818 182084716 /nfs/dbraw/zinc/08/47/16/182084716.db2.gz FJGNZINJINKVNS-ZDUSSCGKSA-N 0 0 322.386 0.952 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(=O)[nH]c2ccccc21 ZINC000017636430 182085307 /nfs/dbraw/zinc/08/53/07/182085307.db2.gz RNJVLRSRZGTBIR-SECBINFHSA-N 0 0 306.343 0.445 50 0 DCAARN Cn1c([C@H](O)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000017299786 182081434 /nfs/dbraw/zinc/08/14/34/182081434.db2.gz VVNNNEKIHIGAJU-LLVKDONJSA-N 0 0 300.318 0.052 50 0 DCAARN CN1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000019589712 182132571 /nfs/dbraw/zinc/13/25/71/182132571.db2.gz VNGAJCJTZNURTN-UHFFFAOYSA-N 0 0 301.346 0.447 50 0 DCAARN OCCN1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000019771016 182145414 /nfs/dbraw/zinc/14/54/14/182145414.db2.gz IXPPKJUKFVCFSX-CQSZACIVSA-N 0 0 314.813 0.690 50 0 DCAARN O=CN1CCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000019782488 182148563 /nfs/dbraw/zinc/14/85/63/182148563.db2.gz RZONVMDGTQJSOE-CYBMUJFWSA-N 0 0 321.764 0.746 50 0 DCAARN Cc1ccc(NC(=O)C(=O)NCCN2CCOCC2)c(C)c1 ZINC000019792839 182150342 /nfs/dbraw/zinc/15/03/42/182150342.db2.gz CNPOGGSTUQFMKE-UHFFFAOYSA-N 0 0 305.378 0.690 50 0 DCAARN CN(C)c1ccc(NC(=O)CN2CCN(CCO)CC2)cc1 ZINC000019801766 182151982 /nfs/dbraw/zinc/15/19/82/182151982.db2.gz BEJZNZMNWLHEKL-UHFFFAOYSA-N 0 0 306.410 0.301 50 0 DCAARN O=C(NCCC1=CCCCC1)C(=O)NCCN1CCOCC1 ZINC000019831244 182153944 /nfs/dbraw/zinc/15/39/44/182153944.db2.gz TXMXHIGAGJXYJH-UHFFFAOYSA-N 0 0 309.410 0.442 50 0 DCAARN Cc1nn(CC(=O)N2CCN(C)CC2)c(=O)c2ccccc12 ZINC000019973706 182172259 /nfs/dbraw/zinc/17/22/59/182172259.db2.gz TWQBZZIJNALPGH-UHFFFAOYSA-N 0 0 300.362 0.479 50 0 DCAARN CN1CCN(C(=O)C2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000020018235 182179257 /nfs/dbraw/zinc/17/92/57/182179257.db2.gz HWZKOLSXNSKPJJ-UHFFFAOYSA-N 0 0 305.378 0.906 50 0 DCAARN O=C(NCCCN1CCOCC1)[C@@H]1COc2ccccc2O1 ZINC000020290079 182203141 /nfs/dbraw/zinc/20/31/41/182203141.db2.gz AFKPUDOAONZLNQ-HNNXBMFYSA-N 0 0 306.362 0.665 50 0 DCAARN CCOC(=O)[C@@H](N)CSCC(=O)NCCc1ccccc1 ZINC000020366742 182211859 /nfs/dbraw/zinc/21/18/59/182211859.db2.gz IQNXRHNXPZWTQR-ZDUSSCGKSA-N 0 0 310.419 0.969 50 0 DCAARN CCOC(=O)N1CCN(c2c(=O)c(=O)c2N[C@H](C)CC)CC1 ZINC000020378986 182213129 /nfs/dbraw/zinc/21/31/29/182213129.db2.gz KPPQFNIRQQGPFG-SNVBAGLBSA-N 0 0 309.366 0.772 50 0 DCAARN CC1(C)[C@@]2(C(=O)NCCN3CCOCC3)CC[C@]1(C)C(=O)O2 ZINC000020481079 182222684 /nfs/dbraw/zinc/22/26/84/182222684.db2.gz LKLDTEBJTWIVJQ-CVEARBPZSA-N 0 0 310.394 0.557 50 0 DCAARN O=C(NCCCN1CCOCC1)c1nc(-c2cccnc2)no1 ZINC000020713934 182242681 /nfs/dbraw/zinc/24/26/81/182242681.db2.gz BLGBAYRRZCKLPI-UHFFFAOYSA-N 0 0 317.349 0.584 50 0 DCAARN C[C@@H](C(=O)NCCN1CCOCC1)N1Cc2ccccc2C1=O ZINC000020925435 182254323 /nfs/dbraw/zinc/25/43/23/182254323.db2.gz UFWGDNCQCCTENT-ZDUSSCGKSA-N 0 0 317.389 0.479 50 0 DCAARN O=C(CN1CCOCC1)Nc1ccc(CN2CCOCC2)cc1 ZINC000020940125 182255909 /nfs/dbraw/zinc/25/59/09/182255909.db2.gz KONKTFFMIHYMHU-UHFFFAOYSA-N 0 0 319.405 0.790 50 0 DCAARN C[C@H](NC(=O)c1nccnc1N)c1ccc(S(C)(=O)=O)cc1 ZINC000021415909 182273937 /nfs/dbraw/zinc/27/39/37/182273937.db2.gz QJEHBZJGFBTBCM-VIFPVBQESA-N 0 0 320.374 0.953 50 0 DCAARN CCCCNC(=O)Cn1cnc2onc(C(=O)OCC)c2c1=O ZINC000021648348 182282271 /nfs/dbraw/zinc/28/22/71/182282271.db2.gz UZXJQTMVAVDCRZ-UHFFFAOYSA-N 0 0 322.321 0.478 50 0 DCAARN O=C(O[C@@H]1CCOC1=O)c1ccccc1CN1C(=O)CNC1=O ZINC000021922365 182298295 /nfs/dbraw/zinc/29/82/95/182298295.db2.gz KQONCIXKESHHBU-LLVKDONJSA-N 0 0 318.285 0.211 50 0 DCAARN CCOC(=O)NC(=O)COC(=O)CCn1c(C)csc1=O ZINC000022381745 182320333 /nfs/dbraw/zinc/32/03/33/182320333.db2.gz LUKNXYMNNZBWTO-UHFFFAOYSA-N 0 0 316.335 0.424 50 0 DCAARN COc1ccc(CNC(=O)CN(C)S(C)(=O)=O)cc1OC ZINC000022606740 182327970 /nfs/dbraw/zinc/32/79/70/182327970.db2.gz VIZTVMDFDAIGPJ-UHFFFAOYSA-N 0 0 316.379 0.211 50 0 DCAARN CN1N=C(C(=O)NCc2nnc3n2CCCCC3)CCC1=O ZINC000022701178 182331683 /nfs/dbraw/zinc/33/16/83/182331683.db2.gz SHMDXMGMIWGYIY-UHFFFAOYSA-N 0 0 304.354 0.229 50 0 DCAARN Nc1nccnc1C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000022900785 182340429 /nfs/dbraw/zinc/34/04/29/182340429.db2.gz NATFPLIMBCCIKC-UHFFFAOYSA-N 0 0 315.333 0.686 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000023019402 182344663 /nfs/dbraw/zinc/34/46/63/182344663.db2.gz GOSWDHBQCHFRPQ-LLVKDONJSA-N 0 0 323.418 0.805 50 0 DCAARN O=C(CN1CCN(CCO)CC1)N1CCSc2ccccc21 ZINC000022944815 182343384 /nfs/dbraw/zinc/34/33/84/182343384.db2.gz KVCKSZCDOCDTPS-UHFFFAOYSA-N 0 0 321.446 0.735 50 0 DCAARN O=C(Nc1cccnc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 ZINC000023170930 182352227 /nfs/dbraw/zinc/35/22/27/182352227.db2.gz FBCCLBZAQYOCCE-JTQLQIEISA-N 0 0 306.347 0.641 50 0 DCAARN CC(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 ZINC000023134287 182350154 /nfs/dbraw/zinc/35/01/54/182350154.db2.gz ISZFPXJVJHHFHO-UHFFFAOYSA-N 0 0 320.784 0.980 50 0 DCAARN CC(C)C(=O)NCCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000023326822 182357685 /nfs/dbraw/zinc/35/76/85/182357685.db2.gz DBAITMAQUXITBP-LBPRGKRZSA-N 0 0 309.410 0.666 50 0 DCAARN Cn1c2ncn(Cc3ccc(Cl)nc3)c2c(=O)n(C)c1=O ZINC000023374395 182357854 /nfs/dbraw/zinc/35/78/54/182357854.db2.gz MLJVAIGGKJUXJE-UHFFFAOYSA-N 0 0 305.725 0.530 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000023628585 182364657 /nfs/dbraw/zinc/36/46/57/182364657.db2.gz JJQVWPKNKQIDNK-MRVPVSSYSA-N 0 0 314.367 0.314 50 0 DCAARN CCOC(=O)c1ccoc1Cn1cnc2c(cnn2C)c1=O ZINC000024171938 182375781 /nfs/dbraw/zinc/37/57/81/182375781.db2.gz JPFHQVKRHCFMLU-UHFFFAOYSA-N 0 0 302.290 0.948 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)COc2cccc(F)c2)CC1 ZINC000024225523 182377117 /nfs/dbraw/zinc/37/71/17/182377117.db2.gz NQQZKNAQSUYKQT-UHFFFAOYSA-N 0 0 316.354 0.308 50 0 DCAARN COc1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CCCN3C2=O)cc1 ZINC000024719725 182389042 /nfs/dbraw/zinc/38/90/42/182389042.db2.gz MWDWDGIFPDJWSM-SMDDNHRTSA-N 0 0 320.345 0.862 50 0 DCAARN O=C(CN1CCN(C(=O)C2CC2)CC1)NC(C1CC1)C1CC1 ZINC000024596022 182384534 /nfs/dbraw/zinc/38/45/34/182384534.db2.gz IRRBCCOVRHNUPP-UHFFFAOYSA-N 0 0 305.422 0.845 50 0 DCAARN COc1ccc(OC[C@@H](O)CN2C(=O)[C@@H]3CCCN3C2=O)cc1 ZINC000024719721 182388745 /nfs/dbraw/zinc/38/87/45/182388745.db2.gz MWDWDGIFPDJWSM-FZMZJTMJSA-N 0 0 320.345 0.862 50 0 DCAARN NC(=O)[C@@H]1CC(C(=O)NC[C@H]2CCCO2)=NN1c1ccccc1 ZINC000029403500 182564644 /nfs/dbraw/zinc/56/46/44/182564644.db2.gz CQJGCAAYRGYTTQ-OCCSQVGLSA-N 0 0 316.361 0.402 50 0 DCAARN CS(=O)(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000029679687 182573722 /nfs/dbraw/zinc/57/37/22/182573722.db2.gz UAZIFNVTUZJVON-UHFFFAOYSA-N 0 0 321.196 0.728 50 0 DCAARN Cn1c(=O)c2cc(C(=O)NCC3CCC3)cnc2n(C)c1=O ZINC000031438748 182613269 /nfs/dbraw/zinc/61/32/69/182613269.db2.gz YOHFWPMCSCLGCW-UHFFFAOYSA-N 0 0 302.334 0.162 50 0 DCAARN COC[C@@H](C)NC(=O)c1ccccc1CN1C(=O)CNC1=O ZINC000032901787 182676317 /nfs/dbraw/zinc/67/63/17/182676317.db2.gz PJRQIIQPADYKDL-SNVBAGLBSA-N 0 0 305.334 0.503 50 0 DCAARN CN(C)c1ccc(C(=O)NC2CC2)cc1S(=O)(=O)N(C)C ZINC000033052949 182690851 /nfs/dbraw/zinc/69/08/51/182690851.db2.gz ORDYKMOXYKIYHE-UHFFFAOYSA-N 0 0 311.407 0.895 50 0 DCAARN CC(=O)Nc1nnc(S(=O)(=O)N2CCC[C@@H](C)C2)s1 ZINC000036182740 182808277 /nfs/dbraw/zinc/80/82/77/182808277.db2.gz FFYBJGXPAZAJSH-SSDOTTSWSA-N 0 0 304.397 0.917 50 0 DCAARN COCCCNC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000036874998 182850399 /nfs/dbraw/zinc/85/03/99/182850399.db2.gz VGZIOBXGPOMAET-UHFFFAOYSA-N 0 0 311.382 0.640 50 0 DCAARN O=C(CCNS(=O)(=O)c1cccnc1)Nc1cccnc1 ZINC000040090988 183033748 /nfs/dbraw/zinc/03/37/48/183033748.db2.gz LUCURWVLMVOKOT-UHFFFAOYSA-N 0 0 306.347 0.784 50 0 DCAARN NS(=O)(=O)CCCNC(=O)c1ccc(OC(F)F)cc1 ZINC000040382737 183058756 /nfs/dbraw/zinc/05/87/56/183058756.db2.gz NIAMTDDTNGZSOC-UHFFFAOYSA-N 0 0 308.306 0.696 50 0 DCAARN COC[C@@H](C)NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000040462895 183070978 /nfs/dbraw/zinc/07/09/78/183070978.db2.gz OEAZNIRSVJKQFT-SNVBAGLBSA-N 0 0 305.334 0.231 50 0 DCAARN CCc1cc2c(ncn(C[C@H](O)CN3CCOCC3)c2=O)s1 ZINC000040490196 183079906 /nfs/dbraw/zinc/07/99/06/183079906.db2.gz MTWHOFBFGGSDKC-LLVKDONJSA-N 0 0 323.418 0.714 50 0 DCAARN CNS(=O)(=O)c1ccc(CNC(=O)c2cccnc2)cc1 ZINC000040498974 183083014 /nfs/dbraw/zinc/08/30/14/183083014.db2.gz VFXMXACNCIMKPE-UHFFFAOYSA-N 0 0 305.359 0.920 50 0 DCAARN CN(CC(=O)NCCc1cccc2cccnc21)S(C)(=O)=O ZINC000040508734 183085957 /nfs/dbraw/zinc/08/59/57/183085957.db2.gz BUDPVYMFYMIKSQ-UHFFFAOYSA-N 0 0 321.402 0.785 50 0 DCAARN CN(C(=O)c1cn(-c2ccccc2)nn1)[C@@H]1CCS(=O)(=O)C1 ZINC000040508787 183086040 /nfs/dbraw/zinc/08/60/40/183086040.db2.gz RQVPEJNBRULQPR-GFCCVEGCSA-N 0 0 320.374 0.526 50 0 DCAARN C[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1 ZINC000040515798 183088916 /nfs/dbraw/zinc/08/89/16/183088916.db2.gz LDGBWJKESQBQJK-LBPRGKRZSA-N 0 0 311.407 0.961 50 0 DCAARN CNC(=O)c1ccc(CN(C(=O)CNC(=O)OC)C2CC2)cc1 ZINC000040555377 183101665 /nfs/dbraw/zinc/10/16/65/183101665.db2.gz UFKLTFQLSUOGRO-UHFFFAOYSA-N 0 0 319.361 0.893 50 0 DCAARN COC(=O)CNC(=O)c1nc(SC)ncc1Br ZINC000041097757 183165232 /nfs/dbraw/zinc/16/52/32/183165232.db2.gz CVGANSFJFTZGLE-UHFFFAOYSA-N 0 0 320.168 0.864 50 0 DCAARN O=C1COc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2N1 ZINC000041237502 183180024 /nfs/dbraw/zinc/18/00/24/183180024.db2.gz BWQOZCRSFSVIKJ-SECBINFHSA-N 0 0 312.347 0.475 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)NCCc1c[nH]c2ccccc12 ZINC000041295395 183184499 /nfs/dbraw/zinc/18/44/99/183184499.db2.gz GIYCPAVXJVWHRA-ZDUSSCGKSA-N 0 0 314.345 0.815 50 0 DCAARN O=C(Cn1nc(-c2ccccc2)oc1=O)NC[C@H]1CCOC1 ZINC000041373606 183187233 /nfs/dbraw/zinc/18/72/33/183187233.db2.gz DQWZCGPPNWDHJU-LLVKDONJSA-N 0 0 303.318 0.656 50 0 DCAARN Cc1nc(CN2CCN(C(=O)[C@@H](C)n3cncn3)CC2)cs1 ZINC000042360689 183258300 /nfs/dbraw/zinc/25/83/00/183258300.db2.gz HRTDLNMGTMMXBI-LLVKDONJSA-N 0 0 320.422 0.948 50 0 DCAARN Cc1ccccc1OCCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000042816601 183312301 /nfs/dbraw/zinc/31/23/01/183312301.db2.gz IVJQHFHXEQLKCZ-NSHDSACASA-N 0 0 305.334 0.430 50 0 DCAARN O=C(NCc1ccc2c(c1)OCCO2)N[C@@H]1CCCCNC1=O ZINC000043162818 183341951 /nfs/dbraw/zinc/34/19/51/183341951.db2.gz QKSWQCZWHNEJCE-GFCCVEGCSA-N 0 0 319.361 0.926 50 0 DCAARN Cc1nn(C)c(Cl)c1C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000044722742 183435414 /nfs/dbraw/zinc/43/54/14/183435414.db2.gz JTFQINNZRMVVGB-MRVPVSSYSA-N 0 0 305.787 0.546 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CCCc2ccccc21 ZINC000044936592 183460998 /nfs/dbraw/zinc/46/09/98/183460998.db2.gz SUWVRVVVZJFHFS-OAHLLOKOSA-N 0 0 322.430 0.911 50 0 DCAARN CN(C(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000044873116 183445311 /nfs/dbraw/zinc/44/53/11/183445311.db2.gz VSKWTEPDTFKMPU-LLVKDONJSA-N 0 0 311.359 0.717 50 0 DCAARN CCOc1ncccc1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000044893847 183449829 /nfs/dbraw/zinc/44/98/29/183449829.db2.gz CRVWEMOEUPEVLZ-UHFFFAOYSA-N 0 0 313.379 0.198 50 0 DCAARN Cn1c2ccccc2n(CC(=O)N2CCC[C@H](C(N)=O)C2)c1=O ZINC000044896815 183452158 /nfs/dbraw/zinc/45/21/58/183452158.db2.gz NDKCVGAWNGTKNF-NSHDSACASA-N 0 0 316.361 0.064 50 0 DCAARN CSCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000044973174 183470049 /nfs/dbraw/zinc/47/00/49/183470049.db2.gz WUXNCFGVOXRLLX-UHFFFAOYSA-N 0 0 319.386 0.723 50 0 DCAARN COc1ccc(C(=O)NC2(c3ncon3)CCOCC2)cn1 ZINC000274101036 211356954 /nfs/dbraw/zinc/35/69/54/211356954.db2.gz PADHDKFSCZHYLL-UHFFFAOYSA-N 0 0 304.306 0.909 50 0 DCAARN COc1ccc(CNC(=O)CN2CCS(=O)(=O)CC2)cc1 ZINC000045875436 183533649 /nfs/dbraw/zinc/53/36/49/183533649.db2.gz GICWUAAGQIXASA-UHFFFAOYSA-N 0 0 312.391 0.042 50 0 DCAARN O=C(NCc1nnc2n1CCC2)c1cn(-c2ccccc2)nn1 ZINC000046329880 183559768 /nfs/dbraw/zinc/55/97/68/183559768.db2.gz ZEFPHGQPBRKMOG-UHFFFAOYSA-N 0 0 309.333 0.735 50 0 DCAARN O=C(NCCNc1ncccn1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000047105723 183580958 /nfs/dbraw/zinc/58/09/58/183580958.db2.gz VCUFZMNPKFKHIW-GFCCVEGCSA-N 0 0 317.393 0.796 50 0 DCAARN CCc1nc(NC(=O)N2CCN(C(=O)C3CC3)CC2)nn1C ZINC000048121779 183621720 /nfs/dbraw/zinc/62/17/20/183621720.db2.gz BKMLHFNIXLQISX-UHFFFAOYSA-N 0 0 306.370 0.464 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)NCc1ccc(C(N)=O)cc1 ZINC000049223943 183720138 /nfs/dbraw/zinc/72/01/38/183720138.db2.gz FTJIPZIVKHJSTD-LLVKDONJSA-N 0 0 301.350 0.870 50 0 DCAARN CN(C)C(=O)COc1cc(C(=O)NCc2ccco2)nn1C ZINC000057312654 184033046 /nfs/dbraw/zinc/03/30/46/184033046.db2.gz QHUVSKRVLGODJQ-UHFFFAOYSA-N 0 0 306.322 0.410 50 0 DCAARN O=C(NCCN1CCOCC1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000057003436 184024093 /nfs/dbraw/zinc/02/40/93/184024093.db2.gz QYPTVQFLQVKDOJ-LSDHHAIUSA-N 0 0 305.378 0.276 50 0 DCAARN O=C(CNC(=O)[C@H]1COc2ccccc2O1)NCC(F)(F)F ZINC000057007669 184024342 /nfs/dbraw/zinc/02/43/42/184024342.db2.gz SRYAMZPTTSCHBC-SNVBAGLBSA-N 0 0 318.251 0.621 50 0 DCAARN Cc1nn(C)c(Cl)c1C(=O)NCC1(C(N)=O)CCOCC1 ZINC000057007526 184024344 /nfs/dbraw/zinc/02/43/44/184024344.db2.gz VRZWGLGGPGUZMG-UHFFFAOYSA-N 0 0 314.773 0.394 50 0 DCAARN NC(=O)CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1 ZINC000057522401 184040771 /nfs/dbraw/zinc/04/07/71/184040771.db2.gz VJIXMQYIVCPMLY-UHFFFAOYSA-N 0 0 318.362 0.132 50 0 DCAARN O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCCNC1=O ZINC000058181884 184085344 /nfs/dbraw/zinc/08/53/44/184085344.db2.gz VTWGZWJVCJOZKR-GFCCVEGCSA-N 0 0 315.329 0.068 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000058181486 184085643 /nfs/dbraw/zinc/08/56/43/184085643.db2.gz BABZRNOETZSHAC-UHFFFAOYSA-N 0 0 314.363 0.012 50 0 DCAARN NC(=O)CN1CCCN(C(=O)CCc2ccccc2F)CC1 ZINC000058202197 184087787 /nfs/dbraw/zinc/08/77/87/184087787.db2.gz WAKKYIXDPLLZSS-UHFFFAOYSA-N 0 0 307.369 0.778 50 0 DCAARN C[C@H]1CCC[C@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)C1 ZINC000058344305 184107284 /nfs/dbraw/zinc/10/72/84/184107284.db2.gz QBBIVCOBDOIPGK-QWRGUYRKSA-N 0 0 314.411 0.616 50 0 DCAARN Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCCNC3=O)CC2=O)cc1 ZINC000058280201 184098772 /nfs/dbraw/zinc/09/87/72/184098772.db2.gz KTIUTCYNRIXJQZ-JSGCOSHPSA-N 0 0 315.373 0.743 50 0 DCAARN COc1cccc(S(=O)(=O)CCSc2nnnn2C)c1 ZINC000060364467 184147170 /nfs/dbraw/zinc/14/71/70/184147170.db2.gz DQSYCJZCUPEWNQ-UHFFFAOYSA-N 0 0 314.392 0.785 50 0 DCAARN O=C(Cn1cnnn1)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000059852182 184141417 /nfs/dbraw/zinc/14/14/17/184141417.db2.gz FCSQYZGEQXZEQS-OAHLLOKOSA-N 0 0 315.333 0.712 50 0 DCAARN COCCNC(=O)[C@H]1c2ccccc2CC(=O)N1CCOC ZINC000065170270 184313349 /nfs/dbraw/zinc/31/33/49/184313349.db2.gz GUQDSLMMRZHXCN-OAHLLOKOSA-N 0 0 306.362 0.521 50 0 DCAARN CCn1cncc1C[N@@H+]1C[C@@H]2CN(C(C)=O)C[C@]2(C(=O)[O-])C1 ZINC000065408897 184339530 /nfs/dbraw/zinc/33/95/30/184339530.db2.gz DDZFNEJGMPKLMT-IUODEOHRSA-N 0 0 306.366 0.268 50 0 DCAARN CCCNc1ncc(CN2CC[C@H](O)C[C@@H]2C(=O)OC)cn1 ZINC000065453711 184347005 /nfs/dbraw/zinc/34/70/05/184347005.db2.gz ZKUHAHOLIIOIOR-QWHCGFSZSA-N 0 0 308.382 0.797 50 0 DCAARN O=c1[nH]nc(CN2CCOCC2)n1-c1ccc2c(c1)OCO2 ZINC000065462875 184348771 /nfs/dbraw/zinc/34/87/71/184348771.db2.gz JUUYPUXUAONURM-UHFFFAOYSA-N 0 0 304.306 0.122 50 0 DCAARN CCOc1ncnc2c1CN(CCC(=O)NC(=O)NC)CC2 ZINC000065463583 184349695 /nfs/dbraw/zinc/34/96/95/184349695.db2.gz ANUUNYUOTUABMP-UHFFFAOYSA-N 0 0 307.354 0.079 50 0 DCAARN O=C(NC[C@@H]1COCCO1)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000065466920 184350331 /nfs/dbraw/zinc/35/03/31/184350331.db2.gz QTPOBFQECSGACL-MRVPVSSYSA-N 0 0 321.255 0.931 50 0 DCAARN Cc1cc(NCCc2c[nH]c(=O)[nH]c2=O)nc(-c2cccnc2)n1 ZINC000065490325 184353856 /nfs/dbraw/zinc/35/38/56/184353856.db2.gz WNDKHNXVIJEEPZ-UHFFFAOYSA-N 0 0 324.344 0.878 50 0 DCAARN CC(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000065401530 184337120 /nfs/dbraw/zinc/33/71/20/184337120.db2.gz LLVBIROMFWVPPP-LLVKDONJSA-N 0 0 323.780 0.945 50 0 DCAARN COCc1c(C)onc1C(=O)N[C@@H]1C[C@@H](C(=O)OC)N(C)C1 ZINC000065406182 184338766 /nfs/dbraw/zinc/33/87/66/184338766.db2.gz DOUMSMQZRJMDKB-KOLCDFICSA-N 0 0 311.338 0.105 50 0 DCAARN CC(=O)Nc1ccc(CNC(=O)CN[C@H](C)c2nc[nH]n2)cc1 ZINC000065536027 184362647 /nfs/dbraw/zinc/36/26/47/184362647.db2.gz FADXNAMRLZOFKU-SNVBAGLBSA-N 0 0 316.365 0.730 50 0 DCAARN Cc1cc(C)c(CNC(=O)NCCN2CCOCC2)c(=O)[nH]1 ZINC000065538624 184363034 /nfs/dbraw/zinc/36/30/34/184363034.db2.gz AAGHPMSMCJFUKQ-UHFFFAOYSA-N 0 0 308.382 0.123 50 0 DCAARN CN(C)c1ccc(C(=O)OCCNC(=O)c2ccncc2)nn1 ZINC000065542700 184363871 /nfs/dbraw/zinc/36/38/71/184363871.db2.gz AVZWHJQZIWGSLB-UHFFFAOYSA-N 0 0 315.333 0.524 50 0 DCAARN C[C@H]1CN(C(=O)CN2C=Nc3ccccc3S2(=O)=O)CCO1 ZINC000065562887 184365969 /nfs/dbraw/zinc/36/59/69/184365969.db2.gz PJRDCDHPOYOLGD-NSHDSACASA-N 0 0 323.374 0.598 50 0 DCAARN Cc1noc([C@@H](C)N2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000065610633 184373341 /nfs/dbraw/zinc/37/33/41/184373341.db2.gz IBJQXGBEWNGJLU-GFCCVEGCSA-N 0 0 307.398 0.679 50 0 DCAARN COc1ccccc1Oc1ncccc1CNC(=O)C(N)=O ZINC000067677813 184479070 /nfs/dbraw/zinc/47/90/70/184479070.db2.gz MJTAEOAKMZMCQW-UHFFFAOYSA-N 0 0 301.302 0.984 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)NCCCOCC2CC2)C[C@@H](C)O1 ZINC000069415032 184512825 /nfs/dbraw/zinc/51/28/25/184512825.db2.gz MQSLICUULJYTFQ-VXGBXAGGSA-N 0 0 306.428 0.747 50 0 DCAARN C[C@@H]1CCc2ccccc2N1C(=O)CN1CCN(C)S1(=O)=O ZINC000333127022 252683884 /nfs/dbraw/zinc/68/38/84/252683884.db2.gz AKBMMVJDGFBSBN-GFCCVEGCSA-N 0 0 323.418 0.847 50 0 DCAARN NC(=O)c1ccc(-c2nnn(C[C@@H](O)C(F)(F)F)n2)cc1 ZINC000158083163 197242872 /nfs/dbraw/zinc/24/28/72/197242872.db2.gz LDVKEQNZMYCBEB-MRVPVSSYSA-N 0 0 301.228 0.362 50 0 DCAARN COc1c[nH]c(C(=O)N2CCN(c3ccccn3)CC2)cc1=O ZINC000524733651 257213113 /nfs/dbraw/zinc/21/31/13/257213113.db2.gz AAPXIVFAKVCIMH-UHFFFAOYSA-N 0 0 314.345 0.741 50 0 DCAARN O=C(CCCn1cnnn1)Nc1nnc(C(F)(F)F)s1 ZINC000524734713 257213692 /nfs/dbraw/zinc/21/36/92/257213692.db2.gz GIJFIOUONJLXEX-UHFFFAOYSA-N 0 0 307.261 0.962 50 0 DCAARN Cc1nc([C@@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)c(C)s1 ZINC000222585864 257274534 /nfs/dbraw/zinc/27/45/34/257274534.db2.gz RYNWTOJRVZXIOO-ZCFIWIBFSA-N 0 0 308.363 0.638 50 0 DCAARN C[C@@H]1C[C@@H]1C(=O)N1CC(CS(=O)(=O)NCc2ccco2)C1 ZINC000521398235 257240524 /nfs/dbraw/zinc/24/05/24/257240524.db2.gz DKCMREYGFHCFHL-MFKMUULPSA-N 0 0 312.391 0.813 50 0 DCAARN Cn1c(CNC(=O)N2CCC[C@H](C(N)=O)C2)nc2ccccc21 ZINC000426698520 257244130 /nfs/dbraw/zinc/24/41/30/257244130.db2.gz XNZRPGUXOLMXAX-NSHDSACASA-N 0 0 315.377 0.980 50 0 DCAARN CC(=O)N1CCN(C(=O)NCc2cc(F)ccc2C)C[C@H](O)C1 ZINC000426678100 257244162 /nfs/dbraw/zinc/24/41/62/257244162.db2.gz LODVGAXVZZPPRM-OAHLLOKOSA-N 0 0 323.368 0.869 50 0 DCAARN Cc1nc[nH]c1C(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O ZINC000426683823 257244245 /nfs/dbraw/zinc/24/42/45/257244245.db2.gz NUUHXKFPMPCVPH-VXGBXAGGSA-N 0 0 321.406 0.540 50 0 DCAARN O=C([C@@H]1CCCCn2nnnc21)N1CCC(c2ncon2)CC1 ZINC000426640336 257245290 /nfs/dbraw/zinc/24/52/90/257245290.db2.gz CSZQLVAARDZUEN-LLVKDONJSA-N 0 0 317.353 0.730 50 0 DCAARN COCCN(Cc1cnn(C)c1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000426589764 257246359 /nfs/dbraw/zinc/24/63/59/257246359.db2.gz LFESDGKHOYQDCK-ZDUSSCGKSA-N 0 0 323.397 0.199 50 0 DCAARN CCn1ncnc1[C@H](NC(=O)c1ccc2nnnn2c1)C1CC1 ZINC000426552092 257246830 /nfs/dbraw/zinc/24/68/30/257246830.db2.gz SGKRYGZMAMZMCE-GFCCVEGCSA-N 0 0 312.337 0.617 50 0 DCAARN COCCn1cnnc1[C@H](C)NC(=O)c1cccn(C)c1=O ZINC000426563118 257246997 /nfs/dbraw/zinc/24/69/97/257246997.db2.gz SECQQFDCNMQKSH-JTQLQIEISA-N 0 0 305.338 0.114 50 0 DCAARN Cc1cc(=O)[nH]c(CCNC(=O)c2cc(C)c(C)n(C)c2=O)n1 ZINC000426518369 257248004 /nfs/dbraw/zinc/24/80/04/257248004.db2.gz SHRXWXASRPJSPP-UHFFFAOYSA-N 0 0 316.361 0.779 50 0 DCAARN COc1ncc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000426509524 257248523 /nfs/dbraw/zinc/24/85/23/257248523.db2.gz SBUFMZSLDVMIJZ-UHFFFAOYSA-N 0 0 322.346 0.063 50 0 DCAARN O=C(NCCN1CCCOC1=O)c1ccc2c(c1)OCC(=O)N2 ZINC000426497121 257248679 /nfs/dbraw/zinc/24/86/79/257248679.db2.gz YXVWVOWCJQCUPA-UHFFFAOYSA-N 0 0 319.317 0.590 50 0 DCAARN CO[C@@H]1CCOC[C@H]1NC(=O)c1sc2[nH]cnc(=O)c2c1C ZINC000426477459 257249347 /nfs/dbraw/zinc/24/93/47/257249347.db2.gz WEEFEZXWDWOCIP-RKDXNWHRSA-N 0 0 323.374 0.827 50 0 DCAARN Cn1ccnc1CN1CCN(C(=O)C[C@H]2CCCOC2)CC1 ZINC000426489819 257249593 /nfs/dbraw/zinc/24/95/93/257249593.db2.gz XFLQXHYPPFBHQC-CQSZACIVSA-N 0 0 306.410 0.881 50 0 DCAARN Cc1nccn1[C@@H](C)C(=O)N1Cc2nc(C)n(C)c(=O)c2C1 ZINC000426433693 257250466 /nfs/dbraw/zinc/25/04/66/257250466.db2.gz RZWFTIDBUSLSNT-VIFPVBQESA-N 0 0 301.350 0.697 50 0 DCAARN Cc1nnnn1[C@H](C(=O)NCCc1cn[nH]n1)c1ccccc1 ZINC000426420052 257250732 /nfs/dbraw/zinc/25/07/32/257250732.db2.gz INDGXVMZRDQRKV-ZDUSSCGKSA-N 0 0 312.337 0.048 50 0 DCAARN CC(C)n1nccc1C(=O)N1CCCN([C@H]2COC[C@@H]2O)CC1 ZINC000426386971 257252426 /nfs/dbraw/zinc/25/24/26/257252426.db2.gz WHSXQSINVHMEOC-GJZGRUSLSA-N 0 0 322.409 0.372 50 0 DCAARN C[C@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC(C)(C)O1 ZINC000071831158 184859962 /nfs/dbraw/zinc/85/99/62/184859962.db2.gz KXWUQLLOLWIFHL-JTQLQIEISA-N 0 0 319.365 0.156 50 0 DCAARN COCCOc1nc(C(=O)N(C)CC(N)=O)cc2ccccc21 ZINC000071839325 184863518 /nfs/dbraw/zinc/86/35/18/184863518.db2.gz XRWQPJCDYOWTQD-UHFFFAOYSA-N 0 0 317.345 0.817 50 0 DCAARN C[C@@H](CC(=O)N1CCN(CC(N)=O)C(=O)C1)c1ccc(F)cc1 ZINC000408520199 533417038 /nfs/dbraw/zinc/41/70/38/533417038.db2.gz TWQMNCSDFNPQIG-NSHDSACASA-N 0 0 321.352 0.475 50 0 DCAARN Cc1noc([C@H]2CN(c3ncnc(N)c3Cl)CCN2C)n1 ZINC000284405802 131078171 /nfs/dbraw/zinc/07/81/71/131078171.db2.gz BOUDXANEPHAJEL-MRVPVSSYSA-N 0 0 309.761 0.897 50 0 DCAARN CCn1c(=O)cc(N2CCN(c3ccccc3)CC2)[nH]c1=O ZINC000004033799 134457769 /nfs/dbraw/zinc/45/77/69/134457769.db2.gz BKAGRYUEQFUZQE-UHFFFAOYSA-N 0 0 300.362 0.883 50 0 DCAARN Cc1ccc(N2N=C(C(=O)NCc3cccnc3)NCC2=O)cc1 ZINC000024648262 134661147 /nfs/dbraw/zinc/66/11/47/134661147.db2.gz RPXSOQIQHPAABV-UHFFFAOYSA-N 0 0 323.356 0.956 50 0 DCAARN O=C(CN1CCCCCC1=O)N1CCN(c2cnccn2)CC1 ZINC000025343300 134662560 /nfs/dbraw/zinc/66/25/60/134662560.db2.gz VFGGDEXVTRARNJ-UHFFFAOYSA-N 0 0 317.393 0.528 50 0 DCAARN O=S(=O)(N1CCCCC1)N1CCN(c2cnccn2)CC1 ZINC000028057459 134669267 /nfs/dbraw/zinc/66/92/67/134669267.db2.gz DESYMWRDMOVODN-UHFFFAOYSA-N 0 0 311.411 0.329 50 0 DCAARN O=C1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCN1 ZINC000045956820 134744507 /nfs/dbraw/zinc/74/45/07/134744507.db2.gz PTEBLKHRIIOZJE-UHFFFAOYSA-N 0 0 308.281 0.916 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000053894060 134771501 /nfs/dbraw/zinc/77/15/01/134771501.db2.gz GIVLSITXVLGBBE-RYUDHWBXSA-N 0 0 303.366 0.027 50 0 DCAARN O=C(CNC(=O)[C@H]1CCCO1)N1CCN(c2ccccn2)CC1 ZINC000065212690 134818889 /nfs/dbraw/zinc/81/88/89/134818889.db2.gz IMVAFUDLBHLFMX-CYBMUJFWSA-N 0 0 318.377 0.025 50 0 DCAARN O=S1(=O)CC[C@@H](Nc2ncc(F)c(N3CCOCC3)n2)C1 ZINC000065394820 134823615 /nfs/dbraw/zinc/82/36/15/134823615.db2.gz LRIXPLRLUHWJQC-SECBINFHSA-N 0 0 316.358 0.051 50 0 DCAARN CC(C)[C@@H](C(=O)N1CCN(c2ncccn2)CC1)n1cncn1 ZINC000065467483 134825648 /nfs/dbraw/zinc/82/56/48/134825648.db2.gz NQVMOWASMSGZCS-ZDUSSCGKSA-N 0 0 315.381 0.614 50 0 DCAARN CCNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000008269938 395684287 /nfs/dbraw/zinc/68/42/87/395684287.db2.gz DKDZJAQQZDTMCQ-LBPRGKRZSA-N 0 0 312.391 0.894 50 0 DCAARN CCNC(=O)CNC(=O)CSc1nnc(NCC)s1 ZINC000008250825 395684329 /nfs/dbraw/zinc/68/43/29/395684329.db2.gz CVHJCNSXJITLPH-UHFFFAOYSA-N 0 0 303.413 0.314 50 0 DCAARN CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000008316461 395684418 /nfs/dbraw/zinc/68/44/18/395684418.db2.gz WKZBVXKHYRJKNN-UHFFFAOYSA-N 0 0 316.354 0.596 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000008851753 395685011 /nfs/dbraw/zinc/68/50/11/395685011.db2.gz GUNLOLHZFCCDJC-UHFFFAOYSA-N 0 0 315.395 0.374 50 0 DCAARN CC(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1 ZINC000008849007 395685082 /nfs/dbraw/zinc/68/50/82/395685082.db2.gz JXNHPOHOKIUZPM-UHFFFAOYSA-N 0 0 304.281 0.285 50 0 DCAARN Nc1nc2c(c(=O)[nH]1)[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000009318136 395685291 /nfs/dbraw/zinc/68/52/91/395685291.db2.gz VGKORTWRSRSTNW-ZETCQYMHSA-N 0 0 300.274 0.555 50 0 DCAARN C[C@@H](NC(N)=O)C(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000010222257 395685966 /nfs/dbraw/zinc/68/59/66/395685966.db2.gz OPGKMZPNWCDYCE-LLVKDONJSA-N 0 0 301.350 0.588 50 0 DCAARN C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000010541717 395686143 /nfs/dbraw/zinc/68/61/43/395686143.db2.gz ZETNEKKQPPPGJG-GFCCVEGCSA-N 0 0 317.455 0.763 50 0 DCAARN C[C@H]1CN(C(=O)COc2ccc(-n3cnnn3)cc2)CCO1 ZINC000010857846 395686291 /nfs/dbraw/zinc/68/62/91/395686291.db2.gz GMACRPZWZKSDNO-NSHDSACASA-N 0 0 303.322 0.288 50 0 DCAARN Cc1ccc(COc2cn(CC(N)=O)c(CO)cc2=O)cc1 ZINC000012231167 395687274 /nfs/dbraw/zinc/68/72/74/395687274.db2.gz CMEZVYURKMYVGK-UHFFFAOYSA-N 0 0 302.330 0.713 50 0 DCAARN O=C1NC(N2CCOCC2)=N/C1=C/c1ccc(-n2cncn2)cc1 ZINC000012338433 395687462 /nfs/dbraw/zinc/68/74/62/395687462.db2.gz BWZYYWHEFFKUSJ-NTEUORMPSA-N 0 0 324.344 0.426 50 0 DCAARN COc1ccccc1NC(=O)Cn1cnc2c(nnn2C)c1=O ZINC000012443923 395687603 /nfs/dbraw/zinc/68/76/03/395687603.db2.gz JQOQFNSRUXYSET-UHFFFAOYSA-N 0 0 314.305 0.172 50 0 DCAARN Cn1c2sc(C(=O)NC[C@H]3CCCO3)cc2c(=O)n(C)c1=O ZINC000012422721 395687619 /nfs/dbraw/zinc/68/76/19/395687619.db2.gz BEVPDSKYPMRNLJ-MRVPVSSYSA-N 0 0 323.374 0.208 50 0 DCAARN NC(=O)NC(=O)CNc1cccc(-c2nnnn2C2CC2)c1 ZINC000012522135 395687709 /nfs/dbraw/zinc/68/77/09/395687709.db2.gz OIUNLOMMEGJSRT-UHFFFAOYSA-N 0 0 301.310 0.282 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(OC(F)F)cc1 ZINC000012814451 395688012 /nfs/dbraw/zinc/68/80/12/395688012.db2.gz QGBGMKJZCKOARY-UHFFFAOYSA-N 0 0 311.244 0.777 50 0 DCAARN CCNC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O ZINC000012916909 395688135 /nfs/dbraw/zinc/68/81/35/395688135.db2.gz NFQBNHNSSFKAGB-CQSZACIVSA-N 0 0 311.288 0.868 50 0 DCAARN COCCNC(=O)NC(=O)CN1CCC[C@@H]1c1cc(C)on1 ZINC000012988707 395688242 /nfs/dbraw/zinc/68/82/42/395688242.db2.gz IJJOXLPJERFALP-GFCCVEGCSA-N 0 0 310.354 0.592 50 0 DCAARN O=C(COc1ccc2c(c1)CCC2)N[C@H]1CCS(=O)(=O)C1 ZINC000014181716 395689356 /nfs/dbraw/zinc/68/93/56/395689356.db2.gz USEHEZZGPJPNGC-ZDUSSCGKSA-N 0 0 309.387 0.857 50 0 DCAARN NC(=O)[C@@H]1CCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000014978650 395689833 /nfs/dbraw/zinc/68/98/33/395689833.db2.gz PHBJOQNIEXWREX-JTQLQIEISA-N 0 0 316.317 0.915 50 0 DCAARN CS(=O)(=O)c1ccc(N2CCC(C(N)=O)CC2)c(F)c1 ZINC000015443659 395690042 /nfs/dbraw/zinc/69/00/42/395690042.db2.gz YPRZSALPENKYPD-UHFFFAOYSA-N 0 0 300.355 0.931 50 0 DCAARN CC[NH+]1CCN(CCn2c(=O)c3cccnc3[nH]c2=S)CC1 ZINC000020618242 395691300 /nfs/dbraw/zinc/69/13/00/395691300.db2.gz DVJSRZWCQYTVEJ-UHFFFAOYSA-N 0 0 319.434 0.718 50 0 DCAARN Cc1nn(C)c(C(=O)N2CCN(C)CC2)c1Br ZINC000022238454 395691800 /nfs/dbraw/zinc/69/18/00/395691800.db2.gz CSGBLSPMLOPQMV-UHFFFAOYSA-N 0 0 301.188 0.879 50 0 DCAARN Cn1ncc2c1ncnc2N1CCN(C(=O)c2cccnc2)CC1 ZINC000023462121 395692467 /nfs/dbraw/zinc/69/24/67/395692467.db2.gz DUERWFVSFFAWRE-UHFFFAOYSA-N 0 0 323.360 0.721 50 0 DCAARN O=C1CN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CCN1 ZINC000024053308 395692663 /nfs/dbraw/zinc/69/26/63/395692663.db2.gz SNSBLHWYRZAPCG-UHFFFAOYSA-N 0 0 317.397 0.008 50 0 DCAARN COCCN1C(=O)C[C@H](N2CCN(c3ccccc3)CC2)C1=O ZINC000024529024 395693050 /nfs/dbraw/zinc/69/30/50/395693050.db2.gz QKNUBEYWOFTHRD-HNNXBMFYSA-N 0 0 317.389 0.583 50 0 DCAARN COc1ccc(OC)c([C@H]2C(C(N)=O)=C(C)N=C3N=CNN32)c1 ZINC000000071365 395679655 /nfs/dbraw/zinc/67/96/55/395679655.db2.gz NSPPDCBYVXOHBM-ZDUSSCGKSA-N 0 0 315.333 0.722 50 0 DCAARN O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCNC2=O)CC1 ZINC000000047119 395679702 /nfs/dbraw/zinc/67/97/02/395679702.db2.gz ZRNGMWFHULEGLE-LLVKDONJSA-N 0 0 305.334 0.090 50 0 DCAARN CCOC(=O)NC(=O)c1cn(Nc2ccccc2)c(=O)[nH]c1=O ZINC000000170616 395679890 /nfs/dbraw/zinc/67/98/90/395679890.db2.gz SYXHNTDODQISCA-UHFFFAOYSA-N 0 0 318.289 0.298 50 0 DCAARN Cn1c2nc3n(c2c(=O)[nH]c1=O)C[C@@H](COc1ccccc1)O3 ZINC000000362829 395680281 /nfs/dbraw/zinc/68/02/81/395680281.db2.gz CRWWYTQKUZLGEB-JTQLQIEISA-N 0 0 314.301 0.263 50 0 DCAARN CCOC(=O)N1CCN(C(=O)c2c(Cl)cnn2C)CC1 ZINC000000373291 395680322 /nfs/dbraw/zinc/68/03/22/395680322.db2.gz CEZHSPKMNAZQAN-UHFFFAOYSA-N 0 0 300.746 0.988 50 0 DCAARN Cc1ccn(CC(=O)N2NC(C(F)F)=C[C@@]2(O)C(F)F)n1 ZINC000000374345 395680331 /nfs/dbraw/zinc/68/03/31/395680331.db2.gz UNEWENNRRZRDSP-LLVKDONJSA-N 0 0 308.235 0.999 50 0 DCAARN Cc1cc(C)nc(N(C#N)CC(=O)N2CCC(C(N)=O)CC2)n1 ZINC000000534153 395680506 /nfs/dbraw/zinc/68/05/06/395680506.db2.gz PWYSHXWZNMUGTR-UHFFFAOYSA-N 0 0 316.365 0.105 50 0 DCAARN CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000000616565 395680512 /nfs/dbraw/zinc/68/05/12/395680512.db2.gz XCJFDMJBKKQRPS-UHFFFAOYSA-N 0 0 316.354 0.305 50 0 DCAARN CNC(=O)c1ncnnc1N(C)C(=O)NCc1ccccc1 ZINC000000551496 395680576 /nfs/dbraw/zinc/68/05/76/395680576.db2.gz RPQKFQNBLZGUOH-UHFFFAOYSA-N 0 0 300.322 0.577 50 0 DCAARN Cn1c2nc(N)n(CCOc3ccccc3)c2c(=O)[nH]c1=O ZINC000000537517 395680583 /nfs/dbraw/zinc/68/05/83/395680583.db2.gz TUIJSECDVCKCDN-UHFFFAOYSA-N 0 0 301.306 0.085 50 0 DCAARN O=S(=O)(c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000001039704 395680729 /nfs/dbraw/zinc/68/07/29/395680729.db2.gz VIPUHMWJPZSJME-UWVGGRQHSA-N 0 0 310.780 0.272 50 0 DCAARN Nn1c(SCC(=O)N2CCOCC2)nnc1-c1ccncc1 ZINC000001789696 395681108 /nfs/dbraw/zinc/68/11/08/395681108.db2.gz OQDNMBIOWFHUTQ-UHFFFAOYSA-N 0 0 320.378 0.005 50 0 DCAARN Cn1ncc(I)c1C(=O)n1cccn1 ZINC000002767104 395681760 /nfs/dbraw/zinc/68/17/60/395681760.db2.gz ISJBZSSTRSLCAH-UHFFFAOYSA-N 0 0 302.075 0.910 50 0 DCAARN CC(=O)NCC(=O)O[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000002659662 395681814 /nfs/dbraw/zinc/68/18/14/395681814.db2.gz CANNLWZLGTXBBG-SNVBAGLBSA-N 0 0 306.318 0.896 50 0 DCAARN CCOc1ccccc1C(=O)Nc1cc(=O)n(C)c(=O)n1C ZINC000002711212 395681821 /nfs/dbraw/zinc/68/18/21/395681821.db2.gz WHKGKZLEJXFXLK-UHFFFAOYSA-N 0 0 303.318 0.735 50 0 DCAARN COc1ccc(-c2nnn(Cc3nnc(N)s3)n2)cc1OC ZINC000002972076 395682065 /nfs/dbraw/zinc/68/20/65/395682065.db2.gz FMNSOOISTPRGAU-UHFFFAOYSA-N 0 0 319.350 0.839 50 0 DCAARN Cc1ccc(NC(=O)CCC(=O)N2CC(=O)NC(=O)C2)cc1 ZINC000002911677 395682176 /nfs/dbraw/zinc/68/21/76/395682176.db2.gz CPXPGFDBXWFHFE-UHFFFAOYSA-N 0 0 303.318 0.199 50 0 DCAARN NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000003262054 395682390 /nfs/dbraw/zinc/68/23/90/395682390.db2.gz CXGKGLBPOWBXSM-UHFFFAOYSA-N 0 0 304.318 0.851 50 0 DCAARN CC1(C)Cc2c(sc3nc4n(c(=O)c32)CC(=O)N4N)CO1 ZINC000007077967 395683184 /nfs/dbraw/zinc/68/31/84/395683184.db2.gz NJPULTLXUQULAE-UHFFFAOYSA-N 0 0 306.347 0.530 50 0 DCAARN NC(=O)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000007875032 395683664 /nfs/dbraw/zinc/68/36/64/395683664.db2.gz JLAAJGLIURQCBQ-UHFFFAOYSA-N 0 0 305.334 0.551 50 0 DCAARN CC[C@@H](C)[C@@H](NC(=O)CSc1nnc(N)s1)C(=O)OC ZINC000008066756 395683792 /nfs/dbraw/zinc/68/37/92/395683792.db2.gz USOHNYXZPMRDRX-HTRCEHHLSA-N 0 0 318.424 0.916 50 0 DCAARN CCOC(=O)c1[nH]c(=O)[nH]c1CSc1nc(C)cc(=O)[nH]1 ZINC000085696822 395701423 /nfs/dbraw/zinc/70/14/23/395701423.db2.gz YFZMZEZHRSHKCL-UHFFFAOYSA-N 0 0 310.335 0.976 50 0 DCAARN COc1ccccc1-c1cc(C(=O)N2CCNC(=O)C2)no1 ZINC000030034136 395701589 /nfs/dbraw/zinc/70/15/89/395701589.db2.gz XISAVMXHHJKYAI-UHFFFAOYSA-N 0 0 301.302 0.922 50 0 DCAARN Cc1cc(C)c(CNC(=O)Cc2c(C)nc(C)[nH]c2=O)c(=O)[nH]1 ZINC000031220998 395705947 /nfs/dbraw/zinc/70/59/47/395705947.db2.gz TWVWZKKHUYQPIA-UHFFFAOYSA-N 0 0 316.361 0.551 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)c1ccc(-n2cccn2)cc1 ZINC000031217846 395706007 /nfs/dbraw/zinc/70/60/07/395706007.db2.gz QZUCBTFREMIZDQ-UHFFFAOYSA-N 0 0 322.390 0.541 50 0 DCAARN CC[C@H](C)NC(=O)CSc1[nH]c(=O)nc(C)c1C(=O)OC ZINC000031618159 395707228 /nfs/dbraw/zinc/70/72/28/395707228.db2.gz BGAHZXJCHVTCFL-ZETCQYMHSA-N 0 0 313.379 0.872 50 0 DCAARN CC(C)[C@H](C(=O)NC(N)=O)n1nnc(-c2cccc(F)c2)n1 ZINC000031734236 395708140 /nfs/dbraw/zinc/70/81/40/395708140.db2.gz ISUNNSAXVZCBNT-SNVBAGLBSA-N 0 0 306.301 0.871 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)c3cncnc3CC)CCO2)[nH]1 ZINC000089280402 395709417 /nfs/dbraw/zinc/70/94/17/395709417.db2.gz LDMDXDKUCREBEK-GFCCVEGCSA-N 0 0 316.365 0.933 50 0 DCAARN CCn1nc(C(=O)N[C@@H]2CCCC[C@H]2C(=O)NC)ccc1=O ZINC000089300114 395710033 /nfs/dbraw/zinc/71/00/33/395710033.db2.gz SQRZSPGITVJNDE-GHMZBOCLSA-N 0 0 306.366 0.298 50 0 DCAARN CCc1nc(C2(NCCNS(C)(=O)=O)CCCC2)no1 ZINC000089289989 395710199 /nfs/dbraw/zinc/71/01/99/395710199.db2.gz XBBNETNMPIMPNO-UHFFFAOYSA-N 0 0 302.400 0.540 50 0 DCAARN Cc1cnc(C)c(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1 ZINC000032529825 395711468 /nfs/dbraw/zinc/71/14/68/395711468.db2.gz MCMBNHJHCUJORE-UHFFFAOYSA-N 0 0 312.377 0.914 50 0 DCAARN O=C(c1cc[n+]([O-])cc1)N1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000032573397 395711475 /nfs/dbraw/zinc/71/14/75/395711475.db2.gz IXARHCYWMFYCFR-OAHLLOKOSA-N 0 0 311.341 0.503 50 0 DCAARN Cc1c(C(=O)N2CCN(C)C[C@H]2C)cnn1-c1ccc(=O)[nH]n1 ZINC000089544866 395712560 /nfs/dbraw/zinc/71/25/60/395712560.db2.gz YWGODLODEQKVLV-SNVBAGLBSA-N 0 0 316.365 0.040 50 0 DCAARN Cc1ccc(NC(=O)N[C@H](C)CO)cc1NC(=O)N[C@H](C)CO ZINC000032779576 395713159 /nfs/dbraw/zinc/71/31/59/395713159.db2.gz HSDWQNBWRAIATL-GHMZBOCLSA-N 0 0 324.381 1.000 50 0 DCAARN COc1ccc(C)cc1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000089618731 395713552 /nfs/dbraw/zinc/71/35/52/395713552.db2.gz KVWVGFFFSQQYLA-CYBMUJFWSA-N 0 0 323.393 0.818 50 0 DCAARN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC2(CC1)OCCO2 ZINC000032825295 395713935 /nfs/dbraw/zinc/71/39/35/395713935.db2.gz LJKCVTFCOIONMZ-SNVBAGLBSA-N 0 0 308.386 0.420 50 0 DCAARN NC(=O)N1CCC[C@H](C(=O)N2CCN(c3nccs3)CC2)C1 ZINC000032925452 395714851 /nfs/dbraw/zinc/71/48/51/395714851.db2.gz GEBWUSWQLGAQTB-NSHDSACASA-N 0 0 323.422 0.582 50 0 DCAARN O=C(NCc1cc(F)cc(Br)c1)[C@H]1CNC(=O)N1 ZINC000089764393 395714967 /nfs/dbraw/zinc/71/49/67/395714967.db2.gz UTFZJLMUOGXWHO-SECBINFHSA-N 0 0 316.130 0.886 50 0 DCAARN COc1cccc(NC(=O)NCCNC(=O)c2nonc2N)c1 ZINC000033014422 395715729 /nfs/dbraw/zinc/71/57/29/395715729.db2.gz MEPFKFAKAHJMRV-UHFFFAOYSA-N 0 0 320.309 0.212 50 0 DCAARN O=C(Nc1nncs1)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000089834840 395715820 /nfs/dbraw/zinc/71/58/20/395715820.db2.gz WQPMPNYRPDXWJA-NSHDSACASA-N 0 0 318.358 0.904 50 0 DCAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCC(C(N)=O)CC1)C2=O ZINC000033029249 395716159 /nfs/dbraw/zinc/71/61/59/395716159.db2.gz NTFROZIUAQQUAJ-BDJLRTHQSA-N 0 0 322.409 0.642 50 0 DCAARN C[C@@H](NC(=O)NCCCN1CCCCCC1=O)c1nncn1C ZINC000089913970 395716664 /nfs/dbraw/zinc/71/66/64/395716664.db2.gz QGMMVUIWVQYRRD-GFCCVEGCSA-N 0 0 322.413 0.968 50 0 DCAARN O=CNc1nnc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)s1 ZINC000033434161 395716837 /nfs/dbraw/zinc/71/68/37/395716837.db2.gz LQKIONHUTQCAIX-ZJUUUORDSA-N 0 0 317.374 0.892 50 0 DCAARN CC(=O)N1CCC(NC(=O)NCc2nnc3ccccn32)CC1 ZINC000089930486 395717127 /nfs/dbraw/zinc/71/71/27/395717127.db2.gz MVJOAAGSNUAHAV-UHFFFAOYSA-N 0 0 316.365 0.539 50 0 DCAARN CC(=O)N1CCCN(C(=O)NCc2ccnc(N(C)C)c2)CC1 ZINC000089930545 395717231 /nfs/dbraw/zinc/71/72/31/395717231.db2.gz RCJYDDFEFCUFFO-UHFFFAOYSA-N 0 0 319.409 0.911 50 0 DCAARN COC(=O)CNS(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000035250175 395720349 /nfs/dbraw/zinc/72/03/49/395720349.db2.gz QFQGNXJXKHMSIM-UHFFFAOYSA-N 0 0 301.320 0.066 50 0 DCAARN COCCNS(=O)(=O)c1cc(C(=O)N2CCCC2)cs1 ZINC000035405065 395720677 /nfs/dbraw/zinc/72/06/77/395720677.db2.gz POODNMVWGWMQKF-UHFFFAOYSA-N 0 0 318.420 0.909 50 0 DCAARN O=C1C[C@H](N[C@H]2CCS(=O)(=O)C2)C(=O)N1c1ccccc1 ZINC000036853107 395724697 /nfs/dbraw/zinc/72/46/97/395724697.db2.gz WBHBBEUMIDCPBF-JQWIXIFHSA-N 0 0 308.359 0.095 50 0 DCAARN Cc1cc(NC(=O)CCN2CCN(c3cnccn3)CC2)no1 ZINC000027635408 395695297 /nfs/dbraw/zinc/69/52/97/395695297.db2.gz MCQSZINRSUMYLV-UHFFFAOYSA-N 0 0 316.365 0.924 50 0 DCAARN CNC(=O)CN(C)S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000027955696 395695558 /nfs/dbraw/zinc/69/55/58/395695558.db2.gz QGEXGKBIRYAWGI-UHFFFAOYSA-N 0 0 320.342 0.209 50 0 DCAARN Cn1c2ncn(Cc3noc(C(C)(C)C)n3)c2c(=O)n(C)c1=O ZINC000028009294 395695723 /nfs/dbraw/zinc/69/57/23/395695723.db2.gz NMUSWSJLYZDRMS-UHFFFAOYSA-N 0 0 318.337 0.163 50 0 DCAARN CC(C)CCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000028097517 395695821 /nfs/dbraw/zinc/69/58/21/395695821.db2.gz YFWCGDGJNXHNPP-RYUDHWBXSA-N 0 0 316.423 0.184 50 0 DCAARN NC(=O)[C@@H]1CC(C(=O)NC[C@@H]2CCCO2)=NN1c1ccccc1 ZINC000029403492 395698006 /nfs/dbraw/zinc/69/80/06/395698006.db2.gz CQJGCAAYRGYTTQ-JSGCOSHPSA-N 0 0 316.361 0.402 50 0 DCAARN c1cc(NC[C@]2(N3CCOCC3)CCSC2)nn2nnnc12 ZINC000029626021 395699099 /nfs/dbraw/zinc/69/90/99/395699099.db2.gz COJBCISDGWFFAT-CYBMUJFWSA-N 0 0 321.410 0.139 50 0 DCAARN COCCN1CCN(CCC=C(C)C)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000091713528 395727050 /nfs/dbraw/zinc/72/70/50/395727050.db2.gz XDBUWAUWTAINJP-LSDHHAIUSA-N 0 0 316.467 0.772 50 0 DCAARN CN1N=C(C(=O)NC2CCN(c3ncccn3)CC2)CCC1=O ZINC000040529278 395734359 /nfs/dbraw/zinc/73/43/59/395734359.db2.gz GIALVLNICIDYGD-UHFFFAOYSA-N 0 0 316.365 0.170 50 0 DCAARN Cc1ccc(NC(=O)NCCS(=O)(=O)N(C)C)c(C)n1 ZINC000096180430 395746901 /nfs/dbraw/zinc/74/69/01/395746901.db2.gz RSDSYCMYTKXMQJ-UHFFFAOYSA-N 0 0 300.384 0.711 50 0 DCAARN O=C(c1cccnc1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000096005453 395740809 /nfs/dbraw/zinc/74/08/09/395740809.db2.gz SLQMKTCEIAECSU-UHFFFAOYSA-N 0 0 309.391 0.768 50 0 DCAARN COc1nn(C)cc1C(=O)NCc1nn(C)c2c1CCCC2 ZINC000096099117 395744480 /nfs/dbraw/zinc/74/44/80/395744480.db2.gz BBFMKOPSBUOKJE-UHFFFAOYSA-N 0 0 303.366 0.971 50 0 DCAARN O=C(NCCn1ccnc1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000043311523 395752660 /nfs/dbraw/zinc/75/26/60/395752660.db2.gz SWTMWBZUDFHZJU-CYBMUJFWSA-N 0 0 315.381 0.641 50 0 DCAARN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCC(=O)NC(C)C ZINC000096437521 395753131 /nfs/dbraw/zinc/75/31/31/395753131.db2.gz MPZFHLCNWBHDKG-SNVBAGLBSA-N 0 0 309.414 0.792 50 0 DCAARN CCOc1ccc(N2CCN(Cc3nccn3C)CC2)nn1 ZINC000097082481 395755146 /nfs/dbraw/zinc/75/51/46/395755146.db2.gz DMWNKIYOJIBLBR-UHFFFAOYSA-N 0 0 302.382 0.931 50 0 DCAARN COc1ncnc2c1CN(CC(=O)Nc1cc(C)on1)CC2 ZINC000097202532 395756025 /nfs/dbraw/zinc/75/60/25/395756025.db2.gz YJVGNYJQQCPKIJ-UHFFFAOYSA-N 0 0 303.322 0.778 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2c(s1)CCC2 ZINC000044357125 395756252 /nfs/dbraw/zinc/75/62/52/395756252.db2.gz NXQIFXLIRRRWPK-VIFPVBQESA-N 0 0 315.420 0.994 50 0 DCAARN COc1ccc(N2CCC[C@H](C(=O)N3CCOCC3)C2)nn1 ZINC000096232445 395750999 /nfs/dbraw/zinc/75/09/99/395750999.db2.gz TWSGMPLFKBODBD-LBPRGKRZSA-N 0 0 306.366 0.560 50 0 DCAARN Cn1cc(CCNC(=O)NCc2ccc(C(N)=O)cc2)cn1 ZINC000046916313 395783188 /nfs/dbraw/zinc/78/31/88/395783188.db2.gz CLQXUICPKAQCSM-UHFFFAOYSA-N 0 0 301.350 0.561 50 0 DCAARN Cc1cnc2c(C(=O)NCCNC(=O)c3cccnc3)cnn2c1 ZINC000097610133 395759073 /nfs/dbraw/zinc/75/90/73/395759073.db2.gz CEUFVFSNOYZWFO-UHFFFAOYSA-N 0 0 324.344 0.593 50 0 DCAARN O=C(N1CCN(Cc2ccccc2F)C[C@H](O)C1)C1(CO)CC1 ZINC000097637925 395759989 /nfs/dbraw/zinc/75/99/89/395759989.db2.gz OADKSRQCLBXSTR-AWEZNQCLSA-N 0 0 322.380 0.603 50 0 DCAARN C[C@H](COc1ccc(F)cc1)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC000097915168 395760787 /nfs/dbraw/zinc/76/07/87/395760787.db2.gz WDDQZGAZRPGRMP-BXKDBHETSA-N 0 0 323.324 0.697 50 0 DCAARN COC(=O)c1ncn(C[C@H](O)c2ccc(OC)cc2)c1CO ZINC000098211170 395762353 /nfs/dbraw/zinc/76/23/53/395762353.db2.gz XESRYOLQZXAAJZ-ZDUSSCGKSA-N 0 0 306.318 0.904 50 0 DCAARN O=C1C[C@H](SCCO)C(=O)N1c1ccc2c(c1)OCCO2 ZINC000100130277 395762708 /nfs/dbraw/zinc/76/27/08/395762708.db2.gz YEDDZULUMIMGKN-LBPRGKRZSA-N 0 0 309.343 0.815 50 0 DCAARN CN1CCN(c2c(=O)c(=O)c2NCCOc2ccccc2)CC1 ZINC000101676630 395766180 /nfs/dbraw/zinc/76/61/80/395766180.db2.gz FATFTBLDQUINOO-UHFFFAOYSA-N 0 0 315.373 0.525 50 0 DCAARN O=C(Cn1cnnn1)NCc1cccnc1OCC(F)(F)F ZINC000046276326 395775106 /nfs/dbraw/zinc/77/51/06/395775106.db2.gz BETTYWDBFPZLIY-UHFFFAOYSA-N 0 0 316.243 0.326 50 0 DCAARN O=S(=O)(c1cccc(F)c1)N1CCN(CCCO)CC1 ZINC000048234686 395811650 /nfs/dbraw/zinc/81/16/50/395811650.db2.gz IUVIDLRPKHXQPC-UHFFFAOYSA-N 0 0 302.371 0.514 50 0 DCAARN NC(=O)C1CCN(CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000048234308 395811668 /nfs/dbraw/zinc/81/16/68/395811668.db2.gz GWAPEMRQAUZNME-CQSZACIVSA-N 0 0 317.389 0.824 50 0 DCAARN CCOC(=O)NCC(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000048332415 395813004 /nfs/dbraw/zinc/81/30/04/395813004.db2.gz SDEDRTKDKHZGSS-UHFFFAOYSA-N 0 0 322.365 0.281 50 0 DCAARN OCCN1CC[N@@H+](C2CCN(c3ccccc3)CC2)C[C@H](O)C1 ZINC000225342805 395859053 /nfs/dbraw/zinc/85/90/53/395859053.db2.gz AWWAWWQUXQSSDZ-GOSISDBHSA-N 0 0 319.449 0.626 50 0 DCAARN O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)[C@H]1CC(=O)N(CC2CC2)C1 ZINC000225357941 395859301 /nfs/dbraw/zinc/85/93/01/395859301.db2.gz LTRQIRMFBYLGAU-VBQJREDUSA-N 0 0 322.405 0.699 50 0 DCAARN Cn1cccc1CN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000195579096 395832273 /nfs/dbraw/zinc/83/22/73/395832273.db2.gz PBXNCIRWENBLIZ-UHFFFAOYSA-N 0 0 311.451 0.720 50 0 DCAARN C[C@@H]1CCc2[nH]c(=O)c(C(=O)NCCN3CCOCC3)cc2C1 ZINC000049551297 395832600 /nfs/dbraw/zinc/83/26/00/395832600.db2.gz GQNHSSMLHKJAGQ-GFCCVEGCSA-N 0 0 319.405 0.562 50 0 DCAARN Cc1noc(C2CN(C(=O)Cn3c4ccccc4oc3=O)C2)n1 ZINC000049482479 395832614 /nfs/dbraw/zinc/83/26/14/395832614.db2.gz MJJPHBPUFKVNEB-UHFFFAOYSA-N 0 0 314.301 0.912 50 0 DCAARN C[C@@H](Cn1cccn1)C(=O)NCc1nnnn1-c1ccccc1 ZINC000217911278 395840800 /nfs/dbraw/zinc/84/08/00/395840800.db2.gz JWCVVLOBHKVPOW-LBPRGKRZSA-N 0 0 311.349 0.811 50 0 DCAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000050857505 395842527 /nfs/dbraw/zinc/84/25/27/395842527.db2.gz OCLFHDCTUJZNOE-LBPRGKRZSA-N 0 0 315.329 0.976 50 0 DCAARN COc1ccc(C(=O)N2CCN([C@H]3CCN(C)C3=O)CC2)cc1 ZINC000116272010 395842681 /nfs/dbraw/zinc/84/26/81/395842681.db2.gz YUWJRTZKEFWNGB-HNNXBMFYSA-N 0 0 317.389 0.684 50 0 DCAARN Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(C1CCOCC1)C2 ZINC000219280394 395844504 /nfs/dbraw/zinc/84/45/04/395844504.db2.gz BIHHLTRHRJKXFG-OAHLLOKOSA-N 0 0 317.393 0.693 50 0 DCAARN O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)C1(Cn2ccnc2)CC1 ZINC000219545987 395845316 /nfs/dbraw/zinc/84/53/16/395845316.db2.gz ZRVXKZQANBCYPJ-VXGBXAGGSA-N 0 0 323.349 0.038 50 0 DCAARN Cc1n[nH]c(C)c1[C@@H](N)C(=O)NCCc1nncn1C(C)C ZINC000219323560 395845610 /nfs/dbraw/zinc/84/56/10/395845610.db2.gz LXDKZUZGNLENIH-CYBMUJFWSA-N 0 0 305.386 0.558 50 0 DCAARN Cc1ncsc1CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000219775850 395846472 /nfs/dbraw/zinc/84/64/72/395846472.db2.gz YRJAPKMQHLSOAV-SECBINFHSA-N 0 0 305.425 0.438 50 0 DCAARN Cc1nnc([C@@H](NS(=O)(=O)N2CCO[C@@H](C)C2)C(C)C)[nH]1 ZINC000222086025 395851376 /nfs/dbraw/zinc/85/13/76/395851376.db2.gz DDSKDAQSXWPODA-ONGXEEELSA-N 0 0 317.415 0.365 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)C1=NNC(=O)CC1 ZINC000223040989 395853280 /nfs/dbraw/zinc/85/32/80/395853280.db2.gz HTSFVBRNGCAWDW-ZYHUDNBSSA-N 0 0 318.333 0.000 50 0 DCAARN COc1ccc(OC)c(CC(=O)NCCc2ncnn2C)c1 ZINC000223161392 395854023 /nfs/dbraw/zinc/85/40/23/395854023.db2.gz MPHQQUZABWIIOQ-UHFFFAOYSA-N 0 0 304.350 0.734 50 0 DCAARN O=C(NCCCn1ccnn1)[C@H](c1ccccc1)n1cnnn1 ZINC000223072519 395854094 /nfs/dbraw/zinc/85/40/94/395854094.db2.gz IWRUZWUTKKKNSY-ZDUSSCGKSA-N 0 0 312.337 0.061 50 0 DCAARN CS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc1 ZINC000223145640 395854561 /nfs/dbraw/zinc/85/45/61/395854561.db2.gz LHFWBGIMIYUQNT-RDBSUJKOSA-N 0 0 309.387 0.926 50 0 DCAARN CNC(=O)[C@@H]1CCCN(C(=O)c2[nH]c(=O)nc3ccccc32)C1 ZINC000223227857 395854580 /nfs/dbraw/zinc/85/45/80/395854580.db2.gz ZHGWOGABBXSFIC-SNVBAGLBSA-N 0 0 314.345 0.521 50 0 DCAARN COc1cncc(O[C@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)n1 ZINC000225500041 395861502 /nfs/dbraw/zinc/86/15/02/395861502.db2.gz RECMMEVHCMYMCI-NEPJUHHUSA-N 0 0 307.350 0.892 50 0 DCAARN O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1ccn2nnnc2c1 ZINC000223425366 395855181 /nfs/dbraw/zinc/85/51/81/395855181.db2.gz QWOLINQFXCLDJP-OLZOCXBDSA-N 0 0 317.349 0.438 50 0 DCAARN COC(=O)N1CCCC[C@@H]1C(=O)NCCSc1c[nH]nn1 ZINC000223905263 395857258 /nfs/dbraw/zinc/85/72/58/395857258.db2.gz HNFNZFSKWLSLDQ-SECBINFHSA-N 0 0 313.383 0.634 50 0 DCAARN C[C@@H](CNC(=O)NCCNc1ccccn1)N1CCOCC1 ZINC000047500735 395794525 /nfs/dbraw/zinc/79/45/25/395794525.db2.gz IFUYASNJKHRZMS-ZDUSSCGKSA-N 0 0 307.398 0.513 50 0 DCAARN Cc1n[nH]c(C(=O)N2CC[C@H](C(N)=O)C2)c1Br ZINC000054080571 395893274 /nfs/dbraw/zinc/89/32/74/395893274.db2.gz MEMFAPKWVDJOCO-LURJTMIESA-N 0 0 301.144 0.428 50 0 DCAARN CCC1(CO)CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000124329778 395900838 /nfs/dbraw/zinc/90/08/38/395900838.db2.gz YXDPKUIYZAQHPU-KBPBESRZSA-N 0 0 313.442 0.900 50 0 DCAARN CCN1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000054483310 395901288 /nfs/dbraw/zinc/90/12/88/395901288.db2.gz KJDVEUMQGRQKHL-OAHLLOKOSA-N 0 0 314.393 0.621 50 0 DCAARN C[NH2+]C[C@H]1CCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000237259067 395908627 /nfs/dbraw/zinc/90/86/27/395908627.db2.gz ATARVASUZCGFGC-SECBINFHSA-N 0 0 317.349 0.156 50 0 DCAARN COC(=O)NCC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000055115251 395911238 /nfs/dbraw/zinc/91/12/38/395911238.db2.gz QGPMPPHYNVAKRO-UHFFFAOYSA-N 0 0 302.334 0.887 50 0 DCAARN CCOCCn1c(=O)n(CC[NH+](C)C)c2cc(C(=O)[O-])cnc21 ZINC000055244682 395914649 /nfs/dbraw/zinc/91/46/49/395914649.db2.gz MVAUHQOEKCCMNT-UHFFFAOYSA-N 0 0 322.365 0.494 50 0 DCAARN Cc1cc(C)n(CCC(=O)NCc2nnc3n2CCC3)c(=O)n1 ZINC000055393203 395918521 /nfs/dbraw/zinc/91/85/21/395918521.db2.gz CEPNCMFNPDVNEC-UHFFFAOYSA-N 0 0 316.365 0.104 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)NCCNC(=O)c2ccoc2)CC1=O ZINC000055395452 395918843 /nfs/dbraw/zinc/91/88/43/395918843.db2.gz NXQDHAXORBSTJG-ZDUSSCGKSA-N 0 0 321.377 0.630 50 0 DCAARN Cc1csc(N2CCCN(C(=O)Cn3cncn3)CC2)n1 ZINC000055759577 395921369 /nfs/dbraw/zinc/92/13/69/395921369.db2.gz PGXZCYUUXWLSTB-UHFFFAOYSA-N 0 0 306.395 0.782 50 0 DCAARN O=C(NCc1nc(-c2cc(C3CC3)on2)no1)N1CCNC1=O ZINC000238898079 395923156 /nfs/dbraw/zinc/92/31/56/395923156.db2.gz RFMWXYYVOCDEEH-UHFFFAOYSA-N 0 0 318.293 0.837 50 0 DCAARN Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC000244858617 395926195 /nfs/dbraw/zinc/92/61/95/395926195.db2.gz VOMVYNBJRGDPIV-AOOOYVTPSA-N 0 0 317.349 0.849 50 0 DCAARN CC(C)N1CCO[C@H](C(=O)N2CCC(N3CCCC3=O)CC2)C1 ZINC000225706134 395863146 /nfs/dbraw/zinc/86/31/46/395863146.db2.gz OUZJBNZSJQNHDK-HNNXBMFYSA-N 0 0 323.437 0.709 50 0 DCAARN COC(=O)CN(CC(=O)NC(N)=O)Cc1ccc(Cl)cc1 ZINC000052864171 395872241 /nfs/dbraw/zinc/87/22/41/395872241.db2.gz WUNVMPKNUDXJQA-UHFFFAOYSA-N 0 0 313.741 0.510 50 0 DCAARN NC(=O)[C@@H](c1ccc(F)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000229502921 395874905 /nfs/dbraw/zinc/87/49/05/395874905.db2.gz QZKUPCCPCJJQFE-HUUCEWRRSA-N 0 0 318.352 0.950 50 0 DCAARN CCCc1nnc([C@H]2CN(C[C@@H](O)Cn3cccn3)CCO2)[nH]1 ZINC000229826547 395876630 /nfs/dbraw/zinc/87/66/30/395876630.db2.gz GXKCJGSHQYYRPQ-CHWSQXEVSA-N 0 0 320.397 0.388 50 0 DCAARN Cc1nn(C)c(C)c1NC(=O)CN1C[C@H](C(N)=O)CC[C@H]1C ZINC000230131679 395878785 /nfs/dbraw/zinc/87/87/85/395878785.db2.gz YCPSZTPTZZTJAU-BXKDBHETSA-N 0 0 307.398 0.561 50 0 DCAARN CC[C@H](C)[C@H](CO)NC(=O)c1ccc(Cn2cnnn2)cc1 ZINC000230210300 395879413 /nfs/dbraw/zinc/87/94/13/395879413.db2.gz USEJRRNSSFZNCF-FZMZJTMJSA-N 0 0 303.366 0.858 50 0 DCAARN O=C(NCc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000058018961 395951132 /nfs/dbraw/zinc/95/11/32/395951132.db2.gz WIAJYVCWNNYQOM-ZDUSSCGKSA-N 0 0 319.386 0.923 50 0 DCAARN C[C@H](CNC(=O)c1ccnc(-n2cncn2)c1)Cn1cccn1 ZINC000058341662 395953128 /nfs/dbraw/zinc/95/31/28/395953128.db2.gz OMGYMGQLVVMWNU-GFCCVEGCSA-N 0 0 311.349 0.925 50 0 DCAARN O=C(Cn1cnnn1)NCc1ccc(N2CCCC2=O)cc1 ZINC000247747964 395978080 /nfs/dbraw/zinc/97/80/80/395978080.db2.gz SQIROWZHODXXBX-UHFFFAOYSA-N 0 0 300.322 0.116 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000248288865 395984534 /nfs/dbraw/zinc/98/45/34/395984534.db2.gz IOZDNWHMYFULSW-RBSFLKMASA-N 0 0 322.405 0.925 50 0 DCAARN Cc1c(CN2CC[C@@H](n3c(=O)[nH]c4cncnc43)C2)cnn1C ZINC000065256782 395991403 /nfs/dbraw/zinc/99/14/03/395991403.db2.gz GQIFFUIRSWZAMS-GFCCVEGCSA-N 0 0 313.365 0.609 50 0 DCAARN CCc1ccc(CN2CCN(c3cc(=O)nc(N)[nH]3)CC2)nc1 ZINC000065421582 395993024 /nfs/dbraw/zinc/99/30/24/395993024.db2.gz DCIUVNPRWYUVQN-UHFFFAOYSA-N 0 0 314.393 0.632 50 0 DCAARN COCC(=O)Nc1ccc(OC)nc1N1CCN(C(C)=O)CC1 ZINC000065626798 395995851 /nfs/dbraw/zinc/99/58/51/395995851.db2.gz UJENSCANCOWQMU-UHFFFAOYSA-N 0 0 322.365 0.344 50 0 DCAARN Cc1cc(C(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)nc(N)n1 ZINC000252536557 396022433 /nfs/dbraw/zinc/02/24/33/396022433.db2.gz IVYBTPOKRGZEIF-SUZMYJTESA-N 0 0 316.365 0.343 50 0 DCAARN CC[C@H](C)[C@H](CO)NC(=O)C1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000252540370 396022943 /nfs/dbraw/zinc/02/29/43/396022943.db2.gz PFIKDERFBTVWIA-AAEUAGOBSA-N 0 0 322.409 0.922 50 0 DCAARN O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)[C@H]1CCNC(=O)C1 ZINC000153257782 396023087 /nfs/dbraw/zinc/02/30/87/396023087.db2.gz RQMVPPXLTLDCLN-KBPBESRZSA-N 0 0 321.421 0.810 50 0 DCAARN CCCN1C[C@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)CC1=O ZINC000067446819 396026474 /nfs/dbraw/zinc/02/64/74/396026474.db2.gz DMVMWWRZWYJWAU-SNVBAGLBSA-N 0 0 314.345 0.664 50 0 DCAARN CCn1nc(C(=O)[O-])c2c1CC[C@H]([NH2+]C1(C(N)=O)CCCC1)C2 ZINC000067490207 396027165 /nfs/dbraw/zinc/02/71/65/396027165.db2.gz BXRXZXBTXPIOGY-JTQLQIEISA-N 0 0 320.393 0.846 50 0 DCAARN Cc1ccn(CC(=O)N2C[C@@H](CO)[C@H](c3ccccn3)C2)n1 ZINC000253409832 396027200 /nfs/dbraw/zinc/02/72/00/396027200.db2.gz MMWYWGLRGFBRRL-UONOGXRCSA-N 0 0 300.362 0.821 50 0 DCAARN Cn1cc(N2CC[C@@H](N3C(=O)N4CCC[C@]4(C)C3=O)C2=O)cn1 ZINC000253420258 396028012 /nfs/dbraw/zinc/02/80/12/396028012.db2.gz KBIWOSKQWJBDIH-IAQYHMDHSA-N 0 0 317.349 0.342 50 0 DCAARN COc1cc2c(cc1CN1CC[C@@]([NH3+])(C(=O)[O-])C1)OCCCO2 ZINC000067588838 396028434 /nfs/dbraw/zinc/02/84/34/396028434.db2.gz IEAPTHGLXMAFSN-INIZCTEOSA-N 0 0 322.361 0.844 50 0 DCAARN COc1ccc2nnc(CNC(=O)c3csc(C)n3)n2n1 ZINC000253471826 396028685 /nfs/dbraw/zinc/02/86/85/396028685.db2.gz FXASNPCVRWCMRA-UHFFFAOYSA-N 0 0 304.335 0.828 50 0 DCAARN COC(=O)c1cc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)n(C)n1 ZINC000067691805 396031178 /nfs/dbraw/zinc/03/11/78/396031178.db2.gz VEMBHVXAZRGVSD-JTQLQIEISA-N 0 0 317.349 0.950 50 0 DCAARN CCc1cc(CN(C)C(=O)CN2C(=O)NC(=O)C2(C)C)on1 ZINC000067842927 396036004 /nfs/dbraw/zinc/03/60/04/396036004.db2.gz OJIXMADVBBMEBI-UHFFFAOYSA-N 0 0 308.338 0.526 50 0 DCAARN COCc1c(C)onc1C(=O)N1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000067935137 396039451 /nfs/dbraw/zinc/03/94/51/396039451.db2.gz YTJBRQYNQLEXTJ-MNOVXSKESA-N 0 0 307.350 0.965 50 0 DCAARN CN1CCN(C(=O)C2([NH+]3CCCC3)CCCC2)C[C@@H]1C(=O)[O-] ZINC000067954418 396040339 /nfs/dbraw/zinc/04/03/39/396040339.db2.gz UTBAOCRGXFPNKX-CYBMUJFWSA-N 0 0 309.410 0.622 50 0 DCAARN CN(Cc1n[nH]c(=O)n1Cc1cccs1)S(C)(=O)=O ZINC000067967875 396040796 /nfs/dbraw/zinc/04/07/96/396040796.db2.gz ZVVBGTXXFAVNPG-UHFFFAOYSA-N 0 0 302.381 0.073 50 0 DCAARN CN(C)c1ncc(NC(=O)N2CCC[C@H]2C(=O)NC2CC2)cn1 ZINC000154720374 396041224 /nfs/dbraw/zinc/04/12/24/396041224.db2.gz WIFCMAFDDGKOQM-LBPRGKRZSA-N 0 0 318.381 0.818 50 0 DCAARN Cc1nc2c(c(C)n1)C[C@H](CN1Cc3cnn(CCO)c3C1)O2 ZINC000252479960 396019994 /nfs/dbraw/zinc/01/99/94/396019994.db2.gz BQVFMEPNOMFCQC-CYBMUJFWSA-N 0 0 315.377 0.602 50 0 DCAARN C[C@@H](NC(=O)N1CCN(c2cccs2)CC1)c1nnnn1C ZINC000252483873 396020053 /nfs/dbraw/zinc/02/00/53/396020053.db2.gz FKKYREQCBDIHLU-SNVBAGLBSA-N 0 0 321.410 0.864 50 0 DCAARN C[C@@H](NS(C)(=O)=O)C(=O)NCCCn1ncc2ccccc21 ZINC000252485597 396020913 /nfs/dbraw/zinc/02/09/13/396020913.db2.gz GZXBPZLJKBMOSM-LLVKDONJSA-N 0 0 324.406 0.480 50 0 DCAARN Cc1cccc(Cn2[nH]ccc2=NC(=O)CN(C)CC(N)=O)c1 ZINC000252498024 396021538 /nfs/dbraw/zinc/02/15/38/396021538.db2.gz IUSCGLVNRSXHTQ-UHFFFAOYSA-N 0 0 315.377 0.017 50 0 DCAARN COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]C1 ZINC000252507496 396021820 /nfs/dbraw/zinc/02/18/20/396021820.db2.gz WNBNAAQMIMWFKT-QMMMGPOBSA-N 0 0 319.408 0.208 50 0 DCAARN O=c1[nH]cccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000067172492 396021930 /nfs/dbraw/zinc/02/19/30/396021930.db2.gz NXWHHKPHAYXNFM-UHFFFAOYSA-N 0 0 319.386 0.886 50 0 DCAARN C[C@H](O)CN1CCN(CC(=O)NCc2ccccc2F)CC1 ZINC000069652566 396086255 /nfs/dbraw/zinc/08/62/55/396086255.db2.gz YZBSBLDQJFFDEU-ZDUSSCGKSA-N 0 0 309.385 0.440 50 0 DCAARN Cn1cc(Cn2cnc3c(nnn3-c3ccccc3)c2=O)cn1 ZINC000069778049 396090310 /nfs/dbraw/zinc/09/03/10/396090310.db2.gz FYYNRUOMWPCVOF-UHFFFAOYSA-N 0 0 307.317 0.759 50 0 DCAARN O=C(c1cnccn1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000069775608 396090496 /nfs/dbraw/zinc/09/04/96/396090496.db2.gz MIYXEZXXYWIHRE-INIZCTEOSA-N 0 0 312.373 0.968 50 0 DCAARN CNC(=O)N1CCC([C@H]2CCN(C(=O)c3cc[nH]n3)C2)CC1 ZINC000169752306 396090747 /nfs/dbraw/zinc/09/07/47/396090747.db2.gz XEFMYGGUYOCOOB-LBPRGKRZSA-N 0 0 305.382 0.923 50 0 DCAARN COCCN1CC[C@H](N2CCN(C(=O)CC(C)C)CC2)C1=O ZINC000169757391 396090942 /nfs/dbraw/zinc/09/09/42/396090942.db2.gz MFQQZVNWCXRIQR-AWEZNQCLSA-N 0 0 311.426 0.424 50 0 DCAARN COC(=O)[C@@](C)(COc1ccccc1)NC(=O)[C@H]1CCC(=O)N1 ZINC000069844205 396091816 /nfs/dbraw/zinc/09/18/16/396091816.db2.gz NTJIKERYFQYLMJ-MLGOLLRUSA-N 0 0 320.345 0.392 50 0 DCAARN COCCN1C(=O)c2cccn2C[C@@H]1CNC(=O)c1ccoc1 ZINC000169778904 396091860 /nfs/dbraw/zinc/09/18/60/396091860.db2.gz GZBDETRUBXWSFG-ZDUSSCGKSA-N 0 0 317.345 0.982 50 0 DCAARN Cn1nc2n(c1=O)CCN(C(=O)c1ccc3c(c1)OCO3)CC2 ZINC000169783909 396092722 /nfs/dbraw/zinc/09/27/22/396092722.db2.gz JIUWGEZQROFDMA-UHFFFAOYSA-N 0 0 316.317 0.009 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)c2cc(Br)c[nH]2)CC1 ZINC000069873276 396092857 /nfs/dbraw/zinc/09/28/57/396092857.db2.gz HNJWZBFERZPGBU-VIFPVBQESA-N 0 0 316.199 0.916 50 0 DCAARN CC(C)NC(=O)[C@@H]1CCC(=O)N1C1CCN(C(=O)C2CC2)CC1 ZINC000169791932 396093414 /nfs/dbraw/zinc/09/34/14/396093414.db2.gz OVNDOCATYMTASG-AWEZNQCLSA-N 0 0 321.421 0.903 50 0 DCAARN O=C(COc1ccc(F)cc1)N1CCc2n[nH]c(=O)n2CC1 ZINC000169790032 396093418 /nfs/dbraw/zinc/09/34/18/396093418.db2.gz IIXSVKWJASYQKI-UHFFFAOYSA-N 0 0 306.297 0.174 50 0 DCAARN Cc1cccc(C)c1-n1nnnc1CN[C@H]1CCc2ncnn2C1 ZINC000069902513 396094852 /nfs/dbraw/zinc/09/48/52/396094852.db2.gz LEKVPOREJWTONZ-ZDUSSCGKSA-N 0 0 324.392 0.975 50 0 DCAARN CC(C)(C)c1nc(CN2CCO[C@H](Cn3cncn3)C2)no1 ZINC000069968816 396096321 /nfs/dbraw/zinc/09/63/21/396096321.db2.gz FAFYDLFZXSSHBM-NSHDSACASA-N 0 0 306.370 0.860 50 0 DCAARN CCCCn1nc(C(=O)N(CC(N)=O)C2CCCC2)ccc1=O ZINC000071821101 396116113 /nfs/dbraw/zinc/11/61/13/396116113.db2.gz BDFHUPLGYRTMIV-UHFFFAOYSA-N 0 0 320.393 0.914 50 0 DCAARN Cc1nc2ncnn2c(C)c1CCC(=O)N1CCNC(=O)CC1 ZINC000071839603 396117711 /nfs/dbraw/zinc/11/77/11/396117711.db2.gz OGUHGNQFLULPEM-UHFFFAOYSA-N 0 0 316.365 0.022 50 0 DCAARN CCc1nccn1[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000071870669 396120463 /nfs/dbraw/zinc/12/04/63/396120463.db2.gz KRPCLVGPNGOSNA-LLVKDONJSA-N 0 0 319.365 0.161 50 0 DCAARN O=C(NCc1ccc(Cn2cncn2)cc1)c1ccc[nH]c1=O ZINC000071889251 396123659 /nfs/dbraw/zinc/12/36/59/396123659.db2.gz VZIUWVGUDYTBBJ-UHFFFAOYSA-N 0 0 309.329 0.945 50 0 DCAARN CC(C)(C)CN(CCCO)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000071882512 396123892 /nfs/dbraw/zinc/12/38/92/396123892.db2.gz NPXGZYGMAUZYQJ-NSHDSACASA-N 0 0 306.428 0.614 50 0 DCAARN CCCOC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@@H](C)O ZINC000071921346 396125648 /nfs/dbraw/zinc/12/56/48/396125648.db2.gz NSCRCESGDOWOKW-PSASIEDQSA-N 0 0 307.393 0.729 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)Cc2cn3ccsc3n2)CC1 ZINC000072253335 396127476 /nfs/dbraw/zinc/12/74/76/396127476.db2.gz HEHTZOUTDNDEHY-LLVKDONJSA-N 0 0 308.407 0.463 50 0 DCAARN Cc1cc(C)c(CNC(=O)CCc2c(C)nc[nH]c2=O)c(=O)[nH]1 ZINC000072277348 396128948 /nfs/dbraw/zinc/12/89/48/396128948.db2.gz RUDLJGOHPDBSRI-UHFFFAOYSA-N 0 0 316.361 0.632 50 0 DCAARN COc1ccnc(N2CCN(Cc3nccn3C)[C@H](C)C2)n1 ZINC000072276321 396129039 /nfs/dbraw/zinc/12/90/39/396129039.db2.gz XLTOIYUIIYQDKP-GFCCVEGCSA-N 0 0 302.382 0.929 50 0 DCAARN O=C(Cc1ccc2c(c1)CCC2)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000072290711 396129722 /nfs/dbraw/zinc/12/97/22/396129722.db2.gz ZDIBTGCGTHJNDG-QGZVFWFLSA-N 0 0 313.357 0.528 50 0 DCAARN CCOC(=O)[C@H](C)OC(=O)CCn1nnc2ccccc2c1=O ZINC000072305091 396130725 /nfs/dbraw/zinc/13/07/25/396130725.db2.gz VRFIWROHPPNEAO-JTQLQIEISA-N 0 0 319.317 0.676 50 0 DCAARN CCc1nc([C@H]2CCCN2C(=O)[C@H]2CCS(=O)(=O)C2)no1 ZINC000072299276 396130953 /nfs/dbraw/zinc/13/09/53/396130953.db2.gz ZDSKYNWEOITXLA-VHSXEESVSA-N 0 0 313.379 0.730 50 0 DCAARN CNC(=O)[C@H](C)CN(C)C(=O)CN1C(=O)COc2ccccc21 ZINC000072311396 396131425 /nfs/dbraw/zinc/13/14/25/396131425.db2.gz LMINQPRXUVUMEO-LLVKDONJSA-N 0 0 319.361 0.253 50 0 DCAARN Cc1nnc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)s1 ZINC000069376946 396076251 /nfs/dbraw/zinc/07/62/51/396076251.db2.gz HXDHRJAZKRSGOC-LLVKDONJSA-N 0 0 322.394 0.383 50 0 DCAARN COCCc1noc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)n1 ZINC000069436243 396077880 /nfs/dbraw/zinc/07/78/80/396077880.db2.gz MGMNLQJNNIHCST-CYBMUJFWSA-N 0 0 321.381 0.664 50 0 DCAARN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCC(=O)OC ZINC000069454399 396078455 /nfs/dbraw/zinc/07/84/55/396078455.db2.gz FLNQEBALFLZMGG-HYHWUIIZSA-N 0 0 300.380 0.533 50 0 DCAARN O=C(CN1CCCS1(=O)=O)N1CCC[C@H](n2cccn2)C1 ZINC000069487822 396080233 /nfs/dbraw/zinc/08/02/33/396080233.db2.gz XUPUMZYVSSZBED-LBPRGKRZSA-N 0 0 312.395 0.082 50 0 DCAARN CC(C)OCCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 ZINC000069481961 396080462 /nfs/dbraw/zinc/08/04/62/396080462.db2.gz GNBVQNGCAGYZLE-OLZOCXBDSA-N 0 0 318.439 0.179 50 0 DCAARN NC(=O)CO[C@H]1CCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000075094053 396176095 /nfs/dbraw/zinc/17/60/95/396176095.db2.gz IKCVHGWQQCZYQR-HOCLYGCPSA-N 0 0 317.389 0.583 50 0 DCAARN COc1ccnc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000076044720 396192678 /nfs/dbraw/zinc/19/26/78/396192678.db2.gz LOQGRXVNRHOVRT-LBPRGKRZSA-N 0 0 303.322 0.730 50 0 DCAARN CCn1nc(C(=O)N2CCC[C@H]2c2noc(C)n2)ccc1=O ZINC000076043573 396192944 /nfs/dbraw/zinc/19/29/44/396192944.db2.gz ZZUKTLRYBXSHHI-NSHDSACASA-N 0 0 303.322 0.932 50 0 DCAARN CC(=O)N[C@@](C)(C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1)C1CC1 ZINC000076045277 396192990 /nfs/dbraw/zinc/19/29/90/396192990.db2.gz GZKVTVKRDSOZRH-SWLSCSKDSA-N 0 0 321.381 0.318 50 0 DCAARN C[C@H]1CN(C(=O)CCCn2cncn2)C[C@H]1N1CCOCC1 ZINC000076053120 396195013 /nfs/dbraw/zinc/19/50/13/396195013.db2.gz RDNKBOIDZDPPGV-UONOGXRCSA-N 0 0 307.398 0.237 50 0 DCAARN COCCOc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C(N)=O)cn1 ZINC000076069204 396195960 /nfs/dbraw/zinc/19/59/60/396195960.db2.gz KWQYFMMJLSGDNE-NWDGAFQWSA-N 0 0 322.365 0.882 50 0 DCAARN CCc1nnsc1C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000078788537 396254521 /nfs/dbraw/zinc/25/45/21/396254521.db2.gz UYISQXSDHSCOKT-VXGBXAGGSA-N 0 0 310.423 0.772 50 0 DCAARN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000079018993 396260018 /nfs/dbraw/zinc/26/00/18/396260018.db2.gz SILQXJXIBFQIOJ-SDDRHHMPSA-N 0 0 312.391 0.923 50 0 DCAARN O=C(CN1CCOc2ccccc2C1)N1CCOC[C@@H](O)C1 ZINC000077355583 396219455 /nfs/dbraw/zinc/21/94/55/396219455.db2.gz IEEAPWGLOOYCAE-AWEZNQCLSA-N 0 0 306.362 0.101 50 0 DCAARN Cn1cccc1-c1cc(C(=O)N2CCOC[C@H](CO)C2)[nH]n1 ZINC000077458955 396222695 /nfs/dbraw/zinc/22/26/95/396222695.db2.gz ZUBVEHBFERPFSB-NSHDSACASA-N 0 0 304.350 0.496 50 0 DCAARN COCCC[C@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000077472066 396224401 /nfs/dbraw/zinc/22/44/01/396224401.db2.gz IGZWAJFHKLUMKU-GFCCVEGCSA-N 0 0 309.366 0.344 50 0 DCAARN O=C(CCn1c(=O)[nH]c2ccccc21)N1CCOC[C@H](CO)C1 ZINC000077506188 396224616 /nfs/dbraw/zinc/22/46/16/396224616.db2.gz ZRIAFQPFVUFKHJ-LBPRGKRZSA-N 0 0 319.361 0.187 50 0 DCAARN COc1cc2c(nn1)CCN(CC(=O)Nc1nncs1)C2 ZINC000083925426 396316948 /nfs/dbraw/zinc/31/69/48/396316948.db2.gz VHLJGGIGVKMWDI-UHFFFAOYSA-N 0 0 306.351 0.334 50 0 DCAARN O=C(CNC(=O)c1ccccn1)Nc1nnc(C2CCC2)[nH]1 ZINC000184585566 396299859 /nfs/dbraw/zinc/29/98/59/396299859.db2.gz KZTDOCMGUUSSAD-UHFFFAOYSA-N 0 0 300.322 0.836 50 0 DCAARN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1cn[nH]c1 ZINC000270263154 396463881 /nfs/dbraw/zinc/46/38/81/396463881.db2.gz QWZBBIFRXMATOQ-CLAHSXSESA-N 0 0 305.338 0.307 50 0 DCAARN COC(=O)[C@@H]1N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]12 ZINC000526056050 396531741 /nfs/dbraw/zinc/53/17/41/396531741.db2.gz IMQDAAWGDZBTAQ-QNWHQSFQSA-N 0 0 302.330 0.412 50 0 DCAARN COC[C@H](C)NC(=O)C1CCN(C(=O)c2cc(N)ccn2)CC1 ZINC000584885123 396632261 /nfs/dbraw/zinc/63/22/61/396632261.db2.gz HOVQKHDCFNUYFF-NSHDSACASA-N 0 0 320.393 0.667 50 0 DCAARN CNC(=O)c1noc(CNC(=O)N(C)[C@H](C)c2cccnc2)n1 ZINC000584886453 396632577 /nfs/dbraw/zinc/63/25/77/396632577.db2.gz SMNQGORKXDFFNJ-SECBINFHSA-N 0 0 318.337 0.727 50 0 DCAARN O=C([C@@H]1CCOC1)N1CCN(CCc2ccccc2)C(=O)C1 ZINC000584888742 396633000 /nfs/dbraw/zinc/63/30/00/396633000.db2.gz XKVYMHHEJLLEQC-OAHLLOKOSA-N 0 0 302.374 0.936 50 0 DCAARN Nc1cc(=O)[nH]c(CCn2cnc3ccc(F)cc3c2=O)n1 ZINC000584889713 396633365 /nfs/dbraw/zinc/63/33/65/396633365.db2.gz WEFSBQWVQOESPZ-UHFFFAOYSA-N 0 0 301.281 0.856 50 0 DCAARN O=C(CN1CCC[C@H](O)C1)NCCc1cn2ccccc2n1 ZINC000584892335 396633794 /nfs/dbraw/zinc/63/37/94/396633794.db2.gz JNZHRKPCVTVIMP-AWEZNQCLSA-N 0 0 302.378 0.450 50 0 DCAARN CCCOC[C@H]1CCN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)C1 ZINC000584892615 396634150 /nfs/dbraw/zinc/63/41/50/396634150.db2.gz AHUAOEOCMRXAFG-LBPRGKRZSA-N 0 0 309.366 0.532 50 0 DCAARN Cc1ccc([C@@H](C)NC(=O)CN2C(=O)NC(C)(C)C2=O)cn1 ZINC000584893152 396635067 /nfs/dbraw/zinc/63/50/67/396635067.db2.gz XWBSAKRLPYMZDF-SNVBAGLBSA-N 0 0 304.350 0.898 50 0 DCAARN CCCN1C(=O)N[C@H](CC(=O)N(C)CC2(CO)CCC2)C1=O ZINC000584900186 396636542 /nfs/dbraw/zinc/63/65/42/396636542.db2.gz HLKOSNBEOYVVTB-LLVKDONJSA-N 0 0 311.382 0.328 50 0 DCAARN COCCn1cnnc1CN(C)C(=O)c1cc(C)nc(C)n1 ZINC000584901576 396636830 /nfs/dbraw/zinc/63/68/30/396636830.db2.gz BLIZZQIRJGUQTA-UHFFFAOYSA-N 0 0 304.354 0.604 50 0 DCAARN O=C(CN1CCC[C@@H](O)C1)NCC1CCN(C(=O)C2CC2)CC1 ZINC000584903538 396636922 /nfs/dbraw/zinc/63/69/22/396636922.db2.gz XASWKUYQTPZYJG-OAHLLOKOSA-N 0 0 323.437 0.208 50 0 DCAARN COCCN1C[C@H](CNC(=O)c2ccc(O)cc2C)CC1=O ZINC000584903057 396637301 /nfs/dbraw/zinc/63/73/01/396637301.db2.gz NHCNSTCYNDSCCA-LBPRGKRZSA-N 0 0 306.362 0.925 50 0 DCAARN Cc1cc(=O)[nH]c(CCNC(=O)c2c(C)cc(C)n(C)c2=O)n1 ZINC000584903540 396637391 /nfs/dbraw/zinc/63/73/91/396637391.db2.gz BTBHUDDHFNEZSU-UHFFFAOYSA-N 0 0 316.361 0.779 50 0 DCAARN O=C(COc1ccccc1F)N[C@H](CO)[C@H](O)c1cccnc1 ZINC000585134058 396640838 /nfs/dbraw/zinc/64/08/38/396640838.db2.gz BSXIKIOTQVUZNA-CZUORRHYSA-N 0 0 320.320 0.810 50 0 DCAARN Cc1nccc(OC2CCN(C(=O)N3CCN(C)CC3)CC2)n1 ZINC000585147020 396642221 /nfs/dbraw/zinc/64/22/21/396642221.db2.gz PJZVFSZTNMVTBJ-UHFFFAOYSA-N 0 0 319.409 0.996 50 0 DCAARN CCO[C@H](CS(=O)(=O)N1CC(=O)N(C)[C@H](C)C1)C1CC1 ZINC000625189375 396798592 /nfs/dbraw/zinc/79/85/92/396798592.db2.gz QUDMOYWZBCCCHS-ZYHUDNBSSA-N 0 0 304.412 0.294 50 0 DCAARN NC(=O)c1coc(CNC(=O)Cc2ccc3c(c2)CCCO3)n1 ZINC000617487251 396735193 /nfs/dbraw/zinc/73/51/93/396735193.db2.gz SWEBYHZFNQMEMS-UHFFFAOYSA-N 0 0 315.329 0.957 50 0 DCAARN Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2ncccc2F)cn1 ZINC000597555336 397013850 /nfs/dbraw/zinc/01/38/50/397013850.db2.gz OJQBERANHDDVDP-AMXDTQDGSA-N 0 0 322.365 0.900 50 0 DCAARN O=C(C[C@@H]1CCOC1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000365467987 397284165 /nfs/dbraw/zinc/28/41/65/397284165.db2.gz MRAMGCRKKHCSGQ-ZDUSSCGKSA-N 0 0 310.394 0.510 50 0 DCAARN O=C(Cc1cccnc1)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000390832272 397302857 /nfs/dbraw/zinc/30/28/57/397302857.db2.gz YHXPGMBAUSORAQ-ZDUSSCGKSA-N 0 0 323.360 0.457 50 0 DCAARN O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1cscn1 ZINC000390829302 397302876 /nfs/dbraw/zinc/30/28/76/397302876.db2.gz DJMRWDOHFKCQFR-VIFPVBQESA-N 0 0 315.362 0.590 50 0 DCAARN CC(C)C(=O)N1CCc2nnc([C@@H]3C[C@@H](O)CN3C)n2CC1 ZINC000409419595 397359188 /nfs/dbraw/zinc/35/91/88/397359188.db2.gz NKUGSBDKDSCXGC-NEPJUHHUSA-N 0 0 307.398 0.056 50 0 DCAARN Cn1nc(CNC(=O)c2cc(C3CC3)n[nH]2)c2c1CCN(C)C2 ZINC000409421230 397359575 /nfs/dbraw/zinc/35/95/75/397359575.db2.gz OYEDTGNCOCHYOG-UHFFFAOYSA-N 0 0 314.393 0.939 50 0 DCAARN COC(=O)c1cnc(CN2CCO[C@]3(CCCOC3)C2)cn1 ZINC000599412229 397434425 /nfs/dbraw/zinc/43/44/25/397434425.db2.gz HZUSMECPCYNEFM-OAHLLOKOSA-N 0 0 307.350 0.645 50 0 DCAARN C/C=C\C[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000606441235 397681289 /nfs/dbraw/zinc/68/12/89/397681289.db2.gz JDZQOTJNNSTDOK-DLGQBQFBSA-N 0 0 324.402 0.578 50 0 DCAARN CO[C@@H]1C[C@H](OC(C)=O)[C@@H]([C@H](COC(C)=O)OC(C)=O)O1 ZINC000025627557 285863876 /nfs/dbraw/zinc/86/38/76/285863876.db2.gz UMNNUAUVUHIZGG-CYDGBPFRSA-N 0 0 304.295 0.174 50 0 DCAARN CS(=O)(=O)N1C[C@H](C(=O)N2CCCC2)Oc2ccccc21 ZINC000032497792 286612736 /nfs/dbraw/zinc/61/27/36/286612736.db2.gz ZNOOOXUEPLEADF-CYBMUJFWSA-N 0 0 310.375 0.836 50 0 DCAARN O=C(NCc1cscn1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111846172 158142118 /nfs/dbraw/zinc/14/21/18/158142118.db2.gz AHTVLHIUWBYCAV-GFCCVEGCSA-N 0 0 307.379 0.950 50 0 DCAARN O=C(c1ccon1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000329108758 159063406 /nfs/dbraw/zinc/06/34/06/159063406.db2.gz PQTZMOYPGNACSY-GHMZBOCLSA-N 0 0 314.363 0.483 50 0 DCAARN Cn1cc(CN2CCCN(C(=O)CCn3ccnn3)CC2)cn1 ZINC000329385819 159088089 /nfs/dbraw/zinc/08/80/89/159088089.db2.gz SDOIJULNJPZUQV-UHFFFAOYSA-N 0 0 317.397 0.136 50 0 DCAARN CCOC[C@H]1CCCN(C(=O)CCS(=O)(=O)N(C)C)C1 ZINC000330562121 159193807 /nfs/dbraw/zinc/19/38/07/159193807.db2.gz TUNPXDFYMUDMDD-LBPRGKRZSA-N 0 0 306.428 0.543 50 0 DCAARN Cc1cnccc1NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000120384152 286951552 /nfs/dbraw/zinc/95/15/52/286951552.db2.gz SFLWKYILDXVNJQ-LLVKDONJSA-N 0 0 312.395 0.793 50 0 DCAARN CCCn1c(=O)[nH]nc1SCC(=O)N[C@H](C(C)=O)C(C)C ZINC000014567012 415150453 /nfs/dbraw/zinc/15/04/53/415150453.db2.gz OELMDWDXECMJLB-NSHDSACASA-N 0 0 314.411 0.803 50 0 DCAARN CO[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000016951492 415153817 /nfs/dbraw/zinc/15/38/17/415153817.db2.gz RTVWBDNQHISFHI-HVWSPFAKSA-N 0 0 304.295 0.173 50 0 DCAARN CC[C@H](C)[C@@H](NC(N)=O)C(=O)NCC(=O)OCc1ccccc1 ZINC000025398485 415162876 /nfs/dbraw/zinc/16/28/76/415162876.db2.gz AXRTXSLLBAMENN-SMDDNHRTSA-N 0 0 321.377 0.929 50 0 DCAARN NC(=O)[C@@H](c1ccccc1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000025318731 415162959 /nfs/dbraw/zinc/16/29/59/415162959.db2.gz BETKBAVZZQQIIQ-MRXNPFEDSA-N 0 0 316.405 0.109 50 0 DCAARN CC(C)Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000000272524 415125794 /nfs/dbraw/zinc/12/57/94/415125794.db2.gz VGTRQATWMLCOAZ-UHFFFAOYSA-N 0 0 308.386 0.365 50 0 DCAARN COc1cccc(C(=O)Nc2cn(C)nc2C(N)=O)c1OC ZINC000002799423 415126650 /nfs/dbraw/zinc/12/66/50/415126650.db2.gz NGJCHTRFAFWNSK-UHFFFAOYSA-N 0 0 304.306 0.789 50 0 DCAARN O=C1CN(c2cnn(-c3ccccc3)c(=O)c2Cl)CCN1 ZINC000003566583 415128358 /nfs/dbraw/zinc/12/83/58/415128358.db2.gz QTUIVQIRMOHORO-UHFFFAOYSA-N 0 0 304.737 0.822 50 0 DCAARN COc1ccccc1[C@H]1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C ZINC000004502185 415131371 /nfs/dbraw/zinc/13/13/71/415131371.db2.gz LUPYKSNPCVYYFY-SNVBAGLBSA-N 0 0 315.329 0.567 50 0 DCAARN O=c1[nH]c(SCc2ccccn2)nc2c1cnn2CCO ZINC000007418103 415140549 /nfs/dbraw/zinc/14/05/49/415140549.db2.gz NXLJLDOYQJORNE-UHFFFAOYSA-N 0 0 303.347 0.799 50 0 DCAARN NC(=O)Cn1c(CN2CCCCC2)nc2ccccc2c1=O ZINC000007442990 415142283 /nfs/dbraw/zinc/14/22/83/415142283.db2.gz DEYLRAYUGULWLP-UHFFFAOYSA-N 0 0 300.362 0.868 50 0 DCAARN CCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CC)c(=O)n2C ZINC000012231408 415147862 /nfs/dbraw/zinc/14/78/62/415147862.db2.gz FSRUOGUFNRKSKN-UHFFFAOYSA-N 0 0 316.365 0.739 50 0 DCAARN CCOC(=O)C(NC(=O)c1ccc2c(c1)OCO2)C(=O)OCC ZINC000025973431 415165745 /nfs/dbraw/zinc/16/57/45/415165745.db2.gz YVNBLAHDVKPLRT-UHFFFAOYSA-N 0 0 323.301 0.640 50 0 DCAARN CN(CCN1C(=O)NC(C)(C)C1=O)CC(=O)NCc1ccco1 ZINC000026904150 415167374 /nfs/dbraw/zinc/16/73/74/415167374.db2.gz ALFVLFZJWYLANI-UHFFFAOYSA-N 0 0 322.365 0.158 50 0 DCAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(N)=O)CC2)c1C ZINC000027064772 415169082 /nfs/dbraw/zinc/16/90/82/415169082.db2.gz MSHLJQMHSROODD-UHFFFAOYSA-N 0 0 307.350 0.756 50 0 DCAARN Cc1noc(C)c1CN1CCN(S(=O)(=O)N(C)C)CC1 ZINC000027428087 415172552 /nfs/dbraw/zinc/17/25/52/415172552.db2.gz IWYORDSKVZTQBU-UHFFFAOYSA-N 0 0 302.400 0.215 50 0 DCAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccoc2)s1 ZINC000040218143 415192946 /nfs/dbraw/zinc/19/29/46/415192946.db2.gz JOAKQDRHMBJGDV-UHFFFAOYSA-N 0 0 300.361 0.961 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1F ZINC000030288468 415183175 /nfs/dbraw/zinc/18/31/75/415183175.db2.gz QALDNPQYWOOBDH-UHFFFAOYSA-N 0 0 316.354 0.687 50 0 DCAARN CC(C)[C@H](NC(N)=O)C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000044938933 415234960 /nfs/dbraw/zinc/23/49/60/415234960.db2.gz DFBRVHMWESXCSE-AWEZNQCLSA-N 0 0 319.409 0.991 50 0 DCAARN CC(C)c1noc(CCC(=O)NC[C@@H]2CCS(=O)(=O)C2)n1 ZINC000044918582 415234986 /nfs/dbraw/zinc/23/49/86/415234986.db2.gz YVUHPALRZYQORE-JTQLQIEISA-N 0 0 315.395 0.677 50 0 DCAARN O=C(NCCOc1cccc(F)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000044946239 415235831 /nfs/dbraw/zinc/23/58/31/415235831.db2.gz MAROTGYPFZZRJQ-LLVKDONJSA-N 0 0 316.354 0.691 50 0 DCAARN Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@H](C)S(C)(=O)=O)n1 ZINC000044953240 415239352 /nfs/dbraw/zinc/23/93/52/415239352.db2.gz YOYXBACWDCIHFV-CABZTGNLSA-N 0 0 301.412 0.685 50 0 DCAARN NC(=O)C1CCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000045131314 415242887 /nfs/dbraw/zinc/24/28/87/415242887.db2.gz ZMKNZMHNIXJKEZ-ZDUSSCGKSA-N 0 0 317.393 0.417 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)OC[C@H]2C)n(C)c1 ZINC000045449074 415247916 /nfs/dbraw/zinc/24/79/16/415247916.db2.gz IFOVNAKLQOYTNM-ZJUUUORDSA-N 0 0 315.395 0.183 50 0 DCAARN Cc1ccc2nnc(C(=O)NCCCN3CCOCC3)nc2c1 ZINC000046088643 415254661 /nfs/dbraw/zinc/25/46/61/415254661.db2.gz JARYGYXZBNGOQT-UHFFFAOYSA-N 0 0 315.377 0.785 50 0 DCAARN CN(C)CC(=O)Nc1cccc(CNC(=O)c2cnn(C)c2)c1 ZINC000046039957 415254687 /nfs/dbraw/zinc/25/46/87/415254687.db2.gz GAAMRDIOZVFHEB-UHFFFAOYSA-N 0 0 315.377 0.850 50 0 DCAARN C[C@H](CNC(=O)Cn1ccc(C(F)(F)F)n1)N1CCOCC1 ZINC000046269345 415259155 /nfs/dbraw/zinc/25/91/55/415259155.db2.gz GVUPSUSJDCNIIZ-SNVBAGLBSA-N 0 0 320.315 0.739 50 0 DCAARN C[C@@H](CNC(=O)c1ccccc1OCC(N)=O)N1CCOCC1 ZINC000046268752 415259239 /nfs/dbraw/zinc/25/92/39/415259239.db2.gz KUZZNAKDWUAQCG-LBPRGKRZSA-N 0 0 321.377 0.001 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)NCCNc2ncccn2)CC1=O ZINC000047104951 415267970 /nfs/dbraw/zinc/26/79/70/415267970.db2.gz RFMXPNHESMMEEB-LBPRGKRZSA-N 0 0 305.382 0.509 50 0 DCAARN CCC1(CC)NC(=O)N(CC(=O)Nc2c[nH]ccc2=O)C1=O ZINC000047672339 415279835 /nfs/dbraw/zinc/27/98/35/415279835.db2.gz UHRJKXHEOXIEKM-UHFFFAOYSA-N 0 0 306.322 0.424 50 0 DCAARN C[C@H](C(=O)NCC1(N2CCOCC2)CCCCC1)n1cncn1 ZINC000044576759 415221414 /nfs/dbraw/zinc/22/14/14/415221414.db2.gz AHWDRIIRRLTCKV-CQSZACIVSA-N 0 0 321.425 0.990 50 0 DCAARN Cc1nc(C)c(CC(=O)NC[C@H]2CCS(=O)(=O)C2)s1 ZINC000044457252 415222438 /nfs/dbraw/zinc/22/24/38/415222438.db2.gz UISBSBPLOUOLAY-SNVBAGLBSA-N 0 0 302.421 0.853 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)Nc2ccccc21 ZINC000044723176 415226681 /nfs/dbraw/zinc/22/66/81/415226681.db2.gz RTTSAQRDKGFSDF-JQWIXIFHSA-N 0 0 322.386 0.663 50 0 DCAARN O=C(NCCc1cccc(F)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000044893480 415228602 /nfs/dbraw/zinc/22/86/02/415228602.db2.gz QSIHNSHFNFSTTH-LBPRGKRZSA-N 0 0 300.355 0.855 50 0 DCAARN COC(=O)c1ccccc1OCC(=O)N1CCN(C(C)=O)CC1 ZINC000044866019 415229300 /nfs/dbraw/zinc/22/93/00/415229300.db2.gz ZIEHGLAUSAAPTB-UHFFFAOYSA-N 0 0 320.345 0.543 50 0 DCAARN O=C(CN1CCN([C@@H]2CCOC2=O)CC1)NCc1ccccc1 ZINC000044894499 415229553 /nfs/dbraw/zinc/22/95/53/415229553.db2.gz VNBWWRCGLXUBMV-OAHLLOKOSA-N 0 0 317.389 0.236 50 0 DCAARN Cc1cc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c(C)s1 ZINC000044868336 415229727 /nfs/dbraw/zinc/22/97/27/415229727.db2.gz JJBYNXZQXPFXSO-VIFPVBQESA-N 0 0 309.434 0.830 50 0 DCAARN CNC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000044892209 415229937 /nfs/dbraw/zinc/22/99/37/415229937.db2.gz DQSZPCKBTUPTKZ-UHFFFAOYSA-N 0 0 313.379 0.137 50 0 DCAARN Cc1c(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cnn1C ZINC000044911371 415230090 /nfs/dbraw/zinc/23/00/90/415230090.db2.gz BQAPPMPZAQYJIW-HIFRSBDPSA-N 0 0 322.409 0.196 50 0 DCAARN CC(=O)N1CCC(C(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000044896636 415230355 /nfs/dbraw/zinc/23/03/55/415230355.db2.gz AODVGLOOIPTCMQ-UHFFFAOYSA-N 0 0 317.393 0.384 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)Cc1ccco1 ZINC000044913014 415230461 /nfs/dbraw/zinc/23/04/61/415230461.db2.gz CMXMLPSAUHICLC-SECBINFHSA-N 0 0 305.334 0.645 50 0 DCAARN CN(C)[C@H](CNS(=O)(=O)N1CCOCC1)c1ccco1 ZINC000044896168 415230834 /nfs/dbraw/zinc/23/08/34/415230834.db2.gz UCVIHAICZIWVIH-LLVKDONJSA-N 0 0 303.384 0.049 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)N(C)Cc2cnn(C)c2)C[C@H](C)O1 ZINC000044895820 415231083 /nfs/dbraw/zinc/23/10/83/415231083.db2.gz RZSJGWZZGXPFAR-PHIMTYICSA-N 0 0 302.400 0.206 50 0 DCAARN Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N1CCOCC1 ZINC000048298497 415288508 /nfs/dbraw/zinc/28/85/08/415288508.db2.gz LJQJJCKFJPICNN-UHFFFAOYSA-N 0 0 314.345 0.542 50 0 DCAARN Cc1csc(N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)n1 ZINC000048165829 415288575 /nfs/dbraw/zinc/28/85/75/415288575.db2.gz PJJCEFJABDHCIG-GFCCVEGCSA-N 0 0 322.434 0.969 50 0 DCAARN CC(C)C[C@H](CNC(=O)NCc1cc[nH]n1)N1CCOCC1 ZINC000048331464 415290283 /nfs/dbraw/zinc/29/02/83/415290283.db2.gz HQSCKFSIDPVMOU-CQSZACIVSA-N 0 0 309.414 0.956 50 0 DCAARN NC(=O)c1ccc(S(=O)(=O)NCCN2CCCCC2)cc1 ZINC000048309851 415292046 /nfs/dbraw/zinc/29/20/46/415292046.db2.gz KXFJYIAMDQCCLR-UHFFFAOYSA-N 0 0 311.407 0.550 50 0 DCAARN C[C@H](CN1CCOCC1)NC1=NS(=O)(=O)c2ccccc21 ZINC000048336694 415292104 /nfs/dbraw/zinc/29/21/04/415292104.db2.gz RJYGYIJVQYVMGK-LLVKDONJSA-N 0 0 309.391 0.446 50 0 DCAARN Cn1cnnc1[C@H]1CCCN(c2ncnc3c2CN(C)CC3)C1 ZINC000065475866 415356337 /nfs/dbraw/zinc/35/63/37/415356337.db2.gz ZTLAPFYSEDSHAR-LBPRGKRZSA-N 0 0 313.409 0.977 50 0 DCAARN CCSCCOC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000048764806 415295863 /nfs/dbraw/zinc/29/58/63/415295863.db2.gz QGFYWRDZCGXBGL-UHFFFAOYSA-N 0 0 316.404 0.780 50 0 DCAARN Cn1ccc(C(=O)NCc2cccc(Cn3cncn3)c2)cc1=O ZINC000049363065 415304067 /nfs/dbraw/zinc/30/40/67/415304067.db2.gz FVINXOLCPIGHMS-UHFFFAOYSA-N 0 0 323.356 0.955 50 0 DCAARN NC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000071829248 415409449 /nfs/dbraw/zinc/40/94/49/415409449.db2.gz BFWDDZMVZGGZHA-HUUCEWRRSA-N 0 0 301.390 0.810 50 0 DCAARN NC(=O)CNC(=O)c1ccc(I)c(F)c1 ZINC000067246707 415375340 /nfs/dbraw/zinc/37/53/40/415375340.db2.gz BJZYBUHEAIVYKW-UHFFFAOYSA-N 0 0 322.077 0.645 50 0 DCAARN CN(C)c1ncccc1CNC(=O)c1cnc2c(c1)nnn2C ZINC000067603768 415380566 /nfs/dbraw/zinc/38/05/66/415380566.db2.gz XUDOENBGSMMAEN-UHFFFAOYSA-N 0 0 311.349 0.754 50 0 DCAARN O=C(NC[C@@H](O)CO)c1cc(COc2cccc(F)c2)n[nH]1 ZINC000067674127 415380835 /nfs/dbraw/zinc/38/08/35/415380835.db2.gz NCICABKPRYALJI-LLVKDONJSA-N 0 0 309.297 0.211 50 0 DCAARN Cc1ccc(F)cc1NC(=O)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC000067689230 415387374 /nfs/dbraw/zinc/38/73/74/415387374.db2.gz GFLLMOHRDOJVHC-NSHDSACASA-N 0 0 307.325 0.858 50 0 DCAARN Cc1ccccc1CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000084243933 415492017 /nfs/dbraw/zinc/49/20/17/415492017.db2.gz WVOCCNFSZVPIKU-JKSUJKDBSA-N 0 0 324.446 0.271 50 0 DCAARN COc1ccc(O[C@H](C)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000075106076 415433058 /nfs/dbraw/zinc/43/30/58/415433058.db2.gz YINZTGNGXRKTJG-VXGBXAGGSA-N 0 0 319.361 0.699 50 0 DCAARN O=C(NCCCN1CCCC1=O)c1coc(NC(=O)C2CC2)n1 ZINC000075157936 415436776 /nfs/dbraw/zinc/43/67/76/415436776.db2.gz HVQNLXCYXQLMHH-UHFFFAOYSA-N 0 0 320.349 0.765 50 0 DCAARN Cc1nc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCCC2)oc1C ZINC000096407661 415575546 /nfs/dbraw/zinc/57/55/46/415575546.db2.gz XPTCILJDRLOWOT-CHWSQXEVSA-N 0 0 313.423 0.642 50 0 DCAARN COc1cccc2c1OC[C@@H](CNS(=O)(=O)N(C)C)C2 ZINC000095368844 415551888 /nfs/dbraw/zinc/55/18/88/415551888.db2.gz GEVBNSXYYBJIBM-SNVBAGLBSA-N 0 0 300.380 0.642 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000095360760 415554718 /nfs/dbraw/zinc/55/47/18/415554718.db2.gz KLYSZPIUXVRPKJ-OCCSQVGLSA-N 0 0 317.389 0.637 50 0 DCAARN CNC(=O)[C@H](NC(=O)Nc1ccc(=O)n(C)c1)c1ccccc1 ZINC000095955731 415564175 /nfs/dbraw/zinc/56/41/75/415564175.db2.gz HHVHPWOWHNPUQP-CQSZACIVSA-N 0 0 314.345 0.994 50 0 DCAARN O=C([C@@H]1CCCN(c2ccc3nnnn3n2)C1)N1CCCC1 ZINC000095476935 415564406 /nfs/dbraw/zinc/56/44/06/415564406.db2.gz UJDZZFQLYWSEAS-LLVKDONJSA-N 0 0 301.354 0.358 50 0 DCAARN COC(=O)[C@@H](NC(=O)c1cccc(-n2cccn2)c1)[C@H](C)O ZINC000095945604 415565765 /nfs/dbraw/zinc/56/57/65/415565765.db2.gz SJCBNVHPZLZNTO-GWCFXTLKSA-N 0 0 303.318 0.525 50 0 DCAARN Cc1[nH]cc(C(=O)NC[C@H](O)C2CC2)c(=O)c1Br ZINC000096004816 415566558 /nfs/dbraw/zinc/56/65/58/415566558.db2.gz HUKBSXQNKURBJF-VIFPVBQESA-N 0 0 315.167 0.947 50 0 DCAARN COCc1nn(CCN2C(=O)COc3ccccc32)c(=O)o1 ZINC000096003435 415567567 /nfs/dbraw/zinc/56/75/67/415567567.db2.gz VAAGGWRZQDGITQ-UHFFFAOYSA-N 0 0 305.290 0.408 50 0 DCAARN Cn1cnc(S(=O)(=O)NC[C@@]2(O)CCc3ccccc32)c1 ZINC000096025816 415570767 /nfs/dbraw/zinc/57/07/67/415570767.db2.gz VTMVLBMYCZYFNF-AWEZNQCLSA-N 0 0 307.375 0.532 50 0 DCAARN O=C(Cn1cn[nH]c1=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000096007119 415571945 /nfs/dbraw/zinc/57/19/45/415571945.db2.gz ZMMQVPTYDOSNKV-GFCCVEGCSA-N 0 0 319.340 0.496 50 0 DCAARN O=C(CN[C@H](C1CCOCC1)C(F)(F)F)N1CCOCC1 ZINC000096007177 415572123 /nfs/dbraw/zinc/57/21/23/415572123.db2.gz YUVFDLFZQPMGQU-GFCCVEGCSA-N 0 0 310.316 0.792 50 0 DCAARN NC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000102835451 415603419 /nfs/dbraw/zinc/60/34/19/415603419.db2.gz YYJYBDALELZVOA-GXFFZTMASA-N 0 0 319.336 0.655 50 0 DCAARN C[C@H](O)[C@@H]1NC(=O)N(c2ccc3c(c2)NC(=O)[C@H](C)O3)C1=O ZINC000333300224 415604525 /nfs/dbraw/zinc/60/45/25/415604525.db2.gz BSKHHZFGVRIINQ-HFJPGXAFSA-N 0 0 305.290 0.212 50 0 DCAARN CN(C)c1nc(N)nc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)n1 ZINC000097013146 415579590 /nfs/dbraw/zinc/57/95/90/415579590.db2.gz JULNLXXPQISSIH-CBAPKCEASA-N 0 0 320.319 0.407 50 0 DCAARN O=C(Nc1ccc(-n2ccnn2)cc1)N[C@H]1CCc2ncnn2C1 ZINC000097104066 415582328 /nfs/dbraw/zinc/58/23/28/415582328.db2.gz VMGYCWVKNOYXQK-LBPRGKRZSA-N 0 0 324.348 0.995 50 0 DCAARN Cc1nccn1-c1cncc(N2CCS(=O)(=O)[C@H](C)C2)n1 ZINC000097142340 415585263 /nfs/dbraw/zinc/58/52/63/415585263.db2.gz TWLHCCUXDNNZDY-SNVBAGLBSA-N 0 0 307.379 0.594 50 0 DCAARN CC(C)N1C(Br)=N[C@H]2[C@H]1C(=O)N(C)C(=O)N2C ZINC000098086600 415589410 /nfs/dbraw/zinc/58/94/10/415589410.db2.gz QZCQGBJAOFXFKU-NKWVEPMBSA-N 0 0 303.160 0.680 50 0 DCAARN O=C1[C@H]2ON3CCOC[C@H]3[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000100920570 415592892 /nfs/dbraw/zinc/59/28/92/415592892.db2.gz XYHVDHOGTZELOX-SRVKXCTJSA-N 0 0 308.721 0.844 50 0 DCAARN Cn1c2ccc(S(=O)(=O)NCCN3CC=CC3)cc2oc1=O ZINC000101416446 415593146 /nfs/dbraw/zinc/59/31/46/415593146.db2.gz ZSIFVLAXCQZIOS-UHFFFAOYSA-N 0 0 323.374 0.282 50 0 DCAARN O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CNC(=O)N1 ZINC000107580483 415667675 /nfs/dbraw/zinc/66/76/75/415667675.db2.gz UDEBEGXEHVLHES-NOZJJQNGSA-N 0 0 324.331 0.589 50 0 DCAARN O=C(NN1CCOCC1)[C@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000114877023 415724616 /nfs/dbraw/zinc/72/46/16/415724616.db2.gz GQHDWLUVXYGHSG-ZDUSSCGKSA-N 0 0 309.410 0.921 50 0 DCAARN COCc1nc(CN2CCNC(=O)[C@@H]2Cc2ccccc2)no1 ZINC000343915727 415781822 /nfs/dbraw/zinc/78/18/22/415781822.db2.gz XLYBGFMKRVMNJL-ZDUSSCGKSA-N 0 0 316.361 0.759 50 0 DCAARN O=C(NCCCn1ccnn1)[C@@H]1CCCCN1C(=O)C1CC1 ZINC000299764863 416066439 /nfs/dbraw/zinc/06/64/39/416066439.db2.gz UQVKRRNCTOMMLX-ZDUSSCGKSA-N 0 0 305.382 0.576 50 0 DCAARN Cn1cc([C@@H]2C[N@H+](CCc3ccccn3)C[C@@H]2CC(=O)[O-])nn1 ZINC000299776536 416066691 /nfs/dbraw/zinc/06/66/91/416066691.db2.gz CORRSIQIDJKHOK-GXTWGEPZSA-N 0 0 315.377 0.943 50 0 DCAARN CCCN1C[C@@H](C(=O)NCc2nc(C)cc(=O)[nH]2)CCC1=O ZINC000299776053 416067212 /nfs/dbraw/zinc/06/72/12/416067212.db2.gz KCVWBABJTMCRJI-NSHDSACASA-N 0 0 306.366 0.755 50 0 DCAARN O=C(c1scc2c1OCCO2)N1CCN(c2nc[nH]n2)CC1 ZINC000299775390 416067378 /nfs/dbraw/zinc/06/73/78/416067378.db2.gz FAQIXTOUYOIEMM-UHFFFAOYSA-N 0 0 321.362 0.600 50 0 DCAARN CC1(C)Cc2cc(CNC(=O)CN3C(=O)CNC3=O)ccc2O1 ZINC000299779153 416067384 /nfs/dbraw/zinc/06/73/84/416067384.db2.gz UIWJRFVITHGBEN-UHFFFAOYSA-N 0 0 317.345 0.568 50 0 DCAARN COc1cc2c(cc1CNC(=O)CN1CCOC1=O)OCCO2 ZINC000299791666 416068682 /nfs/dbraw/zinc/06/86/82/416068682.db2.gz FAABFGKXMYYMLJ-UHFFFAOYSA-N 0 0 322.317 0.535 50 0 DCAARN CC(C)c1cc(CN(C)C(=O)[C@H]2CCC(=O)NC(=O)N2)on1 ZINC000299788968 416068955 /nfs/dbraw/zinc/06/89/55/416068955.db2.gz VRFLRUHAEMVQLB-SNVBAGLBSA-N 0 0 308.338 0.745 50 0 DCAARN CN(CCc1nc2cc(F)ccc2[nH]1)C(=O)CCn1cnnn1 ZINC000299794553 416069524 /nfs/dbraw/zinc/06/95/24/416069524.db2.gz KKZZCCAYYUSLOQ-UHFFFAOYSA-N 0 0 317.328 0.780 50 0 DCAARN Cc1nn(C)cc1NC(=O)CN1CCC2(CN(C)C(=O)O2)CC1 ZINC000299789714 416069654 /nfs/dbraw/zinc/06/96/54/416069654.db2.gz ACWDQXADDPXUGE-UHFFFAOYSA-N 0 0 321.381 0.584 50 0 DCAARN Cn1ccn2ncc(C(=O)NCc3noc([C@H]4CCCO4)n3)c12 ZINC000299800765 416072036 /nfs/dbraw/zinc/07/20/36/416072036.db2.gz VYRABJNOULYZJR-SNVBAGLBSA-N 0 0 316.321 0.837 50 0 DCAARN Cc1cc(NC(=O)CN2CCN(CC3=CCCOC3)CC2)no1 ZINC000329015531 416145136 /nfs/dbraw/zinc/14/51/36/416145136.db2.gz QEHUKUZRWFGHRL-UHFFFAOYSA-N 0 0 320.393 0.886 50 0 DCAARN CCOCCN1CCN([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC000247130954 416332543 /nfs/dbraw/zinc/33/25/43/416332543.db2.gz KJXCXLCFZDPXLE-KGLIPLIRSA-N 0 0 321.425 0.846 50 0 DCAARN Cc1ccc(-c2nn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c(=S)o2)cc1 ZINC000248059809 416333130 /nfs/dbraw/zinc/33/31/30/416333130.db2.gz CWTKYAHLAKELJQ-LSCVPOLPSA-N 0 0 324.358 0.793 50 0 DCAARN COc1ccc(OC)c([C@H](C)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000252444253 416334525 /nfs/dbraw/zinc/33/45/25/416334525.db2.gz AYTDWXOWMXYDFL-ZWKOPEQDSA-N 0 0 315.391 0.512 50 0 DCAARN COC(=O)[C@H](C)NC(=O)Cn1nc(-c2ccco2)ccc1=O ZINC000252484083 416334653 /nfs/dbraw/zinc/33/46/53/416334653.db2.gz FNWWPWSBPHBFEY-VIFPVBQESA-N 0 0 305.290 0.181 50 0 DCAARN CN1C[C@H](C(=O)Nc2nnc(-c3cccnc3)s2)CC1=O ZINC000252507325 416334677 /nfs/dbraw/zinc/33/46/77/416334677.db2.gz WHEZRTUEYYFVDC-SECBINFHSA-N 0 0 303.347 1.017 50 0 DCAARN C[C@@]12CCCN1C(=O)N([C@@H]1CCN(CC(F)(F)F)C1=O)C2=O ZINC000253420073 416334783 /nfs/dbraw/zinc/33/47/83/416334783.db2.gz DCEMTGLOPJIZEK-PELKAZGASA-N 0 0 319.283 0.966 50 0 DCAARN COC(=O)c1cn(Cc2nnc3ccccn32)cc2c(=O)[nH]nc1-2 ZINC000263587471 416338340 /nfs/dbraw/zinc/33/83/40/416338340.db2.gz HHRXTIIBUQKKGR-UHFFFAOYSA-N 0 0 324.300 0.554 50 0 DCAARN O=C(CN1CCOC1=O)NC[C@H]1CCCN(c2ncccn2)C1 ZINC000215628503 416327288 /nfs/dbraw/zinc/32/72/88/416327288.db2.gz XDEKFHPSRCSYQG-GFCCVEGCSA-N 0 0 319.365 0.261 50 0 DCAARN CC(=O)N1CC(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)C1 ZINC000225575702 416327706 /nfs/dbraw/zinc/32/77/06/416327706.db2.gz LAWFJSNXAZTXTR-GJZGRUSLSA-N 0 0 306.337 0.938 50 0 DCAARN Cc1ccc(OC[C@@H](O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000241590546 416329974 /nfs/dbraw/zinc/32/99/74/416329974.db2.gz PFVAYWOZNQFHPX-KBPBESRZSA-N 0 0 313.419 0.854 50 0 DCAARN CCc1nc(C)cc(NCCC(=O)N2CCN(C(C)=O)CC2)n1 ZINC000242273678 416330344 /nfs/dbraw/zinc/33/03/44/416330344.db2.gz YEYKPRXOAGHSDL-UHFFFAOYSA-N 0 0 319.409 0.840 50 0 DCAARN Cn1ncc(N2CCN(CCn3cc(Cl)cn3)CC2)cc1=O ZINC000244723959 416330670 /nfs/dbraw/zinc/33/06/70/416330670.db2.gz MKZHKGPGBMWRQK-UHFFFAOYSA-N 0 0 322.800 0.452 50 0 DCAARN OCCn1ncc2c1CN(Cc1nc(-c3cccnc3)no1)C2 ZINC000244763912 416330947 /nfs/dbraw/zinc/33/09/47/416330947.db2.gz OXSUKGPVUWPBBW-UHFFFAOYSA-N 0 0 312.333 0.836 50 0 DCAARN CCNC(=O)CN(CC)S(=O)(=O)CCOCC1CCCC1 ZINC000416375138 416367453 /nfs/dbraw/zinc/36/74/53/416367453.db2.gz SLWCAYDKEPCTLL-UHFFFAOYSA-N 0 0 320.455 0.981 50 0 DCAARN CN(c1ccn(C)n1)S(=O)(=O)c1ccc2c(c1)nnn2C ZINC000585118823 416518887 /nfs/dbraw/zinc/51/88/87/416518887.db2.gz DDBKUGBLWJZBLA-UHFFFAOYSA-N 0 0 306.351 0.527 50 0 DCAARN Cc1cc(C[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)[nH]n1 ZINC000585114765 416519088 /nfs/dbraw/zinc/51/90/88/416519088.db2.gz XVPHUCPKQCAQBX-SECBINFHSA-N 0 0 311.411 0.978 50 0 DCAARN COC(=O)CCc1ccc(NC(=O)NCc2nc(N)n[nH]2)cc1 ZINC000585141316 416519550 /nfs/dbraw/zinc/51/95/50/416519550.db2.gz SOWPQNCAHNIBHM-UHFFFAOYSA-N 0 0 318.337 0.814 50 0 DCAARN Nc1n[nH]c(CCNC(=O)c2c[nH]nc2-c2ccccc2F)n1 ZINC000426724026 416780302 /nfs/dbraw/zinc/78/03/02/416780302.db2.gz RRMBWSSCUXKZEP-UHFFFAOYSA-N 0 0 315.312 0.889 50 0 DCAARN O=C(Cn1cccn1)N[C@@H]1CCc2nnc(C3CC3)n2CC1 ZINC000575543701 417538675 /nfs/dbraw/zinc/53/86/75/417538675.db2.gz BTUPRTGNRRYBCC-GFCCVEGCSA-N 0 0 300.366 0.873 50 0 DCAARN CN(C)c1nc(CNC(=O)c2ccsc2)nc(N(C)C)n1 ZINC000575606216 417540309 /nfs/dbraw/zinc/54/03/09/417540309.db2.gz GNDBZYNGVBYGFM-UHFFFAOYSA-N 0 0 306.395 0.995 50 0 DCAARN O=C(c1c[nH]c(=O)[nH]1)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575609352 417541612 /nfs/dbraw/zinc/54/16/12/417541612.db2.gz WKUAGKYHVYZYTM-UHFFFAOYSA-N 0 0 314.349 0.745 50 0 DCAARN CN1C(=O)C[S@](=O)C12CCN(C(=O)c1ccccc1F)CC2 ZINC000575315266 417528175 /nfs/dbraw/zinc/52/81/75/417528175.db2.gz WTCXFHUKCPHIMS-QFIPXVFZSA-N 0 0 324.377 0.979 50 0 DCAARN COCc1cc(NC(=O)NCc2nnn(C(C)(C)C)n2)ncn1 ZINC000654020641 418121956 /nfs/dbraw/zinc/12/19/56/418121956.db2.gz KFYNWXPWTFOKAB-UHFFFAOYSA-N 0 0 320.357 0.686 50 0 DCAARN CN(C)c1cc(C(=O)N2C[C@H](O)[C@H](CO)C2)c2ccccc2n1 ZINC000424061968 271396365 /nfs/dbraw/zinc/39/63/65/271396365.db2.gz UNSAIJXQPCQQJJ-NHYWBVRUSA-N 0 0 315.373 0.726 50 0 DCAARN CCOC[C@@H]1CN(C(=O)NC[C@H]2CCN(C)C(=O)C2)CCO1 ZINC000528027767 272629815 /nfs/dbraw/zinc/62/98/15/272629815.db2.gz RXTHYLTXJVOJPH-STQMWFEESA-N 0 0 313.398 0.302 50 0 DCAARN C/C=C\Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C ZINC000007999498 275732344 /nfs/dbraw/zinc/73/23/44/275732344.db2.gz DFQPZPOLTUQKKY-PLNGDYQASA-N 0 0 313.155 0.772 50 0 DCAARN COC(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O ZINC000004475808 277332266 /nfs/dbraw/zinc/33/22/66/277332266.db2.gz BBFKJCDXEQZUMX-UHFFFAOYSA-N 0 0 302.265 0.894 50 0 DCAARN CC1(C)OCC2(CN(C(=O)c3cc4n(n3)CCCO4)C2)CO1 ZINC000090626807 278411055 /nfs/dbraw/zinc/41/10/55/278411055.db2.gz WUIORVPFFQMVFK-UHFFFAOYSA-N 0 0 307.350 0.891 50 0 DCAARN Cc1nc2c(c(=O)n1C)CN(CCC(=O)Nc1nccs1)C2 ZINC000299796131 279110688 /nfs/dbraw/zinc/11/06/88/279110688.db2.gz MYGHYWHFAJXTSG-UHFFFAOYSA-N 0 0 319.390 0.890 50 0 DCAARN C[C@@H]1CN(C)c2ccccc2CN1C(=O)CN1CCNCC1=O ZINC000237498792 288108396 /nfs/dbraw/zinc/10/83/96/288108396.db2.gz VPJHBQWTVDEGLD-CYBMUJFWSA-N 0 0 316.405 0.285 50 0 DCAARN O=S1(=O)CC[C@H](N2CCN(c3ncc(Cl)cn3)CC2)C1 ZINC000253419889 280350809 /nfs/dbraw/zinc/35/08/09/280350809.db2.gz SWDAUTFJKYGQMS-NSHDSACASA-N 0 0 316.814 0.439 50 0 DCAARN CN(C(=O)[C@@H]1Cc2ccccc2C(=O)O1)[C@H]1CCS(=O)(=O)C1 ZINC000044891684 281841873 /nfs/dbraw/zinc/84/18/73/281841873.db2.gz JOWCZJYKRAEFGS-AAEUAGOBSA-N 0 0 323.370 0.414 50 0 DCAARN CCn1cc([C@H]2C(C(N)=O)=C(C)N=C3SCC(=O)N32)cn1 ZINC000002730126 288709083 /nfs/dbraw/zinc/70/90/83/288709083.db2.gz WOSKQNIAMNDTLS-NSHDSACASA-N 0 0 305.363 0.648 50 0 DCAARN C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1[nH]cnc1C(=O)[O-] ZINC000097604320 289139610 /nfs/dbraw/zinc/13/96/10/289139610.db2.gz CTWMZDVMPHBMHA-JTQLQIEISA-N 0 0 310.354 0.291 50 0 DCAARN C[N@@H+]1CCN2CCN(Cc3ccc(O)c(C(=O)[O-])c3)C[C@@H]2C1 ZINC000065371998 290060733 /nfs/dbraw/zinc/06/07/33/290060733.db2.gz FBLQPEYJQITRPA-ZDUSSCGKSA-N 0 0 305.378 0.522 50 0 DCAARN CO[C@@H]1[C@H](OC(C)=O)[C@@H](C)O[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000025627797 294038454 /nfs/dbraw/zinc/03/84/54/294038454.db2.gz PYFNMYOLTSCFQY-FVYJHBBRSA-N 0 0 304.295 0.173 50 0 DCAARN Cn1c2sc3c(c2c(=O)n(CCO)c1=O)CC(C)(C)OC3 ZINC000006719960 294194443 /nfs/dbraw/zinc/19/44/43/294194443.db2.gz JWXIBBRHLWJBBP-UHFFFAOYSA-N 0 0 310.375 0.605 50 0 DCAARN C[C@H]1CN(C(=O)CN2CCOCC2=O)[C@H](c2ccccc2)CO1 ZINC000240465913 300129169 /nfs/dbraw/zinc/12/91/69/300129169.db2.gz GBIJGQLZRPBAEB-ZFWWWQNUSA-N 0 0 318.373 0.834 50 0 DCAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NC(C)C)[C@H]4C2=O)no1 ZINC000009184086 301343886 /nfs/dbraw/zinc/34/38/86/301343886.db2.gz RCKHCDWBFREXRZ-YGSHXTJESA-N 0 0 317.345 0.794 50 0 DCAARN CCCn1c(=O)[nH]nc1S[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000008183933 331505894 /nfs/dbraw/zinc/50/58/94/331505894.db2.gz GXJGTEFDXOKHPV-UWVGGRQHSA-N 0 0 314.411 0.757 50 0 DCAARN C[C@H](NCc1nnc2n1CCCC2)C(=O)NC(=O)NC(C)(C)C ZINC000089448404 332069256 /nfs/dbraw/zinc/06/92/56/332069256.db2.gz DNYIVBQHQCQFPS-JTQLQIEISA-N 0 0 322.413 0.717 50 0 DCAARN C[C@H](NS(C)(=O)=O)C(=O)N1CCN(C2CC2)c2ccccc21 ZINC000187537856 332975916 /nfs/dbraw/zinc/97/59/16/332975916.db2.gz HGLAADYFWPOOJQ-NSHDSACASA-N 0 0 323.418 0.940 50 0 DCAARN Cc1noc(C)c1CNC(=O)N1CC[C@]2(C1)CN(C)C(=O)CO2 ZINC000534577364 334288168 /nfs/dbraw/zinc/28/81/68/334288168.db2.gz DRNKEQSCGBYQAG-OAHLLOKOSA-N 0 0 322.365 0.434 50 0 DCAARN CC(C)(CO)NC(=O)c1ccc(-c2cncc(C(N)=O)n2)cc1 ZINC000534637697 334309795 /nfs/dbraw/zinc/30/97/95/334309795.db2.gz NCRTXUGXOZYRIC-UHFFFAOYSA-N 0 0 314.345 0.743 50 0 DCAARN CC(C)OCC(=O)N[C@@H]1CN(C)S(=O)(=O)c2ccsc21 ZINC000534669322 334319796 /nfs/dbraw/zinc/31/97/96/334319796.db2.gz HDORUVHADYRWEJ-SECBINFHSA-N 0 0 318.420 0.965 50 0 DCAARN COC(=O)c1cc(O)cc(C(=O)N2CCO[C@H](CC[NH3+])C2)c1 ZINC000534673141 334321268 /nfs/dbraw/zinc/32/12/68/334321268.db2.gz ACPPHDLZKYOCPQ-CYBMUJFWSA-N 0 0 308.334 0.369 50 0 DCAARN Cc1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1F ZINC000023006466 337351508 /nfs/dbraw/zinc/35/15/08/337351508.db2.gz BPTJRFUUJPRSQK-UHFFFAOYSA-N 0 0 323.368 0.911 50 0 DCAARN O[C@@H]1CO[C@H](Oc2ccc(Br)cc2)[C@@H](O)[C@@H]1O ZINC000000484962 340375719 /nfs/dbraw/zinc/37/57/19/340375719.db2.gz RYMCGIWYPIFYRA-CHWFTXMASA-N 0 0 305.124 0.267 50 0 DCAARN COc1ccnc(N2CCN(C(=O)[C@H]3CCCCO3)CC2)n1 ZINC000178824824 341966555 /nfs/dbraw/zinc/96/65/55/341966555.db2.gz OPRWEDUMVQWRCI-GFCCVEGCSA-N 0 0 306.366 0.703 50 0 DCAARN CN1C(=O)C[C@H](NS(N)(=O)=O)[C@H]1c1ccc(Cl)cc1 ZINC000156028236 523712129 /nfs/dbraw/zinc/71/21/29/523712129.db2.gz NBPFVRFEEPBXIU-GXSJLCMTSA-N 0 0 303.771 0.405 50 0 DCAARN CN1CC(=O)N(CC(=O)NC2(c3cccc(F)c3)CC2)C1=O ZINC000128526640 523741872 /nfs/dbraw/zinc/74/18/72/523741872.db2.gz QIPRFPVFKKCQOX-UHFFFAOYSA-N 0 0 305.309 0.825 50 0 DCAARN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC000192087727 524324767 /nfs/dbraw/zinc/32/47/67/524324767.db2.gz PVVILJZCVYISLR-JTQLQIEISA-N 0 0 319.365 0.141 50 0 DCAARN COc1cccc(OCC(=O)N2CCN3C(=O)OC[C@H]3C2)c1 ZINC000366300487 526227764 /nfs/dbraw/zinc/22/77/64/526227764.db2.gz ZGCJIUICIXWCQG-LLVKDONJSA-N 0 0 306.318 0.737 50 0 DCAARN C=CC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000328598727 526915036 /nfs/dbraw/zinc/91/50/36/526915036.db2.gz OAGABHNVGWMRFY-UHFFFAOYSA-N 0 0 314.329 0.987 50 0 DCAARN CC1(C)NC(=O)N(CCCn2ccnc2S(C)(=O)=O)C1=O ZINC000330992582 527780944 /nfs/dbraw/zinc/78/09/44/527780944.db2.gz NJUZHVHFQMLHTI-UHFFFAOYSA-N 0 0 314.367 0.212 50 0 DCAARN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000240444243 529135769 /nfs/dbraw/zinc/13/57/69/529135769.db2.gz FWVLEPXUGZGQRQ-ZYHUDNBSSA-N 0 0 311.382 0.289 50 0 DCAARN CC(C)Cn1nc2c(S(=O)(=O)N3CCCC3)cccn2c1=O ZINC000035528019 545644184 /nfs/dbraw/zinc/64/41/84/545644184.db2.gz GUWGJKLWEFLVPF-UHFFFAOYSA-N 0 0 324.406 0.937 50 0 DCAARN Cc1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 ZINC000084296972 545700316 /nfs/dbraw/zinc/70/03/16/545700316.db2.gz NGAUTSQPVUKWEQ-GFCCVEGCSA-N 0 0 317.393 0.720 50 0 DCAARN O=C(c1cn2cccnc2n1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000084614947 545702781 /nfs/dbraw/zinc/70/27/81/545702781.db2.gz XJCVYLMUNAIRIB-KGLIPLIRSA-N 0 0 315.377 0.401 50 0 DCAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1Cc2cncnc2C1 ZINC000096366469 545729385 /nfs/dbraw/zinc/72/93/85/545729385.db2.gz SQRCQFLYAQVLKA-UHFFFAOYSA-N 0 0 319.342 0.952 50 0 DCAARN COCCCNC(=O)N1CCc2nc3ccccn3c(=O)c2C1 ZINC000238864897 545959990 /nfs/dbraw/zinc/95/99/90/545959990.db2.gz LNZDNVHTLDTZFT-UHFFFAOYSA-N 0 0 316.361 0.799 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CC(Oc2cccnc2)C1 ZINC000238840178 545960526 /nfs/dbraw/zinc/96/05/26/545960526.db2.gz HRHAYHHJVGDFDN-UHFFFAOYSA-N 0 0 322.390 0.884 50 0 DCAARN CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)CCc1ccccc1F ZINC000585094121 546303402 /nfs/dbraw/zinc/30/34/02/546303402.db2.gz CWQKEOAJXHBKHJ-LBPRGKRZSA-N 0 0 314.382 0.812 50 0 DCAARN Cc1[nH][nH]c(=O)c1CCNC(=O)c1c(C2CCC2)cnn1C ZINC000585102493 546303460 /nfs/dbraw/zinc/30/34/60/546303460.db2.gz LRJVAKUOTUWYCL-NSHDSACASA-N 0 0 303.366 0.929 50 0 DCAARN CN1CCN(S(=O)(=O)c2ccc(F)cc2)C[C@@H]1CCO ZINC000670439102 547091113 /nfs/dbraw/zinc/09/11/13/547091113.db2.gz HMZUDZHDDOULME-LBPRGKRZSA-N 0 0 302.371 0.513 50 0 DCAARN CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cncc(C(N)=O)n1 ZINC000670438880 547091453 /nfs/dbraw/zinc/09/14/53/547091453.db2.gz AHGPGPCEOZQRLB-JTQLQIEISA-N 0 0 305.382 0.659 50 0 DCAARN O=C1CN(CCn2cnnc2)CCN1Cc1ccccc1F ZINC000670456839 547097345 /nfs/dbraw/zinc/09/73/45/547097345.db2.gz WBAOPQWKWDIYOF-UHFFFAOYSA-N 0 0 303.341 0.762 50 0 DCAARN CS(=O)(=O)NCC(=O)NCc1ccccc1-n1ccnc1 ZINC000670456160 547097865 /nfs/dbraw/zinc/09/78/65/547097865.db2.gz VXWSTRKRWAFOIE-UHFFFAOYSA-N 0 0 308.363 0.038 50 0 DCAARN O=C(C[C@@H]1CCCOC1)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC000670469344 547100744 /nfs/dbraw/zinc/10/07/44/547100744.db2.gz HYUYFTUIZDDPCW-LBPRGKRZSA-N 0 0 308.378 0.849 50 0 DCAARN CNS(=O)(=O)C1CCN(c2nc(C)nc3[nH]ccc32)CC1 ZINC000674337093 547583139 /nfs/dbraw/zinc/58/31/39/547583139.db2.gz MRUNMGFNLWOAIV-UHFFFAOYSA-N 0 0 309.395 0.784 50 0 DCAARN Cc1nccn1CCC[N@@H+]1C[C@@H](C(=O)N(C)C)CC[C@@H]1C(=O)[O-] ZINC000685940322 548745534 /nfs/dbraw/zinc/74/55/34/548745534.db2.gz DPZLZASZQPEREO-UONOGXRCSA-N 0 0 322.409 0.835 50 0 DCAARN CC/C(C)=C(\C)C(=O)N1CC(N2C[C@H](C(=O)NC)CC2=O)C1 ZINC000685942298 548747896 /nfs/dbraw/zinc/74/78/96/548747896.db2.gz MXGSFTBWXLPJGY-HCRIHEDKSA-N 0 0 307.394 0.538 50 0 DCAARN CNS(=O)(=O)C[C@H]1CCCN(C(=O)Nc2ccnnc2)C1 ZINC000888100562 661179188 /nfs/dbraw/zinc/17/91/88/661179188.db2.gz XRZGHWYUIZVSOD-JTQLQIEISA-N 0 0 313.383 0.270 50 0 DCAARN NC(=O)C12CC(C1)CN2C(=O)c1ccc(Br)cn1 ZINC000888100822 661179375 /nfs/dbraw/zinc/17/93/75/661179375.db2.gz YDAWWUAPUXRFOC-UHFFFAOYSA-N 0 0 310.151 0.934 50 0 DCAARN CC(C)C[C@@H](C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1O)n1cccc1 ZINC000888105176 661219593 /nfs/dbraw/zinc/21/95/93/661219593.db2.gz YYEQNTFFQPWTAZ-AVGNSLFASA-N 0 0 314.407 0.349 50 0 DCAARN C[C@H](NS(=O)(=O)CCOc1ccccc1)c1ncnn1C ZINC000289922822 658518532 /nfs/dbraw/zinc/51/85/32/658518532.db2.gz QUIKABGEWBVJQD-NSHDSACASA-N 0 0 310.379 0.875 50 0 DCAARN CC(=O)N1CC[C@@H](C(=O)Nc2cncnc2N2CCCC2)C1 ZINC000180489082 658976878 /nfs/dbraw/zinc/97/68/78/658976878.db2.gz QEBPAJGDDATCOZ-GFCCVEGCSA-N 0 0 303.366 0.884 50 0 DCAARN O=C(CCCc1nc(-c2ccco2)no1)N1CCNC(=O)C1 ZINC000019745910 659627254 /nfs/dbraw/zinc/62/72/54/659627254.db2.gz ZAQNRHDWESJTOF-UHFFFAOYSA-N 0 0 304.306 0.611 50 0 DCAARN O=C(Cc1ccncc1)N1CCN(CCN2CCOCC2)CC1 ZINC000299790506 659645142 /nfs/dbraw/zinc/64/51/42/659645142.db2.gz BQTQGSUNWBHGFM-UHFFFAOYSA-N 0 0 318.421 0.101 50 0 DCAARN COCCN(Cc1ccncc1)C(=O)[C@@H](C)N1CCN(C)CC1 ZINC000426658150 661688347 /nfs/dbraw/zinc/68/83/47/661688347.db2.gz ATHYDXBXNCSOBV-OAHLLOKOSA-N 0 0 320.437 0.693 50 0 DCAARN CCn1ncnc1CN1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000952970113 665830949 /nfs/dbraw/zinc/83/09/49/665830949.db2.gz LGJUHSMKUQIGFW-UHFFFAOYSA-N 0 0 308.430 0.330 50 0 DCAARN NC(=O)CCN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000025426748 662225143 /nfs/dbraw/zinc/22/51/43/662225143.db2.gz HYELSROIZDFATA-NTUHNPAUSA-N 0 0 323.418 0.480 50 0 DCAARN COc1cccc(CN(C)C(=O)Cn2nc(C)n(C)c2=O)c1 ZINC000585090248 666172728 /nfs/dbraw/zinc/17/27/28/666172728.db2.gz FZXNVLUFDPMRIQ-UHFFFAOYSA-N 0 0 304.350 0.557 50 0 DCAARN COCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C ZINC000012300128 666348943 /nfs/dbraw/zinc/34/89/43/666348943.db2.gz YFSDCFZXUAZYDI-HNNXBMFYSA-N 0 0 319.405 0.448 50 0 DCAARN COCCN(C(=O)Cn1nnnc1CN1CCCC1)C(C)C ZINC000012315473 666440018 /nfs/dbraw/zinc/44/00/18/666440018.db2.gz NKTVZEOFLPTGBY-UHFFFAOYSA-N 0 0 310.402 0.152 50 0 DCAARN CCO[C@@H](CS(=O)(=O)N1CC[C@@H](c2nnc[nH]2)C1)C1CC1 ZINC000859199813 671081892 /nfs/dbraw/zinc/08/18/92/671081892.db2.gz SMEPGSNFZWFHGI-NEPJUHHUSA-N 0 0 314.411 0.739 50 0 DCAARN CCOc1cc(N2CCO[C@@H](CN3CCOCC3)C2)ncn1 ZINC000952992268 685602525 /nfs/dbraw/zinc/60/25/25/685602525.db2.gz CHWYLEQERAUWTI-ZDUSSCGKSA-N 0 0 308.382 0.413 50 0 DCAARN O=C(C1CCN(S(=O)(=O)c2cn[nH]c2)CC1)N1CCCC1 ZINC000053645533 685061778 /nfs/dbraw/zinc/06/17/78/685061778.db2.gz KFJMRYNQDLMEIV-UHFFFAOYSA-N 0 0 312.395 0.433 50 0 DCAARN COC(=O)c1cc2n(n1)CCN(Cc1cnn3cccnc13)C2 ZINC000065409641 685063917 /nfs/dbraw/zinc/06/39/17/685063917.db2.gz NPMDWNLOGDHIPW-UHFFFAOYSA-N 0 0 312.333 0.728 50 0 DCAARN COc1cc2c(cc1CN1CC[NH2+][C@@H](C(=O)[O-])C1)OCCCO2 ZINC000071730422 685073962 /nfs/dbraw/zinc/07/39/62/685073962.db2.gz FMTOZZLLUWOEOE-GFCCVEGCSA-N 0 0 322.361 0.715 50 0 DCAARN C=CCN1C[C@@]2(C(=O)[O-])C[N@@H+](Cc3ccncc3)C[C@H]2C1=O ZINC000077298262 685079794 /nfs/dbraw/zinc/07/97/94/685079794.db2.gz AYTRPYFDWKPCRP-BBRMVZONSA-N 0 0 301.346 0.613 50 0 DCAARN Cc1nc(C)n(CCCNC(=O)CN(C)Cc2ccncc2)n1 ZINC000252499288 685186202 /nfs/dbraw/zinc/18/62/02/685186202.db2.gz RYGPJYYVGITDHL-UHFFFAOYSA-N 0 0 316.409 0.928 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3c(C)ncnc3C)C[C@H]2O)[nH]n1 ZINC001704278270 1179959232 /nfs/dbraw/zinc/95/92/32/1179959232.db2.gz JBXBIPYYULSPMH-TZMCWYRMSA-N 0 0 315.377 0.801 50 0 DCAARN Cc1ncccc1C(=O)N1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O ZINC001704298120 1179964896 /nfs/dbraw/zinc/96/48/96/1179964896.db2.gz FMGSWWNYLBSVFZ-JKSUJKDBSA-N 0 0 320.389 0.897 50 0 DCAARN Nc1ncc(C(=O)N2C[C@H](O)[C@H](Cc3ccncc3)C2)s1 ZINC001704297270 1179965351 /nfs/dbraw/zinc/96/53/51/1179965351.db2.gz KNARPEHQBINIPD-MNOVXSKESA-N 0 0 304.375 0.796 50 0 DCAARN CNC(=O)c1ccc(CN2C[C@@H](Cc3cnccn3)[C@H](O)C2)o1 ZINC001704300769 1179966533 /nfs/dbraw/zinc/96/65/33/1179966533.db2.gz ZFOKILFIKKJSFD-BXUZGUMPSA-N 0 0 316.361 0.465 50 0 DCAARN COc1ccc(CN2C[C@@H]3COC[C@H](C2)N(C)C3=O)cc1O ZINC001704303538 1179967068 /nfs/dbraw/zinc/96/70/68/1179967068.db2.gz KWIRKGLQWIONFM-OLZOCXBDSA-N 0 0 306.362 0.690 50 0 DCAARN Cc1[nH]ccc1C(=O)N1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O ZINC001704315314 1179970665 /nfs/dbraw/zinc/97/06/65/1179970665.db2.gz ROZIUMBFHZRTKT-LSDHHAIUSA-N 0 0 308.378 0.830 50 0 DCAARN CNc1ncccc1C(=O)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704341215 1179978612 /nfs/dbraw/zinc/97/86/12/1179978612.db2.gz RFOXBAWCGKVNKG-BXUZGUMPSA-N 0 0 313.361 0.589 50 0 DCAARN O=C([C@H]1CNC(=O)N1)N1CCC2(CC1)OCCc1sccc12 ZINC001704339305 1179979191 /nfs/dbraw/zinc/97/91/91/1179979191.db2.gz QNJLNRVGYKBHOP-LLVKDONJSA-N 0 0 321.402 0.820 50 0 DCAARN CN(C(=O)c1ccc(C(N)=O)cc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 ZINC001704340258 1179979344 /nfs/dbraw/zinc/97/93/44/1179979344.db2.gz RRVYFNFJFOTIFX-HZSPNIEDSA-N 0 0 315.373 0.772 50 0 DCAARN C[C@@]1(O)CCOC2(CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC001704342852 1179980381 /nfs/dbraw/zinc/98/03/81/1179980381.db2.gz RFHDPSCLZXTZRH-MRXNPFEDSA-N 0 0 324.421 0.922 50 0 DCAARN Cc1nonc1CC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 ZINC001704354939 1179982675 /nfs/dbraw/zinc/98/26/75/1179982675.db2.gz IYEDJKSFWAVOAP-TZMCWYRMSA-N 0 0 302.334 0.689 50 0 DCAARN CCN(CC)c1ccc(C(=O)NCc2noc(C(N)=O)n2)cc1 ZINC001704357676 1179984229 /nfs/dbraw/zinc/98/42/29/1179984229.db2.gz VTTXSCHKINHUCC-UHFFFAOYSA-N 0 0 317.349 0.945 50 0 DCAARN CS(=O)(=O)N(CCNC(=O)c1ccco1)C1CCOCC1 ZINC000675019816 754364725 /nfs/dbraw/zinc/36/47/25/754364725.db2.gz JMLVQYINAXIMIY-UHFFFAOYSA-N 0 0 316.379 0.450 50 0 DCAARN CCCn1cc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)cn1 ZINC000823033286 758220870 /nfs/dbraw/zinc/22/08/70/758220870.db2.gz PHIVFSFWMKKQAZ-SNVBAGLBSA-N 0 0 300.384 0.192 50 0 DCAARN CCNC(=O)N1CCC(NS(=O)(=O)N2CCCC2)CC1 ZINC000823126736 758227043 /nfs/dbraw/zinc/22/70/43/758227043.db2.gz OOFSVKSYAJQVDM-UHFFFAOYSA-N 0 0 304.416 0.111 50 0 DCAARN CCn1cnnc1[C@H](C)NC(=O)c1ccc(-n2cnnc2)nc1 ZINC000823592498 758252144 /nfs/dbraw/zinc/25/21/44/758252144.db2.gz MHPAPWUVYIBNRT-JTQLQIEISA-N 0 0 312.337 0.765 50 0 DCAARN CN(CC(=O)[O-])c1ncc(CN2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000823689901 758260139 /nfs/dbraw/zinc/26/01/39/758260139.db2.gz CVZRVVNSPFLAOE-GFCCVEGCSA-N 0 0 307.398 0.381 50 0 DCAARN COCCCn1cnnc1CNS(=O)(=O)c1cccnc1 ZINC000824396859 758772074 /nfs/dbraw/zinc/77/20/74/758772074.db2.gz ISYTWHRMUJXNGR-UHFFFAOYSA-N 0 0 311.367 0.188 50 0 DCAARN Cc1nnc(CN2CCC3(CC2)N=C(N(C)C)NC3=O)s1 ZINC000825296743 758801907 /nfs/dbraw/zinc/80/19/07/758801907.db2.gz KPJGQWJDKKHVQA-UHFFFAOYSA-N 0 0 308.411 0.229 50 0 DCAARN C[C@@H](Cc1nc(CC(N)=O)nn1CC(C)(C)O)n1cccn1 ZINC000826842155 758845442 /nfs/dbraw/zinc/84/54/42/758845442.db2.gz MEPIUDVDLKOMTR-JTQLQIEISA-N 0 0 306.370 0.077 50 0 DCAARN Cc1cc(C)nc(CNC(=O)CCC(=O)Nc2nncs2)n1 ZINC000828032046 758916726 /nfs/dbraw/zinc/91/67/26/758916726.db2.gz LDVBEALRIQAIQI-UHFFFAOYSA-N 0 0 320.378 0.980 50 0 DCAARN CN(C)c1ncc(/C=C/C(=O)NCc2nnc3n2CCC3)cn1 ZINC000828032389 758916746 /nfs/dbraw/zinc/91/67/46/758916746.db2.gz RRUXORAKVKVAPZ-AATRIKPKSA-N 0 0 313.365 0.410 50 0 DCAARN Cc1cccc(N2CCC(NC(=O)[C@@H]([NH3+])CC(=O)[O-])CC2)c1 ZINC000828520188 759025397 /nfs/dbraw/zinc/02/53/97/759025397.db2.gz IOWFXDUAQMINDP-AWEZNQCLSA-N 0 0 305.378 0.882 50 0 DCAARN CCc1nc(S(=O)(=O)NCCN2CCCC[C@H]2CO)c[nH]1 ZINC000828710935 759073522 /nfs/dbraw/zinc/07/35/22/759073522.db2.gz PXSIWHPHMBCKCG-NSHDSACASA-N 0 0 316.427 0.097 50 0 DCAARN O=C([O-])c1cc(O)cc(C(=O)NCC[N@H+]2CCCC[C@@H]2CO)c1 ZINC000828711005 759074288 /nfs/dbraw/zinc/07/42/88/759074288.db2.gz XHZLUNFAZNXUPY-CYBMUJFWSA-N 0 0 322.361 0.667 50 0 DCAARN COCCn1ncc(N2CC[C@H](C(=O)NCC3CC3)C2)cc1=O ZINC000581792342 760252039 /nfs/dbraw/zinc/25/20/39/760252039.db2.gz GUDKNXYMSHEKQC-ZDUSSCGKSA-N 0 0 320.393 0.242 50 0 DCAARN CCn1cnnc1-c1nn(C)c2c1CN(C(=O)CCOC)CC2 ZINC000581790483 760252737 /nfs/dbraw/zinc/25/27/37/760252737.db2.gz DYQIGFYLTJUWEA-UHFFFAOYSA-N 0 0 318.381 0.620 50 0 DCAARN Cc1cc(=O)c(C(=O)N(C)C[C@H](C)N2CCOCC2)cn1C ZINC000952868368 768924453 /nfs/dbraw/zinc/92/44/53/768924453.db2.gz MBUMUNCMRCSLQY-ZDUSSCGKSA-N 0 0 307.394 0.486 50 0 DCAARN CCOC(=O)[C@@H]1[C@@H]2CCN(c3nnnn3[C@@H]3CCO[C@@H]3C)C[C@@H]21 ZINC000952878953 768942274 /nfs/dbraw/zinc/94/22/74/768942274.db2.gz KWQMHJLNSPIOCW-UJPOAAIJSA-N 0 0 321.381 0.658 50 0 DCAARN CCOC(=O)CCN(C1CC1)S(=O)(=O)C[C@@H]1COCCO1 ZINC000952882008 768949392 /nfs/dbraw/zinc/94/93/92/768949392.db2.gz OUQFSABSQLEDNO-LBPRGKRZSA-N 0 0 321.395 0.149 50 0 DCAARN Cc1cc(=O)[nH]c(CCNC(=O)CN(C)Cc2ccccn2)n1 ZINC000952864416 768954147 /nfs/dbraw/zinc/95/41/47/768954147.db2.gz YTQSMVXTAWWZBV-UHFFFAOYSA-N 0 0 315.377 0.676 50 0 DCAARN O=C(CCn1cccn1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 ZINC001529134120 1014503547 /nfs/dbraw/zinc/50/35/47/1014503547.db2.gz VTMVBSPALLKYQF-CABCVRRESA-N 0 0 300.362 0.730 50 0 DCAARN Cc1ccnn1CCC(=O)N1CCN2[C@@H](COC[C@@H]2C2CC2)C1 ZINC001529172824 1014513730 /nfs/dbraw/zinc/51/37/30/1014513730.db2.gz IXTMNOMBAFPYKS-HZPDHXFCSA-N 0 0 318.421 0.903 50 0 DCAARN COc1ncccc1C(=O)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001529181105 1014514971 /nfs/dbraw/zinc/51/49/71/1014514971.db2.gz PYDPVWGBBXCVTF-BXUZGUMPSA-N 0 0 314.345 0.556 50 0 DCAARN CC(=O)Nc1nonc1NC(=O)CC[C@H](C)N1CCOCC1 ZINC001529199240 1014519177 /nfs/dbraw/zinc/51/91/77/1014519177.db2.gz ZSVJXMAHIFGVRF-VIFPVBQESA-N 0 0 311.342 0.467 50 0 DCAARN COC[C@H]1CCCN(S(=O)(=O)NCC(=O)NC(C)(C)C)C1 ZINC001506396907 1017252442 /nfs/dbraw/zinc/25/24/42/1017252442.db2.gz MQTYPWBTAYXGKU-NSHDSACASA-N 0 0 321.443 0.094 50 0 DCAARN CN(C)C(=O)NCC(=O)N(C)Cc1ccc2nsnc2c1 ZINC001506398857 1017253748 /nfs/dbraw/zinc/25/37/48/1017253748.db2.gz VILWUPLIICQYAG-UHFFFAOYSA-N 0 0 307.379 0.921 50 0 DCAARN Cc1nc2ccccc2c(N2C[C@H](O)[C@@H](N3CCOCC3)C2)n1 ZINC001506395795 1017253908 /nfs/dbraw/zinc/25/39/08/1017253908.db2.gz MUEWXPCEACWLSG-HOTGVXAUSA-N 0 0 314.389 0.820 50 0 DCAARN Cc1ccccc1OC[C@H](O)C(=O)N(C)CCC(=O)N(C)C ZINC001506402494 1017256250 /nfs/dbraw/zinc/25/62/50/1017256250.db2.gz SSFHLOUTFXUPDU-ZDUSSCGKSA-N 0 0 308.378 0.671 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2ncc(N3CCCC3)cc2=O)CCCO1 ZINC000095497987 185374456 /nfs/dbraw/zinc/37/44/56/185374456.db2.gz MKHOJIOTGQPJQH-CYBMUJFWSA-N 0 0 320.393 0.481 50 0 DCAARN C[C@H]1CCN(CC(=O)N(C)CCc2noc(C3CC3)n2)C1=O ZINC000095509396 185375877 /nfs/dbraw/zinc/37/58/77/185375877.db2.gz RYYXIQLFYNIJEC-JTQLQIEISA-N 0 0 306.366 0.816 50 0 DCAARN CC(C)c1nccn1[C@H](C)C(=O)NCCc1n[nH]c(=O)n1C ZINC000095510167 185376268 /nfs/dbraw/zinc/37/62/68/185376268.db2.gz OYOLPPNLQZCTRB-SNVBAGLBSA-N 0 0 306.370 0.348 50 0 DCAARN Cc1nnc([C@@H]2CN(CC(=O)NCc3cccnc3)CCO2)[nH]1 ZINC000078892492 185124175 /nfs/dbraw/zinc/12/41/75/185124175.db2.gz LBCMQKUJFSGKIV-ZDUSSCGKSA-N 0 0 316.365 0.198 50 0 DCAARN O=C(CSCC(=O)N1CCOCC1)N1C[C@@H]2CCC[C@H]2C1 ZINC000079093765 185156758 /nfs/dbraw/zinc/15/67/58/185156758.db2.gz RSBZWSIVZNBFMP-STQMWFEESA-N 0 0 312.435 0.837 50 0 DCAARN O=C(CCn1cncn1)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000079311130 185164550 /nfs/dbraw/zinc/16/45/50/185164550.db2.gz MIKGZZXOBLTVIQ-AWEZNQCLSA-N 0 0 313.361 0.980 50 0 DCAARN CCc1cc(C(=O)NC[C@@H]2CN(C(C)=O)CCO2)cc(=O)[nH]1 ZINC000299802448 529517291 /nfs/dbraw/zinc/51/72/91/529517291.db2.gz MDGWNFQTSZMQFZ-CYBMUJFWSA-N 0 0 307.350 0.327 50 0 DCAARN CCN(C(=O)c1cnn2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000082109021 192357548 /nfs/dbraw/zinc/35/75/48/192357548.db2.gz OQERXHJMRVNOIJ-NSHDSACASA-N 0 0 307.375 0.984 50 0 DCAARN CCCCS(=O)(=O)N1CCC[C@@H](C(=O)NC(C)(C)CO)C1 ZINC000006743904 190623685 /nfs/dbraw/zinc/62/36/85/190623685.db2.gz YIFKOEKHFMOXPE-GFCCVEGCSA-N 0 0 320.455 0.715 50 0 DCAARN CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cccc3cn[nH]c32)C1 ZINC000092771386 185339311 /nfs/dbraw/zinc/33/93/11/185339311.db2.gz PCEABROHMYMVSM-NSHDSACASA-N 0 0 322.390 0.717 50 0 DCAARN CO[C@@H](C)CCNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000095395475 185352797 /nfs/dbraw/zinc/35/27/97/185352797.db2.gz BXHLDQPGYXWRPA-IUCAKERBSA-N 0 0 311.304 0.874 50 0 DCAARN C/C=C/C[S@@](=O)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000095417643 185359222 /nfs/dbraw/zinc/35/92/22/185359222.db2.gz JWOQHTMMVRLFEA-GSNWYEJOSA-N 0 0 300.424 0.828 50 0 DCAARN COc1cc(NC(=O)C[C@@H]2C(=O)Nc3ncnn32)cc(OC)c1 ZINC000013691787 190638485 /nfs/dbraw/zinc/63/84/85/190638485.db2.gz KWVOMUZKRXGERO-LLVKDONJSA-N 0 0 317.305 0.817 50 0 DCAARN COc1cc(C)c(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)cc1C ZINC000095454434 185369728 /nfs/dbraw/zinc/36/97/28/185369728.db2.gz UCJGMIDOMMVVMB-PHIMTYICSA-N 0 0 301.364 0.038 50 0 DCAARN COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc2ccccc2c1 ZINC000095452534 185369236 /nfs/dbraw/zinc/36/92/36/185369236.db2.gz QTHWHPMPBBUJJP-ZDUSSCGKSA-N 0 0 309.343 0.652 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000095452806 185369574 /nfs/dbraw/zinc/36/95/74/185369574.db2.gz YBNVCADSSYOUMH-NEPJUHHUSA-N 0 0 312.395 0.833 50 0 DCAARN CC(C)(CO)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000095459887 185370564 /nfs/dbraw/zinc/37/05/64/185370564.db2.gz HWJFTSWMKCSYNT-UHFFFAOYSA-N 0 0 312.435 0.905 50 0 DCAARN CCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000016623230 190642064 /nfs/dbraw/zinc/64/20/64/190642064.db2.gz VJFOUJJVUYFQGP-UHFFFAOYSA-N 0 0 316.354 0.596 50 0 DCAARN CCOc1ccnc(N2CCCN([C@@H]3CCN(C)C3=O)CC2)n1 ZINC000097019030 185398014 /nfs/dbraw/zinc/39/80/14/185398014.db2.gz BONCJZJQPFTJAD-CYBMUJFWSA-N 0 0 319.409 0.618 50 0 DCAARN CN(CCCC(=O)NC[C@H]1COC(=O)N1)C(=O)OC(C)(C)C ZINC000408516654 529878891 /nfs/dbraw/zinc/87/88/91/529878891.db2.gz MDSAOAZNBMXVNS-JTQLQIEISA-N 0 0 315.370 0.858 50 0 DCAARN Cc1cccc2nc(C(=O)N3Cc4cnn(CCO)c4C3)cn21 ZINC000097173121 185418676 /nfs/dbraw/zinc/41/86/76/185418676.db2.gz AXYUJGUPEYCBHN-UHFFFAOYSA-N 0 0 311.345 0.988 50 0 DCAARN O=C1CN(CCCS(=O)(=O)c2ccc(F)cc2)CCN1 ZINC000049000269 190677433 /nfs/dbraw/zinc/67/74/33/190677433.db2.gz XPCYSKXIEUFADZ-UHFFFAOYSA-N 0 0 300.355 0.421 50 0 DCAARN COc1nccnc1O[C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC000225808221 201749437 /nfs/dbraw/zinc/74/94/37/201749437.db2.gz XEQFYKBPAMAMGW-LLVKDONJSA-N 0 0 303.322 0.362 50 0 DCAARN CNS(=O)(=O)C1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC000331976214 530013224 /nfs/dbraw/zinc/01/32/24/530013224.db2.gz KLNJBCBVGMSQMH-UHFFFAOYSA-N 0 0 322.390 0.488 50 0 DCAARN COCCOc1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cn1 ZINC000058158929 190691023 /nfs/dbraw/zinc/69/10/23/190691023.db2.gz CQZDDWNPQAQCRB-VIFPVBQESA-N 0 0 302.352 0.478 50 0 DCAARN CCc1cc(S(=O)(=O)NCCO)ccc1OCC(=O)OC ZINC000226687557 201784303 /nfs/dbraw/zinc/78/43/03/201784303.db2.gz QQVKZMSQVQWIQX-UHFFFAOYSA-N 0 0 317.363 0.071 50 0 DCAARN COCc1cc(=O)n(CC(=O)Nc2ccccc2OC)c(N)n1 ZINC000065310955 190707568 /nfs/dbraw/zinc/70/75/68/190707568.db2.gz CYZHMLDMUKTLTD-UHFFFAOYSA-N 0 0 318.333 0.619 50 0 DCAARN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCc1cnn(C)c1C ZINC000170613384 197790325 /nfs/dbraw/zinc/79/03/25/197790325.db2.gz WBCUTVZJNKIQFZ-VXGBXAGGSA-N 0 0 315.395 0.490 50 0 DCAARN CC1N=NC(=S)N1CCNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000170641421 197798235 /nfs/dbraw/zinc/79/82/35/197798235.db2.gz DAIZSCFQHUGWNK-LBPRGKRZSA-N 0 0 304.375 0.995 50 0 DCAARN Cn1c(=O)cc(C(=O)N[C@@H]2CCCc3ccccc32)n(C)c1=O ZINC000095372656 282560783 /nfs/dbraw/zinc/56/07/83/282560783.db2.gz ZEGCIUOHBPWZCC-CYBMUJFWSA-N 0 0 313.357 0.891 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCCO2 ZINC000058263370 295778637 /nfs/dbraw/zinc/77/86/37/295778637.db2.gz JPOQABSKFOFKHR-LLVKDONJSA-N 0 0 311.359 0.765 50 0 DCAARN O=C(Cn1nc(-n2cccn2)ccc1=O)NCc1cccs1 ZINC000070655871 190909554 /nfs/dbraw/zinc/90/95/54/190909554.db2.gz PUZVNZBLEXSHEB-UHFFFAOYSA-N 0 0 315.358 0.807 50 0 DCAARN Cc1c(C(=O)NCCSc2nnnn2C)cnc2ccnn21 ZINC000071575710 190991812 /nfs/dbraw/zinc/99/18/12/190991812.db2.gz DIWULIVBJAIQHE-UHFFFAOYSA-N 0 0 318.366 0.083 50 0 DCAARN COc1ccc(C(=O)N2CCc3c(nc[nH]c3=O)C2)cc1O ZINC000071748865 191021046 /nfs/dbraw/zinc/02/10/46/191021046.db2.gz SDFNRINWGNBMLM-UHFFFAOYSA-N 0 0 301.302 0.683 50 0 DCAARN COc1ccc(-c2noc(CNCCN3CCNC3=O)n2)cc1 ZINC000071754646 191024723 /nfs/dbraw/zinc/02/47/23/191024723.db2.gz DLNDFUKZAVVCLG-UHFFFAOYSA-N 0 0 317.349 0.860 50 0 DCAARN CC(C)c1cc(C(=O)N2CCNC[C@@H]2C(=O)N2CCCC2)no1 ZINC000072131009 191044493 /nfs/dbraw/zinc/04/44/93/191044493.db2.gz ITPPDSMGQMQKSB-CYBMUJFWSA-N 0 0 320.393 0.834 50 0 DCAARN O=C(C[C@H]1CCS(=O)(=O)C1)NCc1cnn2ccccc12 ZINC000072134472 191046841 /nfs/dbraw/zinc/04/68/41/191046841.db2.gz FBSNWLUYFXGWKG-LLVKDONJSA-N 0 0 307.375 0.775 50 0 DCAARN O=C(CCc1ccc(=O)[nH]n1)N1CCC[C@]2(CNC(=O)O2)CC1 ZINC000072148486 191054141 /nfs/dbraw/zinc/05/41/41/191054141.db2.gz NQJNCACSGULOLD-OAHLLOKOSA-N 0 0 320.349 0.194 50 0 DCAARN Cc1cc2nc(C(=O)N3CCC[C@@](O)(CO)CC3)cc(C)n2n1 ZINC000072152094 191056979 /nfs/dbraw/zinc/05/69/79/191056979.db2.gz MYRLZGOBJLUGFG-INIZCTEOSA-N 0 0 318.377 0.696 50 0 DCAARN O=S(=O)(NCc1ccccc1)NCC1(CO)CCOCC1 ZINC000072158640 191061159 /nfs/dbraw/zinc/06/11/59/191061159.db2.gz PFHIAXHOWUJZHY-UHFFFAOYSA-N 0 0 314.407 0.400 50 0 DCAARN CCCc1cc(NCCc2c[nH]c(=O)[nH]c2=O)n2nccc2n1 ZINC000072158342 191061566 /nfs/dbraw/zinc/06/15/66/191061566.db2.gz SNSSUEJUCVIOIQ-UHFFFAOYSA-N 0 0 314.349 0.713 50 0 DCAARN COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)C ZINC000072158891 191062021 /nfs/dbraw/zinc/06/20/21/191062021.db2.gz JCQUIVWGZURWBT-CYBMUJFWSA-N 0 0 305.378 0.474 50 0 DCAARN CCCS(=O)(=O)CC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000072234945 191080000 /nfs/dbraw/zinc/08/00/00/191080000.db2.gz ZNQDAPRKTJVYGG-NSHDSACASA-N 0 0 300.384 0.266 50 0 DCAARN O=C(CNc1cc(N2CCC[C@@H]2CO)ncn1)N1CCCC1 ZINC000072276045 191098749 /nfs/dbraw/zinc/09/87/49/191098749.db2.gz OKBVPPWUHSSSQB-GFCCVEGCSA-N 0 0 305.382 0.472 50 0 DCAARN Cc1nonc1NC(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000072280403 191101335 /nfs/dbraw/zinc/10/13/35/191101335.db2.gz PEPFBUXLCFPIRU-UHFFFAOYSA-N 0 0 311.323 0.032 50 0 DCAARN CC(C)N1C[C@@H](NC(=O)NC[C@@H](C)Cn2cccn2)CC1=O ZINC000072293213 191110104 /nfs/dbraw/zinc/11/01/04/191110104.db2.gz QRGLDEYEGVXLIJ-OLZOCXBDSA-N 0 0 307.398 0.828 50 0 DCAARN NC(=O)[C@@H](O)CNc1ccccc1S(=O)(=O)C(F)(F)F ZINC000225648553 186286765 /nfs/dbraw/zinc/28/67/65/186286765.db2.gz HJSKTFYVTYKSAW-ZETCQYMHSA-N 0 0 312.269 0.238 50 0 DCAARN C[C@H](C(=O)NC1CCCC1)S(=O)(=O)c1nnc(N)s1 ZINC000225683816 186288786 /nfs/dbraw/zinc/28/87/86/186288786.db2.gz QYQJGJWRTWJDRF-ZCFIWIBFSA-N 0 0 304.397 0.341 50 0 DCAARN CC(C)(C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O)N1CCOCC1 ZINC000253392870 186303370 /nfs/dbraw/zinc/30/33/70/186303370.db2.gz FFWVRBULUXKYDE-CABCVRRESA-N 0 0 304.390 0.872 50 0 DCAARN COc1cc(=O)n(C)cc1C(=O)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 ZINC000253397737 186305460 /nfs/dbraw/zinc/30/54/60/186305460.db2.gz FYIRRHNZUPQERG-SCDSUCTJSA-N 0 0 322.361 0.460 50 0 DCAARN C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000253405463 186307397 /nfs/dbraw/zinc/30/73/97/186307397.db2.gz IHIWDVOLXJJZLX-DTWKUNHWSA-N 0 0 320.324 0.552 50 0 DCAARN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000072313341 191120055 /nfs/dbraw/zinc/12/00/55/191120055.db2.gz XFFRJBWLQGUSNV-ZJUUUORDSA-N 0 0 300.384 0.053 50 0 DCAARN COC(=O)C1=C2C(=O)NCCN2C(=O)N[C@@H]1c1ccccc1F ZINC000058420676 290927553 /nfs/dbraw/zinc/92/75/53/290927553.db2.gz KOLASRDFCWZHJC-LLVKDONJSA-N 0 0 319.292 0.449 50 0 DCAARN O=C(NCCN1CCc2ccccc21)[C@H]1NCCc2nc[nH]c21 ZINC000072430230 191163135 /nfs/dbraw/zinc/16/31/35/191163135.db2.gz XQVZPHCJJSDTRB-INIZCTEOSA-N 0 0 311.389 0.775 50 0 DCAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCOCC1 ZINC000000307149 180754183 /nfs/dbraw/zinc/75/41/83/180754183.db2.gz FWSNLOPCFVFMDE-UHFFFAOYSA-N 0 0 324.402 0.944 50 0 DCAARN CCCn1nnnc1CN1CCNC(=O)[C@H]1c1cccs1 ZINC000072799181 191230253 /nfs/dbraw/zinc/23/02/53/191230253.db2.gz TWSZHQLPCAREBH-GFCCVEGCSA-N 0 0 306.395 0.818 50 0 DCAARN C[C@H]1CN(CCO)CCN1C(=O)c1nn(C)c2c1CCCC2 ZINC000331957796 234318198 /nfs/dbraw/zinc/31/81/98/234318198.db2.gz ICYIUIGGVMXGCN-LBPRGKRZSA-N 0 0 306.410 0.438 50 0 DCAARN COCCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002275218 180917774 /nfs/dbraw/zinc/91/77/74/180917774.db2.gz SEOJQXDTEPLCFB-UHFFFAOYSA-N 0 0 307.354 0.060 50 0 DCAARN CC(C)=CC(=O)OCC(=O)NC(=O)[C@H]1COc2ccccc2O1 ZINC000003348027 181009677 /nfs/dbraw/zinc/00/96/77/181009677.db2.gz RRZKEHCQVNHBNY-CYBMUJFWSA-N 0 0 319.313 0.979 50 0 DCAARN CCOC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000003459962 181023180 /nfs/dbraw/zinc/02/31/80/181023180.db2.gz FNSRQUGCTROHSZ-OAHLLOKOSA-N 0 0 319.317 0.726 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(C(=O)O[C@H]2CCOC2=O)cc1 ZINC000003486129 181025800 /nfs/dbraw/zinc/02/58/00/181025800.db2.gz OIFCMKUWSUUZAQ-NSHDSACASA-N 0 0 313.331 0.409 50 0 DCAARN O=C(O[C@@H]1CCS(=O)(=O)C1)c1cnn(-c2ccccc2)n1 ZINC000073189719 191289125 /nfs/dbraw/zinc/28/91/25/191289125.db2.gz HIBLSYTZBOYDGG-LLVKDONJSA-N 0 0 307.331 0.611 50 0 DCAARN CC1=C(C(N)=O)[C@H](c2cccs2)N2NC(CCCO)=NC2=N1 ZINC000004294237 181093883 /nfs/dbraw/zinc/09/38/83/181093883.db2.gz UWAGTJLHCJESQV-LBPRGKRZSA-N 0 0 319.390 0.909 50 0 DCAARN CNC(=O)CCCc1nnc2n1c1ccsc1c(=O)n2C ZINC000004315891 181096764 /nfs/dbraw/zinc/09/67/64/181096764.db2.gz NNKJNLWKFDOMDE-UHFFFAOYSA-N 0 0 305.363 0.711 50 0 DCAARN Cc1ccccc1NC(=O)CSc1nnc(C)c(=O)n1N ZINC000004338019 181099970 /nfs/dbraw/zinc/09/99/70/181099970.db2.gz YVHHKLNCJQZMEU-UHFFFAOYSA-N 0 0 305.363 0.700 50 0 DCAARN Cc1csc(NC(=O)CSc2nnc(C)c(=O)n2N)n1 ZINC000004337983 181100036 /nfs/dbraw/zinc/10/00/36/181100036.db2.gz WNTYNPBXUFEZMF-UHFFFAOYSA-N 0 0 312.380 0.156 50 0 DCAARN COc1ccc(N2C[C@H](NC(=O)N3CCOCC3)CC2=O)cc1 ZINC000004373442 181103594 /nfs/dbraw/zinc/10/35/94/181103594.db2.gz QBMYTLPPJJXQHJ-GFCCVEGCSA-N 0 0 319.361 0.842 50 0 DCAARN Cc1ccc(NC2=C(Cl)C(=O)O[C@H]2C(C(N)=O)C(N)=O)cc1 ZINC000004574747 181126056 /nfs/dbraw/zinc/12/60/56/181126056.db2.gz YWANTHAWMWQFFP-NSHDSACASA-N 0 0 323.736 0.370 50 0 DCAARN CC(=O)c1cc2c(cc1NC(=O)CCn1cnnn1)OCO2 ZINC000004727241 181143333 /nfs/dbraw/zinc/14/33/33/181143333.db2.gz ITRJYZFFZAEMLX-UHFFFAOYSA-N 0 0 303.278 0.633 50 0 DCAARN C[C@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1c[nH]cn1 ZINC000004955571 181178693 /nfs/dbraw/zinc/17/86/93/181178693.db2.gz CWQVKLRPBDHTOV-WDEREUQCSA-N 0 0 314.411 0.725 50 0 DCAARN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCOC(C)(C)C2)C1 ZINC000073872110 191351151 /nfs/dbraw/zinc/35/11/51/191351151.db2.gz 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/nfs/dbraw/zinc/51/63/16/192516316.db2.gz ICCIIDUZLBHYFJ-LBPRGKRZSA-N 0 0 308.334 0.585 50 0 DCAARN C[C@H](OC(=O)C1=COCCO1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000005895287 181293975 /nfs/dbraw/zinc/29/39/75/181293975.db2.gz GDWLNXCTZRCAIB-VIFPVBQESA-N 0 0 320.301 0.544 50 0 DCAARN O=C(NCc1ccc(=O)[nH]c1)[C@H]1COCCN1CC1CCC1 ZINC000185683703 199877593 /nfs/dbraw/zinc/87/75/93/199877593.db2.gz NZRKSEWRVFGYBT-CQSZACIVSA-N 0 0 305.378 0.904 50 0 DCAARN Cc1ccccc1[C@@H]1CN(C(=O)CN2CCNCC2=O)CCO1 ZINC000237641219 202313880 /nfs/dbraw/zinc/31/38/80/202313880.db2.gz RBOMQAVYADRQHB-HNNXBMFYSA-N 0 0 317.389 0.327 50 0 DCAARN O=C(NC[C@]1(O)CCSC1)[C@@H]1COCCN1C1CCCC1 ZINC000189204308 200363886 /nfs/dbraw/zinc/36/38/86/200363886.db2.gz QQBLCDOEBTYESG-DZGCQCFKSA-N 0 0 314.451 0.614 50 0 DCAARN Cc1nc([C@@H]2CN(c3nnnn3-c3ccccc3)CCO2)no1 ZINC000242389222 202472606 /nfs/dbraw/zinc/47/26/06/202472606.db2.gz ZVHMODQRTZNVMS-LBPRGKRZSA-N 0 0 313.321 0.932 50 0 DCAARN O=C(CN1CCOCC1)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000240517140 202458912 /nfs/dbraw/zinc/45/89/12/202458912.db2.gz NVKYOGARSUMDFS-XJKCOSOUSA-N 0 0 305.378 0.342 50 0 DCAARN NC(=O)C1(NC(=O)Cn2cc(-c3ccccc3)nn2)CCCC1 ZINC000089851239 192884919 /nfs/dbraw/zinc/88/49/19/192884919.db2.gz BJQYYTZPWDUTMQ-UHFFFAOYSA-N 0 0 313.361 0.859 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000089904348 192901853 /nfs/dbraw/zinc/90/18/53/192901853.db2.gz UTWSKGHKTOJRFQ-OLZOCXBDSA-N 0 0 317.397 0.989 50 0 DCAARN COCCN1C[C@@H](C(=O)N2Cc3cnc(C)cc3C2)CC1=O ZINC000244724402 202493905 /nfs/dbraw/zinc/49/39/05/202493905.db2.gz MTCZAZSIDOMKKF-ZDUSSCGKSA-N 0 0 303.362 0.727 50 0 DCAARN CNC(=O)c1noc(CN(C)Cc2nc(CC(C)C)no2)n1 ZINC000244816971 202499880 /nfs/dbraw/zinc/49/98/80/202499880.db2.gz SRZZLBXFYUGNQE-UHFFFAOYSA-N 0 0 308.342 0.643 50 0 DCAARN CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1COc2ccccc2O1 ZINC000006612496 181360851 /nfs/dbraw/zinc/36/08/51/181360851.db2.gz OKAPATYHJOVFJD-CABZTGNLSA-N 0 0 322.317 0.604 50 0 DCAARN NC(=O)c1ccccc1NC(=O)Cn1nnc2ccccc2c1=O ZINC000006659645 181366918 /nfs/dbraw/zinc/36/69/18/181366918.db2.gz YZOFNNLDCCKWMG-UHFFFAOYSA-N 0 0 323.312 0.529 50 0 DCAARN Cn1c(=O)c2sccc2n(CC(=O)NC2CCCC2)c1=O ZINC000006679517 181369896 /nfs/dbraw/zinc/36/98/96/181369896.db2.gz VLBHRQUEJGVWLK-UHFFFAOYSA-N 0 0 307.375 0.821 50 0 DCAARN Cc1noc(C)c1CC(=O)NC[C@@H](O)Cn1ccccc1=O ZINC000206889731 201432428 /nfs/dbraw/zinc/43/24/28/201432428.db2.gz XYTQPGUFUPINFI-GFCCVEGCSA-N 0 0 305.334 0.173 50 0 DCAARN CCCN1CCC[C@]2(CCN(C(=O)CN3CCOC3=O)C2)C1=O ZINC000091326519 193041105 /nfs/dbraw/zinc/04/11/05/193041105.db2.gz NJYFPSILEWDIJQ-MRXNPFEDSA-N 0 0 323.393 0.690 50 0 DCAARN CC[C@@H](C(=O)NCCn1c(C)cc(C)nc1=O)n1cccn1 ZINC000091425920 193054157 /nfs/dbraw/zinc/05/41/57/193054157.db2.gz YEPMYSPAZYHLPT-ZDUSSCGKSA-N 0 0 303.366 0.824 50 0 DCAARN O=C(Cn1ccnc1-c1ccccc1)NCCN1CCNC1=O ZINC000091616758 193079164 /nfs/dbraw/zinc/07/91/64/193079164.db2.gz CBPGVFIAYNQAPU-UHFFFAOYSA-N 0 0 313.361 0.692 50 0 DCAARN CN(Cc1noc(C2CCC2)n1)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000091504028 193066030 /nfs/dbraw/zinc/06/60/30/193066030.db2.gz ZAXKFMDJZVQABU-VIFPVBQESA-N 0 0 321.337 0.284 50 0 DCAARN Cn1cc(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3=O)cn1 ZINC000091643742 193084214 /nfs/dbraw/zinc/08/42/14/193084214.db2.gz WUONNROKHNEPNL-ZDUSSCGKSA-N 0 0 312.395 0.053 50 0 DCAARN Cc1nc(CCCNC(=O)CC[C@@H]2NC(=O)NC2=O)sc1C ZINC000091645749 193084524 /nfs/dbraw/zinc/08/45/24/193084524.db2.gz NHWQRQLICFFJMI-JTQLQIEISA-N 0 0 324.406 0.797 50 0 DCAARN COCCc1noc(CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 ZINC000091665837 193088448 /nfs/dbraw/zinc/08/84/48/193088448.db2.gz FUWCUODDWYHCLD-SNVBAGLBSA-N 0 0 324.381 0.522 50 0 DCAARN O=C(c1cscn1)N1CCC2(CCC(=O)N(CCO)C2)CC1 ZINC000091694562 193092994 /nfs/dbraw/zinc/09/29/94/193092994.db2.gz UKOWOSHMHXGYSM-UHFFFAOYSA-N 0 0 323.418 0.980 50 0 DCAARN CNc1ccnc(N2C[C@H]3CC[C@@H](C2)C(=O)N3CCOC)n1 ZINC000091724718 193096667 /nfs/dbraw/zinc/09/66/67/193096667.db2.gz DTBZXXLTLJECIH-NWDGAFQWSA-N 0 0 305.382 0.592 50 0 DCAARN O=C(NCCN1CCNC1=O)c1cc(-c2ccc(O)cc2)n[nH]1 ZINC000092066409 193152589 /nfs/dbraw/zinc/15/25/89/193152589.db2.gz OIAGRNNDVQIZFB-UHFFFAOYSA-N 0 0 315.333 0.537 50 0 DCAARN Cc1nn(C)c(C)c1C(=O)NCc1nc(-c2cnccn2)n[nH]1 ZINC000220146221 201570180 /nfs/dbraw/zinc/57/01/80/201570180.db2.gz SYQKBNOXHNGYPI-UHFFFAOYSA-N 0 0 312.337 0.542 50 0 DCAARN NC(=O)[C@H]1COCCN1Cc1csc(-c2ccccn2)n1 ZINC000092230534 193177284 /nfs/dbraw/zinc/17/72/84/193177284.db2.gz WVOLEKUKXLSGHC-GFCCVEGCSA-N 0 0 304.375 0.891 50 0 DCAARN Cc1nonc1CC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000252492021 202847778 /nfs/dbraw/zinc/84/77/78/202847778.db2.gz MBBBSCGHQWKJJO-GFCCVEGCSA-N 0 0 322.365 0.018 50 0 DCAARN Cc1nc([C@H]2C[C@@H](NC(=O)c3cnc(N)nc3C)C2)cc(=O)[nH]1 ZINC000253535416 202896305 /nfs/dbraw/zinc/89/63/05/202896305.db2.gz OZPLSXMQIAQVHJ-AOOOYVTPSA-N 0 0 314.349 0.847 50 0 DCAARN CC(C)[C@H]1OCC[C@@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000253433611 202890277 /nfs/dbraw/zinc/89/02/77/202890277.db2.gz 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/nfs/dbraw/zinc/66/13/51/193661351.db2.gz CBRYIRQLSKZBSJ-UHFFFAOYSA-N 0 0 301.412 0.970 50 0 DCAARN CS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)c2ccccc2)C1=O ZINC000008036331 181520987 /nfs/dbraw/zinc/52/09/87/181520987.db2.gz MWCJGYJQENILCP-NSHDSACASA-N 0 0 324.358 0.224 50 0 DCAARN CN(C)C(=O)Cn1nc(Br)nc1Br ZINC000008296457 181544780 /nfs/dbraw/zinc/54/47/80/181544780.db2.gz WDMPMEACARKKGD-UHFFFAOYSA-N 0 0 311.965 0.891 50 0 DCAARN COc1ccccc1N1C[C@H](C(=O)NN2CCOCC2)CC1=O ZINC000009516217 181626344 /nfs/dbraw/zinc/62/63/44/181626344.db2.gz PRLUHBCLCYJMIC-GFCCVEGCSA-N 0 0 319.361 0.412 50 0 DCAARN Cc1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)no1 ZINC000012792824 181798589 /nfs/dbraw/zinc/79/85/89/181798589.db2.gz DFLHCIAIJCYUMF-NSHDSACASA-N 0 0 308.338 0.838 50 0 DCAARN NC(=O)Cc1ccc(Nc2ncnc3c2cnn3CCO)cc1 ZINC000097199734 193686579 /nfs/dbraw/zinc/68/65/79/193686579.db2.gz PRTPGVBNKBRMHH-UHFFFAOYSA-N 0 0 312.333 0.590 50 0 DCAARN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000015400893 182000643 /nfs/dbraw/zinc/00/06/43/182000643.db2.gz JMMIPBCTCGEWEX-STQMWFEESA-N 0 0 317.455 0.259 50 0 DCAARN O=C(CSc1n[nH]c(=O)n1-c1ccccc1)N1CCOCC1 ZINC000015923306 182024705 /nfs/dbraw/zinc/02/47/05/182024705.db2.gz XSAUHZPMHNRLLV-UHFFFAOYSA-N 0 0 320.374 0.512 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NC(C)(C)CO)c1 ZINC000016648889 182055572 /nfs/dbraw/zinc/05/55/72/182055572.db2.gz DHKXXWPZKBTGKS-UHFFFAOYSA-N 0 0 318.370 0.577 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cncn1-c1ccc(F)cc1 ZINC000017636906 182085401 /nfs/dbraw/zinc/08/54/01/182085401.db2.gz AGOQQWRVVDVTHR-NSHDSACASA-N 0 0 323.349 0.928 50 0 DCAARN CCC(=O)n1nc(C)c(S(=O)(=O)N2CCOCC2)c1C ZINC000017268555 182081091 /nfs/dbraw/zinc/08/10/91/182081091.db2.gz JDUDSFPHEVRQME-UHFFFAOYSA-N 0 0 301.368 0.571 50 0 DCAARN Nc1cc(=O)[nH]c(SCC(=O)NCCc2ccccc2)n1 ZINC000018152722 182095328 /nfs/dbraw/zinc/09/53/28/182095328.db2.gz CQRZQNZQODSBCZ-UHFFFAOYSA-N 0 0 304.375 0.803 50 0 DCAARN Cc1cccc(NC(=O)C(=O)NCCCN2CCOCC2)c1 ZINC000019831227 182154376 /nfs/dbraw/zinc/15/43/76/182154376.db2.gz ZZPQDIMMVWETEJ-UHFFFAOYSA-N 0 0 305.378 0.772 50 0 DCAARN CN(CC(=O)NCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000020678690 182242586 /nfs/dbraw/zinc/24/25/86/182242586.db2.gz WRXCEXSUPMTBKE-CYBMUJFWSA-N 0 0 314.382 0.561 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1c[nH]c2ccccc21 ZINC000020914593 182253599 /nfs/dbraw/zinc/25/35/99/182253599.db2.gz JIRKHDRSDOHDPM-ZDUSSCGKSA-N 0 0 315.329 0.672 50 0 DCAARN CSCC[C@H]1NC(=O)N(CC(=O)N[C@@H](C)C(C)C)C1=O ZINC000020823633 182247826 /nfs/dbraw/zinc/24/78/26/182247826.db2.gz MGBWCHCVSRQOHR-VHSXEESVSA-N 0 0 301.412 0.821 50 0 DCAARN CCCc1cc(=O)n2nc(N(C)CC(=O)NCC)sc2n1 ZINC000021165496 182268493 /nfs/dbraw/zinc/26/84/93/182268493.db2.gz DXRCCLIHTZQJEM-UHFFFAOYSA-N 0 0 309.395 0.676 50 0 DCAARN CCNC(=O)NC(=O)CN1CCN(Cc2ccccn2)CC1 ZINC000022011896 182303885 /nfs/dbraw/zinc/30/38/85/182303885.db2.gz DEHLACKSCDRIMG-UHFFFAOYSA-N 0 0 305.382 0.045 50 0 DCAARN Cc1cccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 ZINC000022090866 182308514 /nfs/dbraw/zinc/30/85/14/182308514.db2.gz PLUDNYGWQNDGBG-HZPDHXFCSA-N 0 0 324.446 0.271 50 0 DCAARN CCn1c2ccccc2n(CC(=O)N2CCOCC2)c(=O)c1=O ZINC000021943934 182299588 /nfs/dbraw/zinc/29/95/88/182299588.db2.gz AIEOESAJKVHNRH-UHFFFAOYSA-N 0 0 317.345 0.042 50 0 DCAARN CNS(=O)(=O)c1ccc(C)c(C(=O)NCCCOC)c1 ZINC000022190103 182312433 /nfs/dbraw/zinc/31/24/33/182312433.db2.gz FHWLCAKLHWXNJO-UHFFFAOYSA-N 0 0 300.380 0.669 50 0 DCAARN COc1ccc(CCNC(=O)CN(C)S(C)(=O)=O)cc1 ZINC000022606426 182327118 /nfs/dbraw/zinc/32/71/18/182327118.db2.gz FZULZWNRZFWKGQ-UHFFFAOYSA-N 0 0 300.380 0.245 50 0 DCAARN COc1ccc(NC(=O)C[C@@H](C(=O)[O-])N2CC[NH2+]CC2)cc1 ZINC000022592490 182327206 /nfs/dbraw/zinc/32/72/06/182327206.db2.gz JAYMMYDFVQTQMC-ZDUSSCGKSA-N 0 0 307.350 0.382 50 0 DCAARN CC(C)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000023134144 182349841 /nfs/dbraw/zinc/34/98/41/182349841.db2.gz XXOAOXAOZRDFKV-UHFFFAOYSA-N 0 0 314.393 0.963 50 0 DCAARN CC(C)(C)c1ccc(CCC(=O)NC(C(N)=O)C(N)=O)cc1 ZINC000023388315 182359532 /nfs/dbraw/zinc/35/95/32/182359532.db2.gz QQPBJMBIQHOQDC-UHFFFAOYSA-N 0 0 305.378 0.372 50 0 DCAARN CCCCN(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000023390383 182360314 /nfs/dbraw/zinc/36/03/14/182360314.db2.gz DXXZBZYMHDNCDZ-UHFFFAOYSA-N 0 0 311.363 0.637 50 0 DCAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCNC(=O)C1 ZINC000023421155 182361019 /nfs/dbraw/zinc/36/10/19/182361019.db2.gz MRAXFRZZXXZOSZ-NSHDSACASA-N 0 0 305.334 0.260 50 0 DCAARN Cc1ccc(C(=O)COC(=O)CN2C(=O)CN(C)C2=O)cc1 ZINC000024418396 182380229 /nfs/dbraw/zinc/38/02/29/182380229.db2.gz VDRPQGBEUAQKOW-UHFFFAOYSA-N 0 0 304.302 0.615 50 0 DCAARN Cc1cnc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cn1 ZINC000024689649 182387669 /nfs/dbraw/zinc/38/76/69/182387669.db2.gz VRTXCFIOSFDIRZ-NSHDSACASA-N 0 0 312.395 0.329 50 0 DCAARN CNc1ccccc1C(=O)OCc1nc(N)nc(N(C)C)n1 ZINC000024957494 182396317 /nfs/dbraw/zinc/39/63/17/182396317.db2.gz RYYRTLFTCMJWBP-UHFFFAOYSA-N 0 0 302.338 0.919 50 0 DCAARN CN(C(=O)c1ccc(-n2ccnc2)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000024970924 182396832 /nfs/dbraw/zinc/39/68/32/182396832.db2.gz OQICLXVOMVYJRL-LBPRGKRZSA-N 0 0 320.374 0.526 50 0 DCAARN CN(C(=O)c1cc(=O)[nH]c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000032780635 182664260 /nfs/dbraw/zinc/66/42/60/182664260.db2.gz ZQOKQWSGAGVFEK-JTQLQIEISA-N 0 0 320.370 0.787 50 0 DCAARN CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCOC[C@@H]2C)cc1 ZINC000033050331 182690723 /nfs/dbraw/zinc/69/07/23/182690723.db2.gz UEHBNKWGGSRBHP-ZCRIDZFUSA-N 0 0 324.402 0.855 50 0 DCAARN COc1ccc(S(=O)(=O)NCC(=O)N2CCCC2)cc1F ZINC000032923794 182681203 /nfs/dbraw/zinc/68/12/03/182681203.db2.gz FGHAEENGFTXPHI-UHFFFAOYSA-N 0 0 316.354 0.735 50 0 DCAARN O=C(CCNC(=O)[C@H]1CC(c2ccccc2)=NO1)NC1CC1 ZINC000036015187 182792637 /nfs/dbraw/zinc/79/26/37/182792637.db2.gz VGRKSQIFXYKQPR-CQSZACIVSA-N 0 0 301.346 0.965 50 0 DCAARN COc1ccccc1CCNC(=O)Cn1cnc(C)cc1=O ZINC000038509511 183001062 /nfs/dbraw/zinc/00/10/62/183001062.db2.gz UXGYPCYEPJUKPA-UHFFFAOYSA-N 0 0 301.346 0.919 50 0 DCAARN Cc1nnc(CNC(=O)CCn2nnc3ccccc3c2=O)o1 ZINC000038679964 183006630 /nfs/dbraw/zinc/00/66/30/183006630.db2.gz OFYFWTZJCUDBRQ-UHFFFAOYSA-N 0 0 314.305 0.189 50 0 DCAARN NC(=O)C1CCN(C(=O)C2(n3cnnn3)CCCCC2)CC1 ZINC000040266246 183049252 /nfs/dbraw/zinc/04/92/52/183049252.db2.gz BTQZINJFWHAZCO-UHFFFAOYSA-N 0 0 306.370 0.056 50 0 DCAARN CC(C)Cc1noc(CS(=O)(=O)CC(=O)NCC2CC2)n1 ZINC000040106326 183035445 /nfs/dbraw/zinc/03/54/45/183035445.db2.gz VPJNLYXFPNOFAU-UHFFFAOYSA-N 0 0 315.395 0.709 50 0 DCAARN C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181986505 296262739 /nfs/dbraw/zinc/26/27/39/296262739.db2.gz PGAOMABGVLUDIP-SSDOTTSWSA-N 0 0 323.296 0.609 50 0 DCAARN COC(=O)CCNS(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000040429725 183066291 /nfs/dbraw/zinc/06/62/91/183066291.db2.gz QRHSXGVIPWLUGT-UHFFFAOYSA-N 0 0 301.320 0.315 50 0 DCAARN O=C(NC[C@@H]1CCCO1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000040480620 183076440 /nfs/dbraw/zinc/07/64/40/183076440.db2.gz VZORCFVLTOVOQC-UONOGXRCSA-N 0 0 301.350 0.752 50 0 DCAARN O=S(=O)(NCCc1cn2ccccc2n1)N1CCOCC1 ZINC000040488272 183078385 /nfs/dbraw/zinc/07/83/85/183078385.db2.gz DASNPIJAKVFQEJ-UHFFFAOYSA-N 0 0 310.379 0.043 50 0 DCAARN NS(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)n[nH]2)cc1 ZINC000040497439 183081896 /nfs/dbraw/zinc/08/18/96/183081896.db2.gz RWUUYNZETKIBAZ-UHFFFAOYSA-N 0 0 320.374 0.865 50 0 DCAARN CC(=O)NCCCNC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000040498432 183082570 /nfs/dbraw/zinc/08/25/70/183082570.db2.gz QVJZJNRVEOQGQU-GFCCVEGCSA-N 0 0 307.350 0.652 50 0 DCAARN COCCN(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000040501312 183083657 /nfs/dbraw/zinc/08/36/57/183083657.db2.gz QPDWLHFXBWVTBU-UHFFFAOYSA-N 0 0 312.414 0.884 50 0 DCAARN NC(=O)CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000040528488 183093518 /nfs/dbraw/zinc/09/35/18/183093518.db2.gz YBULFDRFSWDBPJ-UHFFFAOYSA-N 0 0 319.766 0.901 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N[C@H](C)CN1CCOCC1 ZINC000040528150 183093628 /nfs/dbraw/zinc/09/36/28/183093628.db2.gz NPIQXGPVTRRNEL-SECBINFHSA-N 0 0 303.384 0.290 50 0 DCAARN CCN(CC)S(=O)(=O)NCc1cccnc1-n1cncn1 ZINC000040527739 183093682 /nfs/dbraw/zinc/09/36/82/183093682.db2.gz QCAIRVYVDULGLO-UHFFFAOYSA-N 0 0 310.383 0.339 50 0 DCAARN COc1ccccc1-c1noc(CS(=O)(=O)CC(N)=O)n1 ZINC000040528650 183093972 /nfs/dbraw/zinc/09/39/72/183093972.db2.gz GQXVKKITBYKNNM-UHFFFAOYSA-N 0 0 311.319 0.145 50 0 DCAARN COc1cccc(COCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000040529742 183093989 /nfs/dbraw/zinc/09/39/89/183093989.db2.gz XLUYZMJBTWZMBY-GFCCVEGCSA-N 0 0 313.375 0.515 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1ccsc1 ZINC000040534485 183095063 /nfs/dbraw/zinc/09/50/63/183095063.db2.gz BRNJZFIVYODONC-NSHDSACASA-N 0 0 305.359 0.962 50 0 DCAARN Cc1cc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)on1 ZINC000040542773 183098355 /nfs/dbraw/zinc/09/83/55/183098355.db2.gz DLGFWFLQPBNNQG-SNVBAGLBSA-N 0 0 301.368 0.384 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 ZINC000040542827 183098649 /nfs/dbraw/zinc/09/86/49/183098649.db2.gz OUQYKMLKGFUOBF-QWHCGFSZSA-N 0 0 318.439 0.733 50 0 DCAARN Cc1nn2cccnc2c1C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000040554916 183101435 /nfs/dbraw/zinc/10/14/35/183101435.db2.gz NMMMKVHBGFZISN-UHFFFAOYSA-N 0 0 315.377 0.978 50 0 DCAARN COC[C@H](C)N(C)C(=O)Cn1c2ccccc2c(=O)[nH]c1=O ZINC000040555186 183101955 /nfs/dbraw/zinc/10/19/55/183101955.db2.gz MYDFVZOGYIAIFV-JTQLQIEISA-N 0 0 305.334 0.183 50 0 DCAARN COc1cc(CCC(=O)N2CC[C@@H](C(N)=O)C2)cc(OC)c1 ZINC000041128712 183169589 /nfs/dbraw/zinc/16/95/89/183169589.db2.gz KXIZHVHEYAZEHE-GFCCVEGCSA-N 0 0 306.362 0.970 50 0 DCAARN COc1ccccc1CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC000041593105 183207738 /nfs/dbraw/zinc/20/77/38/183207738.db2.gz MJVSIFUKPCGITM-LLVKDONJSA-N 0 0 305.334 0.342 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000041653022 183213440 /nfs/dbraw/zinc/21/34/40/183213440.db2.gz ZNOPAYYTMOYVAX-JTQLQIEISA-N 0 0 322.390 0.717 50 0 DCAARN CCCS(=O)(=O)N[C@H](C)C(=O)NCc1cccnc1OC ZINC000042494437 183277150 /nfs/dbraw/zinc/27/71/50/183277150.db2.gz LZCSSUGORHQKLK-SNVBAGLBSA-N 0 0 315.395 0.424 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000102181233 193866497 /nfs/dbraw/zinc/86/64/97/193866497.db2.gz STWKXGDRMHFMFH-CHWSQXEVSA-N 0 0 316.361 0.330 50 0 DCAARN CC[C@H](C)n1nccc1NC(=O)c1c[nH]c2ncnn2c1=O ZINC000102364135 193879265 /nfs/dbraw/zinc/87/92/65/193879265.db2.gz SDYITWPYCHRMIU-QMMMGPOBSA-N 0 0 301.310 0.837 50 0 DCAARN Cc1nc2[nH]cnn2c(=O)c1CCC(=O)Nc1cnn(C)c1 ZINC000105826350 194137578 /nfs/dbraw/zinc/13/75/78/194137578.db2.gz AAKWKJMUTYZWDQ-UHFFFAOYSA-N 0 0 301.310 0.443 50 0 DCAARN C[C@@H]1CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@H](C)O1 ZINC000047439503 183591328 /nfs/dbraw/zinc/59/13/28/183591328.db2.gz RINKELBNALVDDC-TXEJJXNPSA-N 0 0 301.350 0.841 50 0 DCAARN Cc1ccc(NCCCNC(=O)N2CCNC(=O)[C@H]2C)nc1 ZINC000106533130 194226243 /nfs/dbraw/zinc/22/62/43/194226243.db2.gz DXUYOWFNZQOPLK-GFCCVEGCSA-N 0 0 305.382 0.722 50 0 DCAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)CNC(=O)Cn1cncn1 ZINC000048302396 183641430 /nfs/dbraw/zinc/64/14/30/183641430.db2.gz CMLGKWDGIXIVDS-LLVKDONJSA-N 0 0 319.340 0.753 50 0 DCAARN CN(CCCNc1ncc(C(N)=O)cc1Cl)S(C)(=O)=O ZINC000048608189 183671275 /nfs/dbraw/zinc/67/12/75/183671275.db2.gz YXQNGFLYVQCAIB-UHFFFAOYSA-N 0 0 320.802 0.527 50 0 DCAARN Cc1csc(N2CCN(CC(=O)N3CCNC3=O)C[C@H]2C)n1 ZINC000106775728 194251963 /nfs/dbraw/zinc/25/19/63/194251963.db2.gz XMGBKMMJIZDHHX-LLVKDONJSA-N 0 0 323.422 0.514 50 0 DCAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCO[C@H]3CCC[C@@H]32)C1=O ZINC000053383486 183900548 /nfs/dbraw/zinc/90/05/48/183900548.db2.gz WDRKNYQGSFSMCR-MQIPJXDCSA-N 0 0 321.377 0.487 50 0 DCAARN Cc1noc([C@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)n1 ZINC000054121416 183925082 /nfs/dbraw/zinc/92/50/82/183925082.db2.gz AXJKCFCXWJMFEZ-JTQLQIEISA-N 0 0 305.338 0.692 50 0 DCAARN CCc1nnsc1C(=O)NCCn1nc2ccccn2c1=O ZINC000057240027 184030585 /nfs/dbraw/zinc/03/05/85/184030585.db2.gz IEUIEUBRJQBGEK-UHFFFAOYSA-N 0 0 318.362 0.340 50 0 DCAARN CNC(=O)c1nn(C)cc1Nc1nc(N)nc2c1nc(C)n2C ZINC000057279165 184031441 /nfs/dbraw/zinc/03/14/41/184031441.db2.gz GHFOQKJXJBLLRK-UHFFFAOYSA-N 0 0 315.341 0.091 50 0 DCAARN Cn1nc(C(=O)NC2CC2)cc1OCC(=O)N1CCCCC1 ZINC000057355348 184035941 /nfs/dbraw/zinc/03/59/41/184035941.db2.gz PUDKLGTXRWAMIZ-UHFFFAOYSA-N 0 0 306.366 0.704 50 0 DCAARN CCOC(=O)C1CCN([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000057378943 184036287 /nfs/dbraw/zinc/03/62/87/184036287.db2.gz KFROGWWBPRYNOB-JTQLQIEISA-N 0 0 322.413 0.856 50 0 DCAARN COC(=O)C1=C(C)NC(=S)N[C@H]1c1c(OC)ncnc1OC ZINC000057531510 184041596 /nfs/dbraw/zinc/04/15/96/184041596.db2.gz VABYANJLSUQUIS-SECBINFHSA-N 0 0 324.362 0.460 50 0 DCAARN Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccccc1C(N)=O ZINC000057924879 184062697 /nfs/dbraw/zinc/06/26/97/184062697.db2.gz QYEARGILZXKCJQ-UHFFFAOYSA-N 0 0 300.318 0.957 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1ccc(Cl)s1 ZINC000058178713 184084904 /nfs/dbraw/zinc/08/49/04/184084904.db2.gz SJCWSQLYMCCYLL-UHFFFAOYSA-N 0 0 312.800 0.524 50 0 DCAARN CCNC(=O)NC(=O)CN1CCN(C(=O)OCC(C)C)CC1 ZINC000058201152 184087138 /nfs/dbraw/zinc/08/71/38/184087138.db2.gz IMWMBHZOIDLQPO-UHFFFAOYSA-N 0 0 314.386 0.242 50 0 DCAARN COc1ccc(CCC(=O)N2CCN(CCC(N)=O)CC2)cc1 ZINC000058201648 184087290 /nfs/dbraw/zinc/08/72/90/184087290.db2.gz CTHTVTQIYVRGRL-UHFFFAOYSA-N 0 0 319.405 0.647 50 0 DCAARN COc1cccc(C(=O)O[C@H](C)C(=O)N2CCNC2=O)c1O ZINC000058157033 184081671 /nfs/dbraw/zinc/08/16/71/184081671.db2.gz SRIDTNOZTVHEEM-MRVPVSSYSA-N 0 0 308.290 0.498 50 0 DCAARN COc1ccc2cc(C(=O)NCCNS(C)(=O)=O)[nH]c2c1 ZINC000058377719 184110159 /nfs/dbraw/zinc/11/01/59/184110159.db2.gz DCTCEHKOVLPWFN-UHFFFAOYSA-N 0 0 311.363 0.456 50 0 DCAARN CCN(CCOC(C)(C)C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000058245806 184094200 /nfs/dbraw/zinc/09/42/00/184094200.db2.gz CVJFUFUBYQNPIX-GFCCVEGCSA-N 0 0 320.455 0.427 50 0 DCAARN CN(C1CCN(C(=O)c2ccccc2O)CC1)S(C)(=O)=O ZINC000058299707 184102468 /nfs/dbraw/zinc/10/24/68/184102468.db2.gz FQFCCQRDQMEVTB-UHFFFAOYSA-N 0 0 312.391 0.888 50 0 DCAARN CC1CCN(S(=O)(=O)NCCCN2CCCC2=O)CC1 ZINC000058328634 184105675 /nfs/dbraw/zinc/10/56/75/184105675.db2.gz KTXMNJCHQWEBGZ-UHFFFAOYSA-N 0 0 303.428 0.565 50 0 DCAARN CC(=O)c1cccc(NC(=O)NC[C@@H](O)CN2CCCC2=O)c1 ZINC000058331594 184106707 /nfs/dbraw/zinc/10/67/07/184106707.db2.gz REVYSZGZCUEBPR-CQSZACIVSA-N 0 0 319.361 0.994 50 0 DCAARN O=C(CN1C(=O)CNC1=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000060504571 184150988 /nfs/dbraw/zinc/15/09/88/184150988.db2.gz QUHHOMWAMRYZAZ-UHFFFAOYSA-N 0 0 305.378 0.871 50 0 DCAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccnc1)NC1CCC1 ZINC000059314117 184136736 /nfs/dbraw/zinc/13/67/36/184136736.db2.gz VMZWDJWAXJPOFP-CQSZACIVSA-N 0 0 302.378 0.441 50 0 DCAARN CN1CCN(C(=O)CSc2nnnn2-c2ccccc2)CC1 ZINC000059565282 184139495 /nfs/dbraw/zinc/13/94/95/184139495.db2.gz LVZPVLIWGLIHSL-UHFFFAOYSA-N 0 0 318.406 0.528 50 0 DCAARN CC(C)NC(=O)c1ccccc1NC(=O)C(=O)N1CCOCC1 ZINC000059765733 184140878 /nfs/dbraw/zinc/14/08/78/184140878.db2.gz CNWXNYBUCVFKII-UHFFFAOYSA-N 0 0 319.361 0.622 50 0 DCAARN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)S(=O)(=O)c1nncn1C ZINC000060917021 184158152 /nfs/dbraw/zinc/15/81/52/184158152.db2.gz KRDAWJXQCFOKID-AXFHLTTASA-N 0 0 314.411 0.482 50 0 DCAARN O=C(NCCN1CCCS1(=O)=O)c1cc(-c2ccco2)n[nH]1 ZINC000061597924 184176444 /nfs/dbraw/zinc/17/64/44/184176444.db2.gz ZLTNIPZHPZHCCD-UHFFFAOYSA-N 0 0 324.362 0.435 50 0 DCAARN Cn1nc(C(=O)N2CCC(Cn3ccnc3)CC2)ccc1=O ZINC000062017567 184201631 /nfs/dbraw/zinc/20/16/31/184201631.db2.gz QGORNVVFEBVIFF-UHFFFAOYSA-N 0 0 301.350 0.529 50 0 DCAARN CN(CC1CCCC1)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000064089352 184291933 /nfs/dbraw/zinc/29/19/33/184291933.db2.gz GXIFBKRWYPXYFD-UHFFFAOYSA-N 0 0 314.411 0.347 50 0 DCAARN CC(C)(NC(=O)c1ccco1)c1nc2c(c(C(N)=O)n1)OCO2 ZINC000065293258 184323754 /nfs/dbraw/zinc/32/37/54/184323754.db2.gz YEFAQTQKSMDVOO-UHFFFAOYSA-N 0 0 318.289 0.562 50 0 DCAARN O=C(NCCc1ccccc1)N1CCN2CCNC(=O)[C@@H]2C1 ZINC000065380587 184332005 /nfs/dbraw/zinc/33/20/05/184332005.db2.gz HPEVUYDNHQDJFY-AWEZNQCLSA-N 0 0 302.378 0.055 50 0 DCAARN O=C(NCc1ccc(-n2cncn2)nc1)NC[C@@H]1CCCO1 ZINC000065410346 184340299 /nfs/dbraw/zinc/34/02/99/184340299.db2.gz RPBZNOADZYPABZ-LBPRGKRZSA-N 0 0 302.338 0.641 50 0 DCAARN COc1ncccc1CNC(=O)N(C)Cc1nnc2n1CCC2 ZINC000065415633 184340943 /nfs/dbraw/zinc/34/09/43/184340943.db2.gz IWTYLEFUSCNQLM-UHFFFAOYSA-N 0 0 316.365 0.970 50 0 DCAARN Cn1cnnc1[C@H]1CCCN(C(=O)NCCn2ccnc2)C1 ZINC000065449286 184345990 /nfs/dbraw/zinc/34/59/90/184345990.db2.gz AZMDZMQPAPBJNR-LBPRGKRZSA-N 0 0 303.370 0.601 50 0 DCAARN COC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccc(OC)c(C)c2)CN1C ZINC000065399091 184336867 /nfs/dbraw/zinc/33/68/67/184336867.db2.gz QQZQSRXDUXPKPK-KBPBESRZSA-N 0 0 320.389 0.908 50 0 DCAARN CN(CCNC(=O)C1(c2ccccc2F)CC1)S(C)(=O)=O ZINC000065398529 184336889 /nfs/dbraw/zinc/33/68/89/184336889.db2.gz HDLCIVVSWQQEKZ-UHFFFAOYSA-N 0 0 314.382 0.865 50 0 DCAARN CNc1ncc(CN(C)C(=O)[C@H]2CC(=O)N(CC(C)C)C2)cn1 ZINC000065526904 184359372 /nfs/dbraw/zinc/35/93/72/184359372.db2.gz DHDLXFNSTMZIHU-ZDUSSCGKSA-N 0 0 319.409 0.981 50 0 DCAARN CNc1ncc(CN(C)C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cn1 ZINC000065526902 184359660 /nfs/dbraw/zinc/35/96/60/184359660.db2.gz DHDLXFNSTMZIHU-CYBMUJFWSA-N 0 0 319.409 0.981 50 0 DCAARN CC(=O)N1CCN(CCNC(=O)Nc2nnc(C)s2)CC1 ZINC000065611089 184373088 /nfs/dbraw/zinc/37/30/88/184373088.db2.gz WGLSFJGDZXEPRD-UHFFFAOYSA-N 0 0 312.399 0.132 50 0 DCAARN CCNC(=O)NC(=O)Cn1nnc(-c2cc3ccccc3o2)n1 ZINC000065536339 184362257 /nfs/dbraw/zinc/36/22/57/184362257.db2.gz URNVBEKLMUPCRL-UHFFFAOYSA-N 0 0 314.305 0.932 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@H](c1ccccc1)N1CCSCC1 ZINC000065538425 184363373 /nfs/dbraw/zinc/36/33/73/184363373.db2.gz BRJUXKOSYVAICK-HNNXBMFYSA-N 0 0 321.446 0.981 50 0 DCAARN O=C(CCN1C(=O)CCC1=O)Nc1ccc(-n2ccnc2)nc1 ZINC000065547297 184363753 /nfs/dbraw/zinc/36/37/53/184363753.db2.gz JLLWUWCHEKRVAV-UHFFFAOYSA-N 0 0 313.317 0.745 50 0 DCAARN Cn1cnnc1[C@H]1CCCN(C(=O)N[C@H]2CCCCNC2=O)C1 ZINC000065553423 184365427 /nfs/dbraw/zinc/36/54/27/184365427.db2.gz TYMNPMWQANAOCB-RYUDHWBXSA-N 0 0 320.397 0.373 50 0 DCAARN CCOC1CCN(C(=O)CN(C)c2ncnc3nc[nH]c32)CC1 ZINC000065553004 184365754 /nfs/dbraw/zinc/36/57/54/184365754.db2.gz CPKUQKJXUAYOCY-UHFFFAOYSA-N 0 0 318.381 0.817 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2c(=O)onc2-c2ccccc2)CCO1 ZINC000065566386 184367265 /nfs/dbraw/zinc/36/72/65/184367265.db2.gz SGEDMIRLQICYBN-LLVKDONJSA-N 0 0 303.318 0.751 50 0 DCAARN COc1ccccc1CNC(=O)CN[C@@H](C)c1nncn1C ZINC000065496027 184355123 /nfs/dbraw/zinc/35/51/23/184355123.db2.gz WLYIOTBGRGOASP-NSHDSACASA-N 0 0 303.366 0.791 50 0 DCAARN C[C@H](C(=O)NCC(F)(F)F)N1CCC(N2CCNC2=O)CC1 ZINC000065624384 184375503 /nfs/dbraw/zinc/37/55/03/184375503.db2.gz TWBFDIHVACWCPD-SECBINFHSA-N 0 0 322.331 0.543 50 0 DCAARN Cn1c(C[S@](=O)CCCc2ccccc2)cc(=O)n(C)c1=O ZINC000066298150 184402101 /nfs/dbraw/zinc/40/21/01/184402101.db2.gz XTXWIZXDDPEHMJ-QFIPXVFZSA-N 0 0 320.414 0.966 50 0 DCAARN Cc1nnc2n1CCN(CC(=O)NCCc1cccs1)C2 ZINC000069461813 184517237 /nfs/dbraw/zinc/51/72/37/184517237.db2.gz ICRVXYHEUAYKCP-UHFFFAOYSA-N 0 0 305.407 0.823 50 0 DCAARN O=c1[nH]c2ccccc2n1CN1CCN(c2ncccn2)CC1 ZINC000025665597 285200797 /nfs/dbraw/zinc/20/07/97/285200797.db2.gz MHCNDVPBJUYBIE-UHFFFAOYSA-N 0 0 310.361 0.899 50 0 DCAARN O=C(CSc1nnc(-c2cccnc2)o1)N1CCNC1=O ZINC000008762611 256524026 /nfs/dbraw/zinc/52/40/26/256524026.db2.gz XTMACWXKRYGFED-UHFFFAOYSA-N 0 0 305.319 0.776 50 0 DCAARN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)S(=O)(=O)c1nncn1C ZINC000241287533 256602824 /nfs/dbraw/zinc/60/28/24/256602824.db2.gz LMIGAWNIBLXLBS-OUAUKWLOSA-N 0 0 314.411 0.672 50 0 DCAARN CN(CC(=O)NC(C)(C)C)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000252444251 256610529 /nfs/dbraw/zinc/61/05/29/256610529.db2.gz ZSARRHHMKUVZEG-VXGBXAGGSA-N 0 0 307.394 0.742 50 0 DCAARN O=C(CCn1cnnn1)NCc1cc(F)cc2c1OCOC2 ZINC000524735295 257213176 /nfs/dbraw/zinc/21/31/76/257213176.db2.gz OWIVGAYQFLWWCC-UHFFFAOYSA-N 0 0 307.285 0.385 50 0 DCAARN Cc1noc(C)c1CN1CCN(C(=O)[C@H](C)n2cnnn2)CC1 ZINC000524732439 257213804 /nfs/dbraw/zinc/21/38/04/257213804.db2.gz DBOIYKQWHLDSNT-NSHDSACASA-N 0 0 319.369 0.183 50 0 DCAARN CCOC(=O)Cc1csc(NC(=O)CCn2cnnn2)n1 ZINC000524732803 257214167 /nfs/dbraw/zinc/21/41/67/257214167.db2.gz OUCXXROEJDNYQQ-UHFFFAOYSA-N 0 0 310.339 0.264 50 0 DCAARN COc1ccc(N2C(=O)C[C@@H](N3CCC(=O)CC3)C2=O)cc1 ZINC000096307055 257272073 /nfs/dbraw/zinc/27/20/73/257272073.db2.gz FWIFBEUXMDXZNC-CQSZACIVSA-N 0 0 302.330 0.992 50 0 DCAARN O=C(CN1CCNCC1=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000237879160 257237635 /nfs/dbraw/zinc/23/76/35/257237635.db2.gz IKDSGBLHRMOGOP-CQSZACIVSA-N 0 0 321.352 0.157 50 0 DCAARN CO[C@H]1COC[C@H]1S(=O)(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000521395650 257240722 /nfs/dbraw/zinc/24/07/22/257240722.db2.gz XSUDPMHBESRFAQ-AQUOVQTQSA-N 0 0 318.395 0.556 50 0 DCAARN Cc1cc(=O)c(C(=O)NCC2(CN3CCOCC3)CC2)cn1C ZINC000426722375 257243640 /nfs/dbraw/zinc/24/36/40/257243640.db2.gz FVXARWFXVXNVBF-UHFFFAOYSA-N 0 0 319.405 0.536 50 0 DCAARN O=C(NCc1cc2n(n1)CCN([C@H]1CCOC1)C2)C1CCC1 ZINC000426697311 257244018 /nfs/dbraw/zinc/24/40/18/257244018.db2.gz IMWPJPNBGJKDSX-AWEZNQCLSA-N 0 0 304.394 0.904 50 0 DCAARN CCc1n[nH]c2c1CN(C(=O)[C@H](C)N1CCN(C)CC1)CC2 ZINC000426689896 257244695 /nfs/dbraw/zinc/24/46/95/257244695.db2.gz QJRKMGCERCLAIQ-LBPRGKRZSA-N 0 0 305.426 0.493 50 0 DCAARN O=C([O-])Cn1nccc1[C@@H]1CCC[N@H+](CCn2cnnc2)C1 ZINC000426647000 257244966 /nfs/dbraw/zinc/24/49/66/257244966.db2.gz GZOIGVWDPFWROG-GFCCVEGCSA-N 0 0 304.354 0.439 50 0 DCAARN CCn1cnnc1CCNC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000426596422 257246294 /nfs/dbraw/zinc/24/62/94/257246294.db2.gz BZWKVHWSYOMJIG-UHFFFAOYSA-N 0 0 315.333 0.601 50 0 DCAARN Cc1ccn2c(nnc2C(=O)NCc2ccc3nonc3c2)n1 ZINC000426498752 257248531 /nfs/dbraw/zinc/24/85/31/257248531.db2.gz SCYOTSFNGHYSBF-UHFFFAOYSA-N 0 0 309.289 0.899 50 0 DCAARN NC(=O)Cn1cc(-c2cccc(CN3CCOCC3)c2)cn1 ZINC000426444373 257250626 /nfs/dbraw/zinc/25/06/26/257250626.db2.gz APTGTPJHYWKDOJ-UHFFFAOYSA-N 0 0 300.362 0.868 50 0 DCAARN CC[C@]1(C(N)=O)CCCN(C(=O)c2cn(C)c(C)cc2=O)C1 ZINC000426415228 257251391 /nfs/dbraw/zinc/25/13/91/257251391.db2.gz AOMQFQCARJFCBJ-INIZCTEOSA-N 0 0 305.378 0.811 50 0 DCAARN Cc1nn(C)cc1CNC(=O)N1Cc2nc(C)[nH]c(=O)c2C1 ZINC000426382901 257252162 /nfs/dbraw/zinc/25/21/62/257252162.db2.gz JXHFIXXUKPFLLV-UHFFFAOYSA-N 0 0 302.338 0.758 50 0 DCAARN CC(C)n1cnnc1CCNC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000426389557 257252677 /nfs/dbraw/zinc/25/26/77/257252677.db2.gz ATKWKYJRQLSLDE-NSHDSACASA-N 0 0 308.386 0.308 50 0 DCAARN CN(Cc1nnc2n1CCC2)C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000011120739 257254013 /nfs/dbraw/zinc/25/40/13/257254013.db2.gz QTUMLIIQFRGVGG-UHFFFAOYSA-N 0 0 324.344 0.733 50 0 DCAARN CO[C@@H]1[C@H](C)[C@H](NC(=O)N[C@H]2CCS(=O)(=O)C2)C1(C)C ZINC000252512612 257258527 /nfs/dbraw/zinc/25/85/27/257258527.db2.gz SYYGWYVTIAKZIS-VPOLOUISSA-N 0 0 304.412 0.532 50 0 DCAARN NC(=O)[C@@H]1CN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CCO1 ZINC000071847852 184868393 /nfs/dbraw/zinc/86/83/93/184868393.db2.gz KRMSRAUSMRJEOF-KBPBESRZSA-N 0 0 321.352 0.332 50 0 DCAARN C[C@@H](OC(=O)C[C@@](C)(O)C(F)(F)F)C(=O)N1CCOCC1 ZINC000071916810 184904703 /nfs/dbraw/zinc/90/47/03/184904703.db2.gz AZOJXLOGQRJYGC-LDYMZIIASA-N 0 0 313.272 0.480 50 0 DCAARN COc1c(CNCC2(S(C)(=O)=O)CCC2)c(C)nn1C ZINC000331914950 533419441 /nfs/dbraw/zinc/41/94/41/533419441.db2.gz DDLHWYKMBFOGFN-UHFFFAOYSA-N 0 0 301.412 0.794 50 0 DCAARN O=C(COC(=O)c1ccco1)N1CCN(c2ncccn2)CC1 ZINC000007197499 134482350 /nfs/dbraw/zinc/48/23/50/134482350.db2.gz XOCNXTAFKQWCLO-UHFFFAOYSA-N 0 0 316.317 0.575 50 0 DCAARN CN1N=C(C(=O)N2CCN(c3ccccc3)CC2)CCC1=O ZINC000017358399 134530788 /nfs/dbraw/zinc/53/07/88/134530788.db2.gz JQJDMNDMCHECQM-UHFFFAOYSA-N 0 0 300.362 0.943 50 0 DCAARN C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)CN2)C[C@H](C)O1 ZINC000032633760 134681842 /nfs/dbraw/zinc/68/18/42/134681842.db2.gz GOCXRZUQAZGIFQ-TXEJJXNPSA-N 0 0 316.361 0.572 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N2CCOCC2)ccc1OC ZINC000008476063 395684695 /nfs/dbraw/zinc/68/46/95/395684695.db2.gz ZOIZDPVQFPEEDO-UHFFFAOYSA-N 0 0 314.363 0.076 50 0 DCAARN CCOc1ccc(-n2nc(CO)c(C(=O)NC[C@@H](C)O)n2)cc1 ZINC000008613628 395684797 /nfs/dbraw/zinc/68/47/97/395684797.db2.gz LZSTVCLCFQQQIE-SNVBAGLBSA-N 0 0 320.349 0.269 50 0 DCAARN C[C@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c1ccccn1 ZINC000008710857 395684874 /nfs/dbraw/zinc/68/48/74/395684874.db2.gz KTVMNISRKIFRDF-NSHDSACASA-N 0 0 324.340 0.962 50 0 DCAARN Cc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@@H](C)O)C3)cc1 ZINC000008755439 395684894 /nfs/dbraw/zinc/68/48/94/395684894.db2.gz FXSFMYTXKXGGCT-YGRLFVJLSA-N 0 0 301.346 0.826 50 0 DCAARN O=C1CC(=O)N2C(c3ccccc3)=CS[C@@]2(OCCO)N1 ZINC000009190208 395685108 /nfs/dbraw/zinc/68/51/08/395685108.db2.gz CLDMSDYCZIFLEN-AWEZNQCLSA-N 0 0 306.343 0.701 50 0 DCAARN O=C(Cn1nnc2ccccc2c1=O)NCCCn1ccnc1 ZINC000009059894 395685152 /nfs/dbraw/zinc/68/51/52/395685152.db2.gz RTIZIYPEXAPNOX-UHFFFAOYSA-N 0 0 312.333 0.195 50 0 DCAARN CCN1c2ccccc2[C@@H](NC(=O)C(=O)N2CCOCC2)C1=O ZINC000009184157 395685154 /nfs/dbraw/zinc/68/51/54/395685154.db2.gz KZYRRICJWQNFQN-CYBMUJFWSA-N 0 0 317.345 0.069 50 0 DCAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCOCC1 ZINC000009377482 395685326 /nfs/dbraw/zinc/68/53/26/395685326.db2.gz KTNVGLXDSZMDOQ-UHFFFAOYSA-N 0 0 309.366 0.490 50 0 DCAARN CC1(C)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O ZINC000009514811 395685474 /nfs/dbraw/zinc/68/54/74/395685474.db2.gz FZZKBMQLDXKOSM-UHFFFAOYSA-N 0 0 316.317 0.302 50 0 DCAARN O=C(NCCCN1CCCC1=O)C(=O)NCc1cccs1 ZINC000010326631 395686022 /nfs/dbraw/zinc/68/60/22/395686022.db2.gz JOKQMEQERYJMHG-UHFFFAOYSA-N 0 0 309.391 0.493 50 0 DCAARN CN(C)c1nc(N)nc(COC(=O)c2ccc3c(c2)OCO3)n1 ZINC000010389255 395686064 /nfs/dbraw/zinc/68/60/64/395686064.db2.gz SOUJPHUADBZXPH-UHFFFAOYSA-N 0 0 317.305 0.606 50 0 DCAARN O=C1NC(=O)C2(CCN(C(=S)NCc3ccccc3)CC2)N1 ZINC000010942186 395686255 /nfs/dbraw/zinc/68/62/55/395686255.db2.gz KUGGGMTWAKFQQK-UHFFFAOYSA-N 0 0 318.402 0.735 50 0 DCAARN Cc1cc(C)n(-c2ccc(SCCC(=O)NC(N)=O)nn2)n1 ZINC000011142225 395686342 /nfs/dbraw/zinc/68/63/42/395686342.db2.gz AWJKABSKYNHTDM-UHFFFAOYSA-N 0 0 320.378 0.956 50 0 DCAARN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccon1)c1cccn1C ZINC000011898909 395686951 /nfs/dbraw/zinc/68/69/51/395686951.db2.gz HDPIYONBQJMKIE-NSHDSACASA-N 0 0 305.338 0.371 50 0 DCAARN COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)NC1CC1 ZINC000012002624 395687030 /nfs/dbraw/zinc/68/70/30/395687030.db2.gz PHVCUUHCIWMHQW-UHFFFAOYSA-N 0 0 324.358 0.789 50 0 DCAARN COc1cccc(N2C[C@H](C(=O)Nc3nc[nH]n3)CC2=O)c1 ZINC000012390283 395687616 /nfs/dbraw/zinc/68/76/16/395687616.db2.gz PEPANJYWIRYGEU-SECBINFHSA-N 0 0 301.306 0.805 50 0 DCAARN O=C(NC[C@H]1COCCO1)c1cn(CCc2ccccc2)nn1 ZINC000012707522 395687941 /nfs/dbraw/zinc/68/79/41/395687941.db2.gz KOUPVJFQKXTYIM-AWEZNQCLSA-N 0 0 316.361 0.666 50 0 DCAARN Cn1nc(Sc2ccc3c(c2)OCCCO3)c(=O)n(C)c1=O ZINC000012850292 395688076 /nfs/dbraw/zinc/68/80/76/395688076.db2.gz JCJLUDYQFZMRPH-UHFFFAOYSA-N 0 0 321.358 0.792 50 0 DCAARN Cc1nc2n(n1)[C@@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2 ZINC000013552435 395688676 /nfs/dbraw/zinc/68/86/76/395688676.db2.gz HLZZOKWFSOXQMF-SECBINFHSA-N 0 0 315.289 0.837 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000014098120 395689114 /nfs/dbraw/zinc/68/91/14/395689114.db2.gz QTXKGCJNMKPGAS-NSHDSACASA-N 0 0 309.347 0.796 50 0 DCAARN CCn1c(CCC(N)=O)nn(CN2CCO[C@H](C)C2)c1=S ZINC000014138140 395689193 /nfs/dbraw/zinc/68/91/93/395689193.db2.gz YZXSWLULLKJXQF-SNVBAGLBSA-N 0 0 313.427 0.530 50 0 DCAARN COCCN1C(=O)C(=O)N(CN2CCc3ccccc3C2)C1=O ZINC000014142057 395689233 /nfs/dbraw/zinc/68/92/33/395689233.db2.gz JPVHMCPHJNTHPC-UHFFFAOYSA-N 0 0 317.345 0.439 50 0 DCAARN Cc1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c(C)o1 ZINC000014169178 395689340 /nfs/dbraw/zinc/68/93/40/395689340.db2.gz PMBPIYVUGAWOKZ-UHFFFAOYSA-N 0 0 305.378 0.933 50 0 DCAARN Cn1c2[nH]c(-c3nc4ccccc4nc3N)nc2c(=O)n(C)c1=O ZINC000019799090 395691179 /nfs/dbraw/zinc/69/11/79/395691179.db2.gz XYJIWFSDPGMZRV-UHFFFAOYSA-N 0 0 323.316 0.153 50 0 DCAARN Cn1c2nc3n(c2c(=O)[nH]c1=O)CCC(=O)[C@H]3Cc1ccccc1 ZINC000019799521 395691180 /nfs/dbraw/zinc/69/11/80/395691180.db2.gz PVDSRSWMNMZCDM-LLVKDONJSA-N 0 0 324.340 0.722 50 0 DCAARN O=CN1CCN(C(=O)CCC(=O)NCc2cccs2)CC1 ZINC000023223787 395692345 /nfs/dbraw/zinc/69/23/45/395692345.db2.gz SWTXWYRUZGBRQF-UHFFFAOYSA-N 0 0 309.391 0.445 50 0 DCAARN COC(=O)c1ccc([C@@H]2NC(=S)NC(C)=C2C(N)=O)cc1 ZINC000000071754 395679618 /nfs/dbraw/zinc/67/96/18/395679618.db2.gz UNHSNIZBHIHSMR-NSHDSACASA-N 0 0 305.359 0.751 50 0 DCAARN COc1ccc(-c2nnnn2[C@H]2CC(=O)[C@@H]3OC[C@H]2O3)cc1 ZINC000000108487 395679764 /nfs/dbraw/zinc/67/97/64/395679764.db2.gz ULEGEYRULHFLMG-ZKYQVNSYSA-N 0 0 302.290 0.604 50 0 DCAARN COC(=O)[C@H](NC=O)[C@](O)(c1ccc(OC)cc1)C(F)(F)F ZINC000000160723 395679927 /nfs/dbraw/zinc/67/99/27/395679927.db2.gz YMSFIWDVMABWCQ-CMPLNLGQSA-N 0 0 321.251 0.733 50 0 DCAARN COc1ccc(NC(=O)[C@H]2C=C([O-])NC(=[NH2+])S2)c(OC)c1 ZINC000000177077 395679999 /nfs/dbraw/zinc/67/99/99/395679999.db2.gz PSAFJBJHSSQTME-SNVBAGLBSA-N 0 0 309.347 0.989 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccn2)C1 ZINC000000220697 395680103 /nfs/dbraw/zinc/68/01/03/395680103.db2.gz BLOCOGRABFABBN-GFCCVEGCSA-N 0 0 311.407 0.760 50 0 DCAARN Cn1c(=O)cc(NC(=O)COc2ccc(Cl)cc2)n(C)c1=O ZINC000000483391 395680418 /nfs/dbraw/zinc/68/04/18/395680418.db2.gz ZETKELMUYIDBQY-UHFFFAOYSA-N 0 0 323.736 0.755 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Nc1ccccc1OC ZINC000000487603 395680427 /nfs/dbraw/zinc/68/04/27/395680427.db2.gz PAGSJLHXTOOENG-LLVKDONJSA-N 0 0 321.333 0.591 50 0 biogenic DCAARN CCN1c2ccc(S(=O)(=O)N3CCOCC3)cc2CC1=O ZINC000000555226 395680524 /nfs/dbraw/zinc/68/05/24/395680524.db2.gz FBAHBKPHJGAOAM-UHFFFAOYSA-N 0 0 310.375 0.617 50 0 DCAARN CCOC(=O)C1=C[C@@]2(CC(=O)N(c3ccccc3)C2=O)NN1 ZINC000000545701 395680596 /nfs/dbraw/zinc/68/05/96/395680596.db2.gz CYFIHODIFUEEKJ-HNNXBMFYSA-N 0 0 301.302 0.601 50 0 DCAARN COc1ccccc1N1CCN(c2snnc2C(N)=O)CC1 ZINC000001417120 395680762 /nfs/dbraw/zinc/68/07/62/395680762.db2.gz NPFPJMDIZRWMAX-UHFFFAOYSA-N 0 0 319.390 0.972 50 0 DCAARN Cc1ccccc1NC(=O)CSc1nnc2n(N)cnn12 ZINC000001438042 395680764 /nfs/dbraw/zinc/68/07/64/395680764.db2.gz WXECSMJDOJZYIT-UHFFFAOYSA-N 0 0 303.351 0.679 50 0 DCAARN O=S(=O)(NC1CC1)c1ccc(OCCn2cnnn2)cc1 ZINC000001423882 395680807 /nfs/dbraw/zinc/68/08/07/395680807.db2.gz MDNCMHPHDYJKPS-UHFFFAOYSA-N 0 0 309.351 0.193 50 0 DCAARN Cn1c2[nH]c(NCCc3ccc(F)cc3)nc2c(=O)n(C)c1=O ZINC000001409291 395680811 /nfs/dbraw/zinc/68/08/11/395680811.db2.gz XKQVLJFUSKLHCN-UHFFFAOYSA-N 0 0 317.324 0.754 50 0 DCAARN COC(=O)[C@H](C)NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002112973 395681247 /nfs/dbraw/zinc/68/12/47/395681247.db2.gz VFSGAXLCYJEFEL-TUAOUCFPSA-N 0 0 319.361 0.539 50 0 biogenic DCAARN Cn1c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2oc1=O ZINC000002206973 395681389 /nfs/dbraw/zinc/68/13/89/395681389.db2.gz GNEOWRKGOBESGC-VIFPVBQESA-N 0 0 312.347 0.589 50 0 DCAARN NC(=O)c1ccc(NC(=O)COC(=O)c2cnccn2)cc1 ZINC000002655450 395681790 /nfs/dbraw/zinc/68/17/90/395681790.db2.gz MDJUDZCKZDHIAD-UHFFFAOYSA-N 0 0 300.274 0.371 50 0 DCAARN Cc1noc(C)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000002872607 395681928 /nfs/dbraw/zinc/68/19/28/395681928.db2.gz NRGNRZQQWXFLLV-UHFFFAOYSA-N 0 0 323.374 0.911 50 0 DCAARN Cn1nnnc1SCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000003365204 395682420 /nfs/dbraw/zinc/68/24/20/395682420.db2.gz MEOZJUYCDRBJKF-UHFFFAOYSA-N 0 0 305.323 0.111 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)Oc1ccc(C(=O)OC)cc1OC ZINC000007033245 395683214 /nfs/dbraw/zinc/68/32/14/395683214.db2.gz YSEDLLNFHJRGBW-QMMMGPOBSA-N 0 0 310.306 0.705 50 0 DCAARN CC(=O)N1CCN(C(=O)c2cc3c(C)nn(C)c3nc2C)CC1 ZINC000029737350 395700002 /nfs/dbraw/zinc/70/00/02/395700002.db2.gz DGDXSABVEZAWGC-UHFFFAOYSA-N 0 0 315.377 0.889 50 0 DCAARN CS(=O)(=O)NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O ZINC000085467473 395700944 /nfs/dbraw/zinc/70/09/44/395700944.db2.gz QUSOKKQQFXLWAA-CYBMUJFWSA-N 0 0 314.382 0.908 50 0 DCAARN O=C(Cn1nnn(-c2ccccc2Cl)c1=O)N1CCCC1 ZINC000029950373 395700937 /nfs/dbraw/zinc/70/09/37/395700937.db2.gz KFNJCFZECUPSAW-UHFFFAOYSA-N 0 0 307.741 0.705 50 0 DCAARN C[C@H](O)CN1CCN(S(=O)(=O)Cc2cccc(F)c2)CC1 ZINC000085467240 395701058 /nfs/dbraw/zinc/70/10/58/395701058.db2.gz HKWHGKKQZZCWQH-LBPRGKRZSA-N 0 0 316.398 0.654 50 0 DCAARN COc1cccc(OC2CN(C(=O)CCn3cnnn3)C2)c1 ZINC000085532918 395701399 /nfs/dbraw/zinc/70/13/99/395701399.db2.gz ISQITGXZCIGJLW-UHFFFAOYSA-N 0 0 303.322 0.362 50 0 DCAARN CN(CC(=O)N1CCCC1)Cc1cc(=O)n2ccccc2n1 ZINC000031085222 395705035 /nfs/dbraw/zinc/70/50/35/395705035.db2.gz XJSTYMVIKKEEHC-UHFFFAOYSA-N 0 0 300.362 0.749 50 0 DCAARN Cn1c(=O)/c(=C/c2ccccc2)n(C)c(=O)/c1=C/c1ccccc1 ZINC000031159032 395705647 /nfs/dbraw/zinc/70/56/47/395705647.db2.gz WFIPKWCWCOEGSY-JTFWXBGUSA-N 0 0 318.376 0.742 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cn2cccn2)o1 ZINC000031402659 395706688 /nfs/dbraw/zinc/70/66/88/395706688.db2.gz CZHWSQGEERQHDN-VIFPVBQESA-N 0 0 312.351 0.203 50 0 DCAARN COCCNC(=O)[C@H]1CCCN(c2ccc3nnc(C)n3n2)C1 ZINC000032096053 395709526 /nfs/dbraw/zinc/70/95/26/395709526.db2.gz UOFJQQWDDXLPPF-LBPRGKRZSA-N 0 0 318.381 0.412 50 0 DCAARN COc1ccc(-n2ccc(CNC(=O)[C@@H]3CNC(=O)N3)n2)cc1 ZINC000089455538 395712214 /nfs/dbraw/zinc/71/22/14/395712214.db2.gz ZQXAWRIZTLTRMU-ZDUSSCGKSA-N 0 0 315.333 0.179 50 0 DCAARN Cc1cc(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)on1 ZINC000089606858 395713388 /nfs/dbraw/zinc/71/33/88/395713388.db2.gz AZTYYXTYEATDTQ-UHFFFAOYSA-N 0 0 309.347 0.702 50 0 DCAARN CC[C@@H](Oc1ccccc1)C(=O)NC1CCN(CC(N)=O)CC1 ZINC000032908371 395714234 /nfs/dbraw/zinc/71/42/34/395714234.db2.gz IBCFMLPTIIDXQC-OAHLLOKOSA-N 0 0 319.405 0.910 50 0 DCAARN CCNC(=O)NC(=O)CSc1nnc2cc(C)nc(C)n21 ZINC000032922582 395714652 /nfs/dbraw/zinc/71/46/52/395714652.db2.gz XVYBHLJIYKSIEH-UHFFFAOYSA-N 0 0 308.367 0.679 50 0 DCAARN Cc1nn(CN2CCC[C@H](NS(C)(=O)=O)C2)c(=S)n1C ZINC000032916169 395714694 /nfs/dbraw/zinc/71/46/94/395714694.db2.gz BPXVPBRLKBXMCJ-JTQLQIEISA-N 0 0 319.456 0.231 50 0 DCAARN O=S(=O)(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000089914145 395716423 /nfs/dbraw/zinc/71/64/23/395716423.db2.gz UJKBANJHWMJPCG-GOEBONIOSA-N 0 0 324.446 0.951 50 0 DCAARN C[C@@H](NC(=O)NCC(C)(C)N1CCOCC1)c1nncn1C ZINC000089913942 395716518 /nfs/dbraw/zinc/71/65/18/395716518.db2.gz LOPRPOAWVIZYCX-LLVKDONJSA-N 0 0 310.402 0.286 50 0 DCAARN Cc1cc(C)n(-c2nc(C)c(C(=O)N(CCO)CCO)s2)n1 ZINC000035476083 395720949 /nfs/dbraw/zinc/72/09/49/395720949.db2.gz KGFAOENKXBQVNT-UHFFFAOYSA-N 0 0 324.406 0.681 50 0 DCAARN COc1cccc(N2Cc3nc(=O)n(CC(C)=O)n3C2=O)c1 ZINC000036367349 395723384 /nfs/dbraw/zinc/72/33/84/395723384.db2.gz JVFJWLKOADWAME-UHFFFAOYSA-N 0 0 302.290 0.631 50 0 DCAARN O=C(COC(=O)Cn1c(=O)oc2ccccc21)NCC1CC1 ZINC000028104613 395695775 /nfs/dbraw/zinc/69/57/75/395695775.db2.gz QPDHUIJJDPKTMN-UHFFFAOYSA-N 0 0 304.302 0.664 50 0 DCAARN C[C@H](C(=O)N1CCN(C)CC1)n1cc(Br)cn1 ZINC000028224429 395695922 /nfs/dbraw/zinc/69/59/22/395695922.db2.gz FGXONVLMLCJPSK-SECBINFHSA-N 0 0 301.188 0.981 50 0 DCAARN CC(C)N1C(=O)N[C@]2(CCN(Cc3nc(C4CC4)no3)C2)C1=O ZINC000084597416 395698500 /nfs/dbraw/zinc/69/85/00/395698500.db2.gz AGZUDFHWBRUGQL-HNNXBMFYSA-N 0 0 319.365 0.852 50 0 DCAARN CS(=O)(=O)NCCNC(=O)c1ccc(-n2cccc2)cc1 ZINC000029681669 395699485 /nfs/dbraw/zinc/69/94/85/395699485.db2.gz LHVAQRQPFLWUET-UHFFFAOYSA-N 0 0 307.375 0.756 50 0 DCAARN CS(=O)(=O)NCCNC(=O)COc1cccc2ccccc21 ZINC000029677954 395699650 /nfs/dbraw/zinc/69/96/50/395699650.db2.gz ZMEAJEOXRNOSFU-UHFFFAOYSA-N 0 0 322.386 0.884 50 0 DCAARN CS(=O)(=O)NCCN1CCN(c2ccccc2F)CC1 ZINC000038590859 395732469 /nfs/dbraw/zinc/73/24/69/395732469.db2.gz UAHRCKYTSRSCTK-UHFFFAOYSA-N 0 0 301.387 0.497 50 0 DCAARN O=C(N1CCOCC1)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 ZINC000091724451 395726965 /nfs/dbraw/zinc/72/69/65/395726965.db2.gz YOUNBGQYDPMUAX-UONOGXRCSA-N 0 0 317.393 0.829 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)[C@@H](C)n3cccn3)CCO2)[nH]1 ZINC000095402168 395740606 /nfs/dbraw/zinc/74/06/06/395740606.db2.gz GHAGGBGHASTIDS-MNOVXSKESA-N 0 0 304.354 0.725 50 0 DCAARN O=C(NCCCn1cccn1)N1CCN(c2ncccn2)CC1 ZINC000040553520 395734323 /nfs/dbraw/zinc/73/43/23/395734323.db2.gz FLLXONHFTXXSPG-UHFFFAOYSA-N 0 0 315.381 0.595 50 0 DCAARN CN(C)c1cc(C(=O)N2CCN(c3ncccn3)CC2)ccn1 ZINC000040535345 395734338 /nfs/dbraw/zinc/73/43/38/395734338.db2.gz JRPBDEYFNTZBOO-UHFFFAOYSA-N 0 0 312.377 0.900 50 0 DCAARN C[C@]1(O)CCN(C(=O)CCc2cn3ccccc3n2)C[C@@H]1O ZINC000096180467 395746687 /nfs/dbraw/zinc/74/66/87/395746687.db2.gz COZALXJWGPJONN-BBRMVZONSA-N 0 0 303.362 0.611 50 0 DCAARN CCc1nc(C)c(CC(=O)N2CCc3[nH]cnc3C2)c(=O)[nH]1 ZINC000096163510 395746954 /nfs/dbraw/zinc/74/69/54/395746954.db2.gz WTJQEIQYVLXAJW-UHFFFAOYSA-N 0 0 301.350 0.491 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000095452807 395740918 /nfs/dbraw/zinc/74/09/18/395740918.db2.gz YBNVCADSSYOUMH-VXGBXAGGSA-N 0 0 312.395 0.833 50 0 DCAARN Cn1nc(CCC(=O)Nc2ccc(C(N)=O)cc2)ccc1=O ZINC000096123946 395745721 /nfs/dbraw/zinc/74/57/21/395745721.db2.gz RCQLXJNHNUZSBY-UHFFFAOYSA-N 0 0 300.318 0.451 50 0 DCAARN CNC(=O)c1noc(CNc2nc3c(s2)c(C)nn3C)n1 ZINC000096149423 395746309 /nfs/dbraw/zinc/74/63/09/395746309.db2.gz DWYWTVKIRLKSMJ-UHFFFAOYSA-N 0 0 307.339 0.693 50 0 DCAARN CC/C=C(\C)C(=O)N1CCN(CCN2C(=O)CCC2=O)CC1 ZINC000096294925 395752438 /nfs/dbraw/zinc/75/24/38/395752438.db2.gz WOFJZHCEETVVGF-YIXHJXPBSA-N 0 0 307.394 0.636 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000096402377 395752825 /nfs/dbraw/zinc/75/28/25/395752825.db2.gz PBFQSJRXLSSGHJ-UHFFFAOYSA-N 0 0 321.421 0.522 50 0 DCAARN O=C(NCCc1cc(F)ccc1F)N1CCS(=O)(=O)CC1 ZINC000096447017 395753255 /nfs/dbraw/zinc/75/32/55/395753255.db2.gz XIOBZQCDNJEBHV-UHFFFAOYSA-N 0 0 318.345 0.947 50 0 DCAARN CCc1nsc(N2CCCN(CCS(C)(=O)=O)CC2)n1 ZINC000096435855 395753352 /nfs/dbraw/zinc/75/33/52/395753352.db2.gz KLMLYBSVQGHOEL-UHFFFAOYSA-N 0 0 318.468 0.657 50 0 DCAARN CCS(=O)(=O)CCNC(=O)c1cc(-c2ccc(O)cc2)n[nH]1 ZINC000097213109 395756170 /nfs/dbraw/zinc/75/61/70/395756170.db2.gz SACJJTCYMGRBRJ-UHFFFAOYSA-N 0 0 323.374 0.947 50 0 DCAARN COC(=O)[C@@H](C)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000097474193 395758050 /nfs/dbraw/zinc/75/80/50/395758050.db2.gz QRTOCPMXRVJALH-GFCCVEGCSA-N 0 0 324.352 0.910 50 0 DCAARN COCCCNC(=O)COc1ccc(-c2nnn(C)n2)cc1 ZINC000096223941 395750255 /nfs/dbraw/zinc/75/02/55/395750255.db2.gz WSAOINYZALNHTH-UHFFFAOYSA-N 0 0 305.338 0.409 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)c1ccccc1OCC(N)=O ZINC000046888364 395782037 /nfs/dbraw/zinc/78/20/37/395782037.db2.gz JHGKTVSRFYFLKW-LBPRGKRZSA-N 0 0 321.377 0.001 50 0 DCAARN O=C(CCCc1cn[nH]c1)N1CCN(c2ncccn2)CC1 ZINC000097547620 395758421 /nfs/dbraw/zinc/75/84/21/395758421.db2.gz ZMIDDQJRLVRGFG-UHFFFAOYSA-N 0 0 300.366 0.871 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCO[C@H](c2ccccc2)C1 ZINC000097603275 395759123 /nfs/dbraw/zinc/75/91/23/395759123.db2.gz QAYVVOFXGGKFCE-RYUDHWBXSA-N 0 0 303.318 0.185 50 0 DCAARN CC(=O)N1CCC2(CCN(Cc3nc(C)no3)C[C@H]2CO)CC1 ZINC000097654025 395759982 /nfs/dbraw/zinc/75/99/82/395759982.db2.gz DHOYIPVZIKZFJC-AWEZNQCLSA-N 0 0 322.409 0.821 50 0 DCAARN COC(=O)c1nnn(CC(=O)c2ccccc2F)c1C(=O)OC ZINC000098211086 395762240 /nfs/dbraw/zinc/76/22/40/395762240.db2.gz IMICXPVSWAGWJC-UHFFFAOYSA-N 0 0 321.264 0.873 50 0 DCAARN NC(=O)C1=C(NC[C@@H]2CCCO2)c2ccccc2S1(=O)=O ZINC000101514407 395764564 /nfs/dbraw/zinc/76/45/64/395764564.db2.gz SXEQOAQJYQNSRF-VIFPVBQESA-N 0 0 308.359 0.396 50 0 DCAARN C[C@H]1CCCCN1CCNC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000045674824 395764950 /nfs/dbraw/zinc/76/49/50/395764950.db2.gz RUVZQKZRUFNIIH-STQMWFEESA-N 0 0 317.455 0.595 50 0 DCAARN COc1ccc(CNc2c(=O)c(=O)c2NCC[NH+](C)C)cc1 ZINC000101691023 395766486 /nfs/dbraw/zinc/76/64/86/395766486.db2.gz FVVYMRISRURZTP-UHFFFAOYSA-N 0 0 303.362 0.877 50 0 DCAARN O=c1c(=O)c(N2CCN(c3ccccn3)CC2)c1NCC1CC1 ZINC000101709140 395767065 /nfs/dbraw/zinc/76/70/65/395767065.db2.gz PSXZWXRNPYIKDH-UHFFFAOYSA-N 0 0 312.373 0.826 50 0 DCAARN Cn1nccc1NC(=O)Cn1nnc(-c2c(F)cccc2F)n1 ZINC000048130315 395808404 /nfs/dbraw/zinc/80/84/04/395808404.db2.gz HHQYWOAIUYASNV-UHFFFAOYSA-N 0 0 319.275 0.991 50 0 DCAARN O=C(CCCn1cncn1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000111663572 395811593 /nfs/dbraw/zinc/81/15/93/395811593.db2.gz WGXJWHRYPNAPBB-OAHLLOKOSA-N 0 0 321.425 0.772 50 0 DCAARN CC1CCN(c2ccc(CNC(=O)Cn3cnnn3)cn2)CC1 ZINC000048310191 395813066 /nfs/dbraw/zinc/81/30/66/395813066.db2.gz INOBQINMCAZZKY-UHFFFAOYSA-N 0 0 315.381 0.621 50 0 DCAARN C[C@H](NC(=O)CN1CCN(CCO)CC1)c1ccc(F)cc1 ZINC000048615842 395820426 /nfs/dbraw/zinc/82/04/26/395820426.db2.gz HWINIXBUJCNYFK-ZDUSSCGKSA-N 0 0 309.385 0.613 50 0 DCAARN C[C@@H](NC(=O)CN1CCN(CCO)CC1)c1ccc(F)cc1 ZINC000048615844 395820467 /nfs/dbraw/zinc/82/04/67/395820467.db2.gz HWINIXBUJCNYFK-CYBMUJFWSA-N 0 0 309.385 0.613 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc2c([nH]c1=O)CCC2 ZINC000214999879 395836608 /nfs/dbraw/zinc/83/66/08/395836608.db2.gz GZOXSOIHSKHNMB-VIFPVBQESA-N 0 0 310.375 0.028 50 0 DCAARN CCC(=O)NCC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 ZINC000051034847 395844510 /nfs/dbraw/zinc/84/45/10/395844510.db2.gz UUZGNGKCJRJGDF-UHFFFAOYSA-N 0 0 321.362 0.702 50 0 DCAARN O=C(NCCc1cnccn1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000219300327 395844903 /nfs/dbraw/zinc/84/49/03/395844903.db2.gz OKEMMLXRSCLBDR-OAHLLOKOSA-N 0 0 323.360 0.606 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1ccnnc1 ZINC000219689149 395846320 /nfs/dbraw/zinc/84/63/20/395846320.db2.gz XTHRHNONJKRBBF-HUUCEWRRSA-N 0 0 314.345 0.976 50 0 DCAARN CCn1ccc(C(=O)N[C@H]2C[C@H](c3nnc(CO)n3C)C2)n1 ZINC000219900741 395847027 /nfs/dbraw/zinc/84/70/27/395847027.db2.gz OYXFRHUKOLHUSF-AOOOYVTPSA-N 0 0 304.354 0.200 50 0 DCAARN CCc1cc(C(=O)N2CCCN(CC(=O)N(C)C)CC2)ccn1 ZINC000219941276 395847193 /nfs/dbraw/zinc/84/71/93/395847193.db2.gz NJAKHMMWQOTOOA-UHFFFAOYSA-N 0 0 318.421 0.880 50 0 DCAARN COC[C@@H]1[C@H](NC(=O)c2cnc3ccnn3c2C)[C@@H]2CCO[C@H]12 ZINC000219930405 395847319 /nfs/dbraw/zinc/84/73/19/395847319.db2.gz CXZPMBMTPSDAKH-BTQDYEIMSA-N 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IJGBSCRYGWDZDH-HOTGVXAUSA-N 0 0 320.389 0.671 50 0 DCAARN Cc1nnc(SCCNC(=O)CN2CCOC2=O)s1 ZINC000223914265 395857575 /nfs/dbraw/zinc/85/75/75/395857575.db2.gz NASIBXRCVMVIKD-UHFFFAOYSA-N 0 0 302.381 0.507 50 0 DCAARN C[C@]1(c2cccs2)NC(=O)N(CC(=O)N2CCOCC2)C1=O ZINC000053863116 395890416 /nfs/dbraw/zinc/89/04/16/395890416.db2.gz KTBDKPGEVLIDSB-CQSZACIVSA-N 0 0 323.374 0.374 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000053893297 395890836 /nfs/dbraw/zinc/89/08/36/395890836.db2.gz HOIBDMGSIYGWFT-SKDRFNHKSA-N 0 0 319.386 0.823 50 0 DCAARN O=C([C@H]1COCCO1)N1CCN(c2ncccc2Cl)CC1 ZINC000054100268 395893920 /nfs/dbraw/zinc/89/39/20/395893920.db2.gz JIXSTXFPJDNMIJ-GFCCVEGCSA-N 0 0 311.769 0.799 50 0 DCAARN CCNC(=O)C1CCN(C(=O)CNC(=O)c2ccco2)CC1 ZINC000054759405 395905252 /nfs/dbraw/zinc/90/52/52/395905252.db2.gz ZOWDVRYEZDMICI-UHFFFAOYSA-N 0 0 307.350 0.384 50 0 DCAARN CCOc1ccccc1NC(=O)CC(=O)NCCOCCO ZINC000055369933 395918406 /nfs/dbraw/zinc/91/84/06/395918406.db2.gz CTQCBRLOPGPNFB-UHFFFAOYSA-N 0 0 310.350 0.539 50 0 DCAARN Cc1cc(C(=O)NCCn2nnc3ccc(F)cc3c2=O)no1 ZINC000238884107 395923060 /nfs/dbraw/zinc/92/30/60/395923060.db2.gz PTCXDSGCNJPERE-UHFFFAOYSA-N 0 0 317.280 0.657 50 0 DCAARN O=C(Cc1cccc(F)c1)NCc1nnc2c(=O)[nH]ccn12 ZINC000245173972 395926527 /nfs/dbraw/zinc/92/65/27/395926527.db2.gz YERPSMOMDVRMND-UHFFFAOYSA-N 0 0 301.281 0.828 50 0 DCAARN OC[C@@H]1O[C@H](Nc2cccc3ccccc32)[C@H](O)[C@H](O)[C@H]1O ZINC000245377328 395927326 /nfs/dbraw/zinc/92/73/26/395927326.db2.gz JRKZPBBOEFJXRA-RBZJEDDUSA-N 0 0 305.330 0.052 50 0 DCAARN O=C(Cn1cccc1)NCCn1c(=O)[nH]c2ccsc2c1=O ZINC000225806021 395863480 /nfs/dbraw/zinc/86/34/80/395863480.db2.gz ONXVJYNORANLLI-UHFFFAOYSA-N 0 0 318.358 0.369 50 0 DCAARN Cc1nnc2c(N3CCN(C(=O)c4ccncc4)CC3)nccn12 ZINC000225799411 395863761 /nfs/dbraw/zinc/86/37/61/395863761.db2.gz MIYMQJMUDZGQHZ-UHFFFAOYSA-N 0 0 323.360 0.790 50 0 DCAARN O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)c1ccoc1 ZINC000225805920 395863765 /nfs/dbraw/zinc/86/37/65/395863765.db2.gz SRMFPBJLNDFSKY-UHFFFAOYSA-N 0 0 305.315 0.774 50 0 DCAARN CNC(=O)[C@@H]1CN(Cc2nnnn2C2CC2)c2ccccc2O1 ZINC000052799489 395870339 /nfs/dbraw/zinc/87/03/39/395870339.db2.gz FBXSUBASDKOMAQ-ZDUSSCGKSA-N 0 0 314.349 0.522 50 0 DCAARN CN(CC(N)=O)CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000052832292 395870895 /nfs/dbraw/zinc/87/08/95/395870895.db2.gz XVJBFOUJKACWOT-UHFFFAOYSA-N 0 0 307.398 0.819 50 0 DCAARN C[C@@H](C(=O)Nc1ncccn1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000229553115 395875593 /nfs/dbraw/zinc/87/55/93/395875593.db2.gz NOPCWEPEZSOWQO-QWHCGFSZSA-N 0 0 316.365 0.401 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCO[C@@H](Cn3cncn3)C2)on1 ZINC000229552655 395875778 /nfs/dbraw/zinc/87/57/78/395875778.db2.gz GOOIXLIKKCBGSR-VXGBXAGGSA-N 0 0 320.353 0.303 50 0 DCAARN O=C(CCNC(=O)c1ccc(F)cc1)NC[C@@H]1COCCO1 ZINC000053122267 395876090 /nfs/dbraw/zinc/87/60/90/395876090.db2.gz JNTWWJCCSMYKDQ-CYBMUJFWSA-N 0 0 310.325 0.477 50 0 DCAARN CC(=O)N1CCC[N@@H+]([C@H]2CN(Cc3nc(C)no3)C[C@@H]2C)CC1 ZINC000229829039 395876660 /nfs/dbraw/zinc/87/66/60/395876660.db2.gz VWIVQZBCUUJMHO-WFASDCNBSA-N 0 0 321.425 0.753 50 0 DCAARN O=C(Cc1ccc(-n2cnnn2)cc1)N1CCO[C@H]2CCC[C@@H]21 ZINC000053385130 395882052 /nfs/dbraw/zinc/88/20/52/395882052.db2.gz ITRUYJZCQLTRQY-GJZGRUSLSA-N 0 0 313.361 0.985 50 0 DCAARN Cc1cc(Cl)ccc1CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000136219283 395945358 /nfs/dbraw/zinc/94/53/58/395945358.db2.gz WJLQBJBJZVJEPQ-CYBMUJFWSA-N 0 0 307.781 0.791 50 0 DCAARN CCN1CCO[C@@H](CN2CCC[C@@H]2C(=O)NCC(F)(F)F)C1 ZINC000058342979 395953191 /nfs/dbraw/zinc/95/31/91/395953191.db2.gz QCCPKTMJYDMQIR-VXGBXAGGSA-N 0 0 323.359 0.850 50 0 DCAARN C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC(=O)NC1CC1 ZINC000066067237 396000815 /nfs/dbraw/zinc/00/08/15/396000815.db2.gz HZXCEUJQHKSVMN-SECBINFHSA-N 0 0 323.780 0.853 50 0 DCAARN COc1nccnc1NC1CCN(C(=O)c2ccnn2C)CC1 ZINC000065268510 395992038 /nfs/dbraw/zinc/99/20/38/395992038.db2.gz SFYFXIHAGWGHNX-UHFFFAOYSA-N 0 0 316.365 0.935 50 0 DCAARN COCc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(N)n1 ZINC000065310940 395992469 /nfs/dbraw/zinc/99/24/69/395992469.db2.gz QRBOROBIKREGLL-UHFFFAOYSA-N 0 0 320.324 0.427 50 0 DCAARN COCCCNC(=O)[C@@H]1CCCN(c2cnn(C)c(=O)c2)C1 ZINC000065313730 395993299 /nfs/dbraw/zinc/99/32/99/395993299.db2.gz RXFRIOQKIBLQST-GFCCVEGCSA-N 0 0 308.382 0.149 50 0 DCAARN O=C(CCN1CCCO1)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000252537374 396023223 /nfs/dbraw/zinc/02/32/23/396023223.db2.gz KZUPRKBCAOJNJB-VNQPRFMTSA-N 0 0 319.405 0.907 50 0 DCAARN COCCOCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC ZINC000067508555 396027665 /nfs/dbraw/zinc/02/76/65/396027665.db2.gz JYNATICYEFLVAB-CQSZACIVSA-N 0 0 307.346 0.776 50 0 DCAARN O=S(=O)([C@@H]1CCCN(Cc2c[nH]cn2)C1)N1CCOCC1 ZINC000253425491 396027696 /nfs/dbraw/zinc/02/76/96/396027696.db2.gz OEIJSDBOWFPJTN-CYBMUJFWSA-N 0 0 314.411 0.036 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@H]1COC ZINC000253415042 396027846 /nfs/dbraw/zinc/02/78/46/396027846.db2.gz ZKXGLTXDLUJQOH-CMPLNLGQSA-N 0 0 316.361 0.644 50 0 DCAARN CS(=O)(=O)N1C[C@H]2CCN(C(=O)c3ncccc3F)C[C@H]21 ZINC000253413703 396028241 /nfs/dbraw/zinc/02/82/41/396028241.db2.gz VMGHGJXVTDCWDU-MWLCHTKSSA-N 0 0 313.354 0.327 50 0 DCAARN Cn1cccc1C(=O)NCCn1c(=O)[nH]c2ncccc2c1=O ZINC000253537654 396030482 /nfs/dbraw/zinc/03/04/82/396030482.db2.gz AQZQKPIZRZZNGD-UHFFFAOYSA-N 0 0 313.317 0.266 50 0 DCAARN C[C@H](NC(=O)Cc1ccc(F)cc1)C1=CCCN(CC(N)=O)C1 ZINC000067673344 396031116 /nfs/dbraw/zinc/03/11/16/396031116.db2.gz KFCUAVLUTKZLKU-LBPRGKRZSA-N 0 0 319.380 0.990 50 0 DCAARN Cn1c(=O)c2nc(N=NCc3ccco3)cnc2n(C)c1=O ZINC000254415008 396031526 /nfs/dbraw/zinc/03/15/26/396031526.db2.gz LBAZPANUCVZANV-UHFFFAOYSA-N 0 0 300.278 0.066 50 0 DCAARN COC[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)C[C@H]1C(N)=O ZINC000257182596 396033997 /nfs/dbraw/zinc/03/39/97/396033997.db2.gz GRWXISNJWQWTOY-QWHCGFSZSA-N 0 0 301.346 0.988 50 0 DCAARN Cn1nc2n(c1=O)C[C@@H](C(=O)Nc1cnc3n1CCCC3)CC2 ZINC000067854774 396036090 /nfs/dbraw/zinc/03/60/90/396036090.db2.gz PTHUXWCORRKRRP-JTQLQIEISA-N 0 0 316.365 0.316 50 0 DCAARN O=C(NCc1[nH]nc2c1CCC2)c1ccc(Cn2cnnn2)cc1 ZINC000067872408 396036877 /nfs/dbraw/zinc/03/68/77/396036877.db2.gz HJCXBDGNLOKVGR-UHFFFAOYSA-N 0 0 323.360 0.863 50 0 DCAARN CC(C)(C)c1ncc2c(n1)CN(C(=O)CCn1cnnn1)C2 ZINC000067856226 396037338 /nfs/dbraw/zinc/03/73/38/396037338.db2.gz OXVYNVHSTSJSGJ-UHFFFAOYSA-N 0 0 301.354 0.693 50 0 DCAARN CCS(=O)(=O)N1CCC(NC(=O)CC2(OC)CCC2)CC1 ZINC000252480841 396019991 /nfs/dbraw/zinc/01/99/91/396019991.db2.gz CERZVCJWEWVMAA-UHFFFAOYSA-N 0 0 318.439 0.876 50 0 DCAARN Cn1ccsc1=NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000252452405 396020207 /nfs/dbraw/zinc/02/02/07/396020207.db2.gz GXPZYJLLENAMCM-GHMZBOCLSA-N 0 0 319.386 0.855 50 0 DCAARN CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)N(C)C(C)C ZINC000069705842 396087840 /nfs/dbraw/zinc/08/78/40/396087840.db2.gz FJWVZNHQUKYVOS-NSHDSACASA-N 0 0 323.484 0.813 50 0 DCAARN COCCN1CC[C@@H](N2CCN(C(=O)CC(C)C)CC2)C1=O ZINC000169757390 396091087 /nfs/dbraw/zinc/09/10/87/396091087.db2.gz MFQQZVNWCXRIQR-CQSZACIVSA-N 0 0 311.426 0.424 50 0 DCAARN CNC(=O)N1CCC([C@H]2CCN(C(=O)c3cn[nH]c3)C2)CC1 ZINC000169781682 396091853 /nfs/dbraw/zinc/09/18/53/396091853.db2.gz HJAKJFDKKMQDSL-LBPRGKRZSA-N 0 0 305.382 0.923 50 0 DCAARN CCCS(=O)(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000069847864 396091959 /nfs/dbraw/zinc/09/19/59/396091959.db2.gz SHMOMEPBGULWQG-UHFFFAOYSA-N 0 0 321.420 0.798 50 0 DCAARN CNC(=O)N1CCC([C@@H]2CCN(C(=O)c3cn[nH]c3)C2)CC1 ZINC000169781681 396091932 /nfs/dbraw/zinc/09/19/32/396091932.db2.gz HJAKJFDKKMQDSL-GFCCVEGCSA-N 0 0 305.382 0.923 50 0 DCAARN CCn1nccc1C(=O)NC[C@@H]1Cn2cccc2C(=O)N1C ZINC000169781097 396091954 /nfs/dbraw/zinc/09/19/54/396091954.db2.gz FJGZZQQGLQWQPS-LLVKDONJSA-N 0 0 301.350 0.589 50 0 DCAARN Cc1csc(N2CCN(CC(=O)N3CCNC3=O)C[C@@H]2C)n1 ZINC000069848710 396092090 /nfs/dbraw/zinc/09/20/90/396092090.db2.gz XMGBKMMJIZDHHX-NSHDSACASA-N 0 0 323.422 0.514 50 0 DCAARN O=C(COc1ccc(F)cc1)N[C@@H]1CCc2n[nH]c(=O)n2CC1 ZINC000169790488 396093361 /nfs/dbraw/zinc/09/33/61/396093361.db2.gz OWCFNGWYTQMDTP-LLVKDONJSA-N 0 0 320.324 0.611 50 0 DCAARN O=c1[nH]nc2n1CCN(Cc1ccc(Br)o1)CC2 ZINC000169790043 396093582 /nfs/dbraw/zinc/09/35/82/396093582.db2.gz GQHQJEZRIBWEDV-UHFFFAOYSA-N 0 0 313.155 0.985 50 0 DCAARN O=C1C(=O)N(CCn2cncn2)C(=O)N1CCc1cccs1 ZINC000069892965 396093737 /nfs/dbraw/zinc/09/37/37/396093737.db2.gz LCTGJPPGRRCNQJ-UHFFFAOYSA-N 0 0 319.346 0.373 50 0 DCAARN c1nc(CN2CCN(c3ccc4nncn4n3)CC2)cs1 ZINC000069878538 396093885 /nfs/dbraw/zinc/09/38/85/396093885.db2.gz UBLLWYNYRTWUHP-UHFFFAOYSA-N 0 0 301.379 0.903 50 0 DCAARN CNc1nc(NCCS(C)(=O)=O)ncc1Br ZINC000170086518 396094484 /nfs/dbraw/zinc/09/44/84/396094484.db2.gz BARIBEMIJJMAEE-UHFFFAOYSA-N 0 0 309.189 0.737 50 0 DCAARN Nc1nn(Cc2nc(-c3ccc4c(c3)OCO4)no2)c(=O)s1 ZINC000170610393 396095264 /nfs/dbraw/zinc/09/52/64/396095264.db2.gz IOTNNMUKYCILJR-UHFFFAOYSA-N 0 0 319.302 0.714 50 0 DCAARN O=C(Cn1nc(-n2cccn2)ccc1=O)Nc1nccs1 ZINC000070655875 396102544 /nfs/dbraw/zinc/10/25/44/396102544.db2.gz FNUXFCBYCCYDKT-UHFFFAOYSA-N 0 0 302.319 0.524 50 0 DCAARN O=C(NCCn1nc(-n2cccn2)ccc1=O)c1ccncc1 ZINC000070640946 396102735 /nfs/dbraw/zinc/10/27/35/396102735.db2.gz HYLSXXBXBUVJJK-UHFFFAOYSA-N 0 0 310.317 0.254 50 0 DCAARN Cc1cnc(NC(=O)C2CN(C(=O)c3cnccn3)C2)s1 ZINC000070809139 396105204 /nfs/dbraw/zinc/10/52/04/396105204.db2.gz HGZUITOSKMPIRU-UHFFFAOYSA-N 0 0 303.347 0.952 50 0 DCAARN O=C(Cn1nc(N2CCOCC2)ccc1=O)N1CCCCCC1 ZINC000071284303 396111841 /nfs/dbraw/zinc/11/18/41/396111841.db2.gz RBHPWLXCBPCKSM-UHFFFAOYSA-N 0 0 320.393 0.483 50 0 DCAARN C[C@H](O)C(=O)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 ZINC000071775747 396114094 /nfs/dbraw/zinc/11/40/94/396114094.db2.gz GQEXTVPPVFYWFX-VIFPVBQESA-N 0 0 300.318 0.097 50 0 DCAARN O=C([O-])[C@@H]1CN(C(=O)CCc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000071757263 396114355 /nfs/dbraw/zinc/11/43/55/396114355.db2.gz XEGXXMWBLOWYCM-NSHDSACASA-N 0 0 306.318 0.233 50 0 DCAARN Nc1nc2c(c(=O)[nH]1)CCN(C(=O)c1n[nH]c3ccccc31)C2 ZINC000071439419 396114569 /nfs/dbraw/zinc/11/45/69/396114569.db2.gz BSEYHDRHGXKARI-UHFFFAOYSA-N 0 0 310.317 0.427 50 0 DCAARN O=C(CN1CCCS1(=O)=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000071796489 396115271 /nfs/dbraw/zinc/11/52/71/396115271.db2.gz ZRULKVGJXPOTDW-GFCCVEGCSA-N 0 0 312.395 0.082 50 0 DCAARN O=C([C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccn2)CC1 ZINC000071794690 396115577 /nfs/dbraw/zinc/11/55/77/396115577.db2.gz RPMXQSVJVSWONZ-LBPRGKRZSA-N 0 0 309.391 0.165 50 0 DCAARN Cn1cc(CN2CCCN(C(=O)c3ccc[nH]c3=O)CC2)cn1 ZINC000071851710 396118457 /nfs/dbraw/zinc/11/84/57/396118457.db2.gz FMPAMVWDUNEVRE-UHFFFAOYSA-N 0 0 315.377 0.457 50 0 DCAARN c1cnnc(N2CCC[C@@H]2CNCc2nnnn2C2CC2)c1 ZINC000071859898 396119839 /nfs/dbraw/zinc/11/98/39/396119839.db2.gz MDOBTLIBQNQLLM-GFCCVEGCSA-N 0 0 300.370 0.557 50 0 DCAARN CN(c1ccc2nnnn2n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000071859461 396119853 /nfs/dbraw/zinc/11/98/53/396119853.db2.gz VHUKTXFVVKNGHJ-NSHDSACASA-N 0 0 311.353 0.415 50 0 DCAARN O=C(CN1CCCN(Cc2noc(C3CC3)n2)CC1)NC1CC1 ZINC000071871636 396120581 /nfs/dbraw/zinc/12/05/81/396120581.db2.gz CFZMXTNBLAKRQZ-UHFFFAOYSA-N 0 0 319.409 0.733 50 0 DCAARN COc1cccc(C(=O)NCCNC(=O)NC[C@@H]2CCCO2)c1 ZINC000072282570 396129903 /nfs/dbraw/zinc/12/99/03/396129903.db2.gz JPUOFHIDNPKPMD-AWEZNQCLSA-N 0 0 321.377 0.903 50 0 DCAARN Cc1nn(C(C)C)c(C)c1C[N@@H+]1C[C@H]2C(=O)NC[C@@]2(C(=O)[O-])C1 ZINC000072436757 396131697 /nfs/dbraw/zinc/13/16/97/396131697.db2.gz UWLWOXBYTCJGIP-XJKSGUPXSA-N 0 0 320.393 0.713 50 0 DCAARN Cc1cc(=O)[nH]c(SCc2nc3ccccc3c(=O)n2N)n1 ZINC000072332320 396131805 /nfs/dbraw/zinc/13/18/05/396131805.db2.gz ICLHRDOJECVFPJ-UHFFFAOYSA-N 0 0 315.358 0.794 50 0 DCAARN CNC(=O)c1ccc(NC(=O)Nc2cnn(CCO)c2)cc1 ZINC000069255466 396074292 /nfs/dbraw/zinc/07/42/92/396074292.db2.gz RLLPRYDZBXEZSD-UHFFFAOYSA-N 0 0 303.322 0.879 50 0 DCAARN C[C@H]1CCCCN1C(=O)CCNC(=O)c1ccc(=O)n(C)c1 ZINC000069348936 396075765 /nfs/dbraw/zinc/07/57/65/396075765.db2.gz HNLNADKELSSZTE-LBPRGKRZSA-N 0 0 305.378 0.906 50 0 DCAARN CCOCC(=O)N1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000069416783 396078084 /nfs/dbraw/zinc/07/80/84/396078084.db2.gz HTKWZWXEMJKFSS-UHFFFAOYSA-N 0 0 316.361 0.884 50 0 DCAARN Cc1cnn(C[C@H]2CN(c3ncnc4c3cnn4C)CCO2)c1 ZINC000069451471 396078904 /nfs/dbraw/zinc/07/89/04/396078904.db2.gz DIXCSVBAFMFCDE-GFCCVEGCSA-N 0 0 313.365 0.774 50 0 DCAARN CNC(=O)CCNC(=O)CCc1c(C)nc2cc(=O)[nH]n2c1C ZINC000069486933 396080492 /nfs/dbraw/zinc/08/04/92/396080492.db2.gz NQAYKFNWFPOVNX-UHFFFAOYSA-N 0 0 319.365 0.237 50 0 DCAARN C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2nn[nH]n2)C1=O ZINC000069535184 396082063 /nfs/dbraw/zinc/08/20/63/396082063.db2.gz XLGNYNLUIJROFN-QMMMGPOBSA-N 0 0 302.294 0.342 50 0 DCAARN Cc1cc(C)n(C2CN(CCN3C(=O)NC(C)(C)C3=O)C2)n1 ZINC000069616390 396084581 /nfs/dbraw/zinc/08/45/81/396084581.db2.gz QQUYRCFEAZAKDG-UHFFFAOYSA-N 0 0 305.382 0.687 50 0 DCAARN CN1CCN(C2CCN(CC(=O)Nc3nccs3)CC2)C1=O ZINC000075604109 396182477 /nfs/dbraw/zinc/18/24/77/396182477.db2.gz SDNARJVJPZEEHH-UHFFFAOYSA-N 0 0 323.422 0.913 50 0 DCAARN CCc1nc(CCNC(=O)c2cn(C)c(=O)[nH]c2=O)cs1 ZINC000263934423 396244400 /nfs/dbraw/zinc/24/44/00/396244400.db2.gz XAGQLEJTHBTTDP-UHFFFAOYSA-N 0 0 308.363 0.477 50 0 DCAARN Cn1cccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)c1=O ZINC000078712843 396252672 /nfs/dbraw/zinc/25/26/72/396252672.db2.gz UVCDVSSTCHEBBA-UHFFFAOYSA-N 0 0 307.331 0.285 50 0 DCAARN Cc1nc(CN(C)[C@@H]2CCN(Cc3nnnn3C3CC3)C2)no1 ZINC000078891256 396256199 /nfs/dbraw/zinc/25/61/99/396256199.db2.gz FJLWAEUPUXDTQA-GFCCVEGCSA-N 0 0 318.385 0.406 50 0 DCAARN C[C@H]1C(=O)NCCN1S(=O)(=O)N1CCC[C@@H]1c1ccco1 ZINC000078880827 396256465 /nfs/dbraw/zinc/25/64/65/396256465.db2.gz YNJFTEREKVHYTM-WDEREUQCSA-N 0 0 313.379 0.482 50 0 DCAARN CCc1nnc([C@H]2CN(Cc3nc(CCOC)no3)CCO2)[nH]1 ZINC000078892635 396256824 /nfs/dbraw/zinc/25/68/24/396256824.db2.gz ZAHWNONLWTVLTL-SNVBAGLBSA-N 0 0 322.369 0.513 50 0 DCAARN CC(C)NC(=O)CCN1CCO[C@H](CNc2cccnn2)C1 ZINC000078893391 396257356 /nfs/dbraw/zinc/25/73/56/396257356.db2.gz MLPCFAKANLZLIF-CYBMUJFWSA-N 0 0 307.398 0.504 50 0 DCAARN CCc1nc(CN2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)no1 ZINC000077421723 396221760 /nfs/dbraw/zinc/22/17/60/396221760.db2.gz MQJDZCBUUJLWEU-MRXNPFEDSA-N 0 0 322.409 0.829 50 0 DCAARN COc1cccc(CCC(=O)N2CC[C@@]3(CC(=O)NC3=O)C2)c1 ZINC000077437926 396221823 /nfs/dbraw/zinc/22/18/23/396221823.db2.gz IRRPHAUAXGPXFO-QGZVFWFLSA-N 0 0 316.357 0.893 50 0 DCAARN CC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 ZINC000077438044 396222193 /nfs/dbraw/zinc/22/21/93/396222193.db2.gz ZQNOCMOQIHCJMZ-UHFFFAOYSA-N 0 0 307.398 0.373 50 0 DCAARN CCOCCn1nc(C)cc1C(=O)N1CCOC[C@H](CO)C1 ZINC000077419733 396222460 /nfs/dbraw/zinc/22/24/60/396222460.db2.gz MJMFHEGTHKQPNZ-ZDUSSCGKSA-N 0 0 311.382 0.309 50 0 DCAARN COCc1noc(CCNC(=O)[C@H]2CC(=O)N(C(C)C)C2)n1 ZINC000077423649 396222463 /nfs/dbraw/zinc/22/24/63/396222463.db2.gz MSPTUOZSQYFDIG-JTQLQIEISA-N 0 0 310.354 0.132 50 0 DCAARN O=C(NCc1cccc(N2CCCS2(=O)=O)c1)[C@H]1CCOC1 ZINC000184004515 396280835 /nfs/dbraw/zinc/28/08/35/396280835.db2.gz ZIRPJROLMBZXRP-ZDUSSCGKSA-N 0 0 324.402 0.879 50 0 DCAARN Cc1cccnc1N1CCN(C(=O)CCn2cnnn2)CC1 ZINC000082092073 396310526 /nfs/dbraw/zinc/31/05/26/396310526.db2.gz YZZAJXHQTTYVPP-UHFFFAOYSA-N 0 0 301.354 0.115 50 0 DCAARN Cn1nc2c(cc1=O)CN(C(=O)C[C@H](O)CC(C)(C)C)CC2 ZINC000291905744 396519511 /nfs/dbraw/zinc/51/95/11/396519511.db2.gz KODDZLHDEZHLAS-LBPRGKRZSA-N 0 0 307.394 0.852 50 0 DCAARN CCOc1ccc(CC(=O)N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1 ZINC000584884513 396631758 /nfs/dbraw/zinc/63/17/58/396631758.db2.gz ANOVSKWKEXOXSO-OKILXGFUSA-N 0 0 316.357 0.701 50 0 DCAARN CCc1cc2c(ncn(CCS(=O)(=O)NC)c2=O)s1 ZINC000584886766 396632592 /nfs/dbraw/zinc/63/25/92/396632592.db2.gz NYESOQDFPHQSAW-UHFFFAOYSA-N 0 0 301.393 0.570 50 0 DCAARN Cc1cc(C(F)(F)F)nc(CNC(=O)C2(C(N)=O)CC2)n1 ZINC000584891473 396634312 /nfs/dbraw/zinc/63/43/12/396634312.db2.gz KEHQCLNEXPOPJP-UHFFFAOYSA-N 0 0 302.256 0.686 50 0 DCAARN CN1C(=O)[C@@H]2CCC[C@H]1CN(C(=O)Cn1ccc(=O)cc1)C2 ZINC000584891847 396634323 /nfs/dbraw/zinc/63/43/23/396634323.db2.gz CZLCOINDKOIJDE-OLZOCXBDSA-N 0 0 303.362 0.318 50 0 DCAARN Cc1nc(C)c(CC(=O)N2CCN3C(=O)OC[C@H]3C2)c(=O)[nH]1 ZINC000584895446 396635026 /nfs/dbraw/zinc/63/50/26/396635026.db2.gz KQQDBTNAOJUYDK-SNVBAGLBSA-N 0 0 306.322 0.005 50 0 DCAARN CCC1=NO[C@H](CNC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000584894235 396635029 /nfs/dbraw/zinc/63/50/29/396635029.db2.gz DPBZBHVCULYURR-ZDUSSCGKSA-N 0 0 318.381 0.863 50 0 DCAARN C[C@@H](NC(=O)CCn1cnnn1)c1nc(-c2ccncc2)no1 ZINC000584893748 396635030 /nfs/dbraw/zinc/63/50/30/396635030.db2.gz WPMFEQJTNYGBFO-SECBINFHSA-N 0 0 314.309 0.386 50 0 DCAARN CN1CC2(CCN(C(=O)CCc3cn[nH]c3)CC2)OCC1=O ZINC000584897051 396635764 /nfs/dbraw/zinc/63/57/64/396635764.db2.gz XLPBUKRPARHYJB-UHFFFAOYSA-N 0 0 306.366 0.192 50 0 DCAARN Cc1n[nH]c2c1CN(C(=O)c1cnc3ccccn3c1=O)CC2 ZINC000584900773 396636538 /nfs/dbraw/zinc/63/65/38/396636538.db2.gz VKBFFYYSHBYDDU-UHFFFAOYSA-N 0 0 309.329 0.925 50 0 DCAARN CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)Nc1nc(CC(N)=O)cs1 ZINC000585149769 396642080 /nfs/dbraw/zinc/64/20/80/396642080.db2.gz NGVQBMVHOHDBPF-WCBMZHEXSA-N 0 0 324.406 0.518 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3N2)C1 ZINC000316650003 396796460 /nfs/dbraw/zinc/79/64/60/396796460.db2.gz DGPLSVDPYXBBTK-GXTWGEPZSA-N 0 0 323.418 0.563 50 0 DCAARN CC(=O)OC(C)(C)C(=O)NCC1CCN(C(=O)N(C)C)CC1 ZINC000390829698 397303192 /nfs/dbraw/zinc/30/31/92/397303192.db2.gz GAEKGCICUDPGDM-UHFFFAOYSA-N 0 0 313.398 0.838 50 0 DCAARN Cc1cc(OC2CCN(C(=O)Cn3cncn3)CC2)nc(C)n1 ZINC000390827305 397303414 /nfs/dbraw/zinc/30/34/14/397303414.db2.gz WOYHCUWZLMYISU-UHFFFAOYSA-N 0 0 316.365 0.755 50 0 DCAARN O=C(NCCn1ccccc1=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000603111104 397571201 /nfs/dbraw/zinc/57/12/01/397571201.db2.gz LKWNLHFOKSLLCW-AWEZNQCLSA-N 0 0 317.389 0.613 50 0 DCAARN CCOC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCOC[C@@H]1C ZINC000058217345 285936214 /nfs/dbraw/zinc/93/62/14/285936214.db2.gz WGZNJDPEWORVDF-NWDGAFQWSA-N 0 0 320.411 0.370 50 0 DCAARN CCO[C@@H]1C[C@@H](NC(=O)C2(S(N)(=O)=O)CC2)C1(CC)CC ZINC000408522453 286253713 /nfs/dbraw/zinc/25/37/13/286253713.db2.gz JLEYWQAJHQFSCJ-GHMZBOCLSA-N 0 0 318.439 0.908 50 0 DCAARN COc1ccc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)cn1 ZINC000024604669 286334663 /nfs/dbraw/zinc/33/46/63/286334663.db2.gz PNNNFMSZVSCKOK-LLVKDONJSA-N 0 0 313.379 0.843 50 0 DCAARN O=C(Cc1ccoc1)NCCN1CCN(c2ncccn2)CC1 ZINC000120117636 158193664 /nfs/dbraw/zinc/19/36/64/158193664.db2.gz KEXOHDVARXOLJQ-UHFFFAOYSA-N 0 0 315.377 0.551 50 0 DCAARN NC(=O)C1(O)CCN(C(=O)c2cccc(OC(F)F)c2)CC1 ZINC000319607596 159009008 /nfs/dbraw/zinc/00/90/08/159009008.db2.gz ZABFXMXAZJNARA-UHFFFAOYSA-N 0 0 314.288 0.740 50 0 DCAARN O=C([C@@H]1COc2ccccc2O1)N1CCO[C@H](c2ncon2)C1 ZINC000329970580 159132600 /nfs/dbraw/zinc/13/26/00/159132600.db2.gz VBIMLICGRLOKDK-STQMWFEESA-N 0 0 317.301 0.810 50 0 DCAARN CN(Cc1nncn1C)C(=O)[C@@]1(O)CCc2ccccc2C1 ZINC000368189010 159380411 /nfs/dbraw/zinc/38/04/11/159380411.db2.gz ZOZGAPMNXLHWNW-MRXNPFEDSA-N 0 0 300.362 0.694 50 0 DCAARN O=C(COc1cccc[n+]1[O-])NC[C@@H]1Cc2ccccc2O1 ZINC000131062069 196136844 /nfs/dbraw/zinc/13/68/44/196136844.db2.gz HQEFZJHWJNRJDF-ZDUSSCGKSA-N 0 0 300.314 0.819 50 0 DCAARN C[C@H]1CN(c2ccnc3c2c(=O)n(C)c(=O)n3C)C[C@H](C)O1 ZINC000012227251 415150029 /nfs/dbraw/zinc/15/00/29/415150029.db2.gz ZNSXQVCVDGITFH-UWVGGRQHSA-N 0 0 304.350 0.246 50 0 DCAARN CC(C)[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cccs3)CCN2C1=O ZINC000014733599 415151564 /nfs/dbraw/zinc/15/15/64/415151564.db2.gz OAACWDUETZEIRX-PWSUYJOCSA-N 0 0 321.402 0.556 50 0 DCAARN COCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)CC(C)(C)C3 ZINC000019818774 415153579 /nfs/dbraw/zinc/15/35/79/415153579.db2.gz AIWWURRAFWIXMX-UHFFFAOYSA-N 0 0 317.345 0.886 50 0 DCAARN CS(=O)(=O)N1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000016438891 415154875 /nfs/dbraw/zinc/15/48/75/415154875.db2.gz YBFRJBBQQYVEHI-UHFFFAOYSA-N 0 0 320.418 0.950 50 0 DCAARN CCOC(=O)c1ccc(NC2CCN(CC(=O)NC)CC2)nc1 ZINC000025579236 415161479 /nfs/dbraw/zinc/16/14/79/415161479.db2.gz SYULOBBYIOYGRC-UHFFFAOYSA-N 0 0 320.393 0.881 50 0 DCAARN CC(C)N(C(=O)NC(=O)Nc1ncccn1)S(C)(=O)=O ZINC000003216934 415128648 /nfs/dbraw/zinc/12/86/48/415128648.db2.gz OHXRATAPBULNTO-UHFFFAOYSA-N 0 0 301.328 0.388 50 0 DCAARN CN(C)S(=O)(=O)c1cccc(C(=O)O[C@H]2CCOC2=O)c1 ZINC000007655362 415139402 /nfs/dbraw/zinc/13/94/02/415139402.db2.gz UYHAAMVUZMTHQC-NSHDSACASA-N 0 0 313.331 0.409 50 0 DCAARN C[C@@H](O)Cn1c2c(nc1N1CCC[C@@H](C)C1)n(C)c(=O)[nH]c2=O ZINC000007425770 415141415 /nfs/dbraw/zinc/14/14/15/415141415.db2.gz HCCSGHREVNYPGU-NXEZZACHSA-N 0 0 321.381 0.040 50 0 DCAARN COCCNC(=O)[C@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000009059774 415144989 /nfs/dbraw/zinc/14/49/89/415144989.db2.gz XRYNRMGTZUPMOJ-JTQLQIEISA-N 0 0 304.354 0.332 50 0 DCAARN Cc1oc(NC(=O)CN2CCC(O)CC2)c2c1c(C)n[nH]c2=O ZINC000025810302 415165186 /nfs/dbraw/zinc/16/51/86/415165186.db2.gz UNXQYDBPEWOFPA-UHFFFAOYSA-N 0 0 320.349 0.528 50 0 DCAARN O=C(CNc1cc(F)ccc1F)N[C@H]1CCS(=O)(=O)C1 ZINC000025894559 415166417 /nfs/dbraw/zinc/16/64/17/415166417.db2.gz NCJDHSOJBYPKSS-VIFPVBQESA-N 0 0 304.318 0.680 50 0 DCAARN CNC(=O)NC(=O)CCn1cnc2ccc(Cl)cc2c1=O ZINC000026046836 415166475 /nfs/dbraw/zinc/16/64/75/415166475.db2.gz RWTWVFRMDYEZKO-UHFFFAOYSA-N 0 0 308.725 0.896 50 0 DCAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCC1CC1 ZINC000027463009 415174885 /nfs/dbraw/zinc/17/48/85/415174885.db2.gz VDVQKPLYEZEQQN-KRWDZBQOSA-N 0 0 313.357 0.906 50 0 DCAARN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C[C@H](O)CN1CCOCC1)C2=O ZINC000036507764 415189271 /nfs/dbraw/zinc/18/92/71/415189271.db2.gz ZUVQPSTUHKYASO-IIYDPXPESA-N 0 0 324.421 0.491 50 0 DCAARN Cc1ccc(-c2noc(CCNS(=O)(=O)N(C)C)n2)cc1 ZINC000041156236 415196483 /nfs/dbraw/zinc/19/64/83/415196483.db2.gz WROLGULZRRVOMT-UHFFFAOYSA-N 0 0 310.379 0.984 50 0 DCAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2n[nH]c3c2CS(=O)(=O)CC3)C1 ZINC000041120893 415197026 /nfs/dbraw/zinc/19/70/26/415197026.db2.gz PKFGNPFVSXYWTI-NXEZZACHSA-N 0 0 311.407 0.999 50 0 DCAARN CNC(=O)c1nn(-c2ccccn2)c2c1CS(=O)(=O)CC2 ZINC000041070526 415198575 /nfs/dbraw/zinc/19/85/75/415198575.db2.gz ASKPCSHOJYCLKS-UHFFFAOYSA-N 0 0 306.347 0.098 50 0 DCAARN CC(C)[C@@H](CNC(=O)CN1CCSC1=O)N1CCOCC1 ZINC000041934463 415201736 /nfs/dbraw/zinc/20/17/36/415201736.db2.gz YHQWPCXZYROPCP-GFCCVEGCSA-N 0 0 315.439 0.628 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)NC[C@H](c1ccco1)N(C)C ZINC000044949308 415239745 /nfs/dbraw/zinc/23/97/45/415239745.db2.gz CBLDOLYUEWSAHL-ZIAGYGMSSA-N 0 0 324.425 0.902 50 0 DCAARN O=C(Nc1cccnc1N1CCCC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000044952047 415239818 /nfs/dbraw/zinc/23/98/18/415239818.db2.gz CBEOELBYQCJFEA-LLVKDONJSA-N 0 0 324.406 0.990 50 0 DCAARN CN(C)C(=O)N1CCN(C(=O)CCNc2ncccn2)CC1 ZINC000044977517 415240099 /nfs/dbraw/zinc/24/00/99/415240099.db2.gz XTCDWLOYBJRIQB-UHFFFAOYSA-N 0 0 306.370 0.104 50 0 DCAARN CC(C)[C@@H](CNC(=O)NCCc1cnn(C)c1)N1CCOCC1 ZINC000044967645 415240924 /nfs/dbraw/zinc/24/09/24/415240924.db2.gz NVBRQXDHUFQLNJ-OAHLLOKOSA-N 0 0 323.441 0.619 50 0 DCAARN O=S(=O)(Cc1nnnn1-c1ccccc1)C[C@@H]1CCCO1 ZINC000045359384 415246513 /nfs/dbraw/zinc/24/65/13/415246513.db2.gz XSMQPFDYXHULJP-LBPRGKRZSA-N 0 0 308.363 0.756 50 0 DCAARN CCc1ncnc(N2CCN(c3cnn(C)c3)C(=O)C2)c1F ZINC000270484126 415259654 /nfs/dbraw/zinc/25/96/54/415259654.db2.gz BQKZLFMYXZTSCR-UHFFFAOYSA-N 0 0 304.329 0.765 50 0 DCAARN O=C(NCCS(=O)(=O)c1ccccc1)c1ccc[nH]c1=O ZINC000047422770 415268982 /nfs/dbraw/zinc/26/89/82/415268982.db2.gz HRGZOXYRHAWILC-UHFFFAOYSA-N 0 0 306.343 0.579 50 0 DCAARN C[C@H]1CN(CCNC(=O)NCCNc2ccccn2)C[C@H](C)O1 ZINC000047500802 415269973 /nfs/dbraw/zinc/26/99/73/415269973.db2.gz ZSHFACDTXRQOKJ-KBPBESRZSA-N 0 0 321.425 0.902 50 0 DCAARN Cn1cc(C(=O)N2CCC(C(N)=O)CC2)c(C(F)(F)F)n1 ZINC000047302886 415271900 /nfs/dbraw/zinc/27/19/00/415271900.db2.gz AANBQHPOTPVLDS-UHFFFAOYSA-N 0 0 304.272 0.776 50 0 DCAARN C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccn1 ZINC000044369869 415221027 /nfs/dbraw/zinc/22/10/27/415221027.db2.gz MYDYYDOQFXKUKG-NEPJUHHUSA-N 0 0 311.407 0.930 50 0 DCAARN C[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccn1 ZINC000044369858 415221149 /nfs/dbraw/zinc/22/11/49/415221149.db2.gz MYDYYDOQFXKUKG-VXGBXAGGSA-N 0 0 311.407 0.930 50 0 DCAARN C[C@H](C(=O)NC[C@@H]1CCCO1)n1nnc2ccccc2c1=O ZINC000044450446 415221634 /nfs/dbraw/zinc/22/16/34/415221634.db2.gz REKHINOJSRCMOE-MNOVXSKESA-N 0 0 302.334 0.648 50 0 DCAARN Cc1cc([C@@H]2CCCN2C(=O)CC[C@@H]2NC(=O)NC2=O)no1 ZINC000044710409 415223943 /nfs/dbraw/zinc/22/39/43/415223943.db2.gz WJVUKYXUBQDVOY-ONGXEEELSA-N 0 0 306.322 0.635 50 0 DCAARN CC(=O)N[C@H](C(=O)NC[C@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000044722197 415225296 /nfs/dbraw/zinc/22/52/96/415225296.db2.gz AVZVDYMLVJZXSE-YPMHNXCESA-N 0 0 316.423 0.232 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)c1cnc2ccccc2n1 ZINC000044706588 415226604 /nfs/dbraw/zinc/22/66/04/415226604.db2.gz YQDOQKFHRROQDT-UHFFFAOYSA-N 0 0 308.363 0.299 50 0 DCAARN NC(=O)[C@H]1CCCCN1Cc1nnnn1Cc1ccccc1 ZINC000044892676 415229759 /nfs/dbraw/zinc/22/97/59/415229759.db2.gz YFWOOLXYOHBPRW-CYBMUJFWSA-N 0 0 300.366 0.561 50 0 DCAARN CNC(=O)CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000044909116 415231656 /nfs/dbraw/zinc/23/16/56/415231656.db2.gz SCJWJLSIHWMHPZ-UHFFFAOYSA-N 0 0 319.766 0.772 50 0 DCAARN C[C@@H](CNC(=O)N=c1[nH]c2ccccc2[nH]1)N1CCOCC1 ZINC000048289183 415287323 /nfs/dbraw/zinc/28/73/23/415287323.db2.gz DHKCVCXDRQOABC-NSHDSACASA-N 0 0 303.366 0.827 50 0 DCAARN O=C(CCNc1ncccn1)NCc1ccc(-n2cncn2)nc1 ZINC000048288630 415288128 /nfs/dbraw/zinc/28/81/28/415288128.db2.gz UVFSDYRVPUWODM-UHFFFAOYSA-N 0 0 324.348 0.571 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)N(C)Cc2cc(C)on2)CC1 ZINC000048326380 415289744 /nfs/dbraw/zinc/28/97/44/415289744.db2.gz JNYBTIGRACIOEA-UHFFFAOYSA-N 0 0 323.397 0.335 50 0 DCAARN Cc1cc(=O)n2nc(NCC(C)(C)N3CCOCC3)sc2n1 ZINC000048302110 415290959 /nfs/dbraw/zinc/29/09/59/415290959.db2.gz KDMIBZHRRDFCSA-UHFFFAOYSA-N 0 0 323.422 0.982 50 0 DCAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CNC(=O)Cn1cncn1 ZINC000048302395 415291806 /nfs/dbraw/zinc/29/18/06/415291806.db2.gz CMLGKWDGIXIVDS-NSHDSACASA-N 0 0 319.340 0.753 50 0 DCAARN Cc1nnn(CC(=O)Nc2ccnn2Cc2cccs2)n1 ZINC000048501636 415293787 /nfs/dbraw/zinc/29/37/87/415293787.db2.gz ZITNFGDYWOCINI-UHFFFAOYSA-N 0 0 303.351 0.927 50 0 DCAARN CC(C)N(CC(N)=O)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000048558999 415294463 /nfs/dbraw/zinc/29/44/63/415294463.db2.gz ZPXDQSBDJYZOJI-UHFFFAOYSA-N 0 0 303.384 0.226 50 0 DCAARN Cc1c(C(=O)N2CCOCC2)cnn1[C@@H]1CCS(=O)(=O)C1 ZINC000049658016 415309072 /nfs/dbraw/zinc/30/90/72/415309072.db2.gz GMEDKZKVGRLKIN-LLVKDONJSA-N 0 0 313.379 0.024 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)c3c[nH]cc(C)c3=O)CCO2)[nH]1 ZINC000332323840 415342509 /nfs/dbraw/zinc/34/25/09/415342509.db2.gz LTBDCMNDABNSHS-LLVKDONJSA-N 0 0 317.349 0.578 50 0 DCAARN Cc1cnc(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c(O)c1 ZINC000332436309 415399485 /nfs/dbraw/zinc/39/94/85/415399485.db2.gz GUMYHNHZZCSXTC-UHFFFAOYSA-N 0 0 315.333 0.318 50 0 DCAARN C[C@H](OCc1ccccc1)C(=O)N1CCCN(CC(N)=O)CC1 ZINC000071829305 415410281 /nfs/dbraw/zinc/41/02/81/415410281.db2.gz SSNSRUQECGZWAP-AWEZNQCLSA-N 0 0 319.405 0.611 50 0 DCAARN NC(=O)CN1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000071829245 415410742 /nfs/dbraw/zinc/41/07/42/415410742.db2.gz BFWDDZMVZGGZHA-CABCVRRESA-N 0 0 301.390 0.810 50 0 DCAARN CNC(=O)NC(=O)CN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000066878239 415371608 /nfs/dbraw/zinc/37/16/08/415371608.db2.gz WCYCKGLGCOBVRG-UHFFFAOYSA-N 0 0 324.425 0.603 50 0 DCAARN Cc1nc2c(c(=O)n1C)CCN(C(=O)c1n[nH]cc1Cl)CC2 ZINC000067649519 415377845 /nfs/dbraw/zinc/37/78/45/415377845.db2.gz IXLZIFMAEVULGT-UHFFFAOYSA-N 0 0 321.768 0.706 50 0 DCAARN CCn1ncnc1[C@@H](C)NC(=O)c1nnc2nc(C)cc(C)n21 ZINC000067741865 415385309 /nfs/dbraw/zinc/38/53/09/415385309.db2.gz WGPUUWMJUKYPHW-SNVBAGLBSA-N 0 0 314.353 0.844 50 0 DCAARN CC1=C(C(=O)N2CCC3(CNC(=O)O3)CC2)[C@@H](C)NC(=O)N1 ZINC000067947788 415390335 /nfs/dbraw/zinc/39/03/35/415390335.db2.gz ZOENFWQHMDRPGR-MRVPVSSYSA-N 0 0 308.338 0.063 50 0 DCAARN O=C1NCCC[C@H]1NS(=O)(=O)N1CCc2ccccc2C1 ZINC000084582007 415496487 /nfs/dbraw/zinc/49/64/87/415496487.db2.gz GLRUZFXPLPRRDY-CYBMUJFWSA-N 0 0 309.391 0.158 50 0 DCAARN CCOC(=O)c1cc(NC(=O)NCCN2CCOCC2)cn1C ZINC000075109124 415431768 /nfs/dbraw/zinc/43/17/68/415431768.db2.gz JNHYYSHTNFKDCC-UHFFFAOYSA-N 0 0 324.381 0.656 50 0 DCAARN COc1ccnc(N2CCC[C@@H]2C(=O)N2CCN(C)CC2)n1 ZINC000075123755 415435893 /nfs/dbraw/zinc/43/58/93/415435893.db2.gz QHXWCWCNDSIEFG-GFCCVEGCSA-N 0 0 305.382 0.228 50 0 DCAARN Cc1cc(C)c(CNC(=O)NC[C@H](C)N2CCOCC2)c(=O)[nH]1 ZINC000075111122 415437301 /nfs/dbraw/zinc/43/73/01/415437301.db2.gz TXKGHYKISGAYIC-ZDUSSCGKSA-N 0 0 322.409 0.512 50 0 DCAARN Cc1cc(NC(=O)[C@H]2CCCN(c3ccc(=O)n(C)n3)C2)no1 ZINC000075166426 415443375 /nfs/dbraw/zinc/44/33/75/415443375.db2.gz BHQLNXWYLLNQPG-NSHDSACASA-N 0 0 317.349 0.932 50 0 DCAARN O=C(NCc1ccccn1)c1nnn2c1c(=O)[nH]c1ccccc12 ZINC000075532225 415445804 /nfs/dbraw/zinc/44/58/04/415445804.db2.gz USRQDXYZCVQEOT-UHFFFAOYSA-N 0 0 320.312 0.896 50 0 DCAARN Cc1noc([C@H](C)OC(=O)[C@H]2CCCCN2S(C)(=O)=O)n1 ZINC000078985958 415471590 /nfs/dbraw/zinc/47/15/90/415471590.db2.gz JQTDKPIYZFHMPF-WCBMZHEXSA-N 0 0 317.367 0.796 50 0 DCAARN Cn1cc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)ccc1=O ZINC000079283346 415471664 /nfs/dbraw/zinc/47/16/64/415471664.db2.gz NFEFUCHBKRYEMN-CYBMUJFWSA-N 0 0 313.361 0.574 50 0 DCAARN Cc1cccc([C@@H](C(=O)NCCN2CCNC2=O)N(C)C)c1 ZINC000095385065 415556927 /nfs/dbraw/zinc/55/69/27/415556927.db2.gz DGBUESLFPBKUKN-AWEZNQCLSA-N 0 0 304.394 0.739 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)S(=O)(=O)[C@@H]2CCCOC2)on1 ZINC000096001610 415568901 /nfs/dbraw/zinc/56/89/01/415568901.db2.gz CTZGAWNTDUOZNW-VHSXEESVSA-N 0 0 302.352 0.904 50 0 DCAARN Cc1cc(NC(=O)CN2CCN(Cc3noc(C)n3)CC2)on1 ZINC000095959661 415568988 /nfs/dbraw/zinc/56/89/88/415568988.db2.gz AJUGXONAZMOXPJ-UHFFFAOYSA-N 0 0 320.353 0.431 50 0 DCAARN COC(=O)[C@H](O)CNc1ccc2nnc(C(F)(F)F)n2n1 ZINC000096011332 415572492 /nfs/dbraw/zinc/57/24/92/415572492.db2.gz WZYVAZVPDIHXON-RXMQYKEDSA-N 0 0 305.216 0.089 50 0 DCAARN CCCCn1nnnc1CN1C(=O)CS/C1=C/C(=O)OC ZINC000103189725 415609451 /nfs/dbraw/zinc/60/94/51/415609451.db2.gz GOKVEFZAKZNAEY-IZZDOVSWSA-N 0 0 311.367 0.563 50 0 DCAARN CCC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000333408211 415641147 /nfs/dbraw/zinc/64/11/47/415641147.db2.gz GSZWIVGEDHCKKD-UHFFFAOYSA-N 0 0 308.363 0.763 50 0 DCAARN O=c1n(Cc2nc3cc(F)ccc3c(=O)[nH]2)nc2ccccn21 ZINC000097085256 415580529 /nfs/dbraw/zinc/58/05/29/415580529.db2.gz SEUFRAVCGGMWRV-UHFFFAOYSA-N 0 0 311.276 0.920 50 0 DCAARN Cn1ncnc1CNC(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000097035152 415582609 /nfs/dbraw/zinc/58/26/09/415582609.db2.gz MJQIIIILHJIVRN-CQSZACIVSA-N 0 0 315.377 0.968 50 0 DCAARN O=C([O-])[C@@H]1CN(C(=O)c2cn[nH]n2)CC[N@@H+](C2CCCC2)C1 ZINC000097156034 415586032 /nfs/dbraw/zinc/58/60/32/415586032.db2.gz FUVQTEFBBWSPAW-JTQLQIEISA-N 0 0 307.354 0.206 50 0 DCAARN CCOC(=O)Cn1c(=O)cc(C)n(-c2ccc(OC)cc2)c1=O ZINC000098063757 415589827 /nfs/dbraw/zinc/58/98/27/415589827.db2.gz RDDLRJRQOXFVMM-UHFFFAOYSA-N 0 0 318.329 0.879 50 0 DCAARN CO[C@@H]1C[C@@H](OC(C)=O)[C@H]([C@H](COC(C)=O)OC(C)=O)O1 ZINC000101136511 415592909 /nfs/dbraw/zinc/59/29/09/415592909.db2.gz UMNNUAUVUHIZGG-MROQNXINSA-N 0 0 304.295 0.174 50 0 DCAARN O=C1[C@@H]([N@@H+]2CCCC[C@@H]2CN2CCOCC2)CCN1C1CC1 ZINC000107509791 415667043 /nfs/dbraw/zinc/66/70/43/415667043.db2.gz DWJQRYZIJWZERD-CVEARBPZSA-N 0 0 307.438 0.936 50 0 DCAARN C[C@H]1CN(C)CCN1C(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000107581184 415669745 /nfs/dbraw/zinc/66/97/45/415669745.db2.gz NOAPFZALBRECLN-ZFWWWQNUSA-N 0 0 314.393 0.619 50 0 DCAARN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)S(=O)(=O)C(C)C ZINC000108150082 415676853 /nfs/dbraw/zinc/67/68/53/415676853.db2.gz NQUWEUSGSNDKKI-AXFHLTTASA-N 0 0 304.412 0.229 50 0 DCAARN CN1C(=S)N=NC1CNC(=O)c1ccc([S@](C)=O)cc1 ZINC000109054594 415684041 /nfs/dbraw/zinc/68/40/41/415684041.db2.gz BXBADMRWYNECBD-HXUWFJFHSA-N 0 0 310.404 0.771 50 0 DCAARN CC(C)c1ncc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)s1 ZINC000134002256 415953937 /nfs/dbraw/zinc/95/39/37/415953937.db2.gz ZCNHIGIAXIQYJG-UHFFFAOYSA-N 0 0 308.363 0.916 50 0 DCAARN Cc1nc2cc(C(=O)N3CC[C@@H](CS(N)(=O)=O)C3)ccc2[nH]1 ZINC000299772311 416065296 /nfs/dbraw/zinc/06/52/96/416065296.db2.gz XYUNEXMHRJANPY-SNVBAGLBSA-N 0 0 322.390 0.622 50 0 DCAARN CCc1nc(N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)ncc1C ZINC000299767267 416066400 /nfs/dbraw/zinc/06/64/00/416066400.db2.gz QGXYXVJVJVBLMN-ZIAGYGMSSA-N 0 0 321.425 0.283 50 0 DCAARN CO[C@]12CCN(C(=O)c3cnc(C)[nH]c3=O)[C@H]1C[C@H](O)CC2 ZINC000299791075 416069259 /nfs/dbraw/zinc/06/92/59/416069259.db2.gz BXYTVQXSCOBUNQ-IFUGULHKSA-N 0 0 307.350 0.635 50 0 DCAARN COCCN1C[C@@H](CN(C)Cc2nc(C3CC3)no2)CC1=O ZINC000299787099 416069686 /nfs/dbraw/zinc/06/96/86/416069686.db2.gz VGLRUQQPULNLPL-LLVKDONJSA-N 0 0 308.382 0.874 50 0 DCAARN Cc1n[nH]c(CCC(=O)N2CC[C@H](CS(N)(=O)=O)C2)c1C ZINC000299787331 416070002 /nfs/dbraw/zinc/07/00/02/416070002.db2.gz UOVRJIGHQPQWRN-NSHDSACASA-N 0 0 314.411 0.096 50 0 DCAARN O=C(CN1CCOCC1)N1CC(OCc2cccc(F)c2)C1 ZINC000299798388 416070530 /nfs/dbraw/zinc/07/05/30/416070530.db2.gz RMTYSUNXVDKAII-UHFFFAOYSA-N 0 0 308.353 0.885 50 0 DCAARN CC(=O)c1c(C)nn(CCC(=O)NCCN2CCNC2=O)c1C ZINC000299800084 416070810 /nfs/dbraw/zinc/07/08/10/416070810.db2.gz ZVTGNXBNNQPKJK-UHFFFAOYSA-N 0 0 321.381 0.234 50 0 DCAARN CS(=O)(=O)CC(=O)NCCN1CCc2sccc2C1 ZINC000170591617 416027869 /nfs/dbraw/zinc/02/78/69/416027869.db2.gz JPDUCJGKAOISOV-UHFFFAOYSA-N 0 0 302.421 0.267 50 0 DCAARN COCCn1ccc2c1cccc2OCC(=O)Nc1nn[nH]n1 ZINC000263588250 416338437 /nfs/dbraw/zinc/33/84/37/416338437.db2.gz QUXXSVRZAYQRDU-UHFFFAOYSA-N 0 0 316.321 0.818 50 0 DCAARN O=C(CCc1ccc(F)c(F)c1)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000215489236 416327013 /nfs/dbraw/zinc/32/70/13/416327013.db2.gz CBXZATAENHBBDW-VXGBXAGGSA-N 0 0 319.329 0.172 50 0 DCAARN CCCn1ncc(CN2CCN(C(=O)c3nc[nH]n3)CC2)c1C ZINC000215176623 416327061 /nfs/dbraw/zinc/32/70/61/416327061.db2.gz VSWMLGSGHJXYHX-UHFFFAOYSA-N 0 0 317.397 0.678 50 0 DCAARN Cc1cc(=O)[nH]c(NCCNC(=O)c2n[nH]c3c2CCC3)n1 ZINC000215339497 416327106 /nfs/dbraw/zinc/32/71/06/416327106.db2.gz HUCCHIVJFAPIEH-UHFFFAOYSA-N 0 0 302.338 0.132 50 0 DCAARN CCN(Cc1noc(C)n1)C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000215627057 416327260 /nfs/dbraw/zinc/32/72/60/416327260.db2.gz CUQKNSMOXJATER-UHFFFAOYSA-N 0 0 324.362 0.688 50 0 DCAARN CN(Cc1ccc(Sc2nncn2C)o1)[C@H]1COC[C@@H]1O ZINC000215639160 416327316 /nfs/dbraw/zinc/32/73/16/416327316.db2.gz QLFCXQBGNYRCPS-QWRGUYRKSA-N 0 0 310.379 0.751 50 0 DCAARN COC[C@@H]1CCCCN1C(=O)c1cccc(S(N)(=O)=O)c1 ZINC000216183201 416327372 /nfs/dbraw/zinc/32/73/72/416327372.db2.gz WOEVVRHUJCVPQX-LBPRGKRZSA-N 0 0 312.391 0.975 50 0 DCAARN COCCn1ccnc1CN1CCC[C@H]1C(=O)N1CCOCC1 ZINC000216228549 416327490 /nfs/dbraw/zinc/32/74/90/416327490.db2.gz WWHUSIJQJJBKTA-AWEZNQCLSA-N 0 0 322.409 0.353 50 0 DCAARN CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000241338590 416329950 /nfs/dbraw/zinc/32/99/50/416329950.db2.gz MCBQWYIKWLTNQD-FOGDFJRCSA-N 0 0 313.398 0.883 50 0 DCAARN Cn1cc(CCC(=O)NC[C@H]2CCCN2c2cccnn2)cn1 ZINC000241287443 416330085 /nfs/dbraw/zinc/33/00/85/416330085.db2.gz LLGWRYJJLJTQJL-CQSZACIVSA-N 0 0 314.393 0.928 50 0 DCAARN O=C(NC1CC1)[C@H]1CC=CC[C@@H]1C(=O)N1CCC2(C1)OCCO2 ZINC000239667972 416330144 /nfs/dbraw/zinc/33/01/44/416330144.db2.gz BSKXKTUGDNHFPX-KBPBESRZSA-N 0 0 320.389 0.823 50 0 DCAARN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCOC[C@]12CCOC2 ZINC000242339287 416330424 /nfs/dbraw/zinc/33/04/24/416330424.db2.gz ZGOOTPBVSIEELX-DTWKUNHWSA-N 0 0 303.302 0.758 50 0 DCAARN CC[C@@](O)(C(=O)NC[C@@H](O)C(=O)OC)c1cccc(Cl)c1 ZINC000241774193 416330552 /nfs/dbraw/zinc/33/05/52/416330552.db2.gz RNUUDZBPUYPPQP-RISCZKNCSA-N 0 0 315.753 0.588 50 0 DCAARN O=C(CN1CCc2ccccc2C1)N1CCN2C(=O)OC[C@H]2C1 ZINC000244764012 416330732 /nfs/dbraw/zinc/33/07/32/416330732.db2.gz OZRVYKIJDGELBZ-OAHLLOKOSA-N 0 0 315.373 0.708 50 0 DCAARN COCCn1cnnc1CCNC(=O)c1snnc1C(C)C ZINC000244678908 416330862 /nfs/dbraw/zinc/33/08/62/416330862.db2.gz IMCGGAQXJWMYCG-UHFFFAOYSA-N 0 0 324.410 0.872 50 0 DCAARN CCCN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)OCC ZINC000436332311 416554413 /nfs/dbraw/zinc/55/44/13/416554413.db2.gz HTPAXLRBFJQFFY-QWRGUYRKSA-N 0 0 305.396 0.611 50 0 DCAARN CCOC(=O)C[C@H](NC(=O)[C@@]1(C)CCC(=O)NC1)C(F)(F)F ZINC000585113612 416517605 /nfs/dbraw/zinc/51/76/05/416517605.db2.gz QVSUXUHJZDJUKA-UFBFGSQYSA-N 0 0 324.299 0.903 50 0 DCAARN Nc1nc([C@H]2CCN(c3ccc4nccnc4n3)C2)cc(=O)[nH]1 ZINC000585117939 416518948 /nfs/dbraw/zinc/51/89/48/416518948.db2.gz DVNRDZIXMDRBNB-VIFPVBQESA-N 0 0 309.333 1.097 50 0 DCAARN CCNc1nnc(S(=O)(=O)CCc2cnn(CC)c2)s1 ZINC000585136758 416520078 /nfs/dbraw/zinc/52/00/78/416520078.db2.gz RIMWFSSGKJDECB-UHFFFAOYSA-N 0 0 315.424 1.203 50 0 DCAARN CN(C)c1nc(N)nc(CNC(=O)c2cccc3cccnc32)n1 ZINC000426412252 416766006 /nfs/dbraw/zinc/76/60/06/416766006.db2.gz KEMZYGNDAXOMOO-UHFFFAOYSA-N 0 0 323.360 0.998 50 0 DCAARN CN(CCNc1cc([C@H]2CCOC2)ncn1)Cc1ncc[nH]1 ZINC000426405863 416767922 /nfs/dbraw/zinc/76/79/22/416767922.db2.gz YSROESKBDXVFOX-LBPRGKRZSA-N 0 0 302.382 1.248 50 0 DCAARN Nc1nc(NCCNc2cccnc2)cc([C@H]2CCOC2)n1 ZINC000426571598 416773288 /nfs/dbraw/zinc/77/32/88/416773288.db2.gz KYASYFFAMLJEAV-NSHDSACASA-N 0 0 300.366 0.904 50 0 DCAARN OCCNc1nc([C@@H]2CCOC2)cc(N2CCSCC2)n1 ZINC000426711310 416780391 /nfs/dbraw/zinc/78/03/91/416780391.db2.gz LKMGVFDEWWTNCC-LLVKDONJSA-N 0 0 310.423 0.938 50 0 DCAARN CCOC(=O)c1cnc(NCc2cnc(C)nc2N)nc1C ZINC000521398552 417004886 /nfs/dbraw/zinc/00/48/86/417004886.db2.gz NQKAWABLXJTEBZ-UHFFFAOYSA-N 0 0 302.338 0.676 50 0 DCAARN COCCN1C[C@H](C(=O)NCc2ccc3c(c2)CCO3)CC1=O ZINC000522255546 417055847 /nfs/dbraw/zinc/05/58/47/417055847.db2.gz DIDXRTBTJGLDIG-CQSZACIVSA-N 0 0 318.373 0.733 50 0 DCAARN COCCc1noc(C2CN(S(=O)(=O)c3cccnc3)C2)n1 ZINC000575551484 417539761 /nfs/dbraw/zinc/53/97/61/417539761.db2.gz YKQJTZKGVAESMI-UHFFFAOYSA-N 0 0 324.362 0.442 50 0 DCAARN Cn1cc(C(=O)N2CCC[C@H](Oc3ncc(Cl)cn3)C2)nn1 ZINC000575604699 417540233 /nfs/dbraw/zinc/54/02/33/417540233.db2.gz DDRSXGCMONWBNN-JTQLQIEISA-N 0 0 322.756 0.942 50 0 DCAARN Cn1cccc(C(=O)NC[C@H](OCCO)c2ccsc2)c1=O ZINC000575621761 417541400 /nfs/dbraw/zinc/54/14/00/417541400.db2.gz SZAPEFSSEYVXKE-ZDUSSCGKSA-N 0 0 322.386 0.927 50 0 DCAARN COC1CCN(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000657011221 418402715 /nfs/dbraw/zinc/40/27/15/418402715.db2.gz LIVRCDWZNJDWGJ-ZDUSSCGKSA-N 0 0 319.471 0.664 50 0 DCAARN Cc1cccc2nnc(N3CCN(C(=O)[C@H]4CCCO4)CC3)n21 ZINC000065313275 292623790 /nfs/dbraw/zinc/62/37/90/292623790.db2.gz XOUZASDZJPNAJI-CYBMUJFWSA-N 0 0 315.377 0.865 50 0 DCAARN Cc1cccc(OCC(=O)N2CC[NH+](CC(=O)[O-])CC2)c1C ZINC000299744901 229384497 /nfs/dbraw/zinc/38/44/97/229384497.db2.gz VILXWZKRRDXXMW-UHFFFAOYSA-N 0 0 306.362 0.911 50 0 DCAARN O=C(Cn1cnnn1)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000076066777 262543906 /nfs/dbraw/zinc/54/39/06/262543906.db2.gz SIYFURKCQBSHFZ-UHFFFAOYSA-N 0 0 315.312 0.357 50 0 DCAARN CS(=O)(=O)CCC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000488583102 272046480 /nfs/dbraw/zinc/04/64/80/272046480.db2.gz OOAYZEJICNIFRJ-LLVKDONJSA-N 0 0 313.375 0.767 50 0 DCAARN C/C=C/Cn1c(=O)c2c(nc3n2[C@H](C)C(C)N=N3)n(C)c1=O ZINC000010337026 275403862 /nfs/dbraw/zinc/40/38/62/275403862.db2.gz JVIRTACXWPQCCW-VUHVRTRXSA-N 0 0 302.338 0.835 50 0 DCAARN CC(=O)[C@@H](C)n1c(C)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000004940943 275499118 /nfs/dbraw/zinc/49/91/18/275499118.db2.gz UEULWEPWAOLFAY-MRVPVSSYSA-N 0 0 303.322 0.145 50 0 DCAARN CC(C)=CCn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000334570 275557507 /nfs/dbraw/zinc/55/75/07/275557507.db2.gz XUCDCVIAIYXFAS-UHFFFAOYSA-N 0 0 319.365 0.226 50 0 DCAARN CC(=O)N[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@H]1[C@@H]1COC(C)(C)O1 ZINC000005495496 278182507 /nfs/dbraw/zinc/18/25/07/278182507.db2.gz ARBXTIYDTCGPSN-RNWYCLNJSA-N 0 0 301.339 0.519 50 0 DCAARN Cc1nc(C(=O)N2CCOCC2)cc(N2C[C@@H](C)O[C@H](C)C2)n1 ZINC000096182764 279066413 /nfs/dbraw/zinc/06/64/13/279066413.db2.gz NKZVLIHDSSKSQU-VXGBXAGGSA-N 0 0 320.393 0.871 50 0 DCAARN O=C1C[C@@]2(CCN(c3nccc(C(F)(F)F)n3)C2)C(=O)N1 ZINC000082097969 280270668 /nfs/dbraw/zinc/27/06/68/280270668.db2.gz SLPNRTNDTSHNEQ-LLVKDONJSA-N 0 0 300.240 0.738 50 0 DCAARN O=c1c2cnc(N3CCCC3)[nH]c-2cn1[C@H]1CCS(=O)(=O)C1 ZINC000046088876 280332733 /nfs/dbraw/zinc/33/27/33/280332733.db2.gz GUSIQLLGQASRHS-JTQLQIEISA-N 0 0 322.390 0.220 50 0 DCAARN Cc1ccc([C@H]2CC(=C3C(=O)N(C)C(=O)N(C)C3=O)NN2)s1 ZINC000009419604 280995115 /nfs/dbraw/zinc/99/51/15/280995115.db2.gz BOWFUPNDSHDJJV-MRVPVSSYSA-N 0 0 320.374 0.900 50 0 DCAARN CC1(C)OC(=O)N(CCN2C(=O)OC(C)(C)[C@]2(C)O)[C@@]1(C)O ZINC000000049489 281399654 /nfs/dbraw/zinc/39/96/54/281399654.db2.gz MVHAFMJBIFNSGD-KBPBESRZSA-N 0 0 316.354 0.865 50 0 DCAARN CN(CC[NH+](C)C)[C@@H]1CCCN(C(=O)CCc2cc(=O)[n-]o2)C1 ZINC000072121597 289133849 /nfs/dbraw/zinc/13/38/49/289133849.db2.gz MZVSSWUTCFPGOX-CYBMUJFWSA-N 0 0 324.425 0.797 50 0 DCAARN CN1CCN(C(=O)CN(C2CCCCC2)S(C)(=O)=O)CC1 ZINC000020026914 290011566 /nfs/dbraw/zinc/01/15/66/290011566.db2.gz FGZPIMOXRVQQOJ-UHFFFAOYSA-N 0 0 317.455 0.355 50 0 DCAARN COC[C@H](C)S(=O)(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000069699301 293059404 /nfs/dbraw/zinc/05/94/04/293059404.db2.gz BBQOAYKTLMUJTJ-QWHCGFSZSA-N 0 0 308.444 0.298 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)NC(=O)N[C@H]2c1ccccc1Cl ZINC000020724644 294137086 /nfs/dbraw/zinc/13/70/86/294137086.db2.gz LSGHAIMXHJCADE-JTQLQIEISA-N 0 0 320.736 0.962 50 0 DCAARN CO[C@H]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000095972001 294518114 /nfs/dbraw/zinc/51/81/14/294518114.db2.gz MZIISMXSEUMGGC-WDEREUQCSA-N 0 0 306.428 0.588 50 0 DCAARN C[C@H](C(=O)NCCS(=O)(=O)N(C)C)n1cc(Cl)cn1 ZINC000299798801 298155815 /nfs/dbraw/zinc/15/58/15/298155815.db2.gz UFNSJSBRMKIPMA-MRVPVSSYSA-N 0 0 308.791 0.105 50 0 DCAARN C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)NC3CCCCC3)CN2C1=O ZINC000014744247 300567379 /nfs/dbraw/zinc/56/73/79/300567379.db2.gz GIHKBLWRYHPZAF-USWWRNFRSA-N 0 0 308.382 0.106 50 0 DCAARN Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c2c(=O)[nH]n(C)c2n1 ZINC000032633686 301119361 /nfs/dbraw/zinc/11/93/61/301119361.db2.gz KTIYYHXSOYENOY-AOOOYVTPSA-N 0 0 304.350 0.819 50 0 DCAARN Cc1cc(C)n(C[C@@H]2CN(CCCS(C)(=O)=O)CCO2)n1 ZINC000069351332 301240698 /nfs/dbraw/zinc/24/06/98/301240698.db2.gz NWVMGIPCLOSCOJ-AWEZNQCLSA-N 0 0 315.439 0.635 50 0 DCAARN Cc1ccncc1C(=O)N1CCNC[C@@H]1C(=O)N1CCCC1 ZINC000072126358 302287719 /nfs/dbraw/zinc/28/77/19/302287719.db2.gz NKHPRNPJCAPTEI-CQSZACIVSA-N 0 0 302.378 0.426 50 0 DCAARN Cn1cc(N2CC[C@H](N3C(=O)N4CCC[C@]4(C)C3=O)C2=O)cn1 ZINC000253420264 302914737 /nfs/dbraw/zinc/91/47/37/302914737.db2.gz KBIWOSKQWJBDIH-XHDPSFHLSA-N 0 0 317.349 0.342 50 0 DCAARN NC(=O)NCC(=O)N1CC[C@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091906521 303276122 /nfs/dbraw/zinc/27/61/22/303276122.db2.gz YZJPKKCWQUQBEW-INIZCTEOSA-N 0 0 322.409 0.438 50 0 DCAARN Cc1c(S(=O)(=O)N[C@H](c2nccn2C)C2CC2)cnn1C ZINC000534582508 334289944 /nfs/dbraw/zinc/28/99/44/334289944.db2.gz IEERBFYZHICXDI-LBPRGKRZSA-N 0 0 309.395 0.892 50 0 DCAARN CN(Cc1ccccc1)S(=O)(=O)N1C[C@@H]2NCCO[C@H]2C1 ZINC000534589490 334293872 /nfs/dbraw/zinc/29/38/72/334293872.db2.gz CJIDNTXUNVFABY-KBPBESRZSA-N 0 0 311.407 0.036 50 0 DCAARN CN(CC(=O)[O-])c1ncc(CN2CCc3nc[nH]c3C2)cn1 ZINC000534646441 334306339 /nfs/dbraw/zinc/30/63/39/334306339.db2.gz HUNCKNSJFAMRER-UHFFFAOYSA-N 0 0 302.338 0.279 50 0 DCAARN CC(=O)c1c(C)nn(CCC(=O)NCCn2cncn2)c1C ZINC000534660469 334313463 /nfs/dbraw/zinc/31/34/63/334313463.db2.gz BZZAGQCCENJYDI-UHFFFAOYSA-N 0 0 304.354 0.501 50 0 DCAARN NC(=O)[C@@H]1CC=CC[C@H]1Nc1ncc(F)c(N2CCOCC2)n1 ZINC000534649165 334316770 /nfs/dbraw/zinc/31/67/70/334316770.db2.gz AJMPZOUUWYQVPM-ZYHUDNBSSA-N 0 0 321.356 0.684 50 0 DCAARN O=C1[C@@H]2ON3CCOC[C@H]3[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000247777323 341370241 /nfs/dbraw/zinc/37/02/41/341370241.db2.gz XYHVDHOGTZELOX-SDDRHHMPSA-N 0 0 308.721 0.844 50 0 DCAARN Cc1cc(COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)no1 ZINC000008393934 518187263 /nfs/dbraw/zinc/18/72/63/518187263.db2.gz XTDONDXCMRYIRL-UHFFFAOYSA-N 0 0 323.330 0.524 50 0 DCAARN Cn1nc(C(N)=O)c2c1CCN(CCn1cnc3ccccc31)C2 ZINC000244673987 518195631 /nfs/dbraw/zinc/19/56/31/518195631.db2.gz HZHVLBFZDRXHNO-UHFFFAOYSA-N 0 0 324.388 0.927 50 0 DCAARN Cc1noc(C)c1CN1CCN(C(=O)[C@H]2CSCN2)CC1 ZINC000165461854 534355109 /nfs/dbraw/zinc/35/51/09/534355109.db2.gz RVLHYVVFAKJGEF-CYBMUJFWSA-N 0 0 310.423 0.598 50 0 DCAARN O=C(Nc1cccc(S(=O)(=O)NCCO)c1)c1ccccn1 ZINC000408521022 534364349 /nfs/dbraw/zinc/36/43/49/534364349.db2.gz FTEMYHCZQBKTCT-UHFFFAOYSA-N 0 0 321.358 0.605 50 0 DCAARN NC(=O)[C@H]1CC[C@@H](CNC(=O)N2CCc3ccccc3CC2)O1 ZINC000154293637 534458024 /nfs/dbraw/zinc/45/80/24/534458024.db2.gz IFMJRJRQBGDVOH-LSDHHAIUSA-N 0 0 317.389 0.830 50 0 DCAARN COC[C@H](NC(=O)N1CCN(c2cnn(C)c2)CC1)C1CC1 ZINC000126787083 522707349 /nfs/dbraw/zinc/70/73/49/522707349.db2.gz OUADJPAHESBCRE-AWEZNQCLSA-N 0 0 307.398 0.677 50 0 DCAARN Cc1nc(-c2cccc(C(=O)N[C@H]3CCN(C)C3=O)c2)nn1C ZINC000299783976 534859138 /nfs/dbraw/zinc/85/91/38/534859138.db2.gz KSGUPPDFDLYIRU-ZDUSSCGKSA-N 0 0 313.361 0.751 50 0 DCAARN CC(C)(C)c1ccc(C(=O)NCC(=O)N2C[C@@H](O)[C@H](O)C2)cc1 ZINC000408515242 526765063 /nfs/dbraw/zinc/76/50/63/526765063.db2.gz NLJRRTLRAJKOBE-ZIAGYGMSSA-N 0 0 320.389 0.278 50 0 DCAARN CC(=O)N[C@H](C(=O)NC[C@H](C)N1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000245225362 526869464 /nfs/dbraw/zinc/86/94/64/526869464.db2.gz TUYOCKFILANZFW-ABHRYQDASA-N 0 0 313.442 0.761 50 0 DCAARN CC(C)S(=O)(=O)CCCn1cc(S(=O)(=O)N(C)C)cn1 ZINC000330956461 528299117 /nfs/dbraw/zinc/29/91/17/528299117.db2.gz KETIIBICKYAKCB-UHFFFAOYSA-N 0 0 323.440 0.347 50 0 DCAARN CCC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)OC ZINC000390833864 528992960 /nfs/dbraw/zinc/99/29/60/528992960.db2.gz OESPBUWOXCBLJQ-LLVKDONJSA-N 0 0 314.363 0.406 50 0 DCAARN CCCN(C(=O)c1ccc2n[nH]nc2c1)[C@@H]1CC(=O)N(C)C1=O ZINC000283702862 535242388 /nfs/dbraw/zinc/24/23/88/535242388.db2.gz YNEDIYYLNYUQOT-GFCCVEGCSA-N 0 0 315.333 0.567 50 0 DCAARN Cc1cc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)n(C)n1 ZINC000043433440 545648987 /nfs/dbraw/zinc/64/89/87/545648987.db2.gz KPMRXXBHPLRNNK-UHFFFAOYSA-N 0 0 323.378 0.698 50 0 DCAARN CCN(Cc1ccc(F)c(F)c1)C(=O)CS(=O)(=O)NC ZINC000083598905 545698799 /nfs/dbraw/zinc/69/87/99/545698799.db2.gz JHOFLKNUZXWOKO-UHFFFAOYSA-N 0 0 306.334 0.863 50 0 DCAARN O=C(NCCNc1ncccn1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000084579412 545703070 /nfs/dbraw/zinc/70/30/70/545703070.db2.gz GICJFOVGVPMUKG-ZIAGYGMSSA-N 0 0 313.361 0.846 50 0 DCAARN CC[C@H]1CN(C(=O)CCCn2cncn2)C[C@H]1N1CCOCC1 ZINC000084735810 545704282 /nfs/dbraw/zinc/70/42/82/545704282.db2.gz MRAXWXQXBXPZCA-LSDHHAIUSA-N 0 0 321.425 0.628 50 0 DCAARN O=C(N[C@H]1CCOC1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000179049793 545897815 /nfs/dbraw/zinc/89/78/15/545897815.db2.gz CDESOFPUZQBBAG-LBPRGKRZSA-N 0 0 310.375 0.646 50 0 DCAARN CSCC[C@@H](O)C(=O)NCc1ccccc1-n1cncn1 ZINC000215829579 545938568 /nfs/dbraw/zinc/93/85/68/545938568.db2.gz HTUIDXFBVQFCRI-CYBMUJFWSA-N 0 0 306.391 0.998 50 0 DCAARN Cn1nc2n(c1=O)C[C@@H](C(=O)N1CCOC3(CCCC3)C1)CC2 ZINC000222357560 545941525 /nfs/dbraw/zinc/94/15/25/545941525.db2.gz YJELBDPJSJYSSO-LBPRGKRZSA-N 0 0 320.393 0.316 50 0 DCAARN Cc1ncn(CCNC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1C ZINC000222640775 545941971 /nfs/dbraw/zinc/94/19/71/545941971.db2.gz UDPBUXLGRPHDDV-LBPRGKRZSA-N 0 0 314.411 0.040 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccco2)C1 ZINC000668404049 546755702 /nfs/dbraw/zinc/75/57/02/546755702.db2.gz ITHMIMYULMAKKK-GMTAPVOTSA-N 0 0 313.379 0.469 50 0 DCAARN CNC(=O)CCC(C)(C)NC(=O)COC[C@@H]1CCCCO1 ZINC000670440452 547090827 /nfs/dbraw/zinc/09/08/27/547090827.db2.gz LSOLMRMFBRORGR-LBPRGKRZSA-N 0 0 300.399 0.993 50 0 DCAARN O=C(c1ccc(Cn2cccn2)o1)N1CCN2C(=O)OC[C@H]2C1 ZINC000670456871 547097601 /nfs/dbraw/zinc/09/76/01/547097601.db2.gz UDQLTZRLHQDSLG-LLVKDONJSA-N 0 0 316.317 0.801 50 0 DCAARN CCn1cc(S(=O)(=O)NCCN2CCCC[C@@H]2CO)cn1 ZINC000670459489 547097761 /nfs/dbraw/zinc/09/77/61/547097761.db2.gz LEMXEMGASGQFNN-GFCCVEGCSA-N 0 0 316.427 0.028 50 0 DCAARN CN(C)C(=O)c1cncc(N2CCC[C@@H](c3nnc[nH]3)C2)n1 ZINC000670467076 547100680 /nfs/dbraw/zinc/10/06/80/547100680.db2.gz FNDLXZXCRBOZKC-SNVBAGLBSA-N 0 0 301.354 0.681 50 0 DCAARN Cc1nccn1CCC[N@@H+]1C[C@H](C(=O)N(C)C)CC[C@H]1C(=O)[O-] ZINC000685940321 548746055 /nfs/dbraw/zinc/74/60/55/548746055.db2.gz DPZLZASZQPEREO-KGLIPLIRSA-N 0 0 322.409 0.835 50 0 DCAARN CC(C)c1cc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)nn1C ZINC000685941739 548746772 /nfs/dbraw/zinc/74/67/72/548746772.db2.gz HQYLQSVGLHCWAP-GXTWGEPZSA-N 0 0 319.365 0.843 50 0 DCAARN COC[C@@H]1[C@H](NC(=O)CNC(=O)c2ccccc2)[C@@H]2CCO[C@H]12 ZINC000222301286 563724719 /nfs/dbraw/zinc/72/47/19/563724719.db2.gz WKDBADYFFVWFAY-XNISGKROSA-N 0 0 318.373 0.583 50 0 DCAARN O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@H]1CC(=O)N(CC2CC2)C1 ZINC000170061295 563903326 /nfs/dbraw/zinc/90/33/26/563903326.db2.gz LTRQIRMFBYLGAU-JJRVBVJISA-N 0 0 322.405 0.699 50 0 DCAARN CCCCN1c2ccccc2[C@](O)(c2sc(N)nc2O)C1=O ZINC000102423748 658422714 /nfs/dbraw/zinc/42/27/14/658422714.db2.gz WRKNGODCNDMGIS-NHYWBVRUSA-N 0 0 319.386 0.978 50 0 DCAARN COCCn1cncc1CNC(=O)CSc1n[nH]c(C)n1 ZINC000299779414 659643723 /nfs/dbraw/zinc/64/37/23/659643723.db2.gz VLBQOLZAJFSHSM-UHFFFAOYSA-N 0 0 310.383 0.365 50 0 DCAARN CC[C@H](C)C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)OC ZINC000585089659 661465188 /nfs/dbraw/zinc/46/51/88/661465188.db2.gz IPRICHVVGXTMTB-HBNTYKKESA-N 0 0 305.396 0.515 50 0 DCAARN Cn1c(C(=O)NCc2cccc(C(=O)NC3CC3)c2)c[nH]c1=O ZINC000585089384 662947712 /nfs/dbraw/zinc/94/77/12/662947712.db2.gz JCOFOFVSTZVGKP-UHFFFAOYSA-N 0 0 314.345 0.948 50 0 DCAARN CC(C)N1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccccn1 ZINC000012439756 666641366 /nfs/dbraw/zinc/64/13/66/666641366.db2.gz IFMLJJLRVIZADD-AWEZNQCLSA-N 0 0 304.394 0.639 50 0 DCAARN CN(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000105598973 668136748 /nfs/dbraw/zinc/13/67/48/668136748.db2.gz FBUHIOGVAISUMG-ZDUSSCGKSA-N 0 0 301.350 0.978 50 0 DCAARN CN(C)C(=O)COc1c2c(cc3c1C(=O)N(C)CC3)OCO2 ZINC000827868993 668139005 /nfs/dbraw/zinc/13/90/05/668139005.db2.gz BMHORJWOHIUEPE-UHFFFAOYSA-N 0 0 306.318 0.510 50 0 DCAARN Cc1ccn2ncc(C(=O)N[C@@H](C)c3nnnn3C3CC3)c2n1 ZINC000190287424 670409932 /nfs/dbraw/zinc/40/99/32/670409932.db2.gz FSEGWJOBEFIHCQ-VIFPVBQESA-N 0 0 312.337 0.850 50 0 DCAARN Cc1ccn2ncc(C(=O)N[C@H](C)c3nnnn3C3CC3)c2n1 ZINC000190287450 670410111 /nfs/dbraw/zinc/41/01/11/670410111.db2.gz FSEGWJOBEFIHCQ-SECBINFHSA-N 0 0 312.337 0.850 50 0 DCAARN COC(=O)N[C@H](C)C(=O)N1CCC(CNC(=O)C2CC2)CC1 ZINC000952974642 685600401 /nfs/dbraw/zinc/60/04/01/685600401.db2.gz JXFIVKRPWKODGN-SNVBAGLBSA-N 0 0 311.382 0.496 50 0 DCAARN CN1C[C@]2(C)CN(C(=O)CCS(C)(=O)=O)C[C@](C)(C1)C2 ZINC000952984210 685601848 /nfs/dbraw/zinc/60/18/48/685601848.db2.gz XVCWTDQJVIBRTH-OKILXGFUSA-N 0 0 302.440 0.611 50 0 DCAARN CCc1csc(CNC(=O)NC[C@H]2CCS(=O)(=O)C2)n1 ZINC000952990222 685602743 /nfs/dbraw/zinc/60/27/43/685602743.db2.gz LRLLQVIITZYZRF-SECBINFHSA-N 0 0 317.436 0.939 50 0 DCAARN CN1CCO[C@@H](C(=O)N2CCN(c3cc(Cl)ccn3)CC2)C1 ZINC000952992789 685603494 /nfs/dbraw/zinc/60/34/94/685603494.db2.gz BOCSWDWKBYAMCQ-CYBMUJFWSA-N 0 0 324.812 0.714 50 0 DCAARN CN1CCO[C@H](C(=O)N2CCN(c3cc(Cl)ccn3)CC2)C1 ZINC000952992790 685603679 /nfs/dbraw/zinc/60/36/79/685603679.db2.gz BOCSWDWKBYAMCQ-ZDUSSCGKSA-N 0 0 324.812 0.714 50 0 DCAARN CCc1ccc(C(=O)N2CCN3C(=O)[C@H](C)NC(=O)[C@H]3C2)cc1 ZINC000014742366 685049167 /nfs/dbraw/zinc/04/91/67/685049167.db2.gz QXTMDRPNMWFZFC-SMDDNHRTSA-N 0 0 315.373 0.420 50 0 DCAARN C[C@H](C(=O)N[C@H]1CCCCNC1=O)n1c2ccccc2oc1=O ZINC000020781333 685052439 /nfs/dbraw/zinc/05/24/39/685052439.db2.gz KNEUGBAVHYFVSC-MNOVXSKESA-N 0 0 317.345 0.940 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)N2CCC[C@H](C(=O)N(C)C)C2)CC1=O ZINC000063686762 685063491 /nfs/dbraw/zinc/06/34/91/685063491.db2.gz VCBSUQYHSOOADX-KBPBESRZSA-N 0 0 323.437 0.818 50 0 DCAARN O=C(c1cc(=O)c2ccccc2o1)N1CCC([C@@H](O)CO)CC1 ZINC001772707886 1157845279 /nfs/dbraw/zinc/84/52/79/1157845279.db2.gz YFMKEVADCLLRTF-AWEZNQCLSA-N 0 0 317.341 0.998 50 0 DCAARN O=C(CN1CCC([C@H](O)CO)CC1)NCCc1ccccc1 ZINC001772708216 1157845796 /nfs/dbraw/zinc/84/57/96/1157845796.db2.gz GEOQUMZTMRRVRJ-MRXNPFEDSA-N 0 0 306.406 0.411 50 0 DCAARN C[C@@H]1C(=O)N2CCC[C@H]2CN1C(=O)c1cnc(C2CC2)[nH]c1=O ZINC001772711553 1157849178 /nfs/dbraw/zinc/84/91/78/1157849178.db2.gz VFHZOMNRHSUUAO-KOLCDFICSA-N 0 0 316.361 0.895 50 0 DCAARN CN1C[C@H]2COC[C@@H]1CN(S(=O)(=O)c1cccs1)C2 ZINC001704305581 1179965000 /nfs/dbraw/zinc/96/50/00/1179965000.db2.gz LQGYRNFCFCOEIK-MNOVXSKESA-N 0 0 302.421 0.699 50 0 DCAARN Cc1cnc(C)nc1N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C ZINC001704304351 1179965747 /nfs/dbraw/zinc/96/57/47/1179965747.db2.gz DISZHVYCJZUIID-NWDGAFQWSA-N 0 0 314.411 0.412 50 0 DCAARN Cc1ccccc1C(=O)N1C[C@H]2COC[C@@H]1C[N@H+](CC(=O)[O-])C2 ZINC001704305554 1179967811 /nfs/dbraw/zinc/96/78/11/1179967811.db2.gz XQMJLWKSAQASBR-KBPBESRZSA-N 0 0 318.373 0.852 50 0 DCAARN CNC(=O)CC[N@@H+]1CC[C@](Cc2ccccc2)(C(=O)[O-])[C@@H](O)C1 ZINC001704334338 1179977305 /nfs/dbraw/zinc/97/73/05/1179977305.db2.gz HYILVXLWXRAPTI-WMLDXEAASA-N 0 0 320.389 0.503 50 0 DCAARN O=C(COc1cccnc1)NCCn1ncc2ccccc2c1=O ZINC001704354026 1179983605 /nfs/dbraw/zinc/98/36/05/1179983605.db2.gz RGZFBOZXNVJNBM-UHFFFAOYSA-N 0 0 324.340 0.987 50 0 DCAARN O=C1NCCN(Cc2nc3ncccn3n2)[C@@H]1Cc1ccccc1 ZINC001704353501 1179983616 /nfs/dbraw/zinc/98/36/16/1179983616.db2.gz YRXOATYOEPDNQQ-CQSZACIVSA-N 0 0 322.372 0.667 50 0 DCAARN COCCC(=O)N1CCC2(CC1)[C@H](OC)C(=O)N2CC1CC1 ZINC000581802464 747694836 /nfs/dbraw/zinc/69/48/36/747694836.db2.gz KIDQTGVGMLBXKD-CQSZACIVSA-N 0 0 310.394 0.651 50 0 DCAARN O=c1cc2c(nn1CC1CN(c3ncncc3F)C1)CCC2 ZINC000585604354 748365230 /nfs/dbraw/zinc/36/52/30/748365230.db2.gz ILCQURNXLYZHRY-UHFFFAOYSA-N 0 0 301.325 0.798 50 0 DCAARN C[C@@H](Cn1cncn1)NC(=O)/C=C/c1cnc(N(C)C)nc1 ZINC000821529013 758175474 /nfs/dbraw/zinc/17/54/74/758175474.db2.gz YQKCPKFILCUXSI-ZWNMCFTASA-N 0 0 301.354 0.352 50 0 DCAARN CCc1noc(CCNS(=O)(=O)N2CCC(C)CC2)n1 ZINC000823569488 758252014 /nfs/dbraw/zinc/25/20/14/758252014.db2.gz RCMMFDWLCDHZSL-UHFFFAOYSA-N 0 0 302.400 0.741 50 0 DCAARN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cc(C(N)=O)cs1 ZINC000823774856 758266312 /nfs/dbraw/zinc/26/63/12/758266312.db2.gz WRHCKMIBLZRCPV-JTQLQIEISA-N 0 0 317.436 0.562 50 0 DCAARN COc1cc(C)ccc1S(=O)(=O)N1C[C@H](O)[C@@H](OC)C1 ZINC000824504719 758778228 /nfs/dbraw/zinc/77/82/28/758778228.db2.gz HMCHHEIOVYJVJL-JQWIXIFHSA-N 0 0 301.364 0.384 50 0 DCAARN NC(=O)Cc1nc([C@@H]2CCC(=O)N2)n(-c2ccccc2Cl)n1 ZINC000826842299 758844709 /nfs/dbraw/zinc/84/47/09/758844709.db2.gz PNELJPKJTOLHLL-VIFPVBQESA-N 0 0 319.752 0.900 50 0 DCAARN CN(C[C@H]1CCOC1)S(=O)(=O)c1cc(C(N)=O)cs1 ZINC000826848972 758845876 /nfs/dbraw/zinc/84/58/76/758845876.db2.gz CTPSCNWBAYPBGL-MRVPVSSYSA-N 0 0 304.393 0.504 50 0 DCAARN CN(C)c1ncc(C=CC(=O)NCCSc2c[nH]nn2)cn1 ZINC000827603858 758870894 /nfs/dbraw/zinc/87/08/94/758870894.db2.gz OCVGBMRWAGYYRJ-ONEGZZNKSA-N 0 0 319.394 0.582 50 0 DCAARN O=C(Cc1ccc(NC(=O)Cn2cnnn2)cc1)NC1CC1 ZINC000827864221 758891350 /nfs/dbraw/zinc/89/13/50/758891350.db2.gz CZXCIOCEZOMXTF-UHFFFAOYSA-N 0 0 300.322 0.133 50 0 DCAARN O=c1ccncn1CC1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000585639040 768082152 /nfs/dbraw/zinc/08/21/52/768082152.db2.gz XZDGXMIFELSLDJ-UHFFFAOYSA-N 0 0 311.349 0.826 50 0 DCAARN C=CS(=O)(=O)NCc1cccnc1N(C)S(C)(=O)=O ZINC000667988063 765055826 /nfs/dbraw/zinc/05/58/26/765055826.db2.gz SMATVXNHQBPVRX-UHFFFAOYSA-N 0 0 305.381 0.040 50 0 DCAARN C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)C1CS(=O)(=O)C1 ZINC000585079738 766267957 /nfs/dbraw/zinc/26/79/57/766267957.db2.gz HPACWOHQNRUOKO-SECBINFHSA-N 0 0 321.395 0.945 50 0 DCAARN O=S(=O)(Cc1ccc(F)cc1Br)NCCO ZINC000585135244 766292916 /nfs/dbraw/zinc/29/29/16/766292916.db2.gz YBGINQMVUZSWEB-UHFFFAOYSA-N 0 0 312.160 1.000 50 0 DCAARN CN(CCn1cnnc1)S(=O)(=O)N1CCc2ccccc2C1 ZINC000952875936 768936839 /nfs/dbraw/zinc/93/68/39/768936839.db2.gz CTSOQRPFEDBCNL-UHFFFAOYSA-N 0 0 321.406 0.513 50 0 DCAARN C=CS(=O)(=O)CCC(=O)Nc1cc(-c2cnn(C)c2)nn1C ZINC000952882516 768950215 /nfs/dbraw/zinc/95/02/15/768950215.db2.gz VYBATSTWIHSGTB-UHFFFAOYSA-N 0 0 323.378 0.708 50 0 DCAARN Cc1cc(C[C@@H]2C[N@H+](Cc3c[nH]nc3C(=O)[O-])C[C@@H]2O)on1 ZINC001529125972 1014500423 /nfs/dbraw/zinc/50/04/23/1014500423.db2.gz GIBVCMOGBPPRJU-SKDRFNHKSA-N 0 0 306.322 0.440 50 0 DCAARN O=C([C@H]1OCC(=O)N[C@@H]1c1ccccc1)N1CCC(O)CC1 ZINC001529134137 1014502292 /nfs/dbraw/zinc/50/22/92/1014502292.db2.gz XYOGCRWHVANKBJ-CABCVRRESA-N 0 0 304.346 0.226 50 0 DCAARN Cn1ccnc1CC[NH+]1CCC2(CC1)[C@H](C(=O)[O-])CC(=O)N2C ZINC001529151973 1014507563 /nfs/dbraw/zinc/50/75/63/1014507563.db2.gz IESGXJWHWVRXLN-LBPRGKRZSA-N 0 0 320.393 0.360 50 0 DCAARN CN(C)C(=O)NCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 ZINC001529197933 1014518810 /nfs/dbraw/zinc/51/88/10/1014518810.db2.gz ZFIVZXBYYYAKAP-UKRRQHHQSA-N 0 0 321.377 0.219 50 0 DCAARN CCC1(C(=O)NC)CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 ZINC001506413201 1017263061 /nfs/dbraw/zinc/26/30/61/1017263061.db2.gz HSACABUVGRVCPR-LBPRGKRZSA-N 0 0 324.425 0.542 50 0 DCAARN CCC(=O)N1CCC(C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-])CC1 ZINC001506431446 1017272717 /nfs/dbraw/zinc/27/27/17/1017272717.db2.gz KNBXZFOKNRGJFE-LBPRGKRZSA-N 0 0 313.398 0.333 50 0 DCAARN CCn1ccnc1[C@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC000095498715 185374508 /nfs/dbraw/zinc/37/45/08/185374508.db2.gz JERUZSJYZYQUNR-AWEZNQCLSA-N 0 0 306.410 0.941 50 0 DCAARN Nc1n[nH]c(CCNC(=O)[C@@H]2CCOc3ccccc3C2)n1 ZINC000095503805 185375260 /nfs/dbraw/zinc/37/52/60/185375260.db2.gz RALYGSDGOGYJFS-LLVKDONJSA-N 0 0 301.350 0.687 50 0 DCAARN CN(C)C(=O)c1nc(CN2C(=O)COc3ccccc32)no1 ZINC000095509159 185375766 /nfs/dbraw/zinc/37/57/66/185375766.db2.gz ORAWDVNOIBDYQR-UHFFFAOYSA-N 0 0 302.290 0.697 50 0 DCAARN Cn1nc2c(cc1=O)CN(Cc1cn(-c3ccccc3)nn1)CC2 ZINC000078931524 185130432 /nfs/dbraw/zinc/13/04/32/185130432.db2.gz MJLNPLNCSLUSRD-UHFFFAOYSA-N 0 0 322.372 0.919 50 0 DCAARN COc1ccc([C@H](CO)N(C)CC(=O)NC2CCOCC2)cc1 ZINC000079091208 185156346 /nfs/dbraw/zinc/15/63/46/185156346.db2.gz HFXCFXSFOYLCFF-INIZCTEOSA-N 0 0 322.405 0.956 50 0 DCAARN COC(=O)CCNC(=O)c1cnc2sc(C)c(C)n2c1=O ZINC000079480136 185173454 /nfs/dbraw/zinc/17/34/54/185173454.db2.gz ZMITYNLPPMYYMO-UHFFFAOYSA-N 0 0 309.347 0.666 50 0 DCAARN Cn1c2ccc(C(=O)N3CC[S@](=O)C(C)(C)C3)cc2[nH]c1=O ZINC000088292766 185244784 /nfs/dbraw/zinc/24/47/84/185244784.db2.gz BNMAWEMPJDFFCX-JOCHJYFZSA-N 0 0 321.402 0.850 50 0 DCAARN COc1cc(/C=C\C(=O)N[C@@H](C)C(N)=O)cc(OC)c1OC ZINC000096926303 185392085 /nfs/dbraw/zinc/39/20/85/185392085.db2.gz BUDWTWKAJWKISX-UDIARPCQSA-N 0 0 308.334 0.716 50 0 DCAARN NS(=O)(=O)CC1CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000089991718 185275337 /nfs/dbraw/zinc/27/53/37/185275337.db2.gz CNCWRNQNJBMIPR-AWEZNQCLSA-N 0 0 316.398 0.860 50 0 DCAARN CC(=O)N1CCN(C(=O)NCCc2cn3ccccc3n2)CC1 ZINC000089954500 185271297 /nfs/dbraw/zinc/27/12/97/185271297.db2.gz UPWQJNHQPJBKBQ-UHFFFAOYSA-N 0 0 315.377 0.751 50 0 DCAARN CCNC(=O)CN1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 ZINC000082098713 192355514 /nfs/dbraw/zinc/35/55/14/192355514.db2.gz MZOHXLVPULGWLY-MRXNPFEDSA-N 0 0 315.417 0.997 50 0 DCAARN CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(CC)o2)C1 ZINC000092569662 185326474 /nfs/dbraw/zinc/32/64/74/185326474.db2.gz FLUBRGBQEHUVAO-NSHDSACASA-N 0 0 300.380 0.996 50 0 DCAARN C[C@@H](C(=O)N(C)C)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000242292510 295697093 /nfs/dbraw/zinc/69/70/93/295697093.db2.gz YMWNKKSTMOKCEJ-JTQLQIEISA-N 0 0 303.428 0.009 50 0 DCAARN CN(CCc1cnn(C)c1)C(=O)c1cccc(S(N)(=O)=O)c1 ZINC000095389568 185351221 /nfs/dbraw/zinc/35/12/21/185351221.db2.gz DMBGGRWFGNDXCZ-UHFFFAOYSA-N 0 0 322.390 0.382 50 0 DCAARN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)C(=O)c2cccn2C)on1 ZINC000095391233 185351431 /nfs/dbraw/zinc/35/14/31/185351431.db2.gz GAWIAEWTYYXXRC-YPMHNXCESA-N 0 0 317.345 0.878 50 0 DCAARN CC(C)(C(=O)N1CC[C@H](S(N)(=O)=O)C1)c1ccc(F)cc1 ZINC000095395538 185352761 /nfs/dbraw/zinc/35/27/61/185352761.db2.gz DIFKCLCIGLVZIS-LBPRGKRZSA-N 0 0 314.382 0.993 50 0 DCAARN CCS(=O)(=O)CCN1CCN(C(=O)c2ccoc2C)CC1 ZINC000095398563 185353542 /nfs/dbraw/zinc/35/35/42/185353542.db2.gz PVWLBGSHDYUHJO-UHFFFAOYSA-N 0 0 314.407 0.781 50 0 DCAARN O=C(NCCCNC(=O)c1cccc(O)c1)c1cc[n+]([O-])cc1 ZINC000097000773 185396096 /nfs/dbraw/zinc/39/60/96/185396096.db2.gz ZSPYCSOHWGSBCT-UHFFFAOYSA-N 0 0 315.329 0.576 50 0 DCAARN O=C(NCC1CC1)[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000095404336 185355541 /nfs/dbraw/zinc/35/55/41/185355541.db2.gz NFEMODKUNBBNMG-LBPRGKRZSA-N 0 0 300.366 0.867 50 0 DCAARN C[C@H](CCn1cncn1)NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000095408084 185356521 /nfs/dbraw/zinc/35/65/21/185356521.db2.gz BOYJTNNNLLPPRL-OCCSQVGLSA-N 0 0 319.409 0.822 50 0 DCAARN Cc1cn(C[C@@H](O)CN2CCOCC2)c(=O)n1-c1ccccc1 ZINC000095430269 185362813 /nfs/dbraw/zinc/36/28/13/185362813.db2.gz KOSWPQQYHIHKCE-INIZCTEOSA-N 0 0 317.389 0.641 50 0 DCAARN O=C(CCc1nc2ccccc2c(=O)n1C1CC1)N1CC(O)C1 ZINC000095422175 185360888 /nfs/dbraw/zinc/36/08/88/185360888.db2.gz RXZPEEDFZHDEKH-UHFFFAOYSA-N 0 0 313.357 0.867 50 0 DCAARN NC(=O)NC(=O)CCn1cc(I)cn1 ZINC000095438744 185365879 /nfs/dbraw/zinc/36/58/79/185365879.db2.gz ANBDXHVMBRBBGG-UHFFFAOYSA-N 0 0 308.079 0.073 50 0 DCAARN CC(=O)N[C@H](C)C(=O)Nc1nc(Cc2cccc(F)c2)n[nH]1 ZINC000097080812 185406687 /nfs/dbraw/zinc/40/66/87/185406687.db2.gz IAWIOONJDBKQEE-MRVPVSSYSA-N 0 0 305.313 0.420 50 0 DCAARN CNC(=O)[C@H](C)CN(C)C(=O)Nc1cccnc1C(=O)OC ZINC000225738605 201740154 /nfs/dbraw/zinc/74/01/54/201740154.db2.gz CPRBPLTWYLXITD-SECBINFHSA-N 0 0 308.338 0.714 50 0 DCAARN COc1ccccc1CCNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC000044441064 190673792 /nfs/dbraw/zinc/67/37/92/190673792.db2.gz UALKLUQQUPXGLS-UHFFFAOYSA-N 0 0 317.345 0.282 50 0 DCAARN CN(Cc1nncn1C)S(=O)(=O)N1CCc2ccccc2C1 ZINC000332200839 530031288 /nfs/dbraw/zinc/03/12/88/530031288.db2.gz YZRJXCLGWDTFAW-UHFFFAOYSA-N 0 0 321.406 0.550 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000170619447 197793564 /nfs/dbraw/zinc/79/35/64/197793564.db2.gz IQXZVTBEMKICTR-TZMCWYRMSA-N 0 0 315.377 0.667 50 0 DCAARN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 ZINC000170626271 197795104 /nfs/dbraw/zinc/79/51/04/197795104.db2.gz NKUYVRXHLKDOOF-STQMWFEESA-N 0 0 312.410 0.803 50 0 DCAARN CCN(CC(=O)NC(C)C)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000229755969 201847647 /nfs/dbraw/zinc/84/76/47/201847647.db2.gz ONFASUBMJNCCQS-GFCCVEGCSA-N 0 0 305.444 0.810 50 0 DCAARN O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)c1ccco1 ZINC000069776565 303989454 /nfs/dbraw/zinc/98/94/54/303989454.db2.gz DXGKAFQVLBSPIB-RYUDHWBXSA-N 0 0 312.391 0.661 50 0 DCAARN Cc1cccn(CC(=O)N2CCN(C(=O)C3CC3)CC2)c1=O ZINC000069950003 190842359 /nfs/dbraw/zinc/84/23/59/190842359.db2.gz XRYQLFJFKWDUOE-UHFFFAOYSA-N 0 0 303.362 0.238 50 0 DCAARN C[NH+](C)[C@@H](CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1 ZINC000080402606 192155941 /nfs/dbraw/zinc/15/59/41/192155941.db2.gz PNYJLLPSXHYIGC-NSHDSACASA-N 0 0 317.349 0.094 50 0 DCAARN O=C(CN1CCO[C@H](C(F)(F)F)C1)NCc1ccccn1 ZINC000071764562 191027643 /nfs/dbraw/zinc/02/76/43/191027643.db2.gz NPRNORWMSKGIBB-NSHDSACASA-N 0 0 303.284 0.961 50 0 DCAARN O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCC[C@@](O)(CO)C1 ZINC000072120664 191040709 /nfs/dbraw/zinc/04/07/09/191040709.db2.gz IEPIPVQLDFDALR-HNNXBMFYSA-N 0 0 302.334 0.431 50 0 DCAARN COc1cccc(CC(=O)N2CCC[C@@](O)(CO)C2)c1OC ZINC000072128393 191042931 /nfs/dbraw/zinc/04/29/31/191042931.db2.gz GSSKQJNAGVMWPD-INIZCTEOSA-N 0 0 309.362 0.592 50 0 DCAARN O=C(COc1ccc2c(c1)OCO2)N1CCC[C@@](O)(CO)CC1 ZINC000072132964 191044795 /nfs/dbraw/zinc/04/47/95/191044795.db2.gz JRHJQBJFQDKSKR-INIZCTEOSA-N 0 0 323.345 0.530 50 0 DCAARN CCCc1cnc(C)nc1N1CCN[C@H](C(=O)NC2CC2)C1 ZINC000072149203 191054416 /nfs/dbraw/zinc/05/44/16/191054416.db2.gz VWQUCHAPMIIYOW-AWEZNQCLSA-N 0 0 303.410 0.794 50 0 DCAARN CC(=O)Nc1ncc(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)s1 ZINC000072153675 191057248 /nfs/dbraw/zinc/05/72/48/191057248.db2.gz SPLIDMMEBFJEKO-CYBMUJFWSA-N 0 0 324.362 0.768 50 0 DCAARN CN1C[C@]2(CCN(C(=O)c3cnc4cccnn43)C2)OC1=O ZINC000072153397 191057514 /nfs/dbraw/zinc/05/75/14/191057514.db2.gz NZVOQDWXPDMVLY-AWEZNQCLSA-N 0 0 301.306 0.396 50 0 DCAARN COCCCn1cnnc1CNc1nc(C)nc2c1cnn2C ZINC000072152846 191057988 /nfs/dbraw/zinc/05/79/88/191057988.db2.gz LWSKSNLPCGAIMJ-UHFFFAOYSA-N 0 0 316.369 0.912 50 0 DCAARN O=C(NCCc1nc2c(s1)CCC2)c1cn2c(n1)CNCC2 ZINC000072164842 191064999 /nfs/dbraw/zinc/06/49/99/191064999.db2.gz UWPNYHXGAMPWKE-UHFFFAOYSA-N 0 0 317.418 0.904 50 0 DCAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1)NCCCO ZINC000072167569 191066799 /nfs/dbraw/zinc/06/67/99/191066799.db2.gz COVRUPUGZCDRNG-AWEZNQCLSA-N 0 0 323.368 0.015 50 0 DCAARN COCCN(C(=O)c1cn2c(n1)CNCC2)C1CC[NH+](C)CC1 ZINC000072172631 191069755 /nfs/dbraw/zinc/06/97/55/191069755.db2.gz SJVVQFFDYDQXCX-UHFFFAOYSA-N 0 0 321.425 0.169 50 0 DCAARN COCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 ZINC000072241733 191085267 /nfs/dbraw/zinc/08/52/67/191085267.db2.gz BCEFHZGDFRJOIQ-UONOGXRCSA-N 0 0 310.325 0.487 50 0 DCAARN CC(C)(C)c1nnc(CN2CCO[C@H](Cn3cncn3)C2)o1 ZINC000072267557 191089305 /nfs/dbraw/zinc/08/93/05/191089305.db2.gz CDYKHWAKGQVHIB-NSHDSACASA-N 0 0 306.370 0.860 50 0 DCAARN CCOC(=O)c1cn(CCN2C(=O)c3ccccc3C2=O)nn1 ZINC000072264961 191089551 /nfs/dbraw/zinc/08/95/51/191089551.db2.gz FBIUDGWNZVJNCW-UHFFFAOYSA-N 0 0 314.301 0.751 50 0 DCAARN COCCS(=O)(=O)N(C)Cc1ccc(C(=O)OC)cc1 ZINC000072273685 191095007 /nfs/dbraw/zinc/09/50/07/191095007.db2.gz STVLXCNJASJCOG-UHFFFAOYSA-N 0 0 301.364 0.881 50 0 DCAARN CN(Cc1nnc2ccccn21)c1nc2c(cnn2C)c(=O)[nH]1 ZINC000072281908 191102625 /nfs/dbraw/zinc/10/26/25/191102625.db2.gz DJUGRAZJALOIPR-UHFFFAOYSA-N 0 0 310.321 0.336 50 0 DCAARN NC(=O)Cn1cc(NC(=O)c2cccc(-n3ccnc3)c2)cn1 ZINC000072287258 191105936 /nfs/dbraw/zinc/10/59/36/191105936.db2.gz ADQXKTGBZNPWQC-UHFFFAOYSA-N 0 0 310.317 0.806 50 0 DCAARN Cc1nc(CNC(=O)c2cc(Cl)ccc2-n2cnnn2)no1 ZINC000072290180 191108775 /nfs/dbraw/zinc/10/87/75/191108775.db2.gz RJVPMQMVHUYHBJ-UHFFFAOYSA-N 0 0 319.712 0.937 50 0 DCAARN Cn1ccnc1N1CCN(c2ncc(C(N)=O)cc2Cl)CC1 ZINC000072293268 191109635 /nfs/dbraw/zinc/10/96/35/191109635.db2.gz GAPWKWWLIANEOA-UHFFFAOYSA-N 0 0 320.784 0.894 50 0 DCAARN C[C@@H](CC(N)=O)NC(=O)CN1c2ccccc2SCC1=O ZINC000072297823 191112861 /nfs/dbraw/zinc/11/28/61/191112861.db2.gz JMBQCTAEABFFRR-VIFPVBQESA-N 0 0 307.375 0.505 50 0 DCAARN Cc1csc([C@H]2CCCN(C(=O)CN3CC(=O)NC3=O)C2)n1 ZINC000072298628 191113062 /nfs/dbraw/zinc/11/30/62/191113062.db2.gz JFHHKQJSDPHGEF-JTQLQIEISA-N 0 0 322.390 0.709 50 0 DCAARN CN(Cc1c(Br)cnn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000225622758 186284419 /nfs/dbraw/zinc/28/44/19/186284419.db2.gz NVWXDLFYKDTHRV-MRVPVSSYSA-N 0 0 322.228 0.802 50 0 DCAARN CCN1CCN(C(=O)CNc2nc([C@@H](C)OC)ns2)CC1 ZINC000253396731 186305852 /nfs/dbraw/zinc/30/58/52/186305852.db2.gz KYDNLXFGGDIBTR-SNVBAGLBSA-N 0 0 313.427 0.822 50 0 DCAARN COc1ccc(CNC(=O)C(=O)N[C@H](C)c2cccnc2)cn1 ZINC000253407991 186308553 /nfs/dbraw/zinc/30/85/53/186308553.db2.gz REVQZDRBTJAFQV-LLVKDONJSA-N 0 0 314.345 0.979 50 0 DCAARN COC(=O)[C@H](CCSC)NC(=O)c1cc(=O)c(OC)co1 ZINC000253409615 186308865 /nfs/dbraw/zinc/30/88/65/186308865.db2.gz MCPIMNDDKVAOAP-QMMMGPOBSA-N 0 0 315.347 0.673 50 0 biogenic DCAARN COC(=O)[C@H](C)OC(=O)CN1c2ccccc2OCCC1=O ZINC000084098774 545697222 /nfs/dbraw/zinc/69/72/22/545697222.db2.gz PBZRIJNOLSQVIS-JTQLQIEISA-N 0 0 307.302 0.907 50 0 DCAARN CCc1cc(N2CCCN(S(C)(=O)=O)CC2)n2nccc2n1 ZINC000072410868 191154383 /nfs/dbraw/zinc/15/43/83/191154383.db2.gz ICUVRQZNUSCDEH-UHFFFAOYSA-N 0 0 323.422 0.763 50 0 DCAARN COc1cc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)ncn1 ZINC000072410706 191154411 /nfs/dbraw/zinc/15/44/11/191154411.db2.gz FMUNYDATCFRKHS-QWHCGFSZSA-N 0 0 320.393 0.685 50 0 DCAARN COc1ccc2cnn(CN3CCOCC3)c(=O)c2c1OC ZINC000072403356 191150866 /nfs/dbraw/zinc/15/08/66/191150866.db2.gz MOEWPFFYVZSZDZ-UHFFFAOYSA-N 0 0 305.334 0.703 50 0 DCAARN O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)CC[NH+]1CCCCC1 ZINC000072418201 191157085 /nfs/dbraw/zinc/15/70/85/191157085.db2.gz NRHKIFSGAPOXRO-CQSZACIVSA-N 0 0 306.366 0.796 50 0 DCAARN C[C@@H](C(=O)N1CCOCC1)N(c1ccccc1)S(C)(=O)=O ZINC000000080444 180686196 /nfs/dbraw/zinc/68/61/96/180686196.db2.gz LGMRBAGDHMZUAX-LBPRGKRZSA-N 0 0 312.391 0.700 50 0 DCAARN O=C([O-])[C@@]12CNC(=O)[C@@H]1C[N@H+](Cc1nc3ccccc3[nH]1)C2 ZINC000072429000 191161247 /nfs/dbraw/zinc/16/12/47/191161247.db2.gz MTXAQFYGDKQAKD-BJOHPYRUSA-N 0 0 300.318 0.196 50 0 DCAARN O=C([C@@H]1COCCO1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000072430970 191162740 /nfs/dbraw/zinc/16/27/40/191162740.db2.gz AZUHMCIJZIZXDM-HNNXBMFYSA-N 0 0 308.353 0.885 50 0 DCAARN O=C(CO)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccn2)C1 ZINC000072436462 191166310 /nfs/dbraw/zinc/16/63/10/191166310.db2.gz BQMXHFRQCRCPAN-DZGCQCFKSA-N 0 0 317.389 0.456 50 0 DCAARN COCC(=O)N1CCC[C@H](c2nnc(CN3CCCC3)n2C)C1 ZINC000072440586 191167450 /nfs/dbraw/zinc/16/74/50/191167450.db2.gz OIDJBMSUGYLDDH-ZDUSSCGKSA-N 0 0 321.425 0.763 50 0 DCAARN CN(CCCc1cnn(C)c1)C(=O)[C@@H]1NCCc2nc[nH]c21 ZINC000072473179 191175923 /nfs/dbraw/zinc/17/59/23/191175923.db2.gz KXGZZYCHFYXWBH-CQSZACIVSA-N 0 0 302.382 0.421 50 0 DCAARN O=C(CO)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072479498 191178850 /nfs/dbraw/zinc/17/88/50/191178850.db2.gz PKDDCEHVYOBONI-QGZVFWFLSA-N 0 0 317.389 0.805 50 0 DCAARN O=C1NC[C@@H](COc2ccc(OC[C@@H]3CNC(=O)O3)cc2)O1 ZINC000000552810 180819857 /nfs/dbraw/zinc/81/98/57/180819857.db2.gz JXSJXWVGTDQKEF-RYUDHWBXSA-N 0 0 308.290 0.661 50 0 DCAARN Cn1c(Sc2ccc(N)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000543099 180817662 /nfs/dbraw/zinc/81/76/62/180817662.db2.gz BZOGGQXCZDDMPR-UHFFFAOYSA-N 0 0 317.374 0.704 50 0 biogenic DCAARN CC(=O)Nc1nonc1NC(=O)CSC1=NCCS1 ZINC000002601432 180938904 /nfs/dbraw/zinc/93/89/04/180938904.db2.gz JXTZLEFNOQOEEE-UHFFFAOYSA-N 0 0 301.353 0.803 50 0 DCAARN CCn1ncc(NC(=O)c2nn(C)c(C)c2Cl)c1C(N)=O ZINC000002781363 180956407 /nfs/dbraw/zinc/95/64/07/180956407.db2.gz JPYYBTPTCDIGGG-UHFFFAOYSA-N 0 0 310.745 0.950 50 0 DCAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccccn2)cc1 ZINC000003455019 181022601 /nfs/dbraw/zinc/02/26/01/181022601.db2.gz XWCMPGKTVGOYNP-UHFFFAOYSA-N 0 0 305.359 0.702 50 0 DCAARN Cn1c(N)c(C(=O)COc2ccccc2Cl)c(=O)n(C)c1=O ZINC000003563884 181034947 /nfs/dbraw/zinc/03/49/47/181034947.db2.gz CRXIZLFZVMIMSE-UHFFFAOYSA-N 0 0 323.736 0.581 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCCOCC)C1 ZINC000004034958 181065464 /nfs/dbraw/zinc/06/54/64/181065464.db2.gz FYKCCZZRSLROHY-ZDUSSCGKSA-N 0 0 320.455 0.981 50 0 DCAARN O=C(CN1C(=O)CCC1=O)Nc1nnc(-c2cccnc2)o1 ZINC000004107462 181074234 /nfs/dbraw/zinc/07/42/34/181074234.db2.gz FNWQYLGXHQKRJZ-UHFFFAOYSA-N 0 0 301.262 0.219 50 0 DCAARN CCn1c(C)cn2c1nc1c2c(=O)n(CCOC)c(=O)n1C ZINC000004250944 181088629 /nfs/dbraw/zinc/08/86/29/181088629.db2.gz KEYAVKHGSBAMMA-UHFFFAOYSA-N 0 0 305.338 0.124 50 0 DCAARN COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1ccnc(C)n1 ZINC000071908078 291022132 /nfs/dbraw/zinc/02/21/32/291022132.db2.gz RKJKFSZNBYWLNX-LBPRGKRZSA-N 0 0 307.350 0.969 50 0 DCAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)C1=NNC(=O)CC1 ZINC000004349096 181101350 /nfs/dbraw/zinc/10/13/50/181101350.db2.gz QJTBPQZHXXWNNQ-SNVBAGLBSA-N 0 0 315.329 0.773 50 0 DCAARN CCn1c(Oc2cccnc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004386725 181105948 /nfs/dbraw/zinc/10/59/48/181105948.db2.gz NPUKOKUHMQFHQU-UHFFFAOYSA-N 0 0 301.306 0.641 50 0 DCAARN COc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000004504484 181116979 /nfs/dbraw/zinc/11/69/79/181116979.db2.gz DQSOVEJLYXZANX-SNVBAGLBSA-N 0 0 313.375 0.963 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)N[C@H]1CCOc2ccccc21 ZINC000047595149 295894653 /nfs/dbraw/zinc/89/46/53/295894653.db2.gz MIPLVTJPPIPAER-JQWIXIFHSA-N 0 0 310.375 0.997 50 0 DCAARN COc1ccc(Cl)cc1N([C@@H](C)C(N)=O)S(C)(=O)=O ZINC000004867888 181165704 /nfs/dbraw/zinc/16/57/04/181165704.db2.gz QGMRXVHAEKYPOP-ZETCQYMHSA-N 0 0 306.771 0.988 50 0 DCAARN COC(=O)[C@@H](C)Sc1ccnc2c1c(=O)n(C)c(=O)n2C ZINC000004942230 181176191 /nfs/dbraw/zinc/17/61/91/181176191.db2.gz CQIQORCKBRTXGA-SSDOTTSWSA-N 0 0 309.347 0.286 50 0 DCAARN C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1c[nH]cn1 ZINC000004955558 181178871 /nfs/dbraw/zinc/17/88/71/181178871.db2.gz CWQVKLRPBDHTOV-MNOVXSKESA-N 0 0 314.411 0.725 50 0 DCAARN COC(=O)CNC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000004976049 181183257 /nfs/dbraw/zinc/18/32/57/181183257.db2.gz PHGHGAVWIUMULY-LBPRGKRZSA-N 0 0 322.336 0.506 50 0 DCAARN CSCC[C@@](C)(O)CNC(=O)C(=O)NCC(F)(F)F ZINC000075157657 191434630 /nfs/dbraw/zinc/43/46/30/191434630.db2.gz KSPDOMSCJTULSH-SECBINFHSA-N 0 0 302.318 0.285 50 0 DCAARN Cc1nccn1-c1ccc(N2CCN(S(C)(=O)=O)CC2)nn1 ZINC000075163248 191437218 /nfs/dbraw/zinc/43/72/18/191437218.db2.gz OPQKTWFCWDZVOJ-UHFFFAOYSA-N 0 0 322.394 0.052 50 0 DCAARN O=C(C[C@H]1NC(=O)[C@@H]2CCCN2C1=O)OCc1ccccc1 ZINC000004993878 181186593 /nfs/dbraw/zinc/18/65/93/181186593.db2.gz LQYOPYUDQGMXTH-OLZOCXBDSA-N 0 0 302.330 0.609 50 0 biogenic DCAARN O=C([C@H]1CSc2ccccc2O1)N1CCN(CCO)CC1 ZINC000075604851 191498748 /nfs/dbraw/zinc/49/87/48/191498748.db2.gz UGOWQSIHILZFAH-CYBMUJFWSA-N 0 0 308.403 0.676 50 0 DCAARN COc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2nncs2)n1 ZINC000004999477 181188321 /nfs/dbraw/zinc/18/83/21/181188321.db2.gz LEZGLLSBFUHSAQ-YFKPBYRVSA-N 0 0 313.364 0.749 50 0 DCAARN CCN(Cc1cccc2c1OCO2)C(=O)CSCC(N)=O ZINC000078732928 191921373 /nfs/dbraw/zinc/92/13/73/191921373.db2.gz MZOGOBGAOOWIDY-UHFFFAOYSA-N 0 0 310.375 0.982 50 0 DCAARN NC(=O)CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2 ZINC000005264081 181223403 /nfs/dbraw/zinc/22/34/03/181223403.db2.gz JEGNWOMDCLYFMA-UHFFFAOYSA-N 0 0 316.386 0.753 50 0 DCAARN Cc1ccc(-c2nnn(CC(=O)NC[C@H]3CCCO3)n2)cc1 ZINC000005491882 181249165 /nfs/dbraw/zinc/24/91/65/181249165.db2.gz JIYUEEVLLJCOBY-CYBMUJFWSA-N 0 0 301.350 0.944 50 0 DCAARN COC(=O)C[C@@H](NS(C)(=O)=O)c1ccc2c(c1)OCO2 ZINC000005879466 181292458 /nfs/dbraw/zinc/29/24/58/181292458.db2.gz QQPJDMQGOXBYSP-SECBINFHSA-N 0 0 301.320 0.569 50 0 DCAARN COC(=O)[C@H]1C[C@H](O)CN1CCC(=O)Nc1ccccc1F ZINC000180273776 199139737 /nfs/dbraw/zinc/13/97/37/199139737.db2.gz BUGOMMDERMBRIX-GXFFZTMASA-N 0 0 310.325 0.763 50 0 DCAARN CNS(=O)(=O)CCNC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000187880955 200171276 /nfs/dbraw/zinc/17/12/76/200171276.db2.gz CILOFUCTOYBQSW-CYBMUJFWSA-N 0 0 311.407 0.735 50 0 DCAARN Cn1cnc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)n1 ZINC000241701756 202466555 /nfs/dbraw/zinc/46/65/55/202466555.db2.gz QKXKPPGWAQGYRE-UHFFFAOYSA-N 0 0 306.757 0.826 50 0 DCAARN COCCN(Cc1cnc2ccccn12)[C@@H]1CCS(=O)(=O)C1 ZINC000158451477 291231426 /nfs/dbraw/zinc/23/14/26/291231426.db2.gz ZPUNQBOWVLSOOT-CYBMUJFWSA-N 0 0 323.418 0.970 50 0 DCAARN CCCNC(=O)NC(=O)COC(=O)COc1ccc(OC)cc1 ZINC000005994974 181304012 /nfs/dbraw/zinc/30/40/12/181304012.db2.gz NJLYIPXSEMVCTK-UHFFFAOYSA-N 0 0 324.333 0.853 50 0 DCAARN Cc1ccc(C[C@@H](CO)NC(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000191742656 200755639 /nfs/dbraw/zinc/75/56/39/200755639.db2.gz GMDHDDQKQOXTTK-GJZGRUSLSA-N 0 0 319.405 0.866 50 0 DCAARN CC[C@H](NC(=O)[C@H]1CNC(=O)N1)c1ccc2c(c1)OCCO2 ZINC000089947846 192917921 /nfs/dbraw/zinc/91/79/21/192917921.db2.gz MRMSVLDIPOHLFQ-WDEREUQCSA-N 0 0 305.334 0.707 50 0 DCAARN NC(=O)[C@H]1CC[C@@H]1C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000408524450 239273185 /nfs/dbraw/zinc/27/31/85/239273185.db2.gz DEZMOAAHTONHGI-RYUDHWBXSA-N 0 0 307.325 0.183 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C ZINC000006587375 181358060 /nfs/dbraw/zinc/35/80/60/181358060.db2.gz CFATUSFXEFMFOV-QMMMGPOBSA-N 0 0 320.374 0.870 50 0 DCAARN O=C(CCO)N1CCN(c2ncnc3sccc32)C[C@H](O)C1 ZINC000097773019 283787098 /nfs/dbraw/zinc/78/70/98/283787098.db2.gz BYMHJYLDWXUDIC-SNVBAGLBSA-N 0 0 322.390 0.083 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C[C@H](C)O1 ZINC000006746859 181381628 /nfs/dbraw/zinc/38/16/28/181381628.db2.gz HWBZRVAMLBYFMJ-PHIMTYICSA-N 0 0 323.378 0.460 50 0 DCAARN O=C(NCCN1C[C@]2(CCOC2)CCC1=O)c1cccnc1 ZINC000091350702 193045165 /nfs/dbraw/zinc/04/51/65/193045165.db2.gz ZCWVLALYGVFUBU-MRXNPFEDSA-N 0 0 303.362 0.841 50 0 DCAARN Cc1scnc1C(=O)N1CCN(C)[C@]2(C1)CCNC(=O)CC2 ZINC000091350510 193045186 /nfs/dbraw/zinc/04/51/86/193045186.db2.gz IPCKKSLTZAARQY-HNNXBMFYSA-N 0 0 322.434 0.878 50 0 DCAARN COc1cccc2c1OC[C@H](C(=O)NCCN1CCOC1=O)C2 ZINC000091519323 193067931 /nfs/dbraw/zinc/06/79/31/193067931.db2.gz LMVUJCDNWKKLEI-GFCCVEGCSA-N 0 0 320.345 0.815 50 0 DCAARN C[C@@H]1CN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC[C@]1(C)O ZINC000091604142 193078323 /nfs/dbraw/zinc/07/83/23/193078323.db2.gz DBBOREVLLGTYGP-WBMJQRKESA-N 0 0 315.377 0.824 50 0 DCAARN COc1ccnc(N2CCC3(CCC(=O)N(CCO)C3)CC2)n1 ZINC000091746757 193101447 /nfs/dbraw/zinc/10/14/47/193101447.db2.gz VNAGLXDRYPHWKA-UHFFFAOYSA-N 0 0 320.393 0.687 50 0 DCAARN CC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000091645896 193084826 /nfs/dbraw/zinc/08/48/26/193084826.db2.gz SMBPBOBNTHQSCD-CQSZACIVSA-N 0 0 318.377 0.186 50 0 DCAARN Nc1n[nH]c(CNC(=O)c2c[nH]nc2-c2cccc(F)c2)n1 ZINC000091679295 193090202 /nfs/dbraw/zinc/09/02/02/193090202.db2.gz DESCYNAXFNPTFJ-UHFFFAOYSA-N 0 0 301.285 0.846 50 0 DCAARN Cc1c(C(=O)N2CC[C@@]3(C2)CCCN(CCO)C3=O)ccn1C ZINC000091691464 193092678 /nfs/dbraw/zinc/09/26/78/193092678.db2.gz DWCHPWVFKIASOX-QGZVFWFLSA-N 0 0 319.405 0.781 50 0 DCAARN Cc1cnc(C)c(N2CC[C@@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091625359 193080912 /nfs/dbraw/zinc/08/09/12/193080912.db2.gz GDBRTMAXHHLRMZ-MRXNPFEDSA-N 0 0 304.394 0.905 50 0 DCAARN CNc1ncc(C(=O)N2CCC[C@@](CO)(CCOC)C2)cn1 ZINC000091755425 193102304 /nfs/dbraw/zinc/10/23/04/193102304.db2.gz QJMILOMQTSOEIY-OAHLLOKOSA-N 0 0 308.382 0.770 50 0 DCAARN CCCNc1ncc(CN2CCN(C(C)=O)C[C@H](O)C2)cn1 ZINC000091770304 193104609 /nfs/dbraw/zinc/10/46/09/193104609.db2.gz DRTOWZMDIMRTRQ-CQSZACIVSA-N 0 0 307.398 0.324 50 0 DCAARN O=C(CCn1cncn1)NC[C@@H]1CCCN(c2ncccn2)C1 ZINC000091776543 193105800 /nfs/dbraw/zinc/10/58/00/193105800.db2.gz NDDLKCDWVBHCIQ-ZDUSSCGKSA-N 0 0 315.381 0.491 50 0 DCAARN COc1cc2c(cc1-c1cn([C@@H]3CCNC3=O)nn1)OCO2 ZINC000091829251 193113565 /nfs/dbraw/zinc/11/35/65/193113565.db2.gz AENBWOCMUZTBNB-SNVBAGLBSA-N 0 0 302.290 0.743 50 0 DCAARN COc1ccccc1-n1ncnc1CCN(C)S(C)(=O)=O ZINC000091872899 193120956 /nfs/dbraw/zinc/12/09/56/193120956.db2.gz OVZUZDJHTHNBSX-UHFFFAOYSA-N 0 0 310.379 0.710 50 0 DCAARN Cn1cccc1-c1cc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)[nH]n1 ZINC000091877280 193122064 /nfs/dbraw/zinc/12/20/64/193122064.db2.gz NKHPGSGYCVHPPR-SECBINFHSA-N 0 0 306.347 0.456 50 0 DCAARN CCNc1ncc(C(=O)N2CCN(c3ncccn3)CC2)cn1 ZINC000092001457 193139255 /nfs/dbraw/zinc/13/92/55/193139255.db2.gz ZNMMXLQXOLFIOT-UHFFFAOYSA-N 0 0 313.365 0.661 50 0 DCAARN CC[C@H](C(=O)N1CCN(Cc2noc(C)n2)CC1)n1cccn1 ZINC000092001476 193139590 /nfs/dbraw/zinc/13/95/90/193139590.db2.gz TXBFJFIGZWPMAA-CYBMUJFWSA-N 0 0 318.381 0.870 50 0 DCAARN C[N@@H+]1CC[C@H]2CN(C(=O)CCCc3cn[nH]c3)C[C@@]2(C(=O)[O-])C1 ZINC000092002836 193139655 /nfs/dbraw/zinc/13/96/55/193139655.db2.gz DTZUSWCLFLSEAP-BBRMVZONSA-N 0 0 320.393 0.597 50 0 DCAARN C[C@]1(C(=O)N[C@@H]2CCS(=O)(=O)C2)Oc2ccccc2NC1=O ZINC000036358862 291365370 /nfs/dbraw/zinc/36/53/70/291365370.db2.gz IJNKAUBCJRJPMD-YMTOWFKASA-N 0 0 324.358 0.729 50 0 DCAARN O=C(CCn1cnnn1)N1CCC[C@@H](C(=O)c2ccccn2)C1 ZINC000219280765 201552623 /nfs/dbraw/zinc/55/26/23/201552623.db2.gz ZZUIURQPZCDHII-GFCCVEGCSA-N 0 0 314.349 0.580 50 0 DCAARN O=C(NCCc1cnccn1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000219300355 201555326 /nfs/dbraw/zinc/55/53/26/201555326.db2.gz OKEMMLXRSCLBDR-HNNXBMFYSA-N 0 0 323.360 0.606 50 0 DCAARN COCCn1cnnc1[C@H](C)NC(=O)c1sc(N)nc1C ZINC000221252997 201585640 /nfs/dbraw/zinc/58/56/40/201585640.db2.gz ZNMYXQVFBHWPHI-QMMMGPOBSA-N 0 0 310.383 0.763 50 0 DCAARN COC(=O)[C@@H]1C[C@H](NC(=O)c2cccc3c2OCCO3)CN1C ZINC000065456783 284177933 /nfs/dbraw/zinc/17/79/33/284177933.db2.gz LNNJONGKNCUKMO-JQWIXIFHSA-N 0 0 320.345 0.433 50 0 DCAARN COc1cccc2c1OC[C@H](CNC(=O)CCNC(C)=O)C2 ZINC000095379407 193438993 /nfs/dbraw/zinc/43/89/93/193438993.db2.gz KAQYKNIWQHODCJ-LBPRGKRZSA-N 0 0 306.362 0.889 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(N2CCCC2)nc1 ZINC000095993525 193483130 /nfs/dbraw/zinc/48/31/30/193483130.db2.gz OBWQOOCQVQSINX-OLZOCXBDSA-N 0 0 319.361 0.430 50 0 DCAARN CC(C)Cn1cc(N2C[C@@H](C(=O)N3CCOCC3)CC2=O)cn1 ZINC000096192215 193570708 /nfs/dbraw/zinc/57/07/08/193570708.db2.gz FQVIKHGKYDPSNA-ZDUSSCGKSA-N 0 0 320.393 0.751 50 0 DCAARN Cc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@H](C)O)C3)cc1 ZINC000008755442 181583808 /nfs/dbraw/zinc/58/38/08/181583808.db2.gz FXSFMYTXKXGGCT-HZMBPMFUSA-N 0 0 301.346 0.826 50 0 DCAARN CCOc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CCO)C3)cc1 ZINC000008878088 181590190 /nfs/dbraw/zinc/59/01/90/181590190.db2.gz XNJHAUOXVMNALK-CQSZACIVSA-N 0 0 317.345 0.528 50 0 DCAARN COCC(=O)NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000008986952 181594772 /nfs/dbraw/zinc/59/47/72/181594772.db2.gz ANOBAJQYPMSPJG-JTQLQIEISA-N 0 0 306.318 0.531 50 0 DCAARN O=C(NCCO)[C@H]1[C@H]2C(=O)N(c3ccccc3)C[C@@]23C=C[C@@H]1O3 ZINC000009302626 181612016 /nfs/dbraw/zinc/61/20/16/181612016.db2.gz YJHMFMCJDXYIOD-LOUJCGABSA-N 0 0 314.341 0.082 50 0 DCAARN O=C(Cn1cnc2cc(Cl)ccc2c1=O)N1CCOCC1 ZINC000009724602 181638170 /nfs/dbraw/zinc/63/81/70/181638170.db2.gz QLDKBOVKQJWYAU-UHFFFAOYSA-N 0 0 307.737 0.909 50 0 DCAARN CCOCCCNC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000012865886 181804996 /nfs/dbraw/zinc/80/49/96/181804996.db2.gz IEFYFQZRCRBPFZ-UHFFFAOYSA-N 0 0 314.407 0.898 50 0 DCAARN CC(C)CNC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000013137442 181832838 /nfs/dbraw/zinc/83/28/38/181832838.db2.gz LPJVIYZOTADVHY-RYUDHWBXSA-N 0 0 324.377 0.477 50 0 DCAARN NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000014240663 181941487 /nfs/dbraw/zinc/94/14/87/181941487.db2.gz UZZVCKNCIMOMMF-UHFFFAOYSA-N 0 0 314.363 0.392 50 0 DCAARN CCOC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000016092333 182033527 /nfs/dbraw/zinc/03/35/27/182033527.db2.gz LHLPMRSMWPDEBG-UHFFFAOYSA-N 0 0 317.367 0.754 50 0 DCAARN CC(C)(C)C(=O)COC(=O)Cn1nnc2ccccc2c1=O ZINC000016258222 182038390 /nfs/dbraw/zinc/03/83/90/182038390.db2.gz LTOTZYKONNATGZ-UHFFFAOYSA-N 0 0 303.318 0.950 50 0 DCAARN CN(C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000016623557 182054188 /nfs/dbraw/zinc/05/41/88/182054188.db2.gz HIPSGHPLKKYHCL-UHFFFAOYSA-N 0 0 316.354 0.548 50 0 DCAARN CNC(=O)CCc1csc(NC(=O)c2ccc[nH]c2=O)n1 ZINC000016851159 182061861 /nfs/dbraw/zinc/06/18/61/182061861.db2.gz RHHVRRDCCOGNTP-UHFFFAOYSA-N 0 0 306.347 0.762 50 0 DCAARN COc1cccc(Nc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)c1 ZINC000017223892 182080437 /nfs/dbraw/zinc/08/04/37/182080437.db2.gz FHBFNNBSGGDUGZ-UHFFFAOYSA-N 0 0 301.306 0.713 50 0 DCAARN COc1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1OC ZINC000019561097 182130345 /nfs/dbraw/zinc/13/03/45/182130345.db2.gz CMNMPWOQVUXPJD-UHFFFAOYSA-N 0 0 314.407 0.781 50 0 DCAARN O=C(NC[C@H]1COCCO1)[C@H]1CC(=O)N(c2cccc(O)c2)C1 ZINC000019794919 182150312 /nfs/dbraw/zinc/15/03/12/182150312.db2.gz YQRSNYJIMQDTSQ-FZMZJTMJSA-N 0 0 320.345 0.277 50 0 DCAARN C[C@@H]1CCc2c(sc3nc(SCC(N)=O)n(N)c(=O)c32)C1 ZINC000019797108 182151182 /nfs/dbraw/zinc/15/11/82/182151182.db2.gz CUKZBQGYEOXYQD-ZCFIWIBFSA-N 0 0 324.431 0.874 50 0 DCAARN O=C(NCCCN1CCOCC1)C(=O)NCc1ccccc1 ZINC000019831322 182155122 /nfs/dbraw/zinc/15/51/22/182155122.db2.gz VMMHEXGRNMUJFM-UHFFFAOYSA-N 0 0 305.378 0.141 50 0 DCAARN CCOc1ccccc1NC(=O)CN1CCN(CCO)CC1 ZINC000019855074 182157071 /nfs/dbraw/zinc/15/70/71/182157071.db2.gz BYKBSKFUSISOOK-UHFFFAOYSA-N 0 0 307.394 0.634 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccco2)C1 ZINC000020038677 182182934 /nfs/dbraw/zinc/18/29/34/182182934.db2.gz SFRXREMQQXJPDT-LLVKDONJSA-N 0 0 315.395 0.414 50 0 DCAARN COC(=O)[C@H]1Cc2[nH]cnc2CN1C(=O)c1ccc(OC)o1 ZINC000020109918 182187785 /nfs/dbraw/zinc/18/77/85/182187785.db2.gz IKMFUKBECAPUGN-SNVBAGLBSA-N 0 0 305.290 0.751 50 0 DCAARN CCCOC(=O)C1=C(C)N[C@@]2(O)c3ccccc3C(=O)[C@]12O ZINC000020159113 182194202 /nfs/dbraw/zinc/19/42/02/182194202.db2.gz XCMCQTWJJCRMCW-HZPDHXFCSA-N 0 0 303.314 0.590 50 0 DCAARN CC[C@@H](C(=O)N1CCN(C)CC1)n1nnc2ccccc2c1=O ZINC000020412041 182214754 /nfs/dbraw/zinc/21/47/54/182214754.db2.gz GJULKZIQHVIFCO-AWEZNQCLSA-N 0 0 315.377 0.517 50 0 DCAARN Cc1c(S(=O)(=O)N2CCN(C)CC2)cnn1-c1ccccn1 ZINC000078876345 291583370 /nfs/dbraw/zinc/58/33/70/291583370.db2.gz NRRZFIQGZBATLM-UHFFFAOYSA-N 0 0 321.406 0.512 50 0 DCAARN Cc1nc(CNC(=O)Cn2ncc(N(C)C)cc2=O)cs1 ZINC000020451410 182218665 /nfs/dbraw/zinc/21/86/65/182218665.db2.gz NHXMNJGPVMHBBV-UHFFFAOYSA-N 0 0 307.379 0.391 50 0 DCAARN CCN1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 ZINC000020622425 182239385 /nfs/dbraw/zinc/23/93/85/182239385.db2.gz ABYHUVSNEGTDJJ-UHFFFAOYSA-N 0 0 300.362 0.630 50 0 DCAARN COCc1ccc(C(=O)NCCN(C)S(C)(=O)=O)s1 ZINC000097744664 193753286 /nfs/dbraw/zinc/75/32/86/193753286.db2.gz LWGPOOKOOXNFCA-UHFFFAOYSA-N 0 0 306.409 0.516 50 0 DCAARN Cn1c2ncn(CC(=O)C3CCCCC3)c2c(=O)n(C)c1=O ZINC000021395444 182273940 /nfs/dbraw/zinc/27/39/40/182273940.db2.gz UWTDECOJYZKBHV-UHFFFAOYSA-N 0 0 304.350 0.583 50 0 DCAARN C[C@@H](NS(C)(=O)=O)c1nc(C2CCCC2)nn1CCO ZINC000097772964 193756364 /nfs/dbraw/zinc/75/63/64/193756364.db2.gz KLOSUXWQATWTHJ-SECBINFHSA-N 0 0 302.400 0.538 50 0 DCAARN CC(C)(C)NC(=O)CNC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000021558397 182280317 /nfs/dbraw/zinc/28/03/17/182280317.db2.gz PJQPTHMNASWOOX-UHFFFAOYSA-N 0 0 312.391 0.735 50 0 DCAARN CCCNC(=O)Cn1cnc2onc(C(=O)OCC)c2c1=O ZINC000021648501 182282248 /nfs/dbraw/zinc/28/22/48/182282248.db2.gz HFQWOMGCDWRWCL-UHFFFAOYSA-N 0 0 308.294 0.087 50 0 DCAARN O=C(CSc1nc2[nH]cnc2c(=O)[nH]1)NC[C@H]1CCCO1 ZINC000021807789 182292014 /nfs/dbraw/zinc/29/20/14/182292014.db2.gz FHMVWQXOLRWZRI-SSDOTTSWSA-N 0 0 309.351 0.446 50 0 DCAARN Cc1ccc(NC(=O)C[C@H](C(=O)[O-])N2CC[NH2+]CC2)c(C)c1 ZINC000022461863 182322350 /nfs/dbraw/zinc/32/23/50/182322350.db2.gz JRWHLCRBVLSWNE-CQSZACIVSA-N 0 0 305.378 0.990 50 0 DCAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1NC[C@@H]1CCCO1 ZINC000022767721 182334441 /nfs/dbraw/zinc/33/44/41/182334441.db2.gz FXSFABHRPPWWCP-NSHDSACASA-N 0 0 318.377 0.786 50 0 DCAARN Cn1nc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)ccc1=O ZINC000023079882 182346763 /nfs/dbraw/zinc/34/67/63/182346763.db2.gz RGEDOBJHLLVFPC-UHFFFAOYSA-N 0 0 322.271 0.427 50 0 DCAARN COC(=O)c1cn(CC(=O)N2CCNC(=O)C2)c2ccccc12 ZINC000023420293 182360983 /nfs/dbraw/zinc/36/09/83/182360983.db2.gz HOMGQKJXYGEELE-UHFFFAOYSA-N 0 0 315.329 0.386 50 0 DCAARN COC(=O)c1ccoc1Cn1nnn(-c2cccs2)c1=O ZINC000023503089 182362170 /nfs/dbraw/zinc/36/21/70/182362170.db2.gz DWQMPRDCWGFXIG-UHFFFAOYSA-N 0 0 306.303 0.918 50 0 DCAARN O=C1N[C@@]2(CCSC2)C(=O)N1C[C@@H](O)COc1ccccc1 ZINC000024096839 182374896 /nfs/dbraw/zinc/37/48/96/182374896.db2.gz IXUYFPKIRPFBRI-IAQYHMDHSA-N 0 0 322.386 0.854 50 0 DCAARN CC(=O)c1cccc(OC[C@@H](O)CN2C(=O)NC(C)(C)C2=O)c1 ZINC000024087741 182374917 /nfs/dbraw/zinc/37/49/17/182374917.db2.gz AERWWOFIXUPURU-LBPRGKRZSA-N 0 0 320.345 0.959 50 0 DCAARN Cc1ccc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)cn1 ZINC000024131387 182375750 /nfs/dbraw/zinc/37/57/50/182375750.db2.gz MZKSFLOYTANVRC-GFCCVEGCSA-N 0 0 305.334 0.413 50 0 DCAARN Cn1nc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1=O ZINC000024002025 182372420 /nfs/dbraw/zinc/37/24/20/182372420.db2.gz AXXVAYPXIVGTDC-UHFFFAOYSA-N 0 0 312.373 0.738 50 0 DCAARN C[C@H]1CN(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)CCO1 ZINC000024032347 182372940 /nfs/dbraw/zinc/37/29/40/182372940.db2.gz LAZSLQOMJISLSD-NSHDSACASA-N 0 0 312.391 0.749 50 0 DCAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nc3nccc(C)n3n2)C1 ZINC000024602280 182385660 /nfs/dbraw/zinc/38/56/60/182385660.db2.gz IXAFYGOHPYDADG-LLVKDONJSA-N 0 0 317.349 0.848 50 0 DCAARN Cc1ccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cn1 ZINC000024685418 182387634 /nfs/dbraw/zinc/38/76/34/182387634.db2.gz FJPGZSRRMMIKIU-ZDUSSCGKSA-N 0 0 311.407 0.934 50 0 DCAARN CNC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000024714543 182388237 /nfs/dbraw/zinc/38/82/37/182388237.db2.gz BNVIQRIVUKJYLD-MRXNPFEDSA-N 0 0 301.346 0.688 50 0 DCAARN Cc1nnc(COC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)o1 ZINC000024954431 182396199 /nfs/dbraw/zinc/39/61/99/182396199.db2.gz ZOKFTLZTWJWDRG-UHFFFAOYSA-N 0 0 301.258 0.961 50 0 DCAARN CC(=O)Nc1ccc(CNC(=O)CN2CSCC2=O)cc1 ZINC000024977703 182397084 /nfs/dbraw/zinc/39/70/84/182397084.db2.gz XJQAEPOOBQIOEX-UHFFFAOYSA-N 0 0 307.375 0.794 50 0 DCAARN CC(C)[C@H](NC(N)=O)C(=O)NCCc1ccc2c(c1)OCO2 ZINC000026911961 182458681 /nfs/dbraw/zinc/45/86/81/182458681.db2.gz SYFHMYBJIAEVBY-ZDUSSCGKSA-N 0 0 307.350 0.767 50 0 DCAARN O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)N1CCCCC1 ZINC000028325109 182520539 /nfs/dbraw/zinc/52/05/39/182520539.db2.gz OYAUYTYDXFXDFT-LBPRGKRZSA-N 0 0 301.412 0.460 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000029207507 182555982 /nfs/dbraw/zinc/55/59/82/182555982.db2.gz LGYRDWHXSCYSSQ-LBPRGKRZSA-N 0 0 312.391 0.606 50 0 DCAARN O=C(CNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)NC1CC1 ZINC000032103316 182635520 /nfs/dbraw/zinc/63/55/20/182635520.db2.gz HVDAZAHRMZVUEK-JTQLQIEISA-N 0 0 319.336 0.573 50 0 DCAARN CCc1ccc(NC(=O)NCCNC(=O)c2nonc2N)cc1 ZINC000033014416 182688480 /nfs/dbraw/zinc/68/84/80/182688480.db2.gz HEJYRGVFZGZYDP-UHFFFAOYSA-N 0 0 318.337 0.766 50 0 DCAARN Nc1nonc1C(=O)NCCNC(=O)Nc1ccc(F)cc1 ZINC000033014434 182688884 /nfs/dbraw/zinc/68/88/84/182688884.db2.gz LRBMXZWBLGLREU-UHFFFAOYSA-N 0 0 308.273 0.342 50 0 DCAARN COC(=O)c1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000032912484 284559513 /nfs/dbraw/zinc/55/95/13/284559513.db2.gz FJJHHUVYWKTYLN-JQWIXIFHSA-N 0 0 309.343 0.623 50 0 DCAARN C[C@@]1(NC(=O)CN2CCc3ccccc3C2)CCS(=O)(=O)C1 ZINC000036447622 182825707 /nfs/dbraw/zinc/82/57/07/182825707.db2.gz IGTYPUHIJLPSNB-MRXNPFEDSA-N 0 0 322.430 0.738 50 0 DCAARN Cc1ccn(CCNc2c(=O)c(=O)c2NCc2ccncc2)n1 ZINC000101700676 193837015 /nfs/dbraw/zinc/83/70/15/193837015.db2.gz FZJPVEOREORDGE-UHFFFAOYSA-N 0 0 311.345 0.907 50 0 DCAARN COc1cccc(NC(=O)C[C@H]2Cn3ncnc3NC2=O)c1 ZINC000040386476 183059222 /nfs/dbraw/zinc/05/92/22/183059222.db2.gz CWOLKXBHSBPNEC-VIFPVBQESA-N 0 0 301.306 0.884 50 0 DCAARN O=C(Cn1ccccc1=O)NCCc1ccc2c(c1)OCO2 ZINC000040464687 183072084 /nfs/dbraw/zinc/07/20/84/183072084.db2.gz FCMPHMADAUZEGJ-UHFFFAOYSA-N 0 0 300.314 0.936 50 0 DCAARN O=C(Nc1cccnc1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000040475678 183074485 /nfs/dbraw/zinc/07/44/85/183074485.db2.gz IPYMKUBGRLTCEX-UHFFFAOYSA-N 0 0 304.331 0.518 50 0 DCAARN O=C(CN1CCC[C@@H](O)C1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000040477523 183076023 /nfs/dbraw/zinc/07/60/23/183076023.db2.gz BQNKPWHMHHWOFG-OAHLLOKOSA-N 0 0 317.389 0.974 50 0 DCAARN CC(C)c1noc([C@H](C)N2CCN(S(C)(=O)=O)CC2)n1 ZINC000040496528 183081289 /nfs/dbraw/zinc/08/12/89/183081289.db2.gz ZEVSWZIPEHKVDQ-JTQLQIEISA-N 0 0 302.400 0.831 50 0 DCAARN C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000040497584 183082022 /nfs/dbraw/zinc/08/20/22/183082022.db2.gz GEZNDRJOOOVZNU-LLVKDONJSA-N 0 0 323.418 0.880 50 0 DCAARN O=S(=O)(NCCCn1cncn1)c1ccc2c(c1)OCCO2 ZINC000040515913 183089555 /nfs/dbraw/zinc/08/95/55/183089555.db2.gz KXGCCUUQGAAORS-UHFFFAOYSA-N 0 0 324.362 0.418 50 0 DCAARN O=C(CCNC(=O)C1CCCC1)NCC(=O)N1CCCCC1 ZINC000040540943 183097690 /nfs/dbraw/zinc/09/76/90/183097690.db2.gz BTPCBRCIADNLRD-UHFFFAOYSA-N 0 0 309.410 0.812 50 0 DCAARN COc1ccc([C@@H](C)NC(=O)CN(C)S(C)(=O)=O)cc1 ZINC000022606714 295205788 /nfs/dbraw/zinc/20/57/88/295205788.db2.gz AXMFHGHFUVTGHT-SNVBAGLBSA-N 0 0 300.380 0.764 50 0 DCAARN Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H]1CCOC1 ZINC000041373763 183187347 /nfs/dbraw/zinc/18/73/47/183187347.db2.gz PKWQHUOSQIVSJK-GFCCVEGCSA-N 0 0 303.366 0.826 50 0 DCAARN O=C(Cc1csc(N2CCCC2=O)n1)NC[C@@H]1CCOC1 ZINC000041372554 183187558 /nfs/dbraw/zinc/18/75/58/183187558.db2.gz OOJZISQVJZUYQS-JTQLQIEISA-N 0 0 309.391 0.965 50 0 DCAARN O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCN(Cc2ccco2)CC1 ZINC000041843169 183222355 /nfs/dbraw/zinc/22/23/55/183222355.db2.gz OIVQHALBOVYDTE-CYBMUJFWSA-N 0 0 317.389 0.935 50 0 DCAARN C[C@H]1CN(CCNS(=O)(=O)N2CCCCCC2)C[C@H](C)O1 ZINC000041892520 183223672 /nfs/dbraw/zinc/22/36/72/183223672.db2.gz JERHQYPGHPSRQN-KBPBESRZSA-N 0 0 319.471 0.806 50 0 DCAARN CC(=O)N1CCC(NC(=O)Cc2c(C)nc(C)[nH]c2=O)CC1 ZINC000042358780 183258087 /nfs/dbraw/zinc/25/80/87/183258087.db2.gz CRSSJDMBWMZRHH-UHFFFAOYSA-N 0 0 306.366 0.056 50 0 DCAARN CC(C)CO[C@@H](C)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000042723718 183301984 /nfs/dbraw/zinc/30/19/84/183301984.db2.gz MTHLTUDIHIJSAJ-QWHCGFSZSA-N 0 0 320.455 0.978 50 0 DCAARN CC(=O)N(C)CC(=O)N1CCN(Cc2csc(C)n2)CC1 ZINC000042749483 183304194 /nfs/dbraw/zinc/30/41/94/183304194.db2.gz LOICLJDYMGNLHA-UHFFFAOYSA-N 0 0 310.423 0.574 50 0 DCAARN Cc1nn(C)c(C)c1CC(=O)N(C)Cc1nnc2n1CCC2 ZINC000042749722 183304196 /nfs/dbraw/zinc/30/41/96/183304196.db2.gz JADHLNKDXLCZGF-UHFFFAOYSA-N 0 0 302.382 0.776 50 0 DCAARN NS(=O)(=O)c1ccc(CCNC(=O)NCc2ccoc2)cc1 ZINC000042946314 183319891 /nfs/dbraw/zinc/31/98/91/183319891.db2.gz JAEWGMQXLLIAQO-UHFFFAOYSA-N 0 0 323.374 0.969 50 0 DCAARN CC(C)CO[C@H](C)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000042773252 183307030 /nfs/dbraw/zinc/30/70/30/183307030.db2.gz VOZDGTQKKMHCGZ-VXGBXAGGSA-N 0 0 306.428 0.588 50 0 DCAARN CC(C)CO[C@H](C)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000042773244 183307189 /nfs/dbraw/zinc/30/71/89/183307189.db2.gz VOZDGTQKKMHCGZ-NEPJUHHUSA-N 0 0 306.428 0.588 50 0 DCAARN O=C(NCc1ccc2c(c1)OCCO2)N[C@H]1CCCCNC1=O ZINC000043162819 183342293 /nfs/dbraw/zinc/34/22/93/183342293.db2.gz QKSWQCZWHNEJCE-LBPRGKRZSA-N 0 0 319.361 0.926 50 0 DCAARN COc1cc(OC)cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000044456476 183411045 /nfs/dbraw/zinc/41/10/45/183411045.db2.gz LXOSPFRYMYMXJM-JTQLQIEISA-N 0 0 313.375 0.868 50 0 DCAARN CC(=O)N1CCC(NC(=O)c2ccccc2-n2cnnn2)CC1 ZINC000044907287 183453594 /nfs/dbraw/zinc/45/35/94/183453594.db2.gz QEVZCSGJWVUXLZ-UHFFFAOYSA-N 0 0 314.349 0.403 50 0 DCAARN C[C@@H]1CN(C(=O)CS(=O)(=O)c2ccc(F)c(F)c2)CCO1 ZINC000044948317 183464486 /nfs/dbraw/zinc/46/44/86/183464486.db2.gz OGIONFORUPFBGG-SECBINFHSA-N 0 0 319.329 0.986 50 0 DCAARN CC(C)Oc1ncccc1CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000044952776 183465852 /nfs/dbraw/zinc/46/58/52/183465852.db2.gz MUJAVLCCLZBDJC-LBPRGKRZSA-N 0 0 312.391 0.920 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)N[C@H]2CCc3ccccc32)CC1 ZINC000045305861 183496652 /nfs/dbraw/zinc/49/66/52/183496652.db2.gz JAZFGZNMCWEPRA-AWEZNQCLSA-N 0 0 323.418 0.961 50 0 DCAARN Cc1noc(C)c1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000045319254 183497178 /nfs/dbraw/zinc/49/71/78/183497178.db2.gz JSSMCHFHIWHKKD-UHFFFAOYSA-N 0 0 301.368 0.399 50 0 DCAARN CN(C)S(=O)(=O)CCCn1nc(C(C)(C)C)ccc1=O ZINC000105395112 194102245 /nfs/dbraw/zinc/10/22/45/194102245.db2.gz YLRSRDABCCZYAA-UHFFFAOYSA-N 0 0 301.412 0.822 50 0 DCAARN CC(=O)NCCNC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000048264087 183634398 /nfs/dbraw/zinc/63/43/98/183634398.db2.gz GNKAQBVBKDZDOK-UHFFFAOYSA-N 0 0 301.350 0.808 50 0 DCAARN NC(=O)CCS(=O)(=O)Cc1csc(-c2ncccn2)n1 ZINC000048643217 183673053 /nfs/dbraw/zinc/67/30/53/183673053.db2.gz HDVKDFYZSDNSKK-UHFFFAOYSA-N 0 0 312.376 0.390 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)c2cc3ccccc3oc2=O)CCO1 ZINC000050858752 183806901 /nfs/dbraw/zinc/80/69/01/183806901.db2.gz NRERYLQDWOAUNC-LBPRGKRZSA-N 0 0 302.286 0.119 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N(C)Cc2cccnc2)n(C)c1 ZINC000053461369 183903423 /nfs/dbraw/zinc/90/34/23/183903423.db2.gz FHEULSRIXZYCFT-UHFFFAOYSA-N 0 0 322.390 0.600 50 0 DCAARN CCS(=O)(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000110682521 194349621 /nfs/dbraw/zinc/34/96/21/194349621.db2.gz WYXJSGJXAGVNOJ-CABCVRRESA-N 0 0 310.419 0.921 50 0 DCAARN CCCN(CCC)S(=O)(=O)NCC1(C(N)=O)CCOCC1 ZINC000055246040 183974355 /nfs/dbraw/zinc/97/43/55/183974355.db2.gz SDILEXWDJWRLJP-UHFFFAOYSA-N 0 0 321.443 0.225 50 0 DCAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCNC(=O)C1 ZINC000057676597 184045888 /nfs/dbraw/zinc/04/58/88/184045888.db2.gz KSDMVGWGADQYDO-UHFFFAOYSA-N 0 0 316.766 0.072 50 0 DCAARN O=C(CCNC(=O)c1ccc(Cl)cc1)N[C@@H]1CCCNC1=O ZINC000058218909 184089773 /nfs/dbraw/zinc/08/97/73/184089773.db2.gz XZQLNPFPFUGGGI-GFCCVEGCSA-N 0 0 323.780 0.855 50 0 DCAARN C[C@H]1CCC[C@@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)C1 ZINC000058344307 184107463 /nfs/dbraw/zinc/10/74/63/184107463.db2.gz QBBIVCOBDOIPGK-WDEREUQCSA-N 0 0 314.411 0.616 50 0 DCAARN O=C(c1ccc2c(c1)OCO2)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000058365443 184109452 /nfs/dbraw/zinc/10/94/52/184109452.db2.gz IYGWXQJZDQKDJD-SNVBAGLBSA-N 0 0 302.286 0.435 50 0 DCAARN COCCN(CC(F)F)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000058266044 184096314 /nfs/dbraw/zinc/09/63/14/184096314.db2.gz OWZNPQADDBIQIH-UHFFFAOYSA-N 0 0 322.333 0.688 50 0 DCAARN CN(C)C(=O)CN(C)S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000058267202 184097342 /nfs/dbraw/zinc/09/73/42/184097342.db2.gz ILJKVEGUMQCTFL-UHFFFAOYSA-N 0 0 322.390 0.581 50 0 DCAARN CCCNC(=O)[C@@H](C)NC(=O)CNC(=O)OCc1ccccc1 ZINC000058280549 184098805 /nfs/dbraw/zinc/09/88/05/184098805.db2.gz HGFSPCAESJDVNK-GFCCVEGCSA-N 0 0 321.377 0.944 50 0 DCAARN CN(C)C(=O)[C@@H]1CCCN(c2nnnn2-c2ccccc2)C1 ZINC000058296171 184102031 /nfs/dbraw/zinc/10/20/31/184102031.db2.gz JXYZNCAYDQUFNH-GFCCVEGCSA-N 0 0 300.366 0.967 50 0 DCAARN Cc1cc(C(=O)NCC(=O)OCC2CC2)ccc1-n1cnnn1 ZINC000058305208 184103396 /nfs/dbraw/zinc/10/33/96/184103396.db2.gz VMIQACWWJSJXAI-UHFFFAOYSA-N 0 0 315.333 0.654 50 0 DCAARN CN1CCO[C@@H](CNC(=O)COCCOc2ccccc2)C1 ZINC000058314710 184104056 /nfs/dbraw/zinc/10/40/56/184104056.db2.gz ZXHIEQQBCVLIEL-HNNXBMFYSA-N 0 0 308.378 0.529 50 0 DCAARN OCCn1nccc1C1CCN(Cc2nnnn2C2CC2)CC1 ZINC000058315705 184104995 /nfs/dbraw/zinc/10/49/95/184104995.db2.gz QBIRONNCSFZNRG-UHFFFAOYSA-N 0 0 317.397 0.576 50 0 DCAARN CNC(=O)CCNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000058406361 184114118 /nfs/dbraw/zinc/11/41/18/184114118.db2.gz JYMYPMFZMVNSGA-UHFFFAOYSA-N 0 0 318.782 0.609 50 0 DCAARN COc1ccc(C(=O)CCC(=O)NCCS(C)(=O)=O)cc1 ZINC000061405555 184170497 /nfs/dbraw/zinc/17/04/97/184170497.db2.gz POAJIMNHOBXZMY-UHFFFAOYSA-N 0 0 313.375 0.819 50 0 DCAARN C[C@@H](C(=O)Nc1nncs1)n1nnc2ccccc2c1=O ZINC000061717557 184184851 /nfs/dbraw/zinc/18/48/51/184184851.db2.gz BFJPIRRJFWQGPX-ZETCQYMHSA-N 0 0 302.319 0.843 50 0 DCAARN CN(C)C(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000062589888 184244171 /nfs/dbraw/zinc/24/41/71/184244171.db2.gz VKBGSVBPVSIVBE-UHFFFAOYSA-N 0 0 303.311 0.474 50 0 DCAARN Cc1nc2c(NC(=O)[C@@H](C)CN3CCOCC3)cccn2n1 ZINC000065284101 184321375 /nfs/dbraw/zinc/32/13/75/184321375.db2.gz UEOSINVVUJJWHF-NSHDSACASA-N 0 0 303.366 0.945 50 0 DCAARN CN(CC1(CO)CCOCC1)c1cc(NC2CC2)nc(N)n1 ZINC000065409920 184339997 /nfs/dbraw/zinc/33/99/97/184339997.db2.gz XUTYTBMXADFMPM-UHFFFAOYSA-N 0 0 307.398 0.858 50 0 DCAARN Cc1nc(CC(=O)N2CCN(CCn3cncn3)CC2)cs1 ZINC000065418627 184341515 /nfs/dbraw/zinc/34/15/15/184341515.db2.gz SRWLARODUCWNFD-UHFFFAOYSA-N 0 0 320.422 0.430 50 0 DCAARN C[C@H](Cn1ccnc1)NC(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000065449752 184346358 /nfs/dbraw/zinc/34/63/58/184346358.db2.gz BKPOEHPOAYNSKS-OLZOCXBDSA-N 0 0 317.397 0.989 50 0 DCAARN NS(=O)(=O)Cc1ccc(CNC(=O)Nc2cn[nH]c2)cc1 ZINC000065453958 184346552 /nfs/dbraw/zinc/34/65/52/184346552.db2.gz YZPYGDTUWIRFKW-UHFFFAOYSA-N 0 0 309.351 0.520 50 0 DCAARN Cc1csc([C@@H]2CN(CCCNS(C)(=O)=O)CCO2)n1 ZINC000065463056 184349822 /nfs/dbraw/zinc/34/98/22/184349822.db2.gz IAIIJSBHCBCNLD-NSHDSACASA-N 0 0 319.452 0.764 50 0 DCAARN Cc1nc2c(c(=O)n1C)CCN(C(=O)Cn1cccc1)CC2 ZINC000065397962 184335779 /nfs/dbraw/zinc/33/57/79/184335779.db2.gz YRVFERDGOQCZAW-UHFFFAOYSA-N 0 0 300.362 0.518 50 0 DCAARN O=C(NCc1ccc(F)c(Cn2ccnc2)c1)[C@H]1CCC(=O)N1 ZINC000065401434 184336793 /nfs/dbraw/zinc/33/67/93/184336793.db2.gz FYVHDAMZCUVJSK-CQSZACIVSA-N 0 0 316.336 0.965 50 0 DCAARN Cc1noc(C)c1CN1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000065401535 184337408 /nfs/dbraw/zinc/33/74/08/184337408.db2.gz ZRYRQJVZYCYZRN-UHFFFAOYSA-N 0 0 317.349 0.333 50 0 DCAARN CCCc1cc(C(=O)NCCN2CCCS2(=O)=O)[nH]n1 ZINC000065405175 184338009 /nfs/dbraw/zinc/33/80/09/184338009.db2.gz YCTOZXGAIXKNCN-UHFFFAOYSA-N 0 0 300.384 0.128 50 0 DCAARN O=C(CN1CCCNC1=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000065529424 184360359 /nfs/dbraw/zinc/36/03/59/184360359.db2.gz HRTRHRNWUXCYOY-UHFFFAOYSA-N 0 0 318.255 0.748 50 0 DCAARN CCn1ccnc1CN1CCN(CC(=O)N2CCCC2)CC1 ZINC000065610800 184373062 /nfs/dbraw/zinc/37/30/62/184373062.db2.gz AQYRHFORSFEXRW-UHFFFAOYSA-N 0 0 305.426 0.643 50 0 DCAARN CS(=O)(=O)N1CCC(CNC(=O)Nc2ccncc2)CC1 ZINC000065539791 184363123 /nfs/dbraw/zinc/36/31/23/184363123.db2.gz WWHYSMPPQAHTGN-UHFFFAOYSA-N 0 0 312.395 0.875 50 0 DCAARN Cc1nn(C)c(Cl)c1Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000065548374 184364482 /nfs/dbraw/zinc/36/44/82/184364482.db2.gz NUVWUYQCBFYWLV-UHFFFAOYSA-N 0 0 322.756 0.177 50 0 DCAARN COc1ccccc1[C@@H](CNC(=O)C1=NNC(=O)CC1)N(C)C ZINC000065608292 184372016 /nfs/dbraw/zinc/37/20/16/184372016.db2.gz HWLBHUCVUFVYQI-CYBMUJFWSA-N 0 0 318.377 0.680 50 0 DCAARN CCCOC(=O)CNC(=O)c1c(Br)nn(C)c1N ZINC000065494614 184354753 /nfs/dbraw/zinc/35/47/53/184354753.db2.gz BCRLJDWDCXWVCR-UHFFFAOYSA-N 0 0 319.159 0.448 50 0 DCAARN CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)[C@H]1CCCCO1)CC2 ZINC000065504106 184356007 /nfs/dbraw/zinc/35/60/07/184356007.db2.gz QCQFGKPRKYVASO-CYBMUJFWSA-N 0 0 320.393 0.332 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](NC(=O)Cc2sc(C)nc2C)CN1C ZINC000065505332 184356110 /nfs/dbraw/zinc/35/61/10/184356110.db2.gz ANRARICITSRDLO-MNOVXSKESA-N 0 0 311.407 0.664 50 0 DCAARN O=C(CN1CCC[C@H]1c1cccc(F)c1)N1CCNC(=O)C1 ZINC000065520130 184358593 /nfs/dbraw/zinc/35/85/93/184358593.db2.gz VZUONVOHXJTNGO-AWEZNQCLSA-N 0 0 305.353 0.921 50 0 DCAARN CCOc1ncccc1CNC(=O)C1CCN(C(N)=O)CC1 ZINC000065621260 184374685 /nfs/dbraw/zinc/37/46/85/184374685.db2.gz QFVUGUSCCJCOHK-UHFFFAOYSA-N 0 0 306.366 0.887 50 0 DCAARN CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)CNC(=O)c1ccccc1 ZINC000067833621 184487221 /nfs/dbraw/zinc/48/72/21/184487221.db2.gz PHNGXTJTMKCYGZ-KGLIPLIRSA-N 0 0 315.373 0.638 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1cc(F)ccc1C ZINC000067884740 184489709 /nfs/dbraw/zinc/48/97/09/184489709.db2.gz BOAWMROHJNKAOG-ZDUSSCGKSA-N 0 0 322.336 0.567 50 0 DCAARN Cc1cnn([C@@H]2CCCN(C(=O)CCNS(C)(=O)=O)C2)c1 ZINC000069454639 184516146 /nfs/dbraw/zinc/51/61/46/184516146.db2.gz ZAZOJOCNTPNOJO-GFCCVEGCSA-N 0 0 314.411 0.294 50 0 DCAARN CSc1ncccc1C(=O)N1CCN(c2nc[nH]n2)CC1 ZINC000299790507 533083681 /nfs/dbraw/zinc/08/36/81/533083681.db2.gz BMZJGOZHMAIEIX-UHFFFAOYSA-N 0 0 304.379 0.884 50 0 DCAARN COc1c[nH]c(C(=O)N2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)cc1=O ZINC000299767768 533104918 /nfs/dbraw/zinc/10/49/18/533104918.db2.gz NZUNMLQCLZBLSB-FUEDEBDSSA-N 0 0 322.361 0.940 50 0 DCAARN Cn1cc([C@H]2C[S@](=O)CCN2C(=O)c2cc(F)c[nH]2)cn1 ZINC000349619126 254288946 /nfs/dbraw/zinc/28/89/46/254288946.db2.gz XQPILZRBVIGJER-XUSGNXJCSA-N 0 0 310.354 0.833 50 0 DCAARN Cc1nnnn1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000154612019 196978974 /nfs/dbraw/zinc/97/89/74/196978974.db2.gz UASSEIOVONLTHX-UHFFFAOYSA-N 0 0 301.289 0.680 50 0 DCAARN CN1C(=O)CO[C@H](C(=O)NC[C@H]2CCCO2)[C@H]1c1ccccc1 ZINC000252505035 256611968 /nfs/dbraw/zinc/61/19/68/256611968.db2.gz IKDIPZDDUGZAIS-BMFZPTHFSA-N 0 0 318.373 0.880 50 0 DCAARN COc1c[nH]c(C(=O)NCCc2nnc3ccccn32)cc1=O ZINC000524734669 257213722 /nfs/dbraw/zinc/21/37/22/257213722.db2.gz ARCSFSOSRJIZFS-UHFFFAOYSA-N 0 0 313.317 0.399 50 0 DCAARN FC(F)(F)c1nnc2n1CCN(c1ccc3nnnn3n1)C2 ZINC000524733104 257213906 /nfs/dbraw/zinc/21/39/06/257213906.db2.gz UUTISFSVJSHDOI-UHFFFAOYSA-N 0 0 311.231 0.150 50 0 DCAARN CN1CCN(C(=O)CC2(Cn3cnnn3)CCCCC2)CC1 ZINC000524733201 257214168 /nfs/dbraw/zinc/21/41/68/257214168.db2.gz FEQZRYVQSPVOBV-UHFFFAOYSA-N 0 0 306.414 0.788 50 0 DCAARN COC(=O)C1(CNC(=O)[C@@H]2COc3ccc(O)cc3O2)CC1 ZINC000521396366 257240591 /nfs/dbraw/zinc/24/05/91/257240591.db2.gz QVWDOZVDEBHBJD-LBPRGKRZSA-N 0 0 307.302 0.601 50 0 DCAARN COCCCn1cnnc1CNC(=O)N1CCC[C@@H](CO)C1 ZINC000426746034 257243579 /nfs/dbraw/zinc/24/35/79/257243579.db2.gz AYDAOXXTKHROTQ-GFCCVEGCSA-N 0 0 311.386 0.229 50 0 DCAARN O=C(Cn1ccnn1)NCc1ccccc1CN1CCCC1=O ZINC000426690209 257244058 /nfs/dbraw/zinc/24/40/58/257244058.db2.gz BDZAELSJEZQLOR-UHFFFAOYSA-N 0 0 313.361 0.717 50 0 DCAARN CC(=O)N1CCN(C(=O)NCc2cc(F)ccc2C)C[C@@H](O)C1 ZINC000426678099 257244102 /nfs/dbraw/zinc/24/41/02/257244102.db2.gz LODVGAXVZZPPRM-HNNXBMFYSA-N 0 0 323.368 0.869 50 0 DCAARN Cc1ccc2[nH]c([C@H](C)NC(=O)N(CCO)CCO)nc2c1 ZINC000426628716 257244835 /nfs/dbraw/zinc/24/48/35/257244835.db2.gz FBEURMJUKOPANJ-NSHDSACASA-N 0 0 306.366 0.929 50 0 DCAARN COCCN(Cc1cnn(C)c1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000426589763 257246093 /nfs/dbraw/zinc/24/60/93/257246093.db2.gz LFESDGKHOYQDCK-CYBMUJFWSA-N 0 0 323.397 0.199 50 0 DCAARN C[N@@H+]1C[C@@H](NC(=O)CN2Cc3ccccc3C2)C[C@H]1C(=O)[O-] ZINC000426581068 257246110 /nfs/dbraw/zinc/24/61/10/257246110.db2.gz ZAWUNTHUFBKJBP-KBPBESRZSA-N 0 0 303.362 0.276 50 0 DCAARN CCO[C@H](CC)CNC(=O)c1cnc2c(O)cccn2c1=O ZINC000426582913 257246335 /nfs/dbraw/zinc/24/63/35/257246335.db2.gz WEKXJIWJDCXQRJ-SNVBAGLBSA-N 0 0 305.334 0.945 50 0 DCAARN Cc1nccn1[C@H](C)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000426555714 257247092 /nfs/dbraw/zinc/24/70/92/257247092.db2.gz ZJDGLPGKXKHWFC-LLVKDONJSA-N 0 0 314.411 0.246 50 0 DCAARN Cc1nc([C@H]2CCCN(C(=O)CCc3nncn3C)C2)no1 ZINC000426526530 257247985 /nfs/dbraw/zinc/24/79/85/257247985.db2.gz WUQAFSZXGRZJKG-NSHDSACASA-N 0 0 304.354 0.845 50 0 DCAARN O=C([O-])CNC(=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000426485592 257249233 /nfs/dbraw/zinc/24/92/33/257249233.db2.gz KHEKCAWWCGONPJ-HNNXBMFYSA-N 0 0 317.389 0.956 50 0 DCAARN O=C(NCc1nnn[n-]1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426361876 257253012 /nfs/dbraw/zinc/25/30/12/257253012.db2.gz CKKRLUCYHAFXRL-GFCCVEGCSA-N 0 0 301.354 0.273 50 0 DCAARN COc1ccc(CNC(=O)N2CCN(C)[C@H](CCO)C2)cc1 ZINC000426369453 257253405 /nfs/dbraw/zinc/25/34/05/257253405.db2.gz WZJXWHHLLMWKAO-CQSZACIVSA-N 0 0 307.394 0.903 50 0 DCAARN COc1cccc(CN2CCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000028974334 257269454 /nfs/dbraw/zinc/26/94/54/257269454.db2.gz RDGHBEYZPODKPR-UHFFFAOYSA-N 0 0 313.423 0.619 50 0 DCAARN CS(=O)(=O)CCCNC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000071821889 184853691 /nfs/dbraw/zinc/85/36/91/184853691.db2.gz FQMJTLAZRCUKQM-UHFFFAOYSA-N 0 0 308.359 0.693 50 0 DCAARN Cc1nc(CC(=O)N2CCC(NS(C)(=O)=O)CC2)cs1 ZINC000074017690 184950827 /nfs/dbraw/zinc/95/08/27/184950827.db2.gz LILAAXSOPFIYCS-UHFFFAOYSA-N 0 0 317.436 0.534 50 0 DCAARN COCCOCCC(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000071911395 184901966 /nfs/dbraw/zinc/90/19/66/184901966.db2.gz NTTXBOXDLSILRP-UHFFFAOYSA-N 0 0 302.371 0.775 50 0 DCAARN Cn1cc(N2CCN(Cc3c[nH]c4nccnc34)CC2=O)cn1 ZINC000283891965 131031710 /nfs/dbraw/zinc/03/17/10/131031710.db2.gz FZERHWKCCXEKPA-UHFFFAOYSA-N 0 0 311.349 0.540 50 0 DCAARN CC(C)n1cc([C@@]2(O)CCN(Cc3nc(N(C)C)no3)C2)nn1 ZINC000285049513 131133990 /nfs/dbraw/zinc/13/39/90/131133990.db2.gz WNUNEBILQWAPBV-CQSZACIVSA-N 0 0 321.385 0.402 50 0 DCAARN O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1CCC(=O)NC1 ZINC000048757454 134754184 /nfs/dbraw/zinc/75/41/84/134754184.db2.gz ZOSFBBCIXGNOAM-ZDUSSCGKSA-N 0 0 318.377 0.061 50 0 DCAARN O=S1(=O)CC[C@H](Nc2ncc(F)c(N3CCOCC3)n2)C1 ZINC000065394821 134823621 /nfs/dbraw/zinc/82/36/21/134823621.db2.gz LRIXPLRLUHWJQC-VIFPVBQESA-N 0 0 316.358 0.051 50 0 DCAARN C[C@@H](Cn1ccnc1)NC(=O)CN1C(=O)COc2ccccc21 ZINC000065400266 134823883 /nfs/dbraw/zinc/82/38/83/134823883.db2.gz RAWLFDHQVBVZOT-LBPRGKRZSA-N 0 0 314.345 0.813 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000008169492 395684230 /nfs/dbraw/zinc/68/42/30/395684230.db2.gz IHMHCHSGQIHABS-UHFFFAOYSA-N 0 0 301.343 0.935 50 0 DCAARN Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)NC[C@H](O)CO ZINC000008764980 395684849 /nfs/dbraw/zinc/68/48/49/395684849.db2.gz RQTLWWXXFXUQSF-NSHDSACASA-N 0 0 321.329 0.209 50 0 biogenic DCAARN CS(=O)(=O)NC[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000009038121 395685180 /nfs/dbraw/zinc/68/51/80/395685180.db2.gz ZLDPIZNHRKOVPQ-LLVKDONJSA-N 0 0 300.355 0.723 50 0 DCAARN CN(C)S(=O)(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000009037673 395685219 /nfs/dbraw/zinc/68/52/19/395685219.db2.gz MKQGETVZXXYFFN-ZDUSSCGKSA-N 0 0 311.407 0.431 50 0 DCAARN COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)NCCO ZINC000009418787 395685265 /nfs/dbraw/zinc/68/52/65/395685265.db2.gz KYOHCEBVNYDNFK-UHFFFAOYSA-N 0 0 300.336 0.199 50 0 DCAARN COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccnc1 ZINC000009603735 395685490 /nfs/dbraw/zinc/68/54/90/395685490.db2.gz AOHYWOKJHNHJCN-UHFFFAOYSA-N 0 0 307.331 0.990 50 0 DCAARN O=C(COC(=O)c1ccccc1O)NC(=O)NCC(F)(F)F ZINC000009737749 395685579 /nfs/dbraw/zinc/68/55/79/395685579.db2.gz CDKXIXUWHQVFMO-UHFFFAOYSA-N 0 0 320.223 0.937 50 0 DCAARN CC[C@H](CO)NC(=O)C(=O)Nc1c2ccccc2oc1C(N)=O ZINC000010254181 395685988 /nfs/dbraw/zinc/68/59/88/395685988.db2.gz DQSMEKSWRNQDHF-MRVPVSSYSA-N 0 0 319.317 0.357 50 0 DCAARN CN(C)S(=O)(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000011814194 395686788 /nfs/dbraw/zinc/68/67/88/395686788.db2.gz QUGLWSPSHVJEFP-ZDUSSCGKSA-N 0 0 311.407 0.226 50 0 DCAARN COC(=O)CCCNC(=O)c1cc(Cn2nc(C)cc2C)n[nH]1 ZINC000011936095 395686945 /nfs/dbraw/zinc/68/69/45/395686945.db2.gz JZYXWXYNEHGUKS-UHFFFAOYSA-N 0 0 319.365 0.954 50 0 DCAARN CNC(=O)C1CCN(Cc2nnnn2Cc2ccccc2)CC1 ZINC000012334747 395687470 /nfs/dbraw/zinc/68/74/70/395687470.db2.gz AATKXSWCCPMSDJ-UHFFFAOYSA-N 0 0 314.393 0.679 50 0 DCAARN O=C(Cn1cnnn1)Nc1cccc(Cl)c1N1CCOCC1 ZINC000012543522 395687683 /nfs/dbraw/zinc/68/76/83/395687683.db2.gz NXHVDKMSFKFESI-UHFFFAOYSA-N 0 0 322.756 0.802 50 0 DCAARN CCCCCCn1c(NCCO)nc2c1c(=O)[nH]c(=O)n2C ZINC000012532000 395687778 /nfs/dbraw/zinc/68/77/78/395687778.db2.gz XMWNFGSHXNPCMP-UHFFFAOYSA-N 0 0 309.370 0.408 50 0 DCAARN COC(=O)[C@@H]1[C@H](c2cccnc2)[C@H](C(=O)OC)C(=O)C[C@]1(C)O ZINC000012660827 395687848 /nfs/dbraw/zinc/68/78/48/395687848.db2.gz AIIYGGXNHFQOGB-FOCJUVANSA-N 0 0 321.329 0.467 50 0 biogenic DCAARN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1 ZINC000012935176 395688266 /nfs/dbraw/zinc/68/82/66/395688266.db2.gz BAFKSKVFLCVLNC-CQSZACIVSA-N 0 0 310.419 0.812 50 0 DCAARN CC[C@@H](Oc1ccccc1)C(=O)OCc1nc(N)nc(N)n1 ZINC000012984088 395688277 /nfs/dbraw/zinc/68/82/77/395688277.db2.gz DEXFXFJWGLQKPJ-SNVBAGLBSA-N 0 0 303.322 0.937 50 0 DCAARN COc1ccc(NC(=O)NCCCNS(C)(=O)=O)cc1 ZINC000012985457 395688363 /nfs/dbraw/zinc/68/83/63/395688363.db2.gz QHFLCJUCMVPSHK-UHFFFAOYSA-N 0 0 301.368 0.756 50 0 DCAARN COc1c(C)cccc1C(=O)NCCNC(=O)c1cnccn1 ZINC000013568299 395688638 /nfs/dbraw/zinc/68/86/38/395688638.db2.gz HVFMVEOEVTTYTC-UHFFFAOYSA-N 0 0 314.345 0.953 50 0 DCAARN C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NC1CC1 ZINC000013552465 395688685 /nfs/dbraw/zinc/68/86/85/395688685.db2.gz PMDVWHBPVOHNTM-SECBINFHSA-N 0 0 314.345 0.661 50 0 DCAARN C[C@@H]1CN(C(=O)CSc2ncnc3c2nnn3C)C[C@H](C)O1 ZINC000013531923 395688725 /nfs/dbraw/zinc/68/87/25/395688725.db2.gz KPKGHURUTGOBRX-DTORHVGOSA-N 0 0 322.394 0.486 50 0 DCAARN Cn1nnc2c1ncnc2SCC(=O)NC[C@H]1CCCO1 ZINC000013531877 395688737 /nfs/dbraw/zinc/68/87/37/395688737.db2.gz DRFFGOOCQASVIY-MRVPVSSYSA-N 0 0 308.367 0.146 50 0 DCAARN O=C(CN1CCNC(=O)C1)N1CCS[C@@H]1c1ccccc1F ZINC000014018176 395688994 /nfs/dbraw/zinc/68/89/94/395688994.db2.gz JBIAQMHHADCHNC-OAHLLOKOSA-N 0 0 323.393 0.832 50 0 DCAARN C[C@H]1C[C@H](C)CN(C(=O)Cn2nnn(-c3cccs3)c2=O)C1 ZINC000014022564 395689030 /nfs/dbraw/zinc/68/90/30/395689030.db2.gz XBLUQGPPKLDTID-QWRGUYRKSA-N 0 0 321.406 0.995 50 0 DCAARN COC[C@@H](C)NC(=O)COc1ccc(Cl)cc1C(N)=O ZINC000014128831 395689246 /nfs/dbraw/zinc/68/92/46/395689246.db2.gz GNLGNBXADNBWGX-MRVPVSSYSA-N 0 0 300.742 0.969 50 0 DCAARN COc1ccnc(N2CCN(CC(=O)NCC(C)C)CC2)n1 ZINC000014188378 395689287 /nfs/dbraw/zinc/68/92/87/395689287.db2.gz LLOKRTOBHYHBCD-UHFFFAOYSA-N 0 0 307.398 0.379 50 0 DCAARN O=C(NC1CC1)c1ccccc1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000014671290 395689664 /nfs/dbraw/zinc/68/96/64/395689664.db2.gz OWMSOFBSEHJMAR-JTQLQIEISA-N 0 0 322.386 0.952 50 0 DCAARN COc1c2c(cc([C@H]3ON=C(C(N)=O)[C@H]3C)c1OC)OCO2 ZINC000015082581 395689840 /nfs/dbraw/zinc/68/98/40/395689840.db2.gz UUGPYRTYBNIBAR-LDWIPMOCSA-N 0 0 308.290 0.981 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)c1ccc(N2CCOCC2)nc1 ZINC000025049606 395693246 /nfs/dbraw/zinc/69/32/46/395693246.db2.gz PKTSJGIWYQOLKA-UHFFFAOYSA-N 0 0 315.377 0.924 50 0 DCAARN COc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=CNN32)c(OC)c1 ZINC000000071355 395679637 /nfs/dbraw/zinc/67/96/37/395679637.db2.gz QUFOPKDTRXTAEX-ZDUSSCGKSA-N 0 0 315.333 0.722 50 0 DCAARN O=C(CSc1ncnc2c1cnn2CCO)N1CCCC1 ZINC000000082064 395679761 /nfs/dbraw/zinc/67/97/61/395679761.db2.gz LOUGDKMDAFLZMD-UHFFFAOYSA-N 0 0 307.379 0.533 50 0 DCAARN COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000000103476 395679846 /nfs/dbraw/zinc/67/98/46/395679846.db2.gz XKINLGZEIVOYBV-UHFFFAOYSA-N 0 0 315.347 0.503 50 0 DCAARN O=C1NCCN1CCNS(=O)(=O)c1cccc2cccnc21 ZINC000000146508 395680003 /nfs/dbraw/zinc/68/00/03/395680003.db2.gz YQMPWNYYAYBJKR-UHFFFAOYSA-N 0 0 320.374 0.538 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000000224224 395680114 /nfs/dbraw/zinc/68/01/14/395680114.db2.gz UELNDWUOZKIWMY-UHFFFAOYSA-N 0 0 315.738 0.826 50 0 DCAARN COC(=O)CN(C#N)c1nc(NC(C)C)nc(NC(C)C)n1 ZINC000000346078 395680235 /nfs/dbraw/zinc/68/02/35/395680235.db2.gz QYAYANIDXCPTDU-UHFFFAOYSA-N 0 0 307.358 0.973 50 0 DCAARN O=C([C@H]1CCCO1)N1CCN(C(=S)NCc2ccco2)CC1 ZINC000000611977 395680572 /nfs/dbraw/zinc/68/05/72/395680572.db2.gz JPLXCHGHZCVLQN-CYBMUJFWSA-N 0 0 323.418 0.977 50 0 DCAARN COc1cccc(C(=O)Nc2cnn(C)c2C(N)=O)c1OC ZINC000002799728 395682003 /nfs/dbraw/zinc/68/20/03/395682003.db2.gz QBAVSHYBVLKHKM-UHFFFAOYSA-N 0 0 304.306 0.789 50 0 DCAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccco2)cc1 ZINC000003273439 395682445 /nfs/dbraw/zinc/68/24/45/395682445.db2.gz GBVWOQFYDMDVAW-UHFFFAOYSA-N 0 0 324.314 0.723 50 0 DCAARN O=C(CN1CCNC(=O)C1)Nc1ccc2c(c1)OCCCO2 ZINC000007844065 395683598 /nfs/dbraw/zinc/68/35/98/395683598.db2.gz VYSBHEXIWOWFJQ-UHFFFAOYSA-N 0 0 305.334 0.218 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)Nc1cccc(OC)c1 ZINC000008065728 395683850 /nfs/dbraw/zinc/68/38/50/395683850.db2.gz XZLTUBNMBDKFMB-SNVBAGLBSA-N 0 0 322.365 0.410 50 0 DCAARN COc1ccc(CCNC(=O)N2CCN(C[C@@H](C)O)CC2)cc1 ZINC000085466902 395701063 /nfs/dbraw/zinc/70/10/63/395701063.db2.gz SZZULMMUVNPNCH-CQSZACIVSA-N 0 0 321.421 0.946 50 0 DCAARN O=C(CN1CCOc2ccccc21)N[C@H]1CCS(=O)(=O)C1 ZINC000030594345 395703604 /nfs/dbraw/zinc/70/36/04/395703604.db2.gz JGDLCAHUKQZSTM-NSHDSACASA-N 0 0 310.375 0.189 50 0 DCAARN CCOC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000030805306 395704290 /nfs/dbraw/zinc/70/42/90/395704290.db2.gz UGNYTACDRJBNHI-WDEREUQCSA-N 0 0 318.395 0.158 50 0 DCAARN CCNC(=O)CSc1nc2ncccc2c(=O)n1CCOC ZINC000031615792 395707301 /nfs/dbraw/zinc/70/73/01/395707301.db2.gz FNEASMVXFPFLHI-UHFFFAOYSA-N 0 0 322.390 0.666 50 0 DCAARN NC(=O)c1ccc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)nc1 ZINC000032565256 395711634 /nfs/dbraw/zinc/71/16/34/395711634.db2.gz ZWFMSRAHTXVRSF-CYBMUJFWSA-N 0 0 318.377 0.256 50 0 DCAARN Cc1nc(C)c(CC(=O)NCc2cccnc2N(C)C)c(=O)[nH]1 ZINC000032690462 395712398 /nfs/dbraw/zinc/71/23/98/395712398.db2.gz KKLKOIMLVVSZIK-UHFFFAOYSA-N 0 0 315.377 0.707 50 0 DCAARN COCCOC(=O)c1c(C)[nH]c(C(=O)NC2(CO)CC2)c1C ZINC000089502458 395712533 /nfs/dbraw/zinc/71/25/33/395712533.db2.gz SSLOWPFATKBNLT-UHFFFAOYSA-N 0 0 310.350 0.689 50 0 DCAARN Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H]1CCCO1 ZINC000032716564 395712633 /nfs/dbraw/zinc/71/26/33/395712633.db2.gz HFRDOCQDPUYVSY-LBPRGKRZSA-N 0 0 303.366 0.969 50 0 DCAARN Cc1cc([C@@](C)(O)CNS(=O)(=O)c2cn(C)cn2)c(C)o1 ZINC000089580384 395713305 /nfs/dbraw/zinc/71/33/05/395713305.db2.gz LZLZYYWIVBMWDY-ZDUSSCGKSA-N 0 0 313.379 0.816 50 0 DCAARN Cc1cc(N[C@H](C)C(=O)NC(N)=O)ccc1NS(C)(=O)=O ZINC000032771613 395713422 /nfs/dbraw/zinc/71/34/22/395713422.db2.gz IPGFHWQFJJYJTL-MRVPVSSYSA-N 0 0 314.367 0.362 50 0 DCAARN COc1ccc(OCCNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000032772436 395713451 /nfs/dbraw/zinc/71/34/51/395713451.db2.gz JYVGBSWYKYLWIN-NSHDSACASA-N 0 0 313.375 0.625 50 0 DCAARN O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CNC(=O)N1 ZINC000089788155 395715339 /nfs/dbraw/zinc/71/53/39/395715339.db2.gz FGMIOSWPQOVHBF-GWCFXTLKSA-N 0 0 322.796 0.964 50 0 DCAARN O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)NC1CCCCC1 ZINC000089818444 395715357 /nfs/dbraw/zinc/71/53/57/395715357.db2.gz IWSTXNNTAFVAPC-BMIGLBTASA-N 0 0 308.382 0.997 50 0 DCAARN CC(C)c1nnc([C@H]2CN(C(=O)c3csnn3)CCO2)[nH]1 ZINC000089893541 395715856 /nfs/dbraw/zinc/71/58/56/395715856.db2.gz GGBJUYUKRJAZTK-SECBINFHSA-N 0 0 308.367 0.993 50 0 DCAARN Cn1ccc(C(=O)NCc2ccccc2Cn2cncn2)cc1=O ZINC000033107701 395716591 /nfs/dbraw/zinc/71/65/91/395716591.db2.gz UVQQDEZTPLTXSY-UHFFFAOYSA-N 0 0 323.356 0.955 50 0 DCAARN CNC(=O)[C@H]1CCCCN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000033209907 395716629 /nfs/dbraw/zinc/71/66/29/395716629.db2.gz IYNIMYMWRBDQRQ-GFCCVEGCSA-N 0 0 314.345 0.664 50 0 DCAARN CCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000089941738 395717006 /nfs/dbraw/zinc/71/70/06/395717006.db2.gz VBDCHKGEKHFYDV-GXSJLCMTSA-N 0 0 301.412 0.185 50 0 DCAARN C[C@@H]1CCCCN1C(=O)c1ccc(CNS(N)(=O)=O)cc1 ZINC000089929734 395717067 /nfs/dbraw/zinc/71/70/67/395717067.db2.gz KJPDXEAVUUVIPX-LLVKDONJSA-N 0 0 311.407 0.994 50 0 DCAARN C[C@H]1CN(C)CCN1C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000089938599 395717161 /nfs/dbraw/zinc/71/71/61/395717161.db2.gz IQOHBTLDNUBZHM-JTQLQIEISA-N 0 0 300.380 0.600 50 0 DCAARN CCc1nnc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)s1 ZINC000035597100 395720930 /nfs/dbraw/zinc/72/09/30/395720930.db2.gz FEXVFJVLOJYHAI-UHFFFAOYSA-N 0 0 323.378 0.367 50 0 DCAARN Cn1c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2oc1=O ZINC000036086304 395721979 /nfs/dbraw/zinc/72/19/79/395721979.db2.gz CELJRTSQIRJKGE-UHFFFAOYSA-N 0 0 311.363 0.068 50 0 DCAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1-n1cnnn1)C(=O)OC ZINC000036580040 395723320 /nfs/dbraw/zinc/72/33/20/395723320.db2.gz DBABZFCBQCUZLJ-MFKMUULPSA-N 0 0 317.349 0.980 50 0 DCAARN CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)N(C)C ZINC000027975353 395695586 /nfs/dbraw/zinc/69/55/86/395695586.db2.gz OYQYRYADIZDERJ-NSHDSACASA-N 0 0 300.380 0.955 50 0 DCAARN CNC(=O)[C@H]1CN(C(=O)[C@@H](C)n2cccn2)c2ccccc2O1 ZINC000028488914 395696022 /nfs/dbraw/zinc/69/60/22/395696022.db2.gz VKBQEXNAAWCKLA-BXUZGUMPSA-N 0 0 314.345 0.984 50 0 DCAARN Cc1nc2ccccc2n1CCNC(=O)CNC(=O)C1CC1 ZINC000029235262 395697520 /nfs/dbraw/zinc/69/75/20/395697520.db2.gz QOIQHYHVSXVOBB-UHFFFAOYSA-N 0 0 300.362 0.987 50 0 DCAARN NC(=O)[C@H]1CN(C(=O)COC(=O)C2CC2)c2ccccc2O1 ZINC000029271041 395697704 /nfs/dbraw/zinc/69/77/04/395697704.db2.gz LBYDHMFFVKHELE-GFCCVEGCSA-N 0 0 304.302 0.219 50 0 DCAARN CSCc1ccc(C(=O)NCCNS(C)(=O)=O)cc1 ZINC000029679524 395699492 /nfs/dbraw/zinc/69/94/92/395699492.db2.gz BEOUZMIYSKRHCQ-UHFFFAOYSA-N 0 0 302.421 0.829 50 0 DCAARN CCCCN(CC(N)=O)S(=O)(=O)c1ncn(C)c1Cl ZINC000038109928 395731583 /nfs/dbraw/zinc/73/15/83/395731583.db2.gz QMVATFDPVPDKRG-UHFFFAOYSA-N 0 0 308.791 0.350 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(c2cnc3ccccc3n2)CC1 ZINC000040520074 395734122 /nfs/dbraw/zinc/73/41/22/395734122.db2.gz GBLWVZBKASJHSC-UHFFFAOYSA-N 0 0 321.406 0.558 50 0 DCAARN O=C(NCCc1cc(=O)[nH]cn1)[C@@H]1COc2ccccc2O1 ZINC000096161906 395746583 /nfs/dbraw/zinc/74/65/83/395746583.db2.gz AFYIDVGICJQCAQ-ZDUSSCGKSA-N 0 0 301.302 0.269 50 0 DCAARN CO[C@H]1CCCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000095972002 395741022 /nfs/dbraw/zinc/74/10/22/395741022.db2.gz MZIISMXSEUMGGC-QWRGUYRKSA-N 0 0 306.428 0.588 50 0 DCAARN CC(C)n1cc(N2C[C@H](C(=O)N3CCN(C)CC3)CC2=O)cn1 ZINC000096101481 395744259 /nfs/dbraw/zinc/74/42/59/395744259.db2.gz ATPHGRLMQZQRFE-CYBMUJFWSA-N 0 0 319.409 0.591 50 0 DCAARN Cn1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)n1 ZINC000096115411 395745519 /nfs/dbraw/zinc/74/55/19/395745519.db2.gz ADCFKPCHLVMTEX-NSHDSACASA-N 0 0 313.317 0.499 50 0 biogenic DCAARN CCNC(=O)CN1CCN(c2ncc(C)c(N(C)C)n2)CC1 ZINC000096131082 395745558 /nfs/dbraw/zinc/74/55/58/395745558.db2.gz IOWOYWWUMDFHTB-UHFFFAOYSA-N 0 0 306.414 0.109 50 0 DCAARN Cc1nnnn1CCC(=O)N1CCC[C@@](CO)(CC2CC2)C1 ZINC000096148733 395746297 /nfs/dbraw/zinc/74/62/97/395746297.db2.gz XLCSIWCRDYPRCA-OAHLLOKOSA-N 0 0 307.398 0.773 50 0 DCAARN COCC[C@H](NC(=O)c1csc(-c2ccccn2)n1)C(N)=O ZINC000097034109 395755102 /nfs/dbraw/zinc/75/51/02/395755102.db2.gz BJQOJEOWIVYNCL-VIFPVBQESA-N 0 0 320.374 0.825 50 0 DCAARN C[C@H]1CN(CCNc2ncnc3c2cnn3CCO)C[C@H](C)O1 ZINC000097200127 395755629 /nfs/dbraw/zinc/75/56/29/395755629.db2.gz HHGZNYLJYUVLHW-RYUDHWBXSA-N 0 0 320.397 0.340 50 0 DCAARN O=C(c1cnc2ccc(Br)cn2c1=O)N1CC(O)C1 ZINC000097228386 395756596 /nfs/dbraw/zinc/75/65/96/395756596.db2.gz GURBOSCNLMLMIG-UHFFFAOYSA-N 0 0 324.134 0.274 50 0 DCAARN O=C(NCCc1nc2ccccc2[nH]1)c1ccn2nnnc2c1 ZINC000096232166 395750945 /nfs/dbraw/zinc/75/09/45/395750945.db2.gz QHGMRUYRWKZQPZ-UHFFFAOYSA-N 0 0 307.317 0.973 50 0 DCAARN O=C(C[C@H]1Oc2ccccc2NC1=O)NCCc1c[nH]cn1 ZINC000096232435 395751162 /nfs/dbraw/zinc/75/11/62/395751162.db2.gz FPKJOKYFJWQIDG-CYBMUJFWSA-N 0 0 300.318 0.858 50 0 DCAARN C[C@@H](C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)N1CCCCC1=O ZINC000107058050 395784407 /nfs/dbraw/zinc/78/44/07/395784407.db2.gz BALFSZAZMDGRQM-QLFBSQMISA-N 0 0 323.437 0.567 50 0 DCAARN O=C(CN1CCC[C@H](c2cc[nH]n2)C1)N[C@H]1CCCCNC1=O ZINC000106901891 395784534 /nfs/dbraw/zinc/78/45/34/395784534.db2.gz DAFYZEFSOHFOSH-JSGCOSHPSA-N 0 0 319.409 0.374 50 0 DCAARN O=C([O-])[C@H]1CN(C(=O)c2ncc[nH]2)CC[N@@H+](C2CCOCC2)C1 ZINC000097610151 395759126 /nfs/dbraw/zinc/75/91/26/395759126.db2.gz HQJLLRDSCWXDFF-LLVKDONJSA-N 0 0 322.365 0.047 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N1CCO[C@H](c2ccccc2)C1 ZINC000097603273 395759144 /nfs/dbraw/zinc/75/91/44/395759144.db2.gz QAYVVOFXGGKFCE-NEPJUHHUSA-N 0 0 303.318 0.185 50 0 DCAARN CNC(=O)[C@H]1CC[N@H+](Cc2c(OC)cc(OC)cc2C(=O)[O-])C1 ZINC000097619623 395759431 /nfs/dbraw/zinc/75/94/31/395759431.db2.gz DLFQKTGJEDREDI-JTQLQIEISA-N 0 0 322.361 0.970 50 0 DCAARN C[C@]1(O)CCN(c2ccc(CN3CCOCC3)cn2)C[C@@H]1O ZINC000097775770 395760711 /nfs/dbraw/zinc/76/07/11/395760711.db2.gz KPNJQYXOOTXGSG-HOCLYGCPSA-N 0 0 307.394 0.236 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)NCCc1ccc2ccccc2n1 ZINC000097931196 395761043 /nfs/dbraw/zinc/76/10/43/395761043.db2.gz BEPIYEDVPVIFAX-CYBMUJFWSA-N 0 0 312.329 0.492 50 0 DCAARN CCCN1CCN(C(=O)c2cn3nc(OC)ccc3n2)CC1 ZINC000097938768 395761335 /nfs/dbraw/zinc/76/13/35/395761335.db2.gz NDXPRTGARKTHKX-UHFFFAOYSA-N 0 0 303.366 0.906 50 0 DCAARN CCN1CCN(C(=O)[C@H](C)N2CCC(C(=O)OC)CC2)CC1 ZINC000098068219 395761705 /nfs/dbraw/zinc/76/17/05/395761705.db2.gz KWBIMZHWPJEEQC-ZDUSSCGKSA-N 0 0 311.426 0.424 50 0 DCAARN COCCCNC(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000045657601 395764640 /nfs/dbraw/zinc/76/46/40/395764640.db2.gz ZJRYHSBHYAYEFZ-UHFFFAOYSA-N 0 0 308.382 0.754 50 0 DCAARN O=C(NCCOc1ccccc1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000045654648 395764699 /nfs/dbraw/zinc/76/46/99/395764699.db2.gz JJXNLUMERLNOQJ-LBPRGKRZSA-N 0 0 312.391 0.799 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)NCc1ccccc1F ZINC000045859523 395767396 /nfs/dbraw/zinc/76/73/96/395767396.db2.gz YJYWYUAGOSXQEP-UHFFFAOYSA-N 0 0 300.355 0.172 50 0 DCAARN C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)S(C)(=O)=O ZINC000045881497 395767578 /nfs/dbraw/zinc/76/75/78/395767578.db2.gz MISSMZQQHRHMMJ-GHMZBOCLSA-N 0 0 313.375 0.718 50 0 DCAARN C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)S(C)(=O)=O ZINC000045881500 395767724 /nfs/dbraw/zinc/76/77/24/395767724.db2.gz MISSMZQQHRHMMJ-QWRGUYRKSA-N 0 0 313.375 0.718 50 0 DCAARN COCc1nnc(NC(=O)CN2[C@@H]3CC[C@H]2C[C@@H](O)C3)s1 ZINC000102514827 395770468 /nfs/dbraw/zinc/77/04/68/395770468.db2.gz ICBHXSOYKAKCTR-MYJAWHEDSA-N 0 0 312.395 0.611 50 0 DCAARN O=C(CNS(=O)(=O)c1cccs1)NC[C@H]1CCCO1 ZINC000046412545 395776293 /nfs/dbraw/zinc/77/62/93/395776293.db2.gz NAONAKPIEMLDEJ-SECBINFHSA-N 0 0 304.393 0.322 50 0 DCAARN COc1ccc(C)cc1CC(=O)NCC1(C(N)=O)CCOCC1 ZINC000047931079 395803126 /nfs/dbraw/zinc/80/31/26/395803126.db2.gz OHSAIRLNKGOUMM-UHFFFAOYSA-N 0 0 320.389 0.944 50 0 DCAARN Cn1cnnc1[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 ZINC000048285690 395812543 /nfs/dbraw/zinc/81/25/43/395812543.db2.gz AZLZBHUWUNRERG-CYBMUJFWSA-N 0 0 319.409 0.924 50 0 DCAARN O=C(Nc1ccc(-n2cccn2)nc1)N[C@H]1CCS(=O)(=O)C1 ZINC000048368831 395813938 /nfs/dbraw/zinc/81/39/38/395813938.db2.gz WJXFAATZHSHXDB-NSHDSACASA-N 0 0 321.362 0.576 50 0 DCAARN COc1cc(NC(=O)NCC(=O)N(C)C)ccc1NC(C)=O ZINC000048385671 395815021 /nfs/dbraw/zinc/81/50/21/395815021.db2.gz NFKYVCROWYTTRI-UHFFFAOYSA-N 0 0 308.338 0.863 50 0 DCAARN O=C(CN1CCN(CCO)CC1)NCCCc1ccccc1 ZINC000048615873 395820445 /nfs/dbraw/zinc/82/04/45/395820445.db2.gz RZWRPTFPKAKWEZ-UHFFFAOYSA-N 0 0 305.422 0.345 50 0 DCAARN CCS(=O)(=O)CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000048914730 395824690 /nfs/dbraw/zinc/82/46/90/395824690.db2.gz HMWHVFKYNDCVBE-UHFFFAOYSA-N 0 0 312.269 0.767 50 0 DCAARN COc1ncccc1CNC(=O)N[C@H](C)CN1CCOCC1 ZINC000048939305 395825268 /nfs/dbraw/zinc/82/52/68/395825268.db2.gz WOBXRTNGJGLLAO-GFCCVEGCSA-N 0 0 308.382 0.610 50 0 DCAARN O=C(COC[C@H]1CCCO1)NCCCc1nnc2ccccn21 ZINC000113162310 395827466 /nfs/dbraw/zinc/82/74/66/395827466.db2.gz IWMFSCYOUZRPDR-CYBMUJFWSA-N 0 0 318.377 0.974 50 0 DCAARN Cc1nc(N)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1C ZINC000049411035 395831730 /nfs/dbraw/zinc/83/17/30/395831730.db2.gz WXKABGXSCIPNRZ-UHFFFAOYSA-N 0 0 304.325 0.898 50 0 DCAARN COCCNC(=O)N1CC(c2nc(-c3cccnc3)no2)C1 ZINC000049483776 395832660 /nfs/dbraw/zinc/83/26/60/395832660.db2.gz BTISOQSKCHPKGR-UHFFFAOYSA-N 0 0 303.322 0.887 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CC[C@H](Oc3cccnn3)C2)c1 ZINC000225420051 395860249 /nfs/dbraw/zinc/86/02/49/395860249.db2.gz HBHKBCIPDCISGP-JTQLQIEISA-N 0 0 309.351 0.052 50 0 DCAARN COc1ccccc1N(C)CC(=O)N[C@H]1CCCCNC1=O ZINC000052190445 395860652 /nfs/dbraw/zinc/86/06/52/395860652.db2.gz UISMAVYTWJFXET-LBPRGKRZSA-N 0 0 305.378 0.916 50 0 DCAARN Cc1nc2c(c(=O)n1C)CN(C(=O)COC[C@H]1CCCO1)C2 ZINC000219420885 395845592 /nfs/dbraw/zinc/84/55/92/395845592.db2.gz DJVNKVMVNNUWJB-LLVKDONJSA-N 0 0 307.350 0.127 50 0 DCAARN COCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(N)=O)cc1 ZINC000219327893 395845684 /nfs/dbraw/zinc/84/56/84/395845684.db2.gz DXOSKBZPHFZPRV-CHWSQXEVSA-N 0 0 308.334 0.084 50 0 DCAARN Cc1ccc(C)c(CC(=O)N2CCN3C(=O)CNC(=O)[C@H]3C2)c1 ZINC000219791895 395846345 /nfs/dbraw/zinc/84/63/45/395846345.db2.gz QCOSQHNMIYVHHD-CQSZACIVSA-N 0 0 315.373 0.015 50 0 DCAARN Cc1nc(NCCSc2nnnn2C)cc(C2CC(O)C2)n1 ZINC000219904338 395847216 /nfs/dbraw/zinc/84/72/16/395847216.db2.gz ZXJPSZRSFDMOJL-UHFFFAOYSA-N 0 0 321.410 0.751 50 0 DCAARN Cc1nc(N)ncc1C(=O)NCc1nnc(-c2ccncc2)[nH]1 ZINC000220123135 395847876 /nfs/dbraw/zinc/84/78/76/395847876.db2.gz DXEXIXUNOAXKGP-UHFFFAOYSA-N 0 0 310.321 0.477 50 0 DCAARN CS(=O)(=O)NCCNC(=O)COCc1ccccc1Cl ZINC000051208376 395848312 /nfs/dbraw/zinc/84/83/12/395848312.db2.gz USVLJEZNYZFIPG-UHFFFAOYSA-N 0 0 320.798 0.522 50 0 DCAARN C[C@H](c1nnnn1-c1ccccc1)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000221931752 395851544 /nfs/dbraw/zinc/85/15/44/395851544.db2.gz GKKXFAURACPONY-YUELXQCFSA-N 0 0 314.393 0.738 50 0 DCAARN CN(CCc1nc2cc(Cl)ccc2[nH]1)C(=O)Cn1cnnn1 ZINC000221433372 395851553 /nfs/dbraw/zinc/85/15/53/395851553.db2.gz PKNVRMVXPMEKNA-UHFFFAOYSA-N 0 0 319.756 0.904 50 0 DCAARN O=C(NCc1cc(C2CC2)on1)c1c[nH]nc1-n1cnnn1 ZINC000222878295 395853574 /nfs/dbraw/zinc/85/35/74/395853574.db2.gz BZCGINVOAMDCAK-UHFFFAOYSA-N 0 0 300.282 0.181 50 0 DCAARN CC1=C(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)SC2=NCCN21 ZINC000222996976 395853727 /nfs/dbraw/zinc/85/37/27/395853727.db2.gz BVJYMFUSDZWICY-CQSZACIVSA-N 0 0 322.390 0.689 50 0 DCAARN Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(C(=O)C1CCC1)C2 ZINC000223196193 395854357 /nfs/dbraw/zinc/85/43/57/395854357.db2.gz PVSXMJZANOWUEK-CQSZACIVSA-N 0 0 315.377 0.841 50 0 DCAARN Cc1cnn(CC(=O)N2CCCC[C@H]2CN2CCOCC2)c1 ZINC000223579248 395855463 /nfs/dbraw/zinc/85/54/63/395855463.db2.gz ADGHOSNAINAJLU-HNNXBMFYSA-N 0 0 306.410 0.905 50 0 DCAARN COC(=O)N1CCCC[C@H]1C(=O)NCCSc1c[nH]nn1 ZINC000223905314 395857587 /nfs/dbraw/zinc/85/75/87/395857587.db2.gz HNFNZFSKWLSLDQ-VIFPVBQESA-N 0 0 313.383 0.634 50 0 DCAARN Cc1cc(CN2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)on1 ZINC000047793529 395801323 /nfs/dbraw/zinc/80/13/23/395801323.db2.gz CEVKWSXHGNDWOL-LBPRGKRZSA-N 0 0 306.366 0.153 50 0 DCAARN CC(=O)N1CCC[C@H]1C(=O)N1CCN(c2nccs2)CC1 ZINC000054485486 395901189 /nfs/dbraw/zinc/90/11/89/395901189.db2.gz YLOKOTKSJTUOEN-LBPRGKRZSA-N 0 0 308.407 0.803 50 0 DCAARN Cc1noc(C2CCN(CC(=O)N3CCO[C@H](C)C3)CC2)n1 ZINC000054677968 395904949 /nfs/dbraw/zinc/90/49/49/395904949.db2.gz RPUZXPRUNLLDCV-LLVKDONJSA-N 0 0 308.382 0.805 50 0 DCAARN COc1ccc(CN(C)C(=O)CN2CCNCC2=O)cc1C ZINC000237260141 395908804 /nfs/dbraw/zinc/90/88/04/395908804.db2.gz SPMSVEQBMXDZKY-UHFFFAOYSA-N 0 0 305.378 0.394 50 0 DCAARN CC(C)OC(=O)CCNC(=O)NCc1nnc2ccccn21 ZINC000055045663 395910484 /nfs/dbraw/zinc/91/04/84/395910484.db2.gz SIGYVDLSEONXHV-UHFFFAOYSA-N 0 0 305.338 0.870 50 0 DCAARN O=C(Cc1ccoc1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000128976435 395918869 /nfs/dbraw/zinc/91/88/69/395918869.db2.gz UPENYLSEQVDSMF-UHFFFAOYSA-N 0 0 312.391 0.895 50 0 DCAARN CCCc1nc(C)c(CNC(=O)CCNS(C)(=O)=O)s1 ZINC000244828556 395925193 /nfs/dbraw/zinc/92/51/93/395925193.db2.gz TYJDSWDDRURKAP-UHFFFAOYSA-N 0 0 319.452 0.960 50 0 DCAARN O=C(COC[C@@H]1CCCCO1)NCc1cn2cccnc2n1 ZINC000244899695 395926009 /nfs/dbraw/zinc/92/60/09/395926009.db2.gz ZOFQQSLTDUGWQU-ZDUSSCGKSA-N 0 0 304.350 0.931 50 0 DCAARN Cn1cc(C(=O)NC[C@@H](c2ccoc2)N2CCSCC2)nn1 ZINC000245174487 395926907 /nfs/dbraw/zinc/92/69/07/395926907.db2.gz YORMZWLEULIWQE-ZDUSSCGKSA-N 0 0 321.406 0.928 50 0 DCAARN O=C(COc1ccccc1)N1CC[C@H](NS(=O)(=O)C2CC2)C1 ZINC000225755668 395862963 /nfs/dbraw/zinc/86/29/63/395862963.db2.gz ZQZVWZYESYKPGA-LBPRGKRZSA-N 0 0 324.402 0.748 50 0 DCAARN Cc1cccc(C(=O)N2CCCN([C@H]3COC[C@H]3O)CC2)c1 ZINC000225846577 395864366 /nfs/dbraw/zinc/86/43/66/395864366.db2.gz UMOIZPUYKHPPSY-JKSUJKDBSA-N 0 0 304.390 0.903 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(CC(=O)N2CCCCCC2)C1 ZINC000052669131 395867482 /nfs/dbraw/zinc/86/74/82/395867482.db2.gz TYMQYAMQVQOXHL-ZDUSSCGKSA-N 0 0 317.455 0.403 50 0 DCAARN CCOC(=O)[C@]12C[C@@H](OCC)[C@]1(c1ccccc1)NC(=O)C2=O ZINC000230129483 395878977 /nfs/dbraw/zinc/87/89/77/395878977.db2.gz SVUWVWZYTZXNMP-JLZZUVOBSA-N 0 0 317.341 0.939 50 0 DCAARN CC[C@@H](C)[C@H](CO)NC(=O)CCc1c(C)nc2[nH]cnn2c1=O ZINC000230275126 395880062 /nfs/dbraw/zinc/88/00/62/395880062.db2.gz JWTSTCHMGGLVRT-SKDRFNHKSA-N 0 0 321.381 0.182 50 0 DCAARN O=C(Cc1cnc2[nH]cnn2c1=O)N[C@@H](CO)c1ccccc1 ZINC000230273442 395880167 /nfs/dbraw/zinc/88/01/67/395880167.db2.gz IAPLIJLYRSODOD-LBPRGKRZSA-N 0 0 313.317 0.222 50 0 DCAARN C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000134975392 395936566 /nfs/dbraw/zinc/93/65/66/395936566.db2.gz ZSWUCTOHXFRJKQ-ZJUUUORDSA-N 0 0 318.420 0.753 50 0 DCAARN CSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccco3)N2N1 ZINC000137249675 395950669 /nfs/dbraw/zinc/95/06/69/395950669.db2.gz NJLFJDAZWZFOHM-ZDUSSCGKSA-N 0 0 312.354 0.786 50 0 DCAARN CN(C1CCN(C(=O)NCc2ccco2)CC1)S(C)(=O)=O ZINC000058019003 395951052 /nfs/dbraw/zinc/95/10/52/395951052.db2.gz RMFCNTSQWAZESP-UHFFFAOYSA-N 0 0 315.395 0.845 50 0 DCAARN CCN1CCN(C(=O)NC2CCN(c3ncccn3)CC2)CC1 ZINC000065415601 395993285 /nfs/dbraw/zinc/99/32/85/395993285.db2.gz VHSDBNNLXMTJPC-UHFFFAOYSA-N 0 0 318.425 0.793 50 0 DCAARN COc1ccnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000065624065 395995046 /nfs/dbraw/zinc/99/50/46/395995046.db2.gz CMUIUDMKIDEVFX-CYBMUJFWSA-N 0 0 319.409 0.618 50 0 DCAARN COC(=O)c1ccc(N2CCN([C@@H](C)C(N)=O)[C@H](C)C2)cc1 ZINC000065593127 395995233 /nfs/dbraw/zinc/99/52/33/395995233.db2.gz UZNMTEMCPVSMNC-NEPJUHHUSA-N 0 0 305.378 0.858 50 0 DCAARN C[C@@H]1CCN(C(=O)NC[C@H](c2cnn(C)c2)N(C)C)[C@H]1CO ZINC000249036757 396002123 /nfs/dbraw/zinc/00/21/23/396002123.db2.gz CHGQHSNMHPTCSG-BNOWGMLFSA-N 0 0 309.414 0.435 50 0 DCAARN COc1ccccc1N1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC000252512467 396022290 /nfs/dbraw/zinc/02/22/90/396022290.db2.gz QXHJYNZDLAPPOQ-NWDGAFQWSA-N 0 0 318.377 0.319 50 0 DCAARN CO[C@@H](C)CS(=O)(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000252511325 396022756 /nfs/dbraw/zinc/02/27/56/396022756.db2.gz ZYODJWBJLZCTMR-JTQLQIEISA-N 0 0 313.379 0.993 50 0 DCAARN CC[C@@H](C)[C@@H](CO)NC(=O)CCc1c(C)nc2[nH]cnn2c1=O ZINC000252538768 396022898 /nfs/dbraw/zinc/02/28/98/396022898.db2.gz NHOTUDZRAPVMNX-BXKDBHETSA-N 0 0 321.381 0.594 50 0 DCAARN CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1N[C@H]1C[C@H](C)OC1=O ZINC000252677618 396024263 /nfs/dbraw/zinc/02/42/63/396024263.db2.gz ZHRBFGVNZMEBSY-USZNOCQGSA-N 0 0 304.412 0.340 50 0 DCAARN C[C@@H](NC(=O)c1cc(CN2CCOCC2)on1)c1ccncn1 ZINC000067446800 396026575 /nfs/dbraw/zinc/02/65/75/396026575.db2.gz LPSGCLUBNUVLKH-LLVKDONJSA-N 0 0 317.349 0.788 50 0 DCAARN COCC(=O)N1CCN(C(=O)C(C)(C)c2ccccn2)CC1 ZINC000253406197 396026763 /nfs/dbraw/zinc/02/67/63/396026763.db2.gz WOYIVJQUNKSYHH-UHFFFAOYSA-N 0 0 305.378 0.676 50 0 DCAARN CNC(=O)C[C@H]1C(=O)NCCN1C(=O)c1nc(C(C)C)cs1 ZINC000067713274 396031679 /nfs/dbraw/zinc/03/16/79/396031679.db2.gz MNLMGOQPTKYZHJ-JTQLQIEISA-N 0 0 324.406 0.343 50 0 DCAARN Cc1ccc2c(c1)c(CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)nn2C ZINC000067754603 396032595 /nfs/dbraw/zinc/03/25/95/396032595.db2.gz XXLRSJYACQKWTF-UHFFFAOYSA-N 0 0 313.317 0.188 50 0 DCAARN CC(C)C1=NO[C@@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000067755840 396032697 /nfs/dbraw/zinc/03/26/97/396032697.db2.gz JCVOBINDLPZRRX-GFCCVEGCSA-N 0 0 317.411 0.328 50 0 DCAARN CCn1c(=O)[nH]nc1C1CCN(C(=O)[C@@]2(C)CCCO2)CC1 ZINC000067743644 396032706 /nfs/dbraw/zinc/03/27/06/396032706.db2.gz GGUNYDATJJANHF-OAHLLOKOSA-N 0 0 308.382 0.866 50 0 DCAARN CCn1nc(N2CCC[C@@H](NC(=O)c3cn[nH]c3)C2)ccc1=O ZINC000257192347 396034926 /nfs/dbraw/zinc/03/49/26/396034926.db2.gz UCBCNUYTLBICMD-GFCCVEGCSA-N 0 0 316.365 0.385 50 0 DCAARN CC(=O)N1CC2(C[C@@H]1c1nnc(C)o1)CC[NH+](CCO)CC2 ZINC000257192390 396035212 /nfs/dbraw/zinc/03/52/12/396035212.db2.gz UKTGVWAEWTZMHS-CYBMUJFWSA-N 0 0 308.382 0.746 50 0 DCAARN COCCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(C)=O ZINC000257187237 396035431 /nfs/dbraw/zinc/03/54/31/396035431.db2.gz LNKUWZRTCIKZAL-LSDHHAIUSA-N 0 0 306.362 0.817 50 0 DCAARN O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cocn1 ZINC000257196172 396035876 /nfs/dbraw/zinc/03/58/76/396035876.db2.gz XSTALSHIPVCVAQ-UONOGXRCSA-N 0 0 301.346 0.897 50 0 DCAARN CC(C)CCC(=O)N1CCC([N@@H+]2C[C@H](O)C[C@H]2C(N)=O)CC1 ZINC000257196217 396036145 /nfs/dbraw/zinc/03/61/45/396036145.db2.gz XUUZBRVBTGNEBA-KGLIPLIRSA-N 0 0 311.426 0.334 50 0 DCAARN CCn1c(CC2CCN(C(=O)[C@H]3CCOC3)CC2)nn(C)c1=O ZINC000067878467 396037812 /nfs/dbraw/zinc/03/78/12/396037812.db2.gz UZFWCYPCOBUQHU-ZDUSSCGKSA-N 0 0 322.409 0.419 50 0 DCAARN CS(=O)(=O)NCC[C@H]1CN(Cc2ccccc2F)CCO1 ZINC000067920272 396038582 /nfs/dbraw/zinc/03/85/82/396038582.db2.gz MXBAHKMWAFCUGB-ZDUSSCGKSA-N 0 0 316.398 0.966 50 0 DCAARN CCCCOC(=O)N[C@H]1C[C@@H](C(=O)N2CCOCC2)N(C)C1 ZINC000067910287 396038847 /nfs/dbraw/zinc/03/88/47/396038847.db2.gz KGKNHRXOZASUAJ-STQMWFEESA-N 0 0 313.398 0.444 50 0 DCAARN CS(=O)(=O)NCC[C@@H]1CN(Cc2ccccc2F)CCO1 ZINC000067920271 396039066 /nfs/dbraw/zinc/03/90/66/396039066.db2.gz MXBAHKMWAFCUGB-CYBMUJFWSA-N 0 0 316.398 0.966 50 0 DCAARN CCn1c(=O)[nH]nc1C1CCN(C(=O)[C@]2(C)CC(C)=NO2)CC1 ZINC000067982014 396041174 /nfs/dbraw/zinc/04/11/74/396041174.db2.gz PFCTVDRZKOXCJD-HNNXBMFYSA-N 0 0 321.381 0.852 50 0 DCAARN CN(C)S(=O)(=O)CCCN(Cc1cnn(C)c1)C1CC1 ZINC000252489471 396021053 /nfs/dbraw/zinc/02/10/53/396021053.db2.gz JRQCNTXTXCPPLM-UHFFFAOYSA-N 0 0 300.428 0.666 50 0 DCAARN Cc1cc(C)n(CCC(=O)NCCSc2nnnn2C)n1 ZINC000252505772 396021862 /nfs/dbraw/zinc/02/18/62/396021862.db2.gz VTQSULZMXLZBNX-UHFFFAOYSA-N 0 0 309.399 0.322 50 0 DCAARN Cc1cccc(NC(=O)CN(C)C(=O)C2=NN(C)C(=O)CC2)n1 ZINC000069654546 396086041 /nfs/dbraw/zinc/08/60/41/396086041.db2.gz WOHCOAFROFQMJR-UHFFFAOYSA-N 0 0 317.349 0.395 50 0 DCAARN COc1ccnc(N2CCN(Cc3cnc(N)s3)CC2)n1 ZINC000261985231 396087387 /nfs/dbraw/zinc/08/73/87/396087387.db2.gz JPKYACDZLHJOGZ-UHFFFAOYSA-N 0 0 306.395 0.846 50 0 DCAARN O=C([C@@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1Cn1cccn1 ZINC000069709358 396087719 /nfs/dbraw/zinc/08/77/19/396087719.db2.gz ZVPPBTCABTXUDH-OLZOCXBDSA-N 0 0 311.407 0.699 50 0 DCAARN CC(C)(C)[C@@H](O)CN1CCN(CCCS(C)(=O)=O)CC1 ZINC000069706258 396087898 /nfs/dbraw/zinc/08/78/98/396087898.db2.gz XCDHFUSUTUSEDG-ZDUSSCGKSA-N 0 0 306.472 0.446 50 0 DCAARN COCCc1noc(CN[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000069740524 396088624 /nfs/dbraw/zinc/08/86/24/396088624.db2.gz JAOPJYCLBDDRGC-LBPRGKRZSA-N 0 0 318.381 0.807 50 0 DCAARN CN(C)c1nccnc1O[C@H]1CCN(C(=O)c2ccnn2C)C1 ZINC000169750287 396090729 /nfs/dbraw/zinc/09/07/29/396090729.db2.gz XHPDJKXBFUDYFA-NSHDSACASA-N 0 0 316.365 0.570 50 0 DCAARN COCCN1CCN(CC(=O)NCCc2ccsc2)CC1 ZINC000069814950 396091243 /nfs/dbraw/zinc/09/12/43/396091243.db2.gz MSFMADLMLKTDML-UHFFFAOYSA-N 0 0 311.451 0.671 50 0 DCAARN Cc1cc(C(=O)NC[C@@H]2Cn3cccc3C(=O)N2C)n(C)n1 ZINC000169778800 396091723 /nfs/dbraw/zinc/09/17/23/396091723.db2.gz DLFDPISXRJZHQF-LLVKDONJSA-N 0 0 301.350 0.414 50 0 DCAARN Cn1nc2n(c1=O)CCN(C(=O)Cc1cccc(F)c1)CC2 ZINC000169783099 396091904 /nfs/dbraw/zinc/09/19/04/396091904.db2.gz GSUAVYVUAGBCFZ-UHFFFAOYSA-N 0 0 304.325 0.348 50 0 DCAARN O[C@@H](CN1CCO[C@H](Cn2cncn2)C1)c1ccccc1F ZINC000069840728 396092192 /nfs/dbraw/zinc/09/21/92/396092192.db2.gz IHULNDNOFACIOP-WFASDCNBSA-N 0 0 306.341 0.852 50 0 DCAARN COC(=O)[C@](C)(COc1ccccc1)NC(=O)[C@H]1CCC(=O)N1 ZINC000069844207 396092279 /nfs/dbraw/zinc/09/22/79/396092279.db2.gz NTJIKERYFQYLMJ-WBMJQRKESA-N 0 0 320.345 0.392 50 0 DCAARN Cc1noc([C@@H]2CN(C(=O)c3cscn3)C[C@H]2C(N)=O)n1 ZINC000169791202 396093374 /nfs/dbraw/zinc/09/33/74/396093374.db2.gz MVOVYHVUKLXEQC-HTQZYQBOSA-N 0 0 307.335 0.176 50 0 DCAARN COCCN1CCN([C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000069877571 396093766 /nfs/dbraw/zinc/09/37/66/396093766.db2.gz KKRFQMABECPQFE-INIZCTEOSA-N 0 0 319.449 0.998 50 0 DCAARN Cc1noc(CNC(=O)c2cc(Cl)ccc2-n2cnnn2)n1 ZINC000069893577 396093862 /nfs/dbraw/zinc/09/38/62/396093862.db2.gz DLSYBZGCLBBXOU-UHFFFAOYSA-N 0 0 319.712 0.937 50 0 DCAARN O=c1[nH]c(N2CC[C@@H](CNc3ccccn3)C2)nc2n[nH]cc21 ZINC000170598855 396095415 /nfs/dbraw/zinc/09/54/15/396095415.db2.gz UMHBWJYNQPQBHG-JTQLQIEISA-N 0 0 311.349 0.980 50 0 DCAARN CC(C)N(CC(F)(F)F)C(=O)CN1CCN(CCO)CC1 ZINC000069928058 396095583 /nfs/dbraw/zinc/09/55/83/396095583.db2.gz WSSBKUAPILDZQO-UHFFFAOYSA-N 0 0 311.348 0.396 50 0 DCAARN Cc1cc2c(cc1C(=O)N1CC[NH2+][C@@H](C(=O)[O-])C1)OCCO2 ZINC000071419254 396113769 /nfs/dbraw/zinc/11/37/69/396113769.db2.gz MUYKDHATUJUFPC-LLVKDONJSA-N 0 0 306.318 0.265 50 0 DCAARN CC(C)N1CCN(C(=O)c2sccc2-n2cnnn2)CC1 ZINC000071820967 396116001 /nfs/dbraw/zinc/11/60/01/396116001.db2.gz OQCIKAJCUVIARZ-UHFFFAOYSA-N 0 0 306.395 0.890 50 0 DCAARN O=C([C@H]1CCCN(c2ncccn2)C1)N1CCCn2ncnc21 ZINC000071826664 396117053 /nfs/dbraw/zinc/11/70/53/396117053.db2.gz GSWAIVGQYHYKQC-LBPRGKRZSA-N 0 0 313.365 0.721 50 0 DCAARN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cn(-c2ccccc2)nn1 ZINC000071829613 396117109 /nfs/dbraw/zinc/11/71/09/396117109.db2.gz FLWXLCBMANCBOT-NWDGAFQWSA-N 0 0 313.361 0.993 50 0 DCAARN COc1ccc(CCN2CCN(C(=O)c3cn[nH]n3)CC2)cc1 ZINC000071836593 396117695 /nfs/dbraw/zinc/11/76/95/396117695.db2.gz NDCIGVCADKRHRC-UHFFFAOYSA-N 0 0 315.377 0.814 50 0 DCAARN Cn1nccc1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000071863758 396119256 /nfs/dbraw/zinc/11/92/56/396119256.db2.gz CLDAFEWKTGFYSI-INIZCTEOSA-N 0 0 314.389 0.912 50 0 DCAARN C[C@H](C(=O)N1CCCN(c2cccnn2)CC1)n1ccnc1 ZINC000071860349 396119712 /nfs/dbraw/zinc/11/97/12/396119712.db2.gz HCZPSJAWJGZNEY-CYBMUJFWSA-N 0 0 300.366 0.973 50 0 DCAARN COc1cccc(COCC(=O)N2CCN(C[C@@H](C)O)CC2)c1 ZINC000071871251 396120484 /nfs/dbraw/zinc/12/04/84/396120484.db2.gz IIHVFOXADHHQAB-CQSZACIVSA-N 0 0 322.405 0.737 50 0 DCAARN Cc1ccn2ncc(C(=O)N3CCN(C[C@@H](C)O)CC3)c2n1 ZINC000071871512 396120698 /nfs/dbraw/zinc/12/06/98/396120698.db2.gz AMRPBPCEJUYUMK-GFCCVEGCSA-N 0 0 303.366 0.176 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)[C@H](C)S(=O)(=O)C(C)C)CC1 ZINC000071881148 396122746 /nfs/dbraw/zinc/12/27/46/396122746.db2.gz RBAGXJARKDJCSA-STQMWFEESA-N 0 0 320.455 0.113 50 0 DCAARN Cn1cc(N2CC[C@H](NS(=O)(=O)c3ccccc3)C2)cn1 ZINC000071910790 396124540 /nfs/dbraw/zinc/12/45/40/396124540.db2.gz GEAOGUXVPUBULA-LBPRGKRZSA-N 0 0 306.391 0.977 50 0 DCAARN CNC(=O)NC(=O)CN(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000071900639 396124704 /nfs/dbraw/zinc/12/47/04/396124704.db2.gz BLYSEMLJCJFNRC-GFCCVEGCSA-N 0 0 322.340 0.318 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCc2c1cccc2O ZINC000071920312 396125466 /nfs/dbraw/zinc/12/54/66/396125466.db2.gz APSHSORLFOKYMB-SKDRFNHKSA-N 0 0 310.375 0.866 50 0 DCAARN CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H]1CCC(=O)N1 ZINC000072283680 396129842 /nfs/dbraw/zinc/12/98/42/396129842.db2.gz YHPAXXMRLPZUTQ-GWCFXTLKSA-N 0 0 323.418 0.897 50 0 DCAARN C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)c1nnc2n1CCCCC2 ZINC000069350115 396075718 /nfs/dbraw/zinc/07/57/18/396075718.db2.gz RMGHHVUWBSEXLF-WDEREUQCSA-N 0 0 305.382 0.708 50 0 DCAARN O=c1onc(-c2ncccn2)n1Cc1cc(=O)n2ccccc2n1 ZINC000069435260 396077945 /nfs/dbraw/zinc/07/79/45/396077945.db2.gz YDHMCQABFBJUIW-UHFFFAOYSA-N 0 0 322.284 0.350 50 0 DCAARN CCc1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(CC3CC3)C1)C2 ZINC000069464601 396079637 /nfs/dbraw/zinc/07/96/37/396079637.db2.gz KBHKMVBGWLAAAP-GFCCVEGCSA-N 0 0 317.393 0.441 50 0 DCAARN Cc1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCCC2)n1 ZINC000069482362 396080256 /nfs/dbraw/zinc/08/02/56/396080256.db2.gz YFLKOUZCNLLQBL-ZIAGYGMSSA-N 0 0 323.418 0.381 50 0 DCAARN O=C1OCC[C@H]1N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 ZINC000069599530 396084323 /nfs/dbraw/zinc/08/43/23/396084323.db2.gz OVBGOUGUAPKXHG-GXTWGEPZSA-N 0 0 324.402 0.745 50 0 DCAARN Cn1cc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)cn1 ZINC000069620173 396084572 /nfs/dbraw/zinc/08/45/72/396084572.db2.gz ALNJXDMZEDWIBV-KBPBESRZSA-N 0 0 312.439 0.161 50 0 DCAARN CCN(CC(=O)NC)C(=O)[C@@H]1COc2cc(OC)ccc2C1 ZINC000069600676 396084612 /nfs/dbraw/zinc/08/46/12/396084612.db2.gz BLDBOVIUSFHDFO-LBPRGKRZSA-N 0 0 306.362 0.841 50 0 DCAARN Cc1ccnc(NC(=O)CN(C)CC(=O)NC[C@H]2CCCO2)c1 ZINC000069595590 396084888 /nfs/dbraw/zinc/08/48/88/396084888.db2.gz GHQUFEJHHPKYAE-CYBMUJFWSA-N 0 0 320.393 0.556 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 ZINC000075123199 396176645 /nfs/dbraw/zinc/17/66/45/396176645.db2.gz NYAHTWHWUIEFQW-LURJTMIESA-N 0 0 318.255 0.733 50 0 DCAARN CCOC(=O)CCCS(=O)(=O)N[C@@H](CC(=O)OC)C1CC1 ZINC000075109594 396176827 /nfs/dbraw/zinc/17/68/27/396176827.db2.gz PPEGPQHPGHZVLZ-NSHDSACASA-N 0 0 321.395 0.591 50 0 DCAARN Cc1nc(C)n([C@@H]2CCCN(C(=O)Cn3ccccc3=O)C2)n1 ZINC000075602667 396181575 /nfs/dbraw/zinc/18/15/75/396181575.db2.gz BZWBAHACTVJLMB-CQSZACIVSA-N 0 0 315.377 0.920 50 0 DCAARN CS(=O)(=O)NCCC(=O)N1CCCC[C@H]1Cn1cccn1 ZINC000075602031 396181581 /nfs/dbraw/zinc/18/15/81/396181581.db2.gz HUCKKMMSTABKBM-LBPRGKRZSA-N 0 0 314.411 0.204 50 0 DCAARN Cc1nnc([C@H]2CN(CC(=O)NCc3ccco3)CCO2)[nH]1 ZINC000076048168 396193780 /nfs/dbraw/zinc/19/37/80/396193780.db2.gz JQRIYBGRVGTBQF-GFCCVEGCSA-N 0 0 305.338 0.396 50 0 DCAARN COCCc1noc(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)n1 ZINC000076048207 396194264 /nfs/dbraw/zinc/19/42/64/396194264.db2.gz XXBHXRBUDSIIQC-SNVBAGLBSA-N 0 0 308.342 0.259 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cnn(-c2ccccc2)c1 ZINC000078641997 396251068 /nfs/dbraw/zinc/25/10/68/396251068.db2.gz LHNNKIKXFUDPHY-CABCVRRESA-N 0 0 301.346 0.981 50 0 DCAARN CCc1nc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)n2)no1 ZINC000078881191 396255939 /nfs/dbraw/zinc/25/59/39/396255939.db2.gz ZKKHYFHOIVUWSK-JTQLQIEISA-N 0 0 303.322 0.703 50 0 DCAARN C[C@H](NC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cnn(C)c1 ZINC000078996990 396259458 /nfs/dbraw/zinc/25/94/58/396259458.db2.gz GCQMWQWCHFYTKK-LYIQGSDWSA-N 0 0 305.382 0.790 50 0 DCAARN CN(CCNS(C)(=O)=O)C(=O)[C@@]1(C)CC1(Cl)Cl ZINC000079096059 396260717 /nfs/dbraw/zinc/26/07/17/396260717.db2.gz PUDPACIXJYSAHR-MRVPVSSYSA-N 0 0 303.211 0.578 50 0 DCAARN Cc1nccc(C(=O)NCCS(=O)(=O)c2ccccc2)n1 ZINC000079579449 396267667 /nfs/dbraw/zinc/26/76/67/396267667.db2.gz OAEMCYPEFXNLLD-UHFFFAOYSA-N 0 0 305.359 0.989 50 0 DCAARN COc1cccc(CCC(=O)N2CC[C@]3(CC(=O)NC3=O)C2)c1 ZINC000077437924 396222200 /nfs/dbraw/zinc/22/22/00/396222200.db2.gz IRRPHAUAXGPXFO-KRWDZBQOSA-N 0 0 316.357 0.893 50 0 DCAARN CC(=O)c1c(C)nn(CCC(=O)N2CCOC[C@@H](CO)C2)c1C ZINC000077437436 396222455 /nfs/dbraw/zinc/22/24/55/396222455.db2.gz PDKUMXUOZOUDPD-CQSZACIVSA-N 0 0 323.393 0.560 50 0 DCAARN CCN(C(=O)c1ccnn1C)C1CN(C(=O)c2ccnn2C)C1 ZINC000280858602 396226377 /nfs/dbraw/zinc/22/63/77/396226377.db2.gz VRJQOEPVAZGGQY-UHFFFAOYSA-N 0 0 316.365 0.140 50 0 DCAARN O=C(c1cc(=O)[nH]c(C2CC2)c1)N1CCC[C@H](OCCO)C1 ZINC000186193959 396344000 /nfs/dbraw/zinc/34/40/00/396344000.db2.gz SBKFKAZAXPWNPI-ZDUSSCGKSA-N 0 0 306.362 0.866 50 0 DCAARN Cc1ccc(Cc2nnn(CC(=O)N3CCOCC3)n2)cc1 ZINC000190690063 396410160 /nfs/dbraw/zinc/41/01/60/396410160.db2.gz VYXNVTGSBOAFAJ-UHFFFAOYSA-N 0 0 301.350 0.431 50 0 DCAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1cn[nH]c1 ZINC000270263155 396463821 /nfs/dbraw/zinc/46/38/21/396463821.db2.gz QWZBBIFRXMATOQ-RMLUDKJBSA-N 0 0 305.338 0.307 50 0 DCAARN Cc1cnn([C@@H]2CCN(C(=O)c3ccnc4c3nnn4C)C2)c1 ZINC000290805702 396472877 /nfs/dbraw/zinc/47/28/77/396472877.db2.gz UXGOENWRQWVIOM-LLVKDONJSA-N 0 0 311.349 0.955 50 0 DCAARN CNS(=O)(=O)CCn1cnc2cc(Cl)ccc2c1=O ZINC000584884209 396631828 /nfs/dbraw/zinc/63/18/28/396631828.db2.gz MXEQPIGXTPCRAD-UHFFFAOYSA-N 0 0 301.755 0.599 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@H]2CN(C)C[C@@H]2OC)cc1F ZINC000584891987 396634082 /nfs/dbraw/zinc/63/40/82/396634082.db2.gz WNUBGRCEVMNUCP-AAEUAGOBSA-N 0 0 318.370 0.442 50 0 DCAARN Cc1n[nH]c2c1CN(C(=O)[C@H]1CSC(C)(C)C(=O)N1)CC2 ZINC000584892150 396634325 /nfs/dbraw/zinc/63/43/25/396634325.db2.gz UBSJDMQKAKPUHJ-LLVKDONJSA-N 0 0 308.407 0.613 50 0 DCAARN Cc1n[nH]c(C)c1CC(=O)N1CC[C@@]2(C1)CN(C)C(=O)CO2 ZINC000584897637 396635887 /nfs/dbraw/zinc/63/58/87/396635887.db2.gz VJMYULPWWKXSJZ-HNNXBMFYSA-N 0 0 306.366 0.029 50 0 DCAARN Cc1nonc1CNC(=O)c1cccc(N2CCNC2=O)c1 ZINC000584903781 396637380 /nfs/dbraw/zinc/63/73/80/396637380.db2.gz JCYRJYYECCHHLH-UHFFFAOYSA-N 0 0 301.306 0.838 50 0 DCAARN CNC(=O)C[C@H]1CCN(C(=O)c2cnc(N(C)C)nc2C)C1 ZINC000584903922 396637694 /nfs/dbraw/zinc/63/76/94/396637694.db2.gz PORDCUNSQHSIFF-LLVKDONJSA-N 0 0 305.382 0.449 50 0 DCAARN CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)Nc1nc(CC(N)=O)cs1 ZINC000585149764 396642245 /nfs/dbraw/zinc/64/22/45/396642245.db2.gz NGVQBMVHOHDBPF-PSASIEDQSA-N 0 0 324.406 0.518 50 0 DCAARN COCc1cn([C@H]2CCN(C(=O)Cc3cccnc3)C2)nn1 ZINC000585149633 396642290 /nfs/dbraw/zinc/64/22/90/396642290.db2.gz FFZPGSANEZEWGN-AWEZNQCLSA-N 0 0 301.350 0.836 50 0 DCAARN Cc1ccc(S(=O)(=O)NN2CCS(=O)(=O)[C@@H](C)C2)cc1 ZINC000000405431 292181836 /nfs/dbraw/zinc/18/18/36/292181836.db2.gz QEOWARKNSZRVOQ-NSHDSACASA-N 0 0 318.420 0.307 50 0 DCAARN COc1cc(OC)nc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)n1 ZINC000299801319 286243522 /nfs/dbraw/zinc/24/35/22/286243522.db2.gz ZONPFARPPKCJPJ-QWRGUYRKSA-N 0 0 318.337 0.436 50 0 DCAARN CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H](O)CN2C(C)=O)C12CCC2 ZINC000242178803 286329785 /nfs/dbraw/zinc/32/97/85/286329785.db2.gz XAZJDDREWRZWOO-LJISPDSOSA-N 0 0 324.421 0.774 50 0 DCAARN CCO[C@@H]1NC(=O)NC(=O)C1(Br)Br ZINC000004529944 286421408 /nfs/dbraw/zinc/42/14/08/286421408.db2.gz HLQXUVLBBBXUBY-BYPYZUCNSA-N 0 0 315.949 0.675 50 0 DCAARN CN1C(=O)N[C@]2(CCN(C(=O)c3cnn4ccccc34)C2)C1=O ZINC000329390338 159088186 /nfs/dbraw/zinc/08/81/86/159088186.db2.gz RGLZJLZFNXBHEU-HNNXBMFYSA-N 0 0 313.317 0.305 50 0 DCAARN Cc1cncc(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000189771477 292968202 /nfs/dbraw/zinc/96/82/02/292968202.db2.gz XIADMEDULMQHJI-OAHLLOKOSA-N 0 0 309.435 0.695 50 0 DCAARN CCOC(=O)c1nc2cc3c(cc2[nH]c1=O)n(C)c(=O)n3C ZINC000020854427 415155613 /nfs/dbraw/zinc/15/56/13/415155613.db2.gz BKUIIUJEPJXNFC-UHFFFAOYSA-N 0 0 302.290 0.290 50 0 DCAARN Cc1ccc(S(=O)(=O)NN=c2[nH]cnc3c2cnn3C)cc1 ZINC000000116919 415124547 /nfs/dbraw/zinc/12/45/47/415124547.db2.gz JSJJDSGMCDGLCY-UHFFFAOYSA-N 0 0 318.362 0.977 50 0 DCAARN CC(=O)NCCOc1nc(N(C)C)nc(N2CCCCC2)n1 ZINC000002833374 415124964 /nfs/dbraw/zinc/12/49/64/415124964.db2.gz DMKNBXOVQDFEFQ-UHFFFAOYSA-N 0 0 308.386 0.443 50 0 DCAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(N)=O ZINC000002625127 415125834 /nfs/dbraw/zinc/12/58/34/415125834.db2.gz FQQAHRZANJAFED-LBPRGKRZSA-N 0 0 314.363 0.018 50 0 DCAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccccc1)N=N3 ZINC000004136691 415128378 /nfs/dbraw/zinc/12/83/78/415128378.db2.gz GFPHNBMCCFBBPT-UHFFFAOYSA-N 0 0 310.317 0.090 50 0 biogenic DCAARN CCCn1nnnc1COC(=O)CNC(=O)c1cccs1 ZINC000007322255 415138127 /nfs/dbraw/zinc/13/81/27/415138127.db2.gz KPPVADMUPOXYFP-UHFFFAOYSA-N 0 0 309.351 0.618 50 0 DCAARN Cc1cccn2cc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)nc12 ZINC000007064792 415138178 /nfs/dbraw/zinc/13/81/78/415138178.db2.gz KIHHDMQHUAMOHU-UHFFFAOYSA-N 0 0 324.344 0.438 50 0 DCAARN CC(C)NC(=O)NC(=O)[C@@H](C)Sc1n[nH]c(=O)n1C1CC1 ZINC000007776305 415140764 /nfs/dbraw/zinc/14/07/64/415140764.db2.gz XMXIDPYPSSIFFY-SSDOTTSWSA-N 0 0 313.383 0.621 50 0 DCAARN CC1=C(C(=O)OCC(C)C)[C@]2(O)C(=O)c3ccccc3[C@]2(O)N1 ZINC000008684269 415144449 /nfs/dbraw/zinc/14/44/49/415144449.db2.gz KKSGPNXLNMLXTO-DLBZAZTESA-N 0 0 317.341 0.836 50 0 DCAARN COCCCNC(=O)[C@@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000009059741 415144573 /nfs/dbraw/zinc/14/45/73/415144573.db2.gz BBRIJCACMVFPPF-LLVKDONJSA-N 0 0 318.381 0.722 50 0 DCAARN C[C@H]1CN(CCOc2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1 ZINC000027270186 415169630 /nfs/dbraw/zinc/16/96/30/415169630.db2.gz LXLIOUXEOPUVRB-RYUDHWBXSA-N 0 0 314.407 0.822 50 0 DCAARN NS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000040217575 415195318 /nfs/dbraw/zinc/19/53/18/415195318.db2.gz ZRDOBVUTKCEYQN-UHFFFAOYSA-N 0 0 303.771 0.301 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cn(-c2ccccc2)nn1 ZINC000032816394 415185488 /nfs/dbraw/zinc/18/54/88/415185488.db2.gz JQWHHTXOELBSCM-JTQLQIEISA-N 0 0 306.347 0.184 50 0 DCAARN COc1cccc(N2C[C@@H](C(=O)N3CCNC(=O)C3)CC2=O)c1 ZINC000044337950 415219581 /nfs/dbraw/zinc/21/95/81/415219581.db2.gz HDMLCZSYATWIHO-NSHDSACASA-N 0 0 317.345 0.007 50 0 DCAARN C[C@@H]1COCCN1C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000044912274 415233086 /nfs/dbraw/zinc/23/30/86/415233086.db2.gz ZPQGUYDSTHOOCH-BXUZGUMPSA-N 0 0 316.361 0.354 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)N2CCCCCC2)CC1 ZINC000044967596 415237385 /nfs/dbraw/zinc/23/73/85/415237385.db2.gz DBXHUZRSMOMFGT-UHFFFAOYSA-N 0 0 303.428 0.996 50 0 DCAARN COc1ncccc1CNC(=O)NCCN1C[C@@H](C)O[C@H](C)C1 ZINC000044953756 415237608 /nfs/dbraw/zinc/23/76/08/415237608.db2.gz NVAQNIJYRYKKIX-CHWSQXEVSA-N 0 0 322.409 0.999 50 0 DCAARN C[C@H]1CN(CCNC(=O)N(C)Cc2cnn(C)c2)C[C@H](C)O1 ZINC000044967783 415239946 /nfs/dbraw/zinc/23/99/46/415239946.db2.gz NIJKEKNTYVIJAA-STQMWFEESA-N 0 0 309.414 0.671 50 0 DCAARN Cc1ccc(CNC(=O)NC2CCN(CC(N)=O)CC2)s1 ZINC000044967548 415240572 /nfs/dbraw/zinc/24/05/72/415240572.db2.gz ZVOHBTAXXRRLSL-UHFFFAOYSA-N 0 0 310.423 0.805 50 0 DCAARN O=C(NCCN1CCCCC1)NC[C@H]1CCS(=O)(=O)C1 ZINC000045208625 415243324 /nfs/dbraw/zinc/24/33/24/415243324.db2.gz POENRVBNQIKKKN-GFCCVEGCSA-N 0 0 303.428 0.206 50 0 DCAARN CC(C)c1ccc2cc(C(=O)NC(C(N)=O)C(N)=O)[nH]c2c1 ZINC000045341473 415247114 /nfs/dbraw/zinc/24/71/14/415247114.db2.gz QLDGTOFVQPALHS-UHFFFAOYSA-N 0 0 302.334 0.360 50 0 DCAARN C[S@](=O)c1nncn1CC(=O)N1CCc2ccccc2C1 ZINC000332129211 415257661 /nfs/dbraw/zinc/25/76/61/415257661.db2.gz GNCDXEVVECHPAP-NRFANRHFSA-N 0 0 304.375 0.600 50 0 DCAARN COc1ccccc1[C@@H](O)CNC(=O)N[C@@H](C)c1nncn1C ZINC000046962895 415262947 /nfs/dbraw/zinc/26/29/47/415262947.db2.gz HFBDFJDUPSIRHJ-JQWIXIFHSA-N 0 0 319.365 0.918 50 0 DCAARN CCCCNC(=O)[C@H](C)S(=O)(=O)c1nnc2ccccn21 ZINC000047656686 415273843 /nfs/dbraw/zinc/27/38/43/415273843.db2.gz KOVNEIBJXWCIBO-JTQLQIEISA-N 0 0 310.379 0.808 50 0 DCAARN Cc1csc(N2CCN(CC(=O)N3CCO[C@@H](C)C3)CC2)n1 ZINC000047890671 415278873 /nfs/dbraw/zinc/27/88/73/415278873.db2.gz YVUSJWQTEQOZQM-ZDUSSCGKSA-N 0 0 324.450 0.821 50 0 DCAARN COC[C@H](C)NC(=O)CS(=O)(=O)c1ccc(F)c(F)c1 ZINC000047660707 415279582 /nfs/dbraw/zinc/27/95/82/415279582.db2.gz JCORKMRHRJEZOM-QMMMGPOBSA-N 0 0 307.318 0.890 50 0 DCAARN O=C(NCCNc1ncccn1)C1CCN(C(=O)C2CC2)CC1 ZINC000047992761 415283631 /nfs/dbraw/zinc/28/36/31/415283631.db2.gz OHEPDIDTFNVAJA-UHFFFAOYSA-N 0 0 317.393 0.653 50 0 DCAARN C[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccnc1 ZINC000044387778 415221371 /nfs/dbraw/zinc/22/13/71/415221371.db2.gz XLTLVCOSGKYYCX-DGCLKSJQSA-N 0 0 311.407 0.930 50 0 DCAARN CCCNC(=O)CN1CCN(c2cn[nH]c(=O)c2Cl)CC1 ZINC000044874392 415229824 /nfs/dbraw/zinc/22/98/24/415229824.db2.gz REQZMHCMIHNYQB-UHFFFAOYSA-N 0 0 313.789 0.484 50 0 DCAARN CN(C)[C@@H](CNC(=O)C(=O)Nc1c[nH]ccc1=O)c1ccco1 ZINC000044890888 415229924 /nfs/dbraw/zinc/22/99/24/415229924.db2.gz PCGUNCWSEKNNSO-NSHDSACASA-N 0 0 318.333 0.326 50 0 DCAARN C[C@@H]1COCCN1C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000044912625 415230373 /nfs/dbraw/zinc/23/03/73/415230373.db2.gz ABNPCGWWXPXZNW-LLVKDONJSA-N 0 0 301.346 0.723 50 0 DCAARN Cc1cc(CN(C)C(=O)[C@H](CC(C)C)NS(C)(=O)=O)no1 ZINC000044916669 415231976 /nfs/dbraw/zinc/23/19/76/415231976.db2.gz AVVHHTIRVGLETB-LBPRGKRZSA-N 0 0 317.411 0.905 50 0 DCAARN O=C(Nc1nc[nH]n1)c1nc(N2CCOCC2)ncc1Cl ZINC000048279813 415286145 /nfs/dbraw/zinc/28/61/45/415286145.db2.gz HOJCSJGMLOQWDB-UHFFFAOYSA-N 0 0 309.717 0.337 50 0 DCAARN C[C@@]1(C(=O)NC2CCN(CC(N)=O)CC2)CC1(Cl)Cl ZINC000048273488 415286192 /nfs/dbraw/zinc/28/61/92/415286192.db2.gz FPRVGAWIUNRCAM-NSHDSACASA-N 0 0 308.209 0.636 50 0 DCAARN CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000048262802 415287176 /nfs/dbraw/zinc/28/71/76/415287176.db2.gz WUAIDQQOEFABMX-RYUDHWBXSA-N 0 0 304.412 0.295 50 0 DCAARN Cc1ccc([C@@H](CNC(=O)Cn2cccn2)N2CCOCC2)o1 ZINC000048278946 415287415 /nfs/dbraw/zinc/28/74/15/415287415.db2.gz BFQKZHODWBUFNT-CQSZACIVSA-N 0 0 318.377 0.974 50 0 DCAARN Cc1cc(C)n(C[C@@H](C)CNC(=O)CC[C@H]2NC(=O)NC2=O)n1 ZINC000048410039 415289887 /nfs/dbraw/zinc/28/98/87/415289887.db2.gz DNOGFUGOCIWLFK-JOYOIKCWSA-N 0 0 321.381 0.240 50 0 DCAARN C[C@H](Cc1ccco1)NC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000048853101 415299511 /nfs/dbraw/zinc/29/95/11/415299511.db2.gz IARGFUCQMZSLDM-MNOVXSKESA-N 0 0 300.380 0.945 50 0 DCAARN NC(=O)[C@H]1CN(C(=O)CCCc2nc3ccccc3[nH]2)CCO1 ZINC000050854608 415315281 /nfs/dbraw/zinc/31/52/81/415315281.db2.gz KBXTWUGFNDOYHU-CYBMUJFWSA-N 0 0 316.361 0.598 50 0 DCAARN COC(=O)[C@H](C)NC(=O)N1CCC(O)(c2ccc(C)cn2)CC1 ZINC000067851342 415391134 /nfs/dbraw/zinc/39/11/34/415391134.db2.gz JIOKSGTXSDBTCE-LBPRGKRZSA-N 0 0 321.377 0.945 50 0 DCAARN CCN(CC)C(=O)N1CCN(CC(=O)NCC2CCC2)CC1 ZINC000066494048 415362910 /nfs/dbraw/zinc/36/29/10/415362910.db2.gz MNJRGFMHUSGRBA-UHFFFAOYSA-N 0 0 310.442 0.982 50 0 DCAARN CC(C)N1CCCn2nc(C(=O)N3CCN(C)C(=O)C3)cc2C1 ZINC000067676939 415381184 /nfs/dbraw/zinc/38/11/84/415381184.db2.gz ONVYHHJWMKLOIV-UHFFFAOYSA-N 0 0 319.409 0.411 50 0 DCAARN COc1cc2[nH]c(=O)c(CN3CC(O)C3)cc2c(OC)c1OC ZINC000067867173 415387751 /nfs/dbraw/zinc/38/77/51/415387751.db2.gz BRHKYTNHXJYQJW-UHFFFAOYSA-N 0 0 320.345 0.730 50 0 DCAARN CC(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000084715021 415501362 /nfs/dbraw/zinc/50/13/62/415501362.db2.gz UBAOTSKDXAKGPU-NSHDSACASA-N 0 0 324.402 0.783 50 0 DCAARN COc1ccccc1CNC(=O)CN1CCN2C(=O)NC[C@@H]2C1 ZINC000075105990 415434656 /nfs/dbraw/zinc/43/46/56/415434656.db2.gz DPMVLDBPKIKDNI-CYBMUJFWSA-N 0 0 318.377 0.021 50 0 DCAARN Cc1noc(Cl)c1CC(=O)N1CCN(C[C@H](C)O)CC1 ZINC000075131261 415438951 /nfs/dbraw/zinc/43/89/51/415438951.db2.gz XFIGNLPBXXJWOZ-VIFPVBQESA-N 0 0 301.774 0.704 50 0 DCAARN Cc1nnc(C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)s1 ZINC000075149276 415439236 /nfs/dbraw/zinc/43/92/36/415439236.db2.gz LJAOHWZDZQUDAI-UHFFFAOYSA-N 0 0 319.390 0.960 50 0 DCAARN O=C(N[C@@H]1CCSC1=O)c1ccc(N2CCOCC2)nn1 ZINC000075172735 415442632 /nfs/dbraw/zinc/44/26/32/415442632.db2.gz PYDATSZAMLFHTO-SNVBAGLBSA-N 0 0 308.363 0.075 50 0 DCAARN CNC(=O)CNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 ZINC000075286893 415442873 /nfs/dbraw/zinc/44/28/73/415442873.db2.gz INRIVMRLLOCBOJ-CYBMUJFWSA-N 0 0 303.362 0.082 50 0 DCAARN Cc1cnc(N2CCC3(C[NH2+][C@@H](C(=O)[O-])C3)CC2)nc1N(C)C ZINC000091468991 415535570 /nfs/dbraw/zinc/53/55/70/415535570.db2.gz KZXGYYUDZYCXEK-GFCCVEGCSA-N 0 0 319.409 0.884 50 0 DCAARN CC(C)c1cc(CN(C)C(=O)CN2CCC(C(N)=O)CC2)no1 ZINC000091254448 415537179 /nfs/dbraw/zinc/53/71/79/415537179.db2.gz BIVBQDLUDDLVKP-UHFFFAOYSA-N 0 0 322.409 0.954 50 0 DCAARN C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000333085952 415551513 /nfs/dbraw/zinc/55/15/13/415551513.db2.gz NCJZSQPUBRFZDK-XQHKEYJVSA-N 0 0 318.439 0.636 50 0 DCAARN O=C(NCCN1CCOC1=O)c1cnc(-c2cccnc2)nc1 ZINC000095358301 415551499 /nfs/dbraw/zinc/55/14/99/415551499.db2.gz QHKJYYRBMZQSBU-UHFFFAOYSA-N 0 0 313.317 0.721 50 0 DCAARN Cc1cccc([C@H](C(=O)NCCN2CCNC2=O)N(C)C)c1 ZINC000095385066 415560133 /nfs/dbraw/zinc/56/01/33/415560133.db2.gz DGBUESLFPBKUKN-CQSZACIVSA-N 0 0 304.394 0.739 50 0 DCAARN Cn1c(=O)cc(C(=O)N2CCC[C@H]2c2nccs2)n(C)c1=O ZINC000095531503 415563173 /nfs/dbraw/zinc/56/31/73/415563173.db2.gz NUROKABWKZLVQM-VIFPVBQESA-N 0 0 320.374 0.518 50 0 DCAARN CCN1CCCC[C@@H]1C(=O)O[C@@H](C)c1cn(CC(=O)OC)nn1 ZINC000095943927 415563950 /nfs/dbraw/zinc/56/39/50/415563950.db2.gz MWVVTGBHYBCCMR-WCQYABFASA-N 0 0 324.381 0.930 50 0 DCAARN Cn1c2ccccc2n(CN2CCC(CC(N)=O)CC2)c1=O ZINC000095953112 415565692 /nfs/dbraw/zinc/56/56/92/415565692.db2.gz BMPDERGDUFEOSM-UHFFFAOYSA-N 0 0 302.378 0.885 50 0 DCAARN COC[C@H](NC(=O)CCCNC(=O)c1ccccc1)C(=O)OC ZINC000095994590 415568430 /nfs/dbraw/zinc/56/84/30/415568430.db2.gz JOJQFFCCHVTUOG-ZDUSSCGKSA-N 0 0 322.361 0.501 50 0 DCAARN O=C(Cn1cnnn1)NCCc1nc(C(F)(F)F)cs1 ZINC000095962183 415569174 /nfs/dbraw/zinc/56/91/74/415569174.db2.gz INBRKQQLXCOJQS-UHFFFAOYSA-N 0 0 306.273 0.507 50 0 DCAARN C[C@H](Oc1ccc(OC(=O)Cc2ccn(C)n2)cc1)C(N)=O ZINC000096007359 415571511 /nfs/dbraw/zinc/57/15/11/415571511.db2.gz YULYWIOXIFSRKT-JTQLQIEISA-N 0 0 303.318 0.821 50 0 DCAARN Cn1cnc(S(=O)(=O)NC[C@H](O)c2ccc3c(c2)CCO3)c1 ZINC000096026038 415572223 /nfs/dbraw/zinc/57/22/23/415572223.db2.gz IWSQFITVESVWME-LBPRGKRZSA-N 0 0 323.374 0.367 50 0 DCAARN CC[C@@H]1CN(C(=O)[C@H](C)n2cncn2)C[C@@H]1N1CCOCC1 ZINC000107354567 415668892 /nfs/dbraw/zinc/66/88/92/415668892.db2.gz AEMWPAOUFDFZQU-MJBXVCDLSA-N 0 0 307.398 0.408 50 0 DCAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1CSc1cccc[n+]1[O-] ZINC000110133857 415687047 /nfs/dbraw/zinc/68/70/47/415687047.db2.gz RSBRPQIGPJLIHJ-SNVBAGLBSA-N 0 0 323.374 0.931 50 0 DCAARN CN(CCN1CCOCC1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000121885245 415820051 /nfs/dbraw/zinc/82/00/51/415820051.db2.gz RQXHYOABMFAYLB-ZDUSSCGKSA-N 0 0 307.398 0.241 50 0 DCAARN Cc1occc1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000337186526 415924662 /nfs/dbraw/zinc/92/46/62/415924662.db2.gz UCBUCOBLUDTVBT-UHFFFAOYSA-N 0 0 318.420 0.696 50 0 DCAARN CCCc1nc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)cs1 ZINC000299759472 416064334 /nfs/dbraw/zinc/06/43/34/416064334.db2.gz SDDBNXPDGDDVTE-VIFPVBQESA-N 0 0 317.436 0.846 50 0 DCAARN CC(=O)c1c(C)nn([C@@H](C)CC(=O)NCCn2cnnn2)c1C ZINC000299764471 416065385 /nfs/dbraw/zinc/06/53/85/416065385.db2.gz HDUVXFSJOSGHJN-VIFPVBQESA-N 0 0 319.369 0.457 50 0 DCAARN Cc1noc([C@@H]2CCN(C(=O)CSc3nncn3C)C2)n1 ZINC000299777735 416067699 /nfs/dbraw/zinc/06/76/99/416067699.db2.gz HRUOEUIHXKEGOW-SECBINFHSA-N 0 0 308.367 0.615 50 0 DCAARN Cc1nnc(CN2CCC(C(=O)N3CCOCC3)CC2)s1 ZINC000299792101 416068754 /nfs/dbraw/zinc/06/87/54/416068754.db2.gz FKQKMAQXOVBONN-UHFFFAOYSA-N 0 0 310.423 0.917 50 0 DCAARN CCn1cnnc1CN1CC[C@]2(OC)CC[C@@H](OCCO)C[C@H]12 ZINC000299793072 416069917 /nfs/dbraw/zinc/06/99/17/416069917.db2.gz IKKLQRMXUDNXHJ-IJEWVQPXSA-N 0 0 324.425 0.819 50 0 DCAARN CN(Cc1ccoc1)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000299802460 416071178 /nfs/dbraw/zinc/07/11/78/416071178.db2.gz WROUJBMDSWPHDK-LBPRGKRZSA-N 0 0 300.380 0.357 50 0 DCAARN Cn1c(=O)[nH]cc(CCNc2cc([C@H]3CCOC3)ncn2)c1=O ZINC000299796786 416071927 /nfs/dbraw/zinc/07/19/27/416071927.db2.gz QNPWZISXVZNGQE-NSHDSACASA-N 0 0 317.349 0.434 50 0 DCAARN COC(=O)[C@H](Cc1ccc(N2CCOCC2)cc1)NC(C)=O ZINC000169620364 416026429 /nfs/dbraw/zinc/02/64/29/416026429.db2.gz CASYLQXBOISREB-HNNXBMFYSA-N 0 0 306.362 0.743 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](O)C2)C1 ZINC000345346360 416081122 /nfs/dbraw/zinc/08/11/22/416081122.db2.gz PMVHHYYBGIVNRT-VXGBXAGGSA-N 0 0 304.412 0.031 50 0 DCAARN CNC(=O)[C@@H](CO)NC(=O)C(C)(C)c1ccc(Cl)cc1F ZINC000191027786 416283640 /nfs/dbraw/zinc/28/36/40/416283640.db2.gz OHIQVRQALDCOJZ-LLVKDONJSA-N 0 0 316.760 0.980 50 0 DCAARN Cc1ccc(-c2nn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c(=S)o2)cc1 ZINC000248059818 416333103 /nfs/dbraw/zinc/33/31/03/416333103.db2.gz CWTKYAHLAKELJQ-MPPDQPJWSA-N 0 0 324.358 0.793 50 0 DCAARN COC(=O)c1cn(C[C@H](O)COC(C)C)cc2c(=O)[nH]nc1-2 ZINC000263587351 416338487 /nfs/dbraw/zinc/33/84/87/416338487.db2.gz FZOFRYBIKJLZCW-VIFPVBQESA-N 0 0 309.322 0.249 50 0 DCAARN O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@H](OCc2ccccn2)C1 ZINC000215307740 416327113 /nfs/dbraw/zinc/32/71/13/416327113.db2.gz FCPLUUNSPLKNPX-LBPRGKRZSA-N 0 0 302.334 0.919 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000215251480 416327207 /nfs/dbraw/zinc/32/72/07/416327207.db2.gz UMIXCCAZJYODJA-QWRGUYRKSA-N 0 0 315.370 0.025 50 0 DCAARN Cc1nnc(CCNC(=O)CSc2nnc(N)s2)s1 ZINC000215118681 416327215 /nfs/dbraw/zinc/32/72/15/416327215.db2.gz MOUGQMYRIQFOLH-UHFFFAOYSA-N 0 0 316.437 0.731 50 0 DCAARN O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1cnccn1 ZINC000216344056 416327469 /nfs/dbraw/zinc/32/74/69/416327469.db2.gz XHRWIGPWVBBJLS-UHFFFAOYSA-N 0 0 319.365 0.123 50 0 DCAARN Cc1cc2nc(CNC(=O)C[C@@H]3NC(=O)NC3=O)cn2c(C)c1 ZINC000216360585 416327481 /nfs/dbraw/zinc/32/74/81/416327481.db2.gz JWDYALTVMXDFCJ-NSHDSACASA-N 0 0 315.333 0.165 50 0 DCAARN O=C(NCc1ccccc1Cn1cccn1)[C@H]1COCCN1 ZINC000238033666 416329407 /nfs/dbraw/zinc/32/94/07/416329407.db2.gz OBIWIXIFFBETPM-OAHLLOKOSA-N 0 0 300.362 0.536 50 0 DCAARN O=C(NCc1ccccc1Cn1cccn1)[C@@H]1COCCN1 ZINC000238033345 416329433 /nfs/dbraw/zinc/32/94/33/416329433.db2.gz OBIWIXIFFBETPM-HNNXBMFYSA-N 0 0 300.362 0.536 50 0 DCAARN O=C([O-])C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000238159189 416329871 /nfs/dbraw/zinc/32/98/71/416329871.db2.gz DMIDLNSMYPTPAH-LLVKDONJSA-N 0 0 316.354 0.653 50 0 DCAARN CN1C[C@@H](C(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)CC1=O ZINC000240178581 416329944 /nfs/dbraw/zinc/32/99/44/416329944.db2.gz ZBBPAONJDOIIKC-AVGNSLFASA-N 0 0 318.377 0.761 50 0 DCAARN CCO[C@@H]1C[C@@H](NC(=O)NCc2nnc3n2CCC3)[C@H]1OC ZINC000242346854 416330285 /nfs/dbraw/zinc/33/02/85/416330285.db2.gz ZJQVNNCSHSUDNH-GIPNMCIBSA-N 0 0 309.370 0.216 50 0 DCAARN O=C(NC[C@@]1(O)CCSC1)[C@@H]1COCCN1C1CCCC1 ZINC000241719843 416330430 /nfs/dbraw/zinc/33/04/30/416330430.db2.gz QQBLCDOEBTYESG-ZFWWWQNUSA-N 0 0 314.451 0.614 50 0 DCAARN COC(=O)[C@H](C)N(Cc1ccc(S(N)(=O)=O)o1)C1CCC1 ZINC000583652018 416481474 /nfs/dbraw/zinc/48/14/74/416481474.db2.gz YFSHYLDKZBXMSI-VIFPVBQESA-N 0 0 316.379 0.843 50 0 DCAARN COC(=O)C1CCN(C(=O)C(=O)Nc2cncc(C)c2)CC1 ZINC000361980396 416540402 /nfs/dbraw/zinc/54/04/02/416540402.db2.gz ATYPWKASCIWBPK-UHFFFAOYSA-N 0 0 305.334 0.740 50 0 DCAARN CCOC(=O)C[C@H](NC(=O)[C@]1(C)CCC(=O)NC1)C(F)(F)F ZINC000585113611 416518908 /nfs/dbraw/zinc/51/89/08/416518908.db2.gz QVSUXUHJZDJUKA-QPUJVOFHSA-N 0 0 324.299 0.903 50 0 DCAARN CC[C@@H]1C(=O)NCCN1c1ncc(F)c(NCC(F)F)n1 ZINC000585139196 416520368 /nfs/dbraw/zinc/52/03/68/416520368.db2.gz PTEYEYJDGCBPRL-MRVPVSSYSA-N 0 0 303.288 1.008 50 0 DCAARN OC1CN(c2nc(NC3CCOCC3)cc([C@@H]3CCOC3)n2)C1 ZINC000426370887 416761423 /nfs/dbraw/zinc/76/14/23/416761423.db2.gz AKVZPVJCYRSRAP-LLVKDONJSA-N 0 0 320.393 0.752 50 0 DCAARN Nc1nc(NCCSc2c[nH]nn2)cc([C@@H]2CCOC2)n1 ZINC000426546224 416774457 /nfs/dbraw/zinc/77/44/57/416774457.db2.gz PKMISWHMBRFIRN-MRVPVSSYSA-N 0 0 307.383 0.307 50 0 DCAARN CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NC[C@H]2CCCO2)C1 ZINC000624148346 416967802 /nfs/dbraw/zinc/96/78/02/416967802.db2.gz BHLDLMYEBVSUIZ-VXGBXAGGSA-N 0 0 319.427 0.136 50 0 DCAARN CCOC[C@@H]1CN(C(=O)NC[C@@H]2CCN(C)C(=O)C2)CCO1 ZINC000528027759 417294863 /nfs/dbraw/zinc/29/48/63/417294863.db2.gz RXTHYLTXJVOJPH-OLZOCXBDSA-N 0 0 313.398 0.302 50 0 DCAARN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)O1 ZINC000527542968 417253081 /nfs/dbraw/zinc/25/30/81/417253081.db2.gz RRLZRBYIGBNATI-VHDGCEQUSA-N 0 0 323.437 0.470 50 0 DCAARN O=C([C@@H]1CCC(=O)N1)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575607001 417538632 /nfs/dbraw/zinc/53/86/32/417538632.db2.gz HUHXHNNSWHNLKN-ZDUSSCGKSA-N 0 0 315.377 0.281 50 0 DCAARN CCCS(=O)(=O)N1CCC(F)(C(=O)NCCOC)CC1 ZINC000575557074 417540138 /nfs/dbraw/zinc/54/01/38/417540138.db2.gz UXAYEMSYVHCPNS-UHFFFAOYSA-N 0 0 310.391 0.293 50 0 DCAARN O=C(c1ccc2c(c1)OCO2)N1CC(CN2C(=O)COC2=O)C1 ZINC000575617196 417540597 /nfs/dbraw/zinc/54/05/97/417540597.db2.gz TZWXOOVMGPKXJY-UHFFFAOYSA-N 0 0 318.285 0.466 50 0 DCAARN Cn1cccc(C(=O)NCCn2nc(C3CC3)ccc2=O)c1=O ZINC000575609605 417541717 /nfs/dbraw/zinc/54/17/17/417541717.db2.gz XUABMZKRBCZDJS-UHFFFAOYSA-N 0 0 314.345 0.249 50 0 DCAARN C[C@@H](C(=O)NCCn1cccc1)n1nc2c(cc1=O)CCC2 ZINC000575620920 417542088 /nfs/dbraw/zinc/54/20/88/417542088.db2.gz UMBMSFYZAVYXFF-LBPRGKRZSA-N 0 0 300.362 0.911 50 0 DCAARN CCC(=O)NC1CCN(c2cnn(CCOC)c(=O)c2)CC1 ZINC000169681337 545879935 /nfs/dbraw/zinc/87/99/35/545879935.db2.gz CDAUSUATUMLAHK-UHFFFAOYSA-N 0 0 308.382 0.385 50 0 DCAARN COCCOc1cccc(C(=O)N2CC(N3CC[C@@H](O)C3)C2)c1 ZINC000652888346 417987078 /nfs/dbraw/zinc/98/70/78/417987078.db2.gz DHPYFMPHAGCDKK-OAHLLOKOSA-N 0 0 320.389 0.603 50 0 DCAARN CC[C@H](NC(=O)N1CCN(c2nncn2C)CC1)C(F)F ZINC000656115845 418328466 /nfs/dbraw/zinc/32/84/66/418328466.db2.gz GQAVLPQPSKNELI-VIFPVBQESA-N 0 0 302.329 0.690 50 0 DCAARN CN(C)c1cc(C(=O)N2C[C@@H](O)[C@H](CO)C2)c2ccccc2n1 ZINC000424061971 271396574 /nfs/dbraw/zinc/39/65/74/271396574.db2.gz UNSAIJXQPCQQJJ-XHDPSFHLSA-N 0 0 315.373 0.726 50 0 DCAARN CCOC[C@@H]1CN(C(=O)Nc2cnc(N(C)C)nc2)CCO1 ZINC000529027180 272669732 /nfs/dbraw/zinc/66/97/32/272669732.db2.gz BNXWTYHMNPHNPU-LBPRGKRZSA-N 0 0 309.370 0.812 50 0 DCAARN Cc1nn(-c2ccc3nncn3n2)c(N)c1[C@H](O)C(F)(F)F ZINC000101411438 275925945 /nfs/dbraw/zinc/92/59/45/275925945.db2.gz SEJHFNLJHCELOP-IUCAKERBSA-N 0 0 313.243 0.837 50 0 DCAARN CCCn1c2c(nc1N1CCCCC1)n(C)c(=O)n(C)c2=O ZINC000000351104 276058382 /nfs/dbraw/zinc/05/83/82/276058382.db2.gz NTIREPJISVYPBD-UHFFFAOYSA-N 0 0 305.382 0.834 50 0 DCAARN CC(C)=CCN1CCN(Cc2c[nH]cn2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072438639 277324784 /nfs/dbraw/zinc/32/47/84/277324784.db2.gz XHUSUTZSUHRNGI-CABCVRRESA-N 0 0 324.450 0.659 50 0 DCAARN COC(=O)c1cc2occc2n1C[C@H](O)CN1CCOCC1 ZINC000025758189 277425374 /nfs/dbraw/zinc/42/53/74/277425374.db2.gz PUSYXRLDKZFDPR-LLVKDONJSA-N 0 0 308.334 0.714 50 0 DCAARN CC(C)NC(=O)NC(=O)[C@H](C)N1CCN([C@@H]2CCOC2)CC1 ZINC000089885270 277657067 /nfs/dbraw/zinc/65/70/67/277657067.db2.gz LYTLRHCRUYQJOK-QWHCGFSZSA-N 0 0 312.414 0.016 50 0 DCAARN CC(=O)NCCCOC(=O)[C@H]1CCCN1C(=O)c1ccco1 ZINC000078442872 278103408 /nfs/dbraw/zinc/10/34/08/278103408.db2.gz CYWFPOUDPVUNNP-GFCCVEGCSA-N 0 0 308.334 0.954 50 0 DCAARN CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1ccccc1F ZINC000004917143 278140274 /nfs/dbraw/zinc/14/02/74/278140274.db2.gz CSPZLAAMNPPMJO-LBPRGKRZSA-N 0 0 316.354 0.704 50 0 DCAARN CC1(C)C(=O)NCCN1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000021009514 278177326 /nfs/dbraw/zinc/17/73/26/278177326.db2.gz QTPTYDBSICCIKM-UHFFFAOYSA-N 0 0 315.329 0.020 50 0 DCAARN CC(=O)[C@@H]1[C@@H](c2ccncc2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000004057548 278232328 /nfs/dbraw/zinc/23/23/28/278232328.db2.gz QOZFGMFRFZUXQD-FXPVBKGRSA-N 0 0 303.240 0.892 50 0 DCAARN CC1(C)CN(C(=O)c2cnc(N3CCOCC3)nc2)C[C@]1(C)O ZINC000091433938 278326159 /nfs/dbraw/zinc/32/61/59/278326159.db2.gz FZSCVUUCMRNTMK-INIZCTEOSA-N 0 0 320.393 0.546 50 0 DCAARN C[C@@H]1CCCCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000032778291 278456078 /nfs/dbraw/zinc/45/60/78/278456078.db2.gz OQBJSSBYYMSEHF-SNVBAGLBSA-N 0 0 316.361 0.647 50 0 DCAARN Cc1cc(C)n(-c2nc(N(C)C)nc(N3CCOCC3)n2)n1 ZINC000000528451 278677838 /nfs/dbraw/zinc/67/78/38/278677838.db2.gz QERMLHVWIRJCGR-UHFFFAOYSA-N 0 0 303.370 0.577 50 0 DCAARN CC(C)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCc2cncn2C1 ZINC000408523087 279008031 /nfs/dbraw/zinc/00/80/31/279008031.db2.gz ORUGOLSWZHUIDQ-TZMCWYRMSA-N 0 0 304.394 0.819 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)NC(=O)C[C@H]2c1cc(F)ccc1F ZINC000021366695 279302483 /nfs/dbraw/zinc/30/24/83/279302483.db2.gz JGEDTFPEZHAWQR-VIFPVBQESA-N 0 0 321.283 0.836 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)NCN(C1Cc3ccccc3C1)C2 ZINC000000070235 279302519 /nfs/dbraw/zinc/30/25/19/279302519.db2.gz YKULQHJCASOKEV-UHFFFAOYSA-N 0 0 312.373 0.436 50 0 DCAARN CC(C)[C@@H](NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(N)=O ZINC000069844421 279882534 /nfs/dbraw/zinc/88/25/34/279882534.db2.gz PUMQJBXNRUZVRU-NTZNESFSSA-N 0 0 323.393 0.178 50 0 DCAARN C[C@H](O)CN1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000071877431 290115602 /nfs/dbraw/zinc/11/56/02/290115602.db2.gz LRYZNOTXXUKNOG-GOEBONIOSA-N 0 0 305.422 0.814 50 0 DCAARN Cc1oncc1C(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000217734477 294062958 /nfs/dbraw/zinc/06/29/58/294062958.db2.gz BSSCFSJFUBFADH-VXGBXAGGSA-N 0 0 315.329 0.759 50 0 DCAARN COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C)C3)cc1OC ZINC000004854760 295227787 /nfs/dbraw/zinc/22/77/87/295227787.db2.gz LXZIUKBDDPDSDE-ZDUSSCGKSA-N 0 0 303.318 0.784 50 0 biogenic DCAARN C[C@H]1CN(C(=O)[C@@H]2CCCN2C2CC2)CCS(=O)(=O)C1 ZINC000330224156 300165890 /nfs/dbraw/zinc/16/58/90/300165890.db2.gz NNGIBPFYYWNXSQ-AAEUAGOBSA-N 0 0 300.424 0.506 50 0 DCAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NC(C)C)[C@H]4C2=O)no1 ZINC000009184085 301343790 /nfs/dbraw/zinc/34/37/90/301343790.db2.gz RCKHCDWBFREXRZ-QOFRNUMZSA-N 0 0 317.345 0.794 50 0 DCAARN Cc1cccc(C)c1-n1nnnc1CN(CC(N)=O)C(C)C ZINC000071821730 301962624 /nfs/dbraw/zinc/96/26/24/301962624.db2.gz BUCYRPCMTZQQDZ-UHFFFAOYSA-N 0 0 302.382 0.975 50 0 DCAARN Cc1noc([C@H]2CCCN(C(=O)N[C@H](C)Cn3cncn3)C2)n1 ZINC000332728929 332858772 /nfs/dbraw/zinc/85/87/72/332858772.db2.gz WMGHMJDKXVQOMQ-PWSUYJOCSA-N 0 0 319.369 0.947 50 0 DCAARN Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1-c1ccccc1O ZINC000006040820 331493821 /nfs/dbraw/zinc/49/38/21/331493821.db2.gz ZDUKVBLNIJFGMO-UHFFFAOYSA-N 0 0 311.301 0.679 50 0 DCAARN CC[C@@H](C(=O)NCCn1ccnn1)N1Cc2ccccc2C1=O ZINC000534585536 334291939 /nfs/dbraw/zinc/29/19/39/334291939.db2.gz RMDIQQZQZRUWNZ-AWEZNQCLSA-N 0 0 313.361 0.829 50 0 DCAARN O=C([O-])CC[NH+]1CCN(Cc2cccc(OCCO)c2)CC1 ZINC000534630863 334307610 /nfs/dbraw/zinc/30/76/10/334307610.db2.gz NLUOACWBTPDWPA-UHFFFAOYSA-N 0 0 308.378 0.650 50 0 DCAARN CCOc1ccc(S(=O)(=O)N[C@H]2CN(C)C[C@@H]2OC)cc1 ZINC000534633636 334308587 /nfs/dbraw/zinc/30/85/87/334308587.db2.gz LNVXQLCPPPRSNA-KBPBESRZSA-N 0 0 314.407 0.693 50 0 DCAARN Cn1nc2c(c1C(=O)N[C@@H]1CC=CC[C@H]1C(N)=O)CCCC2 ZINC000534634298 334308670 /nfs/dbraw/zinc/30/86/70/334308670.db2.gz UUQPILJLRBVYED-VXGBXAGGSA-N 0 0 302.378 0.849 50 0 DCAARN CCCN(Cc1nccn1C)C(=O)NCCc1ncnn1C ZINC000534640378 334311036 /nfs/dbraw/zinc/31/10/36/334311036.db2.gz GPVDOTIXXSGKQM-UHFFFAOYSA-N 0 0 305.386 0.713 50 0 DCAARN CCO[C@H]1COC[C@@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000534640762 334311108 /nfs/dbraw/zinc/31/11/08/334311108.db2.gz HCMUKTFNOPDYPA-RYUDHWBXSA-N 0 0 303.318 0.457 50 0 DCAARN Cn1nccc1CCC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000534664796 334318378 /nfs/dbraw/zinc/31/83/78/334318378.db2.gz HCDOIMORFUQMCC-GJZGRUSLSA-N 0 0 306.410 0.722 50 0 DCAARN O=C(NCCc1ncc[nH]1)N1CCCN(C(=O)C2CCC2)CC1 ZINC000534670866 334320255 /nfs/dbraw/zinc/32/02/55/334320255.db2.gz RBVHQCRAQCMYMS-UHFFFAOYSA-N 0 0 319.409 0.996 50 0 DCAARN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)n(C)n1 ZINC000190759426 336818132 /nfs/dbraw/zinc/81/81/32/336818132.db2.gz CDNJIAQPUIPRNO-GFCCVEGCSA-N 0 0 316.365 0.555 50 0 DCAARN CC(=O)N[C@H]1CCCN(C(=O)CN(C)Cc2nccs2)C1 ZINC000175068111 341834236 /nfs/dbraw/zinc/83/42/36/341834236.db2.gz ZVEKAALOLOXYNJ-LBPRGKRZSA-N 0 0 310.423 0.702 50 0 DCAARN COc1ccccc1CCN(C)C(=O)CCNS(C)(=O)=O ZINC000171530659 534031201 /nfs/dbraw/zinc/03/12/01/534031201.db2.gz FJVZJQVVVUIVCH-UHFFFAOYSA-N 0 0 314.407 0.635 50 0 DCAARN O=C(CCCn1cccn1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299762933 534391288 /nfs/dbraw/zinc/39/12/88/534391288.db2.gz DQFMAHUELROLCB-KBPBESRZSA-N 0 0 316.365 0.627 50 0 DCAARN C[C@@H]1CCN(C(=O)NCCOCCS(C)(=O)=O)C[C@H]1C ZINC000128524981 524462472 /nfs/dbraw/zinc/46/24/72/524462472.db2.gz LNJGVEYEVRWFGD-VXGBXAGGSA-N 0 0 306.428 0.735 50 0 DCAARN C[C@H](NC(=O)Cn1cc(F)ccc1=O)C(=O)N1CCCCC1 ZINC000190733345 524993865 /nfs/dbraw/zinc/99/38/65/524993865.db2.gz BEQGTUDVHQDZCB-NSHDSACASA-N 0 0 309.341 0.505 50 0 DCAARN O=S(=O)(NC[C@]1(O)CCOC1)c1cccc2c1N=S=N2 ZINC000229632826 527229585 /nfs/dbraw/zinc/22/95/85/527229585.db2.gz GBDARRNQFRNMBO-LLVKDONJSA-N 0 0 315.376 0.843 50 0 DCAARN Cn1cccc1[C@@H]1CCCN1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000245785487 527404178 /nfs/dbraw/zinc/40/41/78/527404178.db2.gz SXGXWYLDUNNEPT-UBHSHLNASA-N 0 0 320.393 0.905 50 0 DCAARN CCOC(=O)CCNC(=O)NCCn1ccc2ccoc2c1=O ZINC000238832670 528732342 /nfs/dbraw/zinc/73/23/42/528732342.db2.gz GHDOOQMPZPOCBB-UHFFFAOYSA-N 0 0 321.333 0.847 50 0 DCAARN COc1ccnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000065624063 537118334 /nfs/dbraw/zinc/11/83/34/537118334.db2.gz CMUIUDMKIDEVFX-ZDUSSCGKSA-N 0 0 319.409 0.618 50 0 DCAARN CNc1nccc(N2CCC(CC(=O)N3CCOCC3)CC2)n1 ZINC000065282067 545659840 /nfs/dbraw/zinc/65/98/40/545659840.db2.gz QVVNSEUEUWYRMT-UHFFFAOYSA-N 0 0 319.409 0.984 50 0 DCAARN O=C(Cn1ccnc1-c1ccccc1)N1CCOC[C@H](O)C1 ZINC000077299953 545679138 /nfs/dbraw/zinc/67/91/38/545679138.db2.gz DABDMBLIPQMWPQ-CQSZACIVSA-N 0 0 301.346 0.770 50 0 DCAARN CN(C(=O)c1cc2c([nH]c1=O)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000083855729 545698492 /nfs/dbraw/zinc/69/84/92/545698492.db2.gz BTZDYYVGYIJIOK-SNVBAGLBSA-N 0 0 310.375 0.123 50 0 DCAARN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC1(c2ccccc2F)CC1 ZINC000189062067 545919254 /nfs/dbraw/zinc/91/92/54/545919254.db2.gz SINIGJUDFXCKDM-BXUZGUMPSA-N 0 0 306.337 0.913 50 0 DCAARN Cc1nc(CNC(=O)CN2CCC[C@@H](O)C2)nc2c1CCCC2 ZINC000215794411 545937708 /nfs/dbraw/zinc/93/77/08/545937708.db2.gz AMPVMGBMQHYPBX-CYBMUJFWSA-N 0 0 318.421 0.737 50 0 DCAARN Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2ccncc2F)C1 ZINC000222633808 545941216 /nfs/dbraw/zinc/94/12/16/545941216.db2.gz GVWGBUNOEYAUCI-DTORHVGOSA-N 0 0 305.313 0.518 50 0 DCAARN Cc1ccnc(NC(=O)CCC(=O)N[C@H]2CC(=O)N(C)C2)c1 ZINC000670441032 547090695 /nfs/dbraw/zinc/09/06/95/547090695.db2.gz DUISLVLMKVQDCF-NSHDSACASA-N 0 0 304.350 0.456 50 0 DCAARN CN1CCN(C)[C@@H](CNC(=O)c2cccc3c2CCC3=O)C1 ZINC000670442514 547092099 /nfs/dbraw/zinc/09/20/99/547092099.db2.gz FAZINHBENLEPIX-LBPRGKRZSA-N 0 0 301.390 0.791 50 0 DCAARN O=C(CCN1CCCCCC1=O)NC1CCS(=O)(=O)CC1 ZINC000670442360 547092863 /nfs/dbraw/zinc/09/28/63/547092863.db2.gz CCZRIFGJYMNDSS-UHFFFAOYSA-N 0 0 316.423 0.473 50 0 DCAARN CN1CCN(S(=O)(=O)c2ccccc2F)C[C@@H]1CCO ZINC000670448450 547094638 /nfs/dbraw/zinc/09/46/38/547094638.db2.gz SYYVKLZFMPMUAP-NSHDSACASA-N 0 0 302.371 0.513 50 0 DCAARN CCCn1cnnc1CNS(=O)(=O)N1CCC[C@@H]1COC ZINC000670446517 547095123 /nfs/dbraw/zinc/09/51/23/547095123.db2.gz XYSHECMQMUJBAX-LLVKDONJSA-N 0 0 317.415 0.133 50 0 DCAARN CN1C(=O)N(C)C2(CCN(c3ncnc4nc[nH]c43)CC2)C1=O ZINC000670461621 547099351 /nfs/dbraw/zinc/09/93/51/547099351.db2.gz MVJUMUAFZWSTCU-UHFFFAOYSA-N 0 0 315.337 0.216 50 0 DCAARN CN1C(=O)[C@@H]2CCC[C@H]1CN(C(=O)Cn1ccccc1=O)C2 ZINC000670468190 547100448 /nfs/dbraw/zinc/10/04/48/547100448.db2.gz VBNZOABQESLQKN-OLZOCXBDSA-N 0 0 303.362 0.318 50 0 DCAARN CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2cnn(C)c2N)cn1 ZINC000685942481 548747579 /nfs/dbraw/zinc/74/75/79/548747579.db2.gz ROCVXXFQFCJYSQ-QWHCGFSZSA-N 0 0 318.381 0.949 50 0 DCAARN COC1(CC(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)CCC1 ZINC000685942674 548747937 /nfs/dbraw/zinc/74/79/37/548747937.db2.gz LJFJVFFXTTXEKZ-YNEHKIRRSA-N 0 0 322.409 0.745 50 0 DCAARN Cc1c(CCC(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)cnn1C ZINC000685942744 548748299 /nfs/dbraw/zinc/74/82/99/548748299.db2.gz VCHFQSWLHAYPFD-UONOGXRCSA-N 0 0 319.365 0.347 50 0 DCAARN CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)C2CN(C(C)=O)C2)cn1 ZINC000685942561 548748336 /nfs/dbraw/zinc/74/83/36/548748336.db2.gz SSRNDNBDMKYOHV-LSDHHAIUSA-N 0 0 320.393 0.797 50 0 DCAARN CCOC(=O)c1cnc(N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)nc1C ZINC000685944852 548748808 /nfs/dbraw/zinc/74/88/08/548748808.db2.gz DJYNUJXROSRVGW-JHJVBQTASA-N 0 0 317.349 0.945 50 0 DCAARN Cc1ccsc1[C@H](O)CNS(=O)(=O)c1cnn(C)c1 ZINC000206699574 563634892 /nfs/dbraw/zinc/63/48/92/563634892.db2.gz MSGHOGKCHCDRTG-SNVBAGLBSA-N 0 0 301.393 0.802 50 0 DCAARN Cc1nccn1CC[N@@H+](C)CCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000244795694 660602361 /nfs/dbraw/zinc/60/23/61/660602361.db2.gz RLYIFXLCFYHJJU-UHFFFAOYSA-N 0 0 322.409 0.837 50 0 DCAARN COCCCNC(=O)[C@H](C)N1CCN(Cc2cnccn2)CC1 ZINC000888095409 661166773 /nfs/dbraw/zinc/16/67/73/661166773.db2.gz BPLWJIPFTSAJMF-AWEZNQCLSA-N 0 0 321.425 0.135 50 0 DCAARN CCO[C@H]1C[C@@H](NC(=O)NN2CCCC2=O)C12CCOCC2 ZINC000888097243 661176440 /nfs/dbraw/zinc/17/64/40/661176440.db2.gz AGVOITLSTPJMPH-NEPJUHHUSA-N 0 0 311.382 0.797 50 0 DCAARN O=C(NCc1nnc2n1CCC2)c1n[nH]c(=O)c2ccccc21 ZINC000022191047 657821488 /nfs/dbraw/zinc/82/14/88/657821488.db2.gz CJCXDOSKNQNNOP-UHFFFAOYSA-N 0 0 310.317 0.391 50 0 DCAARN CN(C)c1ccc(CC(=O)NCCCN2CCNC(=O)C2)cc1 ZINC000299771785 659640229 /nfs/dbraw/zinc/64/02/29/659640229.db2.gz UMJUHLUDZAYNKR-UHFFFAOYSA-N 0 0 318.421 0.233 50 0 DCAARN Cc1nccn1CCC[N@@H+]1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1 ZINC000299772262 659640700 /nfs/dbraw/zinc/64/07/00/659640700.db2.gz ULHHVDDSXRMWJS-QWHCGFSZSA-N 0 0 318.381 0.890 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)NCc2conc2C)cn1 ZINC000585087730 661464795 /nfs/dbraw/zinc/46/47/95/661464795.db2.gz LPKSUXMYXFJNCK-UHFFFAOYSA-N 0 0 310.335 0.216 50 0 DCAARN O=C(NCCCc1nnn[n-]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000426734185 661704076 /nfs/dbraw/zinc/70/40/76/661704076.db2.gz XWLGGTSOXQEOMR-GFCCVEGCSA-N 0 0 307.402 0.402 50 0 DCAARN O=C(CCCN1CCCCC1=O)N1CCC[C@@](O)(CO)CC1 ZINC000952974505 665835675 /nfs/dbraw/zinc/83/56/75/665835675.db2.gz WSYHDHSFHRMFNG-INIZCTEOSA-N 0 0 312.410 0.515 50 0 DCAARN Cn1nccc1C(=O)CN1C(=O)N[C@](C)(c2cccnc2)C1=O ZINC000848433314 664746571 /nfs/dbraw/zinc/74/65/71/664746571.db2.gz JUENDYQOFVSZHG-OAHLLOKOSA-N 0 0 313.317 0.465 50 0 DCAARN CCNC(=O)CN(CC)c1cc(N2CCC[C@H](CO)C2)ncn1 ZINC000152997467 664786976 /nfs/dbraw/zinc/78/69/76/664786976.db2.gz MXWNJCTVXHLDGH-ZDUSSCGKSA-N 0 0 321.425 0.648 50 0 DCAARN O=C(NCc1ccc(N2CCCC2)nc1)N1CCOCCN1 ZINC000874435513 665174861 /nfs/dbraw/zinc/17/48/61/665174861.db2.gz VVSBFDPDTQYBIM-UHFFFAOYSA-N 0 0 305.382 0.728 50 0 DCAARN Cc1nnc(CNC[C@]2(O)CCCN(CC(C)(C)C)C2=O)[nH]1 ZINC000012387529 666580311 /nfs/dbraw/zinc/58/03/11/666580311.db2.gz QOIAXLVUPFNTDC-OAHLLOKOSA-N 0 0 309.414 0.602 50 0 DCAARN CN(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000105598974 668137000 /nfs/dbraw/zinc/13/70/00/668137000.db2.gz FBUHIOGVAISUMG-CYBMUJFWSA-N 0 0 301.350 0.978 50 0 DCAARN Cc1cc(=O)cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)o1 ZINC000220254552 669778234 /nfs/dbraw/zinc/77/82/34/669778234.db2.gz PTCKRJJMIHYIJY-SLBVQIDZSA-N 0 0 318.373 0.930 50 0 DCAARN CC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cccnn2)CC1 ZINC000195042316 670466529 /nfs/dbraw/zinc/46/65/29/670466529.db2.gz OSXAMGFNZPSPFI-ZDUSSCGKSA-N 0 0 303.366 0.136 50 0 DCAARN Nc1nc2c(c(C(=O)NCCCn3ccnn3)n1)CCCC2 ZINC000952990569 685602528 /nfs/dbraw/zinc/60/25/28/685602528.db2.gz WETPMZHEWMMOPG-UHFFFAOYSA-N 0 0 301.354 0.349 50 0 DCAARN Cc1noc([C@@H]2CCCN2C(=O)[C@H]2CCCN(CC(N)=O)C2)n1 ZINC000952990929 685602552 /nfs/dbraw/zinc/60/25/52/685602552.db2.gz MZJTUMKYWACOQI-RYUDHWBXSA-N 0 0 321.381 0.239 50 0 DCAARN NC(=O)CN1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccccn2)C1 ZINC000952971728 685599970 /nfs/dbraw/zinc/59/99/70/685599970.db2.gz XQXBTBUJBUTISY-UKRRQHHQSA-N 0 0 316.405 0.942 50 0 DCAARN C[C@@H]1NC(=O)[C@H]2CN(C(=O)OCc3ccccc3)CCN2C1=O ZINC000014531141 685047909 /nfs/dbraw/zinc/04/79/09/685047909.db2.gz UYAKECPNRAGLIF-WCQYABFASA-N 0 0 317.345 0.354 50 0 DCAARN CC(C)[C@H]1NC(=O)[C@H]2CN(CCc3ccccc3)CCN2C1=O ZINC000014750593 685049039 /nfs/dbraw/zinc/04/90/39/685049039.db2.gz NZXXBQSVCMHTCC-HZPDHXFCSA-N 0 0 315.417 0.896 50 0 DCAARN Nc1cc(C(=O)NCc2cccnc2N2CCOCC2)ccn1 ZINC000014965478 685049848 /nfs/dbraw/zinc/04/98/48/685049848.db2.gz KNSBKQJRSCWYFK-UHFFFAOYSA-N 0 0 313.361 0.825 50 0 DCAARN CC1=C(C(=O)N(CCO)Cc2ccccc2)[C@H](C)NC(=O)N1 ZINC000065465319 685063828 /nfs/dbraw/zinc/06/38/28/685063828.db2.gz TXWZXPCENBPRDQ-NSHDSACASA-N 0 0 303.362 0.983 50 0 DCAARN CN(C[C@H]1COCCO1)c1nccc(N2CCC(O)CC2)n1 ZINC000065405290 685064852 /nfs/dbraw/zinc/06/48/52/685064852.db2.gz SNCYHKMWQIYHKP-ZDUSSCGKSA-N 0 0 308.382 0.289 50 0 DCAARN Nc1nc2c(c(C(=O)N(CCO)Cc3ncc[nH]3)n1)CCCC2 ZINC001772700564 1157841052 /nfs/dbraw/zinc/84/10/52/1157841052.db2.gz ACMNGUMUEPQWHP-UHFFFAOYSA-N 0 0 316.365 0.295 50 0 DCAARN CCOc1ncccc1C(=O)NC[C@@H]1Cc2nnc(C)n2C1 ZINC001772706189 1157843277 /nfs/dbraw/zinc/84/32/77/1157843277.db2.gz MFXCZJDWNVYFGB-NSHDSACASA-N 0 0 301.350 0.983 50 0 DCAARN CCc1cnc(N)nc1N1CCC(C(=O)N[C@@H](C)COC)CC1 ZINC001772706237 1157845504 /nfs/dbraw/zinc/84/55/04/1157845504.db2.gz IHRQECKYQKRBSQ-NSHDSACASA-N 0 0 321.425 0.989 50 0 DCAARN O=C(CCCN1CCCCC1=O)N1CCC([C@@H](O)CO)CC1 ZINC001772707691 1157846235 /nfs/dbraw/zinc/84/62/35/1157846235.db2.gz UFSYOKHWANOMCL-AWEZNQCLSA-N 0 0 312.410 0.371 50 0 DCAARN O=C(Cn1cc2ccccc2n1)N1CCC([C@H](O)CO)CC1 ZINC001772708647 1157846512 /nfs/dbraw/zinc/84/65/12/1157846512.db2.gz JXBMWGAUMLCOLQ-OAHLLOKOSA-N 0 0 303.362 0.628 50 0 DCAARN COC(=O)N[C@H](C)C(=O)N1CCCN(C(=O)c2ccoc2)CC1 ZINC001772711565 1157848655 /nfs/dbraw/zinc/84/86/55/1157848655.db2.gz ZLPALGBYGJUJCE-LLVKDONJSA-N 0 0 323.349 0.699 50 0 DCAARN O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1cncc(=O)[nH]1 ZINC001704300805 1179966840 /nfs/dbraw/zinc/96/68/40/1179966840.db2.gz WQYMGXWWFUCSJT-DGCLKSJQSA-N 0 0 300.318 0.152 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cc(=O)cc(C)[nH]3)C[C@H]2O)[nH]n1 ZINC001704301344 1179967045 /nfs/dbraw/zinc/96/70/45/1179967045.db2.gz VSINVNRTSQQCKK-IAQYHMDHSA-N 0 0 316.361 0.390 50 0 DCAARN CN(C)c1nc(N2CCN(c3cnccn3)CC2)ncc1F ZINC001704304830 1179968552 /nfs/dbraw/zinc/96/85/52/1179968552.db2.gz IRACJYIABWEODG-UHFFFAOYSA-N 0 0 303.345 0.798 50 0 DCAARN O=C([O-])C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)Cc1cccs1)C2 ZINC001704324652 1179972218 /nfs/dbraw/zinc/97/22/18/1179972218.db2.gz CLZAOSUKWUOWFE-RYUDHWBXSA-N 0 0 324.402 0.534 50 0 DCAARN CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCCn1cc(Cl)cn1 ZINC001704348445 1179981509 /nfs/dbraw/zinc/98/15/09/1179981509.db2.gz VEOKTRYVOLQRFU-LBPRGKRZSA-N 0 0 324.772 0.123 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3nn(C)cc3Cl)C[C@H]2O)[nH]n1 ZINC001704352043 1179982435 /nfs/dbraw/zinc/98/24/35/1179982435.db2.gz OKLRIESUYSNRDH-BXKDBHETSA-N 0 0 323.784 0.781 50 0 DCAARN O=C(CCNC(=O)c1ccccc1F)N[C@@H]1CCCNC1=O ZINC001704350607 1179982499 /nfs/dbraw/zinc/98/24/99/1179982499.db2.gz CDWFTIADKYTXIV-GFCCVEGCSA-N 0 0 307.325 0.340 50 0 DCAARN COCCN(C)CC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 ZINC001704352911 1179982727 /nfs/dbraw/zinc/98/27/27/1179982727.db2.gz MJRMCTSOQRPRMP-HUUCEWRRSA-N 0 0 307.394 0.334 50 0 DCAARN O=C(CN1CCCC1=O)N1C[C@H](O)[C@H](Cc2ccncc2)C1 ZINC001704352145 1179983433 /nfs/dbraw/zinc/98/34/33/1179983433.db2.gz UKQRELANBPSYCP-KGLIPLIRSA-N 0 0 303.362 0.066 50 0 DCAARN CN1C(=O)C(CC(=O)NCCN2CCOCC2)=C2CCCC[C@H]21 ZINC000581793500 747690933 /nfs/dbraw/zinc/69/09/33/747690933.db2.gz BWJFUUOCZQSCFK-OAHLLOKOSA-N 0 0 321.421 0.536 50 0 DCAARN O=C(c1ccno1)N1CCCc2cnc(N3CCOCC3)nc21 ZINC000675007585 748024931 /nfs/dbraw/zinc/02/49/31/748024931.db2.gz NFAFZQYITRCYSX-UHFFFAOYSA-N 0 0 315.333 0.894 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@@H]1c1[nH]nc2c1COCC2 ZINC000675011307 748026009 /nfs/dbraw/zinc/02/60/09/748026009.db2.gz NOQVVXVYQSFGNO-LLVKDONJSA-N 0 0 300.384 0.426 50 0 DCAARN CCOCc1cn([C@H]2CCN(C(=O)c3nccn3C)C2)nn1 ZINC000675017606 748026119 /nfs/dbraw/zinc/02/61/19/748026119.db2.gz DYWZTKKBYLFPEJ-LBPRGKRZSA-N 0 0 304.354 0.635 50 0 DCAARN CCOCc1cn([C@H]2CCN(C(=O)c3cnccn3)C2)nn1 ZINC000675018519 748026967 /nfs/dbraw/zinc/02/69/67/748026967.db2.gz SXFQXVZHRDWPMG-LBPRGKRZSA-N 0 0 302.338 0.692 50 0 DCAARN CNC(=O)N1C[C@@H]2C[C@H](OC)CN2C(=O)[C@@H]1Cc1ccccc1 ZINC000675016265 748027107 /nfs/dbraw/zinc/02/71/07/748027107.db2.gz BXGUMSLNIQTVOF-KKUMJFAQSA-N 0 0 317.389 0.869 50 0 DCAARN Cc1occc1C(=O)NCCN1CC[C@H](N2CCOCC2)C1=O ZINC000675021077 748027747 /nfs/dbraw/zinc/02/77/47/748027747.db2.gz LDMIMCVAVHZWGN-AWEZNQCLSA-N 0 0 321.377 0.251 50 0 DCAARN CCCn1cc(S(=O)(=O)N2CCN3C(=O)OC[C@@H]3C2)cn1 ZINC000823033037 758218624 /nfs/dbraw/zinc/21/86/24/758218624.db2.gz IMWWAFHCLXHMAM-JTQLQIEISA-N 0 0 314.367 0.118 50 0 DCAARN Cn1cc(S(=O)(=O)NCc2[nH]nc3c2CCCCC3)cn1 ZINC000825658338 758811758 /nfs/dbraw/zinc/81/17/58/758811758.db2.gz IVSXTDGYPBYAED-UHFFFAOYSA-N 0 0 309.395 0.891 50 0 DCAARN NC(=O)Cc1nnc(CCCc2nc(-c3cccnc3)no2)[nH]1 ZINC000826841879 758844978 /nfs/dbraw/zinc/84/49/78/758844978.db2.gz DIADCWVPJAOPRJ-UHFFFAOYSA-N 0 0 313.321 0.453 50 0 DCAARN C[C@]1(CNS(=O)(=O)c2cc(C(N)=O)cs2)CCCO1 ZINC000826848989 758845084 /nfs/dbraw/zinc/84/50/84/758845084.db2.gz MQQKFHFEWXKSFB-LLVKDONJSA-N 0 0 304.393 0.694 50 0 DCAARN C[C@H](NC(=O)CS(C)(=O)=O)c1nc(-c2cccnc2)no1 ZINC000827841873 758892872 /nfs/dbraw/zinc/89/28/72/758892872.db2.gz ZEDGFBFJMFOFFY-QMMMGPOBSA-N 0 0 310.335 0.353 50 0 DCAARN O=C([O-])c1cc(O)cc(C(=O)NCC[N@H+]2CCCC[C@H]2CO)c1 ZINC000828711006 759073484 /nfs/dbraw/zinc/07/34/84/759073484.db2.gz XHZLUNFAZNXUPY-ZDUSSCGKSA-N 0 0 322.361 0.667 50 0 DCAARN CN1CCN(C(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)CC1 ZINC000581787195 760248822 /nfs/dbraw/zinc/24/88/22/760248822.db2.gz CZLHISOXAVWWBN-HNNXBMFYSA-N 0 0 317.389 0.188 50 0 DCAARN CN1C(=O)C[S@@](=O)C12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000581793918 760251941 /nfs/dbraw/zinc/25/19/41/760251941.db2.gz HDAIPAKLKNZQCV-JOCHJYFZSA-N 0 0 324.377 0.979 50 0 DCAARN CC(C)OCCCNC(=O)[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000581792263 760252608 /nfs/dbraw/zinc/25/26/08/760252608.db2.gz CYXOCQQBPDFKNT-CYBMUJFWSA-N 0 0 322.409 0.538 50 0 DCAARN COCCN(C)C(=O)c1cn(C2CN(C(=O)C(C)C)C2)nn1 ZINC000581811058 760254570 /nfs/dbraw/zinc/25/45/70/760254570.db2.gz MTTAINCXSRWSCB-UHFFFAOYSA-N 0 0 309.370 0.036 50 0 DCAARN CN(c1ncncc1F)C1CN(c2ccc3nncn3n2)C1 ZINC000585592649 768081792 /nfs/dbraw/zinc/08/17/92/768081792.db2.gz MIRNLKZYECNVRL-UHFFFAOYSA-N 0 0 300.301 0.378 50 0 DCAARN Cn1ccc(C(=O)N[C@@H]2C[C@H](C(=O)OC(C)(C)C)C[C@@H]2O)n1 ZINC000585126594 766289824 /nfs/dbraw/zinc/28/98/24/766289824.db2.gz CNYNOBNIDLIQBJ-WCQGTBRESA-N 0 0 309.366 0.631 50 0 DCAARN COCCn1cnnc1CN(C)C(=O)CCn1ccc(C)n1 ZINC000952861001 768921413 /nfs/dbraw/zinc/92/14/13/768921413.db2.gz BGMRWTUVPRIFBE-UHFFFAOYSA-N 0 0 306.370 0.478 50 0 DCAARN COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](F)C2)cc1OC ZINC000952869975 768926498 /nfs/dbraw/zinc/92/64/98/768926498.db2.gz RWBBCMDVSGFWRX-NXEZZACHSA-N 0 0 305.327 0.407 50 0 DCAARN CCCCS(=O)(=O)N[C@H]1CCN(c2nc(C)cc(=O)[nH]2)C1 ZINC000952879249 768943276 /nfs/dbraw/zinc/94/32/76/768943276.db2.gz BZWNUDWQCPSTMA-NSHDSACASA-N 0 0 314.411 0.789 50 0 DCAARN C[C@@H]1CCCC[C@H]1CC(=O)NCCc1nnc2n1CCNC2=O ZINC000952884234 768951928 /nfs/dbraw/zinc/95/19/28/768951928.db2.gz WGJMQDLZZZHPTJ-NEPJUHHUSA-N 0 0 319.409 0.897 50 0 DCAARN CCC[C@H]1COC[C@H]2CN(C(=O)CCCn3cncn3)CCN21 ZINC001529133653 1014502193 /nfs/dbraw/zinc/50/21/93/1014502193.db2.gz UESCGFKEBMHTOJ-LSDHHAIUSA-N 0 0 321.425 0.770 50 0 DCAARN O=C(CCc1cn[nH]c1)N1C[C@@H](Cc2ccncc2)[C@H](O)C1 ZINC001529167414 1014511212 /nfs/dbraw/zinc/51/12/12/1014511212.db2.gz IRERYXXTWFAJJF-HUUCEWRRSA-N 0 0 300.362 0.799 50 0 DCAARN CC(=O)NCCCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 ZINC001529168241 1014511342 /nfs/dbraw/zinc/51/13/42/1014511342.db2.gz YJOGSNJQNLUTMX-HUUCEWRRSA-N 0 0 305.378 0.672 50 0 DCAARN COc1ncccc1C(=O)N1C[C@@H](Cc2cc(C)n[nH]2)[C@H](O)C1 ZINC001529178060 1014514000 /nfs/dbraw/zinc/51/40/00/1014514000.db2.gz GOYNGRCFTBFFKC-BXUZGUMPSA-N 0 0 316.361 0.797 50 0 DCAARN CN(C)S(=O)(=O)C[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1O ZINC001529182655 1014515094 /nfs/dbraw/zinc/51/50/94/1014515094.db2.gz YDYYCMIOHZMVMK-GXTWGEPZSA-N 0 0 316.398 0.510 50 0 DCAARN CC(=O)Nc1nonc1NC(=O)CN(C)Cc1cccnc1 ZINC001529186885 1014517955 /nfs/dbraw/zinc/51/79/55/1014517955.db2.gz MHRXKRNPMOJRKZ-UHFFFAOYSA-N 0 0 304.310 0.494 50 0 DCAARN CN(Cc1noc(C2CC2)n1)c1nccc(N2CC[C@@H](O)C2)n1 ZINC001506412352 1017261560 /nfs/dbraw/zinc/26/15/60/1017261560.db2.gz COCREFXOLOJBMA-LLVKDONJSA-N 0 0 316.365 0.944 50 0 DCAARN O=C(CN1CCOC1=O)N1CCCN(C(=O)c2ccco2)CC1 ZINC001506416518 1017262546 /nfs/dbraw/zinc/26/25/46/1017262546.db2.gz JROJRHXCPAVTHG-UHFFFAOYSA-N 0 0 321.333 0.406 50 0 DCAARN O=C(/C=C/c1cc(CO)cs1)N1CCN2C(=O)OC[C@@H]2C1 ZINC001506416383 1017264499 /nfs/dbraw/zinc/26/44/99/1017264499.db2.gz VZEPKKYGVRQZEJ-GXFZAYBSSA-N 0 0 308.359 0.917 50 0 DCAARN O=C([O-])[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccco3)CC2)CCO1 ZINC001506430431 1017272057 /nfs/dbraw/zinc/27/20/57/1017272057.db2.gz AYWDEBKPLYLQPN-AWEZNQCLSA-N 0 0 322.361 0.804 50 0 DCAARN COc1ccc(NC(=O)NCCc2nnc(N)s2)c(OC)n1 ZINC000095496671 185374066 /nfs/dbraw/zinc/37/40/66/185374066.db2.gz YSBDJECTXMERKU-UHFFFAOYSA-N 0 0 324.366 0.897 50 0 DCAARN O=C(CN1CCNC1=O)N1CC(Oc2cccc(Cl)c2)C1 ZINC000095520014 185377007 /nfs/dbraw/zinc/37/70/07/185377007.db2.gz YHGWOPJAUUIJPN-UHFFFAOYSA-N 0 0 309.753 0.955 50 0 DCAARN Cc1cc(C(=O)NCCNc2nnnn2-c2ccccc2)on1 ZINC000076962225 185061990 /nfs/dbraw/zinc/06/19/90/185061990.db2.gz LWBZBNQTSWLLIJ-UHFFFAOYSA-N 0 0 313.321 0.801 50 0 DCAARN CC[C@@H](COC)NC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000078842631 185119553 /nfs/dbraw/zinc/11/95/53/185119553.db2.gz KDNAXSPVUDTUED-LBPRGKRZSA-N 0 0 314.407 0.848 50 0 DCAARN COc1c(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(C)nn1C ZINC000078895934 185124737 /nfs/dbraw/zinc/12/47/37/185124737.db2.gz TVQUWRQKKDQEEP-WCQYABFASA-N 0 0 322.409 0.530 50 0 DCAARN COc1ccc(-n2cc(CNC(=O)c3cnn(C)c3)nn2)cc1 ZINC000079070317 185152962 /nfs/dbraw/zinc/15/29/62/185152962.db2.gz UICGUFYBBPMDRC-UHFFFAOYSA-N 0 0 312.333 0.939 50 0 DCAARN COC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000079112605 185159089 /nfs/dbraw/zinc/15/90/89/185159089.db2.gz XKGDLDNDJLXYQB-VIFPVBQESA-N 0 0 314.363 0.732 50 0 DCAARN CN(C)[C@H](CNC(=O)[C@@H]1CCC(=O)N1)c1c(F)cccc1F ZINC000079363154 185167103 /nfs/dbraw/zinc/16/71/03/185167103.db2.gz OTBPEGPDEOGYOF-NWDGAFQWSA-N 0 0 311.332 0.962 50 0 DCAARN CCN(CC(=O)N([C@@H](C)CS(C)(=O)=O)C1CC1)C1CC1 ZINC000089960950 185272102 /nfs/dbraw/zinc/27/21/02/185272102.db2.gz MHQLDZDLAQERCV-NSHDSACASA-N 0 0 302.440 0.895 50 0 DCAARN COCCOCC(=O)N[C@H]1CCCCN(C(=O)N(C)C)C1 ZINC000082097796 192355036 /nfs/dbraw/zinc/35/50/36/192355036.db2.gz FSPZLYDXEJVGMK-LBPRGKRZSA-N 0 0 301.387 0.302 50 0 DCAARN Cc1csc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 ZINC000007195763 190628220 /nfs/dbraw/zinc/62/82/20/190628220.db2.gz APUCLSXAPPVDPT-MRVPVSSYSA-N 0 0 306.434 0.847 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CCC[C@H](Oc3cccnn3)C2)c1 ZINC000225458540 201712744 /nfs/dbraw/zinc/71/27/44/201712744.db2.gz IONVQCKBTLBNHK-NSHDSACASA-N 0 0 323.378 0.442 50 0 DCAARN Nc1ccnc(N2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)n1 ZINC000082121614 192359293 /nfs/dbraw/zinc/35/92/93/192359293.db2.gz PZGWESJJKDDPKB-MRXNPFEDSA-N 0 0 319.409 0.650 50 0 DCAARN NC(=O)N1CCCN(C(=O)COCCc2ccccc2)CC1 ZINC000097001412 185396120 /nfs/dbraw/zinc/39/61/20/185396120.db2.gz IHHNKHLDEVMAGP-UHFFFAOYSA-N 0 0 305.378 0.859 50 0 DCAARN Cn1cc(S(=O)(=O)NC[C@](C)(O)c2ccsc2)cn1 ZINC000095433174 185363735 /nfs/dbraw/zinc/36/37/35/185363735.db2.gz RVHBQVIOPVOEOO-NSHDSACASA-N 0 0 301.393 0.668 50 0 DCAARN CN(C[C@@H]1CCCN(c2ncc(F)cn2)C1)S(C)(=O)=O ZINC000286645842 219101008 /nfs/dbraw/zinc/10/10/08/219101008.db2.gz UHCVMEYGVGFXNV-JTQLQIEISA-N 0 0 302.375 0.724 50 0 DCAARN CC[C@H]1CN(Cc2nnc3n2CCOC3)CCN1CC(F)F ZINC000225495027 201721253 /nfs/dbraw/zinc/72/12/53/201721253.db2.gz PAKIHJJFMFBMJV-NSHDSACASA-N 0 0 315.368 0.970 50 0 DCAARN CNS(=O)(=O)CCNC(=O)[C@H](C)Oc1cc(C)ccc1C ZINC000055403094 290755961 /nfs/dbraw/zinc/75/59/61/290755961.db2.gz AVZQXNRZCCKWDL-LBPRGKRZSA-N 0 0 314.407 0.736 50 0 DCAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCO[C@H]3CCC[C@H]32)C1=O ZINC000230173911 201868469 /nfs/dbraw/zinc/86/84/69/201868469.db2.gz WDRKNYQGSFSMCR-BFQNTYOBSA-N 0 0 321.377 0.487 50 0 DCAARN O[C@@H](CN1CCO[C@H](Cn2cncn2)C1)c1ccc(F)cc1 ZINC000069809288 190820574 /nfs/dbraw/zinc/82/05/74/190820574.db2.gz UNETVDKQPLZTRC-GJZGRUSLSA-N 0 0 306.341 0.852 50 0 DCAARN CNS(=O)(=O)CC(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000083608148 192375259 /nfs/dbraw/zinc/37/52/59/192375259.db2.gz JRSRDAOEJRBELZ-JTQLQIEISA-N 0 0 300.355 0.691 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)Cc3cnn(C)c3)CCO2)[nH]1 ZINC000083829940 192385534 /nfs/dbraw/zinc/38/55/34/192385534.db2.gz TVHNJMLNXYHZIO-NSHDSACASA-N 0 0 304.354 0.243 50 0 DCAARN Cn1c(=O)cc(C(=O)N2CC[NH2+][C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000071707855 191011507 /nfs/dbraw/zinc/01/15/07/191011507.db2.gz WKIBZMFFMWFXFV-GFCCVEGCSA-N 0 0 315.329 0.037 50 0 DCAARN COC(=O)c1n[nH]cc1CN1CCC(N2CCCC2=O)CC1 ZINC000071760750 191025642 /nfs/dbraw/zinc/02/56/42/191025642.db2.gz BMGGBEOPYHQTQJ-UHFFFAOYSA-N 0 0 306.366 0.783 50 0 DCAARN CC(=O)CCC(=O)OCCOCCOC(=O)CCC(C)=O ZINC000071769658 191030583 /nfs/dbraw/zinc/03/05/83/191030583.db2.gz QTEIOSRWLKCFRC-UHFFFAOYSA-N 0 0 302.323 0.828 50 0 DCAARN Cc1cc(=O)n(CC(=O)Nc2ccc(C(N)=O)cc2)nc1C ZINC000072115719 191037402 /nfs/dbraw/zinc/03/74/02/191037402.db2.gz WCICWVMJMPGITH-UHFFFAOYSA-N 0 0 300.318 0.598 50 0 DCAARN C[C@H](NC(=O)NC[C@H]1COC2(CCCCC2)O1)C(=O)N(C)C ZINC000253427644 299163954 /nfs/dbraw/zinc/16/39/54/299163954.db2.gz AJPJGDJIYDBCMU-RYUDHWBXSA-N 0 0 313.398 0.838 50 0 DCAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(N)=O)c(C)c1C ZINC000072133692 191045510 /nfs/dbraw/zinc/04/55/10/191045510.db2.gz VDCSOSUNJNKKBO-ZDUSSCGKSA-N 0 0 305.378 0.488 50 0 DCAARN O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1cn[nH]n1 ZINC000072152098 191057710 /nfs/dbraw/zinc/05/77/10/191057710.db2.gz OAJVXEFDCCSVLY-UHFFFAOYSA-N 0 0 310.317 0.458 50 0 DCAARN CCc1nccn1CCC(=O)N1CCc2c(=O)[nH]c(C)nc2C1 ZINC000072154224 191059148 /nfs/dbraw/zinc/05/91/48/191059148.db2.gz JHHVFGRILAIRRA-UHFFFAOYSA-N 0 0 315.377 0.812 50 0 DCAARN CN1C[C@@]2(CCCN(C(=O)CCCn3cncn3)CC2)OC1=O ZINC000072157147 191061208 /nfs/dbraw/zinc/06/12/08/191061208.db2.gz YDBNBQRNIAEKOR-HNNXBMFYSA-N 0 0 321.381 0.892 50 0 DCAARN NC(=O)[C@H]1CN(c2nc(C3CCCC3)nc3c2CNC3)CCO1 ZINC000072168960 191067794 /nfs/dbraw/zinc/06/77/94/191067794.db2.gz RRROWQDDEJDZMV-CYBMUJFWSA-N 0 0 317.393 0.428 50 0 DCAARN COCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 ZINC000072237979 191082324 /nfs/dbraw/zinc/08/23/24/191082324.db2.gz XESXTBDYLAMSMA-LSDHHAIUSA-N 0 0 306.362 0.738 50 0 DCAARN Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)nc(N2CCCC2)n1 ZINC000072241134 191085309 /nfs/dbraw/zinc/08/53/09/191085309.db2.gz TUUKLSATMMKGOH-NSHDSACASA-N 0 0 324.406 0.302 50 0 DCAARN OC[C@@H]1CCCN1c1cc(NCCN2CCOCC2)ncn1 ZINC000072275969 191096832 /nfs/dbraw/zinc/09/68/32/191096832.db2.gz RVDHQUAJQVMYKP-ZDUSSCGKSA-N 0 0 307.398 0.182 50 0 DCAARN CS(=O)(=O)C1(C(=O)N[C@H]2CCc3nccn3C2)CCCC1 ZINC000072278833 191100575 /nfs/dbraw/zinc/10/05/75/191100575.db2.gz REKBWIWIKADZAJ-NSHDSACASA-N 0 0 311.407 0.672 50 0 DCAARN CC(C)[C@@H](C(=O)N[C@H]1CCc2nccn2C1)N1CCCC1=O ZINC000072279410 191100194 /nfs/dbraw/zinc/10/01/94/191100194.db2.gz KOFBUVNECNZJSO-WFASDCNBSA-N 0 0 304.394 0.961 50 0 DCAARN Cc1nscc1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000179703717 186207950 /nfs/dbraw/zinc/20/79/50/186207950.db2.gz KJNGTIKSOXGDKS-SECBINFHSA-N 0 0 303.409 0.605 50 0 DCAARN CCn1c(Cn2nc(C(N)=O)ccc2=O)nc2cc(F)ccc21 ZINC000072296512 191112220 /nfs/dbraw/zinc/11/22/20/191112220.db2.gz GMQYTOQKNNLNGE-UHFFFAOYSA-N 0 0 315.308 0.899 50 0 DCAARN Cc1ncn(CC(=O)NCc2cnn3c2CCCC3)c(=O)c1C ZINC000225610769 186283241 /nfs/dbraw/zinc/28/32/41/186283241.db2.gz YORRKAWGORLQQS-UHFFFAOYSA-N 0 0 315.377 0.709 50 0 DCAARN CCc1nc(CC(=O)N2CCN3C(=O)N(C)C[C@@H]3C2)cs1 ZINC000225619590 186283741 /nfs/dbraw/zinc/28/37/41/186283741.db2.gz MKDPGKBEWISBFD-LLVKDONJSA-N 0 0 308.407 0.826 50 0 DCAARN O=C(NCCN1CCOCC1)Nc1ccc(N2CCC2=O)cc1 ZINC000225634364 186285827 /nfs/dbraw/zinc/28/58/27/186285827.db2.gz ZTXVKOOHPZKBQO-UHFFFAOYSA-N 0 0 318.377 0.877 50 0 DCAARN C[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000253405469 186307787 /nfs/dbraw/zinc/30/77/87/186307787.db2.gz IHIWDVOLXJJZLX-IUCAKERBSA-N 0 0 320.324 0.552 50 0 DCAARN COc1ccc(CNC(=O)C(=O)N[C@@H](C)c2cccnc2)cn1 ZINC000253407995 186308216 /nfs/dbraw/zinc/30/82/16/186308216.db2.gz REVQZDRBTJAFQV-NSHDSACASA-N 0 0 314.345 0.979 50 0 DCAARN Cn1ccc2c1cccc2OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000253409233 186308652 /nfs/dbraw/zinc/30/86/52/186308652.db2.gz LOOYXVDYRMMTJL-LLVKDONJSA-N 0 0 322.386 0.860 50 0 DCAARN O=C(Nc1nn[nH]n1)[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000253412517 186310018 /nfs/dbraw/zinc/31/00/18/186310018.db2.gz RFZBWYGNCUWQJS-SECBINFHSA-N 0 0 304.285 0.326 50 0 DCAARN O=C(CN1CC(=O)NC1=O)NCc1coc(-c2ccccc2)n1 ZINC000172611104 198123767 /nfs/dbraw/zinc/12/37/67/198123767.db2.gz NKRIEAKMISZCQE-UHFFFAOYSA-N 0 0 314.301 0.510 50 0 DCAARN COC(=O)C1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000035177057 290946387 /nfs/dbraw/zinc/94/63/87/290946387.db2.gz PZXWYNAXPXMQJD-QWRGUYRKSA-N 0 0 320.411 0.225 50 0 DCAARN Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(C(=O)CO)C1 ZINC000072480242 191181023 /nfs/dbraw/zinc/18/10/23/191181023.db2.gz RNYFYLYQLIJQAJ-CYBMUJFWSA-N 0 0 321.425 0.499 50 0 DCAARN CS(=O)(=O)CCCN1CCNC(=O)[C@@H]1c1cccs1 ZINC000072799554 191231250 /nfs/dbraw/zinc/23/12/50/191231250.db2.gz RIULAWZNTJVEKI-NSHDSACASA-N 0 0 302.421 0.656 50 0 DCAARN CCCOC(=O)c1ccc(NC(=O)C(=O)NCCCO)cc1 ZINC000002279332 180917516 /nfs/dbraw/zinc/91/75/16/180917516.db2.gz YNBZQCAQDHSKJK-UHFFFAOYSA-N 0 0 308.334 0.691 50 0 DCAARN COCCCNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000002966851 180972499 /nfs/dbraw/zinc/97/24/99/180972499.db2.gz YHFDAYMDEKETMT-UHFFFAOYSA-N 0 0 324.377 0.515 50 0 DCAARN CN(Cc1ccccc1)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000003329525 181006159 /nfs/dbraw/zinc/00/61/59/181006159.db2.gz XSAWCUXHEZTOSN-UHFFFAOYSA-N 0 0 311.345 0.789 50 0 DCAARN CCN1C(=O)C(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O ZINC000003405872 181015908 /nfs/dbraw/zinc/01/59/08/181015908.db2.gz IAMHUUBOAGSQIT-UHFFFAOYSA-N 0 0 315.329 0.382 50 0 DCAARN NC(=O)NC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000003429228 181018238 /nfs/dbraw/zinc/01/82/38/181018238.db2.gz OWMDJXSNSZRFSN-UHFFFAOYSA-N 0 0 306.196 0.937 50 0 DCAARN CCCn1c(N)c(C(=O)CN2CCCC[C@@H]2C)c(=O)n(C)c1=O ZINC000003565039 181035735 /nfs/dbraw/zinc/03/57/35/181035735.db2.gz SPXDTWKXOONXED-NSHDSACASA-N 0 0 322.409 0.596 50 0 DCAARN CCOc1ccc(S(=O)(=O)n2cc(F)c(=O)[nH]c2=O)cc1 ZINC000004006290 181061411 /nfs/dbraw/zinc/06/14/11/181061411.db2.gz JYXNKDQEQDBBMR-UHFFFAOYSA-N 0 0 314.294 0.724 50 0 DCAARN CCCS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000004099874 181073435 /nfs/dbraw/zinc/07/34/35/181073435.db2.gz VPPWQUSXCZXCSG-ZDUSSCGKSA-N 0 0 318.439 0.733 50 0 DCAARN NC(=O)c1oc2ccccc2c1NC(=O)CN1C(=O)CCC1=O ZINC000004135096 181077443 /nfs/dbraw/zinc/07/74/43/181077443.db2.gz NPJXHQFZCWJRHU-UHFFFAOYSA-N 0 0 315.285 0.619 50 0 DCAARN CCOC(=O)Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O ZINC000004139895 181077784 /nfs/dbraw/zinc/07/77/84/181077784.db2.gz XHHPTXMYUKRHCX-UHFFFAOYSA-N 0 0 317.280 0.679 50 0 DCAARN O=C(CSc1[nH]c(=O)nc2c1CCC2)NC[C@@H]1CCCO1 ZINC000004316893 181096775 /nfs/dbraw/zinc/09/67/75/181096775.db2.gz NQGZCCFZJFWNQB-VIFPVBQESA-N 0 0 309.391 0.646 50 0 DCAARN CCOC(=O)CN(C)S(=O)(=O)c1ccsc1C(=O)OC ZINC000004324115 181097961 /nfs/dbraw/zinc/09/79/61/181097961.db2.gz YZWHKLAAQYXJOH-UHFFFAOYSA-N 0 0 321.376 0.718 50 0 DCAARN CCS(=O)(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000004411733 181107581 /nfs/dbraw/zinc/10/75/81/181107581.db2.gz ANNCQJZNNUDOOB-UHFFFAOYSA-N 0 0 311.407 0.836 50 0 DCAARN CCOCCn1c(C)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000004370639 181103335 /nfs/dbraw/zinc/10/33/35/181103335.db2.gz NDIBXFGINNJYGM-UHFFFAOYSA-N 0 0 305.338 0.031 50 0 DCAARN Cn1cnnc1SCC(=O)N1C(=O)c2ccccc2C1=O ZINC000004616773 181130083 /nfs/dbraw/zinc/13/00/83/181130083.db2.gz XIGNKPUTUVNWHB-UHFFFAOYSA-N 0 0 302.315 0.730 50 0 DCAARN O=C(CC(=O)NCCc1ccncc1)NCCc1ccncc1 ZINC000004710200 181140115 /nfs/dbraw/zinc/14/01/15/181140115.db2.gz ACUBWCVWJYTQMQ-UHFFFAOYSA-N 0 0 312.373 0.884 50 0 DCAARN CC(=O)O[C@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)OC(C)=O ZINC000004831485 181158649 /nfs/dbraw/zinc/15/86/49/181158649.db2.gz XNZDDCYYLSDAMR-ZIIBWEGUSA-N 0 0 318.322 0.753 50 0 DCAARN O=C(c1ccccc1N1CCOCC1)N1CCOC[C@H](CO)C1 ZINC000077288091 191687773 /nfs/dbraw/zinc/68/77/73/191687773.db2.gz RIWNSJILZXYRNM-AWEZNQCLSA-N 0 0 320.389 0.604 50 0 DCAARN CC(=O)c1cccc(N(CC(=O)NC2CC2)S(C)(=O)=O)c1 ZINC000005068362 181200578 /nfs/dbraw/zinc/20/05/78/181200578.db2.gz ZMHJMCYHMXHNLI-UHFFFAOYSA-N 0 0 310.375 0.934 50 0 DCAARN Cc1ccsc1C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000005110307 181204668 /nfs/dbraw/zinc/20/46/68/181204668.db2.gz CIZGMBWKKXBBGN-SECBINFHSA-N 0 0 317.388 0.517 50 0 DCAARN CC(=O)NCCNC(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000005194119 181215550 /nfs/dbraw/zinc/21/55/50/181215550.db2.gz IGCADMXHKXVRAD-GFCCVEGCSA-N 0 0 322.340 0.366 50 0 DCAARN COc1cccc(N2C[C@H](NS(=O)(=O)N(C)C)CC2=O)c1 ZINC000005222016 181218514 /nfs/dbraw/zinc/21/85/14/181218514.db2.gz WJHFIWZNYFAHOM-SNVBAGLBSA-N 0 0 313.379 0.197 50 0 DCAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)NC1CC1 ZINC000005315339 181229004 /nfs/dbraw/zinc/22/90/04/181229004.db2.gz GHXLXGNGDCCDDD-UHFFFAOYSA-N 0 0 323.374 0.444 50 0 DCAARN C[C@H](CNC(=O)C1(O)Cc2ccccc2C1)CN1CCOCC1 ZINC000081432361 192263081 /nfs/dbraw/zinc/26/30/81/192263081.db2.gz KKSSMKCMGMRLQC-CQSZACIVSA-N 0 0 318.417 0.601 50 0 DCAARN CS(=O)(=O)CCN1CCN(Cc2nccn2C(F)F)CC1 ZINC000086231085 192554801 /nfs/dbraw/zinc/55/48/01/192554801.db2.gz SIVWNDFOCQSYNA-UHFFFAOYSA-N 0 0 322.381 0.440 50 0 DCAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N(C)C)[C@H](C)O)cc1 ZINC000180905402 199227064 /nfs/dbraw/zinc/22/70/64/199227064.db2.gz NBCHXUQJCKSUAI-CMPLNLGQSA-N 0 0 300.380 0.111 50 0 DCAARN NC(=O)c1cc([C@H]2CCCN(C(=O)NC[C@H]3CCCO3)C2)n[nH]1 ZINC000095410059 236879869 /nfs/dbraw/zinc/87/98/69/236879869.db2.gz JAZCUTKJNAJYRA-WDEREUQCSA-N 0 0 321.381 0.577 50 0 DCAARN Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3ccco3)C2)cn1 ZINC000188723285 200295060 /nfs/dbraw/zinc/29/50/60/200295060.db2.gz NBMBHKFLXBUGTN-LLVKDONJSA-N 0 0 310.379 0.960 50 0 DCAARN O=C(NCc1cccnc1OCC(F)(F)F)[C@@H]1COCCN1 ZINC000237905851 202386153 /nfs/dbraw/zinc/38/61/53/202386153.db2.gz RASJRDQRDYNSKE-JTQLQIEISA-N 0 0 319.283 0.627 50 0 DCAARN Cc1cc(C)cc(OCC(=O)OCC(=O)N2CCNC2=O)c1 ZINC000006026624 181306854 /nfs/dbraw/zinc/30/68/54/181306854.db2.gz JWZLYAVRTWHKMM-UHFFFAOYSA-N 0 0 306.318 0.777 50 0 DCAARN O=C(CN1CCOC1=O)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000244574985 202483816 /nfs/dbraw/zinc/48/38/16/202483816.db2.gz CURINEIQNXOPOM-YUTCNCBUSA-N 0 0 319.361 0.332 50 0 DCAARN Cn1cc2c(n1)ncnc2NC1CCN(S(C)(=O)=O)CC1 ZINC000163059080 291245900 /nfs/dbraw/zinc/24/59/00/291245900.db2.gz NZOKUQXROVIWTJ-UHFFFAOYSA-N 0 0 310.383 0.199 50 0 DCAARN CCC(CC)NC(=O)[C@@H](C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000089943161 192915832 /nfs/dbraw/zinc/91/58/32/192915832.db2.gz KVZHEXLKOPYUSH-GFCCVEGCSA-N 0 0 321.425 0.762 50 0 DCAARN COC(=O)c1ccc(NC(=O)CSc2nc(N)n[nH]2)cc1 ZINC000006372217 181334819 /nfs/dbraw/zinc/33/48/19/181334819.db2.gz BUGJMOHJZBVDHJ-UHFFFAOYSA-N 0 0 307.335 0.904 50 0 DCAARN CC(C)N1C(=O)C(=O)N(CC(=O)NCC2CCCCC2)C1=O ZINC000006436097 181340436 /nfs/dbraw/zinc/34/04/36/181340436.db2.gz OHLSRQVWIZYCSN-UHFFFAOYSA-N 0 0 309.366 0.882 50 0 DCAARN CN(C)C(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(C)C2(C)C)o1 ZINC000244853063 202502462 /nfs/dbraw/zinc/50/24/62/202502462.db2.gz VENLUQVOJMEYMO-NSHDSACASA-N 0 0 321.377 0.855 50 0 DCAARN Cc1cc(C)n2nc(SCC(=O)N3CCNC3=O)nc2n1 ZINC000006582814 181357185 /nfs/dbraw/zinc/35/71/85/181357185.db2.gz FPXBRRIYBRBYEG-UHFFFAOYSA-N 0 0 306.351 0.385 50 0 DCAARN O=C1C[C@H](n2nnn(-c3cccc(O)c3)c2=S)[C@H]2CO[C@@H]1O2 ZINC000006667733 181367947 /nfs/dbraw/zinc/36/79/47/181367947.db2.gz QDNHPNDNFFYSOS-MVWJERBFSA-N 0 0 320.330 0.759 50 0 biogenic,in-vitro DCAARN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC)cc1C ZINC000006703890 181374881 /nfs/dbraw/zinc/37/48/81/181374881.db2.gz UAHRNUNDEJRPLB-JTQLQIEISA-N 0 0 300.380 0.807 50 0 DCAARN CCn1cc(C2=NO[C@H](C(=O)NC[C@H]3CCCO3)C2)c(C)n1 ZINC000006804901 181391947 /nfs/dbraw/zinc/39/19/47/181391947.db2.gz HEOVTMGUVIZSNV-RISCZKNCSA-N 0 0 306.366 1.000 50 0 DCAARN CCn1ccc(C(=O)N[C@H]2C[N@H+](CCC(=O)[O-])C[C@@H]2C2CC2)n1 ZINC000091320582 193040043 /nfs/dbraw/zinc/04/00/43/193040043.db2.gz CSKLSLPTTYJFHI-OCCSQVGLSA-N 0 0 320.393 0.818 50 0 DCAARN O=C(c1cn2ccsc2n1)N1CCN(CCOCCO)CC1 ZINC000091459988 193059537 /nfs/dbraw/zinc/05/95/37/193059537.db2.gz LZBXLTARXBDEBS-UHFFFAOYSA-N 0 0 324.406 0.163 50 0 DCAARN COc1ncc(Cl)c(N[C@H](C)C(=O)N2CCOCC2)n1 ZINC000091476727 193062098 /nfs/dbraw/zinc/06/20/98/193062098.db2.gz CXSNEYHCXWMHGZ-MRVPVSSYSA-N 0 0 300.746 0.798 50 0 DCAARN CC(C)Oc1cc(N2CC[C@]3(C2)CCCNC3=O)nc(N)n1 ZINC000091645508 193084896 /nfs/dbraw/zinc/08/48/96/193084896.db2.gz CXNCNWQAECOHTP-HNNXBMFYSA-N 0 0 305.382 0.953 50 0 DCAARN Nc1nc(CCC(=O)N2CC[C@]3(C2)CCCNC3=O)cs1 ZINC000091649838 193085378 /nfs/dbraw/zinc/08/53/78/193085378.db2.gz WYCJZGQILYYFRB-AWEZNQCLSA-N 0 0 308.407 0.787 50 0 DCAARN CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 ZINC000091724656 193097467 /nfs/dbraw/zinc/09/74/67/193097467.db2.gz ZXHHMYQWIPMABA-NWDGAFQWSA-N 0 0 311.411 0.184 50 0 DCAARN Cc1cc(C)nc(CN(C)C(=O)CC[C@H]2NC(=O)NC2=O)c1 ZINC000091726210 193097724 /nfs/dbraw/zinc/09/77/24/193097724.db2.gz FRMIXMNOXMOKQG-GFCCVEGCSA-N 0 0 304.350 0.645 50 0 DCAARN CN(C)S(=O)(=O)N1CC[C@H](Cc2cccc(C(N)=O)c2)C1 ZINC000091793395 193108964 /nfs/dbraw/zinc/10/89/64/193108964.db2.gz YJZNYYBIJZYJQR-GFCCVEGCSA-N 0 0 311.407 0.456 50 0 DCAARN Cn1cnnc1SCCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000091830145 193113976 /nfs/dbraw/zinc/11/39/76/193113976.db2.gz VYFWGHPDBKAMMA-SECBINFHSA-N 0 0 309.395 0.034 50 0 DCAARN Cc1cc(C)c(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1C ZINC000091865738 193120504 /nfs/dbraw/zinc/12/05/04/193120504.db2.gz UNCVBGWVJNAJNA-OAHLLOKOSA-N 0 0 301.390 0.754 50 0 DCAARN CCC[C@]1(CO)CCCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC000091876467 193121881 /nfs/dbraw/zinc/12/18/81/193121881.db2.gz HTQAYLDVECPEED-INIZCTEOSA-N 0 0 323.393 0.315 50 0 DCAARN CC[C@@H](C(=O)N1CCN(Cc2noc(C)n2)CC1)n1cccn1 ZINC000092001475 193139652 /nfs/dbraw/zinc/13/96/52/193139652.db2.gz TXBFJFIGZWPMAA-ZDUSSCGKSA-N 0 0 318.381 0.870 50 0 DCAARN COCCCS(=O)(=O)N1CCN(Cc2cccn2C)CC1 ZINC000092062744 193150305 /nfs/dbraw/zinc/15/03/05/193150305.db2.gz PCCJJZMLGHVZHF-UHFFFAOYSA-N 0 0 315.439 0.509 50 0 DCAARN CCc1nnc(CNC(=O)C[C@@H]2C=CS(=O)(=O)C2)s1 ZINC000223053480 201630559 /nfs/dbraw/zinc/63/05/59/201630559.db2.gz MGTUGVNAFBDAIF-QMMMGPOBSA-N 0 0 301.393 0.665 50 0 DCAARN COc1ccc2nnc(CNC(=O)c3scnc3C)n2n1 ZINC000252488211 202844877 /nfs/dbraw/zinc/84/48/77/202844877.db2.gz INMNZHWJJVFFLP-UHFFFAOYSA-N 0 0 304.335 0.828 50 0 DCAARN O=C(CN1CCCCCC1=O)N[C@H]1C[C@H](c2cc(=O)[nH]cn2)C1 ZINC000253534903 202894778 /nfs/dbraw/zinc/89/47/78/202894778.db2.gz SWGSZFVDZBDECC-HAQNSBGRSA-N 0 0 318.377 0.947 50 0 DCAARN COC(=O)CCCC(=O)Nc1ccc(OC)c(-n2cnnn2)c1 ZINC000275030345 212082190 /nfs/dbraw/zinc/08/21/90/212082190.db2.gz PEUPPSATVLOLLM-UHFFFAOYSA-N 0 0 319.321 0.953 50 0 DCAARN CN1CCN(c2ncc(CN3CCOCC34CCC4)cn2)CC1 ZINC000093510316 193261927 /nfs/dbraw/zinc/26/19/27/193261927.db2.gz SIMCTIHMKUIHLS-UHFFFAOYSA-N 0 0 317.437 0.983 50 0 DCAARN CN(C)c1ccccc1N(C)CC(=O)N[C@H]1CCCCNC1=O ZINC000095977675 193472323 /nfs/dbraw/zinc/47/23/23/193472323.db2.gz QTFXLVWMMKOJAS-ZDUSSCGKSA-N 0 0 318.421 0.974 50 0 DCAARN Cn1nc(CNC(=O)c2cccn(C)c2=O)c2c1CCCC2 ZINC000096099115 193536864 /nfs/dbraw/zinc/53/68/64/193536864.db2.gz JXJILZJHNVZNII-UHFFFAOYSA-N 0 0 300.362 0.928 50 0 DCAARN Cc1cc(O)cc(=O)n1CC(=O)Nc1ccc(C(N)=O)cc1 ZINC000096231463 193593201 /nfs/dbraw/zinc/59/32/01/193593201.db2.gz VHHPUISOZPDKMH-UHFFFAOYSA-N 0 0 301.302 0.600 50 0 DCAARN COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H]1CCCC1=O ZINC000007983551 181515197 /nfs/dbraw/zinc/51/51/97/181515197.db2.gz ADFAFYBUALKAPK-GFCCVEGCSA-N 0 0 313.331 0.621 50 0 DCAARN NC(=O)C1CCN(C(=O)CCNC(=O)Nc2ccccc2)CC1 ZINC000008327687 181549092 /nfs/dbraw/zinc/54/90/92/181549092.db2.gz GMICFFNNEQRPCV-UHFFFAOYSA-N 0 0 318.377 0.922 50 0 DCAARN CCN(CC)C(=O)Cn1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000012570342 181777974 /nfs/dbraw/zinc/77/79/74/181777974.db2.gz KXCKGCRKNXDFJF-TXEJJXNPSA-N 0 0 323.397 0.396 50 0 DCAARN CC(=O)N[C@@H](CC(=O)N1CCN(C(C)=O)CC1)c1ccccc1 ZINC000012744464 181791903 /nfs/dbraw/zinc/79/19/03/181791903.db2.gz DIDXXMWCLMVNPY-INIZCTEOSA-N 0 0 317.389 0.945 50 0 DCAARN CC(=O)NCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012936950 181813399 /nfs/dbraw/zinc/81/33/99/181813399.db2.gz KHYUJSORPPDZFW-UHFFFAOYSA-N 0 0 314.363 0.262 50 0 DCAARN CC(=O)c1cccc(OC[C@H](O)CN2C(=O)CN(C)C2=O)c1 ZINC000012988125 181819041 /nfs/dbraw/zinc/81/90/41/181819041.db2.gz NDDNQSCARIPRJG-GFCCVEGCSA-N 0 0 306.318 0.523 50 0 DCAARN CN1c2ccccc2[C@H](NC(=O)C(=O)NCc2ccco2)C1=O ZINC000013628939 181870427 /nfs/dbraw/zinc/87/04/27/181870427.db2.gz CNYZNQSMGGLVOX-ZDUSSCGKSA-N 0 0 313.313 0.730 50 0 DCAARN C[C@H](Sc1nncs1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000014139869 181929427 /nfs/dbraw/zinc/92/94/27/181929427.db2.gz DYZHQVAGMMBXQK-JGVFFNPUSA-N 0 0 321.449 0.664 50 0 DCAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(N)=O ZINC000015400324 182000638 /nfs/dbraw/zinc/00/06/38/182000638.db2.gz SNOHTRJYFYPFGC-UHFFFAOYSA-N 0 0 311.407 0.565 50 0 DCAARN O=C([O-])[C@@H]1C[NH2+]CCN(CC(=O)N2CCc3ccccc32)C1 ZINC000097360206 193711197 /nfs/dbraw/zinc/71/11/97/193711197.db2.gz RIFWFXPRMFRWNN-CYBMUJFWSA-N 0 0 303.362 0.182 50 0 DCAARN CS(=O)(=O)N1CCC[C@H](C(=O)NCCCn2ccnc2)C1 ZINC000016248496 182038534 /nfs/dbraw/zinc/03/85/34/182038534.db2.gz POTIUCBMJIPWDJ-LBPRGKRZSA-N 0 0 314.411 0.061 50 0 DCAARN CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000016552474 182049076 /nfs/dbraw/zinc/04/90/76/182049076.db2.gz ZQUZBIRJPHQFTF-UHFFFAOYSA-N 0 0 318.782 0.721 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2cccn2)cc1 ZINC000017636938 182085270 /nfs/dbraw/zinc/08/52/70/182085270.db2.gz UKAJXYRNNMXPBS-GFCCVEGCSA-N 0 0 305.359 0.789 50 0 DCAARN Cc1cccc(C)c1NC(=O)CNC(=O)C1=NN(C)C(=O)CC1 ZINC000017857858 182087270 /nfs/dbraw/zinc/08/72/70/182087270.db2.gz OWKVTRGTSYJCFL-UHFFFAOYSA-N 0 0 316.361 0.966 50 0 DCAARN Cc1cc(C)cc(OC[C@H](O)CN2CCN(CCO)CC2)c1 ZINC000019771009 182145023 /nfs/dbraw/zinc/14/50/23/182145023.db2.gz WKJPBSOMKCZZOW-MRXNPFEDSA-N 0 0 308.422 0.653 50 0 DCAARN O[C@@H](COC[C@@H]1COc2ccccc2O1)CN1CCOCC1 ZINC000019770746 182145284 /nfs/dbraw/zinc/14/52/84/182145284.db2.gz RPEZPIZPVMBCDB-ZIAGYGMSSA-N 0 0 309.362 0.536 50 0 DCAARN COc1cccc(NC(=O)C(=O)NCCN2CCOCC2)c1 ZINC000019831232 182154111 /nfs/dbraw/zinc/15/41/11/182154111.db2.gz KWSKFBVKTBWUBJ-UHFFFAOYSA-N 0 0 307.350 0.082 50 0 DCAARN CCOC(=O)C1CCN(Cc2oc(CO)cc(=O)c2O)CC1 ZINC000019901482 182162222 /nfs/dbraw/zinc/16/22/22/182162222.db2.gz PNTHFXOWJLZFBP-UHFFFAOYSA-N 0 0 311.334 0.613 50 0 DCAARN Cc1cc(C)n(-c2ccc(NCCNS(C)(=O)=O)nn2)n1 ZINC000019924110 182165032 /nfs/dbraw/zinc/16/50/32/182165032.db2.gz DOUYHRRUPCBBEW-UHFFFAOYSA-N 0 0 310.383 0.240 50 0 DCAARN CC1(C)O[C@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O)[C@@H](O)[C@H]2O1 ZINC000019926296 182165139 /nfs/dbraw/zinc/16/51/39/182165139.db2.gz HEIRVZOWRJGLTR-WPLOAARJSA-N 0 0 324.329 0.442 50 0 DCAARN O=C(CN1CCOCC1)N1CCN(Cc2ccccc2)CC1 ZINC000020367076 182211959 /nfs/dbraw/zinc/21/19/59/182211959.db2.gz DCFLLGGLAKZSHN-UHFFFAOYSA-N 0 0 303.406 0.663 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)cn1C ZINC000021526155 182279239 /nfs/dbraw/zinc/27/92/39/182279239.db2.gz QCNAYWRCTVHTBY-SECBINFHSA-N 0 0 302.352 0.269 50 0 DCAARN COCCCNC(=O)CSc1nnnn1C[C@H]1CCCO1 ZINC000021643080 182282034 /nfs/dbraw/zinc/28/20/34/182282034.db2.gz OJQZVZBIEYXBKS-SNVBAGLBSA-N 0 0 315.399 0.097 50 0 DCAARN O=C(OCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC(=O)N1 ZINC000021849113 182294865 /nfs/dbraw/zinc/29/48/65/182294865.db2.gz MAOMZTRIYYXLTR-NSHDSACASA-N 0 0 302.286 0.104 50 0 DCAARN CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000022606554 182327802 /nfs/dbraw/zinc/32/78/02/182327802.db2.gz RWIDNMXGYXJQDG-UHFFFAOYSA-N 0 0 300.336 0.288 50 0 DCAARN COCCn1nc(C(=O)NCCc2cccs2)ccc1=O ZINC000022505225 182323405 /nfs/dbraw/zinc/32/34/05/182323405.db2.gz RFMYZYQSFDQKLZ-UHFFFAOYSA-N 0 0 307.375 0.924 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)NCCCn2ccnc2)cc1 ZINC000023238738 182353579 /nfs/dbraw/zinc/35/35/79/182353579.db2.gz XWNRKWXYMMFGFX-UHFFFAOYSA-N 0 0 322.390 0.611 50 0 DCAARN COCCNC(=O)CN1CCN(Cc2cccc(F)c2)CC1 ZINC000023304169 182356264 /nfs/dbraw/zinc/35/62/64/182356264.db2.gz FLZTVFSGDAFGLL-UHFFFAOYSA-N 0 0 309.385 0.706 50 0 DCAARN O=C(C1CC1)N1CCN(Cn2nnc3ccccc3c2=O)CC1 ZINC000023640235 182365516 /nfs/dbraw/zinc/36/55/16/182365516.db2.gz GKUVVXGOTYKYJW-UHFFFAOYSA-N 0 0 313.361 0.303 50 0 DCAARN COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCNC(=O)C1 ZINC000023709550 182366432 /nfs/dbraw/zinc/36/64/32/182366432.db2.gz GGWKGVLUAMVEAN-CYBMUJFWSA-N 0 0 322.361 0.069 50 0 DCAARN NS(=O)(=O)Cc1ccc(CNC(=O)c2cccnc2)cc1 ZINC000024609964 182385405 /nfs/dbraw/zinc/38/54/05/182385405.db2.gz DHLZJEJVZBMKJS-UHFFFAOYSA-N 0 0 305.359 0.800 50 0 DCAARN Cn1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2Cl)n1 ZINC000024833002 182392438 /nfs/dbraw/zinc/39/24/38/182392438.db2.gz PGRRLVOIZOTIAK-UHFFFAOYSA-N 0 0 314.754 0.973 50 0 DCAARN COC(=O)[C@H]1CCCN1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000024928630 182395074 /nfs/dbraw/zinc/39/50/74/182395074.db2.gz GLEJXLVYMQMWPB-GFCCVEGCSA-N 0 0 316.313 0.447 50 0 DCAARN CCC[C@@H](C)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000024928375 182395242 /nfs/dbraw/zinc/39/52/42/182395242.db2.gz XVSXUIMJSHMLJG-SECBINFHSA-N 0 0 304.350 0.551 50 0 DCAARN C[C@H](O)CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000098076057 193782534 /nfs/dbraw/zinc/78/25/34/193782534.db2.gz AWEKROLSLDSTPL-NSHDSACASA-N 0 0 312.391 0.582 50 0 DCAARN Cc1c2nnn(CC(=O)NC3CCCCC3)c(=O)c2nn1C ZINC000032647418 182652918 /nfs/dbraw/zinc/65/29/18/182652918.db2.gz MHZNAVFADGGWOC-UHFFFAOYSA-N 0 0 304.354 0.282 50 0 DCAARN Cn1c(=O)c(C(=O)c2ccc(F)cc2)c(CN2CC2)n(C)c1=O ZINC000036359590 182818908 /nfs/dbraw/zinc/81/89/08/182818908.db2.gz QVTANZLIJUZGHM-UHFFFAOYSA-N 0 0 317.320 0.270 50 0 DCAARN COCC(=O)N1CCN(Cc2nc3cc(OC)ccc3[nH]2)CC1 ZINC000038670662 183005585 /nfs/dbraw/zinc/00/55/85/183005585.db2.gz DTGOSWXYYWAREE-UHFFFAOYSA-N 0 0 318.377 0.862 50 0 DCAARN NS(=O)(=O)NC[C@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000040378438 183057642 /nfs/dbraw/zinc/05/76/42/183057642.db2.gz HJWVLKGJCHWRBO-LLVKDONJSA-N 0 0 317.436 0.322 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccnc1N1CCCC1 ZINC000040468063 183073602 /nfs/dbraw/zinc/07/36/02/183073602.db2.gz WNSSKNGXPPXPEG-LLVKDONJSA-N 0 0 309.391 0.599 50 0 DCAARN Cc1cccc2c(=O)n(CCC(=O)N3CCNC(=O)C3)cnc12 ZINC000040480637 183076678 /nfs/dbraw/zinc/07/66/78/183076678.db2.gz BTGNIFWZANCDGY-UHFFFAOYSA-N 0 0 314.345 0.053 50 0 DCAARN CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000040494335 183080776 /nfs/dbraw/zinc/08/07/76/183080776.db2.gz HXXXVVIXNJTXNS-SNVBAGLBSA-N 0 0 319.404 0.547 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)CCc2ccco2)CC1 ZINC000040497308 183081913 /nfs/dbraw/zinc/08/19/13/183081913.db2.gz NBZXSMPFLILRTP-UHFFFAOYSA-N 0 0 300.380 0.752 50 0 DCAARN Nc1nc(Cl)cc(NCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000040497756 183082190 /nfs/dbraw/zinc/08/21/90/183082190.db2.gz UHXICYYYGFGLHK-UHFFFAOYSA-N 0 0 313.770 0.972 50 0 DCAARN Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)cc1C(N)=O ZINC000040511351 183087562 /nfs/dbraw/zinc/08/75/62/183087562.db2.gz WWHYOIVYPJRCLO-GWCFXTLKSA-N 0 0 312.391 0.940 50 0 DCAARN C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CCO1 ZINC000040512840 183087824 /nfs/dbraw/zinc/08/78/24/183087824.db2.gz CFUBCUXJMPSMJJ-QWHCGFSZSA-N 0 0 303.362 0.677 50 0 DCAARN Cn1ncc(C(=O)NCCCN2CCOCC2)c1-n1cccc1 ZINC000040512815 183088393 /nfs/dbraw/zinc/08/83/93/183088393.db2.gz REDGQNCEILYXJY-UHFFFAOYSA-N 0 0 317.393 0.663 50 0 DCAARN CN(Cc1cccc(Cl)c1)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000040513902 183088674 /nfs/dbraw/zinc/08/86/74/183088674.db2.gz LCJBHUSHJOKLFR-UHFFFAOYSA-N 0 0 321.764 0.859 50 0 DCAARN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000040527820 183093475 /nfs/dbraw/zinc/09/34/75/183093475.db2.gz IFEDXTDXMFFEKD-HTQZYQBOSA-N 0 0 316.379 0.793 50 0 DCAARN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC[C@H]1CCCO1 ZINC000040553253 183100487 /nfs/dbraw/zinc/10/04/87/183100487.db2.gz OCYMQQIVHJFIMV-SECBINFHSA-N 0 0 302.352 0.453 50 0 DCAARN CC(C)Cc1noc(C2CCN(C(=O)Cn3cnnn3)CC2)n1 ZINC000040714715 183123037 /nfs/dbraw/zinc/12/30/37/183123037.db2.gz YNYHLPPMOYLKSI-UHFFFAOYSA-N 0 0 319.369 0.661 50 0 DCAARN O=S(=O)(NCCN1CCOCC1)c1ccc2c(c1)CCO2 ZINC000041231597 183180289 /nfs/dbraw/zinc/18/02/89/183180289.db2.gz NUVUSYIBQWLWHP-UHFFFAOYSA-N 0 0 312.391 0.232 50 0 DCAARN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)NC1CC1 ZINC000041098130 183165521 /nfs/dbraw/zinc/16/55/21/183165521.db2.gz JKMHLJZEWPQVCP-NEPJUHHUSA-N 0 0 315.373 0.823 50 0 DCAARN CCn1cnnc1CNC(=O)NC[C@H](O)c1ccc(OC)cc1 ZINC000041451639 183191936 /nfs/dbraw/zinc/19/19/36/183191936.db2.gz SKSXSKVCNXUXQK-ZDUSSCGKSA-N 0 0 319.365 0.839 50 0 DCAARN Cc1cc(CNC(=O)CN2CCN(CCO)CC2)ccc1F ZINC000042287259 183250144 /nfs/dbraw/zinc/25/01/44/183250144.db2.gz XDLZFFKLLDTSBN-UHFFFAOYSA-N 0 0 309.385 0.360 50 0 DCAARN COc1ccccc1CNC(=O)NCC1(C(N)=O)CCOCC1 ZINC000043001944 183327079 /nfs/dbraw/zinc/32/70/79/183327079.db2.gz KXSTWRHZQFCOJX-UHFFFAOYSA-N 0 0 321.377 0.777 50 0 DCAARN C[C@H](NC(=O)Nc1cn[nH]c1)c1ccc(S(N)(=O)=O)cc1 ZINC000043160371 183342216 /nfs/dbraw/zinc/34/22/16/183342216.db2.gz BNRPZFRDNZAFBL-QMMMGPOBSA-N 0 0 309.351 0.940 50 0 DCAARN CCn1cc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000043645296 183377040 /nfs/dbraw/zinc/37/70/40/183377040.db2.gz GXQYAAKPTNHZRM-UHFFFAOYSA-N 0 0 323.378 0.872 50 0 DCAARN COc1ccc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000044456473 183411174 /nfs/dbraw/zinc/41/11/74/183411174.db2.gz HNNDOSYIRPQCOB-SNVBAGLBSA-N 0 0 313.375 0.868 50 0 DCAARN Cn1cc(C(=O)N2CCC(C(=O)Nc3nccs3)CC2)nn1 ZINC000044226692 183398870 /nfs/dbraw/zinc/39/88/70/183398870.db2.gz FCAOPZAWNMMMHI-UHFFFAOYSA-N 0 0 320.378 0.763 50 0 DCAARN CC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000044567232 183423343 /nfs/dbraw/zinc/42/33/43/183423343.db2.gz GNBXAYUQXULFCP-UHFFFAOYSA-N 0 0 302.327 0.805 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)N1CCC[C@H]1c1ccncc1 ZINC000044967068 183467518 /nfs/dbraw/zinc/46/75/18/183467518.db2.gz BVOWYPGMOKSEAU-AWEZNQCLSA-N 0 0 323.418 0.476 50 0 DCAARN Cc1nc(CN2CCN(C(=O)Cn3cccn3)CC2)cs1 ZINC000048264535 183634608 /nfs/dbraw/zinc/63/46/08/183634608.db2.gz JXPULTNYKPGPQY-UHFFFAOYSA-N 0 0 305.407 0.992 50 0 DCAARN COCCCNC(=O)COc1cc(Cl)ccc1C(N)=O ZINC000049462354 183732602 /nfs/dbraw/zinc/73/26/02/183732602.db2.gz KXIXUXLVQKKVHH-UHFFFAOYSA-N 0 0 300.742 0.970 50 0 DCAARN CCS(=O)(=O)N1CCN(C(=O)NCc2ccccn2)CC1 ZINC000052268224 183856843 /nfs/dbraw/zinc/85/68/43/183856843.db2.gz VMTOSBBKAHINEP-UHFFFAOYSA-N 0 0 312.395 0.259 50 0 DCAARN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Cc1ccc(C)s1 ZINC000110704239 194351476 /nfs/dbraw/zinc/35/14/76/194351476.db2.gz GHIXENJQLGQOMU-LBPRGKRZSA-N 0 0 323.418 0.452 50 0 DCAARN Cc1cc(C)n(C[C@H]2CN(C(=O)Cc3cnn(C)c3)CCO2)n1 ZINC000110898553 194367727 /nfs/dbraw/zinc/36/77/27/194367727.db2.gz URFIRMYQZYBECG-OAHLLOKOSA-N 0 0 317.393 0.704 50 0 DCAARN CS(=O)(=O)NCCNC(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000054655312 183947718 /nfs/dbraw/zinc/94/77/18/183947718.db2.gz VTRZJEBQMWHVSK-GFCCVEGCSA-N 0 0 311.363 0.169 50 0 DCAARN COC(=O)COc1ccc(NC(=O)Cn2cnnn2)c(C)c1 ZINC000055906638 184000177 /nfs/dbraw/zinc/00/01/77/184000177.db2.gz BCQBANIMMSUXRM-UHFFFAOYSA-N 0 0 305.294 0.172 50 0 DCAARN CCc1ccc(N2C[C@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1 ZINC000057050260 184025960 /nfs/dbraw/zinc/02/59/60/184025960.db2.gz FQEUILQNYLGNAW-GFCCVEGCSA-N 0 0 317.389 0.982 50 0 DCAARN Cc1c(C(=O)NC(C)(C)C(N)=O)nnn1-c1ccc(C)cc1 ZINC000057258442 184031069 /nfs/dbraw/zinc/03/10/69/184031069.db2.gz PGJPFMDCXNLGDI-UHFFFAOYSA-N 0 0 301.350 0.878 50 0 DCAARN CNC(=O)NC(=O)Cn1nc(-c2ccc(C)s2)ccc1=O ZINC000058191060 184086013 /nfs/dbraw/zinc/08/60/13/184086013.db2.gz VTCYMLWXAJPBOG-UHFFFAOYSA-N 0 0 306.347 0.736 50 0 DCAARN CCNC(=O)NC(=O)Cn1nnc(-c2ccc(F)c(C)c2)n1 ZINC000058210858 184088957 /nfs/dbraw/zinc/08/89/57/184088957.db2.gz ZDDFEOWDEGDMMJ-UHFFFAOYSA-N 0 0 306.301 0.633 50 0 DCAARN C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccncc1 ZINC000058225673 184090228 /nfs/dbraw/zinc/09/02/28/184090228.db2.gz ZVYDMTKUQDIADJ-JTQLQIEISA-N 0 0 312.333 0.402 50 0 DCAARN Cc1nccc(C(=O)NCCNC(=O)COc2ccccc2)n1 ZINC000058159452 184082295 /nfs/dbraw/zinc/08/22/95/184082295.db2.gz VMHRHSDETQJYDB-UHFFFAOYSA-N 0 0 314.345 0.710 50 0 DCAARN COC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000058379836 184110580 /nfs/dbraw/zinc/11/05/80/184110580.db2.gz BQPDNQKODHZRLM-OLZOCXBDSA-N 0 0 313.398 0.884 50 0 DCAARN O=C(Cc1ccc(-n2cnnn2)cc1)NO[C@@H]1CCCCO1 ZINC000058390643 184111105 /nfs/dbraw/zinc/11/11/05/184111105.db2.gz RWEWJZAZZUDWQN-CQSZACIVSA-N 0 0 303.322 0.779 50 0 DCAARN CN1N=C(C(=O)NCc2ccc(-n3ccnc3)nc2)CCC1=O ZINC000058264804 184095928 /nfs/dbraw/zinc/09/59/28/184095928.db2.gz MVOLPVGLIYUMES-UHFFFAOYSA-N 0 0 312.333 0.492 50 0 DCAARN CN1CCO[C@@H](CNC(=O)COc2ccc(F)cc2F)C1 ZINC000058295293 184101833 /nfs/dbraw/zinc/10/18/33/184101833.db2.gz DGCKIKZKDIGNCC-NSHDSACASA-N 0 0 300.305 0.790 50 0 DCAARN CCN(CC)S(=O)(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000058328853 184105843 /nfs/dbraw/zinc/10/58/43/184105843.db2.gz YDZVLMYBGIWPJM-RWMBFGLXSA-N 0 0 307.460 0.660 50 0 DCAARN CCN(C(=O)CSC1=NCCS1)[C@H]1CCS(=O)(=O)C1 ZINC000058406170 184113865 /nfs/dbraw/zinc/11/38/65/184113865.db2.gz ULDKDIAFCBKGMC-VIFPVBQESA-N 0 0 322.477 0.858 50 0 DCAARN Cc1ccc(C)c(CS(=O)(=O)CC(=O)N2CCNC(=O)C2)c1 ZINC000058593219 184124057 /nfs/dbraw/zinc/12/40/57/184124057.db2.gz JASUXZLMEPXJBP-UHFFFAOYSA-N 0 0 324.402 0.177 50 0 DCAARN CCN(Cc1ccccc1)C(=O)CN1CCS(=O)(=O)CC1 ZINC000059289633 184136162 /nfs/dbraw/zinc/13/61/62/184136162.db2.gz CQUGYGIOBKZCGK-UHFFFAOYSA-N 0 0 310.419 0.766 50 0 DCAARN Cc1cccc(C)c1OC[C@@H](O)CNc1ccc2nnnn2n1 ZINC000060081927 184144141 /nfs/dbraw/zinc/14/41/41/184144141.db2.gz BKESRZXKESPMRZ-LBPRGKRZSA-N 0 0 314.349 0.988 50 0 DCAARN Cc1nn(C)c2ncc(NC(=O)NCCN3CCOCC3)cc12 ZINC000061404153 184170130 /nfs/dbraw/zinc/17/01/30/184170130.db2.gz XLAZWCSTMLIXGA-UHFFFAOYSA-N 0 0 318.381 0.730 50 0 DCAARN O=S(=O)(Cc1ccc(F)cc1)NCc1nnc2n1CCC2 ZINC000065393136 184333689 /nfs/dbraw/zinc/33/36/89/184333689.db2.gz PHYVFYIASIKGCH-UHFFFAOYSA-N 0 0 310.354 0.983 50 0 DCAARN Cc1noc(C)c1CCC(=O)N1CCN2CCN(C)C(=O)[C@H]2C1 ZINC000065388005 184333696 /nfs/dbraw/zinc/33/36/96/184333696.db2.gz QKZSOJAYTCOGGW-CQSZACIVSA-N 0 0 320.393 0.209 50 0 DCAARN CN(C)Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C(=O)[O-])C2)o1 ZINC000065395716 184335102 /nfs/dbraw/zinc/33/51/02/184335102.db2.gz MHISDEFAJDBBIV-ZBEGNZNMSA-N 0 0 321.377 0.430 50 0 DCAARN CC(C)c1ncncc1C(=O)NCCN1CCCS1(=O)=O ZINC000065412815 184340486 /nfs/dbraw/zinc/34/04/86/184340486.db2.gz NRLDYNGNXQGXOC-UHFFFAOYSA-N 0 0 312.395 0.365 50 0 DCAARN CCC(=O)N1CCCN(Cc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000065415562 184340967 /nfs/dbraw/zinc/34/09/67/184340967.db2.gz OENINKSKFVSVFV-UHFFFAOYSA-N 0 0 318.381 0.101 50 0 DCAARN Cc1nn(C)c(C)c1-c1cc(C(=O)NC(C)(C)C(N)=O)[nH]n1 ZINC000065449493 184346186 /nfs/dbraw/zinc/34/61/86/184346186.db2.gz BZANHHJADQYCEY-UHFFFAOYSA-N 0 0 304.354 0.421 50 0 DCAARN CC(C)CN1C[C@H](C(=O)N[C@H]2CCc3nccn3C2)CC1=O ZINC000065463251 184349579 /nfs/dbraw/zinc/34/95/79/184349579.db2.gz WNRFVCLZDNZXLQ-OLZOCXBDSA-N 0 0 304.394 0.819 50 0 DCAARN CC(C)CS(=O)(=O)CCC(=O)Nc1ccc(=O)n(C)c1 ZINC000065472959 184350640 /nfs/dbraw/zinc/35/06/40/184350640.db2.gz CKXDONLYFYEGAT-UHFFFAOYSA-N 0 0 300.380 0.785 50 0 DCAARN CC(C)[C@H](CNC(=O)N[C@H](C)Cn1ccnc1)N1CCOCC1 ZINC000065399561 184336751 /nfs/dbraw/zinc/33/67/51/184336751.db2.gz RCNJRXSCGTYODO-CABCVRRESA-N 0 0 323.441 0.928 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](NC(=O)Cn2ncc3ccccc32)CN1C ZINC000065492155 184354094 /nfs/dbraw/zinc/35/40/94/184354094.db2.gz GFPRFFJTUNGTNP-OCCSQVGLSA-N 0 0 316.361 0.398 50 0 DCAARN C[C@H](NC(=O)c1sccc1NC(=O)c1ccncc1)C(N)=O ZINC000065520608 184359269 /nfs/dbraw/zinc/35/92/69/184359269.db2.gz RBUPQWVQZQCHEU-QMMMGPOBSA-N 0 0 318.358 0.999 50 0 DCAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCSCC1 ZINC000065550457 184364490 /nfs/dbraw/zinc/36/44/90/184364490.db2.gz WFPHXPPFOJHUKF-UHFFFAOYSA-N 0 0 311.407 0.817 50 0 DCAARN Cc1noc(CN2CCN(CC(=O)NC3CCCC3)CC2)n1 ZINC000065549040 184364499 /nfs/dbraw/zinc/36/44/99/184364499.db2.gz UJBFIHUFXBWVPE-UHFFFAOYSA-N 0 0 307.398 0.554 50 0 DCAARN CC(=O)N[C@H]1CCCN(C(=O)NCc2cccnc2N(C)C)C1 ZINC000065554648 184366241 /nfs/dbraw/zinc/36/62/41/184366241.db2.gz FKULORPEZJONEK-AWEZNQCLSA-N 0 0 319.409 0.958 50 0 DCAARN Nc1nc2c(c(-c3cccnc3)n1)CN(C(=O)[C@@H]1CCOC1)C2 ZINC000067540278 184470787 /nfs/dbraw/zinc/47/07/87/184470787.db2.gz CEKHDDBSGPDLTM-LLVKDONJSA-N 0 0 311.345 1.000 50 0 DCAARN O=S1(=O)C[C@H]2[C@@H](C1)NC(=S)N2CCc1ccc(F)cc1 ZINC000009341316 285074035 /nfs/dbraw/zinc/07/40/35/285074035.db2.gz UKYNTADNGSLVPI-NEPJUHHUSA-N 0 0 314.407 0.724 50 0 DCAARN CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCn1ccnn1 ZINC000347172277 254136096 /nfs/dbraw/zinc/13/60/96/254136096.db2.gz SLXLPZNGUZPSTC-MELADBBJSA-N 0 0 308.382 0.711 50 0 DCAARN Cc1ccc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)c(=O)[nH]1 ZINC000154141444 196941684 /nfs/dbraw/zinc/94/16/84/196941684.db2.gz ILEITWAMRYVEAM-LBPRGKRZSA-N 0 0 315.377 0.816 50 0 DCAARN CC(CO)(CO)NC(=O)/C=C/c1ccc(-n2ccnc2)cc1 ZINC000120686775 195217003 /nfs/dbraw/zinc/21/70/03/195217003.db2.gz HXGINBYHERRSAV-QPJJXVBHSA-N 0 0 301.346 0.745 50 0 DCAARN Cc1ccc(CN2C[C@H](C(=O)N3CC(CO)C3)CC2=O)cc1 ZINC000096012154 256552478 /nfs/dbraw/zinc/55/24/78/256552478.db2.gz SSQUEEBXPYYMNV-OAHLLOKOSA-N 0 0 302.374 0.794 50 0 DCAARN Cn1cc(CNC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cn1 ZINC000098014434 256558900 /nfs/dbraw/zinc/55/89/00/256558900.db2.gz XIUCKFOFRNXUPU-CYBMUJFWSA-N 0 0 317.397 0.622 50 0 DCAARN COCCn1cnc2ccc(NC3=CC(=O)NC3)cc2c1=O ZINC000524734972 257213192 /nfs/dbraw/zinc/21/31/92/257213192.db2.gz WBVMIHXKEQIAJG-UHFFFAOYSA-N 0 0 300.318 0.469 50 0 DCAARN O=C(CCCn1cnnn1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000524733440 257214205 /nfs/dbraw/zinc/21/42/05/257214205.db2.gz SEQHEGXHZLSPTI-UHFFFAOYSA-N 0 0 302.294 0.423 50 0 DCAARN Cc1nc([C@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)c(C)s1 ZINC000222585932 257274557 /nfs/dbraw/zinc/27/45/57/257274557.db2.gz RYNWTOJRVZXIOO-LURJTMIESA-N 0 0 308.363 0.638 50 0 DCAARN Cc1nnnn1Cc1ccc(C(=O)NCCn2cccn2)cc1 ZINC000426719854 257243656 /nfs/dbraw/zinc/24/36/56/257243656.db2.gz LDCPSPUJRBXXRZ-UHFFFAOYSA-N 0 0 311.349 0.656 50 0 DCAARN O=C([C@H]1CCS(=O)(=O)C1)N1CCC(Cn2ccnc2)CC1 ZINC000426707537 257243665 /nfs/dbraw/zinc/24/36/65/257243665.db2.gz WRRFWUMEHOXCGT-ZDUSSCGKSA-N 0 0 311.407 0.556 50 0 DCAARN CC(C)Cc1noc(CNC(=O)[C@H]2CCS(=O)(=O)C2)n1 ZINC000426707186 257243836 /nfs/dbraw/zinc/24/38/36/257243836.db2.gz KSKOJNQRCGJOTD-VIFPVBQESA-N 0 0 301.368 0.319 50 0 DCAARN C[C@@H](C(=O)NCc1cnc2c(c1)CCC2)N1CCN(C)CC1 ZINC000426615189 257245020 /nfs/dbraw/zinc/24/50/20/257245020.db2.gz QUSLNCOMKQWYQZ-ZDUSSCGKSA-N 0 0 302.422 0.822 50 0 DCAARN CCn1c(C)ccc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c1=O ZINC000426615195 257245266 /nfs/dbraw/zinc/24/52/66/257245266.db2.gz RNMVTFWEYPYXTJ-LLVKDONJSA-N 0 0 305.334 0.453 50 0 DCAARN CN1CCN(CC(=O)N(CCCO)Cc2cccnc2)C1=O ZINC000426547591 257246802 /nfs/dbraw/zinc/24/68/02/257246802.db2.gz HTNNGANURXIVNX-UHFFFAOYSA-N 0 0 306.366 0.160 50 0 DCAARN Cc1nn(C)c(C(=O)NC[C@@H]2COCC[N@H+](C)C2)c1Cl ZINC000426544459 257246832 /nfs/dbraw/zinc/24/68/32/257246832.db2.gz RKBYDDDBEFOCOK-JTQLQIEISA-N 0 0 300.790 0.690 50 0 DCAARN Cc1c(C(=O)NCCCn2ccnn2)sc2[nH]cnc(=O)c12 ZINC000426526084 257247981 /nfs/dbraw/zinc/24/79/81/257247981.db2.gz KTTHNHKWDFTWFP-UHFFFAOYSA-N 0 0 318.362 0.705 50 0 DCAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC2(C1)CNC(=O)N2 ZINC000426479700 257249029 /nfs/dbraw/zinc/24/90/29/257249029.db2.gz JBRMUDWXFIKWET-UHFFFAOYSA-N 0 0 315.308 0.723 50 0 DCAARN OCCNc1nc(NC2CCCCC2)cc([C@@H]2CCOC2)n1 ZINC000426429840 257250295 /nfs/dbraw/zinc/25/02/95/257250295.db2.gz QHXOPLIVIIUBHQ-GFCCVEGCSA-N 0 0 306.410 0.973 50 0 DCAARN Cc1nonc1OCCNC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000426381385 257252659 /nfs/dbraw/zinc/25/26/59/257252659.db2.gz CCSYDVWLKYBIAN-LLVKDONJSA-N 0 0 316.317 0.999 50 0 DCAARN C[C@@H](C(=O)NCC(N)=O)n1cc(COc2ccccc2)nn1 ZINC000257173068 257257785 /nfs/dbraw/zinc/25/77/85/257257785.db2.gz BZDJGDAHHGUKSU-JTQLQIEISA-N 0 0 303.322 0.020 50 0 DCAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000252512331 257258378 /nfs/dbraw/zinc/25/83/78/257258378.db2.gz PJHADRCTVVQZEI-IJLUTSLNSA-N 0 0 324.468 0.376 50 0 DCAARN COc1ccc(OCCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000016437809 257268592 /nfs/dbraw/zinc/26/85/92/257268592.db2.gz IHRROHGRPBRJSS-UHFFFAOYSA-N 0 0 314.407 0.651 50 0 DCAARN O[C@H](CN1CCCN(C[C@H](O)C(F)(F)F)CC1)C(F)(F)F ZINC000020218601 257268957 /nfs/dbraw/zinc/26/89/57/257268957.db2.gz WIMBFQAYZDLXAW-DTORHVGOSA-N 0 0 324.265 0.841 50 0 DCAARN CN1CC[NH+](C[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)[O-])CC1 ZINC000071282766 257270340 /nfs/dbraw/zinc/27/03/40/257270340.db2.gz UPAQLWJMTNRECG-GFCCVEGCSA-N 0 0 321.377 0.669 50 0 DCAARN COc1ccnc(NCCCn2nc3n(c2=O)CCCC3)n1 ZINC000071819379 184851224 /nfs/dbraw/zinc/85/12/24/184851224.db2.gz NDWSJMWPHZRGCV-UHFFFAOYSA-N 0 0 304.354 0.682 50 0 DCAARN Cc1ccccc1[C@H](CC(=O)NC(C)(C)C(N)=O)NC(N)=O ZINC000071824266 184855415 /nfs/dbraw/zinc/85/54/15/184855415.db2.gz MULCOKIDTSOLQN-NSHDSACASA-N 0 0 306.366 0.475 50 0 DCAARN CCc1cc(N2CCC[C@H](N3CCNC3=O)C2)n2ncnc2n1 ZINC000071840984 184865509 /nfs/dbraw/zinc/86/55/09/184865509.db2.gz USXUSTLQYINFSJ-LBPRGKRZSA-N 0 0 315.381 0.681 50 0 DCAARN O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H]1Cn1cccn1 ZINC000071866403 184876117 /nfs/dbraw/zinc/87/61/17/184876117.db2.gz AXDQMFKRZSNTHC-JSGCOSHPSA-N 0 0 302.378 0.885 50 0 DCAARN C[C@H](O)CN1CCN(CC(=O)N2CCc3sccc3C2)CC1 ZINC000069698126 184837464 /nfs/dbraw/zinc/83/74/64/184837464.db2.gz SKCZIFKODFLTMN-ZDUSSCGKSA-N 0 0 323.462 0.631 50 0 DCAARN CO[C@]12CCN(C(=O)c3[nH]nc4c3COCC4)[C@H]1C[C@H](O)CC2 ZINC000299777509 533383906 /nfs/dbraw/zinc/38/39/06/533383906.db2.gz NCVOYTAJXFDCCC-AKWBHNSASA-N 0 0 321.377 0.627 50 0 DCAARN COC(=O)CN1CCC[C@@H](CNC(=O)c2nc(C)oc2C)C1 ZINC000408521233 533506001 /nfs/dbraw/zinc/50/60/01/533506001.db2.gz MSTDHVFMDQBFPL-LBPRGKRZSA-N 0 0 309.366 0.906 50 0 DCAARN Cc1[nH]c(C(=O)N2CCOC[C@@H](C[NH+](C)C)C2)c(C)c1C(=O)[O-] ZINC000299795717 533605523 /nfs/dbraw/zinc/60/55/23/533605523.db2.gz KWBYOKKPHJWBKI-LBPRGKRZSA-N 0 0 323.393 0.980 50 0 DCAARN O=S1(=O)C[C@@H]2NC(=S)N(CCc3ccc(F)cc3)[C@@H]2C1 ZINC000009341312 296493028 /nfs/dbraw/zinc/49/30/28/296493028.db2.gz UKYNTADNGSLVPI-NWDGAFQWSA-N 0 0 314.407 0.724 50 0 DCAARN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCNC(=O)C1 ZINC000012549274 134507563 /nfs/dbraw/zinc/50/75/63/134507563.db2.gz XMOVRIBKPIYDMZ-CQSZACIVSA-N 0 0 316.405 0.156 50 0 DCAARN COC[C@@H](C)NC(=O)C1=NN(c2ccc(C)cc2)C(=O)CN1 ZINC000032660614 134682329 /nfs/dbraw/zinc/68/23/29/134682329.db2.gz XWPKDGFQGMJLDF-LLVKDONJSA-N 0 0 304.350 0.396 50 0 DCAARN COc1cccc(N2C[C@H](C(=O)N3CCOCC3)CC2=O)c1 ZINC000008247510 395684249 /nfs/dbraw/zinc/68/42/49/395684249.db2.gz MKFJDPAEEZDHLX-GFCCVEGCSA-N 0 0 304.346 0.907 50 0 DCAARN C[C@H]1CCCCN1C(=O)Cn1nnn(-c2ccccc2)c1=O ZINC000008251160 395684301 /nfs/dbraw/zinc/68/43/01/395684301.db2.gz NMCLDMCTJNAVKF-LBPRGKRZSA-N 0 0 301.350 0.830 50 0 DCAARN CCCNC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000008514548 395684617 /nfs/dbraw/zinc/68/46/17/395684617.db2.gz LYABEIAKEPDPTE-UHFFFAOYSA-N 0 0 313.379 0.450 50 0 DCAARN O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)NC1CC1 ZINC000008517728 395684702 /nfs/dbraw/zinc/68/47/02/395684702.db2.gz KGGCLMOKPFQWAU-UHFFFAOYSA-N 0 0 304.375 0.990 50 0 DCAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ncccc1O ZINC000009220556 395685144 /nfs/dbraw/zinc/68/51/44/395685144.db2.gz RPMMMEYHEARINO-UHFFFAOYSA-N 0 0 315.285 0.884 50 0 DCAARN Cn1c2ncn(Cc3nccn3C(F)F)c2c(=O)n(C)c1=O ZINC000009115007 395685171 /nfs/dbraw/zinc/68/51/71/395685171.db2.gz MYVMQZQRXHPUKU-UHFFFAOYSA-N 0 0 310.264 0.074 50 0 DCAARN Nc1nc2c(c(=O)[nH]1)[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000009318137 395685312 /nfs/dbraw/zinc/68/53/12/395685312.db2.gz VGKORTWRSRSTNW-SSDOTTSWSA-N 0 0 300.274 0.555 50 0 DCAARN O=C(Cn1nnc(-c2cccc(F)c2)n1)NC[C@H]1CCCO1 ZINC000009576905 395685485 /nfs/dbraw/zinc/68/54/85/395685485.db2.gz ZPXVDKBZIWPSII-GFCCVEGCSA-N 0 0 305.313 0.774 50 0 DCAARN CCN1C(=O)C[C@@H](N(C)CC(=O)Nc2cccc(OC)c2)C1=O ZINC000010168258 395685882 /nfs/dbraw/zinc/68/58/82/395685882.db2.gz FWZONMFGJXQBPP-CYBMUJFWSA-N 0 0 319.361 0.713 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000010753654 395686166 /nfs/dbraw/zinc/68/61/66/395686166.db2.gz QLMRLHQHMKSNOS-JTQLQIEISA-N 0 0 301.368 0.533 50 0 DCAARN C[C@H]1CN(C(=O)COC(=O)c2ccc(C(N)=O)cc2)CCO1 ZINC000011505999 395686631 /nfs/dbraw/zinc/68/66/31/395686631.db2.gz HLDHQOYCYGYUPH-JTQLQIEISA-N 0 0 306.318 0.190 50 0 DCAARN COc1cccc(C(=O)NCCn2ncccc2=O)c1OC ZINC000011856242 395686838 /nfs/dbraw/zinc/68/68/38/395686838.db2.gz BTPBOFLPFQFSEX-UHFFFAOYSA-N 0 0 303.318 0.691 50 0 DCAARN CCS(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)N(C)C ZINC000012196492 395687183 /nfs/dbraw/zinc/68/71/83/395687183.db2.gz WOXNTZSVKQPBEE-NSHDSACASA-N 0 0 300.380 0.957 50 0 DCAARN O=C(Cn1ccnc1)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000012305397 395687477 /nfs/dbraw/zinc/68/74/77/395687477.db2.gz YESWRNPQBRLJNP-HNNXBMFYSA-N 0 0 324.384 0.768 50 0 DCAARN C[C@H](C(N)=O)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000012380304 395687568 /nfs/dbraw/zinc/68/75/68/395687568.db2.gz DDFGDBOOAVOZOR-MRVPVSSYSA-N 0 0 300.336 0.098 50 0 DCAARN CNC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000012380550 395687659 /nfs/dbraw/zinc/68/76/59/395687659.db2.gz LLXRUKQZCKKWOX-VIFPVBQESA-N 0 0 314.363 0.358 50 0 DCAARN C[C@@H](C(=O)NC(N)=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000012534726 395687786 /nfs/dbraw/zinc/68/77/86/395687786.db2.gz FRWXZFLRNJZUGD-LBPRGKRZSA-N 0 0 320.393 0.538 50 0 DCAARN CCOC(=O)CCCNC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000012695156 395687907 /nfs/dbraw/zinc/68/79/07/395687907.db2.gz WCOAQVRMQXAJRG-UHFFFAOYSA-N 0 0 317.349 0.800 50 0 DCAARN CCN(CCn1cccn1)C(=O)[C@@H]1CCC(=O)N(CCOC)C1 ZINC000012701509 395687947 /nfs/dbraw/zinc/68/79/47/395687947.db2.gz SCLUYKOVCUHRMN-CQSZACIVSA-N 0 0 322.409 0.617 50 0 DCAARN Cc1ccccc1NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000012887116 395688087 /nfs/dbraw/zinc/68/80/87/395688087.db2.gz IJBZZGNKSFTFIG-UHFFFAOYSA-N 0 0 311.407 0.511 50 0 DCAARN Cc1cc(NC(=O)N2CCN(CC(=O)NCC(C)C)CC2)no1 ZINC000012933059 395688149 /nfs/dbraw/zinc/68/81/49/395688149.db2.gz KQIFBZYOBKHWPS-UHFFFAOYSA-N 0 0 323.397 0.905 50 0 DCAARN CN(CCOc1ccc(F)cc1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000012948652 395688285 /nfs/dbraw/zinc/68/82/85/395688285.db2.gz XINYBDFOAWDZQM-UHFFFAOYSA-N 0 0 321.308 0.213 50 0 DCAARN CCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1 ZINC000012998488 395688345 /nfs/dbraw/zinc/68/83/45/395688345.db2.gz KDVPCOZIRXIGDG-UHFFFAOYSA-N 0 0 314.407 0.384 50 0 DCAARN O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)N1CCOCC1 ZINC000013807972 395688978 /nfs/dbraw/zinc/68/89/78/395688978.db2.gz ZKAJARIJSLBZJE-UHFFFAOYSA-N 0 0 317.320 0.908 50 0 DCAARN Cc1cc(NC(=O)CSc2nnnn2C[C@H]2CCCO2)no1 ZINC000014084672 395689086 /nfs/dbraw/zinc/68/90/86/395689086.db2.gz ASGLZZUCIZELBW-SECBINFHSA-N 0 0 324.366 0.879 50 0 DCAARN CCCn1c(N)c(C(=O)CN2CCC[C@@H](C)C2)c(=O)[nH]c1=O ZINC000014095148 395689087 /nfs/dbraw/zinc/68/90/87/395689087.db2.gz NJABIBPSKYSSED-SNVBAGLBSA-N 0 0 308.382 0.443 50 0 DCAARN CCN1CCN(C(=O)C[C@H]2CSc3nc(C)cc(=O)n32)CC1 ZINC000014031441 395689162 /nfs/dbraw/zinc/68/91/62/395689162.db2.gz XXKXTQZUAUQNCL-LBPRGKRZSA-N 0 0 322.434 0.753 50 0 DCAARN Nc1nc(N)nc(SCC(=O)N2CCc3sccc3C2)n1 ZINC000014142192 395689213 /nfs/dbraw/zinc/68/92/13/395689213.db2.gz BNVJCIZFCYKWKP-UHFFFAOYSA-N 0 0 322.419 0.775 50 0 DCAARN CCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3)CN2C1=O ZINC000014754049 395689593 /nfs/dbraw/zinc/68/95/93/395689593.db2.gz ZIDKYXXFFVVJGX-IHRRRGAJSA-N 0 0 315.373 0.684 50 0 DCAARN COc1cc([C@@H]2ON=C(C(N)=O)[C@H]2C)c(OC)c2c1OCO2 ZINC000015081604 395689777 /nfs/dbraw/zinc/68/97/77/395689777.db2.gz GQCSZFIIOQVORT-LHLIQPBNSA-N 0 0 308.290 0.981 50 0 DCAARN CC(=O)N1CCC(NC(=O)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000015091335 395689811 /nfs/dbraw/zinc/68/98/11/395689811.db2.gz AXIKGJWPPKCYIY-UHFFFAOYSA-N 0 0 314.345 0.664 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(N)=O)CC2)s1 ZINC000015097959 395689836 /nfs/dbraw/zinc/68/98/36/395689836.db2.gz KWKOCOKKBMJANV-SNVBAGLBSA-N 0 0 317.436 0.237 50 0 DCAARN CCN1CCN(S(=O)(=O)c2cnc(NC(C)=O)s2)CC1 ZINC000016622980 395690476 /nfs/dbraw/zinc/69/04/76/395690476.db2.gz WXLIDIAOMHZSEU-UHFFFAOYSA-N 0 0 318.424 0.428 50 0 DCAARN CN1C(=O)[C@@H]2CN(CCc3ccccc3)CN[C@H]2N(C)C1=O ZINC000019324470 395691084 /nfs/dbraw/zinc/69/10/84/395691084.db2.gz ZBNKICCIUZBYMP-KGLIPLIRSA-N 0 0 302.378 0.558 50 0 DCAARN Cc1nnc2ccc(N3CCC(C(=O)NC4CC4)CC3)nn12 ZINC000020735701 395691342 /nfs/dbraw/zinc/69/13/42/395691342.db2.gz SUHRCGRJIRSHRG-UHFFFAOYSA-N 0 0 300.366 0.928 50 0 DCAARN O=C1CN(C(=S)NCCN2CCOCC2)c2ccccc2N1 ZINC000021743299 395691551 /nfs/dbraw/zinc/69/15/51/395691551.db2.gz XNQWFEAKGYBPBV-UHFFFAOYSA-N 0 0 320.418 0.652 50 0 DCAARN CN1C(=O)C(=O)N(CN2CCN(c3ccccc3)CC2)C1=O ZINC000023381525 395692509 /nfs/dbraw/zinc/69/25/09/395692509.db2.gz SIUQVVIDOFWGLG-UHFFFAOYSA-N 0 0 302.334 0.187 50 0 DCAARN COC(=O)c1ccc2c(c1)CCN2C(=O)CN1CSCC1=O ZINC000025181981 395693221 /nfs/dbraw/zinc/69/32/21/395693221.db2.gz UNBXAODDVMFOPW-UHFFFAOYSA-N 0 0 320.370 0.895 50 0 DCAARN CCOC(=O)N1CCN(Cc2oc(CO)cc(=O)c2O)CC1 ZINC000000038268 395679614 /nfs/dbraw/zinc/67/96/14/395679614.db2.gz PBBNFPFIUACSDL-UHFFFAOYSA-N 0 0 312.322 0.112 50 0 DCAARN O=C([O-])COCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000000069758 395679669 /nfs/dbraw/zinc/67/96/69/395679669.db2.gz XKAGNABWBRPPCT-UHFFFAOYSA-N 0 0 306.362 0.868 50 0 DCAARN COC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1OC ZINC000000169663 395680005 /nfs/dbraw/zinc/68/00/05/395680005.db2.gz LYRNUQVYDHQXSW-UHFFFAOYSA-N 0 0 321.376 0.564 50 0 DCAARN COC(=O)c1nnn(CC(=O)Nc2cccc(C)c2C)c1N ZINC000000248847 395680096 /nfs/dbraw/zinc/68/00/96/395680096.db2.gz HJJLCGYYNPQUSM-UHFFFAOYSA-N 0 0 303.322 0.902 50 0 DCAARN CC(C)OC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C[C@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000000545314 395680557 /nfs/dbraw/zinc/68/05/57/395680557.db2.gz ODFODHMLWHLQBT-MNLSVMLLSA-N 0 0 321.373 0.899 50 0 DCAARN NC(=O)C1CCN(C(=O)[C@@H]2CC(c3ccccc3O)=NO2)CC1 ZINC000000815006 395680646 /nfs/dbraw/zinc/68/06/46/395680646.db2.gz GGIVGBOIBFVZBA-AWEZNQCLSA-N 0 0 317.345 0.609 50 0 DCAARN C[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000001019708 395680664 /nfs/dbraw/zinc/68/06/64/395680664.db2.gz KCLVXHCFONOWPE-NXEZZACHSA-N 0 0 301.339 0.896 50 0 DCAARN COc1ccccc1O[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000001144777 395680708 /nfs/dbraw/zinc/68/07/08/395680708.db2.gz JPTZUPQZBMEEBB-WDEREUQCSA-N 0 0 313.375 0.766 50 0 DCAARN COC(=O)CSC[C@@H](NC(=O)c1ccccc1)C(=O)OC ZINC000002048616 395681222 /nfs/dbraw/zinc/68/12/22/395681222.db2.gz UGVRTIQVOVBKSL-LLVKDONJSA-N 0 0 311.359 0.864 50 0 DCAARN CCOc1ccc([C@@H]2NC(=O)N(CC(=O)N(C)C)C2=O)cc1 ZINC000002645081 395681664 /nfs/dbraw/zinc/68/16/64/395681664.db2.gz RKIWEWOOGUJFBG-ZDUSSCGKSA-N 0 0 305.334 0.766 50 0 DCAARN COc1cc(OC)cc(C(=O)NCC(=O)O[C@@H]2CCOC2=O)c1 ZINC000002658578 395681812 /nfs/dbraw/zinc/68/18/12/395681812.db2.gz CLSSJHSBQJQNDV-GFCCVEGCSA-N 0 0 323.301 0.292 50 0 DCAARN Cc1cnc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cn1 ZINC000003235704 395682384 /nfs/dbraw/zinc/68/23/84/395682384.db2.gz MEOLQMJNCAREQS-UHFFFAOYSA-N 0 0 314.301 0.679 50 0 DCAARN CC(C)(C)c1ccc2cc(C(=O)NC(C(N)=O)C(N)=O)[nH]c2c1 ZINC000029823995 395699876 /nfs/dbraw/zinc/69/98/76/395699876.db2.gz VIXYZULYHYTTGD-UHFFFAOYSA-N 0 0 316.361 0.534 50 0 DCAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1cn[nH]c1 ZINC000029692021 395700068 /nfs/dbraw/zinc/70/00/68/395700068.db2.gz IOMSSUPETUUOQE-UHFFFAOYSA-N 0 0 305.319 0.087 50 0 DCAARN Cn1c2nc(C(=O)Nc3ccccc3)ccc2c(=O)n(C)c1=O ZINC000029959734 395701003 /nfs/dbraw/zinc/70/10/03/395701003.db2.gz HRSVWRQQNGIAQX-UHFFFAOYSA-N 0 0 310.313 0.885 50 0 DCAARN O=C(NCc1cccnc1)[C@@H]1CSc2nccc(=O)n2C1 ZINC000085473967 395701572 /nfs/dbraw/zinc/70/15/72/395701572.db2.gz HIHZBSJFVPEFPR-NSHDSACASA-N 0 0 302.359 0.677 50 0 DCAARN Cc1cnc2n(c1=O)C[C@H](C(=O)NCc1ccccn1)CS2 ZINC000085473670 395701667 /nfs/dbraw/zinc/70/16/67/395701667.db2.gz WEQJKUHKVKXEIB-NSHDSACASA-N 0 0 316.386 0.985 50 0 DCAARN CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H](C)[NH3+])C(C)C)C(=O)[O-] ZINC000030836174 395704413 /nfs/dbraw/zinc/70/44/13/395704413.db2.gz RFJNDTQGEJRBHO-OUAUKWLOSA-N 0 0 301.387 0.090 50 0 DCAARN CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NC)cc2)CCO1 ZINC000030762954 395704442 /nfs/dbraw/zinc/70/44/42/395704442.db2.gz ZGMJGZXAVBUFKU-LBPRGKRZSA-N 0 0 312.391 0.846 50 0 DCAARN O=C(CN1CCCC1=O)NCCc1ccc2c(c1)OCCO2 ZINC000031352279 395706766 /nfs/dbraw/zinc/70/67/66/395706766.db2.gz MSHWLTBBUQEUBB-UHFFFAOYSA-N 0 0 304.346 0.739 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccn(-c2ccc(F)cc2)n1 ZINC000031613352 395707260 /nfs/dbraw/zinc/70/72/60/395707260.db2.gz ZHYKTEJPSNKLHK-LLVKDONJSA-N 0 0 323.349 0.928 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)NCc2ccccc2F)CC1 ZINC000031724028 395708195 /nfs/dbraw/zinc/70/81/95/395708195.db2.gz LRKVNZIUHZUOEW-UHFFFAOYSA-N 0 0 315.370 0.613 50 0 DCAARN O=C(NC1CCCCC1)N1CCN(CC2(CO)COC2)CC1 ZINC000089102965 395708420 /nfs/dbraw/zinc/70/84/20/395708420.db2.gz DLOKYHNLONGQMT-UHFFFAOYSA-N 0 0 311.426 0.655 50 0 DCAARN COCCNC(=O)c1nc(COc2c(=O)ccoc2C)no1 ZINC000032102776 395709498 /nfs/dbraw/zinc/70/94/98/395709498.db2.gz APKZDQRUUZUZEN-UHFFFAOYSA-N 0 0 309.278 0.286 50 0 DCAARN CN(C)c1cc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)ccn1 ZINC000089322969 395709940 /nfs/dbraw/zinc/70/99/40/395709940.db2.gz QYMHVZSJZHURSY-LSDHHAIUSA-N 0 0 318.421 0.819 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)NCCN1CCCCCC1=O ZINC000032443901 395711206 /nfs/dbraw/zinc/71/12/06/395711206.db2.gz DQNXKMKHQDYXIO-UHFFFAOYSA-N 0 0 315.395 0.972 50 0 DCAARN Cc1ccc2nonc2c1S(=O)(=O)NCc1cnn(C)c1 ZINC000032579221 395711541 /nfs/dbraw/zinc/71/15/41/395711541.db2.gz IHZITOCKYKXUJW-UHFFFAOYSA-N 0 0 307.335 0.743 50 0 DCAARN NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC2)c1 ZINC000032780916 395713289 /nfs/dbraw/zinc/71/32/89/395713289.db2.gz XQWWXDHMMYDSFG-UHFFFAOYSA-N 0 0 319.180 0.942 50 0 DCAARN Cc1cc([C@](C)(O)CNS(=O)(=O)c2cn(C)cn2)c(C)o1 ZINC000089580382 395713324 /nfs/dbraw/zinc/71/33/24/395713324.db2.gz LZLZYYWIVBMWDY-CYBMUJFWSA-N 0 0 313.379 0.816 50 0 DCAARN COc1ccc(NC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000032796844 395713695 /nfs/dbraw/zinc/71/36/95/395713695.db2.gz SRSBUJSIYBYKMB-CYBMUJFWSA-N 0 0 309.366 0.510 50 0 DCAARN Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c(O)c1 ZINC000032870572 395714149 /nfs/dbraw/zinc/71/41/49/395714149.db2.gz ZLGMUYWTUHIBLJ-UHFFFAOYSA-N 0 0 303.318 0.957 50 0 DCAARN CCOc1ccccc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC ZINC000032860193 395714319 /nfs/dbraw/zinc/71/43/19/395714319.db2.gz QRWXDWQNTLCSNT-LBPRGKRZSA-N 0 0 320.345 0.589 50 0 DCAARN Nc1nccnc1C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000032913501 395714438 /nfs/dbraw/zinc/71/44/38/395714438.db2.gz ZWBSAWBSYXLWFD-UHFFFAOYSA-N 0 0 312.333 0.247 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)C2CCCC2)C[C@@H](C)O1 ZINC000032914983 395714607 /nfs/dbraw/zinc/71/46/07/395714607.db2.gz HVSUHQJQXRLIIG-VXGBXAGGSA-N 0 0 318.439 0.732 50 0 DCAARN C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CCO1 ZINC000032920241 395714670 /nfs/dbraw/zinc/71/46/70/395714670.db2.gz DOQUTMKGDJRIJM-NEPJUHHUSA-N 0 0 316.361 0.572 50 0 DCAARN C[C@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)CN2)CCO1 ZINC000032920308 395714714 /nfs/dbraw/zinc/71/47/14/395714714.db2.gz CMGSAUPTWGBWDV-NSHDSACASA-N 0 0 302.334 0.184 50 0 DCAARN O=C(NCc1nnc2n1CCCCC2)N[C@H]1CCCCNC1=O ZINC000089819334 395715345 /nfs/dbraw/zinc/71/53/45/395715345.db2.gz MJETVQHVIBCSKU-NSHDSACASA-N 0 0 320.397 0.472 50 0 DCAARN COCc1cc(N2CCNC(=O)[C@H]2C(C)C)n2ncnc2n1 ZINC000089801961 395715355 /nfs/dbraw/zinc/71/53/55/395715355.db2.gz UBOKEOGQDICYAH-GFCCVEGCSA-N 0 0 304.354 0.232 50 0 DCAARN O=C(CO)N1CCN(C(=O)Nc2cccc3cccnc32)CC1 ZINC000089808038 395715388 /nfs/dbraw/zinc/71/53/88/395715388.db2.gz MXKKJXCYXPPUQI-UHFFFAOYSA-N 0 0 314.345 0.903 50 0 DCAARN C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCC(C(N)=O)CC1)C2=O ZINC000033029250 395716026 /nfs/dbraw/zinc/71/60/26/395716026.db2.gz NTFROZIUAQQUAJ-MEDUHNTESA-N 0 0 322.409 0.642 50 0 DCAARN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1nnc2n1CCCCC2 ZINC000089913875 395716339 /nfs/dbraw/zinc/71/63/39/395716339.db2.gz QSPLIAFZEFRXOK-WDEREUQCSA-N 0 0 305.382 0.660 50 0 DCAARN CCOC(=O)CNC(=O)N[C@H](C)C(=O)N1CCc2ccccc21 ZINC000033127687 395716398 /nfs/dbraw/zinc/71/63/98/395716398.db2.gz WVJNZAIXFRNLJX-LLVKDONJSA-N 0 0 319.361 0.827 50 0 DCAARN CCOC(=O)CNC(=O)NCC(=O)N1CCc2ccccc21 ZINC000033127773 395716569 /nfs/dbraw/zinc/71/65/69/395716569.db2.gz GPXGOJYWRRYJFB-UHFFFAOYSA-N 0 0 305.334 0.438 50 0 DCAARN NC(=O)c1nnn(-c2ccc(NC(=O)c3ccco3)cc2)c1N ZINC000033435982 395716993 /nfs/dbraw/zinc/71/69/93/395716993.db2.gz UNUGVMOUSQTZNB-UHFFFAOYSA-N 0 0 312.289 0.794 50 0 DCAARN C[C@@H](CNC(=O)NCCCn1cncn1)N1C[C@@H](C)O[C@H](C)C1 ZINC000089930291 395716974 /nfs/dbraw/zinc/71/69/74/395716974.db2.gz AAAGFCYPKRKQSP-BFHYXJOUSA-N 0 0 324.429 0.465 50 0 DCAARN O=S(=O)(/C=C\c1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000033395867 395717022 /nfs/dbraw/zinc/71/70/22/395717022.db2.gz HJZWFMSWPHKQTD-PWWFUAJNSA-N 0 0 301.389 0.764 50 0 DCAARN COc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F ZINC000034019975 395717608 /nfs/dbraw/zinc/71/76/08/395717608.db2.gz UCJFUCMRTLLOEN-GQTRHBFLSA-N 0 0 318.692 0.077 50 0 DCAARN NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000034868060 395718227 /nfs/dbraw/zinc/71/82/27/395718227.db2.gz JWTRHEYCIAQPMW-UHFFFAOYSA-N 0 0 317.798 0.132 50 0 DCAARN O=C(CN1CCN(c2ccccc2)CC1)NC(=O)NC1CC1 ZINC000035278856 395720364 /nfs/dbraw/zinc/72/03/64/395720364.db2.gz CDLYFSOTSTVIQM-UHFFFAOYSA-N 0 0 302.378 0.797 50 0 DCAARN Cn1c(CN2CCCCC2)c(Br)c(=O)n(C)c1=O ZINC000035326768 395720394 /nfs/dbraw/zinc/72/03/94/395720394.db2.gz CCXJWENJKNQBSI-UHFFFAOYSA-N 0 0 316.199 0.832 50 0 DCAARN Cc1cc(NC(=O)CN2CCN(c3ncccn3)CC2)no1 ZINC000036235064 395722920 /nfs/dbraw/zinc/72/29/20/395722920.db2.gz ZANGANJPRPOSTF-UHFFFAOYSA-N 0 0 302.338 0.534 50 0 DCAARN CCNC(=O)N1[C@H](CC(=O)OCC)C(=O)N[C@@H]2CCCC[C@H]21 ZINC000036383760 395723419 /nfs/dbraw/zinc/72/34/19/395723419.db2.gz SQEFPRNRXQHVOA-IJLUTSLNSA-N 0 0 311.382 0.781 50 0 DCAARN CCN1CCN(C(=O)COc2ccc(-n3cnnn3)cc2)CC1 ZINC000027976040 395695516 /nfs/dbraw/zinc/69/55/16/395695516.db2.gz QYISOYOZWKKPRK-UHFFFAOYSA-N 0 0 316.365 0.205 50 0 DCAARN O=C1CNC(=O)N1CCn1nc(-c2ccc(F)cc2)oc1=O ZINC000028015246 395695732 /nfs/dbraw/zinc/69/57/32/395695732.db2.gz UQIVMSUGMOGKLM-UHFFFAOYSA-N 0 0 306.253 0.194 50 0 DCAARN COc1ccc(N[C@@H](C)C(N)=O)cc1S(=O)(=O)N(C)C ZINC000028853243 395696377 /nfs/dbraw/zinc/69/63/77/395696377.db2.gz FNSHFJOZMPMBNV-QMMMGPOBSA-N 0 0 301.368 0.231 50 0 DCAARN C[C@H]1CN(S(=O)(=O)CCNC(=O)C2CCC2)C[C@H](C)O1 ZINC000029188682 395697097 /nfs/dbraw/zinc/69/70/97/395697097.db2.gz OWKYPKZEPFPEQD-QWRGUYRKSA-N 0 0 304.412 0.342 50 0 DCAARN NS(=O)(=O)CCNC(=O)c1cccn1Cc1cccs1 ZINC000084425289 395697278 /nfs/dbraw/zinc/69/72/78/395697278.db2.gz SBPNXPSQCSNTNZ-UHFFFAOYSA-N 0 0 313.404 0.616 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)NCCOc1ccc(F)cc1 ZINC000029296689 395697552 /nfs/dbraw/zinc/69/75/52/395697552.db2.gz RBTARPHVUWDTBQ-NSHDSACASA-N 0 0 309.297 0.309 50 0 DCAARN CCN(C[C@H]1CN(CCn2cncn2)CCO1)c1cccnn1 ZINC000084774635 395699494 /nfs/dbraw/zinc/69/94/94/395699494.db2.gz RONWTKCEMYFJRW-CQSZACIVSA-N 0 0 317.397 0.295 50 0 DCAARN CS(=O)(=O)N1C[C@H](NC(=O)c2ccc(N)nc2)[C@@H](C2CC2)C1 ZINC000091486846 395725514 /nfs/dbraw/zinc/72/55/14/395725514.db2.gz LCLFXJAQWLUJSA-NEPJUHHUSA-N 0 0 324.406 0.064 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)c2cc(Cl)ccn2)CC1 ZINC000037979673 395730089 /nfs/dbraw/zinc/73/00/89/395730089.db2.gz ZFZWUXOQFJYDBH-UHFFFAOYSA-N 0 0 317.798 0.889 50 0 DCAARN CN(CCNc1nccc(-c2ccccn2)n1)S(C)(=O)=O ZINC000096163245 395746859 /nfs/dbraw/zinc/74/68/59/395746859.db2.gz PERXLAXSKLMOCT-UHFFFAOYSA-N 0 0 307.379 0.842 50 0 DCAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc[nH]n1 ZINC000096190094 395748372 /nfs/dbraw/zinc/74/83/72/395748372.db2.gz YSWTXMGKYCYBAL-UHFFFAOYSA-N 0 0 321.362 0.842 50 0 DCAARN CC1CCC(=CC(=O)N2CC(n3cc(C(N)=O)nn3)C2)CC1 ZINC000095997866 395741193 /nfs/dbraw/zinc/74/11/93/395741193.db2.gz QJZRJBHBEDIHOP-UHFFFAOYSA-N 0 0 303.366 0.897 50 0 DCAARN CS(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1N(C(=O)Cc1ccsc1)C2 ZINC000096095785 395744244 /nfs/dbraw/zinc/74/42/44/395744244.db2.gz XVVDRAPSJWBUNY-GRYCIOLGSA-N 0 0 314.432 0.829 50 0 DCAARN O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(-n2cncn2)nn1 ZINC000096097850 395744374 /nfs/dbraw/zinc/74/43/74/395744374.db2.gz BTNDQTJVDRDYLY-UHFFFAOYSA-N 0 0 306.289 0.608 50 0 DCAARN Cn1nnnc1COc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000096101404 395744432 /nfs/dbraw/zinc/74/44/32/395744432.db2.gz GIJSOKZIFYVODL-UHFFFAOYSA-N 0 0 317.349 0.190 50 0 DCAARN CSc1ccc([C@H](O)CNC(=O)CN2C(=O)CCC2=O)cc1 ZINC000096103054 395744525 /nfs/dbraw/zinc/74/45/25/395744525.db2.gz GUYACTSBQCKQSU-GFCCVEGCSA-N 0 0 322.386 0.707 50 0 DCAARN COCC(=O)Nc1cccc(NC(=O)NC[C@@H](O)CO)c1C ZINC000096136088 395745631 /nfs/dbraw/zinc/74/56/31/395745631.db2.gz KWZAOFGZSOAMSM-SNVBAGLBSA-N 0 0 311.338 0.055 50 0 DCAARN CC(C)C[C@H](NC(=O)c1cnn(C)c1)C(=O)Nc1cc[nH]n1 ZINC000096446436 395753403 /nfs/dbraw/zinc/75/34/03/395753403.db2.gz OJAAYIUTOKOWMB-NSHDSACASA-N 0 0 304.354 0.926 50 0 DCAARN CCc1ncnc(N2CCN(Cc3nnc(C)[nH]3)CC2)c1F ZINC000096492127 395754138 /nfs/dbraw/zinc/75/41/38/395754138.db2.gz XUVOCDNLFVPKRN-UHFFFAOYSA-N 0 0 305.361 0.927 50 0 DCAARN CNC(=O)[C@@H]1CN(Cc2nc(-c3ccccc3)no2)CCO1 ZINC000097082033 395755252 /nfs/dbraw/zinc/75/52/52/395755252.db2.gz BDYBPNIJTSNNJB-LBPRGKRZSA-N 0 0 302.334 0.683 50 0 DCAARN Cn1c(=O)cc(CN2CCO[C@H](c3nccs3)C2)n(C)c1=O ZINC000097199803 395755567 /nfs/dbraw/zinc/75/55/67/395755567.db2.gz QAUXCXOROKCIFA-NSHDSACASA-N 0 0 322.390 0.114 50 0 DCAARN CC1(C)NC(=O)N(CCN2CCO[C@@H](c3nccs3)C2)C1=O ZINC000097199880 395755636 /nfs/dbraw/zinc/75/56/36/395755636.db2.gz HPKKGZJVCZNQIZ-SNVBAGLBSA-N 0 0 324.406 0.847 50 0 DCAARN CS(=O)(=O)c1ccc([C@H](O)CN2CCn3ccnc3C2)cc1 ZINC000097201580 395756008 /nfs/dbraw/zinc/75/60/08/395756008.db2.gz OCKKPENVVORTFA-CQSZACIVSA-N 0 0 321.402 0.836 50 0 DCAARN Cc1cc(CNC(=O)c2cc(S(N)(=O)=O)ccc2C)n(C)n1 ZINC000097294961 395757025 /nfs/dbraw/zinc/75/70/25/395757025.db2.gz GRFIYQNIFYDHJU-UHFFFAOYSA-N 0 0 322.390 0.614 50 0 DCAARN O[C@H]1CN(c2cnccn2)CCN(c2ncnc3[nH]ccc32)C1 ZINC000097402333 395757640 /nfs/dbraw/zinc/75/76/40/395757640.db2.gz DRSZYPTXBDSWBR-NSHDSACASA-N 0 0 311.349 0.435 50 0 DCAARN CCOc1cccc(CS(=O)(=O)c2ncc(CO)n2C)n1 ZINC000097371580 395757765 /nfs/dbraw/zinc/75/77/65/395757765.db2.gz QMSUHHGHRUORCG-UHFFFAOYSA-N 0 0 311.363 0.680 50 0 DCAARN O=C(NCCc1nnc2ccccn21)c1ccn2nnnc2c1 ZINC000096223470 395750505 /nfs/dbraw/zinc/75/05/05/395750505.db2.gz UZLOBAIDWWLOSX-UHFFFAOYSA-N 0 0 308.305 0.140 50 0 DCAARN O=C(N[C@H]1C=CS(=O)(=O)C1)c1ccc(-n2ccnc2)cc1 ZINC000097463614 395758134 /nfs/dbraw/zinc/75/81/34/395758134.db2.gz WXZRIBWAXQJKBP-LBPRGKRZSA-N 0 0 303.343 0.913 50 0 DCAARN NC(=O)c1cnc(N2CCN(c3cnccn3)CC2)c(Cl)c1 ZINC000047087894 395787319 /nfs/dbraw/zinc/78/73/19/395787319.db2.gz CLDTVAIPDHCRBS-UHFFFAOYSA-N 0 0 318.768 0.951 50 0 DCAARN CNC(=O)[C@@H]1CC[N@H+](Cc2c(OC)cc(OC)cc2C(=O)[O-])C1 ZINC000097619620 395759034 /nfs/dbraw/zinc/75/90/34/395759034.db2.gz DLFQKTGJEDREDI-SNVBAGLBSA-N 0 0 322.361 0.970 50 0 DCAARN COc1cc(CN2CCO[C@@H](C(N)=O)C2)cc(OC)c1OC ZINC000097815244 395760700 /nfs/dbraw/zinc/76/07/00/395760700.db2.gz NEBWVVFXNMWJAR-CYBMUJFWSA-N 0 0 310.350 0.399 50 0 DCAARN Cn1cc(/C=C\C(=O)NCCNS(C)(=O)=O)c2ccccc21 ZINC000098013866 395761415 /nfs/dbraw/zinc/76/14/15/395761415.db2.gz OXMKERXDQVGBMS-FPLPWBNLSA-N 0 0 321.402 0.857 50 0 DCAARN CC(C)N1c2ccccc2[C@H](NC(=O)C(=O)NCCCO)C1=O ZINC000101444381 395764781 /nfs/dbraw/zinc/76/47/81/395764781.db2.gz ZACZATKYKJMGKT-ZDUSSCGKSA-N 0 0 319.361 0.098 50 0 DCAARN Cc1cc(S(=O)(=O)N(C)CC(N)=O)ccc1OC(C)C ZINC000045744596 395765656 /nfs/dbraw/zinc/76/56/56/395765656.db2.gz TVHSZHFIVSDMFA-UHFFFAOYSA-N 0 0 300.380 0.888 50 0 DCAARN C[C@H]1COCCN1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000045845315 395767238 /nfs/dbraw/zinc/76/72/38/395767238.db2.gz ABZQZJQNNCURJN-ZDUSSCGKSA-N 0 0 320.393 0.849 50 0 DCAARN C[C@H](C(=O)N1CCN(Cc2cccnc2)CC1)n1cncn1 ZINC000045888867 395768136 /nfs/dbraw/zinc/76/81/36/395768136.db2.gz FOMRVXCWRIWZGJ-CYBMUJFWSA-N 0 0 300.366 0.579 50 0 DCAARN Cc1csc(CCCNC(=O)[C@H]2CCS(=O)(=O)C2)n1 ZINC000102304342 395769493 /nfs/dbraw/zinc/76/94/93/395769493.db2.gz RAUMIVKNUPLQBQ-JTQLQIEISA-N 0 0 302.421 0.935 50 0 DCAARN CN1C[C@H](C(=O)N2CCN(Cc3ccccn3)CC2)CC1=O ZINC000046176225 395771977 /nfs/dbraw/zinc/77/19/77/395771977.db2.gz GSVBBPGGYWZJLQ-CYBMUJFWSA-N 0 0 302.378 0.204 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000048313592 395813315 /nfs/dbraw/zinc/81/33/15/395813315.db2.gz GVOKITPAHBEVKO-YPMHNXCESA-N 0 0 324.402 0.724 50 0 DCAARN O=C(NCCc1nnc2n1CCCCC2)c1ccc(=O)[nH]c1 ZINC000048308858 395813363 /nfs/dbraw/zinc/81/33/63/395813363.db2.gz KWAUCMAMLJXVRV-UHFFFAOYSA-N 0 0 301.350 0.665 50 0 DCAARN COc1cncc(O[C@@H]2CCN(C(=O)c3snnc3C)C2)n1 ZINC000225393836 395859123 /nfs/dbraw/zinc/85/91/23/395859123.db2.gz GZTDAGUQTDYNBD-SECBINFHSA-N 0 0 321.362 0.939 50 0 DCAARN CN(C)c1cncc(O[C@@H]2CCN(S(=O)(=O)C3CC3)C2)n1 ZINC000225407967 395859683 /nfs/dbraw/zinc/85/96/83/395859683.db2.gz GRZWFVFYDQLABF-SNVBAGLBSA-N 0 0 312.395 0.488 50 0 DCAARN Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(C1CCOCC1)C2 ZINC000219280351 395844749 /nfs/dbraw/zinc/84/47/49/395844749.db2.gz BIHHLTRHRJKXFG-HNNXBMFYSA-N 0 0 317.393 0.693 50 0 DCAARN COC[C@@H]1[C@H](NC(=O)CCn2c(C)cccc2=O)[C@@H]2CCO[C@H]12 ZINC000219990004 395847111 /nfs/dbraw/zinc/84/71/11/395847111.db2.gz FTIOFQDVIGNZNO-IXKJSCDLSA-N 0 0 320.389 0.713 50 0 DCAARN COCc1nc(CNC(=O)Cc2ccc3c(c2)OCO3)no1 ZINC000220135040 395847796 /nfs/dbraw/zinc/84/77/96/395847796.db2.gz OYCJYWQDZWXJIQ-UHFFFAOYSA-N 0 0 305.290 0.804 50 0 DCAARN CN(C)C(=O)c1ccc(CNC(=O)CN2CCC[C@@H](O)C2)cc1 ZINC000051204320 395848221 /nfs/dbraw/zinc/84/82/21/395848221.db2.gz UQJUNHGVWHHOPB-OAHLLOKOSA-N 0 0 319.405 0.461 50 0 DCAARN CC(C)(C)n1cc(C(=O)NC2CCN(CC(N)=O)CC2)cn1 ZINC000051227182 395848263 /nfs/dbraw/zinc/84/82/63/395848263.db2.gz WRHNHYBMOMCCQE-UHFFFAOYSA-N 0 0 307.398 0.318 50 0 DCAARN Cc1cc(C[C@@H](C)NC(=O)Cc2c(C)nc(C)[nH]c2=O)[nH]n1 ZINC000220610218 395849385 /nfs/dbraw/zinc/84/93/85/395849385.db2.gz GXHQUVDUJZNGOB-MRVPVSSYSA-N 0 0 303.366 0.708 50 0 DCAARN Cn1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c(=O)[nH]c1=O ZINC000221222331 395850107 /nfs/dbraw/zinc/85/01/07/395850107.db2.gz NEDSRDKTXBFTFD-CYBMUJFWSA-N 0 0 315.329 0.287 50 0 DCAARN Cc1ccnc(C[C@H](C)N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)c1 ZINC000221255092 395850509 /nfs/dbraw/zinc/85/05/09/395850509.db2.gz OHTWTZXRYKTBRF-NSHDSACASA-N 0 0 316.361 0.480 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)N1CCn2nc(CO)cc2C1 ZINC000221437970 395850940 /nfs/dbraw/zinc/85/09/40/395850940.db2.gz WRLQVDPXURKTPQ-UHFFFAOYSA-N 0 0 317.393 0.701 50 0 DCAARN O=C(Cc1c[nH]cn1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 ZINC000222255164 395852025 /nfs/dbraw/zinc/85/20/25/395852025.db2.gz CSGSBJOXAGDUHB-CHWSQXEVSA-N 0 0 302.334 0.700 50 0 DCAARN O=C(CN1CCOC1=O)N1CCC(O)(c2cccnc2)CC1 ZINC000222516255 395852628 /nfs/dbraw/zinc/85/26/28/395852628.db2.gz TXHAUPCEILRACO-UHFFFAOYSA-N 0 0 305.334 0.344 50 0 DCAARN CCc1nnc(CNC(=O)Cc2c(C)nc(CC)[nH]c2=O)s1 ZINC000222840356 395853460 /nfs/dbraw/zinc/85/34/60/395853460.db2.gz ZOGFVHYPDJWGQF-UHFFFAOYSA-N 0 0 321.406 0.914 50 0 DCAARN O=C(N[C@H]1CCCN(c2ncccn2)C1)C(=O)N1CCCC1 ZINC000223679302 395856053 /nfs/dbraw/zinc/85/60/53/395856053.db2.gz XUBSCDCMPIVUBW-LBPRGKRZSA-N 0 0 303.366 0.184 50 0 DCAARN CO[C@@H]1COCC[C@H]1NS(=O)(=O)N(C)Cc1ccccc1 ZINC000223779048 395856802 /nfs/dbraw/zinc/85/68/02/395856802.db2.gz FVXLGWLIZIEOPU-ZIAGYGMSSA-N 0 0 314.407 0.757 50 0 DCAARN Cc1cnc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cn1 ZINC000047647682 395798599 /nfs/dbraw/zinc/79/85/99/395798599.db2.gz JPXVAQYSMHPTHK-ZDUSSCGKSA-N 0 0 304.350 0.248 50 0 DCAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CCC(=O)NC1 ZINC000047700563 395800762 /nfs/dbraw/zinc/80/07/62/395800762.db2.gz FWNDHLFVFIAAOK-NWDGAFQWSA-N 0 0 304.346 0.811 50 0 DCAARN CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCO[C@H](C)C2)c1 ZINC000054276928 395896889 /nfs/dbraw/zinc/89/68/89/395896889.db2.gz YTHXPKDGYDDZKW-LLVKDONJSA-N 0 0 312.391 0.764 50 0 DCAARN CC(C)[C@@H](C)n1nccc1NC(=O)CCNS(C)(=O)=O ZINC000055119425 395911177 /nfs/dbraw/zinc/91/11/77/395911177.db2.gz UIZVBKVCKKOCEO-SNVBAGLBSA-N 0 0 302.400 0.978 50 0 DCAARN CS(=O)(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000055292390 395916175 /nfs/dbraw/zinc/91/61/75/395916175.db2.gz GMSHNOYXDDVHST-UHFFFAOYSA-N 0 0 313.427 0.082 50 0 DCAARN CCNC(=O)[C@@H]1CCN(C(=O)CSc2nnc(N)s2)C1 ZINC000055309368 395916837 /nfs/dbraw/zinc/91/68/37/395916837.db2.gz FNCPPQSDJAVTHV-SSDOTTSWSA-N 0 0 315.424 0.197 50 0 DCAARN CC(C)N1CCNC(=O)[C@@H]1CC(=O)NCCOc1ccccc1 ZINC000055384789 395918124 /nfs/dbraw/zinc/91/81/24/395918124.db2.gz TUEBGZUOZXOUKU-HNNXBMFYSA-N 0 0 319.405 0.781 50 0 DCAARN COCCN(Cc1cnn(C)c1)C(=O)[C@H](CC(C)C)NC(C)=O ZINC000055413620 395918927 /nfs/dbraw/zinc/91/89/27/395918927.db2.gz KMMMAAJIXOJIPR-HNNXBMFYSA-N 0 0 324.425 0.946 50 0 DCAARN Cc1nn(CCCNC(=O)CCn2nnnc2C)c(C)c1C ZINC000244816845 395925323 /nfs/dbraw/zinc/92/53/23/395925323.db2.gz SPOGAPAJMPDTBA-UHFFFAOYSA-N 0 0 305.386 0.700 50 0 DCAARN Cn1cc([C@@H](NC(=O)c2csnc2N)[C@H]2C[C@@H](O)C2)cn1 ZINC000244884122 395926347 /nfs/dbraw/zinc/92/63/47/395926347.db2.gz YFRUXGWMITUUBR-NMLBEHRDSA-N 0 0 307.379 0.701 50 0 DCAARN Cn1cc(C(=O)NC[C@H](c2ccoc2)N2CCSCC2)nn1 ZINC000245174486 395926755 /nfs/dbraw/zinc/92/67/55/395926755.db2.gz YORMZWLEULIWQE-CYBMUJFWSA-N 0 0 321.406 0.928 50 0 DCAARN Cn1nnnc1SCCNc1cc([C@H]2C[C@@H](O)C2)ncn1 ZINC000244899941 395926785 /nfs/dbraw/zinc/92/67/85/395926785.db2.gz ZTHXAINTWHQFNX-DTORHVGOSA-N 0 0 307.383 0.443 50 0 DCAARN Cc1noc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)n1 ZINC000225527570 395861546 /nfs/dbraw/zinc/86/15/46/395861546.db2.gz JZEHHCYMRDCEJK-UHFFFAOYSA-N 0 0 314.301 0.333 50 0 DCAARN COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1 ZINC000225718910 395863084 /nfs/dbraw/zinc/86/30/84/395863084.db2.gz ZVXRNCWICUKMAB-UHFFFAOYSA-N 0 0 316.357 0.436 50 0 DCAARN CC[N@@H+]1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O ZINC000226902218 395866988 /nfs/dbraw/zinc/86/69/88/395866988.db2.gz VFTQFIAOSCQNOF-WWRHJZOGSA-N 0 0 306.362 0.337 50 0 DCAARN C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCN(CCO)CC1 ZINC000052876741 395872812 /nfs/dbraw/zinc/87/28/12/395872812.db2.gz VOHCSGSKYPRKID-HNNXBMFYSA-N 0 0 317.433 0.570 50 0 DCAARN O[C@@H](CN1CCO[C@@H](Cn2cncn2)C1)c1ccc(F)c(F)c1 ZINC000229499237 395874635 /nfs/dbraw/zinc/87/46/35/395874635.db2.gz HIGJVYURWLLGRM-DOMZBBRYSA-N 0 0 324.331 0.991 50 0 DCAARN Cn1cc(N2CCC[C@@H](NC(=O)NC[C@@H](O)C3CC3)C2)cn1 ZINC000230162516 395878915 /nfs/dbraw/zinc/87/89/15/395878915.db2.gz WIQQHEJRRDWTCN-TZMCWYRMSA-N 0 0 307.398 0.459 50 0 DCAARN COc1ccc2nnc(CCCC(=O)N[C@@H](CO)C(C)C)n2n1 ZINC000230211703 395879617 /nfs/dbraw/zinc/87/96/17/395879617.db2.gz JAVNBCMOAZLCSU-NSHDSACASA-N 0 0 321.381 0.589 50 0 DCAARN COc1ccc2c(c1)OC[C@H](NC(=O)NCC(F)(F)CO)C2 ZINC000274553812 395958150 /nfs/dbraw/zinc/95/81/50/395958150.db2.gz VGXYQPUTAAIXOR-SNVBAGLBSA-N 0 0 316.304 0.926 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@H]2c2cnn(C)c2)CC1 ZINC000248159621 395983382 /nfs/dbraw/zinc/98/33/82/395983382.db2.gz WXYOXQLAKIVAIE-KKUMJFAQSA-N 0 0 306.410 0.439 50 0 DCAARN COCc1cc(=O)n(CC(=O)Nc2cccc(OC)c2)c(N)n1 ZINC000065310956 395992383 /nfs/dbraw/zinc/99/23/83/395992383.db2.gz UYAFWUNZXWWYEC-UHFFFAOYSA-N 0 0 318.333 0.619 50 0 DCAARN Cc1ccc([C@H](C(=O)N2CCS(=O)(=O)CC2)N(C)C)cc1 ZINC000065384078 395992846 /nfs/dbraw/zinc/99/28/46/395992846.db2.gz WBMHQLUGMVBXLF-CQSZACIVSA-N 0 0 310.419 0.855 50 0 DCAARN CSCC[C@@H](CO)NC(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000252508025 396022325 /nfs/dbraw/zinc/02/23/25/396022325.db2.gz XAPDIKUTUXHZRC-STQMWFEESA-N 0 0 324.450 0.923 50 0 DCAARN O=C(N[C@@H]1CN(c2ncccn2)C[C@H]1CO)c1ccc(F)cc1 ZINC000253398113 396026948 /nfs/dbraw/zinc/02/69/48/396026948.db2.gz BXFXDPIJMXLQHU-GXTWGEPZSA-N 0 0 316.336 0.843 50 0 DCAARN CN(CCNC(=O)c1cn(C)c2ccccc12)S(C)(=O)=O ZINC000067514331 396027647 /nfs/dbraw/zinc/02/76/47/396027647.db2.gz XLIZKOXQBPSCAN-UHFFFAOYSA-N 0 0 309.391 0.800 50 0 DCAARN O=C(N[C@@H]1CN(c2ncccn2)C[C@H]1CO)c1ccccc1F ZINC000253413780 396027804 /nfs/dbraw/zinc/02/78/04/396027804.db2.gz VQKIALVGHFBUGR-SMDDNHRTSA-N 0 0 316.336 0.843 50 0 DCAARN CCn1nccc1C(=O)N1CC[C@@H]2CN(S(C)(=O)=O)[C@@H]2C1 ZINC000253413628 396028099 /nfs/dbraw/zinc/02/80/99/396028099.db2.gz VGKQUCSGSBEFOK-ZYHUDNBSSA-N 0 0 312.395 0.009 50 0 DCAARN Cn1c(=O)[nH]c(=O)c2nc(C[C@H](O)c3cccs3)c(=O)[nH]c21 ZINC000253536260 396029398 /nfs/dbraw/zinc/02/93/98/396029398.db2.gz NZOYLEJLGFXCQM-ZETCQYMHSA-N 0 0 320.330 0.472 50 0 DCAARN O=C(CCn1cnnn1)N1CCCN(Cc2ccncc2)CC1 ZINC000067757178 396033200 /nfs/dbraw/zinc/03/32/00/396033200.db2.gz XKHFVFIJKSTVBJ-UHFFFAOYSA-N 0 0 315.381 0.193 50 0 DCAARN CC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(=O)c(Cl)c2)C1 ZINC000067773590 396033443 /nfs/dbraw/zinc/03/34/43/396033443.db2.gz QICPGNYPPZKBRC-JTQLQIEISA-N 0 0 313.741 0.005 50 0 DCAARN Cn1nc(N2CC[C@H](NC(=O)Cc3ccncc3)C2)ccc1=O ZINC000257185931 396034254 /nfs/dbraw/zinc/03/42/54/396034254.db2.gz JYYBXQUVSCFRAM-ZDUSSCGKSA-N 0 0 313.361 0.113 50 0 DCAARN O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cnco1 ZINC000257192806 396035184 /nfs/dbraw/zinc/03/51/84/396035184.db2.gz QYTZSBBPQJQOKY-UONOGXRCSA-N 0 0 301.346 0.897 50 0 DCAARN Cn1nc2n(c1=O)C[C@H](C(=O)Nc1cnc3n1CCCC3)CC2 ZINC000067854776 396036282 /nfs/dbraw/zinc/03/62/82/396036282.db2.gz PTHUXWCORRKRRP-SNVBAGLBSA-N 0 0 316.365 0.316 50 0 DCAARN CCc1nc([C@@H]2CCCN(C(=O)CN3CCCNC3=O)C2)no1 ZINC000067940441 396039509 /nfs/dbraw/zinc/03/95/09/396039509.db2.gz PFHSPVAGKSWKJM-LLVKDONJSA-N 0 0 321.381 0.753 50 0 DCAARN CCc1cnc(CN(C(C)=O)[C@H]2CCN([C@H]3CCOC3=O)C2)o1 ZINC000257365949 396046563 /nfs/dbraw/zinc/04/65/63/396046563.db2.gz CXWGGNKRUDIKNM-JSGCOSHPSA-N 0 0 321.377 0.975 50 0 DCAARN CCc1noc(CN2CCC[C@H]([C@]3(C)NC(=O)N(C)C3=O)C2)n1 ZINC000257365963 396046641 /nfs/dbraw/zinc/04/66/41/396046641.db2.gz DKSFSXHWJAYWIM-BONVTDFDSA-N 0 0 321.381 0.784 50 0 DCAARN CNC(=O)c1[nH]nc2c1CN(Cc1nc(C(C)C)no1)CC2 ZINC000252491501 396020754 /nfs/dbraw/zinc/02/07/54/396020754.db2.gz LNOVOSQUEILJKV-UHFFFAOYSA-N 0 0 304.354 0.834 50 0 DCAARN CCOC(=O)c1cn(C[C@@H](O)c2ccccc2)c(C(N)=O)n1 ZINC000252500700 396021674 /nfs/dbraw/zinc/02/16/74/396021674.db2.gz TUIKPWYMISKOMN-GFCCVEGCSA-N 0 0 303.318 0.892 50 0 DCAARN Cc1noc([C@H](C)N2CCN(C[C@@H](O)Cn3cccn3)CC2)n1 ZINC000069697297 396086760 /nfs/dbraw/zinc/08/67/60/396086760.db2.gz VZCLZHRWAZZPIE-GXTWGEPZSA-N 0 0 320.397 0.314 50 0 DCAARN O=C(Cn1ccc(-c2ccccc2)n1)N[C@H]1CCS(=O)(=O)C1 ZINC000069704895 396087974 /nfs/dbraw/zinc/08/79/74/396087974.db2.gz BGBJHIVLSNNAKJ-ZDUSSCGKSA-N 0 0 319.386 0.853 50 0 DCAARN Cc1noc(CCNC(=O)NCCNC(=O)C2CCCCC2)n1 ZINC000069738742 396088698 /nfs/dbraw/zinc/08/86/98/396088698.db2.gz JZEAASZBKXEBEE-UHFFFAOYSA-N 0 0 323.397 0.916 50 0 DCAARN O=C1N[C@@H](c2cnc(N3CCOCC3)nc2)Nc2ncccc21 ZINC000069740884 396088857 /nfs/dbraw/zinc/08/88/57/396088857.db2.gz OVLYDCWVKFXXHO-LBPRGKRZSA-N 0 0 312.333 0.562 50 0 DCAARN CCn1c(SC[C@@H]2CCOCO2)nnc1N1CCOCC1 ZINC000069770581 396089232 /nfs/dbraw/zinc/08/92/32/396089232.db2.gz LEXPGUJHKRTXGJ-NSHDSACASA-N 0 0 314.411 0.990 50 0 DCAARN Cc1cc(NC(=O)CCN2CCO[C@H](Cn3cncn3)C2)no1 ZINC000069810834 396091119 /nfs/dbraw/zinc/09/11/19/396091119.db2.gz JQMAEWPNKQAHRR-LBPRGKRZSA-N 0 0 320.353 0.304 50 0 DCAARN CCNC(=O)N1CC[C@@H](Oc2ncccc2C(=O)N(C)C)C1 ZINC000169756095 396091128 /nfs/dbraw/zinc/09/11/28/396091128.db2.gz OPVJTAFOFPKFEU-LLVKDONJSA-N 0 0 306.366 0.966 50 0 DCAARN COc1ccc(CNC(=O)c2nnn3cc(C)[nH]c(=O)c23)cc1 ZINC000169770731 396091172 /nfs/dbraw/zinc/09/11/72/396091172.db2.gz CFXWKHPNAMIWRG-UHFFFAOYSA-N 0 0 313.317 0.665 50 0 DCAARN Cn1nc2n(c1=O)CCN(C(=O)c1ccc(F)cc1F)CC2 ZINC000169783650 396091896 /nfs/dbraw/zinc/09/18/96/396091896.db2.gz WEKWRYZLKRJFNG-UHFFFAOYSA-N 0 0 308.288 0.559 50 0 DCAARN CNC(=O)N1CCC([C@H]2CCN(C(=O)c3cnccn3)C2)CC1 ZINC000169781596 396092079 /nfs/dbraw/zinc/09/20/79/396092079.db2.gz AEWITXKIYKWEJO-ZDUSSCGKSA-N 0 0 317.393 0.990 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1ncnc(N)c1Cl ZINC000277893244 396092843 /nfs/dbraw/zinc/09/28/43/396092843.db2.gz TUVWVWXHSHMOOJ-HTQZYQBOSA-N 0 0 319.818 0.842 50 0 DCAARN CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1ncnc(N)c1Cl ZINC000277893255 396092984 /nfs/dbraw/zinc/09/29/84/396092984.db2.gz TUVWVWXHSHMOOJ-SFYZADRCSA-N 0 0 319.818 0.842 50 0 DCAARN CCCNC(=O)N[C@H]1CCc2nn(CC3CC3)c(=O)n2CC1 ZINC000169790515 396093470 /nfs/dbraw/zinc/09/34/70/396093470.db2.gz RAJGETCOIKCCAZ-LBPRGKRZSA-N 0 0 307.398 0.869 50 0 DCAARN CC(C)NC(=O)[C@H]1CCC(=O)N1C1CCN(C(=O)C2CC2)CC1 ZINC000169791933 396093617 /nfs/dbraw/zinc/09/36/17/396093617.db2.gz OVNDOCATYMTASG-CQSZACIVSA-N 0 0 321.421 0.903 50 0 DCAARN C[C@H](C(=O)N1CCCN(c2cccnn2)CC1)n1cccn1 ZINC000069877314 396093900 /nfs/dbraw/zinc/09/39/00/396093900.db2.gz VFOXUAYFMPDYFN-CYBMUJFWSA-N 0 0 300.366 0.973 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)N1CCNC(=O)[C@H]1C(C)C ZINC000069918129 396094627 /nfs/dbraw/zinc/09/46/27/396094627.db2.gz MNKFUBDLHMBYRW-OAHLLOKOSA-N 0 0 306.410 0.953 50 0 DCAARN CCc1nc2n(n1)C[C@@H](NCc1nnnn1-c1ccccc1)CC2 ZINC000069899681 396094839 /nfs/dbraw/zinc/09/48/39/396094839.db2.gz ADHKFFOFGOHVAI-LBPRGKRZSA-N 0 0 324.392 0.921 50 0 DCAARN COC(=O)C1(CNC(=O)c2cnc3c(C)cccn3c2=O)CC1 ZINC000170600862 396095077 /nfs/dbraw/zinc/09/50/77/396095077.db2.gz GDPGZOOLZOPFFV-UHFFFAOYSA-N 0 0 315.329 0.686 50 0 DCAARN COCCOc1cccc(C(=O)N2CCN(C[C@H](C)O)CC2)c1 ZINC000069947243 396095332 /nfs/dbraw/zinc/09/53/32/396095332.db2.gz ZGDXZPGJVACSDC-AWEZNQCLSA-N 0 0 322.405 0.850 50 0 DCAARN C[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H]2CCCC[C@H]12 ZINC000069926990 396095698 /nfs/dbraw/zinc/09/56/98/396095698.db2.gz AXWTVVDLZAPLKR-IJLUTSLNSA-N 0 0 321.377 0.834 50 0 DCAARN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCNC(=O)C1 ZINC000069948010 396095752 /nfs/dbraw/zinc/09/57/52/396095752.db2.gz ZSMQSMCNCRDNCT-NSHDSACASA-N 0 0 311.382 0.734 50 0 DCAARN COc1ccccc1N1CC[C@H](CNC(=O)C(=O)NC2CC2)C1 ZINC000069950862 396096249 /nfs/dbraw/zinc/09/62/49/396096249.db2.gz FIUREIQAOIAXSZ-GFCCVEGCSA-N 0 0 317.389 0.916 50 0 DCAARN CC[C@H](C)C(=O)NCC(=O)OCCn1nc2ccccn2c1=O ZINC000170652966 396096735 /nfs/dbraw/zinc/09/67/35/396096735.db2.gz ZGIBNPIVTWRSPB-NSHDSACASA-N 0 0 320.349 0.202 50 0 DCAARN O=C(CN1CCO[C@@H](Cn2cncn2)C1)NCc1cccs1 ZINC000070006220 396097349 /nfs/dbraw/zinc/09/73/49/396097349.db2.gz KEKMIKDCTLMDAC-GFCCVEGCSA-N 0 0 321.406 0.357 50 0 DCAARN CCOc1ccc(S(=O)(=O)NC[C@](C)(O)COC)cc1F ZINC000070655707 396102506 /nfs/dbraw/zinc/10/25/06/396102506.db2.gz GXGWYGKAINRQNZ-ZDUSSCGKSA-N 0 0 321.370 0.900 50 0 DCAARN Cc1cc(C(=O)N2CCN(C)CC2)nc(N2CCOCC2)n1 ZINC000071195514 396111046 /nfs/dbraw/zinc/11/10/46/396111046.db2.gz WLOFFKJMAGSCKQ-UHFFFAOYSA-N 0 0 305.382 0.009 50 0 DCAARN COc1ccc(-n2ccc3c(nnc4ncnn43)c2=O)c(OC)c1 ZINC000071375621 396113635 /nfs/dbraw/zinc/11/36/35/396113635.db2.gz IKRZBQRSHNEMDS-UHFFFAOYSA-N 0 0 324.300 0.841 50 0 DCAARN CCC[C@H](NC(C)=O)C(=O)N1CCc2c(nc(C)[nH]c2=O)C1 ZINC000071388755 396113866 /nfs/dbraw/zinc/11/38/66/396113866.db2.gz OIORELAFSFVCMG-LBPRGKRZSA-N 0 0 306.366 0.268 50 0 DCAARN O=C([C@@H]1CNCC(=O)N1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000071774663 396114180 /nfs/dbraw/zinc/11/41/80/396114180.db2.gz CCZYZLUEDDBXJJ-AWEZNQCLSA-N 0 0 303.337 0.529 50 0 DCAARN C[C@H](C(N)=O)N1CCN(C(=O)CN2CCc3ccccc32)CC1 ZINC000071821804 396117296 /nfs/dbraw/zinc/11/72/96/396117296.db2.gz URIIJWROSNPJOE-CYBMUJFWSA-N 0 0 316.405 0.067 50 0 DCAARN O=C(CN1CCCN(c2nccs2)CC1)N1CCNC1=O ZINC000071830503 396117829 /nfs/dbraw/zinc/11/78/29/396117829.db2.gz CHUACJUDUPHRCA-UHFFFAOYSA-N 0 0 309.395 0.207 50 0 DCAARN C[C@]1(c2ccccc2F)NC(=O)N(CCS(C)(=O)=O)C1=O ZINC000071839112 396117909 /nfs/dbraw/zinc/11/79/09/396117909.db2.gz YHKPICLIGRGYFI-CYBMUJFWSA-N 0 0 314.338 0.637 50 0 DCAARN COCc1nc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cs1 ZINC000071830981 396118069 /nfs/dbraw/zinc/11/80/69/396118069.db2.gz MVHMSXKFCFOYGW-UHFFFAOYSA-N 0 0 324.362 0.104 50 0 DCAARN CNc1cc2c(nn1)CCN(C(=O)Cc1c(C)nn(C)c1C)C2 ZINC000071860143 396119820 /nfs/dbraw/zinc/11/98/20/396119820.db2.gz XNLQYDQCGHBNCD-UHFFFAOYSA-N 0 0 314.393 0.996 50 0 DCAARN Nc1nc(Cl)cc(N2CCC(CS(N)(=O)=O)CC2)n1 ZINC000071899626 396124470 /nfs/dbraw/zinc/12/44/70/396124470.db2.gz OHPZUBDMLSGDRL-UHFFFAOYSA-N 0 0 305.791 0.217 50 0 DCAARN CCOC(=O)N1CCN(C(=O)Nc2cccn(C)c2=O)CC1 ZINC000071920115 396125332 /nfs/dbraw/zinc/12/53/32/396125332.db2.gz RFTYXLAHGXQZFJ-UHFFFAOYSA-N 0 0 308.338 0.691 50 0 DCAARN CN(CC(F)(F)F)C(=O)CN1CCN(C[C@H]2CCCO2)CC1 ZINC000071915607 396125470 /nfs/dbraw/zinc/12/54/70/396125470.db2.gz NHCSVCSTBDADCI-GFCCVEGCSA-N 0 0 323.359 0.804 50 0 DCAARN C[C@H](c1c(F)cccc1F)N1CCN(S(N)(=O)=O)CC1 ZINC000071968824 396126089 /nfs/dbraw/zinc/12/60/89/396126089.db2.gz JVOILLKDWVQQIG-SECBINFHSA-N 0 0 305.350 0.847 50 0 DCAARN C[C@@H](Oc1ccc(N(C)C(N)=O)cc1)C(=O)N1CCOCC1 ZINC000072268104 396127925 /nfs/dbraw/zinc/12/79/25/396127925.db2.gz OBOZOMWKBYWVHX-LLVKDONJSA-N 0 0 307.350 0.828 50 0 DCAARN CCN1N=C(C(=O)N2CCC[C@H](n3cncn3)C2)CCC1=O ZINC000072271468 396129048 /nfs/dbraw/zinc/12/90/48/396129048.db2.gz WOAFDOKKNHTQDV-NSHDSACASA-N 0 0 304.354 0.440 50 0 DCAARN CCCc1nc(CN2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)no1 ZINC000072300773 396130517 /nfs/dbraw/zinc/13/05/17/396130517.db2.gz MNNRTRZWZZYFDQ-MEBBXXQBSA-N 0 0 321.381 0.832 50 0 DCAARN CCCCn1nnnc1CN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000072300116 396130682 /nfs/dbraw/zinc/13/06/82/396130682.db2.gz DYUGCBSWUQNUIV-LLVKDONJSA-N 0 0 306.374 0.473 50 0 DCAARN O=C1CNC(=O)N1CCN1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000072299886 396130700 /nfs/dbraw/zinc/13/07/00/396130700.db2.gz YYXHPDOSYDEUHP-LLVKDONJSA-N 0 0 319.365 0.678 50 0 DCAARN CN(Cc1nc[nH]n1)C(=O)c1ccccc1N1CCOCC1 ZINC000172620389 396132945 /nfs/dbraw/zinc/13/29/45/396132945.db2.gz DUGGJDYYLPPOFY-UHFFFAOYSA-N 0 0 301.350 0.914 50 0 DCAARN NC(=O)[C@@H](c1ccc(F)cc1)N1CCC(N2CCNC2=O)CC1 ZINC000069349916 396075722 /nfs/dbraw/zinc/07/57/22/396075722.db2.gz HCTBPNDHQACWBZ-CQSZACIVSA-N 0 0 320.368 0.842 50 0 DCAARN CN(C)C(=O)CCNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000069348962 396075855 /nfs/dbraw/zinc/07/58/55/396075855.db2.gz ADDTZROQDOJEOC-SNVBAGLBSA-N 0 0 315.439 0.529 50 0 DCAARN CC[C@@H](C(N)=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000069349709 396076087 /nfs/dbraw/zinc/07/60/87/396076087.db2.gz PCQVQHSQEYCIGO-KBPBESRZSA-N 0 0 310.442 0.269 50 0 DCAARN Cc1cc(=O)nc2sc(N3CCN(C(=O)C4CC4)CC3)nn21 ZINC000069370695 396076136 /nfs/dbraw/zinc/07/61/36/396076136.db2.gz SVMAQZYLIYQIMJ-UHFFFAOYSA-N 0 0 319.390 0.518 50 0 DCAARN CS(=O)(=O)NCCNC(=O)c1c[nH]nc1C1CCCCC1 ZINC000069374566 396076786 /nfs/dbraw/zinc/07/67/86/396076786.db2.gz ZPVLDBOPDUAQDJ-UHFFFAOYSA-N 0 0 314.411 0.736 50 0 DCAARN CN(Cc1ccco1)C(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000069392602 396077074 /nfs/dbraw/zinc/07/70/74/396077074.db2.gz OZDQHPNMUYIDCO-OAHLLOKOSA-N 0 0 318.377 0.836 50 0 DCAARN C[C@@H](C(=O)N1CCCC1)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000069442732 396078576 /nfs/dbraw/zinc/07/85/76/396078576.db2.gz HDQCIPSKGDISKP-RYUDHWBXSA-N 0 0 303.428 0.011 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCO[C@H](Cn3cccn3)C2)no1 ZINC000069454097 396078727 /nfs/dbraw/zinc/07/87/27/396078727.db2.gz ZNYKQTUSAOQICM-STQMWFEESA-N 0 0 319.365 0.908 50 0 DCAARN Cc1cnn(C[C@H]2CN(CC(=O)Nc3nccs3)CCO2)c1 ZINC000069452118 396078912 /nfs/dbraw/zinc/07/89/12/396078912.db2.gz KTMMPKSRXRCNRA-GFCCVEGCSA-N 0 0 321.406 0.988 50 0 DCAARN Cc1csc(N2CCN(CCN3C(=O)CNC3=O)CC2)n1 ZINC000069534301 396082059 /nfs/dbraw/zinc/08/20/59/396082059.db2.gz HLHCLFRFHYIHBR-UHFFFAOYSA-N 0 0 309.395 0.125 50 0 DCAARN COCCN1CCN(CC(=O)NCCc2ccc(F)cc2)CC1 ZINC000069627890 396085393 /nfs/dbraw/zinc/08/53/93/396085393.db2.gz JGSRFEGASVEQGD-UHFFFAOYSA-N 0 0 323.412 0.748 50 0 DCAARN CCN1CCO[C@@H](C(=O)NCCc2nc3ccccc3n2C)C1 ZINC000074367720 396165651 /nfs/dbraw/zinc/16/56/51/396165651.db2.gz TZLOESWJFVUEKF-OAHLLOKOSA-N 0 0 316.405 0.953 50 0 DCAARN Cc1cnn(CCC(=O)N2CCN(c3cnn(C)c3)CC2)c1 ZINC000074392834 396166269 /nfs/dbraw/zinc/16/62/69/396166269.db2.gz KNPCVCBEJKRMAU-UHFFFAOYSA-N 0 0 302.382 0.664 50 0 DCAARN CCN1CCO[C@@H](CN2CCN(Cc3nccn3C)CC2)C1 ZINC000075129522 396176850 /nfs/dbraw/zinc/17/68/50/396176850.db2.gz FCVMCDGZGXPJFE-OAHLLOKOSA-N 0 0 307.442 0.258 50 0 DCAARN COC(=O)C1=C(C(C)=O)NN(c2ccccc2)[C@H]1C(=O)OC ZINC000075286104 396178702 /nfs/dbraw/zinc/17/87/02/396178702.db2.gz KTCOESHXEDWQTQ-DGCLKSJQSA-N 0 0 304.302 0.782 50 0 DCAARN CC(=O)N[C@@](C)(C(=O)N1CCC[C@H](n2cncn2)C1)C1CC1 ZINC000075602638 396181743 /nfs/dbraw/zinc/18/17/43/396181743.db2.gz IOIZXWCOVOPRKS-DZGCQCFKSA-N 0 0 305.382 0.746 50 0 DCAARN Cc1ncc2c(n1)CN(CC(=O)N1CCCC[C@H]1C(N)=O)CC2 ZINC000075584785 396181899 /nfs/dbraw/zinc/18/18/99/396181899.db2.gz PDYZGOFFQMFXTI-AWEZNQCLSA-N 0 0 317.393 0.010 50 0 DCAARN NC(=O)[C@H]1CCC[C@H]1NC(=O)CCS(=O)(=O)C1CCCC1 ZINC000076042296 396192200 /nfs/dbraw/zinc/19/22/00/396192200.db2.gz QCEHHIJMKSNHTM-NWDGAFQWSA-N 0 0 316.423 0.504 50 0 DCAARN Cc1nnc([C@H]2CN(C[C@H](O)COCc3ccco3)CCO2)[nH]1 ZINC000076050361 396193648 /nfs/dbraw/zinc/19/36/48/396193648.db2.gz LAUULORXDFXSFE-GXTWGEPZSA-N 0 0 322.365 0.657 50 0 DCAARN C[C@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1N1CCOCC1 ZINC000076053110 396195147 /nfs/dbraw/zinc/19/51/47/396195147.db2.gz RDNKBOIDZDPPGV-KBPBESRZSA-N 0 0 307.398 0.237 50 0 DCAARN CCNC(=O)NC(=O)Cn1cc(I)cn1 ZINC000077962908 396237139 /nfs/dbraw/zinc/23/71/39/396237139.db2.gz QRDBAUSCJFMNMG-UHFFFAOYSA-N 0 0 322.106 0.333 50 0 DCAARN O=C1CC[C@@H](CNS(=O)(=O)N2CCC[C@H]2c2ccco2)N1 ZINC000078880941 396255829 /nfs/dbraw/zinc/25/58/29/396255829.db2.gz HSJPSXLRBADZRG-QWRGUYRKSA-N 0 0 313.379 0.530 50 0 DCAARN Cc1cc([C@@H]2CCCN(C(=O)CN3CCCNC3=O)C2)[nH]n1 ZINC000078902104 396258066 /nfs/dbraw/zinc/25/80/66/396258066.db2.gz APOFNTHHUDFDRK-GFCCVEGCSA-N 0 0 305.382 0.839 50 0 DCAARN CNC(=O)c1ccc(C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)cn1 ZINC000264244651 396265425 /nfs/dbraw/zinc/26/54/25/396265425.db2.gz KDUKZJYLHLBEHL-NWDGAFQWSA-N 0 0 320.393 0.280 50 0 DCAARN O=C(CCc1nc2cccnc2[nH]1)NCCCN1CCOCC1 ZINC000079488067 396265763 /nfs/dbraw/zinc/26/57/63/396265763.db2.gz XDADTMUHUPRESD-UHFFFAOYSA-N 0 0 317.393 0.729 50 0 DCAARN COc1ccc2nnc(CCC(=O)NCCc3c[nH]cn3)n2n1 ZINC000079501820 396266020 /nfs/dbraw/zinc/26/60/20/396266020.db2.gz NCJARMDVJNJEPW-UHFFFAOYSA-N 0 0 315.337 0.148 50 0 DCAARN O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)c1ccc(F)cn1 ZINC000183408431 396268901 /nfs/dbraw/zinc/26/89/01/396268901.db2.gz NVNOCAUOZZLZCS-RMLUDKJBSA-N 0 0 306.297 0.329 50 0 DCAARN O=C(c1ccccc1N1CCOCC1)N1CCOC[C@@H](CO)C1 ZINC000077288092 396216938 /nfs/dbraw/zinc/21/69/38/396216938.db2.gz RIWNSJILZXYRNM-CQSZACIVSA-N 0 0 320.389 0.604 50 0 DCAARN Cn1c(CN2CCCC2)nnc1C1CC[NH+](CC(=O)[O-])CC1 ZINC000077407887 396221388 /nfs/dbraw/zinc/22/13/88/396221388.db2.gz XLGXNLAKRCIZJV-UHFFFAOYSA-N 0 0 307.398 0.675 50 0 DCAARN O=C(CN1CCOC1=O)N1CCCN(Cc2cccnc2)CC1 ZINC000077419109 396222279 /nfs/dbraw/zinc/22/22/79/396222279.db2.gz RHZSXPWCUAGOKZ-UHFFFAOYSA-N 0 0 318.377 0.568 50 0 DCAARN CCCCc1nn(CC(=O)NCc2nnc(C)[nH]2)c(=O)n1CC ZINC000077516664 396225019 /nfs/dbraw/zinc/22/50/19/396225019.db2.gz MVIIKMKIDHUXQN-UHFFFAOYSA-N 0 0 321.385 0.150 50 0 DCAARN Cn1nc(C(=O)N2CCNC(=O)C2(C)C)cc1OC(F)F ZINC000185517448 396329453 /nfs/dbraw/zinc/32/94/53/396329453.db2.gz DPVODHDOHDAIAN-UHFFFAOYSA-N 0 0 302.281 0.372 50 0 DCAARN CCn1cc(NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2)cn1 ZINC000190759981 396411120 /nfs/dbraw/zinc/41/11/20/396411120.db2.gz BJZBIUHZXCECMO-ZDUSSCGKSA-N 0 0 316.365 0.729 50 0 DCAARN CO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)Cc1ccc(F)cc1 ZINC000584885821 396632174 /nfs/dbraw/zinc/63/21/74/396632174.db2.gz NKESRIDNPUXSHS-STQMWFEESA-N 0 0 302.371 0.574 50 0 DCAARN CCc1noc(CCNC(=O)c2cccc(-n3cnnc3)n2)n1 ZINC000584886804 396632193 /nfs/dbraw/zinc/63/21/93/396632193.db2.gz GAUNAPIHSHLNLC-UHFFFAOYSA-N 0 0 313.321 0.580 50 0 DCAARN CNS(=O)(=O)CCn1cnc2c(Cl)cccc2c1=O ZINC000584886401 396632335 /nfs/dbraw/zinc/63/23/35/396632335.db2.gz GEQATVONLLAKDN-UHFFFAOYSA-N 0 0 301.755 0.599 50 0 DCAARN CCc1nnc(CN(C)C(=O)[C@@H]2CCCCn3nnnc32)o1 ZINC000584889711 396633055 /nfs/dbraw/zinc/63/30/55/396633055.db2.gz WAPXDQLUJKUNGF-SECBINFHSA-N 0 0 305.342 0.545 50 0 DCAARN Cc1n[nH]c(C)c1CCCN(C)C(=O)c1ccc(=O)n(C)n1 ZINC000584889287 396633069 /nfs/dbraw/zinc/63/30/69/396633069.db2.gz VCEHGLOJFJZGSG-UHFFFAOYSA-N 0 0 303.366 0.825 50 0 DCAARN CN(Cc1cc(-c2ccccc2)on1)C(=O)CNS(C)(=O)=O ZINC000584892975 396634221 /nfs/dbraw/zinc/63/42/21/396634221.db2.gz AGEKZQXGYYGKDN-UHFFFAOYSA-N 0 0 323.374 0.849 50 0 DCAARN CN1C[C@]2(CCN(C(=O)COCc3ccccc3)C2)OCC1=O ZINC000584893470 396634658 /nfs/dbraw/zinc/63/46/58/396634658.db2.gz ZZLRIKFIBKQGDO-KRWDZBQOSA-N 0 0 318.373 0.663 50 0 DCAARN O=C([C@H]1CCCCn2nnnc21)N1CCC2(CNC(=O)O2)CC1 ZINC000584898273 396635321 /nfs/dbraw/zinc/63/53/21/396635321.db2.gz HYZVVDJQIHJILY-JTQLQIEISA-N 0 0 320.353 0.042 50 0 DCAARN COCCOCCOCCCNC(=O)N1CCC(=O)[C@H](C)C1 ZINC000585137153 396641611 /nfs/dbraw/zinc/64/16/11/396641611.db2.gz KODGHNVVDXXRHN-CYBMUJFWSA-N 0 0 316.398 0.677 50 0 DCAARN C[C@@H](C(=O)N[C@@H]1CCSC1=O)n1nc2c(cc1=O)CCC2 ZINC000585150527 396642168 /nfs/dbraw/zinc/64/21/68/396642168.db2.gz PDKUFOSFRSOMMY-GZMMTYOYSA-N 0 0 307.375 0.441 50 0 DCAARN O=C(Nc1cc(F)cc(F)c1)N[C@@H](CO)CN1CCOCC1 ZINC000630093828 396939677 /nfs/dbraw/zinc/93/96/77/396939677.db2.gz RIBQICLMZLBSML-CYBMUJFWSA-N 0 0 315.320 0.779 50 0 DCAARN C[C@@H]1[C@@H](C(F)(F)F)OCCN1C(=O)c1ccn2nnnc2c1 ZINC000619271656 397109485 /nfs/dbraw/zinc/10/94/85/397109485.db2.gz VATILVBYBIGZDU-XCBNKYQSSA-N 0 0 315.255 0.916 50 0 DCAARN Cn1ccc([C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC000390830271 397303404 /nfs/dbraw/zinc/30/34/04/397303404.db2.gz JWMQKGVGMBVRTB-NSHDSACASA-N 0 0 301.350 0.534 50 0 DCAARN Cc1cc(C)nc(O[C@@H]2CCN(C(=O)Cn3cccn3)C2)n1 ZINC000390827581 397303533 /nfs/dbraw/zinc/30/35/33/397303533.db2.gz HZZZMFFKTXXXMJ-CYBMUJFWSA-N 0 0 301.350 0.970 50 0 DCAARN CC[C@@H](C)CS(=O)(=O)N1CCSC[C@@H]1S(C)(=O)=O ZINC000408513737 397358253 /nfs/dbraw/zinc/35/82/53/397358253.db2.gz VGXNRLLGQOBZEU-ZJUUUORDSA-N 0 0 315.482 0.782 50 0 DCAARN CC[C@H](C)[C@@H](C(=O)Nc1nnc(COC)s1)n1cnnn1 ZINC000604419725 397639705 /nfs/dbraw/zinc/63/97/05/397639705.db2.gz XMJMTFUTZGTNRL-CBAPKCEASA-N 0 0 311.371 0.897 50 0 DCAARN O=C(/C=C\C=C(Cl)Cl)NC[C@H](O)CN1CCOCC1 ZINC000606445858 397681545 /nfs/dbraw/zinc/68/15/45/397681545.db2.gz CNPNRARIXDEXQU-OODOAVRDSA-N 0 0 309.193 0.671 50 0 DCAARN CCO[C@@H]1CCCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000071825549 286206547 /nfs/dbraw/zinc/20/65/47/286206547.db2.gz IANMAPBNLCONIQ-GFCCVEGCSA-N 0 0 323.393 0.879 50 0 DCAARN COCCC[N@@H+]1CCN(C(=O)c2ccc[nH]2)C[C@@H](C(=O)[O-])C1 ZINC000097480363 292353945 /nfs/dbraw/zinc/35/39/45/292353945.db2.gz YDGKXPHBTSSBFC-LBPRGKRZSA-N 0 0 309.366 0.510 50 0 DCAARN O=C(Cn1cnc(C2CCC2)cc1=O)NCC(=O)N1CCCC1 ZINC000089701700 158098728 /nfs/dbraw/zinc/09/87/28/158098728.db2.gz FTNVTUTXRJIDFD-UHFFFAOYSA-N 0 0 318.377 0.249 50 0 DCAARN COCCC[C@]1(C(=O)[O-])CCC[N@H+](CCS(C)(=O)=O)C1 ZINC000091713919 292384391 /nfs/dbraw/zinc/38/43/91/292384391.db2.gz IUANLKFLMKJDTD-CYBMUJFWSA-N 0 0 307.412 0.624 50 0 DCAARN O=C(CCn1ccnn1)N1CCC(Oc2cnccn2)CC1 ZINC000328740566 159025925 /nfs/dbraw/zinc/02/59/25/159025925.db2.gz LXOXXBVBZQGLCW-UHFFFAOYSA-N 0 0 302.338 0.528 50 0 DCAARN O=C1C[C@H](NS(=O)(=O)C[C@@H]2CCCO2)[C@@H]2CCCCN12 ZINC000328755144 159027553 /nfs/dbraw/zinc/02/75/53/159027553.db2.gz STLMXVQVMHHIKG-SRVKXCTJSA-N 0 0 302.396 0.238 50 0 DCAARN CC(C)(C)n1nnnc1CN1CCS(=O)(=O)CC1(C)C ZINC000329183113 159071195 /nfs/dbraw/zinc/07/11/95/159071195.db2.gz NWDXMLVKRAAFMC-UHFFFAOYSA-N 0 0 301.416 0.437 50 0 DCAARN CC[C@@H](NS(C)(=O)=O)c1ccccc1OCC(=O)NC ZINC000048672434 286917790 /nfs/dbraw/zinc/91/77/90/286917790.db2.gz OIMOBZXWKZWQSL-LLVKDONJSA-N 0 0 300.380 0.812 50 0 DCAARN O=S(=O)(C[C@@H]1CCCCO1)Nc1ccc(-n2cncn2)nc1 ZINC000150841179 287030857 /nfs/dbraw/zinc/03/08/57/287030857.db2.gz AUYNRTIAXIRECY-LBPRGKRZSA-N 0 0 323.378 0.973 50 0 DCAARN CC[C@@H]1CN(S(=O)(=O)C[C@H]2CCOC2)C[C@]2(CCOC2)O1 ZINC000330093401 287203922 /nfs/dbraw/zinc/20/39/22/287203922.db2.gz ZTDUZHAJCMWUKX-MJBXVCDLSA-N 0 0 319.423 0.623 50 0 DCAARN C[C@H]1C(=O)N(CC(=O)N2CCNC2=O)C(=O)N1c1ccccc1 ZINC000014171099 415149675 /nfs/dbraw/zinc/14/96/75/415149675.db2.gz VJKORFFANAHATK-JTQLQIEISA-N 0 0 316.317 0.396 50 0 DCAARN O=C1N[C@@H](Cc2ccccc2)C(=O)N2CC[N@H+](CC3CC3)C[C@H]12 ZINC000014752564 415151395 /nfs/dbraw/zinc/15/13/95/415151395.db2.gz NIQDAYVWVPVRKH-JKSUJKDBSA-N 0 0 313.401 0.650 50 0 DCAARN C[C@H]1CN(C(C)(C)CNC(=O)c2nccnc2N)C[C@H](C)O1 ZINC000021063662 415154491 /nfs/dbraw/zinc/15/44/91/415154491.db2.gz JUBWXBZYQRFFGS-QWRGUYRKSA-N 0 0 307.398 0.676 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)Cc2c(C)noc2C)CC1 ZINC000025230632 415162178 /nfs/dbraw/zinc/16/21/78/415162178.db2.gz ULZCZJDDIUUAKY-UHFFFAOYSA-N 0 0 308.382 0.161 50 0 DCAARN Cc1nn(C)cc1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000006527380 415132116 /nfs/dbraw/zinc/13/21/16/415132116.db2.gz TWHGOJKKQQLKQZ-UHFFFAOYSA-N 0 0 322.394 0.029 50 0 DCAARN CCCn1c(N)c(C(=O)CN(C)c2ccccc2)c(=O)[nH]c1=O ZINC000006910409 415135239 /nfs/dbraw/zinc/13/52/39/415135239.db2.gz KPZSMCLCIYOIHD-UHFFFAOYSA-N 0 0 316.361 0.848 50 0 DCAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCCc1ccco1 ZINC000007139202 415137125 /nfs/dbraw/zinc/13/71/25/415137125.db2.gz YMORLMQLFOYIIK-UHFFFAOYSA-N 0 0 313.313 0.642 50 0 DCAARN COc1cc2ncn(CC(=O)NC3CC3)c(=O)c2cc1OC ZINC000007058303 415138115 /nfs/dbraw/zinc/13/81/15/415138115.db2.gz KKKITWDDXQDZDK-UHFFFAOYSA-N 0 0 303.318 0.692 50 0 DCAARN C[C@]1(NS(=O)(=O)c2ccccc2F)CCS(=O)(=O)C1 ZINC000007304255 415138598 /nfs/dbraw/zinc/13/85/98/415138598.db2.gz RJXXOPOWBYPPPH-NSHDSACASA-N 0 0 307.368 0.681 50 0 DCAARN O=C(Cc1n[nH]c(=O)c2ccccc12)NC1CCC(O)CC1 ZINC000007736757 415140318 /nfs/dbraw/zinc/14/03/18/415140318.db2.gz LUMKPOFTZOHZML-UHFFFAOYSA-N 0 0 301.346 0.885 50 0 DCAARN O=S(=O)(c1ccc(SCCO)nc1)N1CCOCC1 ZINC000007985233 415143172 /nfs/dbraw/zinc/14/31/72/415143172.db2.gz SGGRVBCAGPMULA-UHFFFAOYSA-N 0 0 304.393 0.187 50 0 DCAARN CN(C)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O ZINC000008623922 415145306 /nfs/dbraw/zinc/14/53/06/415145306.db2.gz GMFLAJYXMPPJTH-MRXNPFEDSA-N 0 0 301.346 0.858 50 0 DCAARN CNC(=O)NC(=O)CN1c2ccccc2[C@H](C(N)=O)C[C@@H]1C ZINC000040068530 415192758 /nfs/dbraw/zinc/19/27/58/415192758.db2.gz VXBHVNOGOZAKCH-GXSJLCMTSA-N 0 0 304.350 0.310 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@@]1(C)Sc2ccccc2N(C)C1=O ZINC000040808253 415197247 /nfs/dbraw/zinc/19/72/47/415197247.db2.gz VEJDEVQJULDVBU-OAHLLOKOSA-N 0 0 321.402 0.718 50 0 DCAARN O=C(N[C@H]1CCCCNC1=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000040521500 415198370 /nfs/dbraw/zinc/19/83/70/415198370.db2.gz QAHOUWSBMDCECS-QWHCGFSZSA-N 0 0 302.330 0.553 50 0 DCAARN CCN(CC)S(=O)(=O)N1CCN(Cc2cc(C)on2)CC1 ZINC000044895168 415232538 /nfs/dbraw/zinc/23/25/38/415232538.db2.gz WFRZCEPTTWCEFQ-UHFFFAOYSA-N 0 0 316.427 0.687 50 0 DCAARN O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1ccccn1 ZINC000044911482 415232924 /nfs/dbraw/zinc/23/29/24/415232924.db2.gz WFXUIMCVQWSSBG-DZGCQCFKSA-N 0 0 305.378 0.549 50 0 DCAARN O=C(NCCCNc1ccccc1)C(=O)Nc1c[nH]ccc1=O ZINC000044902600 415233008 /nfs/dbraw/zinc/23/30/08/415233008.db2.gz KSUAWVXBASVGAX-UHFFFAOYSA-N 0 0 314.345 0.932 50 0 DCAARN C[C@@H](Cc1ccccc1Cl)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000044939081 415234444 /nfs/dbraw/zinc/23/44/44/415234444.db2.gz ZZSVJRKWQQLAHB-JTQLQIEISA-N 0 0 321.764 0.937 50 0 DCAARN O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)Nc1ccncc1 ZINC000044967831 415238486 /nfs/dbraw/zinc/23/84/86/415238486.db2.gz FXJYSNDRWBJSAY-HIFRSBDPSA-N 0 0 320.393 0.940 50 0 DCAARN C[C@@H](C(=O)NCCOc1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000044953842 415239824 /nfs/dbraw/zinc/23/98/24/415239824.db2.gz PAXFONRJMHGCBA-VIFPVBQESA-N 0 0 315.347 0.343 50 0 DCAARN CONC(=O)NCCNS(=O)(=O)c1cc(C)ccc1C ZINC000045863002 415250464 /nfs/dbraw/zinc/25/04/64/415250464.db2.gz SQVYBKOPDXCFPJ-UHFFFAOYSA-N 0 0 301.368 0.442 50 0 DCAARN Cc1cc(CN(C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)no1 ZINC000045674365 415252509 /nfs/dbraw/zinc/25/25/09/415252509.db2.gz WVPQWLMNRCSELG-JTQLQIEISA-N 0 0 301.368 0.559 50 0 DCAARN Cc1ccc2nnc(C(=O)N[C@@H]3CCS(=O)(=O)C3)nc2c1 ZINC000046088611 415254957 /nfs/dbraw/zinc/25/49/57/415254957.db2.gz JOSAZNQWHBJJGL-SECBINFHSA-N 0 0 306.347 0.250 50 0 DCAARN CCCCn1nc(C(=O)N(C)CC(N)=O)c2ccccc2c1=O ZINC000046979632 415262322 /nfs/dbraw/zinc/26/23/22/415262322.db2.gz YZHFRUCJGPZXHO-UHFFFAOYSA-N 0 0 316.361 0.754 50 0 DCAARN CC(C)CNC(=O)[C@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC000046974164 415262755 /nfs/dbraw/zinc/26/27/55/415262755.db2.gz QZJHSWIKRCTDOG-ZDUSSCGKSA-N 0 0 307.398 0.679 50 0 DCAARN COc1ccccc1[C@@H](O)CNC(=O)N[C@H](C)c1nncn1C ZINC000046962896 415264822 /nfs/dbraw/zinc/26/48/22/415264822.db2.gz HFBDFJDUPSIRHJ-PWSUYJOCSA-N 0 0 319.365 0.918 50 0 DCAARN C[C@H]1CCCCN1S(=O)(=O)N(CC(N)=O)C1CCCC1 ZINC000047281683 415265496 /nfs/dbraw/zinc/26/54/96/415265496.db2.gz QXKFPYKKCGUPSB-NSHDSACASA-N 0 0 303.428 0.836 50 0 DCAARN O=C(CN1CCCC1=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000047231172 415267775 /nfs/dbraw/zinc/26/77/75/415267775.db2.gz QPGKTYNXZSYLIF-UHFFFAOYSA-N 0 0 317.393 0.553 50 0 DCAARN CC(C)N(CCCNC(=O)[C@H](C)n1cncn1)S(C)(=O)=O ZINC000047044886 415267891 /nfs/dbraw/zinc/26/78/91/415267891.db2.gz TZNGENYTATUKHE-NSHDSACASA-N 0 0 317.415 0.015 50 0 DCAARN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000047502049 415270968 /nfs/dbraw/zinc/27/09/68/415270968.db2.gz FIKWPUONUYIIAQ-ZCFIWIBFSA-N 0 0 324.280 0.767 50 0 DCAARN C[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(F)cc2F)CCO1 ZINC000047658237 415274033 /nfs/dbraw/zinc/27/40/33/415274033.db2.gz ZPGZBATXFMVQBI-VIFPVBQESA-N 0 0 319.329 0.986 50 0 DCAARN C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1cccnc1 ZINC000044387781 415220346 /nfs/dbraw/zinc/22/03/46/415220346.db2.gz XLTLVCOSGKYYCX-AAEUAGOBSA-N 0 0 311.407 0.930 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000044709523 415223969 /nfs/dbraw/zinc/22/39/69/415223969.db2.gz SGOLMBGXUZZXPI-NEPJUHHUSA-N 0 0 321.308 0.324 50 0 DCAARN O=C(CN1CCN([C@H]2CCOC2=O)CC1)NCc1ccccc1 ZINC000044894501 415228274 /nfs/dbraw/zinc/22/82/74/415228274.db2.gz VNBWWRCGLXUBMV-HNNXBMFYSA-N 0 0 317.389 0.236 50 0 DCAARN Cc1cc(CN2CCN(C(=O)CCn3cccn3)CC2)on1 ZINC000044893872 415228701 /nfs/dbraw/zinc/22/87/01/415228701.db2.gz YSECVLIBRQWXAZ-UHFFFAOYSA-N 0 0 303.366 0.914 50 0 DCAARN CC[C@@H](C)N1CCC(=O)N(Cc2cc(=O)n(C)c(=O)n2C)C1=O ZINC000044892844 415229488 /nfs/dbraw/zinc/22/94/88/415229488.db2.gz KUXYXKSAIYVGIS-SNVBAGLBSA-N 0 0 322.365 0.037 50 0 DCAARN Cn1cc(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)cn1 ZINC000044915763 415231521 /nfs/dbraw/zinc/23/15/21/415231521.db2.gz BUXOMOOPMWGFDU-ZDUSSCGKSA-N 0 0 312.333 0.479 50 0 DCAARN C[C@H](NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1nnc2n1CCC2 ZINC000048253530 415285985 /nfs/dbraw/zinc/28/59/85/415285985.db2.gz MKJKZXLZAPGJIC-CMPLNLGQSA-N 0 0 317.393 0.660 50 0 DCAARN Cc1ccc(S(=O)(=O)NC2CCN(CC(N)=O)CC2)cc1 ZINC000048250613 415287978 /nfs/dbraw/zinc/28/79/78/415287978.db2.gz RJXRMMCFZGKFFH-UHFFFAOYSA-N 0 0 311.407 0.223 50 0 DCAARN CCN1CCN(CC(=O)N[C@@H]2CCc3ccccc32)C(=O)C1=O ZINC000048309848 415292995 /nfs/dbraw/zinc/29/29/95/415292995.db2.gz RPXAEUXAJBWIHE-CQSZACIVSA-N 0 0 315.373 0.481 50 0 DCAARN C[C@H](SCc1ccccc1)C(=O)NCCNS(C)(=O)=O ZINC000048544909 415296486 /nfs/dbraw/zinc/29/64/86/415296486.db2.gz IQKVRPINQKVUCJ-NSHDSACASA-N 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XXGQOASINNCMSN-SNVBAGLBSA-N 0 0 322.365 0.500 50 0 DCAARN COc1ccc(N2C[C@@H](C(=O)N(C)C[C@@H](C)O)CC2=O)cc1 ZINC000075092836 415434422 /nfs/dbraw/zinc/43/44/22/415434422.db2.gz ZMQOVXQGXUDQAG-NEPJUHHUSA-N 0 0 306.362 0.887 50 0 DCAARN CCCCN(C)c1ccc(S(=O)(=O)NCC(=O)OC)cn1 ZINC000075147130 415439076 /nfs/dbraw/zinc/43/90/76/415439076.db2.gz NVHMZTVUHFSTSO-UHFFFAOYSA-N 0 0 315.395 0.769 50 0 DCAARN O=C(NC[C@]1(O)CCc2ccccc21)C(=O)NC1CCCC1 ZINC000075155746 415439326 /nfs/dbraw/zinc/43/93/26/415439326.db2.gz WMRGJRQHECCPPB-QGZVFWFLSA-N 0 0 302.374 0.995 50 0 DCAARN COc1ccccc1OC1CN(C(=O)CN2CCC[C@H](O)C2)C1 ZINC000095367966 415555378 /nfs/dbraw/zinc/55/53/78/415555378.db2.gz CPEMSCSACFSPNX-ZDUSSCGKSA-N 0 0 320.389 0.742 50 0 DCAARN COCCn1nnc([C@@H]2CN(c3ncnc(C)c3C)CCO2)n1 ZINC000095380935 415556502 /nfs/dbraw/zinc/55/65/02/415556502.db2.gz DIDKSBMKCKUSOE-LBPRGKRZSA-N 0 0 319.369 0.304 50 0 DCAARN CN(C)C(=O)CC[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000095383976 415559091 /nfs/dbraw/zinc/55/90/91/415559091.db2.gz LSTNIOKVAXSNMY-JTQLQIEISA-N 0 0 322.365 0.196 50 0 DCAARN CN1C[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1=O ZINC000095956342 415563200 /nfs/dbraw/zinc/56/32/00/415563200.db2.gz YFHUAEIPKAVAMS-UONOGXRCSA-N 0 0 315.373 0.382 50 0 DCAARN COc1ccccc1CCNC(=O)CN1C(=O)N[C@@H](C)C1=O ZINC000095947364 415565183 /nfs/dbraw/zinc/56/51/83/415565183.db2.gz HQNWTOGFXCORFB-JTQLQIEISA-N 0 0 305.334 0.294 50 0 DCAARN CCOCC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000096005316 415566742 /nfs/dbraw/zinc/56/67/42/415566742.db2.gz YMQVMBZIOYSSFC-ZDUSSCGKSA-N 0 0 318.439 0.876 50 0 DCAARN Cc1noc(C)c1[C@@H](C)C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000095960848 415569273 /nfs/dbraw/zinc/56/92/73/415569273.db2.gz DCVQBMZFBXCMIN-SSDOTTSWSA-N 0 0 306.322 0.431 50 0 DCAARN C[C@@H](NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C(C)(C)C ZINC000095958612 415569557 /nfs/dbraw/zinc/56/95/57/415569557.db2.gz LVZQEVUBHMEAEO-MRVPVSSYSA-N 0 0 321.381 0.433 50 0 DCAARN COCCNC(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000096025408 415573225 /nfs/dbraw/zinc/57/32/25/415573225.db2.gz JOBVLHJVQCTZMN-CYBMUJFWSA-N 0 0 312.391 0.891 50 0 DCAARN Cc1nnc(COC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)o1 ZINC000102127572 415596445 /nfs/dbraw/zinc/59/64/45/415596445.db2.gz CEOODAPMNVURAL-GHMZBOCLSA-N 0 0 321.333 0.987 50 0 DCAARN CCN1C(=O)C[C@@H](N(C)Cc2ccc(C(=O)NC)cc2)C1=O ZINC000102616181 415600145 /nfs/dbraw/zinc/60/01/45/415600145.db2.gz AIPSNDHBZWNCJZ-CYBMUJFWSA-N 0 0 303.362 0.625 50 0 DCAARN O=C(NCCc1cccnc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111812678 415697262 /nfs/dbraw/zinc/69/72/62/415697262.db2.gz SILXNBBBZZNCCY-OAHLLOKOSA-N 0 0 315.377 0.931 50 0 DCAARN Cc1ccc(F)c2c1CCCN2CC(=O)N1CCNC(=O)C1 ZINC000112579407 415710876 /nfs/dbraw/zinc/71/08/76/415710876.db2.gz HZJUQSRNNADUPW-UHFFFAOYSA-N 0 0 305.353 0.845 50 0 DCAARN COC[C@@H]1C[C@@H](OC)CN1Cc1nnnn1-c1ccccc1 ZINC000344366219 415896876 /nfs/dbraw/zinc/89/68/76/415896876.db2.gz LMFGFGMCLIWOSC-UONOGXRCSA-N 0 0 303.366 0.898 50 0 DCAARN CC(C)c1noc(CCNS(=O)(=O)[C@H]2CCO[C@@H]2C)n1 ZINC000135603368 415960110 /nfs/dbraw/zinc/96/01/10/415960110.db2.gz ROOBAJVLYJVBNQ-ZJUUUORDSA-N 0 0 303.384 0.832 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCN(C(=O)c2cn3ccsc3n2)C1 ZINC000299762177 416063595 /nfs/dbraw/zinc/06/35/95/416063595.db2.gz LRCJHURXDOLFLI-MRVPVSSYSA-N 0 0 314.392 0.146 50 0 DCAARN COc1cccc(C)c1NC(=O)NCCCN1CCNC(=O)C1 ZINC000299756125 416064855 /nfs/dbraw/zinc/06/48/55/416064855.db2.gz CHYIPHLLANEGBY-UHFFFAOYSA-N 0 0 320.393 0.947 50 0 DCAARN CCc1nccn1CCC(=O)N1CCc2[nH]nc(CO)c2C1 ZINC000299772141 416065887 /nfs/dbraw/zinc/06/58/87/416065887.db2.gz YTYXKHUHOIDQRE-UHFFFAOYSA-N 0 0 303.366 0.636 50 0 DCAARN Cn1cncc1C(=O)N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O ZINC000299767623 416065996 /nfs/dbraw/zinc/06/59/96/416065996.db2.gz IYVPAOZXRDAEDV-UKRRQHHQSA-N 0 0 315.377 0.180 50 0 DCAARN CN1CCN(CC(=O)NCCc2cn3ccccc3n2)C1=O ZINC000299766315 416066189 /nfs/dbraw/zinc/06/61/89/416066189.db2.gz CGTYLLCAPBYDDD-UHFFFAOYSA-N 0 0 301.350 0.360 50 0 DCAARN O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1c[nH]c(=O)cn1 ZINC000299768616 416066350 /nfs/dbraw/zinc/06/63/50/416066350.db2.gz LIWITPHEWVIYSS-UHFFFAOYSA-N 0 0 319.365 0.592 50 0 DCAARN O=C(CCn1cnnn1)N[C@H]1CCCN(Cc2cccnc2)C1 ZINC000299776346 416066669 /nfs/dbraw/zinc/06/66/69/416066669.db2.gz AGCNZEUPSWGANQ-AWEZNQCLSA-N 0 0 315.381 0.239 50 0 DCAARN CN(C)S(=O)(=O)CCNC(=O)Nc1cccc2n[nH]cc21 ZINC000299775130 416068078 /nfs/dbraw/zinc/06/80/78/416068078.db2.gz HKJBDQXSFSNXPY-UHFFFAOYSA-N 0 0 311.367 0.576 50 0 DCAARN CC(C)n1cnnc1[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000299778448 416068095 /nfs/dbraw/zinc/06/80/95/416068095.db2.gz MYQFZIHVWCHCTP-QMMMGPOBSA-N 0 0 306.326 0.149 50 0 DCAARN O=C(CCn1cnnn1)N[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000299776349 416068146 /nfs/dbraw/zinc/06/81/46/416068146.db2.gz AGCNZEUPSWGANQ-CQSZACIVSA-N 0 0 315.381 0.239 50 0 DCAARN O=C(NC1CCN(C(=O)C2CC2)CC1)c1cccn2cnnc12 ZINC000299786810 416069847 /nfs/dbraw/zinc/06/98/47/416069847.db2.gz NLIQJILHJBPMLM-UHFFFAOYSA-N 0 0 313.361 0.860 50 0 DCAARN CC(C)(C)c1cc(CNC(=O)[C@H]2CCC(=O)NC(=O)N2)[nH]n1 ZINC000299799386 416070661 /nfs/dbraw/zinc/07/06/61/416070661.db2.gz RIUFYRZASHOXRC-SECBINFHSA-N 0 0 307.354 0.312 50 0 DCAARN CCn1cc(S(=O)(=O)N(C)[C@H](C)C[S@](C)=O)nc1C ZINC000331084482 416261943 /nfs/dbraw/zinc/26/19/43/416261943.db2.gz ZISWDCLDAWFIJO-LZVRBXCZSA-N 0 0 307.441 0.599 50 0 DCAARN C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000189735386 416270296 /nfs/dbraw/zinc/27/02/96/416270296.db2.gz BSAAGXQZIDGXAZ-RRFJBIMHSA-N 0 0 314.426 0.486 50 0 DCAARN O=C(NCCN1CCS(=O)(=O)CC1)c1ccoc1Cl ZINC000192413157 416306026 /nfs/dbraw/zinc/30/60/26/416306026.db2.gz OLYCUFKBWTZLBS-UHFFFAOYSA-N 0 0 306.771 0.393 50 0 DCAARN CS(=O)(=O)NCC1CCN(Cc2noc(C3CC3)n2)CC1 ZINC000352256187 416310870 /nfs/dbraw/zinc/31/08/70/416310870.db2.gz GTSWGYNDITXBQH-UHFFFAOYSA-N 0 0 314.411 0.708 50 0 DCAARN O=C(CCN1CCCS1(=O)=O)N(Cc1ccncc1)C1CC1 ZINC000193466375 416316812 /nfs/dbraw/zinc/31/68/12/416316812.db2.gz YRPBBEMONUADBV-UHFFFAOYSA-N 0 0 323.418 0.998 50 0 DCAARN C[C@H](C(=O)NC1=NCCS1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000252457397 416334591 /nfs/dbraw/zinc/33/45/91/416334591.db2.gz FGKNYHBWMACBRP-OPRDCNLKSA-N 0 0 307.375 0.545 50 0 DCAARN O=C(COc1ccc(F)cc1)N1CCc2n[nH]c(=O)cc2C1 ZINC000263617503 416338461 /nfs/dbraw/zinc/33/84/61/416338461.db2.gz OCAYKELBRBDRAK-UHFFFAOYSA-N 0 0 303.293 0.873 50 0 DCAARN CO[C@H](C)CS(=O)(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000195111277 416325135 /nfs/dbraw/zinc/32/51/35/416325135.db2.gz URKZKPDSDNKIHV-VXGBXAGGSA-N 0 0 314.411 0.400 50 0 DCAARN O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCOCC1 ZINC000206256515 416326895 /nfs/dbraw/zinc/32/68/95/416326895.db2.gz XFRNYRUCXHJOHA-GFCCVEGCSA-N 0 0 321.333 0.339 50 0 DCAARN O=C(CCn1cnnn1)N1CCc2[nH]c(-c3cccnc3)nc2C1 ZINC000215543651 416326944 /nfs/dbraw/zinc/32/69/44/416326944.db2.gz WGGNPYGXYYBVQN-UHFFFAOYSA-N 0 0 324.348 0.433 50 0 DCAARN Cc1ccc(CCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1C ZINC000215232244 416327048 /nfs/dbraw/zinc/32/70/48/416327048.db2.gz AZDWWHFKVXPFGZ-ZIAGYGMSSA-N 0 0 311.403 0.510 50 0 DCAARN Cc1cc(=O)[nH]c(SCC(=O)NCCc2ccnn2C)n1 ZINC000215651729 416327261 /nfs/dbraw/zinc/32/72/61/416327261.db2.gz MAJMYPBTVVDTRL-UHFFFAOYSA-N 0 0 307.379 0.263 50 0 DCAARN Cc1cc2nc(CNC(=O)C[C@H]3NC(=O)NC3=O)cn2c(C)c1 ZINC000216360538 416327508 /nfs/dbraw/zinc/32/75/08/416327508.db2.gz JWDYALTVMXDFCJ-LLVKDONJSA-N 0 0 315.333 0.165 50 0 DCAARN COC[C@H](C)NC(=O)Cn1nnc(Cc2ccc(C)cc2)n1 ZINC000240902833 416330015 /nfs/dbraw/zinc/33/00/15/416330015.db2.gz IVPXGQYVGSIDNK-LBPRGKRZSA-N 0 0 303.366 0.723 50 0 DCAARN CN(C)c1ccc(C(=O)N2CCOC[C@H]2c2nc[nH]n2)cn1 ZINC000240912297 416330152 /nfs/dbraw/zinc/33/01/52/416330152.db2.gz IXEQNYZXBCWUSF-NSHDSACASA-N 0 0 302.338 0.479 50 0 DCAARN CC[C@H](NC(=O)Cn1[nH]c2ccccc2c1=O)[C@H]1C[C@@H](O)C1 ZINC000244708263 416330652 /nfs/dbraw/zinc/33/06/52/416330652.db2.gz KQJJBOFSLPWDKM-LOWVWBTDSA-N 0 0 303.362 0.995 50 0 DCAARN COc1ccc([C@@H](NS(=O)(=O)N(C)C)[C@H]2C[C@@H](O)C2)cn1 ZINC000244719008 416330788 /nfs/dbraw/zinc/33/07/88/416330788.db2.gz LUXSOKBEYCDGSQ-NTZNESFSSA-N 0 0 315.395 0.298 50 0 DCAARN CCCN1C(=O)N[C@@H](CC(=O)NCCc2cccn2C)C1=O ZINC000244633719 416330795 /nfs/dbraw/zinc/33/07/95/416330795.db2.gz GIJKJQHGGSAJCS-LBPRGKRZSA-N 0 0 306.366 0.404 50 0 DCAARN Cc1nc(NCCc2noc(CO)n2)cc([C@H]2C[C@@H](O)C2)n1 ZINC000244763918 416330808 /nfs/dbraw/zinc/33/08/08/416330808.db2.gz OXXSRRSVLFGRSS-AOOOYVTPSA-N 0 0 305.338 0.553 50 0 DCAARN COc1cc(=O)n2c(c1C(=O)N1CCN(C)CC1)CCCCC2 ZINC000583648768 416479897 /nfs/dbraw/zinc/47/98/97/416479897.db2.gz JBLHPJLAEWFEIT-UHFFFAOYSA-N 0 0 319.405 0.971 50 0 DCAARN CCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)OCC ZINC000436332309 416554174 /nfs/dbraw/zinc/55/41/74/416554174.db2.gz HTPAXLRBFJQFFY-GHMZBOCLSA-N 0 0 305.396 0.611 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)C2(CO)CC2)C1 ZINC000585113621 416518186 /nfs/dbraw/zinc/51/81/86/416518186.db2.gz ZJHMZPDINHYADF-NEPJUHHUSA-N 0 0 318.439 0.325 50 0 DCAARN CC(C)(CCCO)CNS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000585115748 416519024 /nfs/dbraw/zinc/51/90/24/416519024.db2.gz QOHRMBQMJFAKJH-LBPRGKRZSA-N 0 0 318.439 0.468 50 0 DCAARN O=C(NC[C@@H](O)CN1CCOCC1)C1(Nc2ccccc2)CC1 ZINC000585130953 416519418 /nfs/dbraw/zinc/51/94/18/416519418.db2.gz GYJLRNLISSZJRZ-OAHLLOKOSA-N 0 0 319.405 0.440 50 0 DCAARN CNC(=O)[C@H]1CCC[C@@H]1Nc1ccn2c(C(=O)OC)cnc2n1 ZINC000585142446 416520021 /nfs/dbraw/zinc/52/00/21/416520021.db2.gz WQYRDWIEUAKLCY-UWVGGRQHSA-N 0 0 317.349 0.843 50 0 DCAARN COCCOc1cccc(C(=O)NCCn2cnccc2=O)c1 ZINC000585130488 416520396 /nfs/dbraw/zinc/52/03/96/416520396.db2.gz RPRQUPLNAGRQLR-UHFFFAOYSA-N 0 0 317.345 0.699 50 0 DCAARN C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1ccn2nnnc2c1 ZINC000614708054 416693784 /nfs/dbraw/zinc/69/37/84/416693784.db2.gz DCCROBMESAQOQA-CBAPKCEASA-N 0 0 315.255 0.916 50 0 DCAARN Cc1cc(N)ncc1-c1ccc(C(=O)NC(CO)CO)cc1 ZINC000426444948 416766165 /nfs/dbraw/zinc/76/61/65/416766165.db2.gz NAYOULJTDWTSCF-UHFFFAOYSA-N 0 0 301.346 0.722 50 0 DCAARN COCc1nc(NCCn2ccnc2)cc([C@@H]2CCOC2)n1 ZINC000426420311 416768411 /nfs/dbraw/zinc/76/84/11/416768411.db2.gz YPEMHIIYKBLQAD-GFCCVEGCSA-N 0 0 303.366 1.436 50 0 DCAARN CCNC(=O)[C@H](C)NC(=O)c1ccc(-c2cnc(N)nc2)cc1 ZINC000426549896 416774672 /nfs/dbraw/zinc/77/46/72/416774672.db2.gz IKOPRAMPAXKOQV-JTQLQIEISA-N 0 0 313.361 0.980 50 0 DCAARN CCNC(=O)[C@H](C)NS(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000519790816 416936700 /nfs/dbraw/zinc/93/67/00/416936700.db2.gz PHTCPJXCRSEZGS-JTQLQIEISA-N 0 0 320.411 0.164 50 0 DCAARN COC[C@]1(C)CN(C(=O)NCC[C@@]2(O)CCCOC2)CCO1 ZINC000624304486 417005113 /nfs/dbraw/zinc/00/51/13/417005113.db2.gz IBFVYTDFCYPSHW-GJZGRUSLSA-N 0 0 316.398 0.365 50 0 DCAARN Cc1cc(CS(=O)(=O)N[C@@H]2Cc3ccccc3NC2=O)no1 ZINC000528540041 417356269 /nfs/dbraw/zinc/35/62/69/417356269.db2.gz BUJZCHSNZYNITL-CYBMUJFWSA-N 0 0 321.358 0.966 50 0 DCAARN COCC(=O)Nc1ccc2c(c1)CN(S(C)(=O)=O)CCO2 ZINC000575541659 417539722 /nfs/dbraw/zinc/53/97/22/417539722.db2.gz UICUKRWMBGGNKX-UHFFFAOYSA-N 0 0 314.363 0.426 50 0 DCAARN COc1nc(CNC(=O)COc2ccc(F)cc2)nc(OC)n1 ZINC000575603162 417539945 /nfs/dbraw/zinc/53/99/45/417539945.db2.gz AQOWSLTXMQETSL-UHFFFAOYSA-N 0 0 322.296 0.723 50 0 DCAARN O=C(Cn1cncn1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575607024 417539993 /nfs/dbraw/zinc/53/99/93/417539993.db2.gz WRIDORADFKFDGD-LLVKDONJSA-N 0 0 322.756 0.792 50 0 DCAARN Cc1ccccc1OCC(=O)N1CC(CN2C(=O)COC2=O)C1 ZINC000575615526 417540916 /nfs/dbraw/zinc/54/09/16/417540916.db2.gz GABOOOFBDLODTA-UHFFFAOYSA-N 0 0 318.329 0.811 50 0 DCAARN O=C(CN1CC(=O)NC1=O)N1CCC(Cc2cccnc2)CC1 ZINC000362649617 262056503 /nfs/dbraw/zinc/05/65/03/262056503.db2.gz IEKZPDGOFCWXCR-UHFFFAOYSA-N 0 0 316.361 0.415 50 0 DCAARN NC(=O)[C@H]1CN(c2ncnc3sc4c(c32)CCCC4)CCN1 ZINC000057396056 274939603 /nfs/dbraw/zinc/93/96/03/274939603.db2.gz SZXFQHKQCKWWOZ-SNVBAGLBSA-N 0 0 317.418 0.834 50 0 DCAARN CC1=CC[C@@H]2CN(c3nc4c(c(=O)[nH]c(=O)n4C)n3C)C[C@@H]2C1 ZINC000071388758 275917583 /nfs/dbraw/zinc/91/75/83/275917583.db2.gz BXTWHRLJQYSDDJ-MNOVXSKESA-N 0 0 315.377 0.753 50 0 DCAARN CC(C)N1CCC[C@@H](n2cnc3c2c(=O)n(C)c(=O)n3C)C1=O ZINC000089885189 275947731 /nfs/dbraw/zinc/94/77/31/275947731.db2.gz MVWKDNRJXJPCIB-SNVBAGLBSA-N 0 0 319.365 0.006 50 0 DCAARN CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ncc[nH]1 ZINC000072148683 277324924 /nfs/dbraw/zinc/32/49/24/277324924.db2.gz GJVFOUWHKUCPEU-CYBMUJFWSA-N 0 0 319.409 0.525 50 0 DCAARN Cc1nn(C)c(N)c1C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000375032639 279197176 /nfs/dbraw/zinc/19/71/76/279197176.db2.gz WRKFCQRFYANLAE-ZDUSSCGKSA-N 0 0 313.361 0.624 50 0 DCAARN O=C(CCn1nnc2ccccc2c1=O)N1CCSCC1 ZINC000032091944 279761480 /nfs/dbraw/zinc/76/14/80/279761480.db2.gz ADAWJVAWUDYGLA-UHFFFAOYSA-N 0 0 304.375 0.757 50 0 DCAARN CC(C)[C@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000241401164 280432082 /nfs/dbraw/zinc/43/20/82/280432082.db2.gz NBQLCJOOTSPXOS-JHJVBQTASA-N 0 0 306.428 0.697 50 0 DCAARN C[C@@H]1NC(=O)[C@H]2CN(C(=O)NC3CCCCC3)CCN2C1=O ZINC000004260103 288844926 /nfs/dbraw/zinc/84/49/26/288844926.db2.gz FWEYHZMCEBGGBE-CMPLNLGQSA-N 0 0 308.382 0.060 50 0 DCAARN C[NH+](C)CCN(CC(=O)[O-])C(=O)Cc1ccc2c(c1)OCO2 ZINC000299751287 289133720 /nfs/dbraw/zinc/13/37/20/289133720.db2.gz QEFOOMSSNAUCSM-UHFFFAOYSA-N 0 0 308.334 0.433 50 0 DCAARN C[C@H](C(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)n1cccn1 ZINC000040520991 289354169 /nfs/dbraw/zinc/35/41/69/289354169.db2.gz QPJAJKFOCYWIJB-KFWWJZLASA-N 0 0 322.409 0.298 50 0 DCAARN COC[C@@H](C)S(=O)(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000069699305 292790377 /nfs/dbraw/zinc/79/03/77/292790377.db2.gz BBQOAYKTLMUJTJ-OLZOCXBDSA-N 0 0 308.444 0.298 50 0 DCAARN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCN1CCCCO1 ZINC000055132868 295164031 /nfs/dbraw/zinc/16/40/31/295164031.db2.gz JBNMYJPKXJCSFY-OAHLLOKOSA-N 0 0 317.389 0.843 50 0 DCAARN COc1cccc([C@H]2[C@H](NS(N)(=O)=O)CCN2C2CC2)c1 ZINC000179902111 295331049 /nfs/dbraw/zinc/33/10/49/295331049.db2.gz LQFMNAMRHRCFDC-KGLIPLIRSA-N 0 0 311.407 0.766 50 0 DCAARN C[C@H](C(=O)NCc1ccccc1Cn1ccnc1)S(C)(=O)=O ZINC000044951778 298166019 /nfs/dbraw/zinc/16/60/19/298166019.db2.gz FDIUZFYIQKBENL-GFCCVEGCSA-N 0 0 321.402 0.981 50 0 DCAARN Cc1cc(C)c2c(c1)N(C(=O)c1[nH]c(=O)[nH]c(=O)c1N)CCC2 ZINC000089582678 301208404 /nfs/dbraw/zinc/20/84/04/301208404.db2.gz VDIXAEVUORAJMA-UHFFFAOYSA-N 0 0 314.345 0.855 50 0 DCAARN Cc1ccc(N([C@H]2CCS(=O)(=O)C2)S(C)(=O)=O)cc1 ZINC000004078933 301621026 /nfs/dbraw/zinc/62/10/26/301621026.db2.gz IAOLTLJQNKWZCD-LBPRGKRZSA-N 0 0 303.405 0.948 50 0 DCAARN Cc1nn(C)c2ncnc(N3CCc4c(c(CO)nn4C)C3)c12 ZINC000072431393 302792484 /nfs/dbraw/zinc/79/24/84/302792484.db2.gz PJESTSWKTDSXGD-UHFFFAOYSA-N 0 0 313.365 0.460 50 0 DCAARN CC(C)(C(=O)N1CCN(S(N)(=O)=O)CC1)c1ccccc1 ZINC000040217738 331615041 /nfs/dbraw/zinc/61/50/41/331615041.db2.gz JNFOFTGDFMGCDA-UHFFFAOYSA-N 0 0 311.407 0.312 50 0 DCAARN COCCn1cnnc1CCNC(=O)N(C)Cc1c[nH]nc1C ZINC000534583115 334289928 /nfs/dbraw/zinc/28/99/28/334289928.db2.gz XZBNFZROVIBFIK-UHFFFAOYSA-N 0 0 321.385 0.340 50 0 DCAARN CN1CCO[C@@H](CNC(=O)c2ccccc2-n2cnnc2)C1 ZINC000534590846 334294304 /nfs/dbraw/zinc/29/43/04/334294304.db2.gz LPZZDBCETGDAAC-LBPRGKRZSA-N 0 0 301.350 0.328 50 0 DCAARN O=C(C[C@H]1NC(=O)c2ccccc21)NCC1(CO)CCOCC1 ZINC000534638485 334310300 /nfs/dbraw/zinc/31/03/00/334310300.db2.gz QSQXRNJFBSRWJQ-CQSZACIVSA-N 0 0 318.373 0.767 50 0 DCAARN Cn1ccnc1[C@H](NC(=O)NC1(C(N)=O)CCCC1)C1CC1 ZINC000534652050 334312254 /nfs/dbraw/zinc/31/22/54/334312254.db2.gz RSYFHWBLXRFINJ-LLVKDONJSA-N 0 0 305.382 0.969 50 0 DCAARN NC(=O)[C@@H]1CC=CC[C@H]1NS(=O)(=O)N1CCCCCC1 ZINC000534652312 334312531 /nfs/dbraw/zinc/31/25/31/334312531.db2.gz XBWRGQXNPNLFJS-VXGBXAGGSA-N 0 0 301.412 0.517 50 0 DCAARN C[C@H]1CNCCN1S(=O)(=O)CCOc1ccccc1F ZINC000534669297 334319684 /nfs/dbraw/zinc/31/96/84/334319684.db2.gz XOGYZRLDTKSLOI-NSHDSACASA-N 0 0 302.371 0.828 50 0 DCAARN COCC(=O)N1CCCN(C(=O)NCc2ccnc(C)c2)CC1 ZINC000534669735 334319937 /nfs/dbraw/zinc/31/99/37/334319937.db2.gz NMDZMBUHYPCKOW-UHFFFAOYSA-N 0 0 320.393 0.780 50 0 DCAARN COCC1(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)CC1 ZINC000575988906 341818779 /nfs/dbraw/zinc/81/87/79/341818779.db2.gz ROECEMKAXUOFHI-DCAQKATOSA-N 0 0 302.396 0.081 50 0 DCAARN CC(C)n1nccc1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000129479149 520089798 /nfs/dbraw/zinc/08/97/98/520089798.db2.gz CGVLFLZOBGSVOH-UHFFFAOYSA-N 0 0 316.365 0.687 50 0 DCAARN CCCS(=O)(=O)NC1CCN(C(=O)c2cccn2C)CC1 ZINC000121565716 520530131 /nfs/dbraw/zinc/53/01/31/520530131.db2.gz ZNZZNGNBSFUXAB-UHFFFAOYSA-N 0 0 313.423 0.959 50 0 DCAARN Cc1ccc(S(=O)(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1F ZINC000131484908 525575838 /nfs/dbraw/zinc/57/58/38/525575838.db2.gz CTHDBFLQUPSCSY-JOYOIKCWSA-N 0 0 316.354 0.445 50 0 DCAARN CCCN1CCCN(S(=O)(=O)c2cnn(C)c2C)CC1=O ZINC000331697324 528216967 /nfs/dbraw/zinc/21/69/67/528216967.db2.gz YQEDIXKITOQDGI-UHFFFAOYSA-N 0 0 314.411 0.362 50 0 DCAARN CN1C(=O)COc2cc(-c3noc(C(=O)NC4CC4)n3)ccc21 ZINC000065137927 536314646 /nfs/dbraw/zinc/31/46/46/536314646.db2.gz GXXBOYYPFHGRIH-UHFFFAOYSA-N 0 0 314.301 0.984 50 0 DCAARN COc1cccc2c1NC(=O)C[C@@H]2C(=O)NCCn1ccnn1 ZINC000426666989 536959132 /nfs/dbraw/zinc/95/91/32/536959132.db2.gz LZJCVENHGTZUMQ-NSHDSACASA-N 0 0 315.333 0.529 50 0 DCAARN O=C(Cn1nc(-c2ccco2)ccc1=O)NC[C@@H]1CCCO1 ZINC000015861085 545641774 /nfs/dbraw/zinc/64/17/74/545641774.db2.gz MGQBFWBYWBMEIX-NSHDSACASA-N 0 0 303.318 0.799 50 0 DCAARN Cc1cccc(CC(=O)N(C)C[C@H](O)CN2CCOCC2)c1 ZINC000083002100 545695638 /nfs/dbraw/zinc/69/56/38/545695638.db2.gz LLDGMYQHWJRPTL-INIZCTEOSA-N 0 0 306.406 0.689 50 0 DCAARN CCc1nnc([C@@H]2CN(CC(=O)Nc3nccs3)CCO2)[nH]1 ZINC000083830097 545698326 /nfs/dbraw/zinc/69/83/26/545698326.db2.gz ONVFHIHFJDLUKE-VIFPVBQESA-N 0 0 322.394 0.836 50 0 DCAARN CN(CC(=O)N1C[C@H](O)C[C@@H]1C1CCCCC1)S(C)(=O)=O ZINC000083857448 545698912 /nfs/dbraw/zinc/69/89/12/545698912.db2.gz LOCCZFJAGBPYDV-CHWSQXEVSA-N 0 0 318.439 0.420 50 0 DCAARN CC(C)(C)CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C ZINC000084169856 545699990 /nfs/dbraw/zinc/69/99/90/545699990.db2.gz JNMLZXHOVIJSLZ-VIFPVBQESA-N 0 0 301.387 0.917 50 0 DCAARN CN(CC(=O)NC[C@@H]1CCS(=O)(=O)C1)Cc1ccncc1 ZINC000215910660 545938676 /nfs/dbraw/zinc/93/86/76/545938676.db2.gz BGFGUQDQECPXEJ-ZDUSSCGKSA-N 0 0 311.407 0.064 50 0 DCAARN Cc1c[nH]c(C(=O)N[C@H]2C[C@H](c3nnc(CO)n3C3CC3)C2)n1 ZINC000222680431 545941318 /nfs/dbraw/zinc/94/13/18/545941318.db2.gz QWBJLJSWJAKUDK-AOOOYVTPSA-N 0 0 316.365 0.813 50 0 DCAARN Cn1nnnc1SCC(=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000238817210 545960482 /nfs/dbraw/zinc/96/04/82/545960482.db2.gz BTHVHFLLKRLIOO-SNVBAGLBSA-N 0 0 320.378 0.377 50 0 DCAARN CCOC(=O)/N=c1/snnc2c(C(=O)N3CCCC3)ncn21 ZINC000575442842 546298758 /nfs/dbraw/zinc/29/87/58/546298758.db2.gz GEFYYAHGENQBNQ-SDNWHVSQSA-N 0 0 322.350 0.479 50 0 DCAARN CCn1cc(S(=O)(=O)N(C)Cc2noc(C3CC3)n2)cn1 ZINC000670437746 547090359 /nfs/dbraw/zinc/09/03/59/547090359.db2.gz ZYJGWQYOACZSMY-UHFFFAOYSA-N 0 0 311.367 0.984 50 0 DCAARN Cc1cc(C)n(CC(=O)N[C@@H](C)c2nnc(N)s2)c(=O)n1 ZINC000670439391 547091463 /nfs/dbraw/zinc/09/14/63/547091463.db2.gz BLHLUUJNOPOBFE-QMMMGPOBSA-N 0 0 308.367 0.171 50 0 DCAARN Cc1nc(Cc2nc(CC(N)=O)nn2CC(C)(C)O)cs1 ZINC000670444252 547093861 /nfs/dbraw/zinc/09/38/61/547093861.db2.gz IYCHBZMSKSGVGB-UHFFFAOYSA-N 0 0 309.395 0.433 50 0 DCAARN CCc1nc(S(=O)(=O)N(C)CCCN2CCOCC2)c[nH]1 ZINC000670469159 547100559 /nfs/dbraw/zinc/10/05/59/547100559.db2.gz SZNKTUZGMYNFBV-UHFFFAOYSA-N 0 0 316.427 0.315 50 0 DCAARN CCO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCC(F)(F)C2)nn1 ZINC000685940051 548745558 /nfs/dbraw/zinc/74/55/58/548745558.db2.gz FHPXBJIJANAEIJ-GHMZBOCLSA-N 0 0 316.308 0.736 50 0 DCAARN Cc1ccc(CC(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)o1 ZINC000685941881 548746704 /nfs/dbraw/zinc/74/67/04/548746704.db2.gz CQLQCYBLAIZKLC-OUCADQQQSA-N 0 0 318.377 0.930 50 0 DCAARN CN(CC(=O)N(C)c1ccnc2c1CCCC2)S(C)(=O)=O ZINC000888096363 661173623 /nfs/dbraw/zinc/17/36/23/661173623.db2.gz CVJKVSDMTJECGM-UHFFFAOYSA-N 0 0 311.407 0.815 50 0 DCAARN CCO[C@H]1C[C@H](NC(=O)NN2CCCC2=O)C12CCOCC2 ZINC000888097247 661176464 /nfs/dbraw/zinc/17/64/64/661176464.db2.gz AGVOITLSTPJMPH-RYUDHWBXSA-N 0 0 311.382 0.797 50 0 DCAARN CC(C)C[C@@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)n1cccc1 ZINC000888105177 661219782 /nfs/dbraw/zinc/21/97/82/661219782.db2.gz YYEQNTFFQPWTAZ-FRRDWIJNSA-N 0 0 314.407 0.349 50 0 DCAARN Cc1ccc(S(=O)(=O)NCc2nc(N)nc(N(C)C)n2)cc1 ZINC000022016123 658753733 /nfs/dbraw/zinc/75/37/33/658753733.db2.gz JQSBYSXSZIQIET-UHFFFAOYSA-N 0 0 322.394 0.307 50 0 DCAARN COc1ccc(S(=O)(=O)N2CC[C@H](c3nnc[nH]3)C2)cc1 ZINC000585088803 661465197 /nfs/dbraw/zinc/46/51/97/661465197.db2.gz SRUDOPSOXIMGOH-JTQLQIEISA-N 0 0 308.363 0.992 50 0 DCAARN CC[C@H](C)CCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)NC ZINC000585088597 661465267 /nfs/dbraw/zinc/46/52/67/661465267.db2.gz HKMILXBDFSJBPG-NWDGAFQWSA-N 0 0 318.439 0.574 50 0 DCAARN COc1ncc(CN2CCC(C(=O)N3CCOCC3)CC2)cn1 ZINC000952968223 665833132 /nfs/dbraw/zinc/83/31/32/665833132.db2.gz KUSLWCVUWQXQTG-UHFFFAOYSA-N 0 0 320.393 0.556 50 0 DCAARN C[C@@H]1C[C@@H](NC(=O)NC[C@H](O)COc2ccccc2)C(=O)O1 ZINC000874435594 665174906 /nfs/dbraw/zinc/17/49/06/665174906.db2.gz YTSCUYHPSAFCRZ-NTZNESFSSA-N 0 0 308.334 0.430 50 0 DCAARN CCc1n[nH]c2c1CN(C(=O)CCSc1nnnn1C)CC2 ZINC000067947119 665381276 /nfs/dbraw/zinc/38/12/76/665381276.db2.gz GSRKIWGXXDFBII-UHFFFAOYSA-N 0 0 321.410 0.563 50 0 DCAARN Cc1cc(N)n(CC(=O)N[C@@H]2CC(=O)N(CC(C)(C)C)C2)n1 ZINC000012072452 666320664 /nfs/dbraw/zinc/32/06/64/666320664.db2.gz IWRLYXUQUXUBEK-LLVKDONJSA-N 0 0 307.398 0.537 50 0 DCAARN COC(=O)CCC(=O)N[C@@H]1CCCc2nc(N(C)C)ncc21 ZINC000012572926 666379166 /nfs/dbraw/zinc/37/91/66/666379166.db2.gz ONCIJHZFSBABTE-LLVKDONJSA-N 0 0 306.366 0.989 50 0 DCAARN CCC(=O)N1CCC(C(=O)NCCS(=O)(=O)CC)CC1 ZINC000952966866 685599164 /nfs/dbraw/zinc/59/91/64/685599164.db2.gz XHQPYTRILFBYPL-UHFFFAOYSA-N 0 0 304.412 0.186 50 0 DCAARN CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000952970524 685600175 /nfs/dbraw/zinc/60/01/75/685600175.db2.gz PGVCKLOXAVFADV-LLVKDONJSA-N 0 0 312.391 0.842 50 0 DCAARN COCCN1C[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3OC)CC1=O ZINC000952979885 685600959 /nfs/dbraw/zinc/60/09/59/685600959.db2.gz BBIALJMWVJUFMX-SFDCQRBFSA-N 0 0 310.394 0.365 50 0 DCAARN CCS(=O)(=O)N1CCC(CNC(=O)[C@H]2CC23CC3)CC1 ZINC000952978261 685600969 /nfs/dbraw/zinc/60/09/69/685600969.db2.gz XIIXGJZKESRNGD-GFCCVEGCSA-N 0 0 300.424 0.964 50 0 DCAARN CC(C)[C@H]1NC(=O)[C@H]2CN(C(=O)c3ccccc3)CCN2C1=O ZINC000014542339 685047827 /nfs/dbraw/zinc/04/78/27/685047827.db2.gz UBWYNHLWXVMUAH-ZIAGYGMSSA-N 0 0 315.373 0.494 50 0 DCAARN O=C1[C@H]2CCCN2C(=O)[C@H]2CN(Cc3cccs3)CCN12 ZINC000014535850 685048044 /nfs/dbraw/zinc/04/80/44/685048044.db2.gz PXFRZCHPSXLDPN-CHWSQXEVSA-N 0 0 305.403 0.766 50 0 DCAARN C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3Cl)CN2C1=O ZINC000014733411 685048282 /nfs/dbraw/zinc/04/82/82/685048282.db2.gz GNHGRIOKMASVLS-AUTRQRHGSA-N 0 0 321.764 0.558 50 0 DCAARN Cc1ccc(CN2CCN3C(=O)[C@@H](C)NC(=O)[C@H]3C2)cc1C ZINC000014542509 685048834 /nfs/dbraw/zinc/04/88/34/685048834.db2.gz ZVFMULGZCPAWJO-UKRRQHHQSA-N 0 0 301.390 0.835 50 0 DCAARN Cc1nonc1OCCNC(=O)[C@H]1Cc2ccccc2CN1C ZINC000065462820 685064055 /nfs/dbraw/zinc/06/40/55/685064055.db2.gz AEBMBKQSYAOPSK-CQSZACIVSA-N 0 0 316.361 0.930 50 0 DCAARN C[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccccc23)C[C@@H]1C(=O)[O-] ZINC000067833901 685071210 /nfs/dbraw/zinc/07/12/10/685071210.db2.gz FRHVSBONFUQOAE-CQSZACIVSA-N 0 0 301.346 0.938 50 0 DCAARN Cc1nc(CN2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)co1 ZINC000077357205 685080323 /nfs/dbraw/zinc/08/03/23/685080323.db2.gz ZWKBZAUOBZJAJS-HUUCEWRRSA-N 0 0 316.361 0.743 50 0 DCAARN Cc1nnc2n1C[C@@H](CNC(=O)c1cc(-c3ccccn3)n[nH]1)C2 ZINC001772704994 1157843337 /nfs/dbraw/zinc/84/33/37/1157843337.db2.gz ODXMGWZMVXYPQA-LLVKDONJSA-N 0 0 323.360 0.974 50 0 DCAARN COc1ccc(C(=O)[O-])cc1CN1C[C@@H]2C[NH2+]C[C@]2(CO)C1 ZINC001772710907 1157847653 /nfs/dbraw/zinc/84/76/53/1157847653.db2.gz UMKOOUMUMHWSBQ-XJKSGUPXSA-N 0 0 306.362 0.407 50 0 DCAARN Cc1ncc(C(=O)N2C[C@@H](Cc3ccccn3)[C@H](O)C2)c(=O)[nH]1 ZINC001704298476 1179964654 /nfs/dbraw/zinc/96/46/54/1179964654.db2.gz GEMDFDXVPBDCCJ-BXUZGUMPSA-N 0 0 314.345 0.561 50 0 DCAARN Cc1cc(=O)cc(C(=O)N(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)[nH]1 ZINC001704311652 1179970190 /nfs/dbraw/zinc/97/01/90/1179970190.db2.gz DZXSMRPLJRRZMW-GRYCIOLGSA-N 0 0 303.362 0.670 50 0 DCAARN CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1cc(C(C)(C)C)n[nH]1)C2 ZINC001704315814 1179970836 /nfs/dbraw/zinc/97/08/36/1179970836.db2.gz OMWKPUWPVSBWJZ-YPMHNXCESA-N 0 0 306.410 0.996 50 0 DCAARN OCCNc1cc(N[C@@H]2COC[C@H]2Cc2ccncc2)ncn1 ZINC001704339333 1179979402 /nfs/dbraw/zinc/97/94/02/1179979402.db2.gz IVJJEWNJBUBELA-ZIAGYGMSSA-N 0 0 315.377 0.945 50 0 DCAARN O=C(c1cncc(O)c1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704340045 1179979422 /nfs/dbraw/zinc/97/94/22/1179979422.db2.gz DWIGGLUDKOTOCX-BXUZGUMPSA-N 0 0 300.318 0.253 50 0 DCAARN CCNC(=O)c1ccc(N2Cc3nc(C)n(C)c(=O)c3C2)nc1 ZINC001704343561 1179980372 /nfs/dbraw/zinc/98/03/72/1179980372.db2.gz KEUNPVKTURHFEV-UHFFFAOYSA-N 0 0 313.361 0.754 50 0 DCAARN Cn1c2ccccc2cc(CN2CC[N@H+](C)[C@@H](C(=O)[O-])C2)c1=O ZINC001704355550 1179984605 /nfs/dbraw/zinc/98/46/05/1179984605.db2.gz QMRQKPQPDMAKHR-OAHLLOKOSA-N 0 0 315.373 0.739 50 0 DCAARN CN1C(=O)C(CC(=O)NCCN2CCOCC2)=C2CCCC[C@@H]21 ZINC000581793499 747691189 /nfs/dbraw/zinc/69/11/89/747691189.db2.gz BWJFUUOCZQSCFK-HNNXBMFYSA-N 0 0 321.421 0.536 50 0 DCAARN Cc1nnc([C@H]2CCN(C(=O)CCO)CCN2CC(C)C)[nH]1 ZINC000675013910 748026322 /nfs/dbraw/zinc/02/63/22/748026322.db2.gz RUNJQVZZZSLETJ-CYBMUJFWSA-N 0 0 309.414 0.727 50 0 DCAARN CO[C@H]1C[C@H]2CN(S(=O)(=O)c3ccccc3)[C@@H](C)C(=O)N2C1 ZINC000675016579 748027079 /nfs/dbraw/zinc/02/70/79/748027079.db2.gz FCGWBDNMXMEJCO-AVGNSLFASA-N 0 0 324.402 0.695 50 0 DCAARN CCCn1ncc(-c2nc(CC(N)=O)nn2CC(C)(C)O)c1C ZINC000823032819 758218976 /nfs/dbraw/zinc/21/89/76/758218976.db2.gz CHCAEQKCXCNWNH-UHFFFAOYSA-N 0 0 320.397 0.659 50 0 DCAARN CCO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1ccccc1F ZINC000823350080 758239847 /nfs/dbraw/zinc/23/98/47/758239847.db2.gz PCFXWQGXCSRBNQ-RYUDHWBXSA-N 0 0 302.371 0.823 50 0 DCAARN CCn1cc(S(=O)(=O)N[C@H](C)c2nnc(N)s2)c(C)n1 ZINC000823592567 758252678 /nfs/dbraw/zinc/25/26/78/758252678.db2.gz PTHGFFBITAYWAS-SSDOTTSWSA-N 0 0 316.412 0.685 50 0 DCAARN NC(=O)Cc1nnc(Cc2cc3c(cc2Cl)OCCO3)[nH]1 ZINC000826842083 758845726 /nfs/dbraw/zinc/84/57/26/758845726.db2.gz JWDUVHAWAHHWAQ-UHFFFAOYSA-N 0 0 308.725 0.848 50 0 DCAARN Cc1cc(C)n(CC(=O)N2CCC[C@H](c3nnc[nH]3)C2)c(=O)n1 ZINC000827928189 758902316 /nfs/dbraw/zinc/90/23/16/758902316.db2.gz SLBLYZYYEXUSOY-LBPRGKRZSA-N 0 0 316.365 0.384 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CC=CC[C@H]1C(N)=O ZINC000828034690 758918598 /nfs/dbraw/zinc/91/85/98/758918598.db2.gz PFWKWHNQTFVYID-ZIAGYGMSSA-N 0 0 304.394 0.906 50 0 DCAARN Cc1nc[nH]c1C(=O)NC[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC000828132047 758931265 /nfs/dbraw/zinc/93/12/65/758931265.db2.gz YNUOBOBZQOJNKC-JTQLQIEISA-N 0 0 317.353 0.118 50 0 DCAARN O=C(CSc1ncccn1)NCC[N@H+]1CCCC[C@H]1CO ZINC000828710828 759072174 /nfs/dbraw/zinc/07/21/74/759072174.db2.gz KWNGRLAOQYODGK-LBPRGKRZSA-N 0 0 310.423 0.532 50 0 DCAARN NC(=O)Cc1nc([C@@H](O)c2ccccc2Cl)n(CCO)n1 ZINC000828777015 759093597 /nfs/dbraw/zinc/09/35/97/759093597.db2.gz REPDKBSDPSIPEH-LBPRGKRZSA-N 0 0 310.741 0.033 50 0 DCAARN CS(=O)(=O)N1CC[C@H](c2nc(CCOCC3CC3)no2)C1 ZINC000581798465 760250996 /nfs/dbraw/zinc/25/09/96/760250996.db2.gz IQJOGXULCMAIKG-NSHDSACASA-N 0 0 315.395 0.788 50 0 DCAARN CCOC(=O)CN(C)C1CN(C(=O)CCc2ccncc2)C1 ZINC000584908719 766238193 /nfs/dbraw/zinc/23/81/93/766238193.db2.gz JNYWMTWVZMUQPG-UHFFFAOYSA-N 0 0 305.378 0.720 50 0 DCAARN CN(C)c1ccc(S(=O)(=O)N(C)Cc2ncnn2C)cn1 ZINC000585082805 766268633 /nfs/dbraw/zinc/26/86/33/766268633.db2.gz MRQSAVITRZGOET-UHFFFAOYSA-N 0 0 310.383 0.097 50 0 DCAARN O=C(CCN1CCOCC1)N1CC[C@H](Cc2ccc(=O)[nH]c2)C1 ZINC000219564973 766270510 /nfs/dbraw/zinc/27/05/10/766270510.db2.gz LOJVRHBEAFYHJG-OAHLLOKOSA-N 0 0 319.405 0.488 50 0 DCAARN Cc1cc(C)cc(OS(=O)(=O)CCS(=O)(=O)N(C)C)c1 ZINC000585086213 766271904 /nfs/dbraw/zinc/27/19/04/766271904.db2.gz FYFJBASLAVEWAL-UHFFFAOYSA-N 0 0 321.420 0.903 50 0 DCAARN Cn1ncc2c1nc(NCC[S@@](=O)C(F)(F)F)[nH]c2=O ZINC000585092778 766278210 /nfs/dbraw/zinc/27/82/10/766278210.db2.gz NGWPXDTVTNRPJB-FQEVSTJZSA-N 0 0 309.273 0.749 50 0 DCAARN Cc1nc(Cl)cc(NC2CCN(S(N)(=O)=O)CC2)n1 ZINC000585118054 766285689 /nfs/dbraw/zinc/28/56/89/766285689.db2.gz XSMSUKMIAKWGJL-UHFFFAOYSA-N 0 0 305.791 0.518 50 0 DCAARN CN1C(=O)[C@H](O)[C@H](C(=O)NCCCCO)[C@H]1c1ccccc1 ZINC000585121245 766286338 /nfs/dbraw/zinc/28/63/38/766286338.db2.gz JRRGIRACLOVDBB-MGPQQGTHSA-N 0 0 306.362 0.066 50 0 DCAARN COc1ncc(CCNc2ccc3nnc(C(F)F)n3n2)cn1 ZINC000585123393 766287726 /nfs/dbraw/zinc/28/77/26/766287726.db2.gz ZKAANLJZOBYXRV-UHFFFAOYSA-N 0 0 321.291 1.515 50 0 DCAARN C[C@@H]1CO[C@@](NC(=O)COC[C@H]2CCCO2)(C(F)(F)F)O1 ZINC000585124936 766288110 /nfs/dbraw/zinc/28/81/10/766288110.db2.gz ANHUEPWMJVTWHU-LNLATYFQSA-N 0 0 313.272 0.950 50 0 DCAARN CCn1nnnc1NC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000585124910 766288240 /nfs/dbraw/zinc/28/82/40/766288240.db2.gz ZQBLUXQGEKAIFG-UHFFFAOYSA-N 0 0 321.385 0.559 50 0 DCAARN Cc1nnc(CN2CCC(CNC(=O)c3cnccn3)CC2)[nH]1 ZINC000952862656 768922262 /nfs/dbraw/zinc/92/22/62/768922262.db2.gz PHFPUPOXTNIRDU-UHFFFAOYSA-N 0 0 315.381 0.545 50 0 DCAARN Cc1onc(N)c1S(=O)(=O)NCCn1ccnc1C(C)C ZINC000952880071 768944635 /nfs/dbraw/zinc/94/46/35/768944635.db2.gz MSRTZLZHBBVIDK-UHFFFAOYSA-N 0 0 313.383 0.864 50 0 DCAARN COCc1cc(=O)[nH]c(N2CC[C@@H](NC(=O)OCCF)C2)n1 ZINC000952880562 768947209 /nfs/dbraw/zinc/94/72/09/768947209.db2.gz OSOTYGVWUNIWBK-SECBINFHSA-N 0 0 314.317 0.603 50 0 DCAARN O=C(c1ccncc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000238949864 769756146 /nfs/dbraw/zinc/75/61/46/769756146.db2.gz WUAPFXPKOPKOAA-OKILXGFUSA-N 0 0 311.341 0.857 50 0 DCAARN O=C(CCCn1cncn1)N1CCCN(Cc2ncc[nH]2)CC1 ZINC001529099550 1014494585 /nfs/dbraw/zinc/49/45/85/1014494585.db2.gz BIQFWIFYJAGYDQ-UHFFFAOYSA-N 0 0 317.397 0.516 50 0 DCAARN O=C(Cn1cccn1)N1CCO[C@H](CO)[C@H]1c1ccccc1 ZINC001529151768 1014507798 /nfs/dbraw/zinc/50/77/98/1014507798.db2.gz DYPUOHUGQSOVSO-GDBMZVCRSA-N 0 0 301.346 0.844 50 0 DCAARN Cc1cc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)n(C)n1 ZINC001529174334 1014513122 /nfs/dbraw/zinc/51/31/22/1014513122.db2.gz UDUORRCZQIZQQL-BXUZGUMPSA-N 0 0 301.350 0.194 50 0 DCAARN CSCC[C@H](NC(C)=O)C(=O)Nc1cnn2c1NCCC2 ZINC001506407840 1017257923 /nfs/dbraw/zinc/25/79/23/1017257923.db2.gz YZVCAWLQLYTJIB-JTQLQIEISA-N 0 0 311.411 0.895 50 0 DCAARN Nc1ncc(/C=C/C(=O)N2CCC(N3CCCC3=O)CC2)cn1 ZINC001506412848 1017260329 /nfs/dbraw/zinc/26/03/29/1017260329.db2.gz FHHCKCBCYMOLMM-ONEGZZNKSA-N 0 0 315.377 0.685 50 0 DCAARN CC(=O)NCCC1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC001506419775 1017266853 /nfs/dbraw/zinc/26/68/53/1017266853.db2.gz WVNDNKQDKHBGQH-UHFFFAOYSA-N 0 0 317.455 0.955 50 0 DCAARN COC[C@@H]1CCCN(S(=O)(=O)NCc2c(C)noc2C)C1 ZINC001506423942 1017267388 /nfs/dbraw/zinc/26/73/88/1017267388.db2.gz YRZOPLPFINNAKU-GFCCVEGCSA-N 0 0 317.411 0.984 50 0 DCAARN CN1C(=O)[C@@H]2CCC[C@H]1CN(S(=O)(=O)N1CCCCC1)C2 ZINC001506427640 1017269678 /nfs/dbraw/zinc/26/96/78/1017269678.db2.gz ONHARFMHZKVWFQ-OLZOCXBDSA-N 0 0 315.439 0.660 50 0 DCAARN COCCn1cc(C(=O)NCC(=O)OC)c2ccccc2c1=O ZINC000095475738 185373283 /nfs/dbraw/zinc/37/32/83/185373283.db2.gz GRZUNTXJTFRLEV-UHFFFAOYSA-N 0 0 318.329 0.551 50 0 DCAARN CN(CCCn1cccn1)C(=O)CN1C(=O)OC(C)(C)C1=O ZINC000095519066 185377016 /nfs/dbraw/zinc/37/70/16/185377016.db2.gz CQLJRJQKPALYNB-UHFFFAOYSA-N 0 0 308.338 0.489 50 0 DCAARN NC(=O)c1cccc(S(=O)(=O)N2CCCn3nccc32)c1 ZINC000225393920 201700151 /nfs/dbraw/zinc/70/01/51/201700151.db2.gz DEUUNGIAZVENRZ-UHFFFAOYSA-N 0 0 306.347 0.581 50 0 DCAARN CC(C)[C@@H]1CN(C(=O)Cc2cnccn2)C[C@H]1NC(=O)N(C)C ZINC000095527840 185378359 /nfs/dbraw/zinc/37/83/59/185378359.db2.gz BSESWHCEWLGVEO-UONOGXRCSA-N 0 0 319.409 0.773 50 0 DCAARN C[C@H](CCc1ccccc1)NC(=O)c1cc(=O)n(C)c(=O)n1C ZINC000095531060 185378738 /nfs/dbraw/zinc/37/87/38/185378738.db2.gz QFDDVYSHZZQJAV-GFCCVEGCSA-N 0 0 315.373 0.835 50 0 DCAARN COc1ccccc1N1CC[C@@H](NC(=O)Cc2cc[nH]n2)C1=O ZINC000163796196 197649641 /nfs/dbraw/zinc/64/96/41/197649641.db2.gz OTDNZRVSKJYILV-GFCCVEGCSA-N 0 0 314.345 0.883 50 0 DCAARN COc1ccc(CCN2C(=O)C[C@H](N3CCOCC3)C2=O)cc1 ZINC000096902012 185390482 /nfs/dbraw/zinc/39/04/82/185390482.db2.gz QRTKTQKGVNZUCE-HNNXBMFYSA-N 0 0 318.373 0.697 50 0 DCAARN O=C(NCCn1ccnc1)C(=O)Nc1cccc2nonc21 ZINC000328596622 231235787 /nfs/dbraw/zinc/23/57/87/231235787.db2.gz JDIWTVOZEIDQRQ-UHFFFAOYSA-N 0 0 300.278 0.174 50 0 DCAARN CC[C@]1(O)CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000332628459 529438587 /nfs/dbraw/zinc/43/85/87/529438587.db2.gz GLMFLSZQIMXPJA-SKDRFNHKSA-N 0 0 308.300 0.771 50 0 DCAARN CC(=O)N[C@H]1CCCN(C(=O)NCc2ccnc(N(C)C)c2)C1 ZINC000089954659 185271355 /nfs/dbraw/zinc/27/13/55/185271355.db2.gz GYRJFXQRKXDVCO-AWEZNQCLSA-N 0 0 319.409 0.958 50 0 DCAARN Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)C2 ZINC000090168743 185284729 /nfs/dbraw/zinc/28/47/29/185284729.db2.gz DUICLIVZXBLDJI-GFCCVEGCSA-N 0 0 323.422 0.835 50 0 DCAARN [NH3+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)CCc2nc(-c3ccco3)no2)C1 ZINC000082083453 192354270 /nfs/dbraw/zinc/35/42/70/192354270.db2.gz RKLLDIXEHWGSNI-IUCAKERBSA-N 0 0 320.305 0.275 50 0 DCAARN Cc1ncsc1CCC(=O)N1CCc2n[nH]c(C(N)=O)c2C1 ZINC000082106851 192356571 /nfs/dbraw/zinc/35/65/71/192356571.db2.gz KFEPXVNTFVGXCH-UHFFFAOYSA-N 0 0 319.390 0.791 50 0 DCAARN O=C(CCn1cc(Cl)cn1)N1CC[C@@]2(CC(=O)NC2=O)C1 ZINC000082138865 192360354 /nfs/dbraw/zinc/36/03/54/192360354.db2.gz YPCSAECLXYHGRI-CYBMUJFWSA-N 0 0 310.741 0.192 50 0 DCAARN O=C(CCn1ncc(N2CCOCC2)cc1=O)N1CCCC1 ZINC000095392754 185351762 /nfs/dbraw/zinc/35/17/62/185351762.db2.gz BKZBMUSIKOLJGE-UHFFFAOYSA-N 0 0 306.366 0.092 50 0 DCAARN CCO[C@@H]1C[C@@H](O)C12CCN(c1nccn3cnnc13)CC2 ZINC000095404357 185355536 /nfs/dbraw/zinc/35/55/36/185355536.db2.gz RROWUFNPGAOMKT-VXGBXAGGSA-N 0 0 303.366 0.881 50 0 DCAARN Cc1nn(C)c2c1nc(C)nc2N1CCN(S(C)(=O)=O)CC1 ZINC000028559363 282277851 /nfs/dbraw/zinc/27/78/51/282277851.db2.gz BTTYFJXALBFICK-UHFFFAOYSA-N 0 0 324.410 0.062 50 0 DCAARN C[C@@H](C1CC1)N(C)C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000095452054 185369307 /nfs/dbraw/zinc/36/93/07/185369307.db2.gz WLRXEPQDWXSLPJ-JTQLQIEISA-N 0 0 313.398 0.884 50 0 DCAARN NC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccccc1F ZINC000095461747 185370905 /nfs/dbraw/zinc/37/09/05/185370905.db2.gz PTDOYEUOMVGEDT-SECBINFHSA-N 0 0 304.368 0.417 50 0 DCAARN O=C(NC[C@]1(O)CCOC1)c1ccc(Br)cn1 ZINC000097021463 185398429 /nfs/dbraw/zinc/39/84/29/185398429.db2.gz ZDWOKXIGECKQIH-LLVKDONJSA-N 0 0 301.140 0.725 50 0 DCAARN CN(C[C@H]1CCCN(c2ncc(F)cn2)C1)S(C)(=O)=O ZINC000286645845 219101508 /nfs/dbraw/zinc/10/15/08/219101508.db2.gz UHCVMEYGVGFXNV-SNVBAGLBSA-N 0 0 302.375 0.724 50 0 DCAARN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCOCC1 ZINC000025501791 190651272 /nfs/dbraw/zinc/65/12/72/190651272.db2.gz VCOOXUNRMMEHJH-CHWSQXEVSA-N 0 0 306.362 0.663 50 0 DCAARN CN(CC(=O)N1CCN(C)Cc2ccccc21)S(C)(=O)=O ZINC000103410989 185450166 /nfs/dbraw/zinc/45/01/66/185450166.db2.gz MDMNPWKNKZVVAJ-UHFFFAOYSA-N 0 0 311.407 0.356 50 0 DCAARN COCCN1C[C@@H](C(=O)NC[C@@H]2Cc3ccccc3O2)CC1=O ZINC000046277570 190674773 /nfs/dbraw/zinc/67/47/73/190674773.db2.gz DBJZYGUZOKSUPI-KBPBESRZSA-N 0 0 318.373 0.601 50 0 DCAARN COCC[C@H]1COCCN1C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC000330916738 232161102 /nfs/dbraw/zinc/16/11/02/232161102.db2.gz LCZFODLVSOGQCK-NEPJUHHUSA-N 0 0 300.399 0.801 50 0 DCAARN Cc1nc(CC(=O)N2CCn3c(C(N)=O)cnc3C2)c(C)s1 ZINC000067774991 190720763 /nfs/dbraw/zinc/72/07/63/190720763.db2.gz NMIHUXCJPYDOTL-UHFFFAOYSA-N 0 0 319.390 0.640 50 0 DCAARN CN1CCC[C@]2(CCN(C(=O)C(=O)c3cccnc3)C2)C1=O ZINC000067967039 190740047 /nfs/dbraw/zinc/74/00/47/190740047.db2.gz XCEQKYZYHASJMD-MRXNPFEDSA-N 0 0 301.346 0.735 50 0 DCAARN COc1ccc(OC)c(-n2ccc3c(nnc4ncnn43)c2=O)c1 ZINC000071384946 190963914 /nfs/dbraw/zinc/96/39/14/190963914.db2.gz YSJCSRKERHZRRH-UHFFFAOYSA-N 0 0 324.300 0.841 50 0 DCAARN O=C(c1cn2ccsc2n1)N1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000071750929 191022407 /nfs/dbraw/zinc/02/24/07/191022407.db2.gz DZIBRUCXKHJHNH-CDJYRKNRSA-N 0 0 307.375 0.600 50 0 DCAARN NC(=O)CN1CCCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000071829405 191031216 /nfs/dbraw/zinc/03/12/16/191031216.db2.gz HBBYHCPBRSPWED-UHFFFAOYSA-N 0 0 309.797 0.902 50 0 DCAARN O=C(c1cc(=O)[nH]c2ccccc21)N1CCc2c(nc[nH]c2=O)C1 ZINC000072137067 191046761 /nfs/dbraw/zinc/04/67/61/191046761.db2.gz HGBANYQWIYKZLB-UHFFFAOYSA-N 0 0 322.324 0.810 50 0 DCAARN Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CCCc1cn[nH]c1)C2 ZINC000072142065 191049480 /nfs/dbraw/zinc/04/94/80/191049480.db2.gz RMKVPCDSJDOCGR-UHFFFAOYSA-N 0 0 301.350 0.709 50 0 DCAARN CN1C[C@@]2(CCN(CC(=O)NCc3ccccc3)C2)OC1=O ZINC000072143942 191051510 /nfs/dbraw/zinc/05/15/10/191051510.db2.gz KMKJNSCUUJJRRE-MRXNPFEDSA-N 0 0 303.362 0.829 50 0 DCAARN Cc1sc2[nH]c(CCNC(=O)c3cn[nH]n3)nc(=O)c2c1C ZINC000072145000 191052185 /nfs/dbraw/zinc/05/21/85/191052185.db2.gz LLXOUOBZZJFBSM-UHFFFAOYSA-N 0 0 318.362 0.692 50 0 DCAARN CN1C[C@@]2(CCN(C(=O)CCc3csc(N)n3)C2)OC1=O ZINC000072148063 191054614 /nfs/dbraw/zinc/05/46/14/191054614.db2.gz RRFOJXUNGFKLBB-CYBMUJFWSA-N 0 0 310.379 0.711 50 0 DCAARN Cc1cc(C(=O)N2CCc3c(nc[nH]c3=O)C2)c(=O)n(C)c1C ZINC000072152819 191057671 /nfs/dbraw/zinc/05/76/71/191057671.db2.gz KWYWZTKYHRCJKW-UHFFFAOYSA-N 0 0 314.345 0.284 50 0 DCAARN O=C(NCc1ccncc1)[C@@H]1CN(c2ncc(F)cn2)CCN1 ZINC000072154149 191058761 /nfs/dbraw/zinc/05/87/61/191058761.db2.gz WRHYUIJRHNYWOT-ZDUSSCGKSA-N 0 0 316.340 0.105 50 0 DCAARN CN1C[C@@]2(CCN(C(=O)Cc3cn4ccsc4n3)C2)OC1=O ZINC000072165452 191064971 /nfs/dbraw/zinc/06/49/71/191064971.db2.gz XVVMBUFSCXLITN-CQSZACIVSA-N 0 0 320.374 0.991 50 0 DCAARN O=Cc1cn(-c2ccccc2)nc1S(=O)(=O)N1CCOCC1 ZINC000072193617 191072980 /nfs/dbraw/zinc/07/29/80/191072980.db2.gz APMDZDUNUKLUAA-UHFFFAOYSA-N 0 0 321.358 0.706 50 0 DCAARN COCCS(=O)(=O)NCCOc1ccc2c(c1)OCO2 ZINC000072230523 191077797 /nfs/dbraw/zinc/07/77/97/191077797.db2.gz WCQSQPMLFXHBRU-UHFFFAOYSA-N 0 0 303.336 0.360 50 0 DCAARN COCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1F ZINC000072241629 191084894 /nfs/dbraw/zinc/08/48/94/191084894.db2.gz ZPEDXUCKEZKQPU-LSDHHAIUSA-N 0 0 324.352 0.877 50 0 DCAARN CC(C)c1nnc2n1CCN(CCCS(=O)(=O)N(C)C)C2 ZINC000072253027 191087326 /nfs/dbraw/zinc/08/73/26/191087326.db2.gz RZUJBYPFKMRSBA-UHFFFAOYSA-N 0 0 315.443 0.499 50 0 DCAARN CN(C)c1cc(C(F)(F)F)nc(-n2cnnc2[S@@](C)=O)n1 ZINC000072284938 191103793 /nfs/dbraw/zinc/10/37/93/191103793.db2.gz CMGVOAQHNXJJSV-NRFANRHFSA-N 0 0 320.300 0.880 50 0 DCAARN C[S@](=O)C1(CNC(=O)c2cn(-c3ccccc3)nn2)CC1 ZINC000225673276 186288404 /nfs/dbraw/zinc/28/84/04/186288404.db2.gz ZNFXHXPRBIHLOC-NRFANRHFSA-N 0 0 304.375 0.908 50 0 DCAARN O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCOCC1 ZINC000253394908 186304461 /nfs/dbraw/zinc/30/44/61/186304461.db2.gz VMFPKEFOFLBSDW-CYBMUJFWSA-N 0 0 317.345 0.560 50 0 DCAARN COc1ccc(OC[C@H]2CCCN(C(=O)CNC(N)=O)C2)cc1 ZINC000072411432 191154554 /nfs/dbraw/zinc/15/45/54/191154554.db2.gz FJZVSLQOUFHDGJ-LBPRGKRZSA-N 0 0 321.377 0.981 50 0 DCAARN Cn1c(CCNC(=O)[C@@H]2NCCc3nc[nH]c32)nc2ccccc21 ZINC000072436084 191166467 /nfs/dbraw/zinc/16/64/67/191166467.db2.gz MGIUMDRDEDZDEJ-MRXNPFEDSA-N 0 0 324.388 0.842 50 0 DCAARN CC(C)(C)C(=O)NCCNc1cc(N2CCOCC2)ncn1 ZINC000072442067 191167911 /nfs/dbraw/zinc/16/79/11/191167911.db2.gz VDUMONQDKRJMCY-UHFFFAOYSA-N 0 0 307.398 0.887 50 0 DCAARN CCc1nnc(SCC(=O)N2C[C@H]3CC[C@@H](C2)C(=O)N3C)o1 ZINC000072462789 191172616 /nfs/dbraw/zinc/17/26/16/191172616.db2.gz ITPBKIPHRLECLM-VHSXEESVSA-N 0 0 324.406 0.803 50 0 DCAARN Cn1nnc(NC(=O)COc2ccc(Br)cc2)n1 ZINC000000558068 180821545 /nfs/dbraw/zinc/82/15/45/180821545.db2.gz OOCHIUFTCRRGTO-UHFFFAOYSA-N 0 0 312.127 0.990 50 0 DCAARN COC(=O)CNC(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000002331952 180919971 /nfs/dbraw/zinc/91/99/71/180919971.db2.gz MAFOIRUZLLYHIL-UHFFFAOYSA-N 0 0 314.301 0.089 50 0 DCAARN CCOc1ccc(CC(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000002711312 180948490 /nfs/dbraw/zinc/94/84/90/180948490.db2.gz ILNZZALJVKFJJQ-UHFFFAOYSA-N 0 0 317.345 0.664 50 0 DCAARN CCn1c(=O)c2c(=O)cc(N)[nH]c2n(Cc2ccccc2)c1=O ZINC000003886202 181052133 /nfs/dbraw/zinc/05/21/33/181052133.db2.gz CZPYMWWBKWCSGA-UHFFFAOYSA-N 0 0 312.329 0.502 50 0 DCAARN COCCNC(=O)CSc1nnc2[nH]c(=O)c(C)c(C)n21 ZINC000004250454 181087857 /nfs/dbraw/zinc/08/78/57/181087857.db2.gz JEWYVUAGMYQXSI-UHFFFAOYSA-N 0 0 311.367 0.301 50 0 DCAARN CCOc1ccc(NC(=O)CSc2nncc(=O)n2N)cc1 ZINC000004338123 181099896 /nfs/dbraw/zinc/09/98/96/181099896.db2.gz WDLOAZRRNZIROR-UHFFFAOYSA-N 0 0 321.362 0.482 50 0 DCAARN Cc1ccc(N2C[C@@H](NC(=O)N(CCO)CCO)CC2=O)cc1 ZINC000004359953 181102559 /nfs/dbraw/zinc/10/25/59/181102559.db2.gz SXYBXRLQOFIWBZ-ZDUSSCGKSA-N 0 0 321.377 0.097 50 0 DCAARN O=C1NCCCC[C@H]1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000004389327 181105880 /nfs/dbraw/zinc/10/58/80/181105880.db2.gz VAZGFYORUIPHTC-LLVKDONJSA-N 0 0 304.318 0.912 50 0 DCAARN Cn1c2cn(CC(N)=O)c(-c3ccccc3)c2c(=O)n(C)c1=O ZINC000004502942 181116415 /nfs/dbraw/zinc/11/64/15/181116415.db2.gz ZDTOJROOYUZFEH-UHFFFAOYSA-N 0 0 312.329 0.191 50 0 DCAARN Cn1c2ccc(NC(=O)CSc3nc[nH]n3)cc2n(C)c1=O ZINC000004511280 181117500 /nfs/dbraw/zinc/11/75/00/181117500.db2.gz KEWSWMKBTKQYNX-UHFFFAOYSA-N 0 0 318.362 0.726 50 0 DCAARN O=C(NCc1ccc2c(c1)OCO2)C(=S)N1CCOCC1 ZINC000004825161 181157241 /nfs/dbraw/zinc/15/72/41/181157241.db2.gz JUFLJFFOTDZEKB-UHFFFAOYSA-N 0 0 308.359 0.691 50 0 DCAARN O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)NC1CCCC1 ZINC000075155745 191434240 /nfs/dbraw/zinc/43/42/40/191434240.db2.gz WMRGJRQHECCPPB-KRWDZBQOSA-N 0 0 302.374 0.995 50 0 DCAARN O=C(CCCN1C(=O)c2ccccc2C1=O)O[C@@H]1CCOC1=O ZINC000005020688 181191680 /nfs/dbraw/zinc/19/16/80/181191680.db2.gz SHTUYJIZJVHBJE-GFCCVEGCSA-N 0 0 317.297 0.922 50 0 DCAARN CC(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cnn(C)c1 ZINC000077338554 191695109 /nfs/dbraw/zinc/69/51/09/191695109.db2.gz SRJNZKVVJLXDMM-LBPRGKRZSA-N 0 0 314.411 0.490 50 0 DCAARN COc1cccc(NC(=O)C(=O)NCCCN2CCCC2=O)c1 ZINC000005184160 181214588 /nfs/dbraw/zinc/21/45/88/181214588.db2.gz KFAVJOKDFXSRHD-UHFFFAOYSA-N 0 0 319.361 0.762 50 0 DCAARN O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1CCOCC1 ZINC000005399425 181239289 /nfs/dbraw/zinc/23/92/89/181239289.db2.gz DYOOJZKKWGMALR-UHFFFAOYSA-N 0 0 317.320 0.908 50 0 DCAARN COCCNC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000005543976 181255510 /nfs/dbraw/zinc/25/55/10/181255510.db2.gz CLUSBYPYMJDIMO-UHFFFAOYSA-N 0 0 300.380 0.524 50 0 DCAARN COc1cc(-c2cnnn2-c2nonc2N)cc(OC)c1OC ZINC000085408825 192501975 /nfs/dbraw/zinc/50/19/75/192501975.db2.gz RLVVIXCUDGZSGN-UHFFFAOYSA-N 0 0 318.293 0.925 50 0 DCAARN Cc1cc(NC(=O)C2CCN(c3ccc(=O)n(C)n3)CC2)on1 ZINC000085470926 192510835 /nfs/dbraw/zinc/51/08/35/192510835.db2.gz CHPCBJUZCLWDHH-UHFFFAOYSA-N 0 0 317.349 0.932 50 0 DCAARN O=C([O-])CC[C@@H]1CN(Cc2ncc[nH]2)CC[C@@H]1[NH+]1CCOCC1 ZINC000091694464 304060737 /nfs/dbraw/zinc/06/07/37/304060737.db2.gz RAWBPWANDLEDTE-KGLIPLIRSA-N 0 0 322.409 0.797 50 0 DCAARN Cc1cc(NC(=O)CSCC(=O)NC2CCOCC2)no1 ZINC000089606738 192826101 /nfs/dbraw/zinc/82/61/01/192826101.db2.gz LJWXLRXETQCBIE-UHFFFAOYSA-N 0 0 313.379 0.950 50 0 DCAARN COCCn1ccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)n1 ZINC000188069866 200189425 /nfs/dbraw/zinc/18/94/25/200189425.db2.gz ZJWVAKURCPXHQB-ZDUSSCGKSA-N 0 0 315.377 0.933 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000042502322 296008138 /nfs/dbraw/zinc/00/81/38/296008138.db2.gz PNGGJRLKWUQPMF-NWDGAFQWSA-N 0 0 314.411 0.202 50 0 DCAARN NS(=O)(=O)CCNC(=O)Cc1cccc(Cl)c1Cl ZINC000192986100 200972595 /nfs/dbraw/zinc/97/25/95/200972595.db2.gz VGKSKRUNDBOZDK-UHFFFAOYSA-N 0 0 311.190 0.941 50 0 DCAARN C[C@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000006508451 181347207 /nfs/dbraw/zinc/34/72/07/181347207.db2.gz IYIHODJVDWDJSR-VIFPVBQESA-N 0 0 305.334 0.714 50 0 DCAARN C[C@H]1OCCN(C(=O)CCNC(=O)OC(C)(C)C)[C@@H]1C(N)=O ZINC000408516328 239271935 /nfs/dbraw/zinc/27/19/35/239271935.db2.gz HWFNVSIWAREXQV-KOLCDFICSA-N 0 0 315.370 0.002 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)c2csc(C(N)=O)c2)C[C@@H](C)O1 ZINC000006681514 181370094 /nfs/dbraw/zinc/37/00/94/181370094.db2.gz GHMXUTUVGJKHOM-HTQZYQBOSA-N 0 0 304.393 0.645 50 0 DCAARN CCCCS(=O)(=O)N1CCC(C(=O)NCCOC)CC1 ZINC000006746652 181381913 /nfs/dbraw/zinc/38/19/13/181381913.db2.gz XMSKZHZUYRAXOF-UHFFFAOYSA-N 0 0 306.428 0.591 50 0 DCAARN O=C(c1cnc(COc2ccccc2)[nH]c1=O)N1CCOCC1 ZINC000091390693 193049294 /nfs/dbraw/zinc/04/92/94/193049294.db2.gz ORQHHVXOJBMYQM-UHFFFAOYSA-N 0 0 315.329 0.821 50 0 DCAARN CCNc1ccnc(N2CCC3(C[NH2+][C@H](C(=O)[O-])C3)CC2)n1 ZINC000091616583 193079653 /nfs/dbraw/zinc/07/96/53/193079653.db2.gz HTCTVPKKQPFKGK-NSHDSACASA-N 0 0 305.382 0.942 50 0 DCAARN COCCN(Cc1nccs1)C(=O)c1cnc(C)[nH]c1=O ZINC000091486716 193063154 /nfs/dbraw/zinc/06/31/54/193063154.db2.gz OBHFXCUJUODQDB-UHFFFAOYSA-N 0 0 308.363 0.824 50 0 DCAARN CCNc1ncc(C(=O)N2CCN(C(=O)N(C)C)CC2)cn1 ZINC000091486771 193063587 /nfs/dbraw/zinc/06/35/87/193063587.db2.gz MDKMBDUKOBMOIL-UHFFFAOYSA-N 0 0 306.370 0.348 50 0 DCAARN Cc1n[nH]c(C)c1CCCNC(=O)C[C@H]1C(=O)N(C)C(=O)N1C ZINC000091894122 193123519 /nfs/dbraw/zinc/12/35/19/193123519.db2.gz BDGUGPDYDBDOQW-LBPRGKRZSA-N 0 0 321.381 0.358 50 0 DCAARN CSCc1noc(CNC(=O)[C@@H]2CCCN(C(C)=O)C2)n1 ZINC000091986956 193136717 /nfs/dbraw/zinc/13/67/17/193136717.db2.gz SAPDGNHSQHPVPC-SNVBAGLBSA-N 0 0 312.395 0.807 50 0 DCAARN CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1nccs1)C2 ZINC000092038159 193145193 /nfs/dbraw/zinc/14/51/93/193145193.db2.gz QOFNCJCYULAGOD-NWDGAFQWSA-N 0 0 322.434 0.654 50 0 DCAARN CC(C)Cc1cc(CNC(=O)CC[C@@H]2NC(=O)NC2=O)on1 ZINC000220718437 201579095 /nfs/dbraw/zinc/57/90/95/201579095.db2.gz YCRALLVVYCPPNN-NSHDSACASA-N 0 0 308.338 0.478 50 0 DCAARN CC[C@H](C)[C@H](CO)NC(=O)CCc1c(C)nc2[nH]cnn2c1=O ZINC000252538770 202864857 /nfs/dbraw/zinc/86/48/57/202864857.db2.gz NHOTUDZRAPVMNX-CABZTGNLSA-N 0 0 321.381 0.594 50 0 DCAARN O=C1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCN1 ZINC000007216358 181446950 /nfs/dbraw/zinc/44/69/50/181446950.db2.gz GDXWXQNKSRNLCD-UHFFFAOYSA-N 0 0 324.280 0.706 50 0 DCAARN Cc1noc(CCNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)n1 ZINC000263701565 203519558 /nfs/dbraw/zinc/51/95/58/203519558.db2.gz OYAMJEGFNUGGEL-GXTWGEPZSA-N 0 0 302.334 0.878 50 0 DCAARN NS(=O)(=O)c1ccc(CNC(=O)CC2(O)CCCC2)cc1 ZINC000095962866 193461457 /nfs/dbraw/zinc/46/14/57/193461457.db2.gz DTVJKBWZYXNYBA-UHFFFAOYSA-N 0 0 312.391 0.645 50 0 DCAARN O=C(/C=C\c1ccccc1)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000096488253 193667540 /nfs/dbraw/zinc/66/75/40/193667540.db2.gz QDAOYASWNFHGMP-FMFIFOJESA-N 0 0 323.370 0.546 50 0 DCAARN COc1ccc(C)cc1NCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000009339066 181615993 /nfs/dbraw/zinc/61/59/93/181615993.db2.gz XKGIVJYEGCUWKV-NSHDSACASA-N 0 0 312.391 0.719 50 0 DCAARN COC(=O)CNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 ZINC000009364115 181617673 /nfs/dbraw/zinc/61/76/73/181617673.db2.gz AWNBBJRLBRCIOR-GFCCVEGCSA-N 0 0 303.318 0.510 50 0 DCAARN O=C1CCCc2cc(S(=O)(=O)N3CCOCC3)ccc2N1 ZINC000009096174 181600838 /nfs/dbraw/zinc/60/08/38/181600838.db2.gz ZBLNNJBATGFZTL-UHFFFAOYSA-N 0 0 310.375 0.982 50 0 DCAARN C[C@@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)NC1CC1 ZINC000009839562 181642939 /nfs/dbraw/zinc/64/29/39/181642939.db2.gz DNDXEGFLXJQSLU-SECBINFHSA-N 0 0 301.306 0.486 50 0 DCAARN CC(=O)Nc1ccc(SCC(=O)NC[C@@H]2CCCO2)nn1 ZINC000011027494 181683832 /nfs/dbraw/zinc/68/38/32/181683832.db2.gz ZNSVDDIIKXHZRG-JTQLQIEISA-N 0 0 310.379 0.822 50 0 DCAARN CC[C@H](C(=O)N1CCOCC1)n1c(=O)[nH]c2ccccc2c1=O ZINC000011867248 181713287 /nfs/dbraw/zinc/71/32/87/181713287.db2.gz VYDDHNKLDGXMCK-CYBMUJFWSA-N 0 0 317.345 0.500 50 0 DCAARN O=C(CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NC1CC1 ZINC000012321136 181748585 /nfs/dbraw/zinc/74/85/85/181748585.db2.gz FGPUZXRYZAQYDG-LBPRGKRZSA-N 0 0 315.373 0.824 50 0 DCAARN COc1ccccc1[C@@H](C)NCCS(=O)(=O)CCC(N)=O ZINC000012758792 181794644 /nfs/dbraw/zinc/79/46/44/181794644.db2.gz RLFSWQNHWAMKTB-LLVKDONJSA-N 0 0 314.407 0.636 50 0 DCAARN C[C@@H](C(=O)NCCN1CCS(=O)(=O)CC1)c1ccccc1 ZINC000097163698 193684025 /nfs/dbraw/zinc/68/40/25/193684025.db2.gz IZTCMBMCXFLTRS-CYBMUJFWSA-N 0 0 310.419 0.637 50 0 DCAARN CCc1nn2c(nc(CN3CCn4ccnc4C3)cc2=O)s1 ZINC000097201401 193687369 /nfs/dbraw/zinc/68/73/69/193687369.db2.gz FTZLKGRQYJNHIJ-UHFFFAOYSA-N 0 0 316.390 0.926 50 0 DCAARN COCCNC(=O)CCn1cnc2c(cnn2C(C)(C)C)c1=O ZINC000013516631 181857562 /nfs/dbraw/zinc/85/75/62/181857562.db2.gz DQVNFALWTIGLFT-UHFFFAOYSA-N 0 0 321.381 0.501 50 0 DCAARN CCOc1nc2cccnc2n(CC(=O)NCCCOC)c1=O ZINC000015774271 182015852 /nfs/dbraw/zinc/01/58/52/182015852.db2.gz IYSAUTKEIDHOSG-UHFFFAOYSA-N 0 0 320.349 0.343 50 0 DCAARN CN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1c[nH]cn1 ZINC000015974111 182027248 /nfs/dbraw/zinc/02/72/48/182027248.db2.gz YBEASKBZVWVVSJ-UHFFFAOYSA-N 0 0 322.390 0.389 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cnn(Cc2ccccc2)c1 ZINC000017637746 182085266 /nfs/dbraw/zinc/08/52/66/182085266.db2.gz TWSQFVJDTFUZHO-CQSZACIVSA-N 0 0 319.386 0.848 50 0 DCAARN Cc1cccc(C)c1NC(=O)CNC(=O)CN1CSCC1=O ZINC000017855294 182086962 /nfs/dbraw/zinc/08/69/62/182086962.db2.gz LAHSPZYPWUKEAV-UHFFFAOYSA-N 0 0 321.402 0.891 50 0 DCAARN COc1cc(OC)cc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)c1 ZINC000018195547 182097959 /nfs/dbraw/zinc/09/79/59/182097959.db2.gz BGFOYAGBMXNBLR-CQSZACIVSA-N 0 0 320.345 0.668 50 0 DCAARN CS[C@]1(NCc2ccc3c(c2)OCO3)NN=C(C)C(=O)N1 ZINC000019793763 182150206 /nfs/dbraw/zinc/15/02/06/182150206.db2.gz XVYLCVRNQZUMDY-ZDUSSCGKSA-N 0 0 308.363 0.575 50 0 DCAARN Cc1ccccc1C(=O)NC(=S)NCCN1CCOCC1 ZINC000019884182 182160711 /nfs/dbraw/zinc/16/07/11/182160711.db2.gz SSGWXJMFZLUGSD-UHFFFAOYSA-N 0 0 307.419 0.932 50 0 DCAARN Cn1c2ccccc2nc(C(=O)N[C@@H]2CCCCNC2=O)c1=O ZINC000097641846 193742058 /nfs/dbraw/zinc/74/20/58/193742058.db2.gz ZGWBHWUFTDFZCC-LLVKDONJSA-N 0 0 314.345 0.332 50 0 DCAARN CCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000020457084 182219144 /nfs/dbraw/zinc/21/91/44/182219144.db2.gz NYEQSCCIXFGRQG-NWDGAFQWSA-N 0 0 305.444 0.810 50 0 DCAARN Cc1ccc(C(=O)N2CCC(n3cc(CO)nn3)CC2)cn1 ZINC000020540611 182228865 /nfs/dbraw/zinc/22/88/65/182228865.db2.gz YERYAFNTVOTGJG-UHFFFAOYSA-N 0 0 301.350 0.951 50 0 DCAARN COc1cc([C@@H]2NC(=O)Nc3c2c(=O)[nH]c(=O)n3C)ccc1O ZINC000020763188 182246669 /nfs/dbraw/zinc/24/66/69/182246669.db2.gz KEDXSQJLADXIEB-JTQLQIEISA-N 0 0 318.289 0.012 50 0 biogenic DCAARN COc1ccccc1OC[C@H](O)CN1CCN(CCO)CC1 ZINC000020819608 182247997 /nfs/dbraw/zinc/24/79/97/182247997.db2.gz IJWOTKAOBJCXNC-CQSZACIVSA-N 0 0 310.394 0.045 50 0 DCAARN C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(=O)[nH]n2)C[C@H](C)O1 ZINC000021048149 182263619 /nfs/dbraw/zinc/26/36/19/182263619.db2.gz NDYDKAIAWRVPBY-QWRGUYRKSA-N 0 0 308.382 0.388 50 0 DCAARN O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCCO1 ZINC000021122554 182266059 /nfs/dbraw/zinc/26/60/59/182266059.db2.gz OCICTRVHIVBNBV-NSHDSACASA-N 0 0 309.366 0.536 50 0 DCAARN O=C(CCNS(=O)(=O)c1cccs1)Nc1nncs1 ZINC000021213392 182269448 /nfs/dbraw/zinc/26/94/48/182269448.db2.gz IWBFFKBMDWITHT-UHFFFAOYSA-N 0 0 318.405 0.907 50 0 DCAARN CCNc1nc(NCCN2CCOCC2)nc2c1cnn2C ZINC000021929881 182298791 /nfs/dbraw/zinc/29/87/91/182298791.db2.gz LKLTYUGRIKPIBP-UHFFFAOYSA-N 0 0 305.386 0.539 50 0 DCAARN CC(C)C(=O)NCCCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000022471109 182322779 /nfs/dbraw/zinc/32/27/79/182322779.db2.gz LYSCEYBCTGUGGM-UHFFFAOYSA-N 0 0 316.361 0.815 50 0 biogenic DCAARN COc1cccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000023141984 182350830 /nfs/dbraw/zinc/35/08/30/182350830.db2.gz YQPWTOWTDXTVGR-UHFFFAOYSA-N 0 0 303.318 0.952 50 0 DCAARN NC(=O)CSCCC(=O)NC[C@H]1COc2ccccc2O1 ZINC000023081990 182347026 /nfs/dbraw/zinc/34/70/26/182347026.db2.gz LVUVMGOOCYXFLE-JTQLQIEISA-N 0 0 310.375 0.551 50 0 DCAARN CCOC(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000023134265 182350172 /nfs/dbraw/zinc/35/01/72/182350172.db2.gz LBBQRFCWYKXIHT-UHFFFAOYSA-N 0 0 316.365 0.936 50 0 DCAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1nccnc1N ZINC000024662113 182387103 /nfs/dbraw/zinc/38/71/03/182387103.db2.gz TXMUYNVOLVDANK-SNVBAGLBSA-N 0 0 300.318 0.971 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)NOCc2ccccc2)n(C)c1 ZINC000025039044 182399517 /nfs/dbraw/zinc/39/95/17/182399517.db2.gz FWJYRQQVXZKDPZ-UHFFFAOYSA-N 0 0 323.374 0.795 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1cccc(C)c1 ZINC000025032426 182399666 /nfs/dbraw/zinc/39/96/66/182399666.db2.gz YRWMDDMRMRGHIV-CYBMUJFWSA-N 0 0 320.345 0.264 50 0 DCAARN COc1ncccc1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000029200553 182555625 /nfs/dbraw/zinc/55/56/25/182555625.db2.gz FJFDRSOBJZWXJL-JTQLQIEISA-N 0 0 313.379 0.244 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)/C=C/c2cccs2)CC1 ZINC000032822401 182668186 /nfs/dbraw/zinc/66/81/86/182668186.db2.gz COYPXLOCRQUAAO-SNAWJCMRSA-N 0 0 300.405 0.865 50 0 DCAARN CS(=O)(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000035889376 182789733 /nfs/dbraw/zinc/78/97/33/182789733.db2.gz NZGHRDSROOOMCN-UHFFFAOYSA-N 0 0 303.428 0.013 50 0 DCAARN CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000036408686 182825515 /nfs/dbraw/zinc/82/55/15/182825515.db2.gz HTMKUAQMJCOMFY-UHFFFAOYSA-N 0 0 305.334 0.518 50 0 DCAARN Cc1nn(C)cc1C[C@@H](C)NC(=O)c1cc(C)nc2ncnn21 ZINC000036619196 182829461 /nfs/dbraw/zinc/82/94/61/182829461.db2.gz BUQLFWZUTBVXTA-SECBINFHSA-N 0 0 313.365 0.836 50 0 DCAARN Cc1ccnn1CCNC(=O)C(=O)Nc1[nH]nc2ncccc21 ZINC000040284496 183050395 /nfs/dbraw/zinc/05/03/95/183050395.db2.gz OBMYIZOAABHOTP-UHFFFAOYSA-N 0 0 313.321 0.218 50 0 DCAARN NC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 ZINC000040460939 183069642 /nfs/dbraw/zinc/06/96/42/183069642.db2.gz QNWCYJSEJPRDTO-ZDUSSCGKSA-N 0 0 302.330 0.492 50 0 DCAARN Cc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cnn1C ZINC000040481421 183077078 /nfs/dbraw/zinc/07/70/78/183077078.db2.gz CZNNUCPFIJLZBK-UHFFFAOYSA-N 0 0 322.390 0.348 50 0 DCAARN CNC(=O)CN(C)S(=O)(=O)c1ccc(C)c2ncccc12 ZINC000040494437 183080466 /nfs/dbraw/zinc/08/04/66/183080466.db2.gz IOEFTMTUIZTNEL-UHFFFAOYSA-N 0 0 307.375 0.910 50 0 DCAARN CCOc1ccc([C@@H](C)NC(=O)Cn2cnnn2)cc1OC ZINC000040512693 183088184 /nfs/dbraw/zinc/08/81/84/183088184.db2.gz RYACSSJSGYOGNR-SNVBAGLBSA-N 0 0 305.338 0.958 50 0 DCAARN CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCNC(=O)C1 ZINC000040516576 183089546 /nfs/dbraw/zinc/08/95/46/183089546.db2.gz MSJJHTVCFWVMHR-UHFFFAOYSA-N 0 0 310.375 0.441 50 0 DCAARN C[C@@H](CN1CCOCC1)NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000040528157 183093510 /nfs/dbraw/zinc/09/35/10/183093510.db2.gz VGRLCBFNZGPVSF-JTQLQIEISA-N 0 0 320.361 0.964 50 0 DCAARN O=C(CN1CCc2sccc2C1)N[C@@H]1CCCCNC1=O ZINC000040528227 183093590 /nfs/dbraw/zinc/09/35/90/183093590.db2.gz VKMSNNZQMFZUAT-GFCCVEGCSA-N 0 0 307.419 0.891 50 0 DCAARN O[C@H](COC[C@@H]1CCCO1)CN1CCN(c2ncccn2)CC1 ZINC000040459272 183069507 /nfs/dbraw/zinc/06/95/07/183069507.db2.gz CUQYVDZAWARQTN-GJZGRUSLSA-N 0 0 322.409 0.155 50 0 DCAARN C[C@@H](C(=O)NCc1ccccc1Cn1cncn1)S(C)(=O)=O ZINC000040540309 183097336 /nfs/dbraw/zinc/09/73/36/183097336.db2.gz IALFMVNFDNUEIA-NSHDSACASA-N 0 0 322.390 0.376 50 0 DCAARN O=C(Cn1cnnn1)NCc1cc(Br)ccc1F ZINC000041064972 183161915 /nfs/dbraw/zinc/16/19/15/183161915.db2.gz AXLNUTHRAPYXIG-UHFFFAOYSA-N 0 0 314.118 0.891 50 0 DCAARN COc1cccc(CO[C@@H](C)C(=O)N2CC[C@H](C(N)=O)C2)c1 ZINC000041126287 183169174 /nfs/dbraw/zinc/16/91/74/183169174.db2.gz ZGBCNWCHLIRICT-AAEUAGOBSA-N 0 0 306.362 0.934 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000041130799 183170256 /nfs/dbraw/zinc/17/02/56/183170256.db2.gz DNNSJAYHFVNQBT-SNVBAGLBSA-N 0 0 324.764 0.988 50 0 DCAARN O=C(CCn1nnc2ccccc2c1=O)NC[C@H]1CCOC1 ZINC000041371664 183187588 /nfs/dbraw/zinc/18/75/88/183187588.db2.gz NARGFTNZPBCHTM-LLVKDONJSA-N 0 0 302.334 0.334 50 0 DCAARN C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)[C@H]1CCCO1 ZINC000041375233 183187835 /nfs/dbraw/zinc/18/78/35/183187835.db2.gz OKZJDZDJIDLRKA-WDEREUQCSA-N 0 0 307.416 0.135 50 0 DCAARN O=C(NCCCn1cncn1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000041865122 183223007 /nfs/dbraw/zinc/22/30/07/183223007.db2.gz NGFZNJIMTVRUPN-CYBMUJFWSA-N 0 0 313.361 0.838 50 0 DCAARN CCS(=O)(=O)N1CCC(NC(=O)[C@H](C)OCC(C)C)CC1 ZINC000042467684 183273533 /nfs/dbraw/zinc/27/35/33/183273533.db2.gz PYXDTTCABUOVIZ-LBPRGKRZSA-N 0 0 320.455 0.978 50 0 DCAARN Cn1cc(CCNC(=O)C2CCN(C(=O)C3CC3)CC2)cn1 ZINC000042729570 183302853 /nfs/dbraw/zinc/30/28/53/183302853.db2.gz WKWXMGBMTCFQOR-UHFFFAOYSA-N 0 0 304.394 0.727 50 0 DCAARN CCCn1nc(C(=O)N(C)Cc2nnc3n2CCC3)ccc1=O ZINC000042749651 183304474 /nfs/dbraw/zinc/30/44/74/183304474.db2.gz BPEQBDPNDFSDLV-UHFFFAOYSA-N 0 0 316.365 0.463 50 0 DCAARN CC(C)CCN1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000042871922 183315892 /nfs/dbraw/zinc/31/58/92/183315892.db2.gz KMDSFPXJXSNEMZ-ZDUSSCGKSA-N 0 0 317.455 0.547 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N[C@@H]1CCSc2ccccc21 ZINC000042814293 183311919 /nfs/dbraw/zinc/31/19/19/183311919.db2.gz GMHJZZNWPVUCGZ-NXEZZACHSA-N 0 0 305.359 0.938 50 0 DCAARN C[C@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccn1 ZINC000043181488 183343473 /nfs/dbraw/zinc/34/34/73/183343473.db2.gz GDIGYRSHTLMVSS-NSHDSACASA-N 0 0 312.395 0.429 50 0 DCAARN Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@@H](C)O)cc2)o1 ZINC000044919037 183457591 /nfs/dbraw/zinc/45/75/91/183457591.db2.gz MGJOGPALUBXWKY-MRVPVSSYSA-N 0 0 304.306 0.481 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)N(C)Cc2cnn(C)c2)C[C@@H](C)O1 ZINC000044895824 183451223 /nfs/dbraw/zinc/45/12/23/183451223.db2.gz RZSJGWZZGXPFAR-GHMZBOCLSA-N 0 0 302.400 0.206 50 0 DCAARN COCCN1C[C@H](C(=O)NCc2ccccc2OC)CC1=O ZINC000045269060 183492541 /nfs/dbraw/zinc/49/25/41/183492541.db2.gz QJIRVJABPBRKNO-CYBMUJFWSA-N 0 0 306.362 0.806 50 0 DCAARN CS(=O)(=O)NCCNC(=O)NCc1cccc(Cl)c1 ZINC000045652668 183522124 /nfs/dbraw/zinc/52/21/24/183522124.db2.gz UCGVIYHHDQMEQC-UHFFFAOYSA-N 0 0 305.787 0.688 50 0 DCAARN Cn1cc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)cn1 ZINC000047529477 183594156 /nfs/dbraw/zinc/59/41/56/183594156.db2.gz NUVPKLIUHMALMH-UHFFFAOYSA-N 0 0 301.281 0.908 50 0 DCAARN O=C(CS[C@H]1CCS(=O)(=O)C1)NCCCn1cccn1 ZINC000047663673 183600910 /nfs/dbraw/zinc/60/09/10/183600910.db2.gz ISRGPMKFIQLFEK-NSHDSACASA-N 0 0 317.436 0.310 50 0 DCAARN Cc1noc(-c2ccnc(N3CC[N@@H+](C)[C@@H](C(=O)[O-])C3)c2)n1 ZINC000106687498 194244126 /nfs/dbraw/zinc/24/41/26/194244126.db2.gz VEDGVGFBVBKYMS-LLVKDONJSA-N 0 0 303.322 0.645 50 0 DCAARN NC(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCCO3)CC1 ZINC000050034872 183768408 /nfs/dbraw/zinc/76/84/08/183768408.db2.gz MPGGQPCVTRLVOR-UHFFFAOYSA-N 0 0 319.361 0.865 50 0 DCAARN Cc1nn(C)c(C)c1CC(=O)N1CCC(N2CCNC2=O)CC1 ZINC000054317939 183934359 /nfs/dbraw/zinc/93/43/59/183934359.db2.gz MSUMCDPWVBSTFL-UHFFFAOYSA-N 0 0 319.409 0.596 50 0 DCAARN CC[C@H](C)NC(=O)c1cc(OCC(=O)N2CCOCC2)n(C)n1 ZINC000057312519 184032890 /nfs/dbraw/zinc/03/28/90/184032890.db2.gz YDDAQOLZYVOCCL-NSHDSACASA-N 0 0 324.381 0.186 50 0 DCAARN CC(C)CNC(=O)c1cc(OCC(=O)N2CCOCC2)n(C)n1 ZINC000057312516 184032972 /nfs/dbraw/zinc/03/29/72/184032972.db2.gz QKOUARLOBQRLTC-UHFFFAOYSA-N 0 0 324.381 0.044 50 0 DCAARN COc1ccc(OCCCNC(=O)N2CC[C@@H](C(N)=O)C2)cc1 ZINC000056955803 184022541 /nfs/dbraw/zinc/02/25/41/184022541.db2.gz XOVYVKBYUKTYNM-GFCCVEGCSA-N 0 0 321.377 0.981 50 0 DCAARN CC[C@H](C)NC(=O)c1cc(OCC(=O)N2CCCC2)n(C)n1 ZINC000057355336 184035189 /nfs/dbraw/zinc/03/51/89/184035189.db2.gz WPJYGLFTUZCFMV-NSHDSACASA-N 0 0 308.382 0.950 50 0 DCAARN CCC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000058052037 184071533 /nfs/dbraw/zinc/07/15/33/184071533.db2.gz CWPKRZLZTRTOPN-UHFFFAOYSA-N 0 0 322.390 0.806 50 0 DCAARN CC(C)(CNC(=O)c1ccc(C(N)=O)cn1)N1CCOCC1 ZINC000058051786 184071785 /nfs/dbraw/zinc/07/17/85/184071785.db2.gz VSFHJSYBMBWKFS-UHFFFAOYSA-N 0 0 306.366 0.021 50 0 DCAARN CN(Cn1c2ccccc2n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000058356602 184108330 /nfs/dbraw/zinc/10/83/30/184108330.db2.gz KYEKQWKGXWSQAY-LLVKDONJSA-N 0 0 309.391 0.416 50 0 DCAARN CCOCCO[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000058392968 184112005 /nfs/dbraw/zinc/11/20/05/184112005.db2.gz UPRAVWSKNRGBGP-JSGCOSHPSA-N 0 0 308.378 0.641 50 0 DCAARN CC(C)N(CCCNC(=O)C1CCOCC1)S(C)(=O)=O ZINC000058283606 184100535 /nfs/dbraw/zinc/10/05/35/184100535.db2.gz GIXLLQPIZORVDU-UHFFFAOYSA-N 0 0 306.428 0.589 50 0 DCAARN Cc1noc(C)c1CNC(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000058392502 184111728 /nfs/dbraw/zinc/11/17/28/184111728.db2.gz BASAOLWKNWVXRA-UHFFFAOYSA-N 0 0 315.337 0.710 50 0 DCAARN CS(=O)(=O)CCCNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000058433798 184118252 /nfs/dbraw/zinc/11/82/52/184118252.db2.gz YGBQZJMBWHSCHS-LBPRGKRZSA-N 0 0 311.359 0.319 50 0 DCAARN CS(=O)(=O)CCCNC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000058433801 184118396 /nfs/dbraw/zinc/11/83/96/184118396.db2.gz YGBQZJMBWHSCHS-GFCCVEGCSA-N 0 0 311.359 0.319 50 0 DCAARN COC(=O)C[C@@H](NC(=O)Cn1cnnn1)c1ccc(F)cc1 ZINC000059959564 184143170 /nfs/dbraw/zinc/14/31/70/184143170.db2.gz GIAHVLAVOGGDQV-LLVKDONJSA-N 0 0 307.285 0.233 50 0 DCAARN O=C(NC[C@H]1COc2ccccc2O1)C(=O)Nc1cc[nH]n1 ZINC000061717898 184184986 /nfs/dbraw/zinc/18/49/86/184184986.db2.gz STNIDKVYPQVGMY-VIFPVBQESA-N 0 0 302.290 0.304 50 0 DCAARN C[C@@](O)(CNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1 ZINC000062021741 184201812 /nfs/dbraw/zinc/20/18/12/184201812.db2.gz OZYCRXSVMAUVAE-CQSZACIVSA-N 0 0 313.375 0.897 50 0 DCAARN O=C(CN1CCN(CCO)CC1)N(Cc1ccsc1)C1CC1 ZINC000064030636 184292164 /nfs/dbraw/zinc/29/21/64/184292164.db2.gz QCISFQGIUBICEH-UHFFFAOYSA-N 0 0 323.462 0.849 50 0 DCAARN Cc1cc(C)n([C@@H](C)CNC(=O)c2cc3n(n2)CCNC3)n1 ZINC000065386381 184333329 /nfs/dbraw/zinc/33/33/29/184333329.db2.gz PWZUAVILFIASJK-LBPRGKRZSA-N 0 0 302.382 0.791 50 0 DCAARN C[C@@H](O)[C@H](NCC(=O)Nc1ccc(Cl)cc1F)C(N)=O ZINC000065386850 184334188 /nfs/dbraw/zinc/33/41/88/184334188.db2.gz LLNKTUZQFISKBF-KBUNVGBDSA-N 0 0 303.721 0.242 50 0 DCAARN COCC(=O)N1CCN(Cc2ccc(=O)n(CC3CC3)c2)CC1 ZINC000065285950 184321709 /nfs/dbraw/zinc/32/17/09/184321709.db2.gz UKNWCKWOJMVTAG-UHFFFAOYSA-N 0 0 319.405 0.549 50 0 DCAARN CC[C@@H](C(=O)NC)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000065363720 184328640 /nfs/dbraw/zinc/32/86/40/184328640.db2.gz RVJFZKFXPIHELJ-LBPRGKRZSA-N 0 0 300.380 0.986 50 0 DCAARN O=S(=O)(NCCc1cccc2cccnc21)N1CCOCC1 ZINC000065417193 184340657 /nfs/dbraw/zinc/34/06/57/184340657.db2.gz MXIKOYUYTZCNTA-UHFFFAOYSA-N 0 0 321.402 0.944 50 0 DCAARN CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000065493905 184354204 /nfs/dbraw/zinc/35/42/04/184354204.db2.gz OJRJKYVMFKNYFP-RYUDHWBXSA-N 0 0 324.468 0.472 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)NCc2cccnc2)CC1 ZINC000065439574 184345318 /nfs/dbraw/zinc/34/53/18/184345318.db2.gz FYPWUWBYROVCCQ-UHFFFAOYSA-N 0 0 312.395 0.305 50 0 DCAARN CC(C)c1nc(CC(=O)N2CCCN(CC(N)=O)CC2)cs1 ZINC000065477327 184352241 /nfs/dbraw/zinc/35/22/41/184352241.db2.gz ISDYUSJEDFFOMS-UHFFFAOYSA-N 0 0 324.450 0.829 50 0 DCAARN COc1cccc(-n2nnc(C(=O)NC(C)(C)C(N)=O)c2C)c1 ZINC000065406069 184338715 /nfs/dbraw/zinc/33/87/15/184338715.db2.gz JBTJMJKAIBNOBH-UHFFFAOYSA-N 0 0 317.349 0.578 50 0 DCAARN COC(=O)CN1CCN(Cc2cccc3c2OCO3)[C@@H](C)C1=O ZINC000065526102 184359655 /nfs/dbraw/zinc/35/96/55/184359655.db2.gz RYHOJGUITYDETC-NSHDSACASA-N 0 0 320.345 0.621 50 0 DCAARN Cc1ccccc1NC(=O)CC(=O)NCc1cc(=O)[nH]cn1 ZINC000065528865 184360348 /nfs/dbraw/zinc/36/03/48/184360348.db2.gz NSSPDJFQBMYXNS-UHFFFAOYSA-N 0 0 300.318 0.723 50 0 DCAARN CC(C)C[C@H](C)N(C)C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000065553272 184365292 /nfs/dbraw/zinc/36/52/92/184365292.db2.gz KMNNEIQOLMFNMV-NSHDSACASA-N 0 0 316.427 0.814 50 0 DCAARN CCn1cc(C2CCN(CC(=O)N3CCNC(=O)C3)CC2)cn1 ZINC000065578361 184368047 /nfs/dbraw/zinc/36/80/47/184368047.db2.gz SBVJRVKNRRUQCJ-UHFFFAOYSA-N 0 0 319.409 0.041 50 0 DCAARN O=C(Cn1cc(-c2ccccc2)cn1)N[C@H]1CCS(=O)(=O)C1 ZINC000065584821 184368927 /nfs/dbraw/zinc/36/89/27/184368927.db2.gz BUBIVIASVTUURR-AWEZNQCLSA-N 0 0 319.386 0.853 50 0 DCAARN CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(OC)nc2)C1=O ZINC000066061366 184386175 /nfs/dbraw/zinc/38/61/75/184386175.db2.gz ZLWYSFHHKFXZRV-AWEZNQCLSA-N 0 0 306.322 0.749 50 0 DCAARN CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(OC)nc2)C1=O ZINC000066061365 184386405 /nfs/dbraw/zinc/38/64/05/184386405.db2.gz ZLWYSFHHKFXZRV-CQSZACIVSA-N 0 0 306.322 0.749 50 0 DCAARN CS(=O)(=O)CC(=O)N1CCC[C@@H](OCc2cccnc2)C1 ZINC000067758111 184484946 /nfs/dbraw/zinc/48/49/46/184484946.db2.gz BXKVEGOQZZFJSI-CYBMUJFWSA-N 0 0 312.391 0.634 50 0 DCAARN COCCNC(=O)CNC(=O)c1nc(SC)n2ccccc12 ZINC000067787433 184485779 /nfs/dbraw/zinc/48/57/79/184485779.db2.gz UHLZWMAUOAPDHK-UHFFFAOYSA-N 0 0 322.390 0.549 50 0 DCAARN Cc1c[nH]cc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)c1=O ZINC000334018256 252784204 /nfs/dbraw/zinc/78/42/04/252784204.db2.gz KGPKYMHMWAGWAI-SECBINFHSA-N 0 0 317.267 0.576 50 0 DCAARN COC[C@H]1CN(c2ccccc2S(=O)(=O)N(C)C)CCO1 ZINC000408518463 533173520 /nfs/dbraw/zinc/17/35/20/533173520.db2.gz JMDLYVVSORNYDN-GFCCVEGCSA-N 0 0 314.407 0.789 50 0 DCAARN CC[C@H](C)[C@H](NC(=O)CN1C[C@H](C)O[C@@H](C)C1)C(=O)OC ZINC000245383912 256607022 /nfs/dbraw/zinc/60/70/22/256607022.db2.gz SJRYLVZAMOWKNN-MNXVOIDGSA-N 0 0 300.399 0.800 50 0 DCAARN Cc1noc(C)c1COC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000021598217 257210991 /nfs/dbraw/zinc/21/09/91/257210991.db2.gz GGWLPRJNHCZZRG-UHFFFAOYSA-N 0 0 317.305 0.478 50 0 DCAARN Cc1sc(-n2cnnn2)c(C(=O)NCCn2cccn2)c1C ZINC000524735153 257213453 /nfs/dbraw/zinc/21/34/53/257213453.db2.gz ACRZUFAWOXKCHQ-UHFFFAOYSA-N 0 0 317.378 0.967 50 0 DCAARN O=C(NCCn1cccn1)N1CCC2(CC1)OCCC[C@@H]2O ZINC000426730644 257243556 /nfs/dbraw/zinc/24/35/56/257243556.db2.gz ZFFQJXUSMPAESV-ZDUSSCGKSA-N 0 0 308.382 0.599 50 0 DCAARN Cc1ccc2[nH]c([C@@H](C)NC(=O)N(CCO)CCO)nc2c1 ZINC000426628715 257245320 /nfs/dbraw/zinc/24/53/20/257245320.db2.gz FBEURMJUKOPANJ-LLVKDONJSA-N 0 0 306.366 0.929 50 0 DCAARN CC1(C)NC(=O)N(CC(=O)N2CCC(c3ncon3)CC2)C1=O ZINC000426597283 257246097 /nfs/dbraw/zinc/24/60/97/257246097.db2.gz UIFONHPAIYNYHD-UHFFFAOYSA-N 0 0 321.337 0.106 50 0 DCAARN Cc1n[nH]c(C)c1CCN(C)C(=O)N[C@H](C)Cn1cncn1 ZINC000426589942 257246361 /nfs/dbraw/zinc/24/63/61/257246361.db2.gz GTRWDYMZOMJQTF-SNVBAGLBSA-N 0 0 305.386 0.891 50 0 DCAARN O=C(NCc1cn2c(n1)SCC2)c1[nH]nc2c1COCC2 ZINC000426545486 257246701 /nfs/dbraw/zinc/24/67/01/257246701.db2.gz VLJHNUULKIAGDI-UHFFFAOYSA-N 0 0 305.363 0.715 50 0 DCAARN CCC(=O)N1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000426535459 257246748 /nfs/dbraw/zinc/24/67/48/257246748.db2.gz LAUKVUASFXQQIH-CYBMUJFWSA-N 0 0 321.425 0.763 50 0 DCAARN Cn1cc(CNC(=O)c2ccc3c(c2)N(C)C(=O)CO3)cn1 ZINC000426545037 257247288 /nfs/dbraw/zinc/24/72/88/257247288.db2.gz KLKHMVHQCFENSY-UHFFFAOYSA-N 0 0 300.318 0.705 50 0 DCAARN Cc1cccnc1C[C@@H](C)NC(=O)NCCNS(C)(=O)=O ZINC000426525780 257247887 /nfs/dbraw/zinc/24/78/87/257247887.db2.gz BQRVSBSZCNPOIM-LLVKDONJSA-N 0 0 314.411 0.169 50 0 DCAARN CN1CC[NH+](C[C@@H]2CCCN(C(=O)CCCC(=O)[O-])C2)CC1 ZINC000426500099 257248860 /nfs/dbraw/zinc/24/88/60/257248860.db2.gz LZKCDALKUUCVJX-AWEZNQCLSA-N 0 0 311.426 0.727 50 0 DCAARN O=C(NCCc1c[nH]cn1)N1CCCC[C@H]1CN1CCOCC1 ZINC000426490219 257249336 /nfs/dbraw/zinc/24/93/36/257249336.db2.gz QAXKSMQQYCMGIK-HNNXBMFYSA-N 0 0 321.425 0.849 50 0 DCAARN Cc1cc(C(=O)N2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)sc1C ZINC000426428256 257250533 /nfs/dbraw/zinc/25/05/33/257250533.db2.gz ISBSIZIOXVWSIX-KBPBESRZSA-N 0 0 323.462 0.798 50 0 DCAARN COCCn1cnnc1CN(C)C(=O)NCCc1cnn(C)c1 ZINC000426420131 257251774 /nfs/dbraw/zinc/25/17/74/257251774.db2.gz MSXKZCZNKUGFID-UHFFFAOYSA-N 0 0 321.385 0.042 50 0 DCAARN C[C@@H](CCC(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCN(C)CC1 ZINC000426379595 257253197 /nfs/dbraw/zinc/25/31/97/257253197.db2.gz CGTCAZRAIDQTDM-ZDUSSCGKSA-N 0 0 311.426 0.916 50 0 DCAARN CS(=O)(=O)c1ccc(C(=O)NCc2nnc3n2CCC3)cc1 ZINC000012731757 257268290 /nfs/dbraw/zinc/26/82/90/257268290.db2.gz WDXWYQXULYYUSL-UHFFFAOYSA-N 0 0 320.374 0.558 50 0 DCAARN Cc1ccsc1CNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000045578199 257269904 /nfs/dbraw/zinc/26/99/04/257269904.db2.gz OOXMTZLKPXRNBL-LLVKDONJSA-N 0 0 316.448 0.792 50 0 DCAARN C[C@@H](OCC1CC1)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000058306465 257270099 /nfs/dbraw/zinc/27/00/99/257270099.db2.gz UXCIYOCLCNZHRD-LLVKDONJSA-N 0 0 318.439 0.684 50 0 DCAARN O=C(Cn1nc2ccccn2c1=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000071805059 184847950 /nfs/dbraw/zinc/84/79/50/184847950.db2.gz YJUBXNVKFSIZFM-OLZOCXBDSA-N 0 0 316.361 0.666 50 0 DCAARN CC(C)CS(=O)(=O)CC(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000071829538 184858629 /nfs/dbraw/zinc/85/86/29/184858629.db2.gz PQQKSSOGWHDONR-GHMZBOCLSA-N 0 0 304.412 0.170 50 0 DCAARN COC(=O)[C@H]1CN(C(=O)[C@H](O)c2ccccc2Cl)CCO1 ZINC000408513731 533471205 /nfs/dbraw/zinc/47/12/05/533471205.db2.gz VEUXHNNDYKZTHS-VXGBXAGGSA-N 0 0 313.737 0.774 50 0 DCAARN Cc1nn(C)c(C)c1[C@@H](C)NS(=O)(=O)N1CCOCC1 ZINC000065794096 685064758 /nfs/dbraw/zinc/06/47/58/685064758.db2.gz RGZQOIJBGGPLNS-SNVBAGLBSA-N 0 0 302.400 0.265 50 0 DCAARN C[C@H](C(=O)NC(N)=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000012534725 134507009 /nfs/dbraw/zinc/50/70/09/134507009.db2.gz FRWXZFLRNJZUGD-GFCCVEGCSA-N 0 0 320.393 0.538 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCN(c2ncnc3n[nH]cc32)C1 ZINC000048325410 134752169 /nfs/dbraw/zinc/75/21/69/134752169.db2.gz WSTQTLBUUGXZMR-VIFPVBQESA-N 0 0 310.383 0.119 50 0 DCAARN OC1CCN(c2ccnc(NCCN3CCOCC3)n2)CC1 ZINC000065423095 134825216 /nfs/dbraw/zinc/82/52/16/134825216.db2.gz ZRSYLIHGMKCVKQ-UHFFFAOYSA-N 0 0 307.398 0.182 50 0 DCAARN CCOC(=O)C(C(=O)OCC)=C(C(=O)OCC)C(=O)OCC ZINC000004521118 285629219 /nfs/dbraw/zinc/62/92/19/285629219.db2.gz IYHFWCBVJOQIIT-UHFFFAOYSA-N 0 0 316.306 0.535 50 0 DCAARN Cc1nc(SCC(=O)N2CCNC2=O)c(C(N)=O)c(C)c1C ZINC000008231605 395684286 /nfs/dbraw/zinc/68/42/86/395684286.db2.gz BXRQVSOAFVRTOT-UHFFFAOYSA-N 0 0 322.390 0.750 50 0 DCAARN COc1ccc(OC)c([C@H](C)N[C@H]2CS(=O)(=O)C[C@@H]2O)c1 ZINC000008428773 395684633 /nfs/dbraw/zinc/68/46/33/395684633.db2.gz AYTDWXOWMXYDFL-XDTLVQLUSA-N 0 0 315.391 0.512 50 0 DCAARN COC(=O)CNC(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000008707664 395684925 /nfs/dbraw/zinc/68/49/25/395684925.db2.gz UNEMZHJCVWLOMS-UHFFFAOYSA-N 0 0 310.306 0.280 50 0 DCAARN CC(=O)N(CCS(=O)(=O)N1CCCC1)Cc1ccncc1 ZINC000009060819 395685218 /nfs/dbraw/zinc/68/52/18/395685218.db2.gz JOBWVHOWTUPVSJ-UHFFFAOYSA-N 0 0 311.407 0.856 50 0 DCAARN O=C1C2=C(CN1CCCO)NC(=O)N[C@@H]2c1ccc(O)cc1 ZINC000009317379 395685337 /nfs/dbraw/zinc/68/53/37/395685337.db2.gz JEKFNMOONKHJKI-CYBMUJFWSA-N 0 0 303.318 0.225 50 0 DCAARN C[C@@H]1CCCN(S(=O)(=O)CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000009532162 395685467 /nfs/dbraw/zinc/68/54/67/395685467.db2.gz LRZABHYZQSRMDK-SNVBAGLBSA-N 0 0 317.411 0.379 50 0 DCAARN COCC(=O)Nn1cnc2c(cnn2-c2ccc(C)cc2)c1=O ZINC000010251390 395685893 /nfs/dbraw/zinc/68/58/93/395685893.db2.gz KLVWDKFJIWACBL-UHFFFAOYSA-N 0 0 313.317 0.607 50 0 DCAARN CC[C@@H](CO)NC(=O)C(=O)Nc1c2ccccc2oc1C(N)=O ZINC000010254178 395685934 /nfs/dbraw/zinc/68/59/34/395685934.db2.gz DQSMEKSWRNQDHF-QMMMGPOBSA-N 0 0 319.317 0.357 50 0 DCAARN Nc1nc(N)nc(Cn2nc(-c3ccc(F)cc3)oc2=O)n1 ZINC000010423257 395686063 /nfs/dbraw/zinc/68/60/63/395686063.db2.gz NVVXBGRYVZNGOM-UHFFFAOYSA-N 0 0 303.257 0.040 50 0 DCAARN COc1cccc(C(=O)N2CCC(NS(C)(=O)=O)CC2)c1 ZINC000010660482 395686153 /nfs/dbraw/zinc/68/61/53/395686153.db2.gz POEGGJMGMPPQRK-UHFFFAOYSA-N 0 0 312.391 0.849 50 0 DCAARN COc1cc(C)c(Cl)cc1S(=O)(=O)N(CCO)CCO ZINC000011566245 395686677 /nfs/dbraw/zinc/68/66/77/395686677.db2.gz WNCVIVNEKXHXIW-UHFFFAOYSA-N 0 0 323.798 0.632 50 0 DCAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2oc1=O ZINC000011689631 395686779 /nfs/dbraw/zinc/68/67/79/395686779.db2.gz OGGVBBXGTUTXFI-UHFFFAOYSA-N 0 0 312.347 0.635 50 0 DCAARN COc1cccc2c1N(CC(=O)N1CCNC(=O)C1)CCC2 ZINC000026338784 395694210 /nfs/dbraw/zinc/69/42/10/395694210.db2.gz VDWISVIXRJWELL-UHFFFAOYSA-N 0 0 303.362 0.406 50 0 DCAARN CSc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCO)C3)cc1 ZINC000012347128 395687317 /nfs/dbraw/zinc/68/73/17/395687317.db2.gz OXWPLWFBOHWIFB-ZDUSSCGKSA-N 0 0 319.386 0.851 50 0 DCAARN NC(=O)CSc1nc(SCC(N)=O)n(-c2ccccc2)n1 ZINC000012377095 395687399 /nfs/dbraw/zinc/68/73/99/395687399.db2.gz MIRBFVIRXRTZKV-UHFFFAOYSA-N 0 0 323.403 0.422 50 0 DCAARN Cc1cccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@H](C)O)C3)c1 ZINC000012346167 395687427 /nfs/dbraw/zinc/68/74/27/395687427.db2.gz ZERPOGBWZUIPNS-HZMBPMFUSA-N 0 0 301.346 0.826 50 0 DCAARN Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(CCO)C3)cc1 ZINC000012389884 395687552 /nfs/dbraw/zinc/68/75/52/395687552.db2.gz SIYACRHINBIACZ-AWEZNQCLSA-N 0 0 301.346 0.780 50 0 DCAARN COc1c2c(cc(C[C@@H]3CC(C(N)=O)=NO3)c1OC)OCO2 ZINC000012418011 395687567 /nfs/dbraw/zinc/68/75/67/395687567.db2.gz LFOAHYTVPLBBMB-MRVPVSSYSA-N 0 0 308.290 0.605 50 0 DCAARN CC(C)=CC(=O)NCCNS(=O)(=O)c1cccc2nonc21 ZINC000012408416 395687657 /nfs/dbraw/zinc/68/76/57/395687657.db2.gz JDBWUYSCULMCOF-UHFFFAOYSA-N 0 0 324.362 0.584 50 0 DCAARN Cc1ccc(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012861535 395687996 /nfs/dbraw/zinc/68/79/96/395687996.db2.gz SGIWPJFAFSXRGK-CQSZACIVSA-N 0 0 310.419 0.730 50 0 DCAARN CCn1c(SCC(=O)NC(N)=O)nc2ccsc2c1=O ZINC000012864445 395688001 /nfs/dbraw/zinc/68/80/01/395688001.db2.gz BBGBAEBZTVBCAY-UHFFFAOYSA-N 0 0 312.376 0.765 50 0 DCAARN C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ccccc1 ZINC000012774808 395688006 /nfs/dbraw/zinc/68/80/06/395688006.db2.gz MFQTWQUICLCFHM-GXTWGEPZSA-N 0 0 310.419 0.810 50 0 DCAARN CC(C)[C@@H](C)NC(=O)COC(=O)c1cccc(-n2cnnn2)c1 ZINC000012795915 395688024 /nfs/dbraw/zinc/68/80/24/395688024.db2.gz DCAOWNNWWYHWON-LLVKDONJSA-N 0 0 317.349 0.980 50 0 DCAARN COc1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)c(OC)c1 ZINC000012746369 395688040 /nfs/dbraw/zinc/68/80/40/395688040.db2.gz HVRKACGYLSYRGO-UHFFFAOYSA-N 0 0 305.290 0.193 50 0 DCAARN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc(F)c1 ZINC000012929161 395688204 /nfs/dbraw/zinc/68/82/04/395688204.db2.gz DUQOESVZIQNNGX-CYBMUJFWSA-N 0 0 314.382 0.561 50 0 DCAARN COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)n3ncnc3N2)c1 ZINC000013124610 395688377 /nfs/dbraw/zinc/68/83/77/395688377.db2.gz JRLXFBNZRDUMBO-JTQLQIEISA-N 0 0 317.305 0.758 50 0 DCAARN Cc1ccc(NC(=O)Cn2cnc3c(nnn3C)c2=O)cc1C ZINC000013531206 395688548 /nfs/dbraw/zinc/68/85/48/395688548.db2.gz WCYIXXQQKVERNS-UHFFFAOYSA-N 0 0 312.333 0.781 50 0 DCAARN CC[C@H](C(=O)NCCOC)N(c1ccccc1)S(C)(=O)=O ZINC000013710988 395688768 /nfs/dbraw/zinc/68/87/68/395688768.db2.gz PJJSFCYFJHDSSI-CYBMUJFWSA-N 0 0 314.407 0.994 50 0 DCAARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCCC1 ZINC000014189086 395689289 /nfs/dbraw/zinc/68/92/89/395689289.db2.gz NFEWQJMQOHFUCZ-LLVKDONJSA-N 0 0 323.418 0.707 50 0 DCAARN C[C@@]1(C2CC2)NC(=O)N(Cn2nnc3ccccc3c2=O)C1=O ZINC000014186372 395689392 /nfs/dbraw/zinc/68/93/92/395689392.db2.gz YRRHSOAFYMYNMZ-HNNXBMFYSA-N 0 0 313.317 0.470 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000014254779 395689429 /nfs/dbraw/zinc/68/94/29/395689429.db2.gz PPYUUNHLOPFVSP-LLVKDONJSA-N 0 0 311.363 0.148 50 0 DCAARN Cc1ccc(CN2CCN3C(=O)CN(C)C(=O)[C@H]3C2)c(C)c1 ZINC000014532189 395689456 /nfs/dbraw/zinc/68/94/56/395689456.db2.gz KXKOJGGDHFDPAV-OAHLLOKOSA-N 0 0 301.390 0.788 50 0 DCAARN NC(=O)CN1c2cc(C(=O)N3CCCC3)ccc2SCC1=O ZINC000021925018 395691815 /nfs/dbraw/zinc/69/18/15/395691815.db2.gz BSGMJYVBBZDHIY-UHFFFAOYSA-N 0 0 319.386 0.847 50 0 DCAARN Cc1csc(=O)n1CC(=O)N1CCN(c2ncccn2)CC1 ZINC000022559562 395691929 /nfs/dbraw/zinc/69/19/29/395691929.db2.gz GODPDEYXPNSZEV-UHFFFAOYSA-N 0 0 319.390 0.357 50 0 DCAARN CC(C)NC(=O)NC(=O)[C@H](C)N1CCN(c2ccccn2)CC1 ZINC000024572826 395692942 /nfs/dbraw/zinc/69/29/42/395692942.db2.gz XPYDVJBDXBOPPI-ZDUSSCGKSA-N 0 0 319.409 0.826 50 0 DCAARN C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C)CC1 ZINC000025480228 395693455 /nfs/dbraw/zinc/69/34/55/395693455.db2.gz LXYZGDDVXFRMDT-CYBMUJFWSA-N 0 0 305.378 0.344 50 0 DCAARN COc1ccc(C(=O)CSc2nnc3n(N)cnn23)cc1 ZINC000000051659 395679675 /nfs/dbraw/zinc/67/96/75/395679675.db2.gz LCTPVYWLSBVYEX-UHFFFAOYSA-N 0 0 304.335 0.623 50 0 DCAARN Cc1ccc(NC(=O)CSc2nnc3n(N)cnn23)nc1 ZINC000000085405 395679804 /nfs/dbraw/zinc/67/98/04/395679804.db2.gz ZBIZMVWONOWQBU-UHFFFAOYSA-N 0 0 304.339 0.074 50 0 DCAARN C[C@H]1CN(C(=O)CN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000000196303 395679907 /nfs/dbraw/zinc/67/99/07/395679907.db2.gz UEGJRLFMYKIMGV-QWRGUYRKSA-N 0 0 302.330 0.918 50 0 DCAARN C[C@@H]1CN(C(=O)CN2C(=O)c3ccccc3C2=O)C[C@@H](C)O1 ZINC000000196302 395679961 /nfs/dbraw/zinc/67/99/61/395679961.db2.gz UEGJRLFMYKIMGV-GHMZBOCLSA-N 0 0 302.330 0.918 50 0 DCAARN COC(CNC(=O)c1cc2c(s1)CS(=O)(=O)C2)OC ZINC000000254324 395680127 /nfs/dbraw/zinc/68/01/27/395680127.db2.gz PSZNZANFDAKSKB-UHFFFAOYSA-N 0 0 305.377 0.525 50 0 DCAARN CNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000000379313 395680301 /nfs/dbraw/zinc/68/03/01/395680301.db2.gz KVVUIXBMYMUPLM-UHFFFAOYSA-N 0 0 321.196 0.961 50 0 DCAARN CC[C@@H]1C(=O)N=C(SCC(=O)Nc2ccccn2)NC1=O ZINC000000381024 395680319 /nfs/dbraw/zinc/68/03/19/395680319.db2.gz JABSDIWALDHEIJ-UHFFFAOYSA-N 0 0 306.347 0.792 50 0 DCAARN O=C(NC1CCCCC1)[C@H](O)[C@@H](O)C(=O)NC1CCCCC1 ZINC000000358703 395680349 /nfs/dbraw/zinc/68/03/49/395680349.db2.gz SDIXVJXQBKEXAI-ZIAGYGMSSA-N 0 0 312.410 0.606 50 0 DCAARN O=C(NCc1cccc(Cl)c1)C(=O)N[C@@H]1CCCCNC1=O ZINC000002147675 395681241 /nfs/dbraw/zinc/68/12/41/395681241.db2.gz BSWQCHNZFNNZBX-GFCCVEGCSA-N 0 0 323.780 0.741 50 0 DCAARN CC(=O)O[C@H]1Cn2c(-c3cnccn3)nnc2N(C(C)=O)C1 ZINC000005383065 395682769 /nfs/dbraw/zinc/68/27/69/395682769.db2.gz QPRRTYVKPUSPAW-SNVBAGLBSA-N 0 0 302.294 0.033 50 0 DCAARN Cc1ccc(C(=O)OCC(=O)N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000007895790 395683640 /nfs/dbraw/zinc/68/36/40/395683640.db2.gz JSIUGCDRMBKGJE-CYBMUJFWSA-N 0 0 304.346 0.876 50 0 DCAARN CS(=O)(=O)NC[C@H](Cc1cccc(F)c1)N1CCCC1=O ZINC000085467476 395701231 /nfs/dbraw/zinc/70/12/31/395701231.db2.gz QUSOKKQQFXLWAA-ZDUSSCGKSA-N 0 0 314.382 0.908 50 0 DCAARN CC(=O)NCCCC(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000085479571 395701648 /nfs/dbraw/zinc/70/16/48/395701648.db2.gz WVFPQOSHWUMUOC-UHFFFAOYSA-N 0 0 303.362 0.778 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)NCCCn2cccn2)c1 ZINC000030168423 395701993 /nfs/dbraw/zinc/70/19/93/395701993.db2.gz YWJLEICSCLAGTB-UHFFFAOYSA-N 0 0 322.390 0.611 50 0 DCAARN CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NC)o2)CCO1 ZINC000030600682 395703486 /nfs/dbraw/zinc/70/34/86/395703486.db2.gz ZJXUJCGTBLJYFU-VIFPVBQESA-N 0 0 302.352 0.439 50 0 DCAARN COC(=O)CNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C ZINC000030693353 395704022 /nfs/dbraw/zinc/70/40/22/395704022.db2.gz IGBWRVUUFHLTNC-ZDUSSCGKSA-N 0 0 310.325 0.869 50 0 DCAARN CNS(=O)(=O)Cc1ccc(CNC(=O)c2cnccn2)cc1 ZINC000030963024 395704841 /nfs/dbraw/zinc/70/48/41/395704841.db2.gz WUZGJPYSQBSKRL-UHFFFAOYSA-N 0 0 320.374 0.456 50 0 DCAARN CCn1nnnc1SCC(=O)NCCOc1ccccc1 ZINC000030970953 395705254 /nfs/dbraw/zinc/70/52/54/395705254.db2.gz SWSFJYZBZQOJSZ-UHFFFAOYSA-N 0 0 307.379 0.980 50 0 DCAARN CNC(=O)c1ccc(C)c(NC(=O)c2ccc(=O)n(C)n2)c1 ZINC000031920510 395708470 /nfs/dbraw/zinc/70/84/70/395708470.db2.gz KLUJVSHPNBJDOQ-UHFFFAOYSA-N 0 0 300.318 0.701 50 0 DCAARN Cc1occc(=O)c1OCc1noc(C(=O)NC[C@@H](C)O)n1 ZINC000032095622 395709413 /nfs/dbraw/zinc/70/94/13/395709413.db2.gz GSTREOOQCJGVKH-SSDOTTSWSA-N 0 0 309.278 0.021 50 0 DCAARN CCc1nnc([C@@H]2CN(Cc3nnc(C4CC4)n3C)CCO2)[nH]1 ZINC000089289858 395709805 /nfs/dbraw/zinc/70/98/05/395709805.db2.gz GYDXQRDMQGQGFZ-NSHDSACASA-N 0 0 317.397 0.947 50 0 DCAARN CN(C(=O)CN1CCCN(CC(=O)N2CCCC2)CC1)C1CC1 ZINC000089334653 395710100 /nfs/dbraw/zinc/71/01/00/395710100.db2.gz RSTZOFCWUFJOLU-UHFFFAOYSA-N 0 0 322.453 0.237 50 0 DCAARN COc1ccccc1N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000089473841 395712104 /nfs/dbraw/zinc/71/21/04/395712104.db2.gz QXHJYNZDLAPPOQ-RYUDHWBXSA-N 0 0 318.377 0.319 50 0 DCAARN C[C@@H]1C[C@H](OC(=O)c2cccc(NS(C)(=O)=O)c2)C(=O)O1 ZINC000032736394 395712606 /nfs/dbraw/zinc/71/26/06/395712606.db2.gz JGAJWDZBQGHALH-KCJUWKMLSA-N 0 0 313.331 0.919 50 0 DCAARN Cc1cc(N2CCN(C(=O)CO)CC2)nc(-c2ccccn2)n1 ZINC000089600696 395713269 /nfs/dbraw/zinc/71/32/69/395713269.db2.gz GXVYRKVMQWPWGU-UHFFFAOYSA-N 0 0 313.361 0.488 50 0 DCAARN O=S(=O)(NCCOc1ccc(F)cc1)N1CCOCC1 ZINC000032808885 395713566 /nfs/dbraw/zinc/71/35/66/395713566.db2.gz PGFWWTIHBCJXNF-UHFFFAOYSA-N 0 0 304.343 0.371 50 0 DCAARN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000032808871 395713700 /nfs/dbraw/zinc/71/37/00/395713700.db2.gz DHQMONRRAXXTRK-DGCLKSJQSA-N 0 0 315.439 0.706 50 0 DCAARN CCCN(CCC)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000032796399 395713829 /nfs/dbraw/zinc/71/38/29/395713829.db2.gz CWCWNTAZGFHYHW-UHFFFAOYSA-N 0 0 318.377 0.894 50 0 DCAARN CCCNC(=O)CNC(=O)Cn1cnc2ccc(F)cc2c1=O ZINC000032795648 395713928 /nfs/dbraw/zinc/71/39/28/395713928.db2.gz WISGWFNAYHQFHR-UHFFFAOYSA-N 0 0 320.324 0.178 50 0 DCAARN C[C@H]1CN(S(=O)(=O)CCNc2ncccn2)C[C@H](C)O1 ZINC000032923652 395714620 /nfs/dbraw/zinc/71/46/20/395714620.db2.gz KOGWHWGMELUPBH-QWRGUYRKSA-N 0 0 300.384 0.328 50 0 DCAARN O=C([C@@H]1CNC(=O)N1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000089800405 395715363 /nfs/dbraw/zinc/71/53/63/395715363.db2.gz BYNDYWUNZFANTP-RYUDHWBXSA-N 0 0 317.345 0.803 50 0 DCAARN CC(=O)c1cn(Cc2nc(CC(C)C)no2)c(=O)n(C)c1=O ZINC000089856586 395715980 /nfs/dbraw/zinc/71/59/80/395715980.db2.gz IIDXRZBTQKXUIR-UHFFFAOYSA-N 0 0 306.322 0.379 50 0 DCAARN O=c1[nH]cc(S(=O)(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000033327135 395716899 /nfs/dbraw/zinc/71/68/99/395716899.db2.gz PLPQKEAQPMQDSE-NSHDSACASA-N 0 0 321.358 0.831 50 0 DCAARN C[C@H]1CN(CCN2C(=O)CNC2=O)CCN1c1nccs1 ZINC000089939427 395717096 /nfs/dbraw/zinc/71/70/96/395717096.db2.gz YYRVSEPITRZPCJ-JTQLQIEISA-N 0 0 309.395 0.205 50 0 DCAARN C[C@H]1CN(C)CCN1C(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000089938107 395717346 /nfs/dbraw/zinc/71/73/46/395717346.db2.gz IQNMRGCBAZPMOB-LBPRGKRZSA-N 0 0 316.361 0.666 50 0 DCAARN CC(C)N1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000035215989 395719756 /nfs/dbraw/zinc/71/97/56/395719756.db2.gz BRQRTCPVUNYSSA-UHFFFAOYSA-N 0 0 306.819 0.788 50 0 DCAARN CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cn(CC)cn2)C1 ZINC000035505840 395720778 /nfs/dbraw/zinc/72/07/78/395720778.db2.gz FKFCVKQFRVQNDU-LLVKDONJSA-N 0 0 314.411 0.440 50 0 DCAARN O=C(C1CCN(c2ccc3nncn3n2)CC1)N1CCOCC1 ZINC000028096347 395695741 /nfs/dbraw/zinc/69/57/41/395695741.db2.gz RXPGYIBJOSDMIA-UHFFFAOYSA-N 0 0 316.365 0.200 50 0 DCAARN COCCCNC(=O)CN(C)S(=O)(=O)c1cccs1 ZINC000028202637 395695878 /nfs/dbraw/zinc/69/58/78/395695878.db2.gz RUUFLNCYEHYDQH-UHFFFAOYSA-N 0 0 306.409 0.521 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1ccccn1 ZINC000028784237 395696190 /nfs/dbraw/zinc/69/61/90/395696190.db2.gz ZCDZKAXTDXLMKO-JTQLQIEISA-N 0 0 302.334 0.577 50 0 DCAARN COc1ccc([C@@H](NC(=O)CN2CCNC(=O)C2)C(C)C)cc1 ZINC000028932750 395696612 /nfs/dbraw/zinc/69/66/12/395696612.db2.gz RWZQIZLOQCFPBI-KRWDZBQOSA-N 0 0 319.405 0.940 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cccc3cn[nH]c32)C1 ZINC000029199452 395697112 /nfs/dbraw/zinc/69/71/12/395697112.db2.gz IFPIRKDVQJLONI-NSHDSACASA-N 0 0 322.390 0.717 50 0 DCAARN COc1cc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc(OC)c1 ZINC000029490371 395698591 /nfs/dbraw/zinc/69/85/91/395698591.db2.gz LDLRSEDTSNQMOO-UHFFFAOYSA-N 0 0 305.290 0.193 50 0 DCAARN CCOc1ccc(C(=O)NCCNS(C)(=O)=O)cc1OC ZINC000029678979 395699608 /nfs/dbraw/zinc/69/96/08/395699608.db2.gz DZEGZSZFJAFQJR-UHFFFAOYSA-N 0 0 316.379 0.373 50 0 DCAARN O=C(CN1CCN(c2ncccn2)CC1)Nc1nccs1 ZINC000037078533 395726356 /nfs/dbraw/zinc/72/63/56/395726356.db2.gz QTIKYVIMYDAXPW-UHFFFAOYSA-N 0 0 304.379 0.694 50 0 DCAARN O=C(CCN1C(=O)COc2ccccc21)N1CCC[C@@H](O)C1 ZINC000040472917 395733555 /nfs/dbraw/zinc/73/35/55/395733555.db2.gz XXHGSGWGNIABRJ-GFCCVEGCSA-N 0 0 304.346 0.785 50 0 DCAARN C[C@@H]1CO[C@@H](C)CN1CC(=O)N1CCN(c2ncccn2)CC1 ZINC000040501483 395734157 /nfs/dbraw/zinc/73/41/57/395734157.db2.gz JNQIWOPHFMZZIY-KGLIPLIRSA-N 0 0 319.409 0.234 50 0 DCAARN CN1CCO[C@H](CN(C(=O)[C@@H]2CCOC2)c2nccs2)C1 ZINC000095402119 395740512 /nfs/dbraw/zinc/74/05/12/395740512.db2.gz LMTREDNPAVMVGJ-NEPJUHHUSA-N 0 0 311.407 0.843 50 0 DCAARN Cn1cc(CCNC(=O)c2ccc(N3CCOCC3)nc2)cn1 ZINC000042729711 395748357 /nfs/dbraw/zinc/74/83/57/395748357.db2.gz CZTCXKODOWZOQT-UHFFFAOYSA-N 0 0 315.377 0.624 50 0 DCAARN CCCn1nc(C)cc1NC(=O)CNC(=O)c1ccn(C)n1 ZINC000096192630 395748392 /nfs/dbraw/zinc/74/83/92/395748392.db2.gz UEOPIEUBOUWIGC-UHFFFAOYSA-N 0 0 304.354 0.704 50 0 DCAARN COc1cccc(N([C@H](C)C(=O)N(C)C)S(C)(=O)=O)c1 ZINC000096125633 395745706 /nfs/dbraw/zinc/74/57/06/395745706.db2.gz LBMXCRSTEXYPEQ-SNVBAGLBSA-N 0 0 300.380 0.938 50 0 DCAARN CCOCC(=O)N1CCC(c2nnc(CN(C)C)n2C)CC1 ZINC000096150043 395746059 /nfs/dbraw/zinc/74/60/59/395746059.db2.gz FOAGDJDKCMRRLT-UHFFFAOYSA-N 0 0 309.414 0.619 50 0 DCAARN O=C(NCCn1ccnc1)N1CCN(c2ncccn2)CC1 ZINC000043311703 395752535 /nfs/dbraw/zinc/75/25/35/395752535.db2.gz LOHCBTSAVKMZRR-UHFFFAOYSA-N 0 0 301.354 0.205 50 0 DCAARN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000096409333 395752910 /nfs/dbraw/zinc/75/29/10/395752910.db2.gz NOYHHVLRXLWABI-CYBMUJFWSA-N 0 0 318.356 0.906 50 0 DCAARN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cn[nH]n1 ZINC000096423777 395753431 /nfs/dbraw/zinc/75/34/31/395753431.db2.gz FLXLTAOISMBWLK-ZDUSSCGKSA-N 0 0 314.393 0.745 50 0 DCAARN O[C@H](COc1ccc(-n2cccn2)cc1)CN1CCOCC1 ZINC000096484808 395754088 /nfs/dbraw/zinc/75/40/88/395754088.db2.gz WKCWMOMFEADLRA-HNNXBMFYSA-N 0 0 303.362 0.944 50 0 DCAARN CN(C)S(=O)(=O)/C=C\c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000097475356 395758197 /nfs/dbraw/zinc/75/81/97/395758197.db2.gz MVYUHWBCNVAUKN-KTKRTIGZSA-N 0 0 318.420 0.799 50 0 DCAARN Cn1c(=O)cc(CN2CCO[C@@H](c3nccs3)C2)n(C)c1=O ZINC000097199804 395755591 /nfs/dbraw/zinc/75/55/91/395755591.db2.gz QAUXCXOROKCIFA-LLVKDONJSA-N 0 0 322.390 0.114 50 0 DCAARN CCc1nnc2n1C[C@H](NC(=O)CCOC[C@@H]1CCCO1)CC2 ZINC000097198675 395755672 /nfs/dbraw/zinc/75/56/72/395755672.db2.gz MMTVTTAMLDRLHA-OLZOCXBDSA-N 0 0 322.409 0.857 50 0 DCAARN CN(C)[C@H](CNC(=O)Nc1nccn(C)c1=O)c1ccco1 ZINC000097234879 395756605 /nfs/dbraw/zinc/75/66/05/395756605.db2.gz LVGRMKHTIQBVJI-SNVBAGLBSA-N 0 0 305.338 0.798 50 0 DCAARN Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1c[nH]cn1 ZINC000097288802 395756842 /nfs/dbraw/zinc/75/68/42/395756842.db2.gz FSGLKFVFYZDNCV-UHFFFAOYSA-N 0 0 308.363 0.338 50 0 DCAARN O=C(NCCc1nnc2ccccn21)c1ccc2nnnn2c1 ZINC000096223859 395750467 /nfs/dbraw/zinc/75/04/67/395750467.db2.gz QXVITIJHOAWNNP-UHFFFAOYSA-N 0 0 308.305 0.140 50 0 DCAARN Cn1cc(NC(=O)COc2ccc(-c3nnn(C)n3)cc2)cn1 ZINC000096232781 395750791 /nfs/dbraw/zinc/75/07/91/395750791.db2.gz DMMSRLCVOCFSOJ-UHFFFAOYSA-N 0 0 313.321 0.628 50 0 DCAARN Cn1nnc(-c2ccc(OCC(=O)N3CCOCC3)cc2)n1 ZINC000096232693 395751150 /nfs/dbraw/zinc/75/11/50/395751150.db2.gz ZAOYNHVOOUWATJ-UHFFFAOYSA-N 0 0 303.322 0.115 50 0 DCAARN Cc1ccc(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)cc1C(N)=O ZINC000106054235 395781943 /nfs/dbraw/zinc/78/19/43/395781943.db2.gz PGBWVYJNHGTPSH-MNOVXSKESA-N 0 0 312.391 0.892 50 0 DCAARN CSCC(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000047000226 395785451 /nfs/dbraw/zinc/78/54/51/395785451.db2.gz BUBLGFXVRKLBGS-UHFFFAOYSA-N 0 0 307.419 0.793 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ncon1 ZINC000108151780 395786408 /nfs/dbraw/zinc/78/64/08/395786408.db2.gz MPLWXWQOIQKDCX-NXEZZACHSA-N 0 0 316.383 0.451 50 0 DCAARN c1cnc(N2CCN(Cc3nc([C@@H]4CCOC4)n[nH]3)CC2)nc1 ZINC000097515196 395758608 /nfs/dbraw/zinc/75/86/08/395758608.db2.gz HPLBOLZYHBVLEA-GFCCVEGCSA-N 0 0 315.381 0.421 50 0 DCAARN O=C(C1CCC1)N1CCN(Cc2ccc(CO)o2)C[C@@H](O)C1 ZINC000097772893 395760132 /nfs/dbraw/zinc/76/01/32/395760132.db2.gz DPOWKRIUTCKKRM-CYBMUJFWSA-N 0 0 308.378 0.577 50 0 DCAARN Cn1nnc(-c2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2)n1 ZINC000097745103 395760144 /nfs/dbraw/zinc/76/01/44/395760144.db2.gz MQFLXMZYAUBSEJ-LBPRGKRZSA-N 0 0 314.349 0.276 50 0 DCAARN CS(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1 ZINC000097942239 395761440 /nfs/dbraw/zinc/76/14/40/395761440.db2.gz JLMRNNHXWIWSEM-IHRRRGAJSA-N 0 0 308.403 0.768 50 0 DCAARN O=C(Cn1ccccc1=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000046424159 395776289 /nfs/dbraw/zinc/77/62/89/395776289.db2.gz RTXUZUMCMBOZPQ-ZDUSSCGKSA-N 0 0 313.361 0.424 50 0 DCAARN NC(=O)C1(CNC(=O)[C@H]2COc3ccccc3O2)CCOCC1 ZINC000047930924 395802972 /nfs/dbraw/zinc/80/29/72/395802972.db2.gz OLVLSWHGMXUDQJ-CYBMUJFWSA-N 0 0 320.345 0.225 50 0 DCAARN Cc1noc(C)c1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000049035609 395827056 /nfs/dbraw/zinc/82/70/56/395827056.db2.gz DADQQWUJFNMYRF-SNVBAGLBSA-N 0 0 301.368 0.445 50 0 DCAARN O=C(CNS(=O)(=O)c1cccs1)NC[C@@H]1CCCCO1 ZINC000049121015 395828239 /nfs/dbraw/zinc/82/82/39/395828239.db2.gz FCWQRUODNMGBHJ-JTQLQIEISA-N 0 0 318.420 0.712 50 0 DCAARN CN(C)c1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C2)nn1 ZINC000225448308 395859886 /nfs/dbraw/zinc/85/98/86/395859886.db2.gz DRGYBOFASSFDJT-VXGBXAGGSA-N 0 0 306.366 0.559 50 0 DCAARN CN(C)c1ccc(O[C@@H]2CCN(C(=O)N3CCOCC3)C2)nn1 ZINC000225449768 395860165 /nfs/dbraw/zinc/86/01/65/395860165.db2.gz YKIJEXHLZRKCAU-GFCCVEGCSA-N 0 0 321.381 0.448 50 0 DCAARN O=C([O-])[C@@H]1CN(Cc2cn[nH]n2)CC[N@H+](Cc2ccco2)C1 ZINC000217443333 395839331 /nfs/dbraw/zinc/83/93/31/395839331.db2.gz CNMLJMCLUVFRFP-LLVKDONJSA-N 0 0 305.338 0.416 50 0 DCAARN COC(=O)CCNC(=O)Cn1nc(-c2ccco2)ccc1=O ZINC000218232535 395842137 /nfs/dbraw/zinc/84/21/37/395842137.db2.gz IIDCYBYFZBWKAB-UHFFFAOYSA-N 0 0 305.290 0.183 50 0 DCAARN CC(C)[C@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)c1ccccn1 ZINC000218936003 395843598 /nfs/dbraw/zinc/84/35/98/395843598.db2.gz VBXWHUIICKYVIU-LBPRGKRZSA-N 0 0 302.334 0.596 50 0 DCAARN CNC(=O)[C@H]1CCCCN1C(=O)c1cc(CC(C)C)nc(N)n1 ZINC000218974138 395843702 /nfs/dbraw/zinc/84/37/02/395843702.db2.gz ARVODCYUKWTBSU-CYBMUJFWSA-N 0 0 319.409 0.998 50 0 DCAARN Cc1nn[nH]c1C(=O)N[C@@H]1CCOC[C@@H]1Oc1ccc(C)nc1 ZINC000218936733 395843713 /nfs/dbraw/zinc/84/37/13/395843713.db2.gz PTOCXCADZWEHDT-OLZOCXBDSA-N 0 0 317.349 0.783 50 0 DCAARN CN(C)[C@@H](C(=O)NCCc1ncnn1C)c1ccccc1F ZINC000219056721 395844841 /nfs/dbraw/zinc/84/48/41/395844841.db2.gz WMZMLCTVNPZZEJ-CQSZACIVSA-N 0 0 305.357 0.916 50 0 DCAARN CC(C)Cc1cc(C(=O)NCCN2CCCOC2=O)nc(N)n1 ZINC000219345871 395845602 /nfs/dbraw/zinc/84/56/02/395845602.db2.gz FFUQZKJPKRIFOK-UHFFFAOYSA-N 0 0 321.381 0.829 50 0 DCAARN COc1ccc([C@@H](O)C(=O)NCC2(CO)CCOCC2)cc1 ZINC000219310126 395845651 /nfs/dbraw/zinc/84/56/51/395845651.db2.gz KISFYJDRJSNLBD-CQSZACIVSA-N 0 0 309.362 0.634 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(CN2CCC(C(N)=O)CC2)o1 ZINC000051185702 395848275 /nfs/dbraw/zinc/84/82/75/395848275.db2.gz BPSAJVZOCONZIL-UHFFFAOYSA-N 0 0 315.395 0.227 50 0 DCAARN CC[C@@H](NS(=O)(=O)c1cc(C(N)=O)cs1)C1CC(O)C1 ZINC000220562346 395848892 /nfs/dbraw/zinc/84/88/92/395848892.db2.gz ZMPSBNDSLDZMBG-YXGXMSFMSA-N 0 0 318.420 0.675 50 0 DCAARN CN(CC(=O)NCc1nnc2n1CCC2)Cc1ccncc1 ZINC000220374340 395848966 /nfs/dbraw/zinc/84/89/66/395848966.db2.gz YRDRGSPPJFBRSD-UHFFFAOYSA-N 0 0 300.366 0.368 50 0 DCAARN COCCN1C[C@H](Cc2cc(C(N)=O)ccc2OC)CC1=O ZINC000223047075 395853709 /nfs/dbraw/zinc/85/37/09/395853709.db2.gz 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/nfs/dbraw/zinc/79/59/85/395795985.db2.gz YDPNKSGLXDZMLR-SNVBAGLBSA-N 0 0 303.409 0.480 50 0 DCAARN NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccoc2Cl)C1 ZINC000236305486 395893805 /nfs/dbraw/zinc/89/38/05/395893805.db2.gz VWULJXXKGPXVHV-QMMMGPOBSA-N 0 0 321.786 0.578 50 0 DCAARN O=C(CN1CCNC(=O)CC1)N1CCN(c2ccccc2)CC1 ZINC000054258310 395896172 /nfs/dbraw/zinc/89/61/72/395896172.db2.gz CXLWYKLASOBRSX-UHFFFAOYSA-N 0 0 316.405 0.157 50 0 DCAARN O=C(Cn1nc(-c2ccccc2)ccc1=O)NC(=O)NC1CC1 ZINC000054658602 395904045 /nfs/dbraw/zinc/90/40/45/395904045.db2.gz QBPQEQUKDLELOB-UHFFFAOYSA-N 0 0 312.329 0.899 50 0 DCAARN COC(=O)CNC[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000055383832 395918086 /nfs/dbraw/zinc/91/80/86/395918086.db2.gz VYGFGHWDVRPXNG-MRXNPFEDSA-N 0 0 324.352 0.442 50 0 DCAARN O=C(CCC(=O)NC1CCCC1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000055393178 395918591 /nfs/dbraw/zinc/91/85/91/395918591.db2.gz GXEGOKXMKOMWHG-NSHDSACASA-N 0 0 316.423 0.376 50 0 DCAARN Cc1cc(C[C@@H](C)NC(=O)CSc2nnc(N)s2)[nH]n1 ZINC000055403570 395918731 /nfs/dbraw/zinc/91/87/31/395918731.db2.gz QODKINNYMPXIDO-ZCFIWIBFSA-N 0 0 312.424 0.991 50 0 DCAARN CO[C@H]1C[C@H](C(=O)N2CCCC2(C)C)N(S(C)(=O)=O)C1 ZINC000241590480 395923855 /nfs/dbraw/zinc/92/38/55/395923855.db2.gz PFFCVXAPNQHDRA-WDEREUQCSA-N 0 0 304.412 0.436 50 0 DCAARN Cc1c(NC(=O)CN2CCN(c3ncccn3)CC2)cnn1C ZINC000244852777 395925259 /nfs/dbraw/zinc/92/52/59/395925259.db2.gz UYQCEHAWZGBPEY-UHFFFAOYSA-N 0 0 315.381 0.279 50 0 DCAARN Cc1cccc2[nH]c(CN(C)C(=O)[C@H](C)NS(C)(=O)=O)nc21 ZINC000244873298 395926273 /nfs/dbraw/zinc/92/62/73/395926273.db2.gz WNQDZCQNGZLKRX-JTQLQIEISA-N 0 0 324.406 0.767 50 0 DCAARN O=C(NCC1CCN(c2ncc(F)cn2)CC1)N1CCNC1=O ZINC000245174488 395926990 /nfs/dbraw/zinc/92/69/90/395926990.db2.gz YOUNISSSAZRKEM-UHFFFAOYSA-N 0 0 322.344 0.567 50 0 DCAARN C[C@H]1CC[C@@H](NC(=O)N2CCC(CS(N)(=O)=O)CC2)C1 ZINC000225699874 395862324 /nfs/dbraw/zinc/86/23/24/395862324.db2.gz UEDYRMIKPYMYEU-CMPLNLGQSA-N 0 0 303.428 0.885 50 0 DCAARN NC(=O)C1CCN(C(=O)c2ccc(O[C@H]3CCOC3)nc2)CC1 ZINC000225707091 395862754 /nfs/dbraw/zinc/86/27/54/395862754.db2.gz DKBYWNFZGFPGPP-ZDUSSCGKSA-N 0 0 319.361 0.587 50 0 DCAARN Cc1nc(C(=O)NCCn2nnc3ccccc3c2=O)cs1 ZINC000225796575 395863536 /nfs/dbraw/zinc/86/35/36/395863536.db2.gz MZYHREYFKDGESP-UHFFFAOYSA-N 0 0 315.358 0.986 50 0 DCAARN CN1Cc2ccc(NC(=O)[C@H]3CSCCC(=O)N3)cc2C1=O ZINC000226753297 395867348 /nfs/dbraw/zinc/86/73/48/395867348.db2.gz XFMOGZZAIUSSGD-GFCCVEGCSA-N 0 0 319.386 0.832 50 0 DCAARN C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2CCNC(=O)C2)C[C@@H](C)O1 ZINC000119230429 395867765 /nfs/dbraw/zinc/86/77/65/395867765.db2.gz OXVCBCGUTDQNRF-JHJVBQTASA-N 0 0 311.426 0.517 50 0 DCAARN NC(=O)[C@H](c1ccccc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000229502905 395874666 /nfs/dbraw/zinc/87/46/66/395874666.db2.gz AHHQUFRTRAUACO-CABCVRRESA-N 0 0 300.362 0.811 50 0 DCAARN CN1C(=O)C(=O)N(CN2CCN(C)C[C@@H]2c2ccccc2)C1=O ZINC000229548589 395874852 /nfs/dbraw/zinc/87/48/52/395874852.db2.gz FRPGJVPZOFFFCH-CYBMUJFWSA-N 0 0 316.361 0.353 50 0 DCAARN CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000229756029 395875337 /nfs/dbraw/zinc/87/53/37/395875337.db2.gz OJRJKYVMFKNYFP-NEPJUHHUSA-N 0 0 324.468 0.472 50 0 DCAARN CNC(=O)[C@@H]1CCCN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000229767592 395875884 /nfs/dbraw/zinc/87/58/84/395875884.db2.gz REYIPPRUPPNHGW-MELADBBJSA-N 0 0 309.410 0.367 50 0 DCAARN CCOC(=O)C1=C(CN2CCO[C@@H]3CCCC[C@H]32)NC(=O)NC1 ZINC000230070940 395877799 /nfs/dbraw/zinc/87/77/99/395877799.db2.gz RQCOXIPSWQQPAV-ZIAGYGMSSA-N 0 0 323.393 0.760 50 0 DCAARN CCCNC(=O)CN1CCC(NC(=O)c2cncnc2)CC1 ZINC000273619169 395933942 /nfs/dbraw/zinc/93/39/42/395933942.db2.gz OEBQEFFQLXBARX-UHFFFAOYSA-N 0 0 305.382 0.197 50 0 DCAARN C[C@@H]1CN(C(=O)C2(NS(C)(=O)=O)CCCCC2)CCO1 ZINC000057255429 395941462 /nfs/dbraw/zinc/94/14/62/395941462.db2.gz PARYQKPKTDMSKX-LLVKDONJSA-N 0 0 304.412 0.486 50 0 DCAARN COc1cccc(N2CCN([C@H](C)C(=O)NC(N)=O)CC2)c1 ZINC000057358883 395943413 /nfs/dbraw/zinc/94/34/13/395943413.db2.gz BYCKQWMIKNKSOH-LLVKDONJSA-N 0 0 306.366 0.401 50 0 DCAARN Cc1ccc(N[C@H](C)C(=O)NC(N)=O)c(OCC(=O)N(C)C)c1 ZINC000058158526 395951932 /nfs/dbraw/zinc/95/19/32/395951932.db2.gz VTLGQVFIFGJYEJ-SNVBAGLBSA-N 0 0 322.365 0.457 50 0 DCAARN C=CC(=O)NC1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000148519305 395968734 /nfs/dbraw/zinc/96/87/34/395968734.db2.gz LHQCCVDEYCCGOI-UHFFFAOYSA-N 0 0 309.391 0.724 50 0 DCAARN COc1ccc(CN2CCN(C(=O)c3ccnn3C)CC2)cn1 ZINC000065267215 395991571 /nfs/dbraw/zinc/99/15/71/395991571.db2.gz NJKBNIMJAOATOF-UHFFFAOYSA-N 0 0 315.377 0.782 50 0 DCAARN C[C@@H]1CN=C2C=C(N3CCN(C(=O)c4ccccn4)CC3)N=CN21 ZINC000065265385 395991591 /nfs/dbraw/zinc/99/15/91/395991591.db2.gz WDQUKEIJSYDXFX-CYBMUJFWSA-N 0 0 324.388 0.825 50 0 DCAARN CCS(=O)(=O)N[C@@H]1CCCN(c2ncnc3c2cnn3C)C1 ZINC000065415620 395993132 /nfs/dbraw/zinc/99/31/32/395993132.db2.gz CPBSHLMFKYQIKE-SNVBAGLBSA-N 0 0 324.410 0.271 50 0 DCAARN CN1C[C@H](C(=O)N[C@H]2CC[C@H](Oc3ncccn3)CC2)CC1=O ZINC000252523081 396022245 /nfs/dbraw/zinc/02/22/45/396022245.db2.gz BVLACZTZLMOKHR-JHJVBQTASA-N 0 0 318.377 0.761 50 0 DCAARN CCOc1ccc(CC(=O)N2C[C@@H](CO)[C@H](NC(C)=O)C2)cc1 ZINC000253396534 396026799 /nfs/dbraw/zinc/02/67/99/396026799.db2.gz BDNLZWWNPRUATC-GOEBONIOSA-N 0 0 320.389 0.583 50 0 DCAARN COc1cccc(CN2CC[C@@H]3CN(S(C)(=O)=O)[C@@H]3C2)n1 ZINC000253411916 396026815 /nfs/dbraw/zinc/02/68/15/396026815.db2.gz PHCVYSMSGNFQDI-DGCLKSJQSA-N 0 0 311.407 0.556 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@H]1COC ZINC000253407549 396027130 /nfs/dbraw/zinc/02/71/30/396027130.db2.gz JYPAIJWKZPZFKK-SMDDNHRTSA-N 0 0 324.352 0.672 50 0 DCAARN CNC(=O)c1noc([C@@H]2CC(F)(F)CN2C2CCOCC2)n1 ZINC000253397938 396027316 /nfs/dbraw/zinc/02/73/16/396027316.db2.gz BTMKNIRYJPSXDG-VIFPVBQESA-N 0 0 316.308 0.990 50 0 DCAARN CCNC(=O)CN1CCN(CC[C@@H](O)c2ccccc2)CC1 ZINC000253417470 396027628 /nfs/dbraw/zinc/02/76/28/396027628.db2.gz UCDMKIZWFRXCLB-MRXNPFEDSA-N 0 0 305.422 0.864 50 0 DCAARN COc1cccc2c1OCC(CN1CC[C@@]([NH3+])(C(=O)[O-])C1)=C2 ZINC000067727175 396031849 /nfs/dbraw/zinc/03/18/49/396031849.db2.gz QUNAIAUVILKYPI-INIZCTEOSA-N 0 0 304.346 0.959 50 0 DCAARN O=C1NC[C@H]2CN(C/C=C\c3ccc(F)cc3)CCN2C1=O ZINC000255362225 396033089 /nfs/dbraw/zinc/03/30/89/396033089.db2.gz OGIVKALTSATZGT-BOPNBLERSA-N 0 0 303.337 0.482 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)c2onc3ccccc32)CC1 ZINC000067772734 396033559 /nfs/dbraw/zinc/03/35/59/396033559.db2.gz UDQJKLJOJJEJNE-UHFFFAOYSA-N 0 0 323.374 0.982 50 0 DCAARN C[N@@H+]1CCN(C(=O)c2[nH]cnc2-c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000067805410 396033886 /nfs/dbraw/zinc/03/38/86/396033886.db2.gz ZCDKLKBWZBAOLW-GFCCVEGCSA-N 0 0 314.345 0.918 50 0 DCAARN Cn1nc(N2CC[C@H](NC(=O)c3ccsc3)C2)ccc1=O ZINC000257188535 396035134 /nfs/dbraw/zinc/03/51/34/396035134.db2.gz MUYHQBBJWPSWBG-NSHDSACASA-N 0 0 304.375 0.851 50 0 DCAARN CC(=O)c1cccc(OCc2cc(C(=O)NCC(N)=O)[nH]n2)c1 ZINC000067920483 396038830 /nfs/dbraw/zinc/03/88/30/396038830.db2.gz LXBANYDWAICSEJ-UHFFFAOYSA-N 0 0 316.317 0.406 50 0 DCAARN Cc1ccc(CN2CCN(C(=O)CS(C)(=O)=O)CC2=O)cc1 ZINC000067935466 396039771 /nfs/dbraw/zinc/03/97/71/396039771.db2.gz DQIQRODGRPQBBY-UHFFFAOYSA-N 0 0 324.402 0.210 50 0 DCAARN CCc1nc(CCNS(=O)(=O)c2cn(C)cn2)cs1 ZINC000069121972 396070002 /nfs/dbraw/zinc/07/00/02/396070002.db2.gz YQOOTAOSBWYZOW-UHFFFAOYSA-N 0 0 300.409 0.960 50 0 DCAARN CCN1CCO[C@@H](CN2CCC[C@H]2C(=O)NCC(F)(F)F)C1 ZINC000249694993 396011110 /nfs/dbraw/zinc/01/11/10/396011110.db2.gz QCCPKTMJYDMQIR-NEPJUHHUSA-N 0 0 323.359 0.850 50 0 DCAARN Nc1nccnc1C(=O)NCc1nc(-c2cccs2)n[nH]1 ZINC000066650789 396012075 /nfs/dbraw/zinc/01/20/75/396012075.db2.gz QYKKKRQHRJZMBY-UHFFFAOYSA-N 0 0 301.335 0.835 50 0 DCAARN COCC(=O)N1CCCN([C@H](C)C(=O)Nc2ccccn2)CC1 ZINC000252494400 396020808 /nfs/dbraw/zinc/02/08/08/396020808.db2.gz NUMHZDFAVJYERS-CYBMUJFWSA-N 0 0 320.393 0.589 50 0 DCAARN CCNC(=O)CNS(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC000069698405 396086976 /nfs/dbraw/zinc/08/69/76/396086976.db2.gz QWAMAJIYTCDQEI-UHFFFAOYSA-N 0 0 323.374 0.897 50 0 DCAARN COCCN1CCN(CC(=O)Nc2c(C)n[nH]c2C)C[C@H]1C ZINC000069774898 396090214 /nfs/dbraw/zinc/09/02/14/396090214.db2.gz KOCRJLCQNNJBRT-LLVKDONJSA-N 0 0 309.414 0.618 50 0 DCAARN COCc1ccc(CNC(=O)CN2CCN(CCO)CC2)cc1 ZINC000069773468 396090265 /nfs/dbraw/zinc/09/02/65/396090265.db2.gz YTKIYYWPCJRUQA-UHFFFAOYSA-N 0 0 321.421 0.059 50 0 DCAARN Cc1ccc([C@H](CNC(=O)CCNC(N)=O)N2CCOCC2)o1 ZINC000069816918 396091109 /nfs/dbraw/zinc/09/11/09/396091109.db2.gz KSUWAKXDGKWMPQ-LBPRGKRZSA-N 0 0 324.381 0.136 50 0 DCAARN CCS(=O)(=O)N1CCC(CCOC)(NC(=O)C2CC2)CC1 ZINC000169787388 396092653 /nfs/dbraw/zinc/09/26/53/396092653.db2.gz ARKYZHVXVCTXIQ-UHFFFAOYSA-N 0 0 318.439 0.733 50 0 DCAARN CNC(=O)N1CCC([C@H]2CCN(C(=O)c3ccnn3C)C2)CC1 ZINC000169784371 396092815 /nfs/dbraw/zinc/09/28/15/396092815.db2.gz LPJPASGMAPLYED-ZDUSSCGKSA-N 0 0 319.409 0.934 50 0 DCAARN FC(F)(F)c1ccnc(N2CCO[C@@H](Cn3cncn3)C2)n1 ZINC000069879968 396093605 /nfs/dbraw/zinc/09/36/05/396093605.db2.gz YSBBSXZAYUYNME-SECBINFHSA-N 0 0 314.271 0.992 50 0 DCAARN C[C@@H]1CN(Cc2ncnn2C)C[C@H](C)N1Cc1ncnn1C ZINC000170608609 396095158 /nfs/dbraw/zinc/09/51/58/396095158.db2.gz PKIGZNDOJPAPIR-TXEJJXNPSA-N 0 0 304.402 0.038 50 0 DCAARN CCO[C@H]1C[C@@](NC(=O)CNC(=O)CC)(C(=O)OC)C1(C)C ZINC000170602651 396095210 /nfs/dbraw/zinc/09/52/10/396095210.db2.gz CCPMSFMNVVONCH-ZUZCIYMTSA-N 0 0 314.382 0.376 50 0 DCAARN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)OCCO ZINC000170602212 396095297 /nfs/dbraw/zinc/09/52/97/396095297.db2.gz LDBBRHARZSQPKO-UHFFFAOYSA-N 0 0 304.350 0.974 50 0 DCAARN COc1ccc(-c2nc(CN3CCN(CCO)CC3)no2)cc1 ZINC000069947232 396095437 /nfs/dbraw/zinc/09/54/37/396095437.db2.gz IXZSTHQFXCCTQU-UHFFFAOYSA-N 0 0 318.377 0.855 50 0 DCAARN O=C(NCc1cccnc1)N1CCN(C[C@H]2COCCO2)CC1 ZINC000069971742 396097324 /nfs/dbraw/zinc/09/73/24/396097324.db2.gz LRJMTKUKLAQXGQ-HNNXBMFYSA-N 0 0 320.393 0.324 50 0 DCAARN O=C(NCc1cccs1)C1CN(S(=O)(=O)C2CC2)C1 ZINC000070818333 396105227 /nfs/dbraw/zinc/10/52/27/396105227.db2.gz XAVVRZKCIBAPOR-UHFFFAOYSA-N 0 0 300.405 0.788 50 0 DCAARN COCCc1noc(CN2CCC(N3CCCC3=O)CC2)n1 ZINC000071415543 396113364 /nfs/dbraw/zinc/11/33/64/396113364.db2.gz XJJSPGQZNREDAL-UHFFFAOYSA-N 0 0 308.382 0.845 50 0 DCAARN COCc1cc(CNC(=O)c2cnn3cc(C)cnc23)[nH]n1 ZINC000071776582 396114054 /nfs/dbraw/zinc/11/40/54/396114054.db2.gz BMWOHYSIIMMVRF-UHFFFAOYSA-N 0 0 300.322 0.837 50 0 DCAARN NC(=O)C(NC(=O)c1sc2sccc2c1Cl)C(N)=O ZINC000071795593 396115469 /nfs/dbraw/zinc/11/54/69/396115469.db2.gz MGLZPOGVKQYYHH-UHFFFAOYSA-N 0 0 317.779 0.685 50 0 DCAARN NC(=O)[C@@H](CNC(=O)c1nccnc1N)Cc1ccc(F)cc1 ZINC000071826886 396116833 /nfs/dbraw/zinc/11/68/33/396116833.db2.gz QHMZVRLMBLZZBQ-SNVBAGLBSA-N 0 0 317.324 0.272 50 0 DCAARN C[C@@H]1CN(C(=O)C[C@H]2NC(=O)NC2=O)C[C@@H](c2ccccc2)O1 ZINC000071827202 396117067 /nfs/dbraw/zinc/11/70/67/396117067.db2.gz LSMAAKRNNQUPOS-RTXFEEFZSA-N 0 0 317.345 0.573 50 0 DCAARN CC(C)CCS(=O)(=O)CC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000071829544 396117096 /nfs/dbraw/zinc/11/70/96/396117096.db2.gz BFOGTBWNOFOMDL-NEPJUHHUSA-N 0 0 318.439 0.560 50 0 DCAARN C[C@@H]1CN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)C[C@H](C)O1 ZINC000071833132 396118040 /nfs/dbraw/zinc/11/80/40/396118040.db2.gz HPFFVDPHRIGPEG-PHIMTYICSA-N 0 0 311.382 0.733 50 0 DCAARN CC1CCN(C(=O)CN2CCC[C@@H](N3CCNC3=O)C2)CC1 ZINC000071830531 396118118 /nfs/dbraw/zinc/11/81/18/396118118.db2.gz IJXGQATWUFBJOP-CQSZACIVSA-N 0 0 308.426 0.735 50 0 DCAARN O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H]1Cn1cccn1 ZINC000071866399 396119668 /nfs/dbraw/zinc/11/96/68/396119668.db2.gz AXDQMFKRZSNTHC-OCCSQVGLSA-N 0 0 302.378 0.885 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)[C@H](C)S(=O)(=O)C(C)C)CC1 ZINC000071881149 396122191 /nfs/dbraw/zinc/12/21/91/396122191.db2.gz RBAGXJARKDJCSA-QWHCGFSZSA-N 0 0 320.455 0.113 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccco2)CC1 ZINC000071881899 396122216 /nfs/dbraw/zinc/12/22/16/396122216.db2.gz IOZDNWHMYFULSW-ILXRZTDVSA-N 0 0 322.405 0.925 50 0 DCAARN C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000071890310 396123422 /nfs/dbraw/zinc/12/34/22/396123422.db2.gz SQPBBLGLFGMPCW-LLVKDONJSA-N 0 0 322.390 0.808 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)c2c[nH]nc2CC)CC1 ZINC000072269664 396128941 /nfs/dbraw/zinc/12/89/41/396128941.db2.gz KODDLTOVMDWWJA-GFCCVEGCSA-N 0 0 310.398 0.127 50 0 DCAARN CCN1N=C(C(=O)N[C@H]2CCc3nc(C)cn3C2)CCC1=O ZINC000072271428 396129088 /nfs/dbraw/zinc/12/90/88/396129088.db2.gz IVTJFRKSJFMXDB-NSHDSACASA-N 0 0 303.366 0.621 50 0 DCAARN O=C(C[C@@H]1CCc2ccccc21)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000072290744 396129650 /nfs/dbraw/zinc/12/96/50/396129650.db2.gz LMYILKIKAJYZHT-SJCJKPOMSA-N 0 0 313.357 0.917 50 0 DCAARN O=C(CNC(=O)c1ccco1)N1CCC(C2OCCO2)CC1 ZINC000069276555 396074189 /nfs/dbraw/zinc/07/41/89/396074189.db2.gz CKNRFHCQVSRXEF-UHFFFAOYSA-N 0 0 308.334 0.621 50 0 DCAARN NC(=O)[C@H]1CCCN(C(=O)COCCOc2ccccc2)C1 ZINC000069349603 396075827 /nfs/dbraw/zinc/07/58/27/396075827.db2.gz AJPKIDOIKFSXDE-ZDUSSCGKSA-N 0 0 306.362 0.806 50 0 DCAARN Cc1noc([C@@H](C)N2CCN(CCS(C)(=O)=O)CC2)n1 ZINC000069418075 396077907 /nfs/dbraw/zinc/07/79/07/396077907.db2.gz YFMADNBFERHALB-SNVBAGLBSA-N 0 0 302.400 0.101 50 0 DCAARN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCO[C@H](Cn2cccn2)C1 ZINC000069454648 396078812 /nfs/dbraw/zinc/07/88/12/396078812.db2.gz OABFTOLERHWVQJ-ILXRZTDVSA-N 0 0 322.409 0.268 50 0 DCAARN Cc1cnn(C[C@@H]2CN(CCCS(C)(=O)=O)CCO2)c1 ZINC000069569706 396082891 /nfs/dbraw/zinc/08/28/91/396082891.db2.gz YMACJNYCEGBJSN-ZDUSSCGKSA-N 0 0 301.412 0.327 50 0 DCAARN C[C@@H](C(=O)N1CCCN(Cc2cnn(C)c2)CC1)n1ccnc1 ZINC000069621797 396084633 /nfs/dbraw/zinc/08/46/33/396084633.db2.gz DOFDCYINMVCMSG-AWEZNQCLSA-N 0 0 316.409 0.912 50 0 DCAARN O=C(CNC(=O)NC[C@H]1CCCO1)NCCc1ccccc1 ZINC000069630825 396085333 /nfs/dbraw/zinc/08/53/33/396085333.db2.gz LWMJUSHPZAYEKL-CQSZACIVSA-N 0 0 305.378 0.824 50 0 DCAARN NC(=O)NC(=O)CCNC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000176774378 396160526 /nfs/dbraw/zinc/16/05/26/396160526.db2.gz MTOIZMFEFXCMQE-WBMJQRKESA-N 0 0 301.346 0.592 50 0 DCAARN NC(=O)NCCNC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000075141310 396176858 /nfs/dbraw/zinc/17/68/58/396176858.db2.gz ZHBHEZFYLDRGMH-UHFFFAOYSA-N 0 0 316.317 0.930 50 0 DCAARN Cc1cccc(C)c1-n1nnnc1CNC[C@H]1CN(C)CCO1 ZINC000075133284 396176888 /nfs/dbraw/zinc/17/68/88/396176888.db2.gz QFSGVSLKNNDUCT-AWEZNQCLSA-N 0 0 316.409 0.699 50 0 DCAARN COC(=O)CNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 ZINC000075611263 396183633 /nfs/dbraw/zinc/18/36/33/396183633.db2.gz KZDUFSRXXIPTOY-VDDIYKPWSA-N 0 0 315.395 0.001 50 0 DCAARN CC(=O)N[C@@](C)(C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1)C1CC1 ZINC000076045280 396192892 /nfs/dbraw/zinc/19/28/92/396192892.db2.gz GZKVTVKRDSOZRH-IUODEOHRSA-N 0 0 321.381 0.318 50 0 DCAARN Cc1nnc([C@H]2CN(CC(=O)N(C)Cc3ccco3)CCO2)[nH]1 ZINC000076048870 396193761 /nfs/dbraw/zinc/19/37/61/396193761.db2.gz CVAVZYQBVKJUIO-CYBMUJFWSA-N 0 0 319.365 0.738 50 0 DCAARN COCCOc1ccc(NC(=O)N[C@@H]2CCC[C@H]2C(N)=O)cn1 ZINC000076069211 396195969 /nfs/dbraw/zinc/19/59/69/396195969.db2.gz KWQYFMMJLSGDNE-VXGBXAGGSA-N 0 0 322.365 0.882 50 0 DCAARN O=C(Cn1cc(I)cn1)N1CCNC1=O ZINC000077962824 396237340 /nfs/dbraw/zinc/23/73/40/396237340.db2.gz UYJNMPUFOGACJL-UHFFFAOYSA-N 0 0 320.090 0.040 50 0 DCAARN NC(=O)[C@H]1CN(Cn2ccc(-c3ccc(F)cc3)n2)CCO1 ZINC000078404893 396244024 /nfs/dbraw/zinc/24/40/24/396244024.db2.gz RMUUZTWEJMGQBA-CQSZACIVSA-N 0 0 304.325 0.833 50 0 DCAARN CN(CCOC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C ZINC000078715073 396252911 /nfs/dbraw/zinc/25/29/11/396252911.db2.gz MSPSGQHAPQRXMJ-JTQLQIEISA-N 0 0 321.395 0.831 50 0 DCAARN CN(C)c1ccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cn1 ZINC000078788800 396254337 /nfs/dbraw/zinc/25/43/37/396254337.db2.gz RYRFODAAEWEMCI-GJZGRUSLSA-N 0 0 318.421 0.819 50 0 DCAARN CCc1nnsc1C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000078788533 396254416 /nfs/dbraw/zinc/25/44/16/396254416.db2.gz UYISQXSDHSCOKT-RYUDHWBXSA-N 0 0 310.423 0.772 50 0 DCAARN Cn1cc([C@@H]2[C@@H](C(=O)OCC(=O)C3CC3)CCC(=O)N2C)cn1 ZINC000078813948 396254718 /nfs/dbraw/zinc/25/47/18/396254718.db2.gz HNRGEOIFTNXETC-SWLSCSKDSA-N 0 0 319.361 0.852 50 0 DCAARN CC(C)c1nc(CN(C)[C@@H]2CCN(CC(=O)N(C)C)C2)no1 ZINC000078891659 396255888 /nfs/dbraw/zinc/25/58/88/396255888.db2.gz NLJZZWYROKRYII-GFCCVEGCSA-N 0 0 309.414 0.787 50 0 DCAARN O=C(CN1CCO[C@H](CNc2cccnn2)C1)NCC1CC1 ZINC000078893990 396257308 /nfs/dbraw/zinc/25/73/08/396257308.db2.gz RZJPDGVGHDYHRZ-CYBMUJFWSA-N 0 0 305.382 0.116 50 0 DCAARN NC(=O)c1cc([C@H]2CCCN(C(=O)C3=COCCC3)C2)n[nH]1 ZINC000078901253 396257814 /nfs/dbraw/zinc/25/78/14/396257814.db2.gz PPNUWMBNVOIUEB-JTQLQIEISA-N 0 0 304.350 0.909 50 0 DCAARN CC(=O)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000077421141 396221794 /nfs/dbraw/zinc/22/17/94/396221794.db2.gz DBFGOJBRHPCQAN-CABCVRRESA-N 0 0 308.403 0.516 50 0 DCAARN CC(C)C[C@@H](O)C1CCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)CC1 ZINC000077453427 396223231 /nfs/dbraw/zinc/22/32/31/396223231.db2.gz UXXNLTWINIHAHR-CYBMUJFWSA-N 0 0 323.393 0.251 50 0 DCAARN CCN(Cc1nc(CSC)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000077504121 396225175 /nfs/dbraw/zinc/22/51/75/396225175.db2.gz TZXAIUFAIXJPQS-SECBINFHSA-N 0 0 305.425 0.942 50 0 DCAARN Cc1cc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)ccc1-n1cncn1 ZINC000287035686 396398694 /nfs/dbraw/zinc/39/86/94/396398694.db2.gz VCZGHCPUNZSFLM-YPMHNXCESA-N 0 0 317.324 0.614 50 0 DCAARN Cn1cnn(CCN(Cc2ccccc2)S(C)(=O)=O)c1=O ZINC000190118809 396402139 /nfs/dbraw/zinc/40/21/39/396402139.db2.gz NBVYGFGIMLYPBA-UHFFFAOYSA-N 0 0 310.379 0.044 50 0 DCAARN Cc1noc2ncnc(N[C@H]3CCN(c4cnn(C)c4)C3=O)c12 ZINC000192458231 396431303 /nfs/dbraw/zinc/43/13/03/396431303.db2.gz AFYHBZPSPHBEDE-JTQLQIEISA-N 0 0 313.321 0.877 50 0 DCAARN COCC[C@H]1COCCN1C(=O)CN1Cc2ccccc2C1=O ZINC000291135213 396479740 /nfs/dbraw/zinc/47/97/40/396479740.db2.gz FICWVLVWAYODMF-AWEZNQCLSA-N 0 0 318.373 0.906 50 0 DCAARN Cn1ncnc1CCNC(=O)CCc1[nH]nc2c1CCCC2 ZINC000584888755 396632928 /nfs/dbraw/zinc/63/29/28/396632928.db2.gz QMITVYMKTDKJDL-UHFFFAOYSA-N 0 0 302.382 0.709 50 0 DCAARN COCCN(C)CC(=O)N1CCC[C@@H](CN2CCCC2=O)C1 ZINC000584889572 396633315 /nfs/dbraw/zinc/63/33/15/396633315.db2.gz YSTKSNYMKHRPRB-AWEZNQCLSA-N 0 0 311.426 0.426 50 0 DCAARN CC(=O)N[C@H]1CCN(C(=O)NCc2ccc3[nH]cnc3c2)C1 ZINC000584891382 396634174 /nfs/dbraw/zinc/63/41/74/396634174.db2.gz HDIWFZBYPUKEIB-LBPRGKRZSA-N 0 0 301.350 0.983 50 0 DCAARN Cn1nnnc1SCC(=O)NCc1nc2c(s1)CCCC2 ZINC000584890707 396634188 /nfs/dbraw/zinc/63/41/88/396634188.db2.gz ARBWPJQGCBUWLZ-UHFFFAOYSA-N 0 0 324.435 0.954 50 0 DCAARN CSCCN1CCN(C(=O)CCCN2CCOCC2)CC1 ZINC000584897920 396635675 /nfs/dbraw/zinc/63/56/75/396635675.db2.gz HWJUBGHPWKEDPL-UHFFFAOYSA-N 0 0 315.483 0.606 50 0 DCAARN CCc1nnc(CN(C)C(=O)Cn2c(C)cc(C)nc2=O)o1 ZINC000584897444 396635796 /nfs/dbraw/zinc/63/57/96/396635796.db2.gz VPFYUVGXWJKVJN-UHFFFAOYSA-N 0 0 305.338 0.464 50 0 DCAARN CN(Cc1ccccc1)c1ncnc2c1ncn2C[C@@H](O)CO ZINC000585138844 396641637 /nfs/dbraw/zinc/64/16/37/396641637.db2.gz HEGUBFBIDOCXFH-CYBMUJFWSA-N 0 0 313.361 0.816 50 0 DCAARN Cc1cc(C)cc(C[C@H](C)NC(=O)CN2CCNC(=O)C2)c1 ZINC000585140902 396641642 /nfs/dbraw/zinc/64/16/42/396641642.db2.gz MIBHMYYDNDILCV-AWEZNQCLSA-N 0 0 303.406 0.782 50 0 DCAARN CN(Cc1noc(C2CC2)n1)[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC000299754249 396714413 /nfs/dbraw/zinc/71/44/13/396714413.db2.gz QFXWUFJWRYLDLK-OLZOCXBDSA-N 0 0 319.409 0.684 50 0 DCAARN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(Cl)cn1C ZINC000617874702 396850488 /nfs/dbraw/zinc/85/04/88/396850488.db2.gz IOHKVDNWTOMUQN-PSASIEDQSA-N 0 0 306.771 0.220 50 0 DCAARN O=C(c1noc2c1CCCC2)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000376419087 396925408 /nfs/dbraw/zinc/92/54/08/396925408.db2.gz FOBVYHROXKWATE-JOYOIKCWSA-N 0 0 310.375 0.813 50 0 DCAARN O=C([C@@H]1CCC(=O)NC1)N1CCC(Oc2cnsn2)CC1 ZINC000618257594 396942243 /nfs/dbraw/zinc/94/22/43/396942243.db2.gz YUQMEFIMYUJPBE-SECBINFHSA-N 0 0 310.379 0.434 50 0 DCAARN Cn1cc([C@H]2C[S@](=O)CCN2C(=O)c2ncccc2F)cn1 ZINC000597555338 397013587 /nfs/dbraw/zinc/01/35/87/397013587.db2.gz OJQBERANHDDVDP-VERVWZFWSA-N 0 0 322.365 0.900 50 0 DCAARN CN(C)c1ccc(C(=O)NC2(C(N)=O)CCOCC2)c(F)c1 ZINC000378246722 397218846 /nfs/dbraw/zinc/21/88/46/397218846.db2.gz RVWOZQUJRBZUQI-UHFFFAOYSA-N 0 0 309.341 0.656 50 0 DCAARN O=C(NC[C@@](O)(c1ccoc1)c1ccco1)N1CCNC1=O ZINC000390826194 397302102 /nfs/dbraw/zinc/30/21/02/397302102.db2.gz FFQLOHBLGHHNNZ-CQSZACIVSA-N 0 0 305.290 0.843 50 0 DCAARN O=C(Cn1cc([N+](=O)[O-])cn1)NC(=O)NCc1ccccc1 ZINC000390834424 397303057 /nfs/dbraw/zinc/30/30/57/397303057.db2.gz YNRVDUOJEIARGU-UHFFFAOYSA-N 0 0 303.278 0.817 50 0 DCAARN CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(=O)n(C)c1)CC2 ZINC000091892933 286101736 /nfs/dbraw/zinc/10/17/36/286101736.db2.gz AJXIERMYAYGMLE-OLZOCXBDSA-N 0 0 306.362 0.387 50 0 DCAARN COc1cccc([C@@H]2C(C(N)=O)=C(C)N=C3N=CNN32)c1OC ZINC000000071333 286462539 /nfs/dbraw/zinc/46/25/39/286462539.db2.gz DVNWFGBFFLSWEI-GFCCVEGCSA-N 0 0 315.333 0.722 50 0 DCAARN Cn1cc(-c2ncc(C(=O)N3CCNC(=O)C3(C)C)s2)cn1 ZINC000069702465 158044715 /nfs/dbraw/zinc/04/47/15/158044715.db2.gz QBHJGFJWBPEZDZ-UHFFFAOYSA-N 0 0 319.390 0.894 50 0 DCAARN O=C(CN1CCCCC1=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000329145000 159067468 /nfs/dbraw/zinc/06/74/68/159067468.db2.gz WQCOZKMBGCJGLJ-MJBXVCDLSA-N 0 0 310.394 0.387 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](CO)CC(C)C)C1 ZINC000330580570 159196185 /nfs/dbraw/zinc/19/61/85/159196185.db2.gz RDOYVCGHYWMKLU-OLZOCXBDSA-N 0 0 320.455 0.571 50 0 DCAARN C[C@H]1CN(C(=O)CCOC2CCOCC2)C[C@H](C)S1=O ZINC000408341087 160088152 /nfs/dbraw/zinc/08/81/52/160088152.db2.gz GQVIJPDYFBVJPL-RYUDHWBXSA-N 0 0 303.424 0.940 50 0 DCAARN CCCCn1nnnc1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000069487798 286909596 /nfs/dbraw/zinc/90/95/96/286909596.db2.gz AGOVSIDZGYDMGM-CYBMUJFWSA-N 0 0 305.386 0.571 50 0 DCAARN O=C(COc1cccc[n+]1[O-])NC[C@H]1Cc2ccccc2O1 ZINC000131061838 196137033 /nfs/dbraw/zinc/13/70/33/196137033.db2.gz HQEFZJHWJNRJDF-CYBMUJFWSA-N 0 0 300.314 0.819 50 0 DCAARN CON(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012779812 415151039 /nfs/dbraw/zinc/15/10/39/415151039.db2.gz KEYUNNIQYYSRJC-UHFFFAOYSA-N 0 0 306.771 0.980 50 0 DCAARN C[C@H]1CC(=O)c2cnc3nc(N4CCOCC4)[nH]c(=O)c3c2C1 ZINC000019973967 415154779 /nfs/dbraw/zinc/15/47/79/415154779.db2.gz HFGCSMGPTXKKFX-SECBINFHSA-N 0 0 314.345 0.920 50 0 DCAARN CCc1nnc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)s1 ZINC000021289486 415155205 /nfs/dbraw/zinc/15/52/05/415155205.db2.gz RULWMCWMCBPNRC-UHFFFAOYSA-N 0 0 309.351 0.357 50 0 DCAARN Cc1nn(C)c2ncc(C(=O)NC[C@@H](C)N3CCOCC3)cc12 ZINC000025147662 415157629 /nfs/dbraw/zinc/15/76/29/415157629.db2.gz ONSIDAYVSJRAPQ-LLVKDONJSA-N 0 0 317.393 0.727 50 0 DCAARN Cc1cc(CN(C)C(=O)Cn2nnc3ccccc3c2=O)no1 ZINC000025137638 415157734 /nfs/dbraw/zinc/15/77/34/415157734.db2.gz DPUAYCZPTFPCBW-UHFFFAOYSA-N 0 0 313.317 0.747 50 0 DCAARN C[C@H](C(=O)NC(N)=O)N1CCN(Cc2ccccc2F)CC1 ZINC000025412601 415162898 /nfs/dbraw/zinc/16/28/98/415162898.db2.gz MGQQNSSHSASMSR-LLVKDONJSA-N 0 0 308.357 0.527 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccc(C)cc3)C(=O)[C@]2(C)NN1 ZINC000000081704 415124519 /nfs/dbraw/zinc/12/45/19/415124519.db2.gz BRQFQQZGMSCVNR-MEBBXXQBSA-N 0 0 301.302 0.375 50 0 DCAARN CC(C)(C)S(=O)(=O)c1cnc(N2CCOCC2)nc1N ZINC000000124927 415124685 /nfs/dbraw/zinc/12/46/85/415124685.db2.gz GDHZZUDBHRLEQY-UHFFFAOYSA-N 0 0 300.384 0.468 50 0 DCAARN CNc1nc(S[C@@H](C)C(=O)OC)nc(N2CCOCC2)n1 ZINC000000610031 415125450 /nfs/dbraw/zinc/12/54/50/415125450.db2.gz XQVYBEIHPRKJAL-QMMMGPOBSA-N 0 0 313.383 0.404 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccc(C)cc3)C(=O)[C@@]2(C)NN1 ZINC000000081706 415125654 /nfs/dbraw/zinc/12/56/54/415125654.db2.gz BRQFQQZGMSCVNR-BMIGLBTASA-N 0 0 301.302 0.375 50 0 DCAARN CCn1c(=O)cc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O ZINC000004033795 415129711 /nfs/dbraw/zinc/12/97/11/415129711.db2.gz IGWBIEDITXEORK-UHFFFAOYSA-N 0 0 318.333 0.112 50 0 DCAARN CNC(=O)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000003513519 415130560 /nfs/dbraw/zinc/13/05/60/415130560.db2.gz SGIZBVFGYVXWLV-UHFFFAOYSA-N 0 0 319.342 0.804 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccccc3C)C(=O)[C@@]2(C)NN1 ZINC000004104480 415130603 /nfs/dbraw/zinc/13/06/03/415130603.db2.gz HHUDOYVDEPXEQL-BONVTDFDSA-N 0 0 301.302 0.375 50 0 DCAARN CC1=NN(CC(C)C)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000005147990 415132871 /nfs/dbraw/zinc/13/28/71/415132871.db2.gz XZSOWZBRDJQUGU-JTQLQIEISA-N 0 0 318.381 0.847 50 0 DCAARN NC(=O)c1ccc(NC(=O)CSc2nnc(N)s2)cc1 ZINC000007141085 415136792 /nfs/dbraw/zinc/13/67/92/415136792.db2.gz QDDAENQRNOGGOO-UHFFFAOYSA-N 0 0 309.376 0.950 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)N1CCC2(CC1)OCCO2 ZINC000006948134 415138531 /nfs/dbraw/zinc/13/85/31/415138531.db2.gz YPTDPKXMXPKRHB-UHFFFAOYSA-N 0 0 318.329 0.960 50 0 DCAARN O=c1[nH]c(SCc2cccnc2)nc2c1cnn2CCO ZINC000007418088 415139455 /nfs/dbraw/zinc/13/94/55/415139455.db2.gz MAJFWQDBLCRCAT-UHFFFAOYSA-N 0 0 303.347 0.799 50 0 DCAARN Cc1nc2ccccc2n1Cc1nnc(SCC(N)=O)n1N ZINC000007465755 415140806 /nfs/dbraw/zinc/14/08/06/415140806.db2.gz DDZJAHWLQWNGRO-UHFFFAOYSA-N 0 0 317.378 0.276 50 0 DCAARN C[C@@H](O)Cn1c2c(nc1N1CCC(C)CC1)n(C)c(=O)[nH]c2=O ZINC000007425535 415141677 /nfs/dbraw/zinc/14/16/77/415141677.db2.gz UMXVCPKHBMDVJD-SNVBAGLBSA-N 0 0 321.381 0.040 50 0 DCAARN CO[C@@H]1C[C@@H](OC(C)=O)[C@@H]([C@H](COC(C)=O)OC(C)=O)O1 ZINC000025627550 415164196 /nfs/dbraw/zinc/16/41/96/415164196.db2.gz UMNNUAUVUHIZGG-VOAKCMCISA-N 0 0 304.295 0.174 50 0 DCAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000026112014 415165430 /nfs/dbraw/zinc/16/54/30/415165430.db2.gz HMFBYJNTRPEONB-UHFFFAOYSA-N 0 0 305.359 0.664 50 0 DCAARN CCc1cc2c(ncn(CCC(=O)NC(=O)NC)c2=O)s1 ZINC000026112036 415165455 /nfs/dbraw/zinc/16/54/55/415165455.db2.gz VEJUIGJTPVEOCE-UHFFFAOYSA-N 0 0 308.363 0.866 50 0 DCAARN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCC1CCC1 ZINC000026139500 415166445 /nfs/dbraw/zinc/16/64/45/415166445.db2.gz XBQMZFOJBYZLIL-UHFFFAOYSA-N 0 0 301.346 0.996 50 0 DCAARN COc1ccc2c(CCNc3nnc(C)c(=O)n3N)c[nH]c2c1 ZINC000027526464 415173729 /nfs/dbraw/zinc/17/37/29/415173729.db2.gz KPCVNJSYGWEPBW-UHFFFAOYSA-N 0 0 314.349 0.805 50 0 DCAARN Cn1cc(S(=O)(=O)NCCCOC[C@H]2CCCO2)cn1 ZINC000040528072 415196404 /nfs/dbraw/zinc/19/64/04/415196404.db2.gz OASFLLMQQCGRHC-LLVKDONJSA-N 0 0 303.384 0.284 50 0 DCAARN CCN(CC)c1ccc(CNC(=O)[C@H](C)S(C)(=O)=O)cn1 ZINC000044952580 415237302 /nfs/dbraw/zinc/23/73/02/415237302.db2.gz HLHINTFMGMKELN-NSHDSACASA-N 0 0 313.423 0.977 50 0 DCAARN O=C(NCc1ccoc1)NC[C@H]([C@H]1CCOC1)N1CCOCC1 ZINC000044967829 415240057 /nfs/dbraw/zinc/24/00/57/415240057.db2.gz HTVQNXXMENSRCR-LSDHHAIUSA-N 0 0 323.393 0.816 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)N(C[C@H]1CCOC1)C1CC1 ZINC000044968223 415240111 /nfs/dbraw/zinc/24/01/11/415240111.db2.gz GEQFVISXVBXTQG-VXGBXAGGSA-N 0 0 316.423 0.632 50 0 DCAARN C[C@@H]1CO[C@@H](C)CN1C(=O)Cn1nnn(-c2cccs2)c1=O ZINC000045525251 415248367 /nfs/dbraw/zinc/24/83/67/415248367.db2.gz OIKGQVBBEHXMTR-ZJUUUORDSA-N 0 0 323.378 0.126 50 0 DCAARN C[C@H]1CCCN(S(=O)(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000045797416 415250368 /nfs/dbraw/zinc/25/03/68/415250368.db2.gz KXMJSFCJBHFMIF-ZDUSSCGKSA-N 0 0 319.471 0.664 50 0 DCAARN NC(=O)CN1CCC(NC(=O)N2CCc3ccccc3C2)CC1 ZINC000045608492 415251202 /nfs/dbraw/zinc/25/12/02/415251202.db2.gz NBRRIHRMVFZDMP-UHFFFAOYSA-N 0 0 316.405 0.704 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC000046183231 415254601 /nfs/dbraw/zinc/25/46/01/415254601.db2.gz KFUJEOBBVHOTHW-GFCCVEGCSA-N 0 0 304.412 0.486 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)[C@]2(C)CC2(Cl)Cl)CC1 ZINC000046448966 415260343 /nfs/dbraw/zinc/26/03/43/415260343.db2.gz RMULPAOPXFMXML-LBPRGKRZSA-N 0 0 322.236 0.897 50 0 DCAARN CS(=O)(=O)c1ccc(C(=O)N(CC(N)=O)C2CCCC2)cc1 ZINC000047236425 415267154 /nfs/dbraw/zinc/26/71/54/415267154.db2.gz IXJHMKMQMTVPAK-UHFFFAOYSA-N 0 0 324.402 0.960 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC000332179569 415281824 /nfs/dbraw/zinc/28/18/24/415281824.db2.gz WEUDTYVRLOTQCM-LPEHRKFASA-N 0 0 310.366 0.866 50 0 DCAARN Cc1cn(CC(=O)Nc2cn(C)nn2)nc1-c1ccnn1C ZINC000048071937 415283539 /nfs/dbraw/zinc/28/35/39/415283539.db2.gz IJFBXUQZJDDHPU-UHFFFAOYSA-N 0 0 300.326 0.359 50 0 DCAARN Cc1ccc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)s1 ZINC000044457610 415222452 /nfs/dbraw/zinc/22/24/52/415222452.db2.gz CVCYUZWBRLKENZ-SECBINFHSA-N 0 0 309.434 0.770 50 0 DCAARN NC(=O)[C@H]1CCCCN1CC(=O)NCCOc1ccccc1 ZINC000044871314 415227913 /nfs/dbraw/zinc/22/79/13/415227913.db2.gz UMTHWDIEHMWJMJ-CQSZACIVSA-N 0 0 305.378 0.521 50 0 DCAARN O=S(=O)(N1CCOCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000044896150 415231035 /nfs/dbraw/zinc/23/10/35/415231035.db2.gz YZAVXPRMMZUIHE-SECBINFHSA-N 0 0 302.318 0.838 50 0 DCAARN Cc1cc(CN(C)C(=O)[C@H]2CCCN2S(C)(=O)=O)no1 ZINC000044916698 415231470 /nfs/dbraw/zinc/23/14/70/415231470.db2.gz MVQLRJNWNFZYHO-LLVKDONJSA-N 0 0 301.368 0.365 50 0 DCAARN O=C(NCc1ccc(Cn2cncn2)cc1)N1CCOCC1 ZINC000048236230 415286344 /nfs/dbraw/zinc/28/63/44/415286344.db2.gz PWJZVQMYLXYZAG-UHFFFAOYSA-N 0 0 301.350 0.868 50 0 DCAARN CCS(=O)(=O)NCCNC(=O)[C@@H](C)OCC(F)(F)F ZINC000048302919 415288970 /nfs/dbraw/zinc/28/89/70/415288970.db2.gz SIASHKNHTPWIRS-SSDOTTSWSA-N 0 0 306.306 0.009 50 0 DCAARN O=C1NC(=O)C2(CCN(S(=O)(=O)c3cccs3)CC2)N1 ZINC000048433973 415291265 /nfs/dbraw/zinc/29/12/65/415291265.db2.gz ZXQLYTVEJIZHLN-UHFFFAOYSA-N 0 0 315.376 0.111 50 0 DCAARN O=C(NCCCN1CCOCC1)c1ccnc(-n2ccnc2)c1 ZINC000048313344 415291651 /nfs/dbraw/zinc/29/16/51/415291651.db2.gz YVXBPQJZEYRASZ-UHFFFAOYSA-N 0 0 315.377 0.719 50 0 DCAARN C[C@@H](NC(=O)C1=NNC(=O)CC1)c1nnc2n1CCCCC2 ZINC000048355942 415292657 /nfs/dbraw/zinc/29/26/57/415292657.db2.gz TWGOWQJJFIIQGV-SECBINFHSA-N 0 0 304.354 0.448 50 0 DCAARN NC(=O)[C@@H]1CN(c2ncnc3sc4c(c32)CCCC4)CCN1 ZINC000057396053 415337868 /nfs/dbraw/zinc/33/78/68/415337868.db2.gz SZXFQHKQCKWWOZ-JTQLQIEISA-N 0 0 317.418 0.834 50 0 DCAARN Cc1cc([C@@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)no1 ZINC000071797380 415408782 /nfs/dbraw/zinc/40/87/82/415408782.db2.gz QACBCEUBKRPYBW-ZDUSSCGKSA-N 0 0 304.350 0.718 50 0 DCAARN CCOCC(=O)N1CCc2c(nc(N(C)C)nc2N(C)C)C1 ZINC000071755261 415408957 /nfs/dbraw/zinc/40/89/57/415408957.db2.gz QUXLWBHQMIRFPF-UHFFFAOYSA-N 0 0 307.398 0.530 50 0 DCAARN C[C@]12CSCC(=O)N1[C@@H](C(=O)N1CCOCC1)CS2 ZINC000071815222 415409113 /nfs/dbraw/zinc/40/91/13/415409113.db2.gz XZVYAIPKCJFSKM-SKDRFNHKSA-N 0 0 302.421 0.252 50 0 DCAARN C[C@@]12CSCC(=O)N1[C@H](C(=O)N1CCOCC1)CS2 ZINC000071815219 415410462 /nfs/dbraw/zinc/41/04/62/415410462.db2.gz XZVYAIPKCJFSKM-JOYOIKCWSA-N 0 0 302.421 0.252 50 0 DCAARN CN1C(=O)CO[C@H](C(=O)N2CCOCC2)[C@H]1c1cccc(F)c1 ZINC000072241698 415410515 /nfs/dbraw/zinc/41/05/15/415410515.db2.gz LZZIJJSRWFKBKG-CABCVRRESA-N 0 0 322.336 0.583 50 0 DCAARN COCc1cc(=O)n(CC(=O)NC(C)C)c(N2CCCC2)n1 ZINC000067256958 415375222 /nfs/dbraw/zinc/37/52/22/415375222.db2.gz XLOUMJIAMSKYPH-UHFFFAOYSA-N 0 0 308.382 0.515 50 0 DCAARN CN(C)S(=O)(=O)CCNC(=O)Cn1cc2ccccc2n1 ZINC000067473014 415380941 /nfs/dbraw/zinc/38/09/41/415380941.db2.gz WCWOKDZYPLOEHV-UHFFFAOYSA-N 0 0 310.379 0.044 50 0 DCAARN C[N@@H+]1CCC[C@H]1CCn1ccc2[nH]c(=O)c(C(=O)[O-])cc2c1=O ZINC000067966137 415389936 /nfs/dbraw/zinc/38/99/36/415389936.db2.gz CRYMFSIPMGRFHO-JTQLQIEISA-N 0 0 317.345 0.872 50 0 DCAARN CNC(=O)C[C@H]1C(=O)NCCN1Cc1cc2ccccc2[nH]1 ZINC000067851100 415389972 /nfs/dbraw/zinc/38/99/72/415389972.db2.gz LEICAPRDWHZHLZ-AWEZNQCLSA-N 0 0 300.362 0.604 50 0 DCAARN Cc1nn2c(nc(C)cc2C)c1C(=O)NC[C@H]1COCCO1 ZINC000084109758 415493077 /nfs/dbraw/zinc/49/30/77/415493077.db2.gz ACMFKPLYDXZBAE-LBPRGKRZSA-N 0 0 304.350 0.800 50 0 DCAARN COCCCNC(=O)[C@@H](C)N1CCN(c2ncccc2F)CC1 ZINC000084486046 415497231 /nfs/dbraw/zinc/49/72/31/415497231.db2.gz YDAIEURYGFQGEH-CYBMUJFWSA-N 0 0 324.400 0.884 50 0 DCAARN CC[C@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H]1N1CCOCC1 ZINC000084735832 415501092 /nfs/dbraw/zinc/50/10/92/415501092.db2.gz ZKVVYIBXJFJQCP-HOTGVXAUSA-N 0 0 320.437 0.922 50 0 DCAARN CCn1cncc1S(=O)(=O)NCCNC(=O)c1ccccc1 ZINC000075093742 415434264 /nfs/dbraw/zinc/43/42/64/415434264.db2.gz MGJKOSGLLSSNNM-UHFFFAOYSA-N 0 0 322.390 0.611 50 0 DCAARN O=C(NC[C@@H](O)c1ccoc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000075171952 415440958 /nfs/dbraw/zinc/44/09/58/415440958.db2.gz XRNRPEYBQIQRNW-LLVKDONJSA-N 0 0 318.285 0.797 50 0 DCAARN O=C1[C@H](n2cc(Cl)c(=O)[nH]c2=O)CCN1CC(F)(F)F ZINC000085253156 415504366 /nfs/dbraw/zinc/50/43/66/415504366.db2.gz BDONVEHFNJRHHM-ZCFIWIBFSA-N 0 0 311.647 0.526 50 0 DCAARN Cc1noc(-c2nn(C)c3c2CN(C(=O)[C@H]2CCCO2)CC3)n1 ZINC000096124760 415575318 /nfs/dbraw/zinc/57/53/18/415575318.db2.gz WUGIQVKOIMDETN-GFCCVEGCSA-N 0 0 317.349 0.842 50 0 DCAARN COCCN1CCC[C@@]2(CCN(Cc3nc(C)nn3C)C2)C1=O ZINC000091934533 415540999 /nfs/dbraw/zinc/54/09/99/415540999.db2.gz YGDDHHSABCVMRP-INIZCTEOSA-N 0 0 321.425 0.584 50 0 DCAARN Cc1cc(C)c2c(ncnc2NCCN(C)S(C)(=O)=O)n1 ZINC000095372321 415553919 /nfs/dbraw/zinc/55/39/19/415553919.db2.gz ZONMSXKTSAACRC-UHFFFAOYSA-N 0 0 309.395 0.945 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000095360759 415555037 /nfs/dbraw/zinc/55/50/37/415555037.db2.gz KLYSZPIUXVRPKJ-JSGCOSHPSA-N 0 0 317.389 0.637 50 0 DCAARN CCN1C[C@H](C(=O)N(C)CCc2noc(C3CC3)n2)CC1=O ZINC000095369723 415555248 /nfs/dbraw/zinc/55/52/48/415555248.db2.gz RGGCRSGTIPFNME-LLVKDONJSA-N 0 0 306.366 0.816 50 0 DCAARN Cc1cccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])n1 ZINC000095358184 415555498 /nfs/dbraw/zinc/55/54/98/415555498.db2.gz MPXYBHLYBIWRRE-ZDUSSCGKSA-N 0 0 303.362 0.945 50 0 DCAARN CN(C)c1cnn(CCS(=O)(=O)c2ccccc2)c(=O)c1 ZINC000095374118 415557974 /nfs/dbraw/zinc/55/79/74/415557974.db2.gz JTTWWJYEIIWCMK-UHFFFAOYSA-N 0 0 307.375 0.783 50 0 DCAARN CCS(=O)(=O)CCNC(=O)[C@@H](c1ccccc1F)N(C)C ZINC000095372711 415558214 /nfs/dbraw/zinc/55/82/14/415558214.db2.gz MZWUPRRLMDLEGA-CYBMUJFWSA-N 0 0 316.398 0.979 50 0 DCAARN CC(C)c1cc(N2CCN3C(=O)CN(C)C(=O)[C@@H]3C2)ncn1 ZINC000095383581 415558443 /nfs/dbraw/zinc/55/84/43/415558443.db2.gz LXZRTKCVXNRYLP-LBPRGKRZSA-N 0 0 303.366 0.089 50 0 DCAARN CC(=O)N1CCC[C@@H](C(=O)NCc2ncc3c(n2)CCC3)C1 ZINC000095375590 415559629 /nfs/dbraw/zinc/55/96/29/415559629.db2.gz MLUQWZAOLMRFGX-CYBMUJFWSA-N 0 0 302.378 0.840 50 0 DCAARN Cc1cc(S(=O)(=O)N2CCN(CCCO)CC2)c(C)o1 ZINC000095939410 415563220 /nfs/dbraw/zinc/56/32/20/415563220.db2.gz OWHUZMATXITALM-UHFFFAOYSA-N 0 0 302.396 0.585 50 0 DCAARN C[C@H](NC(=O)COCC(F)(F)F)C(=O)NCc1ccco1 ZINC000095956326 415563685 /nfs/dbraw/zinc/56/36/85/415563685.db2.gz WKPAZXZVONUABH-QMMMGPOBSA-N 0 0 308.256 0.979 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1CCOc1ccccc1F ZINC000095966227 415569715 /nfs/dbraw/zinc/56/97/15/415569715.db2.gz FMOAIEHCLDXMIU-LBPRGKRZSA-N 0 0 310.325 0.568 50 0 DCAARN Cc1occc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1C(N)=O ZINC000096012443 415571693 /nfs/dbraw/zinc/57/16/93/415571693.db2.gz IDQWNVYVVMSVST-NEPJUHHUSA-N 0 0 307.350 0.478 50 0 DCAARN CN(C)c1ncc(CNC(=O)N2CCOC[C@@H]2C2CC2)n1C ZINC000096485527 415580787 /nfs/dbraw/zinc/58/07/87/415580787.db2.gz KSOFRGVNZRMYMT-CYBMUJFWSA-N 0 0 307.398 0.807 50 0 DCAARN O=C(Cn1nc2cnccn2c1=O)N1CCc2sccc2C1 ZINC000097107152 415585782 /nfs/dbraw/zinc/58/57/82/415585782.db2.gz DGCFYTOJLLROMX-UHFFFAOYSA-N 0 0 315.358 0.537 50 0 DCAARN O=C(N[C@H]1C[C@H](CO)[C@@H](O)C1)c1ccc(Br)o1 ZINC000107286980 415664498 /nfs/dbraw/zinc/66/44/98/415664498.db2.gz URESZLFAHVMLPI-CSMHCCOUSA-N 0 0 304.140 0.904 50 0 DCAARN O=C(CN1CCCS1(=O)=O)Nc1cnn(-c2ccccc2)c1 ZINC000122305962 415828873 /nfs/dbraw/zinc/82/88/73/415828873.db2.gz NOYMIWFPNVNOMB-UHFFFAOYSA-N 0 0 320.374 0.846 50 0 DCAARN Cc1[nH][nH]c(=O)c1CC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000299783866 416067193 /nfs/dbraw/zinc/06/71/93/416067193.db2.gz GZCMGXSMVUNNIO-NSHDSACASA-N 0 0 316.365 0.129 50 0 DCAARN CNC(=O)[C@H]1CC[C@H](CNC(=O)c2cnc(N)nc2C)CC1 ZINC000299783756 416067669 /nfs/dbraw/zinc/06/76/69/416067669.db2.gz YCILDWLIOWUAAN-XYPYZODXSA-N 0 0 305.382 0.649 50 0 DCAARN O=C(CN1C(=O)CNC1=O)N1CC(OCc2cccc(F)c2)C1 ZINC000299775452 416067808 /nfs/dbraw/zinc/06/78/08/416067808.db2.gz FTGOJLAQTPZZDS-UHFFFAOYSA-N 0 0 321.308 0.105 50 0 DCAARN NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccc(Cl)cn2)C1 ZINC000299800233 416071445 /nfs/dbraw/zinc/07/14/45/416071445.db2.gz ULBXMPASRDGRLQ-QMMMGPOBSA-N 0 0 303.771 0.486 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H]2CCCN2C2CC2)CCS(=O)(=O)C1 ZINC000330224160 416197558 /nfs/dbraw/zinc/19/75/58/416197558.db2.gz NNGIBPFYYWNXSQ-YPMHNXCESA-N 0 0 300.424 0.506 50 0 DCAARN Nc1nnc(CNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)o1 ZINC000330612891 416219139 /nfs/dbraw/zinc/21/91/39/416219139.db2.gz XYOHERDLOPUWAN-ZETCQYMHSA-N 0 0 307.276 0.542 50 0 DCAARN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000331201781 416284759 /nfs/dbraw/zinc/28/47/59/416284759.db2.gz XBEOSKDFZWAJIZ-MHEUCROKSA-N 0 0 312.410 0.680 50 0 DCAARN CCNC(=O)[C@H](C)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000248380598 416333253 /nfs/dbraw/zinc/33/32/53/416333253.db2.gz QOMRDOZGBRMDLO-QJPTWQEYSA-N 0 0 323.393 0.193 50 0 DCAARN COCCn1ccc(C(=O)N[C@@H]2CN(c3ccccc3)C2=O)n1 ZINC000253430936 416334686 /nfs/dbraw/zinc/33/46/86/416334686.db2.gz YOAIGERFALWQBJ-CQSZACIVSA-N 0 0 314.345 0.675 50 0 DCAARN C[C@]12CCCN1C(=O)N([C@H]1CCN(CC(F)(F)F)C1=O)C2=O ZINC000253420083 416334826 /nfs/dbraw/zinc/33/48/26/416334826.db2.gz DCEMTGLOPJIZEK-QPUJVOFHSA-N 0 0 319.283 0.966 50 0 DCAARN O=C(CC1(n2cccc2)CCOCC1)NCCN1CCOCC1 ZINC000263587584 416338303 /nfs/dbraw/zinc/33/83/03/416338303.db2.gz IQTJZRUILNGLMX-UHFFFAOYSA-N 0 0 321.421 0.832 50 0 DCAARN Cc1cnc(CNC(=O)c2ccc3c(c2)ncn(C)c3=O)cn1 ZINC000216214315 416327374 /nfs/dbraw/zinc/32/73/74/416327374.db2.gz SBHOXBCNUARHSG-UHFFFAOYSA-N 0 0 309.329 0.962 50 0 DCAARN CSCC[C@@H](O)C(=O)NCCc1nnc(-c2cccnc2)[nH]1 ZINC000216180089 416327408 /nfs/dbraw/zinc/32/74/08/416327408.db2.gz XDXMEEDTSIAVSJ-LLVKDONJSA-N 0 0 321.406 0.639 50 0 DCAARN NC(=O)NC(=O)CCN1C(=O)C[C@]2(CCc3ccccc32)C1=O ZINC000241157237 416330084 /nfs/dbraw/zinc/33/00/84/416330084.db2.gz JWAHFUDDSVNJSE-INIZCTEOSA-N 0 0 315.329 0.215 50 0 DCAARN CN(CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1cc[nH]n1 ZINC000243902133 416330500 /nfs/dbraw/zinc/33/05/00/416330500.db2.gz BGNCMMPHGBVQNR-UHFFFAOYSA-N 0 0 301.350 0.969 50 0 DCAARN O=C(N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1)c1cnco1 ZINC000244734586 416330658 /nfs/dbraw/zinc/33/06/58/416330658.db2.gz NIIGYCDHFKTVQW-KYZUINATSA-N 0 0 303.322 0.769 50 0 DCAARN O=C(NCCN1CCNC1=O)c1ccc(N2CCOCC2)cc1 ZINC000244659752 416330785 /nfs/dbraw/zinc/33/07/85/416330785.db2.gz HIBHVEKNSFWKCU-UHFFFAOYSA-N 0 0 318.377 0.278 50 0 DCAARN COCCn1nnnc1[C@H]1CN(CCCc2ccco2)CCO1 ZINC000244748659 416330940 /nfs/dbraw/zinc/33/09/40/416330940.db2.gz OLXZZWATWDHWPB-CQSZACIVSA-N 0 0 321.381 0.919 50 0 DCAARN O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ccn2nnnc2c1 ZINC000244718796 416331004 /nfs/dbraw/zinc/33/10/04/416331004.db2.gz LQYREXAYOFGQFR-TYNCELHUSA-N 0 0 324.344 0.761 50 0 DCAARN Cc1nc2c(c(=O)n1C)CN(C(=O)COC[C@H]1CCCCO1)C2 ZINC000244840300 416331046 /nfs/dbraw/zinc/33/10/46/416331046.db2.gz UKQAFLBZMBMKCV-GFCCVEGCSA-N 0 0 321.377 0.517 50 0 DCAARN COc1ccc(C[NH+]2CC(C(=O)[O-])C2)cc1Cn1cncn1 ZINC000244817173 416331167 /nfs/dbraw/zinc/33/11/67/416331167.db2.gz SVLYSLGEQSSNCC-UHFFFAOYSA-N 0 0 302.334 0.851 50 0 DCAARN O=C(NC[C@@H](O)CN1CCOCC1)C1(C(F)(F)F)CCCC1 ZINC000416135846 416360136 /nfs/dbraw/zinc/36/01/36/416360136.db2.gz KXFQRQXQLWZVGJ-LLVKDONJSA-N 0 0 324.343 0.918 50 0 DCAARN CO[C@@H]1CN(C(=O)COc2ccccc2F)C[C@H]1c1cn[nH]n1 ZINC000585114235 416518758 /nfs/dbraw/zinc/51/87/58/416518758.db2.gz IVYUBEQMBMWION-IINYFYTJSA-N 0 0 320.324 0.964 50 0 DCAARN CCc1cccc(NC(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c1 ZINC000585120086 416518836 /nfs/dbraw/zinc/51/88/36/416518836.db2.gz PTKZPKXBDCFBGB-VXGBXAGGSA-N 0 0 304.350 0.300 50 0 DCAARN CNc1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1F ZINC000585132022 416519565 /nfs/dbraw/zinc/51/95/65/416519565.db2.gz MWOCAWDEIOUWPC-LBPRGKRZSA-N 0 0 311.357 0.290 50 0 DCAARN COc1cccc(-n2cc(NC(=O)[C@H]3COCCO3)nn2)c1 ZINC000585125752 416519997 /nfs/dbraw/zinc/51/99/97/416519997.db2.gz DQLLRQCEEDITKQ-GFCCVEGCSA-N 0 0 304.306 0.630 50 0 DCAARN Cc1cc(C)n(CCNc2cc([C@H]3CCOC3)nc(N)n2)n1 ZINC000426628791 416776985 /nfs/dbraw/zinc/77/69/85/416776985.db2.gz QLNQTEGMDGKNOZ-LBPRGKRZSA-N 0 0 302.382 0.910 50 0 DCAARN Cc1cn2nc(N[C@@H]3CCN(C(=O)C4CC(=O)C4)C3)ccc2n1 ZINC000408514223 417166038 /nfs/dbraw/zinc/16/60/38/417166038.db2.gz TXEVWJARNIPSKO-GFCCVEGCSA-N 0 0 313.361 1.030 50 0 DCAARN Cc1conc1NC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000571691848 417452102 /nfs/dbraw/zinc/45/21/02/417452102.db2.gz PTBZMMYOSNABRV-ZIAGYGMSSA-N 0 0 315.329 1.520 50 0 DCAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@@]1(O)CCOC1 ZINC000575415597 417535572 /nfs/dbraw/zinc/53/55/72/417535572.db2.gz FDMNFFIAZOEMHD-ZDUSSCGKSA-N 0 0 317.411 0.511 50 0 DCAARN Cn1cccc(C(=O)NCc2cn(-c3cccs3)nn2)c1=O ZINC000575617907 417540793 /nfs/dbraw/zinc/54/07/93/417540793.db2.gz XVNUQJRFCFRGQV-UHFFFAOYSA-N 0 0 315.358 0.958 50 0 DCAARN O=C(NCCn1nc2c(cc1=O)CCC2)NC[C@H]1CCCO1 ZINC000575609320 417541251 /nfs/dbraw/zinc/54/12/51/417541251.db2.gz VUMXPXLAHPDPIO-GFCCVEGCSA-N 0 0 306.366 0.210 50 0 DCAARN Cc1noc(CCCNC(=O)Cn2nc(C3CC3)ccc2=O)n1 ZINC000575618539 417541464 /nfs/dbraw/zinc/54/14/64/417541464.db2.gz CHVRZSCMSTYULP-UHFFFAOYSA-N 0 0 317.349 0.561 50 0 DCAARN O=C(NCc1ccc(F)cc1)N1CC(CN2C(=O)COC2=O)C1 ZINC000575617668 417541909 /nfs/dbraw/zinc/54/19/09/417541909.db2.gz ZJDHXBOQAUVSIL-UHFFFAOYSA-N 0 0 321.308 0.946 50 0 DCAARN Cn1cc(C(=O)N[C@@]2(CO)COc3ccccc3C2)ccc1=O ZINC000529824280 417513555 /nfs/dbraw/zinc/51/35/55/417513555.db2.gz YJYJMGLOENBDTK-KRWDZBQOSA-N 0 0 314.341 0.481 50 0 DCAARN Cc1cc(C(=O)NCCN2CCCOC2=O)c(=O)n(C)c1C ZINC000299756631 229401031 /nfs/dbraw/zinc/40/10/31/229401031.db2.gz GFBCFXHWJZYHOM-UHFFFAOYSA-N 0 0 307.350 0.574 50 0 DCAARN COCCn1cnnc1CNC(=O)CCc1c(C)noc1C ZINC000299802837 229463898 /nfs/dbraw/zinc/46/38/98/229463898.db2.gz QYJXZHFTOSPIIX-UHFFFAOYSA-N 0 0 307.354 0.778 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCN(C(=O)Cn2ccc3ccccc32)C1 ZINC000299801872 229463964 /nfs/dbraw/zinc/46/39/64/229463964.db2.gz ZVRYPDHTXLFWGM-GFCCVEGCSA-N 0 0 321.402 0.778 50 0 DCAARN COC(=O)C1=C[C@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)NN1 ZINC000000507248 277051388 /nfs/dbraw/zinc/05/13/88/277051388.db2.gz ZRRPDEBQUBBBAS-CQSZACIVSA-N 0 0 321.720 0.864 50 0 DCAARN CC(=O)[C@@H]1[C@@H](c2cccnc2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000023633540 277097588 /nfs/dbraw/zinc/09/75/88/277097588.db2.gz BIEHCHUXQPTPAS-KKZNHRDASA-N 0 0 303.240 0.892 50 0 DCAARN C[C@H]1CCCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000016642094 278338901 /nfs/dbraw/zinc/33/89/01/278338901.db2.gz MSFMKFDTEQOLSA-NSHDSACASA-N 0 0 309.391 0.743 50 0 DCAARN Cc1cn2c3c(nc2n1C(C)C)n(C)c(=O)n(CCCO)c3=O ZINC000004370472 279004749 /nfs/dbraw/zinc/00/47/49/279004749.db2.gz DXSSOHXPBAYLKW-UHFFFAOYSA-N 0 0 319.365 0.421 50 0 DCAARN CC(C)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCc2nnnn2CC1 ZINC000328598736 279202481 /nfs/dbraw/zinc/20/24/81/279202481.db2.gz OGQMAGUNHWZBLV-NEPJUHHUSA-N 0 0 320.397 0.839 50 0 DCAARN C[C@H]1Cn2c(nc3c2c(=O)[nH]c(=O)n3C)N(Cc2ccco2)C1 ZINC000004249322 280036388 /nfs/dbraw/zinc/03/63/88/280036388.db2.gz LXQLRVXVDQASAG-SECBINFHSA-N 0 0 315.333 0.673 50 0 DCAARN C[C@H]1Oc2ccc(NC(=O)C3=NN(C)C(=O)CC3)cc2NC1=O ZINC000032836955 280080456 /nfs/dbraw/zinc/08/04/56/280080456.db2.gz KGUBEJGOCSQXQG-MRVPVSSYSA-N 0 0 316.317 0.953 50 0 DCAARN O=C1CCC(=O)N1c1cc(=O)[nH]c2nc(-c3ccccc3)nn21 ZINC000009359489 280249526 /nfs/dbraw/zinc/24/95/26/280249526.db2.gz FEVXUGVMJRLRLF-UHFFFAOYSA-N 0 0 309.285 0.738 50 0 DCAARN CC[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1N1CCOCC1 ZINC000299754172 280377805 /nfs/dbraw/zinc/37/78/05/280377805.db2.gz KCFNHNLSFLDWAK-QLFBSQMISA-N 0 0 323.437 0.424 50 0 DCAARN CC[C@H]1CN(C(=O)[C@H](CC(C)C)NS(C)(=O)=O)CCO1 ZINC000040512934 288268362 /nfs/dbraw/zinc/26/83/62/288268362.db2.gz XBVZUGOCFSLXMD-RYUDHWBXSA-N 0 0 306.428 0.588 50 0 DCAARN CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c3nc[nH]c4=S)[C@H]2O1 ZINC000101133086 281418190 /nfs/dbraw/zinc/41/81/90/281418190.db2.gz HXZCOKXEDYVENB-QRKAXHLRSA-N 0 0 324.362 0.525 50 0 DCAARN CN1CC(=O)N2CCN(C(=O)NC3CCCCC3)C[C@@H]2C1=O ZINC000014532711 289864945 /nfs/dbraw/zinc/86/49/45/289864945.db2.gz OJBWPCCLSBDNBB-GFCCVEGCSA-N 0 0 308.382 0.014 50 0 DCAARN Cc1csc(NC(=O)Cn2cnc3c(cnn3C)c2=O)n1 ZINC000008747975 293042102 /nfs/dbraw/zinc/04/21/02/293042102.db2.gz DIXNPNRFPUDCBR-UHFFFAOYSA-N 0 0 304.335 0.534 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)c2cnnn2C)[C@H](c2ccccc2)CO1 ZINC000330159123 297068324 /nfs/dbraw/zinc/06/83/24/297068324.db2.gz QJNYJASQIZXVLI-YPMHNXCESA-N 0 0 322.390 0.966 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](O)CN1c1ncnc2sc3c(c21)CCC3 ZINC000012850463 295126627 /nfs/dbraw/zinc/12/66/27/295126627.db2.gz WGORHNVUNUUFRW-APPZFPTMSA-N 0 0 304.375 0.605 50 0 DCAARN COc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C ZINC000004502183 295386306 /nfs/dbraw/zinc/38/63/06/295386306.db2.gz LUPYKSNPCVYYFY-JTQLQIEISA-N 0 0 315.329 0.567 50 0 DCAARN Cc1cc(NC(=O)N[C@H](C)c2n[nH]c(=O)[n-]2)n(CC[NH+](C)C)n1 ZINC000097323941 301355246 /nfs/dbraw/zinc/35/52/46/301355246.db2.gz PPCLLTOXUPYSEE-SECBINFHSA-N 0 0 322.373 0.047 50 0 DCAARN Cc1cc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)no1 ZINC000095955024 301355688 /nfs/dbraw/zinc/35/56/88/301355688.db2.gz CLMAHKYNWLXUPS-VIFPVBQESA-N 0 0 302.356 0.529 50 0 DCAARN O=C(C(=O)N1CCCCC[C@H]1CO)N1CCCCC[C@@H]1CO ZINC000003151596 303531716 /nfs/dbraw/zinc/53/17/16/303531716.db2.gz FIBDBROHXNQXNB-OKILXGFUSA-N 0 0 312.410 0.513 50 0 DCAARN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000332770914 332867664 /nfs/dbraw/zinc/86/76/64/332867664.db2.gz ASMPDLJUFAUGAY-QJPTWQEYSA-N 0 0 320.397 0.115 50 0 DCAARN CCCn1c(=O)[nH]nc1S[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000008183936 331505968 /nfs/dbraw/zinc/50/59/68/331505968.db2.gz GXJGTEFDXOKHPV-ZJUUUORDSA-N 0 0 314.411 0.757 50 0 DCAARN CCO[C@H]1COC[C@@H]1NC(=O)c1cc(-c2cccn2C)n[nH]1 ZINC000534575305 334287684 /nfs/dbraw/zinc/28/76/84/334287684.db2.gz PVRNOQQTXJCDNZ-JSGCOSHPSA-N 0 0 304.350 0.949 50 0 DCAARN Cc1cnn([C@H](C)CNC(=O)CN2C(=O)NC(=O)C2(C)C)c1 ZINC000534637776 334310009 /nfs/dbraw/zinc/31/00/09/334310009.db2.gz FDEPEBGSMCLKNW-SNVBAGLBSA-N 0 0 307.354 0.199 50 0 DCAARN COc1ccccc1OC1CN(C(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000534640817 334311048 /nfs/dbraw/zinc/31/10/48/334311048.db2.gz XOMBXFKWGUVSHT-NSHDSACASA-N 0 0 321.377 0.945 50 0 DCAARN CCN1C[C@H](NS(=O)(=O)c2ccc3[nH]cnc3c2)[C@@H](OC)C1 ZINC000534651172 334311840 /nfs/dbraw/zinc/31/18/40/334311840.db2.gz FXYACIXQMSFPHO-KBPBESRZSA-N 0 0 324.406 0.560 50 0 DCAARN CS(=O)(=O)NCC(=O)NCC1(COc2ccccc2)CC1 ZINC000534658837 334314972 /nfs/dbraw/zinc/31/49/72/334314972.db2.gz OWKGUQZRTXMXEL-UHFFFAOYSA-N 0 0 312.391 0.511 50 0 DCAARN CCc1nc(S(=O)(=O)N[C@@H]2CCCN(C(C)=O)C2)c[nH]1 ZINC000534662183 334322269 /nfs/dbraw/zinc/32/22/69/334322269.db2.gz SAFBNPAQYWTGPJ-SNVBAGLBSA-N 0 0 300.384 0.261 50 0 DCAARN CC(C)NS(=O)(=O)NCCNC(=O)C1CCCCCC1 ZINC000390835110 337383785 /nfs/dbraw/zinc/38/37/85/337383785.db2.gz CWFWFTOWJPXHAC-UHFFFAOYSA-N 0 0 305.444 0.905 50 0 DCAARN Cc1cc(S(=O)(=O)NCCOCC(N)=O)sc1Cl ZINC000188104011 525409608 /nfs/dbraw/zinc/40/96/08/525409608.db2.gz FZBHTZASHOZXSZ-UHFFFAOYSA-N 0 0 312.800 0.490 50 0 DCAARN CC(C)(C)c1ccc(C(=O)NCC(=O)N[C@H](CO)CCO)cc1 ZINC000408515494 526765784 /nfs/dbraw/zinc/76/57/84/526765784.db2.gz YYHZMGZKMYFUHX-AWEZNQCLSA-N 0 0 322.405 0.573 50 0 DCAARN CCCCS(=O)(=O)N1CCN(C)[C@H](c2nccn2C)C1 ZINC000328587572 528716164 /nfs/dbraw/zinc/71/61/64/528716164.db2.gz BTRMFIRYAJRHKA-LBPRGKRZSA-N 0 0 300.428 0.839 50 0 DCAARN Cc1cc2nc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc(C)n2n1 ZINC000082310424 545696384 /nfs/dbraw/zinc/69/63/84/545696384.db2.gz NFIXOUBCZBQRPB-SNVBAGLBSA-N 0 0 308.363 0.263 50 0 DCAARN CN(C)C(=O)C1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC000083843990 545698393 /nfs/dbraw/zinc/69/83/93/545698393.db2.gz FSVAAFRNUCVMIO-UHFFFAOYSA-N 0 0 317.389 0.804 50 0 DCAARN O=C([O-])COc1ccc(C[N@H+]2CCC[C@@](O)(CO)CC2)cc1 ZINC000215954090 545938656 /nfs/dbraw/zinc/93/86/56/545938656.db2.gz XALTWITZZUGQFM-INIZCTEOSA-N 0 0 309.362 0.859 50 0 DCAARN COc1cc(CNC(=O)[C@H]2C[NH2+]CCO2)cc(OC)c1OC ZINC000216016213 545939011 /nfs/dbraw/zinc/93/90/11/545939011.db2.gz KICMRSHMIASSTD-CYBMUJFWSA-N 0 0 310.350 0.317 50 0 DCAARN CC[C@@H](NC(=O)CCn1ccc(=O)[nH]c1=O)c1cccc(C)n1 ZINC000222696278 545941225 /nfs/dbraw/zinc/94/12/25/545941225.db2.gz UHYUPUUKRFGEND-GFCCVEGCSA-N 0 0 316.361 0.898 50 0 DCAARN O=C(CSc1ccccn1)N1C[C@H](O)[C@@H](N2CCOCC2)C1 ZINC000222662665 545941914 /nfs/dbraw/zinc/94/19/14/545941914.db2.gz KVBBOOOFLXTTJT-STQMWFEESA-N 0 0 323.418 0.078 50 0 DCAARN Cn1ccnc(NC[C@@H](CO)Cc2ccncc2Cl)c1=O ZINC000585092265 546303295 /nfs/dbraw/zinc/30/32/95/546303295.db2.gz MFTLDNGGESUHQJ-JTQLQIEISA-N 0 0 308.769 1.092 50 0 DCAARN COCc1nc(C)cc(N2CCN(c3n[nH]c(C)n3)CC2)n1 ZINC000585092749 546303468 /nfs/dbraw/zinc/30/34/68/546303468.db2.gz MJQIQMCRGAOAPL-UHFFFAOYSA-N 0 0 303.370 0.685 50 0 DCAARN CN(C)C(=O)c1cncc(N2CCC3(CNC(=O)O3)CC2)n1 ZINC000670434638 547088124 /nfs/dbraw/zinc/08/81/24/547088124.db2.gz HOYBILOVOHCELE-UHFFFAOYSA-N 0 0 305.338 0.257 50 0 DCAARN Cc1cccc(NC(=O)CCNC(=O)CNC(=O)N(C)C)c1 ZINC000670440847 547091244 /nfs/dbraw/zinc/09/12/44/547091244.db2.gz XVHJHPSKLMHRIF-UHFFFAOYSA-N 0 0 306.366 0.711 50 0 DCAARN CN1C(=O)N(C)C2(CCN(Cc3nnc(C4CC4)o3)CC2)C1=O ZINC000670442300 547092602 /nfs/dbraw/zinc/09/26/02/547092602.db2.gz DNSKKQFYTZXBJH-UHFFFAOYSA-N 0 0 319.365 0.805 50 0 DCAARN Cn1nnnc1SCCNS(=O)(=O)CC1CCCC1 ZINC000670444497 547093472 /nfs/dbraw/zinc/09/34/72/547093472.db2.gz QNACXAALVNRKIP-UHFFFAOYSA-N 0 0 305.429 0.412 50 0 DCAARN C[C@](O)(CCCO)CNC(=O)CCN1CCCCCC1=O ZINC000670455956 547098150 /nfs/dbraw/zinc/09/81/50/547098150.db2.gz MREYWXZTCJTQAX-HNNXBMFYSA-N 0 0 300.399 0.419 50 0 DCAARN CC1(C)SC[C@@H](C(=O)N2CCC(C)(CO)CC2)NC1=O ZINC000670468350 547100186 /nfs/dbraw/zinc/10/01/86/547100186.db2.gz OSUDTJKNKMMTRD-JTQLQIEISA-N 0 0 300.424 0.618 50 0 DCAARN Cc1nccn1CCC[N@@H+]1C[C@@H](C(=O)N(C)C)CC[C@H]1C(=O)[O-] ZINC000685940320 548745953 /nfs/dbraw/zinc/74/59/53/548745953.db2.gz DPZLZASZQPEREO-KBPBESRZSA-N 0 0 322.409 0.835 50 0 DCAARN Cc1cc(CNC(=O)c2coc(CN3CC[C@@H](O)C3)n2)ccn1 ZINC000685941312 548746727 /nfs/dbraw/zinc/74/67/27/548746727.db2.gz AFBMZPPPMXQJPS-CYBMUJFWSA-N 0 0 316.361 0.875 50 0 DCAARN CC1=C(C(=O)N2CCC[C@@]3(CNC(=O)O3)C2)SC2=NCCN12 ZINC000222303050 563724563 /nfs/dbraw/zinc/72/45/63/563724563.db2.gz UNXYCIJPTCZUFV-CQSZACIVSA-N 0 0 322.390 0.737 50 0 DCAARN Cc1nn2cc(CNC(=O)CCn3nnnc3C)nc2s1 ZINC000222308100 563724567 /nfs/dbraw/zinc/72/45/67/563724567.db2.gz NERUCSWSOYELJZ-UHFFFAOYSA-N 0 0 306.355 0.101 50 0 DCAARN Cc1nc(N)nc(C)c1C(=O)O[C@H](C)C(=O)NCC(F)(F)F ZINC000888093350 661156619 /nfs/dbraw/zinc/15/66/19/661156619.db2.gz MPWNQZGSOCJZLH-SSDOTTSWSA-N 0 0 320.271 0.899 50 0 DCAARN CN1CCN(C(=O)Cn2nc3c(cc2=O)CCCCC3)CC1 ZINC000888103918 661191795 /nfs/dbraw/zinc/19/17/95/661191795.db2.gz KWEQEUVIHKDSGH-UHFFFAOYSA-N 0 0 304.394 0.286 50 0 DCAARN COc1cc(N2CCC[C@H](c3cc(=O)[nH]cn3)C2)nc(OC)n1 ZINC000023478329 658820921 /nfs/dbraw/zinc/82/09/21/658820921.db2.gz OMLUTUZJCAKUTH-JTQLQIEISA-N 0 0 317.349 0.961 50 0 DCAARN O=C(NCCc1cn2ccsc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000299759204 659640737 /nfs/dbraw/zinc/64/07/37/659640737.db2.gz BQJNKBGXPLKBRL-SECBINFHSA-N 0 0 313.404 0.489 50 0 DCAARN Cc1nn2c(=O)c(=Cc3cccc([N+](=O)[O-])c3)sc2nc1=O ZINC000254312566 661600951 /nfs/dbraw/zinc/60/09/51/661600951.db2.gz NKXYJDPECUBMHH-UHFFFAOYSA-N 0 0 316.298 0.276 50 0 DCAARN CCOC[C@@H](O)CNC(=O)Nc1cccc(CC(=O)NC)c1 ZINC000426538252 661608118 /nfs/dbraw/zinc/60/81/18/661608118.db2.gz BDQAANDETXFVTD-ZDUSSCGKSA-N 0 0 309.366 0.494 50 0 DCAARN C[C@@](O)(CNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1)C1CC1 ZINC000585090481 662949479 /nfs/dbraw/zinc/94/94/79/662949479.db2.gz RWNRUROLEAMXOU-XJKSGUPXSA-N 0 0 324.352 0.194 50 0 DCAARN Cn1c(CN2CCC[C@H](OCCO)C2)nc2ccccc2c1=O ZINC000172295892 664619330 /nfs/dbraw/zinc/61/93/30/664619330.db2.gz SYPOOVYLTBLCRW-ZDUSSCGKSA-N 0 0 317.389 0.907 50 0 DCAARN CCc1n[nH]c2c1CN(C(=O)Cc1cnc3ncnn3c1)CC2 ZINC000032533109 664669113 /nfs/dbraw/zinc/66/91/13/664669113.db2.gz CBKRCGOXZCGNLY-UHFFFAOYSA-N 0 0 311.349 0.537 50 0 DCAARN CN1CCN(C(=O)c2cn(Cc3ccccc3)nn2)C[C@@H]1CO ZINC000863981360 667204733 /nfs/dbraw/zinc/20/47/33/667204733.db2.gz ASVMQBUHCHKRMZ-CQSZACIVSA-N 0 0 315.377 0.075 50 0 DCAARN CS(=O)(=O)Cc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)o1 ZINC000112650577 668141251 /nfs/dbraw/zinc/14/12/51/668141251.db2.gz DVQXNCMBYUSDFF-VIFPVBQESA-N 0 0 324.362 0.161 50 0 DCAARN O=S(=O)(CCN1CCC([C@H](O)CO)CC1)c1ccccc1 ZINC001772702470 1157841727 /nfs/dbraw/zinc/84/17/27/1157841727.db2.gz SFDCXGZXZPJKHB-OAHLLOKOSA-N 0 0 313.419 0.526 50 0 DCAARN CSCC(=O)N1CCC(CNC(=O)[C@H]2CCOC2)CC1 ZINC000948735925 670169421 /nfs/dbraw/zinc/16/94/21/670169421.db2.gz WCRFPKPWSMBQOG-LBPRGKRZSA-N 0 0 300.424 0.741 50 0 DCAARN COc1ccnc(CN2CCc3nn(C)c(=O)cc3C2)c1OC ZINC000190612169 670466760 /nfs/dbraw/zinc/46/67/60/670466760.db2.gz CTCGOBAXKMDIIH-UHFFFAOYSA-N 0 0 316.361 0.751 50 0 DCAARN Cc1nc(C(=O)N[C@@H]2COC(=O)C2)nn1-c1ccc(F)cc1 ZINC000816676758 670837591 /nfs/dbraw/zinc/83/75/91/670837591.db2.gz PBJUFQBSKYFXOC-JTQLQIEISA-N 0 0 304.281 0.760 50 0 DCAARN COCCN(CCOC)C1CN(C(=O)O[C@H]2CCOC2)C1 ZINC000952964954 685598019 /nfs/dbraw/zinc/59/80/19/685598019.db2.gz YPMDVHYVFZZAAZ-ZDUSSCGKSA-N 0 0 302.371 0.191 50 0 DCAARN CNC(=O)CCc1ccccc1NC(=O)CCn1cnnc1 ZINC000952974145 685599689 /nfs/dbraw/zinc/59/96/89/685599689.db2.gz QJOMULWUAFZNDZ-UHFFFAOYSA-N 0 0 301.350 0.986 50 0 DCAARN NC(=O)CN1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccccn2)C1 ZINC000952971276 685599715 /nfs/dbraw/zinc/59/97/15/685599715.db2.gz XQXBTBUJBUTISY-DZGCQCFKSA-N 0 0 316.405 0.942 50 0 DCAARN CN(C)c1ncc(/C=C/C(=O)NCC(=O)N2CCCC2)cn1 ZINC000952971162 685599731 /nfs/dbraw/zinc/59/97/31/685599731.db2.gz ROBJGCPCBDOYOS-AATRIKPKSA-N 0 0 303.366 0.294 50 0 DCAARN CCc1csc(CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)n1 ZINC000952990226 685602677 /nfs/dbraw/zinc/60/26/77/685602677.db2.gz LRLLQVIITZYZRF-VIFPVBQESA-N 0 0 317.436 0.939 50 0 DCAARN CCC(=O)N1CCC(C(=O)NCC2(CO)CCOCC2)CC1 ZINC000952981509 685601209 /nfs/dbraw/zinc/60/12/09/685601209.db2.gz XJRRUQQBGPCDTO-UHFFFAOYSA-N 0 0 312.410 0.540 50 0 DCAARN CCN1C[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)CCC1=O ZINC000952990833 685602727 /nfs/dbraw/zinc/60/27/27/685602727.db2.gz XFSBBCWYCWCYOG-NSHDSACASA-N 0 0 321.343 0.951 50 0 DCAARN Cc1ccc(F)c(CN2CCN3C(=O)[C@H](C)NC(=O)[C@H]3C2)c1 ZINC000014535780 685048130 /nfs/dbraw/zinc/04/81/30/685048130.db2.gz RXYFHPHAQYIWBQ-SMDDNHRTSA-N 0 0 305.353 0.665 50 0 DCAARN Cn1cc(NC(=O)Cn2ncc(N3CCCC3)cc2=O)cn1 ZINC000020785593 685052841 /nfs/dbraw/zinc/05/28/41/685052841.db2.gz PBNBDUGWGCAMPR-UHFFFAOYSA-N 0 0 302.338 0.216 50 0 DCAARN Cn1nnnc1SCC(=O)N[C@@H]1COC2(C1)CCCCC2 ZINC000020781422 685052909 /nfs/dbraw/zinc/05/29/09/685052909.db2.gz BUWLGZGHFCHSFL-JTQLQIEISA-N 0 0 311.411 0.910 50 0 DCAARN COCCC(=O)N1C[C@@H]2[C@@H](CN(C)Cc3nc(C)c[nH]3)[C@@H]2C1 ZINC000102598972 685114526 /nfs/dbraw/zinc/11/45/26/685114526.db2.gz UFOKAJAWIKXMBR-ZSOGYDGISA-N 0 0 306.410 0.891 50 0 DCAARN COc1c(F)cc(C(=O)N2C[C@@H]3[C@H](C2)C3(CO)CO)cc1F ZINC001772700780 1157840852 /nfs/dbraw/zinc/84/08/52/1157840852.db2.gz FIPMMMUTSOEGPB-AOOOYVTPSA-N 0 0 313.300 0.646 50 0 DCAARN COc1cc(CN2C[C@@H]3COC[C@H](C2)N(C)C3=O)cc(OC)c1 ZINC001772700774 1157841101 /nfs/dbraw/zinc/84/11/01/1157841101.db2.gz HHOOJPICJXETIV-KGLIPLIRSA-N 0 0 320.389 0.993 50 0 DCAARN O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCC([C@@H](O)CO)CC1 ZINC001772703715 1157841673 /nfs/dbraw/zinc/84/16/73/1157841673.db2.gz ZCRAGPGNGXUVLL-AWEZNQCLSA-N 0 0 316.361 0.677 50 0 DCAARN C[C@]1(O)CC2(CCN(C(=O)c3cncc(F)c3)CC2)OC[C@@H]1O ZINC001704297398 1179964647 /nfs/dbraw/zinc/96/46/47/1179964647.db2.gz PYBFXWBAWNFSAT-ZFWWWQNUSA-N 0 0 324.352 0.728 50 0 DCAARN CCn1ccc(CN2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)n1 ZINC001704304094 1179966324 /nfs/dbraw/zinc/96/63/24/1179966324.db2.gz AMMRZGJZJBHQQE-LSDHHAIUSA-N 0 0 309.410 0.770 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)C[C@H]2O)[nH]n1 ZINC001704302563 1179966952 /nfs/dbraw/zinc/96/69/52/1179966952.db2.gz AFOOHLGFYOFRTF-IUODEOHRSA-N 0 0 317.393 0.663 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cnc(N)nc3C)C[C@H]2O)[nH]n1 ZINC001704305368 1179968089 /nfs/dbraw/zinc/96/80/89/1179968089.db2.gz VGOIODYZMJWQOU-ZWNOBZJWSA-N 0 0 316.365 0.074 50 0 DCAARN CN(C)c1ncc2c(n1)[C@]1(CC2)CCCN(C(=O)CCO)C1 ZINC001704312231 1179968773 /nfs/dbraw/zinc/96/87/73/1179968773.db2.gz GJHLHZQAOFKXQD-INIZCTEOSA-N 0 0 304.394 0.731 50 0 DCAARN Cc1ncsc1CN1C[C@H]2COC[C@@H]1C[N@H+](CC(=O)[O-])C2 ZINC001704310321 1179969369 /nfs/dbraw/zinc/96/93/69/1179969369.db2.gz RKZMPFHEBXIRKM-RYUDHWBXSA-N 0 0 311.407 0.669 50 0 DCAARN CC(C)c1nccc(CN2C[C@@H]3COC[C@H](C2)N(C)C3=O)n1 ZINC001704313074 1179969461 /nfs/dbraw/zinc/96/94/61/1179969461.db2.gz MQSNPPSFWJCINJ-OCCSQVGLSA-N 0 0 304.394 0.889 50 0 DCAARN Cc1n[nH]nc1C(=O)N1CCC[C@]2(CCc3cnc(N)nc32)C1 ZINC001704344501 1179980693 /nfs/dbraw/zinc/98/06/93/1179980693.db2.gz OVTXBZBJKKJBEZ-HNNXBMFYSA-N 0 0 313.365 0.606 50 0 DCAARN COc1cccc(C(=O)NCCC(=O)NC[C@@H]2CCOC2)c1 ZINC001704354097 1179983450 /nfs/dbraw/zinc/98/34/50/1179983450.db2.gz RLFKQWMCTJGMLI-LBPRGKRZSA-N 0 0 306.362 0.968 50 0 DCAARN Cc1cc(N2CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)n[nH]1 ZINC000194559635 747444110 /nfs/dbraw/zinc/44/41/10/747444110.db2.gz NDDXFNMAEROMNJ-LBPRGKRZSA-N 0 0 305.382 0.426 50 0 DCAARN CC(C)Cc1cc(CNC(=O)N[C@H]2CCS(=O)(=O)C2)on1 ZINC000821483339 758173557 /nfs/dbraw/zinc/17/35/57/758173557.db2.gz IWVWTKUASMPHSN-JTQLQIEISA-N 0 0 315.395 0.859 50 0 DCAARN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](O)C2 ZINC000821508391 758174548 /nfs/dbraw/zinc/17/45/48/758174548.db2.gz PTSWUPJCDCPXLI-LBPRGKRZSA-N 0 0 307.394 0.861 50 0 DCAARN CC(C)N(C)S(=O)(=O)NCc1nnc(-c2ccncc2)[nH]1 ZINC000821724574 758177476 /nfs/dbraw/zinc/17/74/76/758177476.db2.gz RPCGOKAUAPPTIE-UHFFFAOYSA-N 0 0 310.383 0.541 50 0 DCAARN CO[C@H]1COCC[C@@H]1NS(=O)(=O)CCOc1ccccc1 ZINC000824506615 758777678 /nfs/dbraw/zinc/77/76/78/758777678.db2.gz LFJPMVUYDVZFBF-KBPBESRZSA-N 0 0 315.391 0.789 50 0 DCAARN C[C@@H](Cn1cncn1)C(=O)N1CCC(Oc2ncccn2)CC1 ZINC000827628023 758872363 /nfs/dbraw/zinc/87/23/63/758872363.db2.gz KNINJKZTWSVOHJ-LBPRGKRZSA-N 0 0 316.365 0.774 50 0 DCAARN CC(=O)c1c(C)nn(CC(=O)NCc2nnc3n2CCC3)c1C ZINC000827864665 758890628 /nfs/dbraw/zinc/89/06/28/758890628.db2.gz QHHGFPOIPADYGW-UHFFFAOYSA-N 0 0 316.365 0.557 50 0 DCAARN C[C@@H](NC(=O)CS(C)(=O)=O)c1nc(-c2cccnc2)no1 ZINC000827841872 758892239 /nfs/dbraw/zinc/89/22/39/758892239.db2.gz ZEDGFBFJMFOFFY-MRVPVSSYSA-N 0 0 310.335 0.353 50 0 DCAARN CN(Cc1ncon1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000828290462 758982222 /nfs/dbraw/zinc/98/22/22/758982222.db2.gz IQYSIGXOJDLDFB-UHFFFAOYSA-N 0 0 324.318 0.221 50 0 DCAARN CCN1C(=O)CN(C(=O)Cc2cccnc2)CC12CCOCC2 ZINC000581801811 760251081 /nfs/dbraw/zinc/25/10/81/760251081.db2.gz MHROHQDZUMEZCO-UHFFFAOYSA-N 0 0 317.389 0.864 50 0 DCAARN COCc1nc([C@@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)no1 ZINC000581795523 760253189 /nfs/dbraw/zinc/25/31/89/760253189.db2.gz OKEDDBWNRYZCDV-SNVBAGLBSA-N 0 0 305.338 0.888 50 0 DCAARN O=C(c1c[nH]c(=O)[nH]1)N1CCN(c2cc3c(nn2)CCC3)CC1 ZINC000585414396 768081029 /nfs/dbraw/zinc/08/10/29/768081029.db2.gz JXSOGQQCLREZKY-UHFFFAOYSA-N 0 0 314.349 0.356 50 0 DCAARN COC(=O)[C@@H](Cc1ccccc1O)NC(=O)c1ccn(C)n1 ZINC000585128173 766290382 /nfs/dbraw/zinc/29/03/82/766290382.db2.gz UTHSOUPSJBJXBD-GFCCVEGCSA-N 0 0 303.318 0.640 50 0 DCAARN CSC[C@H](C)C(=O)N(C)CCn1cnc2c1ncnc2N ZINC000585131068 766292990 /nfs/dbraw/zinc/29/29/90/766292990.db2.gz KJHMOCLGBDSXJZ-VIFPVBQESA-N 0 0 308.411 0.866 50 0 DCAARN COC(=O)c1cc(NC(=O)NC[C@@H](O)C(F)(F)F)n(C)n1 ZINC000952878854 768942332 /nfs/dbraw/zinc/94/23/32/768942332.db2.gz DISGDDHHBJTYJM-ZCFIWIBFSA-N 0 0 310.232 0.251 50 0 DCAARN Cc1cc(=O)n(CCN(C)Cc2nc(C(C)C)no2)c(=O)[nH]1 ZINC001529099128 1014493437 /nfs/dbraw/zinc/49/34/37/1014493437.db2.gz RBNLATYNAFYTSS-UHFFFAOYSA-N 0 0 307.354 0.896 50 0 DCAARN CC(C)C(=O)N1CCC[C@@H](Nc2cc3nncn3c(N)n2)C1 ZINC001529172362 1014512514 /nfs/dbraw/zinc/51/25/14/1014512514.db2.gz FOCZQIASEAZOHD-SNVBAGLBSA-N 0 0 303.370 0.765 50 0 DCAARN Cc1ncsc1CN1C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C1 ZINC001529192010 1014517937 /nfs/dbraw/zinc/51/79/37/1014517937.db2.gz MZOZRORDOIBHBX-QWRGUYRKSA-N 0 0 319.452 0.136 50 0 DCAARN CN1C[C@@H](CNc2ncc(F)c(N3CCCC3)n2)OCC1=O ZINC001506406045 1017254779 /nfs/dbraw/zinc/25/47/79/1017254779.db2.gz FDZJBPHERTZPLK-SNVBAGLBSA-N 0 0 309.345 0.485 50 0 DCAARN CC(C)Cc1cc(C(=O)N2CCN3C(=O)OC[C@H]3C2)nc(N)n1 ZINC001506413338 1017260724 /nfs/dbraw/zinc/26/07/24/1017260724.db2.gz QZFUMMGTCMBQDB-LLVKDONJSA-N 0 0 319.365 0.534 50 0 DCAARN CC[NH+]1CCN(CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CC1 ZINC001506412332 1017260904 /nfs/dbraw/zinc/26/09/04/1017260904.db2.gz BHOZVBIAYZKOBR-AWEZNQCLSA-N 0 0 311.426 0.727 50 0 DCAARN CSc1ncc(CNC(=O)/C=C/c2cnc(N)nc2)n1C ZINC001506415958 1017262578 /nfs/dbraw/zinc/26/25/78/1017262578.db2.gz FLIFLVLWQNAOQG-ONEGZZNKSA-N 0 0 304.379 0.844 50 0 DCAARN Cc1cc(N)n(CC(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)n1 ZINC001506421560 1017267279 /nfs/dbraw/zinc/26/72/79/1017267279.db2.gz IRGXEJDZWXCNMK-LLVKDONJSA-N 0 0 314.411 0.057 50 0 DCAARN Cn1ccnc1-c1ccc(NC[C@H]2CN(C)C(=O)CO2)nn1 ZINC001506431645 1017271638 /nfs/dbraw/zinc/27/16/38/1017271638.db2.gz TWWAAGQDMOKEJU-JTQLQIEISA-N 0 0 302.338 0.146 50 0 DCAARN CN(C)C(=O)NCC(=O)N(C)C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001506401835 1017255699 /nfs/dbraw/zinc/25/56/99/1017255699.db2.gz KAUWVEMLUZCMOL-LLVKDONJSA-N 0 0 312.414 0.363 50 0 DCAARN COC[C@H]1CCCN(S(=O)(=O)NCCc2c[nH]cn2)C1 ZINC001506420017 1017265490 /nfs/dbraw/zinc/26/54/90/1017265490.db2.gz QLSXMBJWZNAGKX-NSHDSACASA-N 0 0 302.400 0.145 50 0 DCAARN Cc1noc(CC2CCN(C(=O)CN3CCOC3=O)CC2)n1 ZINC000095503034 185374936 /nfs/dbraw/zinc/37/49/36/185374936.db2.gz IZYWGTIIUWPEFM-UHFFFAOYSA-N 0 0 308.338 0.611 50 0 DCAARN CO[C@@H]1CCN(C(=O)Cn2ncc(N3CCCCC3)cc2=O)C1 ZINC000095506717 185375499 /nfs/dbraw/zinc/37/54/99/185375499.db2.gz BTLAGTREDOIJFU-CQSZACIVSA-N 0 0 320.393 0.481 50 0 DCAARN CCn1ncnc1[C@H](C)NC(=O)C1CCN(C(=O)COC)CC1 ZINC000095511753 185376267 /nfs/dbraw/zinc/37/62/67/185376267.db2.gz OUEKNSIKFCXVQG-NSHDSACASA-N 0 0 323.397 0.360 50 0 DCAARN CN1CCN(CC(=O)N2CCC(CCn3cccn3)CC2)C1=O ZINC000095517603 185376688 /nfs/dbraw/zinc/37/66/88/185376688.db2.gz RFFRBWAHEHYPCK-UHFFFAOYSA-N 0 0 319.409 0.879 50 0 DCAARN CC(=O)N1CCC(C(=O)N2CC[C@@H](Oc3cccnn3)C2)CC1 ZINC000225410251 201702759 /nfs/dbraw/zinc/70/27/59/201702759.db2.gz UJIWSVLDJFEYNR-CQSZACIVSA-N 0 0 318.377 0.715 50 0 DCAARN COc1ccc2c(c1)OC[C@@H](CNC(=O)CN1CCOC1=O)C2 ZINC000095528129 185378254 /nfs/dbraw/zinc/37/82/54/185378254.db2.gz GXPDXGABTQKIOY-LLVKDONJSA-N 0 0 320.345 0.815 50 0 DCAARN CSC[C@H](C)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000079094054 185157459 /nfs/dbraw/zinc/15/74/59/185157459.db2.gz LLWQHYUCNDSJHH-DCAQKATOSA-N 0 0 308.469 0.820 50 0 DCAARN CS(=O)(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1 ZINC000090607793 185306290 /nfs/dbraw/zinc/30/62/90/185306290.db2.gz CRRVEFPIPYSZCG-UHFFFAOYSA-N 0 0 307.379 0.349 50 0 DCAARN CCC[C@@H]1CN(c2ncnc3nc[nH]c32)C[C@H]1NS(C)(=O)=O ZINC000082106556 192356944 /nfs/dbraw/zinc/35/69/44/192356944.db2.gz VPKKWVURYNZREQ-NXEZZACHSA-N 0 0 324.410 0.507 50 0 DCAARN CN(Cc1nc(-c2ccccn2)no1)C(=O)CN1CCOC1=O ZINC000082146296 192361500 /nfs/dbraw/zinc/36/15/00/192361500.db2.gz JPTGOIPOCDIFMV-UHFFFAOYSA-N 0 0 317.305 0.542 50 0 DCAARN CCC(=O)N1CCC[C@H](C(=O)NCCn2nc(C)nc2C)C1 ZINC000095391586 185351425 /nfs/dbraw/zinc/35/14/25/185351425.db2.gz UNIJIWZVBQSEEZ-ZDUSSCGKSA-N 0 0 307.398 0.660 50 0 DCAARN COc1cccc(OC2CN(C(=O)[C@@H]3CCCN3C(N)=O)C2)c1 ZINC000095392327 185351700 /nfs/dbraw/zinc/35/17/00/185351700.db2.gz RRTUMAJRXKXISI-AWEZNQCLSA-N 0 0 319.361 0.828 50 0 DCAARN Cc1ccc(OCCC(=O)N[C@@H]2CCCN(CC(N)=O)C2)cc1 ZINC000095396527 185352861 /nfs/dbraw/zinc/35/28/61/185352861.db2.gz RNMSWVIKPFCRMS-CQSZACIVSA-N 0 0 319.405 0.830 50 0 DCAARN CNS(=O)(=O)CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000095409329 185357076 /nfs/dbraw/zinc/35/70/76/185357076.db2.gz BPOUMLJWAIAHMI-MRVPVSSYSA-N 0 0 306.334 0.561 50 0 DCAARN COCCN1CCC[C@@H](NC(=O)C(F)(F)C2(O)CCC2)C1 ZINC000095449512 185368677 /nfs/dbraw/zinc/36/86/77/185368677.db2.gz UAONZMFYGXVXRX-LLVKDONJSA-N 0 0 306.353 0.764 50 0 DCAARN COC1(C)CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)C1 ZINC000095453055 185369390 /nfs/dbraw/zinc/36/93/90/185369390.db2.gz CYADZWXJAGYJNU-ZDUSSCGKSA-N 0 0 316.361 0.354 50 0 DCAARN COCCN(CC(=O)N(C)C)c1ncncc1Br ZINC000097016701 185397496 /nfs/dbraw/zinc/39/74/96/185397496.db2.gz DUYYGTWPRHQHOU-UHFFFAOYSA-N 0 0 317.187 0.780 50 0 DCAARN COC(=O)[C@@H](CC(C)C)NC(=O)c1nc2nccc(C)n2n1 ZINC000024728790 190649969 /nfs/dbraw/zinc/64/99/69/190649969.db2.gz YUPVASYCPXIGFX-SNVBAGLBSA-N 0 0 305.338 0.750 50 0 DCAARN C[C@H]1CN(S(=O)(=O)CCNC(=O)C2CCCC2)C[C@H](C)O1 ZINC000032914989 190659848 /nfs/dbraw/zinc/65/98/48/190659848.db2.gz HVSUHQJQXRLIIG-RYUDHWBXSA-N 0 0 318.439 0.732 50 0 DCAARN O=C(CCN1CCS(=O)(=O)CC1)Nc1cccc(F)c1 ZINC000103287394 185444595 /nfs/dbraw/zinc/44/45/95/185444595.db2.gz NHQYDWDQGTXLOB-UHFFFAOYSA-N 0 0 300.355 0.885 50 0 DCAARN CN(Cc1cccs1)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000103349766 185447686 /nfs/dbraw/zinc/44/76/86/185447686.db2.gz HAVGYGCKZXXASZ-SREVYHEPSA-N 0 0 319.386 0.817 50 0 DCAARN CCn1nccc1C(=O)NCc1nc(-c2cc[nH]c(=O)c2)no1 ZINC000225803175 201748298 /nfs/dbraw/zinc/74/82/98/201748298.db2.gz RIJUGUDCANCFHD-UHFFFAOYSA-N 0 0 314.305 0.571 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cc[nH]n2)cn1 ZINC000408524247 530028366 /nfs/dbraw/zinc/02/83/66/530028366.db2.gz YZNVEQXWWHMYAN-QMMMGPOBSA-N 0 0 309.351 0.204 50 0 DCAARN C/C=C/C[C@@H](CO)NC(=O)CNC(=O)c1cccc(OC)c1 ZINC000170598464 197784499 /nfs/dbraw/zinc/78/44/99/197784499.db2.gz JLQSVIWHSQFSLP-OOPCZODUSA-N 0 0 306.362 0.868 50 0 DCAARN Cn1c2ccc(CNC(=O)C(=O)c3ccco3)cc2n(C)c1=O ZINC000067489685 190709600 /nfs/dbraw/zinc/70/96/00/190709600.db2.gz ASPBUXWYOJUUHQ-UHFFFAOYSA-N 0 0 313.313 0.969 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCO[C@@H](c3nnc(C)[nH]3)C2)on1 ZINC000229284620 201827584 /nfs/dbraw/zinc/82/75/84/201827584.db2.gz PYFMZJXHUPFYDP-MWLCHTKSSA-N 0 0 320.353 0.810 50 0 DCAARN O=C(CN1CCO[C@H](Cn2cccn2)C1)Nc1ccncc1 ZINC000069877716 190833425 /nfs/dbraw/zinc/83/34/25/190833425.db2.gz WOFKAUVHJBAZOY-AWEZNQCLSA-N 0 0 301.350 0.618 50 0 DCAARN COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cc(F)ccc1F ZINC000083891537 192388956 /nfs/dbraw/zinc/38/89/56/192388956.db2.gz KXCNQVLAVUNSCW-WPRPVWTQSA-N 0 0 321.301 0.262 50 0 DCAARN CC[C@@H]1CN(C(=O)C(N)=O)CCC(=O)N1Cc1ccccc1 ZINC000071760746 191026584 /nfs/dbraw/zinc/02/65/84/191026584.db2.gz UNKYNOMINSTUHU-CYBMUJFWSA-N 0 0 303.362 0.511 50 0 DCAARN CC(C)c1ncc(C(=O)N2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)c(=O)[nH]1 ZINC000071764001 191027372 /nfs/dbraw/zinc/02/73/72/191027372.db2.gz HAENYHOFKPGCRI-QZHINBJYSA-N 0 0 321.377 0.097 50 0 DCAARN CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CCCO)CC1 ZINC000071903178 191032031 /nfs/dbraw/zinc/03/20/31/191032031.db2.gz GTBLPFJIECHLLX-UHFFFAOYSA-N 0 0 318.361 0.657 50 0 DCAARN O=C(c1cccc(-c2ncc[nH]2)c1)N1CC[C@H](CO)[C@@H](O)C1 ZINC000072130977 191044288 /nfs/dbraw/zinc/04/42/88/191044288.db2.gz FQKQCMCIRMCKBI-KGLIPLIRSA-N 0 0 301.346 0.892 50 0 DCAARN O=C(CCc1[nH]nc2c1CCCC2)N1CCC[C@](O)(CO)C1 ZINC000072143887 191052098 /nfs/dbraw/zinc/05/20/98/191052098.db2.gz QYCLKVJKSUXDMM-MRXNPFEDSA-N 0 0 307.394 0.567 50 0 DCAARN CN1C[C@@]2(CCCN(c3ncccc3C(N)=O)CC2)OC1=O ZINC000072146013 191052860 /nfs/dbraw/zinc/05/28/60/191052860.db2.gz PIVJNANYTLTNMH-HNNXBMFYSA-N 0 0 304.350 0.992 50 0 DCAARN COc1coc(C(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)cc1=O ZINC000072149175 191053938 /nfs/dbraw/zinc/05/39/38/191053938.db2.gz FTPQKFRNIUIFLZ-OAHLLOKOSA-N 0 0 322.317 0.705 50 0 DCAARN CCCc1cnc(C)nc1N1CCN[C@@H](C(=O)NC2CC2)C1 ZINC000072149204 191053985 /nfs/dbraw/zinc/05/39/85/191053985.db2.gz VWQUCHAPMIIYOW-CQSZACIVSA-N 0 0 303.410 0.794 50 0 DCAARN COc1coc(C(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)cc1=O ZINC000072149176 191054103 /nfs/dbraw/zinc/05/41/03/191054103.db2.gz FTPQKFRNIUIFLZ-HNNXBMFYSA-N 0 0 322.317 0.705 50 0 DCAARN CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)CO)C2 ZINC000072153322 191057403 /nfs/dbraw/zinc/05/74/03/191057403.db2.gz ADBFKVQSMYUFHD-UHFFFAOYSA-N 0 0 313.361 0.482 50 0 DCAARN Cc1nc([C@H]2CCCN(C(=O)CN3CSCC3=O)C2)no1 ZINC000072231975 191078082 /nfs/dbraw/zinc/07/80/82/191078082.db2.gz MOLVYAIGOUFSGU-JTQLQIEISA-N 0 0 310.379 0.617 50 0 DCAARN Cc1nc(C)n([C@@H]2CCCN(C(=O)CCn3cncn3)C2)n1 ZINC000072235358 191080425 /nfs/dbraw/zinc/08/04/25/191080425.db2.gz QTOTURSJWFVQSE-CYBMUJFWSA-N 0 0 303.370 0.740 50 0 DCAARN COCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1F ZINC000072241628 191084829 /nfs/dbraw/zinc/08/48/29/191084829.db2.gz ZPEDXUCKEZKQPU-HUUCEWRRSA-N 0 0 324.352 0.877 50 0 DCAARN Cc1cc(C(=O)NCC(=O)N(C)C)nc(N2CCCCCC2)n1 ZINC000072241471 191085192 /nfs/dbraw/zinc/08/51/92/191085192.db2.gz LMRBUJVSWOQJNC-UHFFFAOYSA-N 0 0 319.409 0.983 50 0 DCAARN COC(=O)c1ccc(C(=O)NCCCN2C(=O)CNC2=O)cc1 ZINC000072273274 191096079 /nfs/dbraw/zinc/09/60/79/191096079.db2.gz IYFPZWXHELUJPF-UHFFFAOYSA-N 0 0 319.317 0.145 50 0 DCAARN CCc1nc([C@@H]2CCCN2CC(=O)NC[C@@H]2CCOC2)no1 ZINC000072279377 191100493 /nfs/dbraw/zinc/10/04/93/191100493.db2.gz IMGKBNONUKOWBC-RYUDHWBXSA-N 0 0 308.382 0.922 50 0 DCAARN NC(=O)c1cc(N2CCC[C@H](C(=O)N3CCOCC3)C2)ccn1 ZINC000072284454 191103471 /nfs/dbraw/zinc/10/34/71/191103471.db2.gz RQKYBWUAZLGKAJ-LBPRGKRZSA-N 0 0 318.377 0.256 50 0 DCAARN Cn1cc([C@H]2CCN(C(=O)Nc3ccc(C(N)=O)nc3)C2)cn1 ZINC000164304141 186155416 /nfs/dbraw/zinc/15/54/16/186155416.db2.gz PGWMTEIWWJJTMS-JTQLQIEISA-N 0 0 314.349 0.935 50 0 DCAARN Cn1nc2c(cc1=O)CN(CC(=O)NCc1cccs1)CC2 ZINC000072302327 191115957 /nfs/dbraw/zinc/11/59/57/191115957.db2.gz GKXOFNWWNOMPFE-UHFFFAOYSA-N 0 0 318.402 0.516 50 0 DCAARN COCCn1c(C)cc(C)c(C(=O)NCc2nc(C)no2)c1=O ZINC000253414252 186310128 /nfs/dbraw/zinc/31/01/28/186310128.db2.gz WXAMGBXNTNHFJR-UHFFFAOYSA-N 0 0 320.349 0.733 50 0 DCAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cn[nH]c1 ZINC000253414716 186310221 /nfs/dbraw/zinc/31/02/21/186310221.db2.gz YIOGCNPZCTYDGO-GFCCVEGCSA-N 0 0 313.317 0.879 50 0 biogenic DCAARN Cn1cc(C(=O)NCC2CCN(c3cccnc3)CC2)nn1 ZINC000225655477 186287315 /nfs/dbraw/zinc/28/73/15/186287315.db2.gz MCQQEYBZXPUBHJ-UHFFFAOYSA-N 0 0 300.366 0.857 50 0 DCAARN CN(Cc1ccco1)C(=O)CN1CCc2nn(C)c(=O)cc2C1 ZINC000072302397 191115138 /nfs/dbraw/zinc/11/51/38/191115138.db2.gz YZUZTLUDJYVQOU-UHFFFAOYSA-N 0 0 316.361 0.390 50 0 DCAARN C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cccnc1)N1CCOCC1 ZINC000253408142 186308281 /nfs/dbraw/zinc/30/82/81/186308281.db2.gz XDRWIEDJVYBYGC-STQMWFEESA-N 0 0 320.393 0.096 50 0 DCAARN NS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000072304063 191116412 /nfs/dbraw/zinc/11/64/12/191116412.db2.gz GAAARQCKGILZDT-PSASIEDQSA-N 0 0 304.318 0.473 50 0 DCAARN O=C([C@@H]1CNC(=O)N1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000072411414 191153923 /nfs/dbraw/zinc/15/39/23/191153923.db2.gz JHHRFFZWZVLSOH-AWEZNQCLSA-N 0 0 320.368 0.541 50 0 DCAARN CC(C)(O)CCc1cccc(C(=O)N2CC[C@](O)(CO)C2)c1 ZINC000072409553 191154497 /nfs/dbraw/zinc/15/44/97/191154497.db2.gz AUKWIEAYNDQENQ-QGZVFWFLSA-N 0 0 307.390 0.959 50 0 DCAARN CN(C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCCC[C@@H]1O ZINC000072437811 191166505 /nfs/dbraw/zinc/16/65/05/191166505.db2.gz LIHHDSJUWNYDCN-AGIUHOORSA-N 0 0 318.439 0.420 50 0 DCAARN CSc1ncc(CNC(=O)[C@H]2NCCc3nc[nH]c32)n1C ZINC000072439897 191167091 /nfs/dbraw/zinc/16/70/91/191167091.db2.gz HPQZVBCAMUXGQP-NSHDSACASA-N 0 0 306.395 0.368 50 0 DCAARN O=C([C@H]1NCCc2nc[nH]c21)N1CCN(c2ccccn2)CC1 ZINC000072475862 191177758 /nfs/dbraw/zinc/17/77/58/191177758.db2.gz UQZMHSBTPFEABO-HNNXBMFYSA-N 0 0 312.377 0.340 50 0 DCAARN Cn1ccc(C(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)c1 ZINC000331830064 234171553 /nfs/dbraw/zinc/17/15/53/234171553.db2.gz QYBSXOOULDTFBL-NSHDSACASA-N 0 0 302.338 0.193 50 0 DCAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1 ZINC000000469021 180800358 /nfs/dbraw/zinc/80/03/58/180800358.db2.gz WKNUQMMADFICCY-UHFFFAOYSA-N 0 0 312.391 0.474 50 0 DCAARN CCOC(=O)C1CCN(S(=O)(=O)c2cnn(CC)c2)CC1 ZINC000001430389 180866014 /nfs/dbraw/zinc/86/60/14/180866014.db2.gz HVZOGEZCMBAOTG-UHFFFAOYSA-N 0 0 315.395 0.867 50 0 DCAARN COCCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000003886298 181053010 /nfs/dbraw/zinc/05/30/10/181053010.db2.gz WTJNCOHQJXIYHQ-UHFFFAOYSA-N 0 0 300.318 0.581 50 0 DCAARN COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@H]1c1cccnc1 ZINC000003903534 181055233 /nfs/dbraw/zinc/05/52/33/181055233.db2.gz AIIYGGXNHFQOGB-BCUIYNNISA-N 0 0 321.329 0.467 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@]2(C)NN1 ZINC000004104475 181073414 /nfs/dbraw/zinc/07/34/14/181073414.db2.gz YBIPHAVVFCMZLI-ZBEGNZNMSA-N 0 0 315.329 0.684 50 0 DCAARN O=C(COC(=O)C1=COCCO1)Nc1ccc2c(c1)OCO2 ZINC000004167245 181080679 /nfs/dbraw/zinc/08/06/79/181080679.db2.gz JJOSHHMZNWJCAT-UHFFFAOYSA-N 0 0 307.258 0.785 50 0 DCAARN C[C@@H](O)Cn1c(NCc2ccco2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004318052 181097084 /nfs/dbraw/zinc/09/70/84/181097084.db2.gz LKXCXMKURJAEPZ-MRVPVSSYSA-N 0 0 319.321 0.009 50 0 DCAARN Nn1c(=O)cnnc1SCC(=O)Nc1ccc(F)cc1F ZINC000004338098 181100049 /nfs/dbraw/zinc/10/00/49/181100049.db2.gz YKXBGENZDNSWSC-UHFFFAOYSA-N 0 0 313.289 0.361 50 0 DCAARN Cc1ccc(C)c(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000004338508 181100166 /nfs/dbraw/zinc/10/01/66/181100166.db2.gz YDMYTEMGJAQJJT-UHFFFAOYSA-N 0 0 324.358 0.469 50 0 DCAARN COc1cccc(N2C[C@@H](NC(=O)NC[C@H](C)O)CC2=O)c1 ZINC000004373304 181103030 /nfs/dbraw/zinc/10/30/30/181103030.db2.gz PETSFAFAKNFJPF-QWRGUYRKSA-N 0 0 307.350 0.481 50 0 DCAARN COc1ccc([C@H]2NC(=S)NC(C)=C2C(N)=O)c(OC)c1 ZINC000004574703 181125897 /nfs/dbraw/zinc/12/58/97/181125897.db2.gz XRZAAOHGMCLOTO-GFCCVEGCSA-N 0 0 307.375 0.982 50 0 DCAARN CCCC(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 ZINC000004583330 181127356 /nfs/dbraw/zinc/12/73/56/181127356.db2.gz BTJVVCCHKKUOQS-UHFFFAOYSA-N 0 0 319.409 0.762 50 0 DCAARN COC(=O)CCNC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1 ZINC000065612501 291043695 /nfs/dbraw/zinc/04/36/95/291043695.db2.gz DAXIFEUULGYKDC-BZPMIXESSA-N 0 0 300.399 0.800 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@]2(C)NN1 ZINC000004897985 181170360 /nfs/dbraw/zinc/17/03/60/181170360.db2.gz MJVRDYGXWVKTPB-LKFCYVNXSA-N 0 0 321.720 0.720 50 0 DCAARN Cc1ccc(S(=O)(=O)NCc2ccccn2)cc1C(N)=O ZINC000004935285 181175151 /nfs/dbraw/zinc/17/51/51/181175151.db2.gz FWLLAHFFTAZGIJ-UHFFFAOYSA-N 0 0 305.359 0.967 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000075125440 191424794 /nfs/dbraw/zinc/42/47/94/191424794.db2.gz OKUQAEXQTGUZII-SECBINFHSA-N 0 0 301.302 0.582 50 0 DCAARN COCC(=O)N(c1ccc(OC)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC000005071409 181201208 /nfs/dbraw/zinc/20/12/08/181201208.db2.gz UWSQOJDAVHXFRQ-LBPRGKRZSA-N 0 0 311.359 0.985 50 0 DCAARN CC(=O)Nc1nc(CN2CCc3nn(C)c(=O)cc3C2)cs1 ZINC000078623234 191899083 /nfs/dbraw/zinc/89/90/83/191899083.db2.gz FBZNXCRJWPYHSS-UHFFFAOYSA-N 0 0 319.390 0.754 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccn(C)n2)cc1 ZINC000005336062 181230990 /nfs/dbraw/zinc/23/09/90/181230990.db2.gz AOYZXXBNQVVBCE-UHFFFAOYSA-N 0 0 308.363 0.923 50 0 DCAARN CCOC(=O)CNC(=O)CCSc1ncnc2[nH]cnc21 ZINC000005349733 181233162 /nfs/dbraw/zinc/23/31/62/181233162.db2.gz YPXAJARQHAUEJT-UHFFFAOYSA-N 0 0 309.351 0.514 50 0 DCAARN O=C(CN1C(=O)CCC1=O)NC[C@]1(O)CCc2ccccc2C1 ZINC000085559835 192515752 /nfs/dbraw/zinc/51/57/52/192515752.db2.gz DGIIBBBNFMOPER-KRWDZBQOSA-N 0 0 316.357 0.172 50 0 DCAARN CCc1nc(C)c([C@H](C)N(C)C(=O)CN2CCNCC2=O)s1 ZINC000237031473 202128949 /nfs/dbraw/zinc/12/89/49/202128949.db2.gz LKETWYHVBANXQP-NSHDSACASA-N 0 0 324.450 0.965 50 0 DCAARN COC(=O)C[C@@H]1CSCCN1C[C@H]1CCCS(=O)(=O)C1 ZINC000253416320 291132952 /nfs/dbraw/zinc/13/29/52/291132952.db2.gz ARXBKPGDNQDJKG-VXGBXAGGSA-N 0 0 321.464 0.792 50 0 DCAARN COc1ccc(C)cc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000089618726 192826525 /nfs/dbraw/zinc/82/65/25/192826525.db2.gz KVWVGFFFSQQYLA-ZDUSSCGKSA-N 0 0 323.393 0.818 50 0 DCAARN O=C([O-])Cn1nccc1[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000426667374 240353369 /nfs/dbraw/zinc/35/33/69/240353369.db2.gz KZXMQXBFAWDCTD-CYBMUJFWSA-N 0 0 320.393 0.770 50 0 DCAARN CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H](C)Oc2cccnc2)C1=O ZINC000281119066 216092421 /nfs/dbraw/zinc/09/24/21/216092421.db2.gz HZSAXKPRVVUCQQ-YMTOWFKASA-N 0 0 306.322 0.601 50 0 DCAARN CC(C)COCCN1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 ZINC000242389403 202472448 /nfs/dbraw/zinc/47/24/48/202472448.db2.gz ZWYMQYPWIDRXPD-AWEZNQCLSA-N 0 0 315.439 0.864 50 0 DCAARN CCNC(=O)NC(=O)COC(=O)[C@H]1COc2ccccc2O1 ZINC000006055289 181308825 /nfs/dbraw/zinc/30/88/25/181308825.db2.gz DBUHEEPJOIKSEP-LLVKDONJSA-N 0 0 308.290 0.215 50 0 DCAARN O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000006061814 181310104 /nfs/dbraw/zinc/31/01/04/181310104.db2.gz BFYOEAADTUTXEW-UHFFFAOYSA-N 0 0 323.418 0.573 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ncnn1-c1ccccc1 ZINC000281516631 216353457 /nfs/dbraw/zinc/35/34/57/216353457.db2.gz ZDKTWCXKGIQSDC-OLZOCXBDSA-N 0 0 302.334 0.376 50 0 DCAARN Cc1cc(NCCNC(=O)c2ccc(C(N)=O)cc2)n(C)n1 ZINC000408515605 239271176 /nfs/dbraw/zinc/27/11/76/239271176.db2.gz GVCXPOMOIVDGMU-UHFFFAOYSA-N 0 0 301.350 0.669 50 0 DCAARN Cc1nc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c(C)o1 ZINC000408522570 239271687 /nfs/dbraw/zinc/27/16/87/239271687.db2.gz JUGIYMHDMOTYAW-SNVBAGLBSA-N 0 0 313.354 0.907 50 0 DCAARN C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCO)CC(=O)N12 ZINC000000490559 291313579 /nfs/dbraw/zinc/31/35/79/291313579.db2.gz XAMJMOMNYYXGTP-HZMBPMFUSA-N 0 0 313.357 0.817 50 0 biogenic DCAARN C[C@@](O)(CNC(=O)N1CCNC1=O)c1ccc2c(c1)OCO2 ZINC000206704080 201429434 /nfs/dbraw/zinc/42/94/34/201429434.db2.gz AHQMOIFEWBBGOH-CQSZACIVSA-N 0 0 307.306 0.358 50 0 DCAARN COC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000006702342 181373735 /nfs/dbraw/zinc/37/37/35/181373735.db2.gz LPAFCIAVIVYIQR-VIFPVBQESA-N 0 0 316.379 0.967 50 0 DCAARN Cc1nn(C)cc1S(=O)(=O)NCCCN1CCCC1=O ZINC000006741058 181380559 /nfs/dbraw/zinc/38/05/59/181380559.db2.gz PELSDBRLUIKMBK-UHFFFAOYSA-N 0 0 300.384 0.019 50 0 DCAARN CCCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCOC)C1 ZINC000006747267 181381621 /nfs/dbraw/zinc/38/16/21/181381621.db2.gz XROSKIXEGRHLJN-GFCCVEGCSA-N 0 0 306.428 0.591 50 0 DCAARN CS(=O)(=O)c1ccc(NC(=O)CN2CSCC2=O)cc1 ZINC000006879499 181399842 /nfs/dbraw/zinc/39/98/42/181399842.db2.gz VHKAZNIIXBEDIC-UHFFFAOYSA-N 0 0 314.388 0.562 50 0 DCAARN COCCn1ccnc1CN1C[C@H](NC(=O)CO)[C@@H](C(C)C)C1 ZINC000091350962 193045141 /nfs/dbraw/zinc/04/51/41/193045141.db2.gz UECYSSKGDTZTEX-KGLIPLIRSA-N 0 0 324.425 0.094 50 0 DCAARN CCNc1ccnc(N2CCC3(C[NH2+][C@@H](C(=O)[O-])C3)CC2)n1 ZINC000091616582 193079999 /nfs/dbraw/zinc/07/99/99/193079999.db2.gz HTCTVPKKQPFKGK-LLVKDONJSA-N 0 0 305.382 0.942 50 0 DCAARN Cc1nccnc1N1C[C@H](CO)C[C@H](CN2CCOCC2)C1 ZINC000091476703 193062345 /nfs/dbraw/zinc/06/23/45/193062345.db2.gz PBRACZPOESGZJS-HUUCEWRRSA-N 0 0 306.410 0.552 50 0 DCAARN CN(C)C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2 ZINC000091644172 193084014 /nfs/dbraw/zinc/08/40/14/193084014.db2.gz AHIYRWQYKNCVRD-NWDGAFQWSA-N 0 0 303.366 0.695 50 0 DCAARN Nc1n[nH]c(CCC(=O)N2CCC[C@@](CO)(CC3CC3)C2)n1 ZINC000091706824 193095579 /nfs/dbraw/zinc/09/55/79/193095579.db2.gz GXGRNZJPBMZCAE-OAHLLOKOSA-N 0 0 307.398 0.721 50 0 DCAARN CC(C)(C)c1ncc(C(=O)NCCCN2CCCC2=O)c(=O)[nH]1 ZINC000091624881 193080114 /nfs/dbraw/zinc/08/01/14/193080114.db2.gz DMASUPHPCJGVHS-UHFFFAOYSA-N 0 0 320.393 0.810 50 0 DCAARN COCC[C@]1(CO)CCCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC000091809051 193110712 /nfs/dbraw/zinc/11/07/12/193110712.db2.gz KZLMNZJFUHXJBQ-MRXNPFEDSA-N 0 0 308.378 0.637 50 0 DCAARN O=C(c1ccc(N2CC(=O)NC2=O)cc1)N1CCSCC1 ZINC000091871742 193120906 /nfs/dbraw/zinc/12/09/06/193120906.db2.gz FFIGVHBTSOACLV-UHFFFAOYSA-N 0 0 305.359 0.932 50 0 DCAARN CNc1nc(C[N@@H+]2C[C@H]3CN(C(C)=O)C[C@@]3(C(=O)[O-])C2)cs1 ZINC000091914575 193125529 /nfs/dbraw/zinc/12/55/29/193125529.db2.gz GKGFIVTVVWIHRT-HZMBPMFUSA-N 0 0 324.406 0.550 50 0 DCAARN COCC[C@@]1(CO)CCCN(C(=O)CCN2CCOCC2)C1 ZINC000091914505 193125898 /nfs/dbraw/zinc/12/58/98/193125898.db2.gz PSLSOICDJNHUKQ-INIZCTEOSA-N 0 0 314.426 0.346 50 0 DCAARN CC(C)[C@@H]1C[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C(=O)[O-] ZINC000091914510 193126270 /nfs/dbraw/zinc/12/62/70/193126270.db2.gz JRFBOVQYKMQFOR-RFQIPJPRSA-N 0 0 312.410 0.911 50 0 DCAARN CCN1C[C@H](C(=O)NCCc2nc(COC)no2)CCC1=O ZINC000092047087 193147065 /nfs/dbraw/zinc/14/70/65/193147065.db2.gz IHXYCVHQIALIBT-SNVBAGLBSA-N 0 0 310.354 0.133 50 0 DCAARN O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@@H](OCc2ccccn2)C1 ZINC000215307700 201458662 /nfs/dbraw/zinc/45/86/62/201458662.db2.gz FCPLUUNSPLKNPX-GFCCVEGCSA-N 0 0 302.334 0.919 50 0 DCAARN CN1C(=O)C[C@H](CNC(=O)c2c[nH]c(=O)cn2)c2ccccc21 ZINC000216258151 201488013 /nfs/dbraw/zinc/48/80/13/201488013.db2.gz KPHXNDUGLQEAHI-SNVBAGLBSA-N 0 0 312.329 0.650 50 0 DCAARN Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)Nc1nn[nH]n1 ZINC000218529049 201540161 /nfs/dbraw/zinc/54/01/61/201540161.db2.gz PQTPLRMKKNLFFL-SNVBAGLBSA-N 0 0 318.337 0.410 50 0 DCAARN O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC000252538084 202865823 /nfs/dbraw/zinc/86/58/23/202865823.db2.gz MQCUZGOCFMVDKG-SRVKXCTJSA-N 0 0 322.340 0.701 50 0 DCAARN Cc1nc(C2CCN(CC(=O)N3CCN(C)CC3)CC2)no1 ZINC000093169530 193210902 /nfs/dbraw/zinc/21/09/02/193210902.db2.gz LJWQAZSKYUMUAD-UHFFFAOYSA-N 0 0 307.398 0.331 50 0 DCAARN CN(C)C(=O)N1CCC[C@H](C(=O)NCCCn2ccnn2)C1 ZINC000095378961 193438903 /nfs/dbraw/zinc/43/89/03/193438903.db2.gz YPCXNKPCYCSGLI-LBPRGKRZSA-N 0 0 308.386 0.178 50 0 DCAARN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CN2CCCC2=O)on1 ZINC000096164798 193559092 /nfs/dbraw/zinc/55/90/92/193559092.db2.gz VEORJXFGZIAELE-YPMHNXCESA-N 0 0 307.350 0.279 50 0 DCAARN CCCn1c(N)c(N(CCOC)C(=O)C2CCC2)c(=O)[nH]c1=O ZINC000007967408 181511592 /nfs/dbraw/zinc/51/15/92/181511592.db2.gz XVSIIAXSPYIODZ-UHFFFAOYSA-N 0 0 324.381 0.308 50 0 DCAARN CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 ZINC000010367688 181667515 /nfs/dbraw/zinc/66/75/15/181667515.db2.gz OAXDMIAGWDIOMQ-NSHDSACASA-N 0 0 305.444 0.810 50 0 DCAARN Cc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)nnn1-c1ccccc1 ZINC000012274110 181744678 /nfs/dbraw/zinc/74/46/78/181744678.db2.gz HQZQDXXAGIRQSI-NSHDSACASA-N 0 0 320.374 0.493 50 0 DCAARN C[C@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C1CC1 ZINC000012818362 181801722 /nfs/dbraw/zinc/80/17/22/181801722.db2.gz WNYARPPWMKWLFU-QMMMGPOBSA-N 0 0 302.334 0.161 50 0 DCAARN CC(C)NC(=O)CNC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000014181776 181933203 /nfs/dbraw/zinc/93/32/03/181933203.db2.gz DQJNQYHWDGLDRG-UHFFFAOYSA-N 0 0 307.375 0.985 50 0 DCAARN COC(=O)CNC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 ZINC000015514402 182005247 /nfs/dbraw/zinc/00/52/47/182005247.db2.gz HVYYWEWGJMTBNH-UHFFFAOYSA-N 0 0 321.358 0.615 50 0 DCAARN COc1ccc(S(=O)(=O)NCCNC(C)=O)cc1OC ZINC000016085165 182031777 /nfs/dbraw/zinc/03/17/77/182031777.db2.gz OCTBWWWYXXSRKG-UHFFFAOYSA-N 0 0 302.352 0.118 50 0 DCAARN O=C(Cn1nc2cnccn2c1=O)Nc1ccc(F)cc1F ZINC000097372568 193712814 /nfs/dbraw/zinc/71/28/14/193712814.db2.gz GPWPSKZROUMEOB-UHFFFAOYSA-N 0 0 305.244 0.808 50 0 DCAARN CCOc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000016604457 182052637 /nfs/dbraw/zinc/05/26/37/182052637.db2.gz UWYZNEHEEMUSJX-UHFFFAOYSA-N 0 0 312.391 0.803 50 0 DCAARN CCNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1C ZINC000016650126 182056110 /nfs/dbraw/zinc/05/61/10/182056110.db2.gz CDLIVSGACISALU-UHFFFAOYSA-N 0 0 300.380 0.760 50 0 DCAARN O=C(NCCN1CCO[C@H](c2ccccc2)C1)C(=O)NC1CC1 ZINC000017178587 182078588 /nfs/dbraw/zinc/07/85/88/182078588.db2.gz CRRQVHUVTJARNN-HNNXBMFYSA-N 0 0 317.389 0.455 50 0 DCAARN CCCn1nnnc1Cn1c2ccccc2nc1S(C)(=O)=O ZINC000018381130 182102056 /nfs/dbraw/zinc/10/20/56/182102056.db2.gz APMLPIKWTPDPHG-UHFFFAOYSA-N 0 0 320.378 0.885 50 0 DCAARN COc1cccc(OC[C@H](O)CN2CCN(CCO)CC2)c1 ZINC000019367380 182120024 /nfs/dbraw/zinc/12/00/24/182120024.db2.gz KJHOZTGNZMVAGW-CQSZACIVSA-N 0 0 310.394 0.045 50 0 DCAARN C[C@@H](C(=O)N1CCN(C)CC1)N1C(=O)c2ccccc2C1=O ZINC000019314403 182114443 /nfs/dbraw/zinc/11/44/43/182114443.db2.gz FZCGIRNYLGVUGK-NSHDSACASA-N 0 0 301.346 0.445 50 0 DCAARN C[C@H](NC(=O)C(=O)NCCN1CCOCC1)c1ccccc1 ZINC000019805129 182152225 /nfs/dbraw/zinc/15/22/25/182152225.db2.gz AVGACXXGDIDLMM-ZDUSSCGKSA-N 0 0 305.378 0.312 50 0 DCAARN CC(=O)O[C@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)OC(C)=O ZINC000019911874 182163693 /nfs/dbraw/zinc/16/36/93/182163693.db2.gz XNZDDCYYLSDAMR-WTVOAAGRSA-N 0 0 318.322 0.753 50 0 DCAARN COc1ccc(N2C[C@@H](C(=O)N3CCN(C)CC3)CC2=O)cc1 ZINC000019928767 182166015 /nfs/dbraw/zinc/16/60/15/182166015.db2.gz FSHAUEUMDBITQL-ZDUSSCGKSA-N 0 0 317.389 0.822 50 0 DCAARN Cc1nc2ncc3c(ccn(CCN4CCOCC4)c3=O)n2n1 ZINC000020103244 182187278 /nfs/dbraw/zinc/18/72/78/182187278.db2.gz HRFRVUQWPZLION-UHFFFAOYSA-N 0 0 314.349 0.080 50 0 DCAARN COc1ccc(S(=O)(=O)NCCc2nnc(N)s2)cc1 ZINC000020201312 182197029 /nfs/dbraw/zinc/19/70/29/182197029.db2.gz WYAVPGJJTHVQRA-UHFFFAOYSA-N 0 0 314.392 0.650 50 0 DCAARN COC(=O)[C@@H](CC1CCCCC1)NC(=O)CN1CCOCC1 ZINC000020389678 182213651 /nfs/dbraw/zinc/21/36/51/182213651.db2.gz RAUQNWKKNCIUPN-CQSZACIVSA-N 0 0 312.410 0.947 50 0 DCAARN CN(C)S(=O)(=O)CCNC(=O)c1c[nH]c(=O)c2ccccc12 ZINC000097655456 193744257 /nfs/dbraw/zinc/74/42/57/193744257.db2.gz ACCJYHULYSTTKS-UHFFFAOYSA-N 0 0 323.374 0.149 50 0 DCAARN O=C(NCCN1CCOCC1)c1nc(-c2cccnc2)no1 ZINC000020489210 182224041 /nfs/dbraw/zinc/22/40/41/182224041.db2.gz IRSWNMCXEUXFSA-UHFFFAOYSA-N 0 0 303.322 0.194 50 0 DCAARN O=C(NCCCN1CCOCC1)c1nc(-c2ccccn2)no1 ZINC000020677151 182243289 /nfs/dbraw/zinc/24/32/89/182243289.db2.gz ATHYBUJXUOZIBP-UHFFFAOYSA-N 0 0 317.349 0.584 50 0 DCAARN CC(C)NC(=O)c1nc(COc2ccc(CC(N)=O)cc2)no1 ZINC000020728345 182244619 /nfs/dbraw/zinc/24/46/19/182244619.db2.gz WCXZYCQCXWPCDY-UHFFFAOYSA-N 0 0 318.333 0.815 50 0 DCAARN CC(C)C(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000020733719 182245389 /nfs/dbraw/zinc/24/53/89/182245389.db2.gz GIUJURGKELOERP-CYBMUJFWSA-N 0 0 317.389 0.928 50 0 DCAARN CN(C)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000021899360 182297541 /nfs/dbraw/zinc/29/75/41/182297541.db2.gz UXAKHCUWCRWMFL-LBPRGKRZSA-N 0 0 312.391 0.846 50 0 DCAARN CC(C)(C)OC(=O)COC(=O)c1csc(S(N)(=O)=O)c1 ZINC000022747944 182332424 /nfs/dbraw/zinc/33/24/24/182332424.db2.gz ZUYMTHCMWFCEOY-UHFFFAOYSA-N 0 0 321.376 0.894 50 0 DCAARN CC(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000022755759 182333109 /nfs/dbraw/zinc/33/31/09/182333109.db2.gz XDYYUGUSSBYZOW-CYBMUJFWSA-N 0 0 303.362 0.600 50 0 DCAARN O=C1OCC[C@@H]1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022929867 182342002 /nfs/dbraw/zinc/34/20/02/182342002.db2.gz WLILDUWFMAVEEE-ZDUSSCGKSA-N 0 0 304.346 0.848 50 0 DCAARN CC(C)NC(=O)CNS(=O)(=O)N1CCc2ccccc2C1 ZINC000022959093 182343353 /nfs/dbraw/zinc/34/33/53/182343353.db2.gz JXGRQQVKLIKJFW-UHFFFAOYSA-N 0 0 311.407 0.404 50 0 DCAARN O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)C1CC1 ZINC000023041341 182345700 /nfs/dbraw/zinc/34/57/00/182345700.db2.gz GMGZKAMGSHOGQK-UHFFFAOYSA-N 0 0 324.402 0.734 50 0 DCAARN CCOC(=O)N1CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC000023081961 182346640 /nfs/dbraw/zinc/34/66/40/182346640.db2.gz SSRGJBIISKHNGT-UHFFFAOYSA-N 0 0 305.334 0.700 50 0 DCAARN CCOc1ccc(CN(C)CN2C(=O)C(=O)N(C)C2=O)cc1 ZINC000023383873 182359029 /nfs/dbraw/zinc/35/90/29/182359029.db2.gz JHFHSYOOZKSAGL-UHFFFAOYSA-N 0 0 305.334 0.895 50 0 DCAARN O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCNC(=O)C1 ZINC000023420540 182360723 /nfs/dbraw/zinc/36/07/23/182360723.db2.gz AHWMTIPYOHHWSX-UHFFFAOYSA-N 0 0 301.346 0.314 50 0 DCAARN Cc1[nH]c(C(=O)N2CCNC(=O)C2)c(C)c1C(=O)OC(C)C ZINC000023419973 182360968 /nfs/dbraw/zinc/36/09/68/182360968.db2.gz YRSPZQVABRYVRU-UHFFFAOYSA-N 0 0 307.350 0.769 50 0 DCAARN CCn1c2ccccc2n(CCC(=O)N2CCNC(=O)C2)c1=O ZINC000023421196 182361023 /nfs/dbraw/zinc/36/10/23/182361023.db2.gz SLFBFOYBQNFYTM-UHFFFAOYSA-N 0 0 316.361 0.171 50 0 DCAARN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCO[C@@H](C)C1 ZINC000024113449 182376014 /nfs/dbraw/zinc/37/60/14/182376014.db2.gz FNTAFAAVKJGXIU-UWVGGRQHSA-N 0 0 304.350 0.904 50 0 DCAARN COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(OCC(N)=O)cc1 ZINC000024726849 182389002 /nfs/dbraw/zinc/38/90/02/182389002.db2.gz MWIQEEYLFOUOPB-ZDUSSCGKSA-N 0 0 322.361 0.868 50 0 DCAARN O=C1[C@H]2CCCN2C(=O)N1C[C@H](O)COc1ccc(F)cc1 ZINC000024719711 182389065 /nfs/dbraw/zinc/38/90/65/182389065.db2.gz JHQVMKVLWMOOQV-WCQYABFASA-N 0 0 308.309 0.992 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)NC[C@@H](C)N1CCOCC1 ZINC000024682559 182386832 /nfs/dbraw/zinc/38/68/32/182386832.db2.gz LRYGVMXWCQSXGI-SECBINFHSA-N 0 0 303.384 0.290 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000025046695 182399547 /nfs/dbraw/zinc/39/95/47/182399547.db2.gz ARSWBSDEXWUUCP-OAHLLOKOSA-N 0 0 319.365 0.099 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1cccc(C)c1 ZINC000025032421 182399646 /nfs/dbraw/zinc/39/96/46/182399646.db2.gz YRWMDDMRMRGHIV-ZDUSSCGKSA-N 0 0 320.345 0.264 50 0 DCAARN Cc1ccnc2nc(C(=O)NCCNC(=O)c3ccccc3)nn21 ZINC000024835461 182392625 /nfs/dbraw/zinc/39/26/25/182392625.db2.gz CYMYZLPSNRRCFU-UHFFFAOYSA-N 0 0 324.344 0.593 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)NCCCOCc1ccccc1 ZINC000025840196 182423660 /nfs/dbraw/zinc/42/36/60/182423660.db2.gz FMHFBYUBLNSTLR-UHFFFAOYSA-N 0 0 317.345 0.260 50 0 DCAARN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)n1cccn1 ZINC000028193801 182510214 /nfs/dbraw/zinc/51/02/14/182510214.db2.gz BYQMFNNQCRIAPR-NSHDSACASA-N 0 0 322.390 0.450 50 0 DCAARN COc1ccc(N[C@H](C)C(N)=O)cc1S(=O)(=O)N(C)C ZINC000028853245 182541728 /nfs/dbraw/zinc/54/17/28/182541728.db2.gz FNSHFJOZMPMBNV-MRVPVSSYSA-N 0 0 301.368 0.231 50 0 DCAARN C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CCO1 ZINC000029442345 182565236 /nfs/dbraw/zinc/56/52/36/182565236.db2.gz XPVSIAJASCGKQU-RISCZKNCSA-N 0 0 316.361 0.354 50 0 DCAARN CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(=O)[nH]c2)c1 ZINC000032769686 182661416 /nfs/dbraw/zinc/66/14/16/182661416.db2.gz NIMHMNRUUAYYNL-UHFFFAOYSA-N 0 0 307.331 0.999 50 0 DCAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc[nH]n1 ZINC000035598217 182781702 /nfs/dbraw/zinc/78/17/02/182781702.db2.gz NSFDJCIKKNFVGG-SNVBAGLBSA-N 0 0 314.305 0.274 50 0 biogenic DCAARN O=C(NCCn1ncccc1=O)c1cncc(Br)c1 ZINC000038510265 183001026 /nfs/dbraw/zinc/00/10/26/183001026.db2.gz VVJBAOKBPQKGEU-UHFFFAOYSA-N 0 0 323.150 0.831 50 0 DCAARN CS(=O)(=O)N1CC[C@H](C(=O)NC2CC2)Oc2ccccc21 ZINC000038850118 183011201 /nfs/dbraw/zinc/01/12/01/183011201.db2.gz MJAVUEPHMQKLDU-CYBMUJFWSA-N 0 0 310.375 0.882 50 0 DCAARN CNC(=O)CN(C)[C@H]1CC(=O)N(CCc2ccccc2)C1=O ZINC000040062497 183030640 /nfs/dbraw/zinc/03/06/40/183030640.db2.gz BYUMHZITERVKQA-ZDUSSCGKSA-N 0 0 303.362 0.034 50 0 DCAARN COc1ccc(CC(=O)NCCN2CCOCC2)c(OC)c1 ZINC000040461186 183069771 /nfs/dbraw/zinc/06/97/71/183069771.db2.gz UYYBRLXWFMFIQW-UHFFFAOYSA-N 0 0 308.378 0.695 50 0 DCAARN COc1ccc(C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 ZINC000040480952 183077057 /nfs/dbraw/zinc/07/70/57/183077057.db2.gz RROQUIXXWDFBKC-UHFFFAOYSA-N 0 0 312.391 0.849 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)c2cccc3c[nH]nc32)CC1 ZINC000040497336 183081659 /nfs/dbraw/zinc/08/16/59/183081659.db2.gz DNGNBIUWHYYKQY-UHFFFAOYSA-N 0 0 322.390 0.717 50 0 DCAARN C[C@@H](Oc1ccc(S(C)(=O)=O)cc1)C(=O)N1CCNC1=O ZINC000040500950 183083838 /nfs/dbraw/zinc/08/38/38/183083838.db2.gz GSKWDVMQEVHIBP-SECBINFHSA-N 0 0 312.347 0.409 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000040502015 183084701 /nfs/dbraw/zinc/08/47/01/183084701.db2.gz DZFMLMPJJRFKEJ-RYUDHWBXSA-N 0 0 316.423 0.136 50 0 DCAARN O=C(NCCCn1cccn1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000040508929 183086214 /nfs/dbraw/zinc/08/62/14/183086214.db2.gz LFHOYWKEHGGEMJ-SNVBAGLBSA-N 0 0 318.299 0.800 50 0 DCAARN CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCc1cccnc1 ZINC000040510480 183087062 /nfs/dbraw/zinc/08/70/62/183087062.db2.gz OIWPROONIJBERV-CYBMUJFWSA-N 0 0 311.407 0.554 50 0 DCAARN C[C@@H]1CN(C(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000040511853 183087452 /nfs/dbraw/zinc/08/74/52/183087452.db2.gz ACZISVXBWXGTBR-PHIMTYICSA-N 0 0 319.427 0.229 50 0 DCAARN COc1ccccc1CN(C)CC(=O)N[C@H]1CCCCNC1=O ZINC000040513625 183088421 /nfs/dbraw/zinc/08/84/21/183088421.db2.gz HBAOFKVNYYLEPY-AWEZNQCLSA-N 0 0 319.405 0.912 50 0 DCAARN Cn1c(=O)ccn(CC(=O)NCCc2cccc(Cl)c2)c1=O ZINC000040513964 183088717 /nfs/dbraw/zinc/08/87/17/183088717.db2.gz UCGSABAXRVAXRY-UHFFFAOYSA-N 0 0 321.764 0.559 50 0 DCAARN CN(C)C(=O)N1CCN(Cn2nnc3ccccc3c2=O)CC1 ZINC000040520039 183090492 /nfs/dbraw/zinc/09/04/92/183090492.db2.gz YFDZOPLRPPCAHA-UHFFFAOYSA-N 0 0 316.365 0.048 50 0 DCAARN Cc1noc(C)c1CS(=O)(=O)[C@@H](C)C(=O)N1CCOCC1 ZINC000040528402 183093614 /nfs/dbraw/zinc/09/36/14/183093614.db2.gz UHZYBVIHWDWYKB-NSHDSACASA-N 0 0 316.379 0.454 50 0 DCAARN CC(C)[C@@H](CNS(=O)(=O)c1cnn(C)c1)N1CCOCC1 ZINC000040528096 183093647 /nfs/dbraw/zinc/09/36/47/183093647.db2.gz FHMQBXWFOJSZDJ-CYBMUJFWSA-N 0 0 316.427 0.055 50 0 DCAARN CC(C)[C@@H](NC(N)=O)C(=O)NCc1ccc2c(c1)OCCO2 ZINC000040457487 183069237 /nfs/dbraw/zinc/06/92/37/183069237.db2.gz CFDFHOUULCCFBB-CYBMUJFWSA-N 0 0 307.350 0.767 50 0 DCAARN CCN(Cc1ccco1)[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000040540553 183097180 /nfs/dbraw/zinc/09/71/80/183097180.db2.gz YGXVLEKWKBDJKM-NWDGAFQWSA-N 0 0 314.407 0.793 50 0 DCAARN CCOc1cc(C)c(S(=O)(=O)N(CCO)CCO)cc1C ZINC000041096544 183165492 /nfs/dbraw/zinc/16/54/92/183165492.db2.gz DIKPGRYBSWEBNN-UHFFFAOYSA-N 0 0 317.407 0.677 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)CCCn2c3ccccc3oc2=O)C1 ZINC000041126534 183168782 /nfs/dbraw/zinc/16/87/82/183168782.db2.gz XPURGGWVFIVESG-NSHDSACASA-N 0 0 317.345 0.709 50 0 DCAARN COc1ccc(CCC(=O)N2CC[C@H](C(N)=O)C2)cc1OC ZINC000041127215 183169782 /nfs/dbraw/zinc/16/97/82/183169782.db2.gz FIPDRBKYERJYRB-LBPRGKRZSA-N 0 0 306.362 0.970 50 0 DCAARN O=C(Cn1cc(Br)ccc1=O)NC[C@@H]1CCOC1 ZINC000041366030 183186932 /nfs/dbraw/zinc/18/69/32/183186932.db2.gz GMUFFLLHKGIDKF-VIFPVBQESA-N 0 0 315.167 0.764 50 0 DCAARN C[C@@H](CO)NC(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000041379677 183188152 /nfs/dbraw/zinc/18/81/52/183188152.db2.gz VAEZYXGTARCMAC-VKHMYHEASA-N 0 0 312.194 0.818 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN([C@H](C(N)=O)c2ccccc2)C1 ZINC000041622421 183211100 /nfs/dbraw/zinc/21/11/00/183211100.db2.gz ILDKEEVBDRSINW-OLZOCXBDSA-N 0 0 311.407 0.227 50 0 DCAARN Cc1cc(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)no1 ZINC000041648697 183213380 /nfs/dbraw/zinc/21/33/80/183213380.db2.gz OKLNHABOPJIVAB-SECBINFHSA-N 0 0 302.356 0.529 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CCOc2ccccc21 ZINC000042106248 183232646 /nfs/dbraw/zinc/23/26/46/183232646.db2.gz BEWKPEYGDNJOHE-ZDUSSCGKSA-N 0 0 324.402 0.357 50 0 DCAARN C[C@H](Cc1ccco1)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000042381854 183261499 /nfs/dbraw/zinc/26/14/99/183261499.db2.gz OKFUAFKIWLOVQR-LLVKDONJSA-N 0 0 314.407 0.998 50 0 DCAARN CCNC(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000042384400 183262731 /nfs/dbraw/zinc/26/27/31/183262731.db2.gz QOWPVHBKJAODNG-UHFFFAOYSA-N 0 0 300.403 0.858 50 0 DCAARN O=C(Cc1noc2ccccc21)NC[C@@H]1CCS(=O)(=O)C1 ZINC000042383725 183262779 /nfs/dbraw/zinc/26/27/79/183262779.db2.gz KWHAIMCEJHPTGV-JTQLQIEISA-N 0 0 308.359 0.921 50 0 DCAARN NC(=O)CN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000043122442 183338992 /nfs/dbraw/zinc/33/89/92/183338992.db2.gz RWSMDMLYBVGDIQ-CABCVRRESA-N 0 0 319.380 0.995 50 0 DCAARN NC(=O)CN1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000043122440 183339186 /nfs/dbraw/zinc/33/91/86/183339186.db2.gz RWSMDMLYBVGDIQ-GJZGRUSLSA-N 0 0 319.380 0.995 50 0 DCAARN Cn1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1=O ZINC000043083040 183335310 /nfs/dbraw/zinc/33/53/10/183335310.db2.gz MVPNLFPZNWXIER-UHFFFAOYSA-N 0 0 320.370 0.719 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)COC)c1 ZINC000044973264 183470186 /nfs/dbraw/zinc/47/01/86/183470186.db2.gz AZSCIVFVOWQPDN-JTQLQIEISA-N 0 0 300.380 0.702 50 0 DCAARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCCCn1cccn1 ZINC000045905201 183535515 /nfs/dbraw/zinc/53/55/15/183535515.db2.gz HKMNNAPCGRZHRW-CHWSQXEVSA-N 0 0 318.377 0.565 50 0 DCAARN CN(C)c1ncccc1CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000046946010 183574679 /nfs/dbraw/zinc/57/46/79/183574679.db2.gz MZBGSAWMWIXUBT-LBPRGKRZSA-N 0 0 305.382 0.555 50 0 DCAARN O=C(NCc1ccccc1Cn1cncn1)[C@H]1CCC(=O)NC1 ZINC000047856525 183606536 /nfs/dbraw/zinc/60/65/36/183606536.db2.gz RLUHOEZYHLFPLJ-ZDUSSCGKSA-N 0 0 313.361 0.469 50 0 DCAARN C[C@H](CN1CCOCC1)NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000106562646 194231077 /nfs/dbraw/zinc/23/10/77/194231077.db2.gz QTOYWAZGNHJULI-QWHCGFSZSA-N 0 0 305.444 0.273 50 0 DCAARN C[C@H](NS(=O)(=O)N1CCCC[C@@H]1C)C(=O)NC(C)(C)C ZINC000049443196 183731185 /nfs/dbraw/zinc/73/11/85/183731185.db2.gz DANYIDZQAVWPEG-QWRGUYRKSA-N 0 0 305.444 0.998 50 0 DCAARN O=C(N[C@@H]1CCCCNC1=O)c1ccnc(-n2cncn2)c1 ZINC000053807450 183913081 /nfs/dbraw/zinc/91/30/81/183913081.db2.gz QEAQLAFWHNTASE-LLVKDONJSA-N 0 0 300.322 0.061 50 0 DCAARN CC(=O)NCCNC(=O)c1sc(-c2ncccn2)nc1C ZINC000054959247 183955890 /nfs/dbraw/zinc/95/58/90/183955890.db2.gz SKQJXTYITNKTNT-UHFFFAOYSA-N 0 0 305.363 0.774 50 0 DCAARN Cc1ccc(N2C[C@@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1F ZINC000057050672 184025810 /nfs/dbraw/zinc/02/58/10/184025810.db2.gz DSAFIZMFZVVMKV-JTQLQIEISA-N 0 0 321.352 0.867 50 0 DCAARN CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)N(C)C)c1 ZINC000057279476 184031471 /nfs/dbraw/zinc/03/14/71/184031471.db2.gz TXHWEISQRMXOEW-UHFFFAOYSA-N 0 0 311.367 0.619 50 0 DCAARN Cc1c(C(=O)N2CC[C@H](C(N)=O)C2)nnn1-c1cccc(C)c1 ZINC000056877261 184020867 /nfs/dbraw/zinc/02/08/67/184020867.db2.gz UTGCVTJIZQBNFO-LBPRGKRZSA-N 0 0 313.361 0.832 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccc(-n2cccn2)cc1 ZINC000057368102 184036421 /nfs/dbraw/zinc/03/64/21/184036421.db2.gz GPYXBVVLJMFBRD-LBPRGKRZSA-N 0 0 313.317 0.087 50 0 DCAARN COC(=O)c1c[nH]nc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000057478142 184039699 /nfs/dbraw/zinc/03/96/99/184039699.db2.gz WJBQHBXZLDRLBH-UHFFFAOYSA-N 0 0 321.358 0.943 50 0 DCAARN Cc1cc(-n2c(C)cn(CC(=O)NCC(F)(F)F)c2=O)no1 ZINC000058179795 184085322 /nfs/dbraw/zinc/08/53/22/184085322.db2.gz NEDTYFOEXCKWRB-UHFFFAOYSA-N 0 0 318.255 0.922 50 0 DCAARN CCCc1noc([C@@H](C)N2CCN(CC(=O)N(C)C)CC2)n1 ZINC000058218864 184089958 /nfs/dbraw/zinc/08/99/58/184089958.db2.gz UZOUUVPMFVBNLU-GFCCVEGCSA-N 0 0 309.414 0.789 50 0 DCAARN O=c1n(CCOc2ccc(-n3cnnn3)cc2)nc2ccccn21 ZINC000058130606 184078884 /nfs/dbraw/zinc/07/88/84/184078884.db2.gz KHTVODDDVONWKO-UHFFFAOYSA-N 0 0 323.316 0.551 50 0 DCAARN CCCNC(=O)NC(=O)Cn1c(=O)onc1-c1ccccc1 ZINC000058294822 184101792 /nfs/dbraw/zinc/10/17/92/184101792.db2.gz XBHSXXJNWSMIGT-UHFFFAOYSA-N 0 0 304.306 0.739 50 0 DCAARN NC(=O)c1ccc(C(=O)NC[C@H](O)c2ccc(F)c(F)c2)nc1 ZINC000058432585 184117887 /nfs/dbraw/zinc/11/78/87/184117887.db2.gz RWSOAFKJBYRLNF-ZDUSSCGKSA-N 0 0 321.283 0.922 50 0 DCAARN COc1ccc2cc(C(=O)N3CCO[C@@H](C(N)=O)C3)[nH]c2c1 ZINC000058434305 184118335 /nfs/dbraw/zinc/11/83/35/184118335.db2.gz IDSWBNAYRCQRIV-CYBMUJFWSA-N 0 0 303.318 0.503 50 0 DCAARN CCSc1ccc(NC(=O)NCCNS(C)(=O)=O)cn1 ZINC000058438435 184118565 /nfs/dbraw/zinc/11/85/65/184118565.db2.gz SYFCPBTZUWBHDN-UHFFFAOYSA-N 0 0 318.424 0.864 50 0 DCAARN COc1cccc(CN(C[C@@H]2CCCO2)S(N)(=O)=O)c1 ZINC000064402616 184296718 /nfs/dbraw/zinc/29/67/18/184296718.db2.gz YYJNJWYBXKPABU-ZDUSSCGKSA-N 0 0 300.380 0.880 50 0 DCAARN CCNC(=O)CN1CCN(Cc2ccc(C)cc2)C(=O)C1=O ZINC000064888681 184305820 /nfs/dbraw/zinc/30/58/20/184305820.db2.gz ROUYDYBEWXPRMB-UHFFFAOYSA-N 0 0 303.362 0.302 50 0 DCAARN CN(C)c1cc(O[C@H]2CCN(C(=O)c3ccnn3C)C2)ncn1 ZINC000065269341 184320301 /nfs/dbraw/zinc/32/03/01/184320301.db2.gz ZZGDZSQPMYLYPT-NSHDSACASA-N 0 0 316.365 0.570 50 0 DCAARN NC(=O)CNC(=O)c1nc(-c2ccsc2)nc2c1OCCO2 ZINC000065293232 184324011 /nfs/dbraw/zinc/32/40/11/184324011.db2.gz KCBXNOAFIDUFCA-UHFFFAOYSA-N 0 0 320.330 0.191 50 0 DCAARN COc1ccc(-n2c(Cn3ccnc3)n[nH]c2=O)cc1OC ZINC000065376324 184331275 /nfs/dbraw/zinc/33/12/75/184331275.db2.gz QZQGQCAWQAAVSL-UHFFFAOYSA-N 0 0 301.306 0.823 50 0 DCAARN O=C(NCCc1ccccc1)N1CCN2CCNC(=O)[C@H]2C1 ZINC000065380588 184331809 /nfs/dbraw/zinc/33/18/09/184331809.db2.gz HPEVUYDNHQDJFY-CQSZACIVSA-N 0 0 302.378 0.055 50 0 DCAARN COCC(=O)N1CCC[C@H](C(=O)N(C)CCn2ccnc2C)C1 ZINC000065408717 184339461 /nfs/dbraw/zinc/33/94/61/184339461.db2.gz WPWZNKOTAQZGCR-AWEZNQCLSA-N 0 0 322.409 0.535 50 0 DCAARN CC(C)N1C[C@H](C(=O)NCCNC(=O)OC(C)(C)C)CC1=O ZINC000065411677 184340603 /nfs/dbraw/zinc/34/06/03/184340603.db2.gz KLGSJNRSJXADSR-LLVKDONJSA-N 0 0 313.398 0.884 50 0 DCAARN CN1CCN2CCN(Cc3nc4c(s3)CCCC4)C[C@@H]2C1=O ZINC000065430463 184343743 /nfs/dbraw/zinc/34/37/43/184343743.db2.gz JQHSAPXOEWWIKA-CYBMUJFWSA-N 0 0 320.462 0.980 50 0 DCAARN CC(C)Cc1n[nH]c(CCN(C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000065453674 184346729 /nfs/dbraw/zinc/34/67/29/184346729.db2.gz PKVHWVSZMPUCOD-LLVKDONJSA-N 0 0 300.428 0.665 50 0 DCAARN Cc1cc(C)c(CNC(=O)CN(C)c2cnccn2)c(=O)[nH]1 ZINC000065462998 184349390 /nfs/dbraw/zinc/34/93/90/184349390.db2.gz SXTLXLMBZOKFMZ-UHFFFAOYSA-N 0 0 301.350 0.534 50 0 DCAARN COc1cc(CNC(=O)c2cnsn2)ccc1OCC(N)=O ZINC000065473649 184350832 /nfs/dbraw/zinc/35/08/32/184350832.db2.gz ITMBBMOPUGCTSQ-UHFFFAOYSA-N 0 0 322.346 0.341 50 0 DCAARN CC1(C)C[C@H](C(=O)N2CCn3c(C(N)=O)cnc3C2)CCO1 ZINC000065398285 184335788 /nfs/dbraw/zinc/33/57/88/184335788.db2.gz PRDDLYCCQRTJCI-SNVBAGLBSA-N 0 0 306.366 0.529 50 0 DCAARN Cc1noc([C@H](C)N2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000065610635 184373052 /nfs/dbraw/zinc/37/30/52/184373052.db2.gz IBJQXGBEWNGJLU-LBPRGKRZSA-N 0 0 307.398 0.679 50 0 DCAARN CC(=O)Nc1ccc(CNC(=O)CN[C@@H](C)c2nc[nH]n2)cc1 ZINC000065536023 184362419 /nfs/dbraw/zinc/36/24/19/184362419.db2.gz FADXNAMRLZOFKU-JTQLQIEISA-N 0 0 316.365 0.730 50 0 DCAARN C[C@@H](c1cc(F)ccc1F)N(C)CC(=O)N1CCNC(=O)C1 ZINC000065549215 184364194 /nfs/dbraw/zinc/36/41/94/184364194.db2.gz XFTWSUXZGCBSNN-JTQLQIEISA-N 0 0 311.332 0.916 50 0 DCAARN CCC(=O)N[C@H]1CCCN(c2ncnc3c2CN(C)CC3)C1 ZINC000065590821 184369907 /nfs/dbraw/zinc/36/99/07/184369907.db2.gz IIJFUGJEKRHHKV-LBPRGKRZSA-N 0 0 303.410 0.960 50 0 DCAARN COc1ccc(CNc2ncnc3c2cnn3CCO)cn1 ZINC000065498560 184355378 /nfs/dbraw/zinc/35/53/78/184355378.db2.gz LYRRFQHZMIHKQG-UHFFFAOYSA-N 0 0 300.322 0.834 50 0 DCAARN COC[C@@]1(C)NC(=O)N(CC(=O)NCc2ccccc2F)C1=O ZINC000066083222 184388000 /nfs/dbraw/zinc/38/80/00/184388000.db2.gz WLYOTLFVJXLHTA-OAHLLOKOSA-N 0 0 323.324 0.399 50 0 DCAARN C[C@@H](C(=O)NCC(F)(F)F)N1CCC(N2CCNC2=O)CC1 ZINC000065624382 184375531 /nfs/dbraw/zinc/37/55/31/184375531.db2.gz TWBFDIHVACWCPD-VIFPVBQESA-N 0 0 322.331 0.543 50 0 DCAARN COc1ccccc1COC[C@H](O)CN1C(=O)CN(C)C1=O ZINC000066237367 184398656 /nfs/dbraw/zinc/39/86/56/184398656.db2.gz ABYSSMSXUUVEBV-GFCCVEGCSA-N 0 0 308.334 0.467 50 0 DCAARN O=C(Cn1c(=O)onc1-c1ncccn1)N1CCc2ccccc21 ZINC000069455283 184516298 /nfs/dbraw/zinc/51/62/98/184516298.db2.gz VPLUICYYCBBFFQ-UHFFFAOYSA-N 0 0 323.312 0.883 50 0 DCAARN CNC(=O)[C@H](CC(C)C)NC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000069456628 184516764 /nfs/dbraw/zinc/51/67/64/184516764.db2.gz WAEKTPHROKCJQL-NSHDSACASA-N 0 0 318.381 0.632 50 0 DCAARN Cc1noc([C@@H](C)N2CCN(CCCS(C)(=O)=O)CC2)n1 ZINC000069534229 184523840 /nfs/dbraw/zinc/52/38/40/184523840.db2.gz WOWJELRPQRBZPY-LLVKDONJSA-N 0 0 316.427 0.491 50 0 DCAARN COc1ccc(COCC(=O)N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000069517493 184521876 /nfs/dbraw/zinc/52/18/76/184521876.db2.gz CNTSFHJOFNIFFT-CYBMUJFWSA-N 0 0 306.362 0.936 50 0 DCAARN O=c1c2nnn(-c3ccccc3)c2ncn1C[C@H]1COCCO1 ZINC000329227367 285215370 /nfs/dbraw/zinc/21/53/70/285215370.db2.gz BDQWPPNMSYUASP-LBPRGKRZSA-N 0 0 313.317 0.393 50 0 DCAARN O=c1c2nnc3ncnn3c2ccn1-c1ccc2c(c1)OCCO2 ZINC000071385208 285215451 /nfs/dbraw/zinc/21/54/51/285215451.db2.gz GFHPLZUDBKDCGY-UHFFFAOYSA-N 0 0 322.284 0.595 50 0 DCAARN Nc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)[nH]n1 ZINC000095379163 257272001 /nfs/dbraw/zinc/27/20/01/257272001.db2.gz YRAUBHLJDBLFKV-NWDGAFQWSA-N 0 0 317.393 0.855 50 0 DCAARN Cc1cc(C)n2nc(CC(=O)N(C)Cc3nccn3C)nc2n1 ZINC000119906495 257242548 /nfs/dbraw/zinc/24/25/48/257242548.db2.gz VXJIPXBXPHJMLU-UHFFFAOYSA-N 0 0 313.365 0.676 50 0 DCAARN CCc1n[nH]c2c1CN(C(=O)[C@@H](C)N1CCN(C)CC1)CC2 ZINC000426689895 257244055 /nfs/dbraw/zinc/24/40/55/257244055.db2.gz QJRKMGCERCLAIQ-GFCCVEGCSA-N 0 0 305.426 0.493 50 0 DCAARN O=C(NCCCC1CCCC1)c1cc2n(n1)C[C@H](O)CNC2=O ZINC000426620283 257245485 /nfs/dbraw/zinc/24/54/85/257245485.db2.gz RXTSQAXEAYJCPY-GFCCVEGCSA-N 0 0 320.393 0.688 50 0 DCAARN Cn1nccc1CCC(=O)NC1CCN(c2cnccn2)CC1 ZINC000426548771 257246969 /nfs/dbraw/zinc/24/69/69/257246969.db2.gz LLXIXMIOUSLCNU-UHFFFAOYSA-N 0 0 314.393 0.928 50 0 DCAARN COCCN(CC(=O)[O-])C(=O)C[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000426517611 257247409 /nfs/dbraw/zinc/24/74/09/257247409.db2.gz RWANWGPUVJRHJF-LBPRGKRZSA-N 0 0 302.371 0.045 50 0 DCAARN C[C@H](C(=O)NCCCNc1cccnc1)N1CCN(C)CC1 ZINC000426514668 257247846 /nfs/dbraw/zinc/24/78/46/257247846.db2.gz OEHKHRDHFHQZAM-CQSZACIVSA-N 0 0 305.426 0.636 50 0 DCAARN Cc1nn(C)cc1CNC(=O)N1CCN(c2cnccn2)CC1 ZINC000426503202 257248315 /nfs/dbraw/zinc/24/83/15/257248315.db2.gz APSZORCRRFUEDM-UHFFFAOYSA-N 0 0 315.381 0.550 50 0 DCAARN CC(CO)(CO)NC(=O)c1ccc(-c2cccc(N)n2)cc1 ZINC000426478861 257249039 /nfs/dbraw/zinc/24/90/39/257249039.db2.gz HQTMYVPKTLLJPZ-UHFFFAOYSA-N 0 0 301.346 0.804 50 0 DCAARN O=C(Cn1ccccc1=O)N1CCC[C@H]1C(=O)N1CCCCC1 ZINC000426477450 257249041 /nfs/dbraw/zinc/24/90/41/257249041.db2.gz VFDSYIKAGLUQOG-AWEZNQCLSA-N 0 0 317.389 0.852 50 0 DCAARN Cc1ncc(C(=O)NCC[C@@H]2CCCCN2S(C)(=O)=O)[nH]1 ZINC000426440385 257250166 /nfs/dbraw/zinc/25/01/66/257250166.db2.gz VPSZRQZOLQIBKD-NSHDSACASA-N 0 0 314.411 0.652 50 0 DCAARN CSc1ncc(CNC(=O)[C@@H](C)N2CCN(C)CC2)n1C ZINC000426396371 257252229 /nfs/dbraw/zinc/25/22/29/257252229.db2.gz GHHKLSRJGWIDLD-LLVKDONJSA-N 0 0 311.455 0.394 50 0 DCAARN COc1ccnc(N2CCN(C(=O)c3cc(C)on3)CC2)n1 ZINC000071830310 184859274 /nfs/dbraw/zinc/85/92/74/184859274.db2.gz JZCOQCKZBPAKBI-UHFFFAOYSA-N 0 0 303.322 0.744 50 0 DCAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCNC(=O)CC1 ZINC000071839610 184864951 /nfs/dbraw/zinc/86/49/51/184864951.db2.gz WLDZYBHDMPDHHX-LBPRGKRZSA-N 0 0 319.386 0.838 50 0 DCAARN O=S(=O)(NN1CCOCC1)c1ccc(Br)cc1 ZINC000000474499 296459831 /nfs/dbraw/zinc/45/98/31/296459831.db2.gz MUJJUACHAFOJFQ-UHFFFAOYSA-N 0 0 321.196 0.975 50 0 DCAARN COCCNC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1 ZINC000008263220 395684294 /nfs/dbraw/zinc/68/42/94/395684294.db2.gz JLXMZFCXJUPOAU-UHFFFAOYSA-N 0 0 313.785 0.973 50 0 DCAARN COc1ccc(OC)c([C@H](C)N[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 ZINC000008428771 395684657 /nfs/dbraw/zinc/68/46/57/395684657.db2.gz AYTDWXOWMXYDFL-BIMULSAOSA-N 0 0 315.391 0.512 50 0 DCAARN CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000008429338 395684671 /nfs/dbraw/zinc/68/46/71/395684671.db2.gz SDHJJTRQLAAMTF-UHFFFAOYSA-N 0 0 323.374 0.034 50 0 DCAARN CCc1ccc(-n2nc(CO)c(C(=O)NCCOC)n2)cc1 ZINC000008613729 395684748 /nfs/dbraw/zinc/68/47/48/395684748.db2.gz ZVQHTNNJQKBIFO-UHFFFAOYSA-N 0 0 304.350 0.698 50 0 DCAARN Cc1sc2[nH]c(SCC(=O)NCCO)nc(=O)c2c1C ZINC000008742812 395684877 /nfs/dbraw/zinc/68/48/77/395684877.db2.gz ICCYYTXQEBNXNT-UHFFFAOYSA-N 0 0 313.404 0.802 50 0 in-vitro DCAARN Cc1ccc(N(C)S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008844139 395684899 /nfs/dbraw/zinc/68/48/99/395684899.db2.gz SJNNCLYPEVQGDG-GFCCVEGCSA-N 0 0 303.405 0.948 50 0 DCAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)Cn2cncn2)cc1 ZINC000008714443 395684936 /nfs/dbraw/zinc/68/49/36/395684936.db2.gz FSRWVBKQCJSFNR-SNVBAGLBSA-N 0 0 323.378 0.604 50 0 DCAARN Cc1n[nH]c(C)c1S(=O)(=O)N(C)c1ccccc1C(N)=O ZINC000008726466 395684963 /nfs/dbraw/zinc/68/49/63/395684963.db2.gz XGDPFIUNNMZDQZ-UHFFFAOYSA-N 0 0 308.363 0.951 50 0 DCAARN Cn1c(=O)c2[nH]c(=O)c(CCc3ccccc3)nc2n(C)c1=O ZINC000008986733 395685078 /nfs/dbraw/zinc/68/50/78/395685078.db2.gz BLNBYWKZTZQXJG-UHFFFAOYSA-N 0 0 312.329 0.106 50 0 DCAARN Cc1nc(Sc2nc3c(n2C)n(C)c(=O)n(C)c3=O)oc1C ZINC000009146159 395685110 /nfs/dbraw/zinc/68/51/10/395685110.db2.gz UMKCCKPBEIQVNB-UHFFFAOYSA-N 0 0 321.362 0.727 50 0 DCAARN NC(=O)C1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 ZINC000009183826 395685190 /nfs/dbraw/zinc/68/51/90/395685190.db2.gz ZORWNNCVYNFWRI-UHFFFAOYSA-N 0 0 314.345 0.190 50 0 DCAARN O=c1c(=O)c(N2CCOCC2)c1-c1ccc2c(c1)OCC(=O)N2 ZINC000009274036 395685198 /nfs/dbraw/zinc/68/51/98/395685198.db2.gz GYVDZIPFTFCIMF-UHFFFAOYSA-N 0 0 314.297 0.117 50 0 DCAARN NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000010612700 395686194 /nfs/dbraw/zinc/68/61/94/395686194.db2.gz VSWSYPYMKADKCO-UHFFFAOYSA-N 0 0 301.331 0.686 50 0 DCAARN C[C@H]1CCCCN1C(=O)Cn1nnn(-c2cccs2)c1=O ZINC000010812876 395686238 /nfs/dbraw/zinc/68/62/38/395686238.db2.gz PHBMIIWROGLEST-JTQLQIEISA-N 0 0 307.379 0.892 50 0 DCAARN CNC(=O)COC(=O)c1ccccc1OCc1noc(C)n1 ZINC000012078440 395686986 /nfs/dbraw/zinc/68/69/86/395686986.db2.gz YYTMXXQWEBFAQO-UHFFFAOYSA-N 0 0 305.290 0.860 50 0 DCAARN COCCN1CCC[C@@]2(CCN(C(=O)c3cc(C)n[nH]3)C2)C1=O ZINC000012303292 395687535 /nfs/dbraw/zinc/68/75/35/395687535.db2.gz NWCUMQGDUZEWEH-INIZCTEOSA-N 0 0 320.393 0.819 50 0 DCAARN CCCCCn1c(SCCO)nc2c1c(=O)[nH]c(=O)n2C ZINC000012531997 395687799 /nfs/dbraw/zinc/68/77/99/395687799.db2.gz FGROHULIKPBAOA-UHFFFAOYSA-N 0 0 312.395 0.698 50 0 DCAARN Cc1nc(C(=O)Nc2ccc(C(N)=O)cc2)nn1-c1nc[nH]n1 ZINC000012792881 395687955 /nfs/dbraw/zinc/68/79/55/395687955.db2.gz ZCZPDHBYDYHDSQ-UHFFFAOYSA-N 0 0 312.293 0.045 50 0 DCAARN Cn1cc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cn1 ZINC000012848257 395688062 /nfs/dbraw/zinc/68/80/62/395688062.db2.gz MQPNCROEKRHCHE-UHFFFAOYSA-N 0 0 317.301 0.622 50 0 DCAARN COC(=O)[C@H](C)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000012874540 395688134 /nfs/dbraw/zinc/68/81/34/395688134.db2.gz RFCRXKHQOLBDFA-NSHDSACASA-N 0 0 315.329 0.583 50 0 DCAARN CCOC(=O)CCCNC(=O)CSc1nnnn1CC ZINC000012983026 395688235 /nfs/dbraw/zinc/68/82/35/395688235.db2.gz GUGMKVTYZBMWBO-UHFFFAOYSA-N 0 0 301.372 0.245 50 0 DCAARN CCONC(=O)CCNS(=O)(=O)c1ccc(OCC)cc1 ZINC000013012796 395688287 /nfs/dbraw/zinc/68/82/87/395688287.db2.gz AMOGZHCPOFMGAW-UHFFFAOYSA-N 0 0 316.379 0.821 50 0 DCAARN CS(=O)(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000013323683 395688585 /nfs/dbraw/zinc/68/85/85/395688585.db2.gz HPPJKINNNQKQQE-UHFFFAOYSA-N 0 0 315.370 0.341 50 0 DCAARN Cn1ccnc1N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000013694358 395688760 /nfs/dbraw/zinc/68/87/60/395688760.db2.gz OLJGSNITFIXVSO-UHFFFAOYSA-N 0 0 313.405 0.859 50 0 DCAARN CC(C)NC(=O)CNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000013691189 395688882 /nfs/dbraw/zinc/68/88/82/395688882.db2.gz POSPTUPATQBNSI-UHFFFAOYSA-N 0 0 302.334 0.747 50 0 DCAARN O=C(C[C@@H]1C(=O)Nc2ncnn21)Nc1ccc2c(c1)OCCO2 ZINC000013731980 395688928 /nfs/dbraw/zinc/68/89/28/395688928.db2.gz SQLRWZLFBSBHJO-SECBINFHSA-N 0 0 315.289 0.571 50 0 DCAARN CCCCOC(=O)C1=C(C)N[C@]2(O)c3ccccc3C(=O)[C@@]12O ZINC000013739322 395688988 /nfs/dbraw/zinc/68/89/88/395688988.db2.gz MIQWYWWCDGGBGC-IRXDYDNUSA-N 0 0 317.341 0.980 50 0 DCAARN CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCOCC1 ZINC000014185181 395689320 /nfs/dbraw/zinc/68/93/20/395689320.db2.gz GLOLQXOYUFYREI-NSHDSACASA-N 0 0 312.391 0.990 50 0 DCAARN CCCn1c(=O)[nH]nc1SCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000014201377 395689326 /nfs/dbraw/zinc/68/93/26/395689326.db2.gz KYELVDCVZXWYEP-UWVGGRQHSA-N 0 0 314.411 0.709 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(N)=O)CC2)s1 ZINC000015097960 395689763 /nfs/dbraw/zinc/68/97/63/395689763.db2.gz KWKOCOKKBMJANV-JTQLQIEISA-N 0 0 317.436 0.237 50 0 DCAARN O=S1(=O)C[C@H](O)[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020650558 395691306 /nfs/dbraw/zinc/69/13/06/395691306.db2.gz STXMHHKAALOWCT-KGLIPLIRSA-N 0 0 314.382 0.106 50 0 DCAARN COCCNC(=O)[C@@H]1CCCN(c2ncnc3onc(C)c32)C1 ZINC000020579425 395691355 /nfs/dbraw/zinc/69/13/55/395691355.db2.gz QQVYYBMSLFSJST-LLVKDONJSA-N 0 0 319.365 0.905 50 0 DCAARN COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC1CC1 ZINC000000382779 395680326 /nfs/dbraw/zinc/68/03/26/395680326.db2.gz GOVLASMCOPHBKC-UHFFFAOYSA-N 0 0 312.391 0.903 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000001053971 395680609 /nfs/dbraw/zinc/68/06/09/395680609.db2.gz MMBVJWYIAWQDHB-UHFFFAOYSA-N 0 0 312.347 0.133 50 0 DCAARN COC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000798591 395680612 /nfs/dbraw/zinc/68/06/12/395680612.db2.gz RFQRJPFONGHWBC-UHFFFAOYSA-N 0 0 315.347 0.259 50 0 DCAARN CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)NC1CCCCC1 ZINC000001430605 395680770 /nfs/dbraw/zinc/68/07/70/395680770.db2.gz XJQNVCUBXUXZDU-LBPRGKRZSA-N 0 0 311.382 0.782 50 0 DCAARN CCOC(=O)[C@H]1C(=O)NC(N2CCOCC2)=N[C@@H]1c1ccco1 ZINC000002436913 395681560 /nfs/dbraw/zinc/68/15/60/395681560.db2.gz UUNXEQBSBBXKBH-VXGBXAGGSA-N 0 0 321.333 0.318 50 0 DCAARN CC(=O)NCCNS(=O)(=O)c1cccc2nsnc21 ZINC000002913935 395682049 /nfs/dbraw/zinc/68/20/49/395682049.db2.gz UAALZVYQXXLSNT-UHFFFAOYSA-N 0 0 300.365 0.106 50 0 DCAARN CCNC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000002959417 395682203 /nfs/dbraw/zinc/68/22/03/395682203.db2.gz ONVKYXZHCKDBEW-UHFFFAOYSA-N 0 0 300.380 0.906 50 0 DCAARN COC(=O)[C@@H](NC=O)[C@@](O)(Cc1ccccc1)C(F)(F)F ZINC000003102125 395682296 /nfs/dbraw/zinc/68/22/96/395682296.db2.gz ABMFGIMJEWDYRN-PWSUYJOCSA-N 0 0 305.252 0.810 50 0 DCAARN COc1ccc(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000003268562 395682436 /nfs/dbraw/zinc/68/24/36/395682436.db2.gz HPULWQDUYJRIPB-NSHDSACASA-N 0 0 305.377 0.624 50 0 DCAARN COc1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000006741982 395683075 /nfs/dbraw/zinc/68/30/75/395683075.db2.gz CNCQCTMQJZDRQT-UHFFFAOYSA-N 0 0 313.379 0.804 50 0 DCAARN O=C(COC(=O)Cn1cnnn1)N[C@@H]1CCCc2ccccc21 ZINC000007036345 395683231 /nfs/dbraw/zinc/68/32/31/395683231.db2.gz XDTFNXVRHJQEQJ-CYBMUJFWSA-N 0 0 315.333 0.410 50 0 DCAARN COc1cccc(N2CCN(C(=O)C3=NNC(=O)CC3)CC2)c1 ZINC000007983789 395683885 /nfs/dbraw/zinc/68/38/85/395683885.db2.gz PJVVXXGXUXUZRR-UHFFFAOYSA-N 0 0 316.361 0.610 50 0 DCAARN Cc1nn(C)c2nc(C)c(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc12 ZINC000029793559 395699955 /nfs/dbraw/zinc/69/99/55/395699955.db2.gz QRTBJXWUSQJOPT-SNVBAGLBSA-N 0 0 322.390 0.502 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CCN(C[C@H](O)C2CC2)CC1 ZINC000085436699 395700424 /nfs/dbraw/zinc/70/04/24/395700424.db2.gz VWWGAAWKGXHONP-HNNXBMFYSA-N 0 0 307.394 0.749 50 0 DCAARN C[C@@H]1CN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CCO1 ZINC000029986668 395701398 /nfs/dbraw/zinc/70/13/98/395701398.db2.gz HDTUFJONUYRVPL-LLVKDONJSA-N 0 0 317.345 0.740 50 0 DCAARN Cc1cc(CN(C)C(=O)C2CCN(S(C)(=O)=O)CC2)no1 ZINC000031658175 395707790 /nfs/dbraw/zinc/70/77/90/395707790.db2.gz WSOBBCDLIBKHRR-UHFFFAOYSA-N 0 0 315.395 0.613 50 0 DCAARN COCCCNC(=O)c1nc(COc2c(=O)ccoc2C)no1 ZINC000032073855 395708835 /nfs/dbraw/zinc/70/88/35/395708835.db2.gz QKIISPAJJXBJDW-UHFFFAOYSA-N 0 0 323.305 0.677 50 0 DCAARN CCS(=O)(=O)NCCCN1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000089274462 395709438 /nfs/dbraw/zinc/70/94/38/395709438.db2.gz VZYAWGCKCJTFHR-QWHCGFSZSA-N 0 0 317.455 0.116 50 0 DCAARN CN1C[C@H](C(=O)NCc2ccc(N3CCOCC3)nc2)CC1=O ZINC000032296081 395710308 /nfs/dbraw/zinc/71/03/08/395710308.db2.gz HBRJBYSAAGYQJB-CYBMUJFWSA-N 0 0 318.377 0.013 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC(c2ccccc2)CC1 ZINC000032366803 395710705 /nfs/dbraw/zinc/71/07/05/395710705.db2.gz CEJBEHYUODNKMF-UHFFFAOYSA-N 0 0 313.357 0.943 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCc1ccoc1 ZINC000089486710 395712455 /nfs/dbraw/zinc/71/24/55/395712455.db2.gz YIEXZPYUHBCTAB-LBPRGKRZSA-N 0 0 315.395 0.893 50 0 DCAARN NC(=O)C1CCN(CC(=O)NCCOc2ccccc2)CC1 ZINC000032751297 395712659 /nfs/dbraw/zinc/71/26/59/395712659.db2.gz UVQULWKBSRRAQH-UHFFFAOYSA-N 0 0 305.378 0.379 50 0 DCAARN CCc1nnsc1C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000032771052 395713310 /nfs/dbraw/zinc/71/33/10/395713310.db2.gz HOHZMMGFAYZPJI-UHFFFAOYSA-N 0 0 318.424 0.254 50 0 DCAARN C[C@H](NCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1F ZINC000032811063 395713592 /nfs/dbraw/zinc/71/35/92/395713592.db2.gz XZXJSMUNNTZUDI-WDEREUQCSA-N 0 0 314.382 0.780 50 0 DCAARN CC(=O)N[C@H](C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000032828367 395713780 /nfs/dbraw/zinc/71/37/80/395713780.db2.gz TUYOCKFILANZFW-CXTNEJHOSA-N 0 0 313.442 0.761 50 0 DCAARN COc1ccc(OC)c(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032831606 395714225 /nfs/dbraw/zinc/71/42/25/395714225.db2.gz VEMOZJYXQZXSFF-CABZTGNLSA-N 0 0 311.359 0.854 50 0 DCAARN C[C@H](NS(=O)(=O)N1CCOCC1)c1ccc2c(c1)OCO2 ZINC000032900099 395714348 /nfs/dbraw/zinc/71/43/48/395714348.db2.gz IUIWEBMBYSXLIY-JTQLQIEISA-N 0 0 314.363 0.643 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)Nc1ccc2c(c1)CCC2 ZINC000032928377 395714659 /nfs/dbraw/zinc/71/46/59/395714659.db2.gz XGHHOPHYTZVBGX-UHFFFAOYSA-N 0 0 308.403 0.844 50 0 DCAARN C[C@@H](CC(=O)N[C@@H]1CCC(=O)N(C)C1)NC(=O)C1CCCC1 ZINC000089894528 395715819 /nfs/dbraw/zinc/71/58/19/395715819.db2.gz PBMJMJALTOEGDK-WCQYABFASA-N 0 0 309.410 0.808 50 0 DCAARN C[C@H]1CN(C)CCN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000089938126 395716908 /nfs/dbraw/zinc/71/69/08/395716908.db2.gz ATYJBQVVKALYJL-LBPRGKRZSA-N 0 0 300.366 0.503 50 0 DCAARN COCCNC(=S)NCc1ccc(S(C)(=O)=O)cc1 ZINC000036847379 395724829 /nfs/dbraw/zinc/72/48/29/395724829.db2.gz BXKBDFPWXHBWDT-UHFFFAOYSA-N 0 0 302.421 0.701 50 0 DCAARN COC[C@@H](C)NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000035598208 395720903 /nfs/dbraw/zinc/72/09/03/395720903.db2.gz JLGIZOBHSWTTLM-MFKMUULPSA-N 0 0 319.361 0.668 50 0 DCAARN O=C(NCc1ccnc(N2CCOCC2)c1)N1CCOCC1 ZINC000027344703 395694990 /nfs/dbraw/zinc/69/49/90/395694990.db2.gz PCQCHJRLMBSNSW-UHFFFAOYSA-N 0 0 306.366 0.460 50 0 DCAARN O=C1CCC(=O)N1CCSc1nnnn1Cc1ccccc1 ZINC000028015122 395695721 /nfs/dbraw/zinc/69/57/21/395695721.db2.gz VPURCIZDDUNENW-UHFFFAOYSA-N 0 0 317.374 0.963 50 0 DCAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C)C(N)=O)c1 ZINC000028851519 395696380 /nfs/dbraw/zinc/69/63/80/395696380.db2.gz SQNRGDHYCIRVDY-ZETCQYMHSA-N 0 0 307.306 0.634 50 0 DCAARN CNC(=O)NC(=O)CNc1ccc(-c2nnnn2C2CC2)cc1 ZINC000029400509 395698113 /nfs/dbraw/zinc/69/81/13/395698113.db2.gz KSNHCMCCEKEDSW-UHFFFAOYSA-N 0 0 315.337 0.543 50 0 DCAARN CC[C@H]1CN(C(=O)C2(C(=O)NC)CCC2)CCN1CCOC ZINC000084736487 395698930 /nfs/dbraw/zinc/69/89/30/395698930.db2.gz FYOGXOVVZCCTDD-ZDUSSCGKSA-N 0 0 311.426 0.472 50 0 DCAARN COC(=O)CNC(=O)[C@H](C)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000029659042 395699003 /nfs/dbraw/zinc/69/90/03/395699003.db2.gz QBDAAHTXUQKVCH-SMDDNHRTSA-N 0 0 324.352 0.877 50 0 DCAARN CN1C[C@H](C(=O)NCc2ccnc(N3CCOCC3)c2)CC1=O ZINC000029665631 395699073 /nfs/dbraw/zinc/69/90/73/395699073.db2.gz FGPHQDSGHNUGCB-CYBMUJFWSA-N 0 0 318.377 0.013 50 0 DCAARN CCCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C ZINC000038139719 395731248 /nfs/dbraw/zinc/73/12/48/395731248.db2.gz QTFHNLLSFLTQCR-UHFFFAOYSA-N 0 0 301.144 0.986 50 0 DCAARN CNS(=O)(=O)c1c2c(c(OC)c3c1CCN(C)C3)OCO2 ZINC000040309411 395733221 /nfs/dbraw/zinc/73/32/21/395733221.db2.gz PNIAGBFZBHTYAK-UHFFFAOYSA-N 0 0 314.363 0.320 50 0 biogenic DCAARN NS(=O)(=O)c1cccc(CNC(=O)NCC(F)(F)F)c1 ZINC000041199318 395736056 /nfs/dbraw/zinc/73/60/56/395736056.db2.gz GCINPTDIRIKCBA-UHFFFAOYSA-N 0 0 311.285 0.696 50 0 DCAARN CS(=O)(=O)N1CCCN(C(=O)Cc2cscn2)CC1 ZINC000096165304 395746604 /nfs/dbraw/zinc/74/66/04/395746604.db2.gz UENUAOJKDLWDQP-UHFFFAOYSA-N 0 0 303.409 0.180 50 0 DCAARN Cc1nc(CCN(C)S(C)(=O)=O)n(CC(F)(F)F)n1 ZINC000096166931 395746753 /nfs/dbraw/zinc/74/67/53/395746753.db2.gz WTLLUUFAEUOLIV-UHFFFAOYSA-N 0 0 300.306 0.583 50 0 DCAARN Cc1nc(-c2nc(C[C@@H]3COCC[NH2+]3)n(CC(=O)[O-])n2)cs1 ZINC000096179590 395746798 /nfs/dbraw/zinc/74/67/98/395746798.db2.gz BDENMHUWJZTQIY-SECBINFHSA-N 0 0 323.378 0.326 50 0 DCAARN CS(=O)(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000042777685 395748812 /nfs/dbraw/zinc/74/88/12/395748812.db2.gz ITUFUUIOPHBKHM-UHFFFAOYSA-N 0 0 311.407 0.275 50 0 DCAARN CN1C(=O)CO[C@H](C(=O)N2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000096181704 395747144 /nfs/dbraw/zinc/74/71/44/395747144.db2.gz HTBAQCSMBNAMKE-GJZGRUSLSA-N 0 0 322.336 0.583 50 0 DCAARN Cc1cc(C(=O)N2CC(S(=O)(=O)Nc3ccccc3)C2)[nH]n1 ZINC000096005395 395740859 /nfs/dbraw/zinc/74/08/59/395740859.db2.gz IBZLTSHJGSHBDO-UHFFFAOYSA-N 0 0 320.374 0.984 50 0 DCAARN C[N@@H+]1CCCN(C(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)CC1 ZINC000096133460 395745494 /nfs/dbraw/zinc/74/54/94/395745494.db2.gz QBONGWLDABYPJI-UHFFFAOYSA-N 0 0 316.361 0.521 50 0 DCAARN Cn1cccc(C(=O)Nc2nc3c(s2)C(=O)NCCC3)c1=O ZINC000096124377 395745570 /nfs/dbraw/zinc/74/55/70/395745570.db2.gz XFGQRYSVURAHPQ-UHFFFAOYSA-N 0 0 318.358 0.770 50 0 DCAARN CN(CCN1CCN(c2ccccc2)CC1)C(=O)c1cn[nH]n1 ZINC000096414612 395752842 /nfs/dbraw/zinc/75/28/42/395752842.db2.gz IJBCCZFBASQFCL-UHFFFAOYSA-N 0 0 314.393 0.699 50 0 DCAARN CSc1ccccc1C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000096475202 395754013 /nfs/dbraw/zinc/75/40/13/395754013.db2.gz LRVGSPGQVRRSCK-UHFFFAOYSA-N 0 0 315.420 0.370 50 0 DCAARN O=C(CCC(=O)N1CCCCCC1)N[C@H]1CCS(=O)(=O)C1 ZINC000096661590 395754591 /nfs/dbraw/zinc/75/45/91/395754591.db2.gz ZSAOKERUGYQJDO-LBPRGKRZSA-N 0 0 316.423 0.473 50 0 DCAARN O=C(Cn1cc(Br)cn1)N[C@H]1CCc2nccn2C1 ZINC000097197706 395755729 /nfs/dbraw/zinc/75/57/29/395755729.db2.gz BVRNUDDXOGMHRD-JTQLQIEISA-N 0 0 324.182 0.973 50 0 DCAARN O=C([O-])[C@@H]1C[NH2+]CCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000097447125 395757989 /nfs/dbraw/zinc/75/79/89/395757989.db2.gz HDYPOXQOOQBBLJ-GFCCVEGCSA-N 0 0 302.334 0.843 50 0 DCAARN O=C(NCCc1c[nH]cn1)c1cnc(N2CCOCC2)nc1 ZINC000097578436 395759044 /nfs/dbraw/zinc/75/90/44/395759044.db2.gz QNQUIAOIGODFFK-UHFFFAOYSA-N 0 0 302.338 0.009 50 0 DCAARN CC(=O)N1CCN(c2nccnc2N2CCCC2)C[C@H](O)C1 ZINC000097619475 395759055 /nfs/dbraw/zinc/75/90/55/395759055.db2.gz CIHFTGBPQSBNRR-CYBMUJFWSA-N 0 0 305.382 0.106 50 0 DCAARN Cn1cc(N2CCN(C[C@H](O)c3ccccc3)CC2=O)cn1 ZINC000098018779 395761375 /nfs/dbraw/zinc/76/13/75/395761375.db2.gz WFZWGGDIDNYUAK-HNNXBMFYSA-N 0 0 300.362 0.802 50 0 DCAARN Cn1c2[nH]c(=S)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000100565651 395763202 /nfs/dbraw/zinc/76/32/02/395763202.db2.gz RVDINNIOYCQIRX-UHFFFAOYSA-N 0 0 302.359 0.771 50 0 biogenic DCAARN CCN1c2ccccc2[C@H](NC(=O)C(=O)NCCCOC)C1=O ZINC000101496711 395764638 /nfs/dbraw/zinc/76/46/38/395764638.db2.gz APSGWQOIPBNIHB-ZDUSSCGKSA-N 0 0 319.361 0.363 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000102181191 395768993 /nfs/dbraw/zinc/76/89/93/395768993.db2.gz NLIWOQVRXCFMNT-CHWSQXEVSA-N 0 0 318.377 0.554 50 0 DCAARN COCCN1C[C@H](C(=O)NC[C@@H]2Cc3ccccc3O2)CC1=O ZINC000046277568 395774911 /nfs/dbraw/zinc/77/49/11/395774911.db2.gz DBJZYGUZOKSUPI-KGLIPLIRSA-N 0 0 318.373 0.601 50 0 DCAARN CN(CC(=O)NCc1cnn(-c2ccccc2)c1)S(C)(=O)=O ZINC000046327044 395775756 /nfs/dbraw/zinc/77/57/56/395775756.db2.gz RMSKCPVLKKVWCD-UHFFFAOYSA-N 0 0 322.390 0.380 50 0 DCAARN CCN1CCN(S(=O)(=O)N2CCc3ccccc3C2)CC1 ZINC000048253552 395811443 /nfs/dbraw/zinc/81/14/43/395811443.db2.gz KGZVCLGTOZZVKU-UHFFFAOYSA-N 0 0 309.435 0.927 50 0 DCAARN NC(=O)c1cnc(NC[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000048608090 395820413 /nfs/dbraw/zinc/82/04/13/395820413.db2.gz GRRSKBBNHGGUBD-ZETCQYMHSA-N 0 0 303.771 0.681 50 0 DCAARN COc1nccnc1O[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC000225387952 395859282 /nfs/dbraw/zinc/85/92/82/395859282.db2.gz KRABEKAOIUBAAU-SNVBAGLBSA-N 0 0 301.306 0.569 50 0 DCAARN COc1cc(OC)cc(S(=O)(=O)N(C)Cc2nc[nH]n2)c1 ZINC000225449726 395859926 /nfs/dbraw/zinc/85/99/26/395859926.db2.gz KOWFKTGPNFHSKU-UHFFFAOYSA-N 0 0 312.351 0.643 50 0 DCAARN CC(=O)N1CCc2ccc(S(=O)(=O)N3CCCO3)cc2CC1 ZINC000225449269 395860075 /nfs/dbraw/zinc/86/00/75/395860075.db2.gz PGEOBHYJWDQCRD-UHFFFAOYSA-N 0 0 324.402 0.960 50 0 DCAARN Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)nn1 ZINC000225430178 395860242 /nfs/dbraw/zinc/86/02/42/395860242.db2.gz LPWGGPBATOJLHK-NWDGAFQWSA-N 0 0 304.350 0.243 50 0 DCAARN COc1ccnc(C(=O)N2CCCN(CC(=O)N(C)C)CC2)c1 ZINC000116172595 395842257 /nfs/dbraw/zinc/84/22/57/395842257.db2.gz KPZYNXPMVZAOTB-UHFFFAOYSA-N 0 0 320.393 0.326 50 0 DCAARN CNC(=O)NC(=O)CN1CCC(NC(=O)c2ccc(C)o2)CC1 ZINC000051097861 395844518 /nfs/dbraw/zinc/84/45/18/395844518.db2.gz XCOODQYYXUNVKL-UHFFFAOYSA-N 0 0 322.365 0.238 50 0 DCAARN Cc1ccc(CCNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000219491237 395845304 /nfs/dbraw/zinc/84/53/04/395845304.db2.gz FXDXOSXRNZZOML-GFCCVEGCSA-N 0 0 314.407 0.366 50 0 DCAARN CSCC[C@H](NC(C)=O)C(=O)N(C)CCc1noc(C)n1 ZINC000219557212 395845657 /nfs/dbraw/zinc/84/56/57/395845657.db2.gz KSOLOWDMSGLDHZ-NSHDSACASA-N 0 0 314.411 0.637 50 0 DCAARN OC[C@@H](O)c1cc2n(n1)CCN(Cc1nc3ccccc3[nH]1)C2 ZINC000219736020 395846226 /nfs/dbraw/zinc/84/62/26/395846226.db2.gz MBZAUYISXMDDGY-OAHLLOKOSA-N 0 0 313.361 0.801 50 0 DCAARN Cc1nonc1CC(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1 ZINC000219719318 395846482 /nfs/dbraw/zinc/84/64/82/395846482.db2.gz WCZBCDMKIZBIIZ-IUVQJJGASA-N 0 0 305.338 0.282 50 0 DCAARN CN(Cc1ccco1)C(=O)CN1CCC(N2CCNC2=O)CC1 ZINC000052215961 395860768 /nfs/dbraw/zinc/86/07/68/395860768.db2.gz OBFFKLZOZATKKK-UHFFFAOYSA-N 0 0 320.393 0.728 50 0 DCAARN COCc1ccc(C(=O)N[C@H]2C[C@H](c3nnc(CO)n3C)C2)o1 ZINC000219922197 395847330 /nfs/dbraw/zinc/84/73/30/395847330.db2.gz OKXVEVWZAXHGLO-AOOOYVTPSA-N 0 0 320.349 0.723 50 0 DCAARN CCS(=O)(=O)NCCCNS(=O)(=O)c1cccc(F)c1 ZINC000051162503 395847598 /nfs/dbraw/zinc/84/75/98/395847598.db2.gz UGXSCKAUZPPXDX-UHFFFAOYSA-N 0 0 324.399 0.433 50 0 DCAARN O=C(Cn1cnnn1)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 ZINC000220429262 395848393 /nfs/dbraw/zinc/84/83/93/395848393.db2.gz CTGYMCAPERZBEL-OLZOCXBDSA-N 0 0 321.312 0.165 50 0 DCAARN Cc1ccc(O[C@H]2CCCN(C(=O)N3CCN(C)CC3)C2)nn1 ZINC000225465982 395860966 /nfs/dbraw/zinc/86/09/66/395860966.db2.gz AVJWJIVRNDRQPF-AWEZNQCLSA-N 0 0 319.409 0.996 50 0 DCAARN CC(C)(C)n1ccc(C(=O)N2CCN(S(N)(=O)=O)CC2)c1 ZINC000221185121 395850637 /nfs/dbraw/zinc/85/06/37/395850637.db2.gz MLLZVGLSHRAIGA-UHFFFAOYSA-N 0 0 314.411 0.204 50 0 DCAARN CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cccc(=O)[nH]1 ZINC000221431215 395851157 /nfs/dbraw/zinc/85/11/57/395851157.db2.gz ZODXIIYNRWHPDF-UHFFFAOYSA-N 0 0 310.317 0.827 50 0 DCAARN Cn1ccc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1=O ZINC000051506708 395851430 /nfs/dbraw/zinc/85/14/30/395851430.db2.gz JXESHCZZJSYKOX-CQSZACIVSA-N 0 0 305.378 0.209 50 0 DCAARN CCNC(=O)[C@@H]1CCN(C(=O)c2ccc(N(C)CCO)cc2)C1 ZINC000222479169 395852860 /nfs/dbraw/zinc/85/28/60/395852860.db2.gz SJOMRPCVIWSVCB-CQSZACIVSA-N 0 0 319.405 0.713 50 0 DCAARN O=S(=O)(CCOc1ccccc1)N[C@@H]1COCC[C@H]1O ZINC000223207919 395854060 /nfs/dbraw/zinc/85/40/60/395854060.db2.gz RDMAJPXVYISVIC-CHWSQXEVSA-N 0 0 301.364 0.135 50 0 DCAARN CC[C@@H](C(N)=O)N(C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000225520484 395861507 /nfs/dbraw/zinc/86/15/07/395861507.db2.gz XCNXFQIXDSCBEA-VIFPVBQESA-N 0 0 313.427 0.871 50 0 DCAARN CCCc1nc(CNC(=O)[C@@H](C)NS(C)(=O)=O)cs1 ZINC000223378077 395854767 /nfs/dbraw/zinc/85/47/67/395854767.db2.gz LZSSSFHIEITMQG-MRVPVSSYSA-N 0 0 305.425 0.650 50 0 DCAARN CCc1nnc(SCC(=O)NCc2nnc3n2CCC3)[nH]1 ZINC000223699624 395856382 /nfs/dbraw/zinc/85/63/82/395856382.db2.gz KYRAGIGKSSTEMI-UHFFFAOYSA-N 0 0 307.383 0.313 50 0 DCAARN O=C(N1CCN(Cc2ccccc2F)C(=O)C1)C1(CO)CC1 ZINC000223774471 395856419 /nfs/dbraw/zinc/85/64/19/395856419.db2.gz UAWJDKCTHKLPLF-UHFFFAOYSA-N 0 0 306.337 0.769 50 0 DCAARN Cc1nonc1C(=O)N[C@@H]1COCC[C@@H]1OCc1cscn1 ZINC000223884613 395857077 /nfs/dbraw/zinc/85/70/77/395857077.db2.gz XHHNRFCFVWCNLM-MNOVXSKESA-N 0 0 324.362 0.939 50 0 DCAARN Cc1cc(C)n2nc(CC(=O)N[C@H](C)c3ncnn3C)nc2n1 ZINC000223869046 395857223 /nfs/dbraw/zinc/85/72/23/395857223.db2.gz PYDNJAILGJSPDS-SNVBAGLBSA-N 0 0 314.353 0.290 50 0 DCAARN C[C@@H]1CN(C(=O)Cc2ccc(-n3cnnn3)cc2)[C@H](C)CO1 ZINC000047447346 395793252 /nfs/dbraw/zinc/79/32/52/395793252.db2.gz CIGCNGKSPUBYSA-VXGBXAGGSA-N 0 0 301.350 0.841 50 0 DCAARN C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CCO1 ZINC000054214904 395895433 /nfs/dbraw/zinc/89/54/33/395895433.db2.gz NKYNVLSVKAIGEG-JSGCOSHPSA-N 0 0 301.350 0.704 50 0 DCAARN OCCOc1cncc(N2CCCN(c3cccnn3)CC2)n1 ZINC000133495607 395929746 /nfs/dbraw/zinc/92/97/46/395929746.db2.gz RXSHFWWVKVXYNQ-UHFFFAOYSA-N 0 0 316.365 0.354 50 0 DCAARN Cc1noc([C@H]2CCCN(CC(=O)N3CCO[C@H](C)C3)C2)n1 ZINC000054676416 395903999 /nfs/dbraw/zinc/90/39/99/395903999.db2.gz DRDBOMQNAOBIOU-YPMHNXCESA-N 0 0 308.382 0.805 50 0 DCAARN C[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCOCC1 ZINC000054652720 395904076 /nfs/dbraw/zinc/90/40/76/395904076.db2.gz HNZWHDCYYQGJJX-GFCCVEGCSA-N 0 0 312.391 0.353 50 0 DCAARN Cn1ncc2c1ncnc2N1CCC(C(=O)NC2CC2)CC1 ZINC000054837564 395906420 /nfs/dbraw/zinc/90/64/20/395906420.db2.gz YAAXHFPUSGRUIE-UHFFFAOYSA-N 0 0 300.366 0.858 50 0 DCAARN CNS(=O)(=O)CCNC(=O)[C@@H](C)Oc1cc(C)ccc1C ZINC000055403097 395918857 /nfs/dbraw/zinc/91/88/57/395918857.db2.gz AVZQXNRZCCKWDL-GFCCVEGCSA-N 0 0 314.407 0.736 50 0 DCAARN Cc1csc(N2CCCN(C(=O)[C@@H]3COCCO3)CC2)n1 ZINC000055760333 395921585 /nfs/dbraw/zinc/92/15/85/395921585.db2.gz XSLKLBVSONTMMZ-LBPRGKRZSA-N 0 0 311.407 0.906 50 0 DCAARN C[C@H](C(=O)Nc1ccccn1)N1CCN(c2nc[nH]n2)CC1 ZINC000244811782 395925188 /nfs/dbraw/zinc/92/51/88/395925188.db2.gz SLCLNAZYUFFIRL-LLVKDONJSA-N 0 0 301.354 0.349 50 0 DCAARN COCc1cc(CNc2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)[nH]n1 ZINC000244874345 395925782 /nfs/dbraw/zinc/92/57/82/395925782.db2.gz WZRPHSSOQIJXJK-DKTWLAJQSA-N 0 0 304.354 0.779 50 0 DCAARN Cc1nnc(CNC(=O)c2cccnc2O[C@@H]2CCOC2)o1 ZINC000244933342 395926740 /nfs/dbraw/zinc/92/67/40/395926740.db2.gz CMQNYUAHFYYBMO-SNVBAGLBSA-N 0 0 304.306 0.871 50 0 DCAARN COc1cc(C(=O)NCc2nnc3c(OC)nccn23)ccn1 ZINC000244969091 395926999 /nfs/dbraw/zinc/92/69/99/395926999.db2.gz GXSQEFWUIAMCRW-UHFFFAOYSA-N 0 0 314.305 0.467 50 0 DCAARN COc1cncc(O[C@@H]2CCCN(C(=O)N3CCNC3=O)C2)n1 ZINC000225501335 395861810 /nfs/dbraw/zinc/86/18/10/395861810.db2.gz FNIZCOWGSFURIB-SNVBAGLBSA-N 0 0 321.337 0.474 50 0 DCAARN Cc1nc(N(C)C)nc(N2CCC(c3n[nH]c(=O)o3)CC2)n1 ZINC000225813389 395863885 /nfs/dbraw/zinc/86/38/85/395863885.db2.gz DLUFSQOSMZBEJI-UHFFFAOYSA-N 0 0 305.342 0.306 50 0 DCAARN COC(=O)COc1ccc(C(=O)Nc2nc[nH]n2)cc1OC ZINC000052555668 395865707 /nfs/dbraw/zinc/86/57/07/395865707.db2.gz AKLFRODPIMNQRQ-UHFFFAOYSA-N 0 0 306.278 0.617 50 0 DCAARN CC(C)NS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(F)c1 ZINC000226686820 395867305 /nfs/dbraw/zinc/86/73/05/395867305.db2.gz VEGZNUQSZARZKO-UHFFFAOYSA-N 0 0 318.370 0.979 50 0 DCAARN COCCNS(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 ZINC000226687122 395867373 /nfs/dbraw/zinc/86/73/73/395867373.db2.gz XJZUQHCLRQUKRG-UHFFFAOYSA-N 0 0 316.379 0.078 50 0 DCAARN O=C1OCC[C@@H]1N1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 ZINC000229538929 395874451 /nfs/dbraw/zinc/87/44/51/395874451.db2.gz OVBGOUGUAPKXHG-OCCSQVGLSA-N 0 0 324.402 0.745 50 0 DCAARN C[C@H](C(=O)NCc1ccco1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000229534229 395874753 /nfs/dbraw/zinc/87/47/53/395874753.db2.gz NYJDFEYAWNMADR-TZMCWYRMSA-N 0 0 319.365 0.277 50 0 DCAARN C[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@@H](c2ccccc2)O1 ZINC000229668512 395875951 /nfs/dbraw/zinc/87/59/51/395875951.db2.gz FXBVAKBWISAFTR-HIFRSBDPSA-N 0 0 317.389 0.407 50 0 DCAARN CC[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@@H]1N1CCOCC1 ZINC000229828167 395876626 /nfs/dbraw/zinc/87/66/26/395876626.db2.gz KCFNHNLSFLDWAK-ILXRZTDVSA-N 0 0 323.437 0.424 50 0 DCAARN O=C(CN1CCN(C(=O)c2cncnc2)CC1)N1CCCCC1 ZINC000273599188 395933000 /nfs/dbraw/zinc/93/30/00/395933000.db2.gz FGXRVRGMESLXLR-UHFFFAOYSA-N 0 0 317.393 0.247 50 0 DCAARN C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000134975437 395936242 /nfs/dbraw/zinc/93/62/42/395936242.db2.gz ZSWUCTOHXFRJKQ-NXEZZACHSA-N 0 0 318.420 0.753 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)N1CCN(c2cccc(OC)c2)CC1 ZINC000057958571 395950364 /nfs/dbraw/zinc/95/03/64/395950364.db2.gz HSSNNHAUFCUCJV-LBPRGKRZSA-N 0 0 320.393 0.661 50 0 DCAARN O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000143191960 395960638 /nfs/dbraw/zinc/96/06/38/395960638.db2.gz IGSIURJIDSJCEU-LLVKDONJSA-N 0 0 311.359 0.509 50 0 DCAARN CCc1ncc2c(n1)CN(C[C@@H](O)COC[C@H]1CCCO1)CC2 ZINC000247604761 395976659 /nfs/dbraw/zinc/97/66/59/395976659.db2.gz LLQWGUATSBXYLA-HUUCEWRRSA-N 0 0 321.421 0.954 50 0 DCAARN COc1ccc2nc(C(=O)NCCCN3CCCC3=O)cn2n1 ZINC000065228447 395991473 /nfs/dbraw/zinc/99/14/73/395991473.db2.gz DYTHUDSVKUGALF-UHFFFAOYSA-N 0 0 317.349 0.480 50 0 DCAARN CCC(=O)Nc1ccc(C)n(CC(=O)NC[C@@H]2CCCO2)c1=O ZINC000065212164 395991510 /nfs/dbraw/zinc/99/15/10/395991510.db2.gz LGNZHGGOGGYMFA-LBPRGKRZSA-N 0 0 321.377 0.800 50 0 DCAARN COc1ccnc(N2CCN(Cc3nnnn3C3CC3)CC2)n1 ZINC000065487614 395993899 /nfs/dbraw/zinc/99/38/99/395993899.db2.gz ZJHIONUCJQVRQY-UHFFFAOYSA-N 0 0 316.369 0.129 50 0 DCAARN CCOc1ncnc2c1CN(CC(=O)Nc1nncs1)CC2 ZINC000065474244 395994104 /nfs/dbraw/zinc/99/41/04/395994104.db2.gz CUZZKQOEEHHQSS-UHFFFAOYSA-N 0 0 320.378 0.724 50 0 DCAARN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)[C@@H]1CCNC(=O)C1 ZINC000153257663 396023303 /nfs/dbraw/zinc/02/33/03/396023303.db2.gz RQMVPPXLTLDCLN-ZIAGYGMSSA-N 0 0 321.421 0.810 50 0 DCAARN CS(=O)(=O)N1C[C@H]2CCN(C(=O)c3ccncc3F)C[C@H]21 ZINC000253407406 396026904 /nfs/dbraw/zinc/02/69/04/396026904.db2.gz JVXIBJJIDODNCC-BXKDBHETSA-N 0 0 313.354 0.327 50 0 DCAARN COC[C@@H]1CN(C(=O)c2nn(C)c3ccccc32)C[C@H]1C(N)=O ZINC000253398807 396026933 /nfs/dbraw/zinc/02/69/33/396026933.db2.gz CHVWWNUCMZBBJR-CMPLNLGQSA-N 0 0 316.361 0.393 50 0 DCAARN Cc1cc(C(=O)N2C[C@@H](c3ccncc3)[C@H](CO)C2)n(C)n1 ZINC000253396844 396027166 /nfs/dbraw/zinc/02/71/66/396027166.db2.gz BHALAAUKJGVDDH-KBPBESRZSA-N 0 0 300.362 0.972 50 0 DCAARN COc1ccc(CNC(=O)[C@@H](O)c2cncn2C)c(OC)c1 ZINC000253405119 396027277 /nfs/dbraw/zinc/02/72/77/396027277.db2.gz HSQXTZRLYUCENN-AWEZNQCLSA-N 0 0 305.334 0.787 50 0 DCAARN CCn1ncnc1CN1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000253432338 396028509 /nfs/dbraw/zinc/02/85/09/396028509.db2.gz JTCPSDLWKKPOCP-LLVKDONJSA-N 0 0 319.369 0.513 50 0 DCAARN CC(C)(C)OC(=O)CC[S@@](=O)C[C@H]1CCS(=O)(=O)C1 ZINC000253431053 396028916 /nfs/dbraw/zinc/02/89/16/396028916.db2.gz NRSZWGCBHRSJAI-MLCYQJTMSA-N 0 0 310.437 0.902 50 0 DCAARN O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000253534921 396029276 /nfs/dbraw/zinc/02/92/76/396029276.db2.gz WKSXYYOZFGAFGX-RVBZMBCESA-N 0 0 316.317 0.525 50 0 DCAARN Cn1ccsc1=NC(=O)CN1CCN(c2ccccn2)CC1 ZINC000253497189 396029510 /nfs/dbraw/zinc/02/95/10/396029510.db2.gz LMMKKLQSTCVPLU-UHFFFAOYSA-N 0 0 317.418 0.731 50 0 DCAARN O=C(NCc1nc(-c2cc[nH]c(=O)c2)no1)NC[C@H]1CCCO1 ZINC000253537720 396030670 /nfs/dbraw/zinc/03/06/70/396030670.db2.gz QFQYEDPXAGGIOS-SNVBAGLBSA-N 0 0 319.321 0.815 50 0 DCAARN COc1cc(C=c2sc3ncnn3c2=O)ccc1OC(C)=O ZINC000254292088 396031356 /nfs/dbraw/zinc/03/13/56/396031356.db2.gz HTYUBHAYUSEDMF-UHFFFAOYSA-N 0 0 317.326 0.633 50 0 DCAARN CCN1CCN(Cc2cc(C(=O)N[C@H](CO)C(C)C)no2)CC1 ZINC000067772886 396033038 /nfs/dbraw/zinc/03/30/38/396033038.db2.gz OTZIZRLNDSMKBV-OAHLLOKOSA-N 0 0 324.425 0.559 50 0 DCAARN O=C(N[C@@H]1CN(c2ccncn2)C[C@H]1CO)c1ccc(F)cc1 ZINC000257177625 396034292 /nfs/dbraw/zinc/03/42/92/396034292.db2.gz XJGUJZWYIDAFLC-GXTWGEPZSA-N 0 0 316.336 0.843 50 0 DCAARN Cc1ccn2cc(CNC(=O)[C@H](C)NS(C)(=O)=O)nc2c1 ZINC000067844525 396036214 /nfs/dbraw/zinc/03/62/14/396036214.db2.gz QZMRNKWLWAUCFQ-JTQLQIEISA-N 0 0 310.379 0.197 50 0 DCAARN O=C(c1onc2ccccc21)N1CCC2(CC1)NCCNC2=O ZINC000067879978 396037818 /nfs/dbraw/zinc/03/78/18/396037818.db2.gz XHSIBAYKDSQFRY-UHFFFAOYSA-N 0 0 314.345 0.522 50 0 DCAARN Cc1nn(C)c2nc(C)cc(C(=O)N3CCC(O)(CO)CC3)c12 ZINC000067921099 396038492 /nfs/dbraw/zinc/03/84/92/396038492.db2.gz WLSINLTWWBUYGN-UHFFFAOYSA-N 0 0 318.377 0.545 50 0 DCAARN CCCn1nc(C(=O)[O-])c2c1CC[C@H]([NH2+]CCNC(C)=O)C2 ZINC000067919661 396038703 /nfs/dbraw/zinc/03/87/03/396038703.db2.gz XDKXBJPKMYTIRR-NSHDSACASA-N 0 0 308.382 0.574 50 0 DCAARN CNC(=O)[C@@H]1CCCN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000249751996 396011805 /nfs/dbraw/zinc/01/18/05/396011805.db2.gz REYIPPRUPPNHGW-RDBSUJKOSA-N 0 0 309.410 0.367 50 0 DCAARN Cn1nnnc1SCCNC(=O)COC[C@H]1CCCCO1 ZINC000252490786 396020786 /nfs/dbraw/zinc/02/07/86/396020786.db2.gz LAZPFSISQULTFS-SNVBAGLBSA-N 0 0 315.399 0.004 50 0 DCAARN COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H]1CCC[NH2+]C1 ZINC000252507495 396021612 /nfs/dbraw/zinc/02/16/12/396021612.db2.gz WNBNAAQMIMWFKT-MRVPVSSYSA-N 0 0 319.408 0.208 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000069664895 396086063 /nfs/dbraw/zinc/08/60/63/396086063.db2.gz SMNAROHSJSFFCY-GFCCVEGCSA-N 0 0 302.378 0.630 50 0 DCAARN CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)N(C)C(C)C ZINC000069705845 396087943 /nfs/dbraw/zinc/08/79/43/396087943.db2.gz FJWVZNHQUKYVOS-LLVKDONJSA-N 0 0 323.484 0.813 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000069742766 396089287 /nfs/dbraw/zinc/08/92/87/396089287.db2.gz SKFRMLXYYQTXGR-GOEBONIOSA-N 0 0 305.422 0.814 50 0 DCAARN CCn1ccnc1CN1CCCN(C(=O)c2cnn(C)c2)CC1 ZINC000069743475 396089314 /nfs/dbraw/zinc/08/93/14/396089314.db2.gz CTFVMZVUZLYKQF-UHFFFAOYSA-N 0 0 316.409 0.985 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000069742767 396089645 /nfs/dbraw/zinc/08/96/45/396089645.db2.gz SKFRMLXYYQTXGR-GDBMZVCRSA-N 0 0 305.422 0.814 50 0 DCAARN CN(C)c1nccnc1O[C@@H]1CCN(C(=O)c2ccnn2C)C1 ZINC000169750286 396091166 /nfs/dbraw/zinc/09/11/66/396091166.db2.gz XHPDJKXBFUDYFA-LLVKDONJSA-N 0 0 316.365 0.570 50 0 DCAARN Cn1nc(C(=O)N2CCc3n[nH]c(=O)n3CC2)c2ccccc21 ZINC000169783063 396092030 /nfs/dbraw/zinc/09/20/30/396092030.db2.gz NIDDQNYUDSZHOH-UHFFFAOYSA-N 0 0 312.333 0.157 50 0 DCAARN COC(=O)[C@@](C)(COc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC000069844200 396092296 /nfs/dbraw/zinc/09/22/96/396092296.db2.gz NTJIKERYFQYLMJ-BLLLJJGKSA-N 0 0 320.345 0.392 50 0 DCAARN CCN1C(=O)CN(C(=O)c2cccnc2)CC12CCOCC2 ZINC000169787307 396092609 /nfs/dbraw/zinc/09/26/09/396092609.db2.gz DLYAHNHWLLHKBH-UHFFFAOYSA-N 0 0 303.362 0.935 50 0 DCAARN O=C(NCCN1C(=O)CNC1=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000170626504 396096279 /nfs/dbraw/zinc/09/62/79/396096279.db2.gz MLTWLLVHEVKUNN-MPEURRAXSA-N 0 0 320.393 0.758 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)CCNc2ncccn2)CC1 ZINC000069969656 396096328 /nfs/dbraw/zinc/09/63/28/396096328.db2.gz YWHJKDNRFXKETC-CYBMUJFWSA-N 0 0 307.398 0.194 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)c2cccc3c2OCO3)CC1 ZINC000069951669 396096512 /nfs/dbraw/zinc/09/65/12/396096512.db2.gz HBIOGBJNBHJUSG-GFCCVEGCSA-N 0 0 306.362 0.944 50 0 DCAARN Cc1cc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)n(C)n1 ZINC000069951361 396096654 /nfs/dbraw/zinc/09/66/54/396096654.db2.gz GPXOHRVTSHGYNQ-UHFFFAOYSA-N 0 0 316.409 0.810 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)C(C)(C)n2cc(Cl)cn2)CC1 ZINC000070040194 396099178 /nfs/dbraw/zinc/09/91/78/396099178.db2.gz CQDCFVAKNDXXJV-LLVKDONJSA-N 0 0 314.817 0.797 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1 ZINC000070076741 396099542 /nfs/dbraw/zinc/09/95/42/396099542.db2.gz RBLGUFOCTZKCGE-PHIMTYICSA-N 0 0 311.407 0.417 50 0 DCAARN NC(=O)c1ccc(C(=O)Nc2nc3c(s2)COCC3)nc1 ZINC000171111420 396106858 /nfs/dbraw/zinc/10/68/58/396106858.db2.gz RZKLEMCMWNHDCJ-UHFFFAOYSA-N 0 0 304.331 0.962 50 0 DCAARN Cc1cc(S(=O)(=O)NCCCO)cc2c1NC(=O)C2(C)C ZINC000071196001 396110753 /nfs/dbraw/zinc/11/07/53/396110753.db2.gz VCOKMIDNXXYDLZ-UHFFFAOYSA-N 0 0 312.391 0.885 50 0 DCAARN COc1ccc(-n2ccnc2S(=O)(=O)C[C@H](O)CO)cc1 ZINC000278212116 396112528 /nfs/dbraw/zinc/11/25/28/396112528.db2.gz PEBJUKBGPOJFHQ-LLVKDONJSA-N 0 0 312.347 0.008 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000071821300 396116037 /nfs/dbraw/zinc/11/60/37/396116037.db2.gz RCARWTYPOHKXJO-OLZOCXBDSA-N 0 0 319.336 0.957 50 0 DCAARN C[C@@H]1CN(C[C@H](O)Cn2ncc3ccccc3c2=O)C[C@@H](C)O1 ZINC000071825072 396116691 /nfs/dbraw/zinc/11/66/91/396116691.db2.gz MBNRMGZISLNHAU-NFAWXSAZSA-N 0 0 317.389 0.867 50 0 DCAARN CCO[C@@H](C(=O)NC1CCN(CC(N)=O)CC1)c1ccccc1 ZINC000071827302 396117299 /nfs/dbraw/zinc/11/72/99/396117299.db2.gz GRQJDTHCRPSCQX-MRXNPFEDSA-N 0 0 319.405 0.830 50 0 DCAARN CCCCn1nnnc1CN1CCC[C@H](N2CCNC2=O)C1 ZINC000071830570 396118094 /nfs/dbraw/zinc/11/80/94/396118094.db2.gz UAHIQWHFCCVESY-LBPRGKRZSA-N 0 0 307.402 0.463 50 0 DCAARN CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)CCO1 ZINC000071843091 396118465 /nfs/dbraw/zinc/11/84/65/396118465.db2.gz NZJAQERJINNSCE-UHFFFAOYSA-N 0 0 301.350 0.842 50 0 DCAARN O=C([C@@H]1CCOC1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000071863744 396119455 /nfs/dbraw/zinc/11/94/55/396119455.db2.gz PFMXSWIWTNDTAB-CVEARBPZSA-N 0 0 304.390 0.901 50 0 DCAARN CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1nnnn1C1CC1 ZINC000071880452 396123058 /nfs/dbraw/zinc/12/30/58/396123058.db2.gz KADXUSLSNZCQPB-KBPBESRZSA-N 0 0 304.398 0.983 50 0 DCAARN CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccnc2ccnn21 ZINC000071888860 396123759 /nfs/dbraw/zinc/12/37/59/396123759.db2.gz CZNZONJYHIKYNM-SNVBAGLBSA-N 0 0 323.378 0.482 50 0 DCAARN CC(=O)NCC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000071898131 396124238 /nfs/dbraw/zinc/12/42/38/396124238.db2.gz FQCRFLJDTXLXHH-GFCCVEGCSA-N 0 0 305.382 0.804 50 0 DCAARN NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](n3cncn3)C2)C1 ZINC000072234743 396127053 /nfs/dbraw/zinc/12/70/53/396127053.db2.gz FWMJLUYYWBHAQY-VXGBXAGGSA-N 0 0 306.370 0.232 50 0 DCAARN Cc1cc(C)c(CNC(=O)CCNc2ncccn2)c(=O)[nH]1 ZINC000072281273 396129885 /nfs/dbraw/zinc/12/98/85/396129885.db2.gz PJNWNKAXWVFUKH-UHFFFAOYSA-N 0 0 301.350 0.900 50 0 DCAARN Cc1cc([C@@H](C)C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c(C)o1 ZINC000072290657 396130075 /nfs/dbraw/zinc/13/00/75/396130075.db2.gz XURNYGBPGDFNLU-PSLIRLAXSA-N 0 0 305.334 0.810 50 0 DCAARN COC(=O)[C@@H](c1cc(F)ccc1F)N(C)S(=O)(=O)N(C)C ZINC000069373590 396076808 /nfs/dbraw/zinc/07/68/08/396076808.db2.gz CZOUFCQEYOMHGR-LLVKDONJSA-N 0 0 322.333 0.917 50 0 DCAARN Cn1ccnc1CN1CCN(CC(=O)NCc2ccco2)CC1 ZINC000069453998 396078841 /nfs/dbraw/zinc/07/88/41/396078841.db2.gz SNTKWKCJRWWSRB-UHFFFAOYSA-N 0 0 317.393 0.447 50 0 DCAARN C[C@@H](c1nc(C2CC2)no1)N1CCN(CCn2cncn2)CC1 ZINC000069438053 396078875 /nfs/dbraw/zinc/07/88/75/396078875.db2.gz PXHYWYYTHWFKOZ-LBPRGKRZSA-N 0 0 317.397 0.917 50 0 DCAARN CCn1cc(CN2CCCN(C(=O)[C@H]3CCOC3)CC2)cn1 ZINC000069459876 396079777 /nfs/dbraw/zinc/07/97/77/396079777.db2.gz PGSNCXPCZRJHPQ-HNNXBMFYSA-N 0 0 306.410 0.974 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000069521438 396082062 /nfs/dbraw/zinc/08/20/62/396082062.db2.gz AVHMNIGNVUPBDU-UHFFFAOYSA-N 0 0 313.379 0.706 50 0 DCAARN CC(=O)N1CCN(CCNC(=O)c2cccnc2N(C)C)CC1 ZINC000069530344 396082160 /nfs/dbraw/zinc/08/21/60/396082160.db2.gz TVLMBVDJDQOLSK-UHFFFAOYSA-N 0 0 319.409 0.042 50 0 DCAARN COc1ccccc1OCC(=O)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000069536784 396082832 /nfs/dbraw/zinc/08/28/32/396082832.db2.gz RRYJUSQMFROKFH-NSHDSACASA-N 0 0 318.329 0.480 50 0 DCAARN C[C@H](C(=O)NC(N)=O)N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000069615899 396084655 /nfs/dbraw/zinc/08/46/55/396084655.db2.gz GYHSTQQDJORDOO-GFCCVEGCSA-N 0 0 324.425 0.684 50 0 DCAARN C[C@H](C(=O)N1CCCN(Cc2cnn(C)c2)CC1)n1ccnc1 ZINC000069621799 396084711 /nfs/dbraw/zinc/08/47/11/396084711.db2.gz DOFDCYINMVCMSG-CQSZACIVSA-N 0 0 316.409 0.912 50 0 DCAARN COc1ncccc1CN1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000176454494 396155965 /nfs/dbraw/zinc/15/59/65/396155965.db2.gz SFHNYWLFDZINMC-CYBMUJFWSA-N 0 0 318.421 0.875 50 0 DCAARN O=C(Nc1nnc(C2CC2)s1)N1CCN2C(=O)NC[C@H]2C1 ZINC000075106499 396175619 /nfs/dbraw/zinc/17/56/19/396175619.db2.gz NQHDMUZPFGHADW-QMMMGPOBSA-N 0 0 308.367 0.657 50 0 DCAARN CCCS(=O)(=O)[C@@H](C)C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000075122609 396176797 /nfs/dbraw/zinc/17/67/97/396176797.db2.gz GGNQCIMGMUZKGV-NSHDSACASA-N 0 0 314.407 0.821 50 0 DCAARN CC(C)[C@@H](NC(N)=O)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000075131349 396176860 /nfs/dbraw/zinc/17/68/60/396176860.db2.gz WQZFCOAEZHNCDO-CYBMUJFWSA-N 0 0 320.397 0.572 50 0 DCAARN CCOC(=O)Cn1nnnc1C1(N2CCOCC2)CCCCC1 ZINC000075284282 396178771 /nfs/dbraw/zinc/17/87/71/396178771.db2.gz IRHBFBRNFLCSRN-UHFFFAOYSA-N 0 0 323.397 0.728 50 0 DCAARN CCc1nsc(N2CCCN(CC(=O)NC3CC3)CC2)n1 ZINC000076185000 396197652 /nfs/dbraw/zinc/19/76/52/396197652.db2.gz ZVEXHZYOKKEGTG-UHFFFAOYSA-N 0 0 309.439 0.891 50 0 DCAARN CCOC(=O)NCCNC(=O)N1CCN(c2ccccn2)CC1 ZINC000078602590 396248958 /nfs/dbraw/zinc/24/89/58/396248958.db2.gz GRLKRJHUADULLI-UHFFFAOYSA-N 0 0 321.381 0.659 50 0 DCAARN Cc1cccc2c1ncn(CCC(=O)N(C)CCCO)c2=O ZINC000281977487 396252617 /nfs/dbraw/zinc/25/26/17/396252617.db2.gz PNUZKPRNSDGXMY-UHFFFAOYSA-N 0 0 303.362 0.936 50 0 DCAARN COc1ccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000078789497 396254201 /nfs/dbraw/zinc/25/42/01/396254201.db2.gz DKKCRAVFAZQSIE-ZIAGYGMSSA-N 0 0 305.378 0.761 50 0 DCAARN CCc1cnc(CN(C(C)=O)[C@@H]2CCN([C@@H]3CCOC3=O)C2)o1 ZINC000078892299 396255959 /nfs/dbraw/zinc/25/59/59/396255959.db2.gz CXWGGNKRUDIKNM-TZMCWYRMSA-N 0 0 321.377 0.975 50 0 DCAARN CC(C)c1noc([C@@H]2CCCN2C(=O)CN2CC(=O)NC2=O)n1 ZINC000077353941 396219286 /nfs/dbraw/zinc/21/92/86/396219286.db2.gz SPGBMITZUXKIPM-VIFPVBQESA-N 0 0 321.337 0.408 50 0 DCAARN Cn1cnnc1Sc1ccc(CN2CCOC[C@@H](O)C2)o1 ZINC000077452854 396222755 /nfs/dbraw/zinc/22/27/55/396222755.db2.gz MCKQZKQNDGQEHK-JTQLQIEISA-N 0 0 310.379 0.752 50 0 DCAARN Cc1c(C(=O)N2CCOC[C@@H](O)C2)sc2ncn(C)c(=O)c12 ZINC000077453989 396223395 /nfs/dbraw/zinc/22/33/95/396223395.db2.gz MWGNWSPFTYZMOP-VIFPVBQESA-N 0 0 323.374 0.137 50 0 DCAARN CC(C)N1C[C@@H](C(=O)N2CCC(n3cnnc3)CC2)CC1=O ZINC000077520743 396225068 /nfs/dbraw/zinc/22/50/68/396225068.db2.gz IBSIODBWKLKXBQ-LBPRGKRZSA-N 0 0 305.382 0.699 50 0 DCAARN NC(=O)NCC(=O)N1CCC([C@H](O)CCc2ccccc2)CC1 ZINC000077565289 396226394 /nfs/dbraw/zinc/22/63/94/396226394.db2.gz QRJABHUQPCUPGH-OAHLLOKOSA-N 0 0 319.405 0.887 50 0 DCAARN CCN(C(=O)c1ccc(OC)c(OCCO)c1)[C@H]1CCNC1=O ZINC000285940900 396364257 /nfs/dbraw/zinc/36/42/57/396364257.db2.gz MCMNJHWPVGXTTD-LBPRGKRZSA-N 0 0 322.361 0.417 50 0 DCAARN O=C(c1ccc2c(c1)CCC2)N1C[C@H](O)[C@@H](N2CCOCC2)C1 ZINC000584889522 396633179 /nfs/dbraw/zinc/63/31/79/396633179.db2.gz CODGFOQCPBJKPC-IRXDYDNUSA-N 0 0 316.401 0.693 50 0 DCAARN Cc1nc[nH]c1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000584891517 396634156 /nfs/dbraw/zinc/63/41/56/396634156.db2.gz WQTUPJLYPMCLIQ-UHFFFAOYSA-N 0 0 305.382 0.098 50 0 DCAARN CCc1ncc(C(=O)NC[C@H]2CC(=O)N(CCOC)C2)cn1 ZINC000584895121 396634583 /nfs/dbraw/zinc/63/45/83/396634583.db2.gz RWBUWHQBOZPGIN-LLVKDONJSA-N 0 0 306.366 0.264 50 0 DCAARN O=C(C1CC1)N1CCC(Nc2cc(NCCO)ncn2)CC1 ZINC000584894983 396634922 /nfs/dbraw/zinc/63/49/22/396634922.db2.gz GVVGMKWNPJJKII-UHFFFAOYSA-N 0 0 305.382 0.694 50 0 DCAARN CSCc1nc(CCNC(=O)CN2CCOCC2)cs1 ZINC000584896288 396635024 /nfs/dbraw/zinc/63/50/24/396635024.db2.gz ITCYLTFLTPIBLU-UHFFFAOYSA-N 0 0 315.464 0.997 50 0 DCAARN Cc1sc2ncn(Cc3noc(C(N)=O)n3)c(=O)c2c1C ZINC000584896984 396635885 /nfs/dbraw/zinc/63/58/85/396635885.db2.gz XNXLFGCYLFUEDZ-UHFFFAOYSA-N 0 0 305.319 0.605 50 0 DCAARN Cn1cccc(C(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)c1=O ZINC000584902577 396637086 /nfs/dbraw/zinc/63/70/86/396637086.db2.gz ZEXGSWRUGSRQMW-LBPRGKRZSA-N 0 0 317.389 0.906 50 0 DCAARN CC(C)c1ccc(C(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 ZINC000585140936 396641568 /nfs/dbraw/zinc/64/15/68/396641568.db2.gz NEIBBNGGXVIAFV-STQMWFEESA-N 0 0 303.362 0.469 50 0 DCAARN COCc1cn([C@@H]2CCN(C(=O)Cc3cccnc3)C2)nn1 ZINC000585149634 396642244 /nfs/dbraw/zinc/64/22/44/396642244.db2.gz FFZPGSANEZEWGN-CQSZACIVSA-N 0 0 301.350 0.836 50 0 DCAARN CC(=O)NCC(=O)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390830867 397303213 /nfs/dbraw/zinc/30/32/13/397303213.db2.gz NYZBUOYUKLCZAM-AWEZNQCLSA-N 0 0 324.402 0.511 50 0 DCAARN Cc1cc(C(=O)N[C@H]2CCc3nc(N(C)C)ncc3C2)n(C)n1 ZINC000606440896 397681202 /nfs/dbraw/zinc/68/12/02/397681202.db2.gz ZBXHXWOLBFBVSX-LBPRGKRZSA-N 0 0 314.393 0.872 50 0 DCAARN Cc1ccc(O[C@@H]2CCCN(C(=O)N3CCNC3=O)C2)nn1 ZINC000225466183 292168800 /nfs/dbraw/zinc/16/88/00/292168800.db2.gz XRFFSRJYZOTXFH-LLVKDONJSA-N 0 0 305.338 0.773 50 0 DCAARN COc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)C(=O)N3C)c(OC)n1 ZINC000072447693 286284338 /nfs/dbraw/zinc/28/43/38/286284338.db2.gz QIMGSICHGNQNSI-WDEREUQCSA-N 0 0 319.361 0.792 50 0 DCAARN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3N(C)C2=O)cc1 ZINC000244659496 286324573 /nfs/dbraw/zinc/32/45/73/286324573.db2.gz HDQPYEDQLSQDIF-RFGFWPKPSA-N 0 0 312.325 0.827 50 0 DCAARN COc1ccc([C@H]2NC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000020730738 286379701 /nfs/dbraw/zinc/37/97/01/286379701.db2.gz ZOIKEVUZBFYEPW-LLVKDONJSA-N 0 0 316.317 0.317 50 0 DCAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CSCN1 ZINC000133947543 158323090 /nfs/dbraw/zinc/32/30/90/158323090.db2.gz VSWMBSIKHXFDCH-LBPRGKRZSA-N 0 0 318.402 0.934 50 0 DCAARN COc1ncc(CN2C(=O)NC3(CCC(=O)CC3)C2=O)c(C)n1 ZINC000329354228 159084573 /nfs/dbraw/zinc/08/45/73/159084573.db2.gz GGWBESJQWSENTJ-UHFFFAOYSA-N 0 0 318.333 0.932 50 0 DCAARN Cn1nnc(CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)n1 ZINC000329854578 159123912 /nfs/dbraw/zinc/12/39/12/159123912.db2.gz STPIFWSLPXYOTB-CYBMUJFWSA-N 0 0 308.342 0.183 50 0 DCAARN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)C(=O)OC)cc1 ZINC000181042761 287056299 /nfs/dbraw/zinc/05/62/99/287056299.db2.gz PSBJUSMRMAQOQD-NXEZZACHSA-N 0 0 300.380 0.807 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000069899360 287093168 /nfs/dbraw/zinc/09/31/68/287093168.db2.gz AWKBUITWWKKJDP-KGLIPLIRSA-N 0 0 323.437 0.303 50 0 DCAARN CN(C)c1cccc(NC(=O)N[C@H]2CCc3ncnn3C2)n1 ZINC000133568522 196331414 /nfs/dbraw/zinc/33/14/14/196331414.db2.gz LUTYSMZURJFELA-JTQLQIEISA-N 0 0 301.354 0.876 50 0 DCAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2NCCNC2=O)cc1 ZINC000000081670 415125095 /nfs/dbraw/zinc/12/50/95/415125095.db2.gz DYCSYFGMOVSWAT-GFCCVEGCSA-N 0 0 305.334 0.280 50 0 DCAARN CCN1C(=O)C[C@@H](N2CCN(c3cccc(OC)c3)CC2)C1=O ZINC000004450934 415128715 /nfs/dbraw/zinc/12/87/15/415128715.db2.gz YKACTZMSSLXTAJ-OAHLLOKOSA-N 0 0 317.389 0.965 50 0 DCAARN CN(C)C(=O)COCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000004702618 415130150 /nfs/dbraw/zinc/13/01/50/415130150.db2.gz KHTHMDNNXMJSSD-UHFFFAOYSA-N 0 0 323.368 0.579 50 0 DCAARN CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=O)CC1 ZINC000004865556 415130965 /nfs/dbraw/zinc/13/09/65/415130965.db2.gz SBMJFXRZLYUYBT-UHFFFAOYSA-N 0 0 300.362 0.957 50 0 DCAARN O=C(CNC(=O)Cc1ccc(N2CCCC2=O)cc1)NC1CC1 ZINC000006990788 415137897 /nfs/dbraw/zinc/13/78/97/415137897.db2.gz VRRNFEBXPMLGHQ-UHFFFAOYSA-N 0 0 315.373 0.751 50 0 DCAARN CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)noc1C ZINC000007216606 415137937 /nfs/dbraw/zinc/13/79/37/415137937.db2.gz XJOMVTXZXHXNKT-SNVBAGLBSA-N 0 0 322.408 0.489 50 0 DCAARN COCCNC(=O)c1nn(-c2ccccc2C)c(=O)cc1OC ZINC000007456484 415139216 /nfs/dbraw/zinc/13/92/16/415139216.db2.gz BKQZZKATXJSMJB-UHFFFAOYSA-N 0 0 317.345 0.926 50 0 DCAARN CCCNC(=O)[C@@H](C)NC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000007627941 415140977 /nfs/dbraw/zinc/14/09/77/415140977.db2.gz FNRRKVKDXDHWIT-SNVBAGLBSA-N 0 0 312.391 0.735 50 0 DCAARN CN(C)S(=O)(=O)c1cccc(CSc2nnnn2C)c1 ZINC000007737176 415141987 /nfs/dbraw/zinc/14/19/87/415141987.db2.gz TUUGQFRNBXGUGU-UHFFFAOYSA-N 0 0 313.408 0.753 50 0 DCAARN Cc1cccc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)c1O ZINC000007701571 415142355 /nfs/dbraw/zinc/14/23/55/415142355.db2.gz MQTSHZKNEPFUKU-UHFFFAOYSA-N 0 0 320.345 0.581 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCN(c2ccccc2F)CC1 ZINC000011499558 415148228 /nfs/dbraw/zinc/14/82/28/415148228.db2.gz MGQRNHAKTROPGM-NSHDSACASA-N 0 0 320.324 0.072 50 0 DCAARN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000026171037 415165782 /nfs/dbraw/zinc/16/57/82/415165782.db2.gz BEDIJCQOKPBANA-PHIMTYICSA-N 0 0 303.366 0.920 50 0 DCAARN COc1ccc(S(=O)(=O)NCCn2ccnc2)cc1OC ZINC000025673327 415166466 /nfs/dbraw/zinc/16/64/66/415166466.db2.gz SPBREVOOGCUVMS-UHFFFAOYSA-N 0 0 311.363 0.879 50 0 DCAARN CNS(=O)(=O)c1cccc(CNC(=O)c2cnc(C)cn2)c1 ZINC000027346835 415168013 /nfs/dbraw/zinc/16/80/13/415168013.db2.gz ZDCNXMVPPKZWFH-UHFFFAOYSA-N 0 0 320.374 0.623 50 0 DCAARN C[C@@H](OC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)C(N)=O ZINC000027791386 415173369 /nfs/dbraw/zinc/17/33/69/415173369.db2.gz SAPLNNWKGZGFEL-SSDOTTSWSA-N 0 0 309.253 0.059 50 0 DCAARN CCCn1nnnc1COC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000027951256 415174529 /nfs/dbraw/zinc/17/45/29/415174529.db2.gz FZFRGAZHBXDQHO-UHFFFAOYSA-N 0 0 317.305 0.771 50 0 DCAARN COc1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)ccc1OCC(N)=O ZINC000027872982 415174821 /nfs/dbraw/zinc/17/48/21/415174821.db2.gz ILYPSAZMLPLLKQ-CMPLNLGQSA-N 0 0 322.361 0.857 50 0 DCAARN COC(=O)CNC(=O)[C@]1(C)Oc2ccc(Cl)cc2NC1=O ZINC000041550337 415201082 /nfs/dbraw/zinc/20/10/82/415201082.db2.gz NDPOWTAPRXASCI-ZDUSSCGKSA-N 0 0 312.709 0.719 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)CCN1CCSC1=O ZINC000044940444 415234313 /nfs/dbraw/zinc/23/43/13/415234313.db2.gz HPVGEMHWSXVMNO-LLVKDONJSA-N 0 0 301.412 0.382 50 0 DCAARN CC(C)CNC(=O)C(=O)Nc1ccc(-c2nnn(C)n2)cc1 ZINC000044920126 415234525 /nfs/dbraw/zinc/23/45/25/415234525.db2.gz DKBDRTMXNBDQRF-UHFFFAOYSA-N 0 0 302.338 0.588 50 0 DCAARN Cc1noc(CS(=O)(=O)CC(=O)N2CCC[C@@H](C)C2)n1 ZINC000044938338 415235115 /nfs/dbraw/zinc/23/51/15/415235115.db2.gz MSRCZWFVHDOYED-SECBINFHSA-N 0 0 301.368 0.551 50 0 DCAARN C[C@@H](C(=O)NCc1ccc(N2CCCC2)nc1)S(C)(=O)=O ZINC000044936827 415235515 /nfs/dbraw/zinc/23/55/15/415235515.db2.gz QPCXRRWIGAVGBJ-NSHDSACASA-N 0 0 311.407 0.731 50 0 DCAARN CC(C)CCN1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000044944830 415235878 /nfs/dbraw/zinc/23/58/78/415235878.db2.gz MFFCLRNSPFHAJC-UHFFFAOYSA-N 0 0 300.428 0.773 50 0 DCAARN COCCn1nc(C(=O)N(C[C@H]2CCOC2)C2CC2)ccc1=O ZINC000044941237 415236134 /nfs/dbraw/zinc/23/61/34/415236134.db2.gz JVTHPABMRNQCRT-GFCCVEGCSA-N 0 0 321.377 0.531 50 0 DCAARN C[C@@H](C(=O)N1CCN(Cc2ccco2)CC1)S(C)(=O)=O ZINC000044949343 415237666 /nfs/dbraw/zinc/23/76/66/415237666.db2.gz GUUYNOWTERPFFA-NSHDSACASA-N 0 0 300.380 0.357 50 0 DCAARN CC(C)Oc1ncccc1CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000044952773 415238572 /nfs/dbraw/zinc/23/85/72/415238572.db2.gz MUJAVLCCLZBDJC-GFCCVEGCSA-N 0 0 312.391 0.920 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)N[C@@H]1CCc2ccccc21 ZINC000045138861 415243105 /nfs/dbraw/zinc/24/31/05/415243105.db2.gz FIIGDRQPWYONJU-CYBMUJFWSA-N 0 0 311.407 0.912 50 0 DCAARN Cc1n[nH]cc1CCCNC(=O)NCC1(C(N)=O)CCOCC1 ZINC000045539451 415246346 /nfs/dbraw/zinc/24/63/46/415246346.db2.gz BXOCRAUJSMBAPT-UHFFFAOYSA-N 0 0 323.397 0.232 50 0 DCAARN O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1ccccn1 ZINC000045536677 415248182 /nfs/dbraw/zinc/24/81/82/415248182.db2.gz BHWYUCRGXJFAEW-ZIAGYGMSSA-N 0 0 320.393 0.940 50 0 DCAARN Cc1noc(C)c1CN(C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000045674535 415251526 /nfs/dbraw/zinc/25/15/26/415251526.db2.gz HDCHNGQIKVWAEA-NSHDSACASA-N 0 0 315.395 0.868 50 0 DCAARN CN(CC(=O)Nc1ccc(-n2cccn2)nc1)S(C)(=O)=O ZINC000046196841 415259614 /nfs/dbraw/zinc/25/96/14/415259614.db2.gz IKPFXLKDGZKEOO-UHFFFAOYSA-N 0 0 309.351 0.097 50 0 DCAARN CCc1cccc(OCC(=O)NC2CCN(CC(N)=O)CC2)c1 ZINC000046811322 415263566 /nfs/dbraw/zinc/26/35/66/415263566.db2.gz APDCNJIBGKDETO-UHFFFAOYSA-N 0 0 319.405 0.694 50 0 DCAARN COCCN1C[C@@H](C(=O)NCc2ccnc(N(C)C)c2)CC1=O ZINC000047539785 415272835 /nfs/dbraw/zinc/27/28/35/415272835.db2.gz JDTWVFVFQZIPSP-ZDUSSCGKSA-N 0 0 320.393 0.259 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)NCC1(C(N)=O)CCOCC1 ZINC000047909143 415279392 /nfs/dbraw/zinc/27/93/92/415279392.db2.gz HVDQUSJFVWSMKK-UHFFFAOYSA-N 0 0 322.409 0.368 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1ccc2c(c1)OCO2 ZINC000044457440 415222664 /nfs/dbraw/zinc/22/26/64/415222664.db2.gz ZTTJEBJAMUHOMX-VIFPVBQESA-N 0 0 312.347 0.972 50 0 DCAARN CN(Cc1cccnc1)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000044515388 415222962 /nfs/dbraw/zinc/22/29/62/415222962.db2.gz QALUTJICXSPXFZ-INIZCTEOSA-N 0 0 316.361 0.761 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1cnc2ccccc2n1 ZINC000044457226 415223052 /nfs/dbraw/zinc/22/30/52/415223052.db2.gz JSLZTPYRBBAGOJ-SNVBAGLBSA-N 0 0 305.359 0.794 50 0 DCAARN Cc1[nH]c(=S)sc1CC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000044724745 415223799 /nfs/dbraw/zinc/22/37/99/415223799.db2.gz MJWZMNSPSMETRR-QMMMGPOBSA-N 0 0 320.461 0.834 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000044722550 415226799 /nfs/dbraw/zinc/22/67/99/415226799.db2.gz NWNQVRUVZHVXSV-GFCCVEGCSA-N 0 0 313.423 0.520 50 0 DCAARN Cc1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)nc1 ZINC000044890074 415227772 /nfs/dbraw/zinc/22/77/72/415227772.db2.gz QKXSETBPZLJBKP-UHFFFAOYSA-N 0 0 318.358 0.826 50 0 DCAARN O=C(NCCc1cccc(F)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000044893478 415227961 /nfs/dbraw/zinc/22/79/61/415227961.db2.gz QSIHNSHFNFSTTH-GFCCVEGCSA-N 0 0 300.355 0.855 50 0 DCAARN CC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)CCO3)CC1 ZINC000044869715 415229732 /nfs/dbraw/zinc/22/97/32/415229732.db2.gz ZYBLQOPAOFCEQR-UHFFFAOYSA-N 0 0 324.402 0.911 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)c1cc(-c2ccco2)on1 ZINC000044861131 415229842 /nfs/dbraw/zinc/22/98/42/415229842.db2.gz JMVUUXXXZCTGCG-UHFFFAOYSA-N 0 0 313.335 0.604 50 0 DCAARN CCN(CC)S(=O)(=O)N1CCN(Cc2ccccn2)CC1 ZINC000044895832 415231679 /nfs/dbraw/zinc/23/16/79/415231679.db2.gz ZSHKKIDDQCBFCI-UHFFFAOYSA-N 0 0 312.439 0.786 50 0 DCAARN Cc1nccn1-c1cc(CNC(=O)[C@@H](C)S(C)(=O)=O)ccn1 ZINC000048238920 415286747 /nfs/dbraw/zinc/28/67/47/415286747.db2.gz BYXOAWLAKSAGAZ-SNVBAGLBSA-N 0 0 322.390 0.625 50 0 DCAARN COCCn1nc(C(=O)NCCc2ccccn2)ccc1=O ZINC000048309096 415291018 /nfs/dbraw/zinc/29/10/18/415291018.db2.gz QJJUZLQLSDIYAW-UHFFFAOYSA-N 0 0 302.334 0.257 50 0 DCAARN C[C@H](C(N)=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000057910244 415339036 /nfs/dbraw/zinc/33/90/36/415339036.db2.gz KWOXQSWILDNSIA-LLVKDONJSA-N 0 0 314.407 0.665 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)c2cccnc2N(C)C)CC1 ZINC000070004055 415406367 /nfs/dbraw/zinc/40/63/67/415406367.db2.gz FDBLIPRSUBNPAI-ZDUSSCGKSA-N 0 0 306.410 0.676 50 0 DCAARN O=C([C@H]1CCCN1c1ccc2nnnn2n1)N1CCSCC1 ZINC000066818228 415363599 /nfs/dbraw/zinc/36/35/99/415363599.db2.gz YFNMIOFOZARKNQ-SNVBAGLBSA-N 0 0 319.394 0.064 50 0 DCAARN CCc1nc(C)sc1CNC(=O)c1c[nH]nc1-n1cnnn1 ZINC000067650344 415378376 /nfs/dbraw/zinc/37/83/76/415378376.db2.gz LUACNVOBHSXOQF-UHFFFAOYSA-N 0 0 318.366 0.643 50 0 DCAARN O=C(N[C@H]1CCNC1=O)c1cc(COc2ccccc2F)n[nH]1 ZINC000067787691 415384151 /nfs/dbraw/zinc/38/41/51/415384151.db2.gz IXTFDJFVYBRKCP-NSHDSACASA-N 0 0 318.308 0.746 50 0 DCAARN CCc1ncc2c(n1)CN(C(=O)C[C@@H](C)N1CCOCC1)C2 ZINC000067820023 415386727 /nfs/dbraw/zinc/38/67/27/415386727.db2.gz IUUKTLUWAJBCJA-GFCCVEGCSA-N 0 0 304.394 0.992 50 0 DCAARN CC1=C(C(=O)N2CCC3(CNC(=O)O3)CC2)[C@H](C)NC(=O)N1 ZINC000067947789 415390076 /nfs/dbraw/zinc/39/00/76/415390076.db2.gz ZOENFWQHMDRPGR-QMMMGPOBSA-N 0 0 308.338 0.063 50 0 DCAARN Cc1cc(C(=O)Nc2ccc(-n3nnn(C)c3=O)cc2)no1 ZINC000075163140 415440318 /nfs/dbraw/zinc/44/03/18/415440318.db2.gz KPNQFZZRQDBZFK-UHFFFAOYSA-N 0 0 300.278 0.515 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC000075170998 415441048 /nfs/dbraw/zinc/44/10/48/415441048.db2.gz HUWZZZFHMSYIEP-UHFFFAOYSA-N 0 0 308.363 0.052 50 0 DCAARN O=C(NCc1nc2ccccc2[nH]1)[C@H]1CSCCC(=O)N1 ZINC000075171027 415441272 /nfs/dbraw/zinc/44/12/72/415441272.db2.gz ZLMLKQXBSKIIMI-LLVKDONJSA-N 0 0 304.375 0.801 50 0 DCAARN O=C(CCc1cn[nH]c1)N1CC[C@@]2(C1)CCCN(CCO)C2=O ZINC000091651395 415538852 /nfs/dbraw/zinc/53/88/52/415538852.db2.gz MKSVLIGAZNVXLX-MRXNPFEDSA-N 0 0 320.393 0.176 50 0 DCAARN COCCN(C)CC(=O)N1CCC2(CC1)OCCC[C@@H]2O ZINC000092028062 415539123 /nfs/dbraw/zinc/53/91/23/415539123.db2.gz GVQUVIUPWDNMPX-ZDUSSCGKSA-N 0 0 300.399 0.097 50 0 DCAARN C[C@@H]1C[C@H](C)CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000095098726 415548131 /nfs/dbraw/zinc/54/81/31/415548131.db2.gz IACWJRHJSMKDEU-AOOOYVTPSA-N 0 0 305.382 0.438 50 0 DCAARN CN1Cc2ccccc2C[C@@H]1C(=O)NCc1nnc2n1CCC2 ZINC000095374292 415559969 /nfs/dbraw/zinc/55/99/69/415559969.db2.gz HLZQWEZBCDHZLA-CQSZACIVSA-N 0 0 311.389 0.897 50 0 DCAARN CCN1CCN([C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)CC1 ZINC000095531912 415562699 /nfs/dbraw/zinc/56/26/99/415562699.db2.gz POGSCQABIVBGSB-HNNXBMFYSA-N 0 0 317.389 0.965 50 0 DCAARN COC(=O)c1cn(C2CCN(C(=O)[C@H](C)SC)CC2)nn1 ZINC000095940069 415562957 /nfs/dbraw/zinc/56/29/57/415562957.db2.gz QSFQFVFSNCFPKO-VIFPVBQESA-N 0 0 312.395 0.980 50 0 DCAARN CCOC(=O)[C@@H](CNC(=O)C(C)(CO)CO)Cc1ccccc1 ZINC000095976468 415566431 /nfs/dbraw/zinc/56/64/31/415566431.db2.gz LFCWGFQVQHJLGC-CQSZACIVSA-N 0 0 323.389 0.516 50 0 DCAARN Cc1ccc(SCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)nc1 ZINC000095984530 415567241 /nfs/dbraw/zinc/56/72/41/415567241.db2.gz HPWXYCQVMPFGHV-UHFFFAOYSA-N 0 0 317.374 0.956 50 0 DCAARN O=C(CN1CCOCC1)N1CCN(c2ncccc2F)CC1 ZINC000095964496 415567351 /nfs/dbraw/zinc/56/73/51/415567351.db2.gz VVHQCZHGJSTNEI-UHFFFAOYSA-N 0 0 308.357 0.202 50 0 DCAARN O=C(Cn1cc(CCO)c(C(F)(F)F)n1)N1CCOCC1 ZINC000095994846 415568873 /nfs/dbraw/zinc/56/88/73/415568873.db2.gz TUPXSRAVKLYWCM-UHFFFAOYSA-N 0 0 307.272 0.296 50 0 DCAARN CC(C)(C)OC(=O)COCCOCCOCCOCCO ZINC000096503386 415579781 /nfs/dbraw/zinc/57/97/81/415579781.db2.gz NFZDNYVRTZIPKC-UHFFFAOYSA-N 0 0 308.371 0.387 50 0 DCAARN O=C(NCCNC(=O)N1CCc2ccccc2C1)c1ccn[nH]1 ZINC000097055313 415579815 /nfs/dbraw/zinc/57/98/15/415579815.db2.gz YBIGEKUIDVNMJB-UHFFFAOYSA-N 0 0 313.361 0.907 50 0 DCAARN O=S(=O)(c1cccnc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000097048140 415582968 /nfs/dbraw/zinc/58/29/68/415582968.db2.gz SSZWMQLJUKYIGU-GFCCVEGCSA-N 0 0 307.379 0.774 50 0 DCAARN CN(C1CCN(c2ncnc3c2cnn3C)CC1)S(C)(=O)=O ZINC000097160172 415585241 /nfs/dbraw/zinc/58/52/41/415585241.db2.gz AFYHSMGAIKRRSD-UHFFFAOYSA-N 0 0 324.410 0.224 50 0 DCAARN CCOc1ccc(CN2CCN(CC(N)=O)C[C@H]2CCO)cc1 ZINC000107011442 415657114 /nfs/dbraw/zinc/65/71/14/415657114.db2.gz AQCMNXAWGDGBEE-OAHLLOKOSA-N 0 0 321.421 0.439 50 0 DCAARN Cc1c[nH]cc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)c1=O ZINC000333545875 415677799 /nfs/dbraw/zinc/67/77/99/415677799.db2.gz ONOYQNQTXTXQSC-SNVBAGLBSA-N 0 0 303.322 0.874 50 0 DCAARN CCC1(CC)[C@H](NC(=O)c2nccnc2C(N)=O)C[C@H]1OC ZINC000133404801 415946788 /nfs/dbraw/zinc/94/67/88/415946788.db2.gz YXXOKDZJUAENBB-NXEZZACHSA-N 0 0 306.366 0.899 50 0 DCAARN Cc1nc2c(c(=O)[nH]1)CN(C(=O)CN(C)Cc1ccccn1)C2 ZINC000299755102 416064083 /nfs/dbraw/zinc/06/40/83/416064083.db2.gz BPCZAFQHAQSXPO-UHFFFAOYSA-N 0 0 313.361 0.860 50 0 DCAARN CCc1csc(CCNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000299761208 416064502 /nfs/dbraw/zinc/06/45/02/416064502.db2.gz WXEXZJKPGYJZRB-SECBINFHSA-N 0 0 302.421 0.799 50 0 DCAARN NC(=O)N1CCC[C@H]1C(=O)NCCc1noc(C(F)(F)F)n1 ZINC000299765851 416066085 /nfs/dbraw/zinc/06/60/85/416066085.db2.gz YQYJPJGXOSLHGV-LURJTMIESA-N 0 0 321.259 0.290 50 0 DCAARN Nc1cc(N2CCn3nc(CNc4cnccn4)cc3C2)ncn1 ZINC000299784540 416066711 /nfs/dbraw/zinc/06/67/11/416066711.db2.gz IEMHHFVXNWYBOQ-UHFFFAOYSA-N 0 0 323.364 0.678 50 0 DCAARN Cc1cc(F)ccc1C(=O)N1C[C@H](O)[C@@H](N2CCN(C)CC2)C1 ZINC000299776054 416066834 /nfs/dbraw/zinc/06/68/34/416066834.db2.gz MZIHHPBQVUGJBP-HOTGVXAUSA-N 0 0 321.396 0.567 50 0 DCAARN COCCn1cncc1CNC(=O)c1cc(C(C)C)nc(N)n1 ZINC000299782265 416067053 /nfs/dbraw/zinc/06/70/53/416067053.db2.gz MXWHEGDUECMTNN-UHFFFAOYSA-N 0 0 318.381 0.955 50 0 DCAARN Cc1scc(CCNC(=O)CN2C(=O)CN(C)C2=O)c1C ZINC000299778547 416067912 /nfs/dbraw/zinc/06/79/12/416067912.db2.gz MUCNPZFAHJNAID-UHFFFAOYSA-N 0 0 309.391 0.918 50 0 DCAARN CO[C@]12CCN(C(=O)c3ccc4nnnn4c3)[C@H]1C[C@H](O)CC2 ZINC000299793617 416068597 /nfs/dbraw/zinc/06/85/97/416068597.db2.gz HHVFOKVGWZLXTC-TYNCELHUSA-N 0 0 317.349 0.269 50 0 DCAARN COCCN1C[C@H](CNC(=O)c2cc(C3CC3)n[nH]2)CC1=O ZINC000299795008 416068619 /nfs/dbraw/zinc/06/86/19/416068619.db2.gz LPIAFQRGQOSFNF-JTQLQIEISA-N 0 0 306.366 0.512 50 0 DCAARN Nc1nc(C(=O)NC2CCN(c3cnccn3)CC2)cs1 ZINC000299786557 416069157 /nfs/dbraw/zinc/06/91/57/416069157.db2.gz VCGUQPCDFWQGOU-UHFFFAOYSA-N 0 0 304.379 0.914 50 0 DCAARN CCC(=O)N1CCC[C@H]1C(=O)N1CCc2nc[nH]c(=O)c2C1 ZINC000299791746 416069929 /nfs/dbraw/zinc/06/99/29/416069929.db2.gz FLKGIWDWZCHDOO-LBPRGKRZSA-N 0 0 304.350 0.468 50 0 DCAARN COCC(=O)NCc1cc2n(n1)CCN(Cc1nc(C)c[nH]1)C2 ZINC000299799282 416070918 /nfs/dbraw/zinc/07/09/18/416070918.db2.gz QVQNTESMVFPRIF-UHFFFAOYSA-N 0 0 318.381 0.193 50 0 DCAARN CCN1CCNC(=O)[C@H]1CC(=O)N1CCCn2nc(C)cc2C1 ZINC000299802651 416071731 /nfs/dbraw/zinc/07/17/31/416071731.db2.gz UYVLFLIPSBSXGN-CQSZACIVSA-N 0 0 319.409 0.134 50 0 DCAARN O=C(Cc1ccc(Cl)cc1)N1CCN2C(=O)CNC(=O)[C@@H]2C1 ZINC000299802047 416071812 /nfs/dbraw/zinc/07/18/12/416071812.db2.gz RJYQEYPOKQPHMT-LBPRGKRZSA-N 0 0 321.764 0.052 50 0 DCAARN O=C([C@H]1CCC(=O)c2cccn21)N1CCOC[C@H]1c1nc[nH]n1 ZINC000328859658 416135330 /nfs/dbraw/zinc/13/53/30/416135330.db2.gz ADYGCBSYZIOROD-NEPJUHHUSA-N 0 0 315.333 0.724 50 0 DCAARN C[C@@H]1CN(C(=O)[C@H]2CCCN2C2CC2)CCS(=O)(=O)C1 ZINC000330224158 416198346 /nfs/dbraw/zinc/19/83/46/416198346.db2.gz NNGIBPFYYWNXSQ-DGCLKSJQSA-N 0 0 300.424 0.506 50 0 DCAARN CCN(Cc1ccco1)[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000252463487 416334529 /nfs/dbraw/zinc/33/45/29/416334529.db2.gz YGXVLEKWKBDJKM-NEPJUHHUSA-N 0 0 314.407 0.793 50 0 DCAARN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCc1ncccc1O ZINC000331535357 416323856 /nfs/dbraw/zinc/32/38/56/416323856.db2.gz BNDBIZWZVFUMRB-ZWNOBZJWSA-N 0 0 302.334 0.915 50 0 DCAARN COc1ccc(F)c(F)c1CN1CCN(S(N)(=O)=O)CC1 ZINC000215085099 416327220 /nfs/dbraw/zinc/32/72/20/416327220.db2.gz VVLJPNOIDOROBB-UHFFFAOYSA-N 0 0 321.349 0.295 50 0 DCAARN CCc1ccc(CN(C)C(=O)c2c[nH]nc2-n2cnnn2)nc1 ZINC000216261675 416327485 /nfs/dbraw/zinc/32/74/85/416327485.db2.gz RXHXPEPSOCJRBX-UHFFFAOYSA-N 0 0 312.337 0.615 50 0 DCAARN CCn1ccc(C(=O)N(CCO)Cc2nccs2)cc1=O ZINC000216190885 416327486 /nfs/dbraw/zinc/32/74/86/416327486.db2.gz IJJPVOBBKHLFGN-UHFFFAOYSA-N 0 0 307.375 0.959 50 0 DCAARN O=C(NCc1cnn2cccnc12)c1cc2c([nH]c1=O)CCC2 ZINC000216214189 416327492 /nfs/dbraw/zinc/32/74/92/416327492.db2.gz RYZZOUVFXMXKLQ-UHFFFAOYSA-N 0 0 309.329 0.836 50 0 DCAARN COc1ccnc(N2CCCN(S(=O)(=O)C3CC3)CC2)n1 ZINC000239782498 416330040 /nfs/dbraw/zinc/33/00/40/416330040.db2.gz COSLEXYFBKHOGA-UHFFFAOYSA-N 0 0 312.395 0.490 50 0 DCAARN Cn1nc(-c2cccnc2)cc1CNC(=O)N1CCNC1=O ZINC000239611718 416330208 /nfs/dbraw/zinc/33/02/08/416330208.db2.gz FBQRUJWANXSGFT-UHFFFAOYSA-N 0 0 300.322 0.717 50 0 DCAARN CC[C@](O)(C(=O)NC[C@H](O)C(=O)OC)c1cccc(Cl)c1 ZINC000241774194 416330314 /nfs/dbraw/zinc/33/03/14/416330314.db2.gz RNUUDZBPUYPPQP-SMDDNHRTSA-N 0 0 315.753 0.588 50 0 DCAARN CNc1cc([C@H]2C[C@@H](NC(=O)c3ccc(=O)n(C)n3)C2)ncn1 ZINC000244633321 416330389 /nfs/dbraw/zinc/33/03/89/416330389.db2.gz GAZDHJZXBYFOTA-AOOOYVTPSA-N 0 0 314.349 0.288 50 0 DCAARN Cn1ccnc1N1CCC(NS(=O)(=O)c2cccnc2)CC1 ZINC000241776907 416330503 /nfs/dbraw/zinc/33/05/03/416330503.db2.gz RTLXFINDPWKYKT-UHFFFAOYSA-N 0 0 321.406 0.762 50 0 DCAARN C[C@H]1CN(C)CCN1C(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000241739076 416330519 /nfs/dbraw/zinc/33/05/19/416330519.db2.gz QZTKECFGRSZEQT-KBPBESRZSA-N 0 0 303.410 0.856 50 0 DCAARN O=C(NCC[C@@H]1CCOC1)c1cnn2cc(CCO)cnc12 ZINC000244723911 416330919 /nfs/dbraw/zinc/33/09/19/416330919.db2.gz MJWKVPRAFNUHDF-LLVKDONJSA-N 0 0 304.350 0.421 50 0 DCAARN CCOC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C ZINC000245391830 416331123 /nfs/dbraw/zinc/33/11/23/416331123.db2.gz AEGYBSUZFJXHMR-SECBINFHSA-N 0 0 307.368 0.584 50 0 DCAARN CNC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@H]2C2CCC2)cn1C ZINC000583651082 416480405 /nfs/dbraw/zinc/48/04/05/416480405.db2.gz FBCKFRHVOUFYFH-NWDGAFQWSA-N 0 0 311.407 0.852 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000583651701 416482557 /nfs/dbraw/zinc/48/25/57/416482557.db2.gz RJHCANKQWNUPNM-ZDUSSCGKSA-N 0 0 312.439 0.752 50 0 DCAARN Cc1ccc2oc(NC3CCN(S(N)(=O)=O)CC3)nc2c1 ZINC000583652031 416482702 /nfs/dbraw/zinc/48/27/02/416482702.db2.gz YPGJAWRGTATXOL-UHFFFAOYSA-N 0 0 310.379 1.216 50 0 DCAARN CN1CC[NH+](CC2(CNc3nccnc3C(=O)[O-])CC2)CC1 ZINC000584900599 416516978 /nfs/dbraw/zinc/51/69/78/416516978.db2.gz JNMCTKDFYHALPG-UHFFFAOYSA-N 0 0 305.382 0.614 50 0 DCAARN Nc1nnnn1-c1cccc(C(=O)N2CCCSCC2)c1 ZINC000585122215 416517396 /nfs/dbraw/zinc/51/73/96/416517396.db2.gz QXGNSDZHJQBEMC-UHFFFAOYSA-N 0 0 304.379 0.654 50 0 DCAARN CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cnn(C2CC2)c1 ZINC000585123771 416518158 /nfs/dbraw/zinc/51/81/58/416518158.db2.gz GZVDNZWIWJKARF-HNNXBMFYSA-N 0 0 306.366 0.585 50 0 DCAARN O=c1c(I)cccn1CC1(CO)COC1 ZINC000585123010 416518980 /nfs/dbraw/zinc/51/89/80/416518980.db2.gz PHKJIWJJQDDLED-UHFFFAOYSA-N 0 0 321.114 0.462 50 0 DCAARN Cc1ccc(Cl)cc1NC(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000585120130 416518992 /nfs/dbraw/zinc/51/89/92/416518992.db2.gz UGGKPZGCVMAMAN-NXEZZACHSA-N 0 0 324.768 0.699 50 0 DCAARN O=C(Nc1cnnn1-c1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000585119895 416519141 /nfs/dbraw/zinc/51/91/41/416519141.db2.gz ZDOFHORAPHJJEE-LLVKDONJSA-N 0 0 324.348 0.995 50 0 DCAARN Cn1ccnc1SCCNc1cc([C@H]2CCOC2)nc(N)n1 ZINC000426489299 416772540 /nfs/dbraw/zinc/77/25/40/416772540.db2.gz BWBHKFFITWHIAI-JTQLQIEISA-N 0 0 320.422 0.922 50 0 DCAARN Cc1nc(NCCSc2nnnn2C)cc([C@H]2CCOC2)n1 ZINC000426698171 416781961 /nfs/dbraw/zinc/78/19/61/416781961.db2.gz DPJCWSWDUUYKJE-JTQLQIEISA-N 0 0 321.410 1.017 50 0 DCAARN CNS(=O)(=O)C[C@H]1CCCN(C(=O)NC[C@H]2CCCO2)C1 ZINC000624148345 416968673 /nfs/dbraw/zinc/96/86/73/416968673.db2.gz BHLDLMYEBVSUIZ-NWDGAFQWSA-N 0 0 319.427 0.136 50 0 DCAARN COC[C@@H](C)n1ccc(NC(=O)N2CCC[C@@H](C(=O)OC)C2)n1 ZINC000390835364 417098672 /nfs/dbraw/zinc/09/86/72/417098672.db2.gz LVKXSRBRJIOBGR-VXGBXAGGSA-N 0 0 324.381 1.507 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)c2ccc3c(c2)CCO3)cn1 ZINC000617158294 417175048 /nfs/dbraw/zinc/17/50/48/417175048.db2.gz PPXAWVXFBRUODY-UHFFFAOYSA-N 0 0 300.318 0.816 50 0 DCAARN O[C@H](CN1CC[C@@H](Nc2ccc3nccn3n2)C1)C(F)(F)F ZINC000408523378 417166200 /nfs/dbraw/zinc/16/62/00/417166200.db2.gz JRLWNUBKZFLNMG-NXEZZACHSA-N 0 0 315.299 1.139 50 0 DCAARN OC[C@@]1(NCc2nnnn2C2CC2)COc2ccccc2C1 ZINC000528649477 417374750 /nfs/dbraw/zinc/37/47/50/417374750.db2.gz IQSFLAZDYGYIOZ-OAHLLOKOSA-N 0 0 301.350 0.464 50 0 DCAARN COCCNC(=O)C1(F)CCN(C(=O)c2ccncc2)CC1 ZINC000575554791 417538939 /nfs/dbraw/zinc/53/89/39/417538939.db2.gz BAAMKYOVKSIMMR-UHFFFAOYSA-N 0 0 309.341 0.789 50 0 DCAARN CCCNC(=O)NC1(CCOC)CCN(S(C)(=O)=O)CC1 ZINC000575545668 417538981 /nfs/dbraw/zinc/53/89/81/417538981.db2.gz LWGKRWLOSWYDNN-UHFFFAOYSA-N 0 0 321.443 0.526 50 0 DCAARN Cc1csc(C(=O)NCCOCCN2C(=O)CCC2=O)c1 ZINC000575606819 417539306 /nfs/dbraw/zinc/53/93/06/417539306.db2.gz UGYPKVSINTZBKU-UHFFFAOYSA-N 0 0 310.375 0.952 50 0 DCAARN COc1nc(CNC(=O)c2ccco2)nc(N2CCOCC2)n1 ZINC000575604033 417539827 /nfs/dbraw/zinc/53/98/27/417539827.db2.gz OTVPOKHXORMIGK-UHFFFAOYSA-N 0 0 319.321 0.240 50 0 DCAARN CCOC(=O)CCC(=O)NCCn1ccnc1-c1cnccn1 ZINC000575609747 417540899 /nfs/dbraw/zinc/54/08/99/417540899.db2.gz PICFIIYGTSWPRH-UHFFFAOYSA-N 0 0 317.349 0.800 50 0 DCAARN CN(C)c1nc(CNC(=O)Cn2cccc2)nc(N(C)C)n1 ZINC000575608210 417541555 /nfs/dbraw/zinc/54/15/55/417541555.db2.gz RZXULQOTWXBBTO-UHFFFAOYSA-N 0 0 303.370 0.122 50 0 DCAARN CNC(=O)/C=C/CNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000575617871 417541670 /nfs/dbraw/zinc/54/16/70/417541670.db2.gz RKUIGSOUVUWNKL-OOPCZODUSA-N 0 0 315.373 0.766 50 0 DCAARN CCn1c(=O)n(C)nc1C1CCN(C(=O)c2ccnn2C)CC1 ZINC000575314724 417526455 /nfs/dbraw/zinc/52/64/55/417526455.db2.gz NBRWAGIXFUQLLO-UHFFFAOYSA-N 0 0 318.381 0.355 50 0 DCAARN Cn1ccnc1CN1CCN(Cc2nc(C3CC3)nn2C)CC1 ZINC000645799975 417797451 /nfs/dbraw/zinc/79/74/51/417797451.db2.gz XTPMLIGDGPCUSJ-UHFFFAOYSA-N 0 0 315.425 0.744 50 0 DCAARN CCOC[C@@H]1CN(C(=O)NCCc2ncc(C)cn2)CCO1 ZINC000527834046 272624305 /nfs/dbraw/zinc/62/43/05/272624305.db2.gz PZRXLLOKSBIYKD-ZDUSSCGKSA-N 0 0 308.382 0.774 50 0 DCAARN CCCCn1c(=O)c2c(nc3n2CC(C)=NN3C)n(C)c1=O ZINC000010386993 273606718 /nfs/dbraw/zinc/60/67/18/273606718.db2.gz JUFFUSNBRNGFQM-UHFFFAOYSA-N 0 0 304.354 0.523 50 0 DCAARN CC[C@H](CCNC(=O)[C@]1(O)CCSC1)N1CCCC1=O ZINC000095451722 287840134 /nfs/dbraw/zinc/84/01/34/287840134.db2.gz VLRJDPYFYABDJO-RISCZKNCSA-N 0 0 300.424 0.762 50 0 DCAARN C=CC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000328596904 277815632 /nfs/dbraw/zinc/81/56/32/277815632.db2.gz BKUKHKOUWIETEK-HTQZYQBOSA-N 0 0 300.302 0.453 50 0 DCAARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCS(C)(=O)=O ZINC000056015291 278390668 /nfs/dbraw/zinc/39/06/68/278390668.db2.gz YVVOOKDVLPEVTE-SNVBAGLBSA-N 0 0 320.411 0.547 50 0 DCAARN CC(C)CCS(=O)(=O)CC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000071829547 278775878 /nfs/dbraw/zinc/77/58/78/278775878.db2.gz BFOGTBWNOFOMDL-NWDGAFQWSA-N 0 0 318.439 0.560 50 0 DCAARN Cc1nc2sccc2c(N2CCN3CCN(C)C(=O)[C@H]3C2)n1 ZINC000108013869 279147188 /nfs/dbraw/zinc/14/71/88/279147188.db2.gz GQWADPVWENJCDK-GFCCVEGCSA-N 0 0 317.418 0.962 50 0 DCAARN CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000001569740 279177216 /nfs/dbraw/zinc/17/72/16/279177216.db2.gz HYIFFZAQXPUEAU-QWRGUYRKSA-N 0 0 301.387 0.092 50 0 DCAARN CCN1C(=O)C[C@H](N2CCN(c3nc(C)cc(C)n3)CC2)C1=O ZINC000019890294 279249598 /nfs/dbraw/zinc/24/95/98/279249598.db2.gz ONAQCFPXMLAQNP-ZDUSSCGKSA-N 0 0 317.393 0.363 50 0 DCAARN O=C([C@@H]1CCOc2ccccc2C1)N1CCS(=O)(=O)CC1 ZINC000096167084 280096850 /nfs/dbraw/zinc/09/68/50/280096850.db2.gz CPWKULQVNORPFP-CYBMUJFWSA-N 0 0 309.387 0.885 50 0 DCAARN Cc1cc(C(=O)N[C@@H]2CCN(c3nccs3)C[C@H]2O)no1 ZINC000299759336 280353198 /nfs/dbraw/zinc/35/31/98/280353198.db2.gz GGUNYYIMMOZYAY-MWLCHTKSSA-N 0 0 308.363 0.809 50 0 DCAARN C[C@@H]1COCCN1C(=O)NC1CCN(c2ncccn2)CC1 ZINC000045710570 288337005 /nfs/dbraw/zinc/33/70/05/288337005.db2.gz PVZWXWNJXAIIQD-GFCCVEGCSA-N 0 0 305.382 0.876 50 0 DCAARN Cc1nc2[nH]cnn2c(=O)c1NS(=O)(=O)c1ccccc1 ZINC000009560712 293558139 /nfs/dbraw/zinc/55/81/39/293558139.db2.gz YTFZJXVQQNAJJD-UHFFFAOYSA-N 0 0 305.319 0.939 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)N(CC(N)=O)C2CCCC2)C[C@H](C)O1 ZINC000047281728 297044242 /nfs/dbraw/zinc/04/42/42/297044242.db2.gz ZBEIEKOFCDVXFS-PHIMTYICSA-N 0 0 319.427 0.070 50 0 DCAARN Cn1nccc1N1CCC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC000253394805 294590809 /nfs/dbraw/zinc/59/08/09/294590809.db2.gz ASANBEWOGLKCAN-BLLLJJGKSA-N 0 0 319.409 0.421 50 0 DCAARN C[C@H]1CCC[C@H](C)C12NC(=O)N(CCS(C)(=O)=O)C2=O ZINC000049002098 299880861 /nfs/dbraw/zinc/88/08/61/299880861.db2.gz RWOHTFNQMKMYRO-UWVGGRQHSA-N 0 0 302.396 0.778 50 0 DCAARN COc1ccc([C@H](C)NC(=O)CN(C)S(C)(=O)=O)cc1 ZINC000022606716 295235710 /nfs/dbraw/zinc/23/57/10/295235710.db2.gz AXMFHGHFUVTGHT-JTQLQIEISA-N 0 0 300.380 0.764 50 0 DCAARN NS(=O)(=O)CCCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000076016656 295281599 /nfs/dbraw/zinc/28/15/99/295281599.db2.gz CCRRKDXFGPPJFB-RKDXNWHRSA-N 0 0 318.345 0.863 50 0 DCAARN O=C(NC(=S)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000012223397 295590269 /nfs/dbraw/zinc/59/02/69/295590269.db2.gz LNWFGIPDTYFCIN-SNVBAGLBSA-N 0 0 316.379 0.617 50 0 DCAARN NC(=O)CN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000043122446 303250307 /nfs/dbraw/zinc/25/03/07/303250307.db2.gz RWSMDMLYBVGDIQ-HUUCEWRRSA-N 0 0 319.380 0.995 50 0 DCAARN O=C(CN1CCOC1=O)Nc1nc2c(s1)C(=O)NCCC2 ZINC000211131723 303614374 /nfs/dbraw/zinc/61/43/74/303614374.db2.gz QYHDOFQZWNVICE-UHFFFAOYSA-N 0 0 310.335 0.210 50 0 DCAARN O=C(NCc1ccccn1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000012516714 331531968 /nfs/dbraw/zinc/53/19/68/331531968.db2.gz CJGUQZHJBBFKCM-UHFFFAOYSA-N 0 0 318.358 0.195 50 0 DCAARN Cn1cnnc1Sc1ccc(-c2cn(C[C@H](O)CO)nn2)o1 ZINC000091269880 332102630 /nfs/dbraw/zinc/10/26/30/332102630.db2.gz HSOBTTLNLFSTAZ-QMMMGPOBSA-N 0 0 322.350 0.171 50 0 DCAARN O=C(N1CCN(c2nc[nH]n2)CC1)C1(Cn2ccnc2)CC1 ZINC000299761331 334257930 /nfs/dbraw/zinc/25/79/30/334257930.db2.gz VBXQHYKOZBMQML-UHFFFAOYSA-N 0 0 301.354 0.130 50 0 DCAARN CCc1nc(S(=O)(=O)NC[C@H](CC)N2CCOCC2)c[nH]1 ZINC000534590165 334293941 /nfs/dbraw/zinc/29/39/41/334293941.db2.gz ATKJMASCMIOYBK-NSHDSACASA-N 0 0 316.427 0.361 50 0 DCAARN CN1CCO[C@H](CNC(=O)c2ccccc2-n2cnnc2)C1 ZINC000534590845 334294404 /nfs/dbraw/zinc/29/44/04/334294404.db2.gz LPZZDBCETGDAAC-GFCCVEGCSA-N 0 0 301.350 0.328 50 0 DCAARN C[C@H]1CNCCN1S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 ZINC000534631761 334307437 /nfs/dbraw/zinc/30/74/37/334307437.db2.gz AIUSMSJRZMAUQE-VIFPVBQESA-N 0 0 311.363 0.114 50 0 DCAARN Cc1cnn([C@@H](C)CNC(=O)CN2C(=O)NC(=O)C2(C)C)c1 ZINC000534637770 334309910 /nfs/dbraw/zinc/30/99/10/334309910.db2.gz FDEPEBGSMCLKNW-JTQLQIEISA-N 0 0 307.354 0.199 50 0 DCAARN O=S(=O)(Cc1cc(F)ccc1Cl)N[C@H]1C[NH2+]CC[C@H]1O ZINC000534676116 334326835 /nfs/dbraw/zinc/32/68/35/334326835.db2.gz WIILOEKGHFVSQV-NWDGAFQWSA-N 0 0 322.789 0.621 50 0 DCAARN O=C(CCCn1cnnn1)NC[C@@H]1COc2ccccc2O1 ZINC000299775440 534392794 /nfs/dbraw/zinc/39/27/94/534392794.db2.gz FQABHNPADLEBNL-LLVKDONJSA-N 0 0 303.322 0.410 50 0 DCAARN C[C@@H](NC(=O)Cn1cc(F)ccc1=O)C(=O)N1CCCCC1 ZINC000190733361 525142014 /nfs/dbraw/zinc/14/20/14/525142014.db2.gz BEQGTUDVHQDZCB-LLVKDONJSA-N 0 0 309.341 0.505 50 0 DCAARN CC1(CCCCON=C(N)CN2CCOCC2)OCCO1 ZINC000408525025 527921095 /nfs/dbraw/zinc/92/10/95/527921095.db2.gz HSRMMHXLXDTNJB-UHFFFAOYSA-N 0 0 301.387 0.750 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccncn1 ZINC000330833694 528807771 /nfs/dbraw/zinc/80/77/71/528807771.db2.gz VJGUTSDPKWOFBI-GFCCVEGCSA-N 0 0 312.395 0.297 50 0 DCAARN CC(C)N1C[C@H](C(=O)NCc2cnc3cnccn23)CCC1=O ZINC000299782739 529098395 /nfs/dbraw/zinc/09/83/95/529098395.db2.gz QFJRNCJAQGRSJY-GFCCVEGCSA-N 0 0 315.377 0.993 50 0 DCAARN COc1ccc(C(=O)N2CCOCC2)nc1N1CCOCC1 ZINC000019872911 536727470 /nfs/dbraw/zinc/72/74/70/536727470.db2.gz QGZMVBNVANOCAI-UHFFFAOYSA-N 0 0 307.350 0.399 50 0 DCAARN COc1cc(N2CCC(Cn3cc(CO)nn3)CC2)ncn1 ZINC000020327294 536824083 /nfs/dbraw/zinc/82/40/83/536824083.db2.gz CSBIJOVTEPGCDF-UHFFFAOYSA-N 0 0 304.354 0.486 50 0 DCAARN CSc1nnc(CN(C)C[C@H](O)CN2CCOCC2)s1 ZINC000083246004 545697556 /nfs/dbraw/zinc/69/75/56/545697556.db2.gz JNFRHZSKCLTXOP-JTQLQIEISA-N 0 0 318.468 0.385 50 0 DCAARN CNC(=O)c1cccc(NC(=O)Nc2cnn(CCOC)c2)n1 ZINC000083882355 545698856 /nfs/dbraw/zinc/69/88/56/545698856.db2.gz FIVLPQWVCHAEPO-UHFFFAOYSA-N 0 0 318.337 0.928 50 0 DCAARN Cn1c2c(nc1C1CC1)CN(C[C@H](O)Cn1cccn1)CC2 ZINC000084310827 545700242 /nfs/dbraw/zinc/70/02/42/545700242.db2.gz XHDHMUZWNZLFKY-ZDUSSCGKSA-N 0 0 301.394 0.913 50 0 DCAARN O=C(COc1ccccc1F)N1CC(N2C(=O)CCC2=O)C1 ZINC000206953213 545936352 /nfs/dbraw/zinc/93/63/52/545936352.db2.gz CRNFNHZANNGWMQ-UHFFFAOYSA-N 0 0 306.293 0.564 50 0 DCAARN O=C(Cn1nc2ccccc2n1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000216034858 545938849 /nfs/dbraw/zinc/93/88/49/545938849.db2.gz XNTYIWFMRSUVQO-LLVKDONJSA-N 0 0 311.349 0.956 50 0 DCAARN O=C(CN1CCOCC1)N1CCC(OCc2cccnc2)CC1 ZINC000218812521 545940176 /nfs/dbraw/zinc/94/01/76/545940176.db2.gz FYIJMGLXODJIEH-UHFFFAOYSA-N 0 0 319.405 0.921 50 0 DCAARN Cc1cc([C@H]2CCCN2C(=O)CCn2ccc(=O)[nH]c2=O)no1 ZINC000222704328 545941432 /nfs/dbraw/zinc/94/14/32/545941432.db2.gz RGCYYGXILGZTEN-GFCCVEGCSA-N 0 0 318.333 0.587 50 0 DCAARN Cc1cc(=O)c2ccccc2n1CC(=O)N[C@@H]1CCOC[C@H]1O ZINC000222638433 545941457 /nfs/dbraw/zinc/94/14/57/545941457.db2.gz KAMKBZVAUGFXTI-CZUORRHYSA-N 0 0 316.357 0.576 50 0 DCAARN Cc1noc(C)c1CNC(=O)[C@@H]1CCc2nn(C)c(=O)cc2C1 ZINC000238860570 545960169 /nfs/dbraw/zinc/96/01/69/545960169.db2.gz KOLVPGYVBPMRDA-LLVKDONJSA-N 0 0 316.361 0.806 50 0 DCAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C)[C@@H](CCO)C2)c1 ZINC000670433738 547088217 /nfs/dbraw/zinc/08/82/17/547088217.db2.gz HVOQTMPOYXIGKQ-AWEZNQCLSA-N 0 0 312.435 0.991 50 0 DCAARN COCCc1nc(CC(N)=O)nn1C1Cc2ccccc2C1 ZINC000670434614 547088639 /nfs/dbraw/zinc/08/86/39/547088639.db2.gz VPBBETGYINNSDB-UHFFFAOYSA-N 0 0 300.362 0.835 50 0 DCAARN Cn1nc2c(c1C(=O)NC1CCS(=O)(=O)CC1)CCCC2 ZINC000670438667 547090849 /nfs/dbraw/zinc/09/08/49/547090849.db2.gz VHEMSWFSNODCPU-UHFFFAOYSA-N 0 0 311.407 0.606 50 0 DCAARN Cc1cc2nc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cc(C)n2n1 ZINC000670452178 547096659 /nfs/dbraw/zinc/09/66/59/547096659.db2.gz AHYRARRDTRFDQJ-CQSZACIVSA-N 0 0 322.390 0.653 50 0 DCAARN Cn1ncnc1CCNC(=O)[C@H]1CC(=O)OC12CCCCC2 ZINC000670451722 547096689 /nfs/dbraw/zinc/09/66/89/547096689.db2.gz GUVGOEKOMZRDEM-LLVKDONJSA-N 0 0 306.366 0.740 50 0 DCAARN Cn1ncnc1CCNC(=O)[C@@H]1CN(C)c2ccccc2O1 ZINC000670461936 547099487 /nfs/dbraw/zinc/09/94/87/547099487.db2.gz XAJOFSBTMUBEBX-ZDUSSCGKSA-N 0 0 301.350 0.371 50 0 DCAARN CCCCN1CCN(c2cncc(C(=O)N(C)C)n2)CC1=O ZINC000670467190 547100916 /nfs/dbraw/zinc/10/09/16/547100916.db2.gz KPAXRRFOFNWAKB-UHFFFAOYSA-N 0 0 305.382 0.627 50 0 DCAARN O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1ncc(F)cc1F ZINC000685941766 548747298 /nfs/dbraw/zinc/74/72/98/548747298.db2.gz IGMKLPISLGZPOU-WDEREUQCSA-N 0 0 310.260 0.659 50 0 DCAARN Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)nc1 ZINC000238876780 665494396 /nfs/dbraw/zinc/49/43/96/665494396.db2.gz OGDXOEPAKBFWMP-NSHDSACASA-N 0 0 300.318 0.767 50 0 DCAARN C[C@@H](C(=O)N1CCC(c2nnc[nH]2)CC1)N1CCN(C)CC1 ZINC000426651996 661690275 /nfs/dbraw/zinc/69/02/75/661690275.db2.gz NEHIPDHEQMFYDG-LBPRGKRZSA-N 0 0 306.414 0.147 50 0 DCAARN CN1CC(=O)N2C[C@H](NC(=O)OCc3ccccc3)C[C@H]2C1=O ZINC000067641493 662822475 /nfs/dbraw/zinc/82/24/75/662822475.db2.gz RXQVHSUHPMOGMK-OLZOCXBDSA-N 0 0 317.345 0.354 50 0 DCAARN COc1ccc(NS(=O)(=O)N=[S@](C)(=O)N(C)C)c(C)n1 ZINC000874434148 665175201 /nfs/dbraw/zinc/17/52/01/665175201.db2.gz BZCQBSARHOCTJX-IBGZPJMESA-N 0 0 322.412 0.630 50 0 DCAARN CCOc1nc(C)ccc1C(=O)NC1(C(N)=O)CCOCC1 ZINC000585079404 666170273 /nfs/dbraw/zinc/17/02/73/666170273.db2.gz WYMSBNFSWLLJMY-UHFFFAOYSA-N 0 0 307.350 0.553 50 0 DCAARN COc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCSCC3)C2)cc1 ZINC000011950981 666278073 /nfs/dbraw/zinc/27/80/73/666278073.db2.gz FXQAFNLVQXRVCB-GJZGRUSLSA-N 0 0 322.430 0.929 50 0 DCAARN NC(=O)c1c[nH]c(C(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000123278045 668144352 /nfs/dbraw/zinc/14/43/52/668144352.db2.gz PVOWFGWREMTGDP-LBPRGKRZSA-N 0 0 300.318 0.802 50 0 DCAARN CC[C@H](NC(=O)c1cn(C(C)(C)C)nn1)C(=O)N1CCOCC1 ZINC000189108511 670090124 /nfs/dbraw/zinc/09/01/24/670090124.db2.gz NRKODGZTPCUZEM-NSHDSACASA-N 0 0 323.397 0.400 50 0 DCAARN CC(C)N(C)S(=O)(=O)N1CCN(Cc2cncs2)CC1 ZINC000952963118 685597917 /nfs/dbraw/zinc/59/79/17/685597917.db2.gz DAFSEBBMWSZRNI-UHFFFAOYSA-N 0 0 318.468 0.846 50 0 DCAARN Cc1cc2n(n1)CCN(C(=O)CCC(=O)Nc1nncs1)C2 ZINC000952968081 685598761 /nfs/dbraw/zinc/59/87/61/685598761.db2.gz JOZITGYBQIQMKZ-UHFFFAOYSA-N 0 0 320.378 0.804 50 0 DCAARN COc1nccnc1N1CCC(CNC(=O)[C@H]2CCOC2)CC1 ZINC000952975846 685600001 /nfs/dbraw/zinc/60/00/01/685600001.db2.gz KFYYQCRKBPXQSR-ZDUSSCGKSA-N 0 0 320.393 0.854 50 0 DCAARN CNS(=O)(=O)CCNC(=O)[C@@H](c1ccccc1C)N(C)C ZINC000952981667 685600935 /nfs/dbraw/zinc/60/09/35/685600935.db2.gz OMCFYZDZELRYMP-CYBMUJFWSA-N 0 0 313.423 0.263 50 0 DCAARN Cc1cc(S(=O)(=O)NCCC2N=NC(=O)N2C)c(C)s1 ZINC000952990088 685602813 /nfs/dbraw/zinc/60/28/13/685602813.db2.gz KGAWMKAUCQZGHZ-UHFFFAOYSA-N 0 0 316.408 0.720 50 0 DCAARN CN(C)Cc1nc(C(=O)N2CCc3c(=O)[nH]cnc3C2)cs1 ZINC000072132129 685073708 /nfs/dbraw/zinc/07/37/08/685073708.db2.gz LUCUMRHAAHECIV-UHFFFAOYSA-N 0 0 319.390 0.487 50 0 DCAARN CN(C)C(=O)c1nc(CN2CC[C@@]3(CCCO3)CCC2=O)no1 ZINC000071419483 685073819 /nfs/dbraw/zinc/07/38/19/685073819.db2.gz ZUEZMKGPNVQGSL-OAHLLOKOSA-N 0 0 322.365 0.833 50 0 DCAARN O[C@H]1CN(c2ncccc2C(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000072145722 685073927 /nfs/dbraw/zinc/07/39/27/685073927.db2.gz LVGSGEQNUJMXFP-RYUDHWBXSA-N 0 0 317.311 0.982 50 0 DCAARN COc1ccnc(N2CC[C@@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091745406 685104934 /nfs/dbraw/zinc/10/49/34/685104934.db2.gz MCFCVRXVUPLEBQ-OAHLLOKOSA-N 0 0 306.366 0.296 50 0 DCAARN COC(=O)CNC(=O)COC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000096464278 685111178 /nfs/dbraw/zinc/11/11/78/685111178.db2.gz PCRTYLOGEWPLQG-SREVYHEPSA-N 0 0 322.273 0.440 50 0 DCAARN Cc1nc(C)c(C(=O)N[C@@H]2CCc3n[nH]c(=O)n3CC2)s1 ZINC000169783342 685141219 /nfs/dbraw/zinc/14/12/19/685141219.db2.gz NKDCIKJNKQBJLJ-SECBINFHSA-N 0 0 307.379 0.780 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)[C@@H]3CC=CCC3)C[C@H]2C(N)=O)[nH]1 ZINC000169791304 685141240 /nfs/dbraw/zinc/14/12/40/685141240.db2.gz MKKSIPMFEGRAMB-IJLUTSLNSA-N 0 0 303.366 0.497 50 0 DCAARN COc1nc(N2CCC3(CC2)CC(=O)NC(=O)C3)ncc1F ZINC001772702973 1157841570 /nfs/dbraw/zinc/84/15/70/1157841570.db2.gz JRPVUOAKLABVQQ-UHFFFAOYSA-N 0 0 308.313 0.648 50 0 DCAARN Cc1cc(C)n([C@@H](C)CNC(=O)c2cnc(C(N)=O)cn2)n1 ZINC001772704899 1157842573 /nfs/dbraw/zinc/84/25/73/1157842573.db2.gz QQQNBUNBNJHVFK-JTQLQIEISA-N 0 0 302.338 0.380 50 0 DCAARN O=C(CCC(=O)N1CCCCCC1)N1C[C@@H]2[C@H](C1)C2(CO)CO ZINC001772707528 1157845377 /nfs/dbraw/zinc/84/53/77/1157845377.db2.gz UMZNOXAJALYYOD-OKILXGFUSA-N 0 0 324.421 0.228 50 0 DCAARN Cc1nnc2n1C[C@H](CNC(=O)c1nnc3n1CCCCC3)C2 ZINC001772707612 1157845975 /nfs/dbraw/zinc/84/59/75/1157845975.db2.gz XNNZBFUQQJBNFZ-NSHDSACASA-N 0 0 315.381 0.507 50 0 DCAARN Cc1n[nH]c(C)c1CN1C[C@H]2COC[C@@H]1C[N@H+](CC(=O)[O-])C2 ZINC001704307839 1179968049 /nfs/dbraw/zinc/96/80/49/1179968049.db2.gz FDZRPMABGIZMHO-STQMWFEESA-N 0 0 308.382 0.244 50 0 DCAARN Cc1noc(C)c1CN1C[C@H]2COC[C@@H]1C[N@H+](CC(=O)[O-])C2 ZINC001704328519 1179973366 /nfs/dbraw/zinc/97/33/66/1179973366.db2.gz KCRCQMBHKBSVFD-STQMWFEESA-N 0 0 309.366 0.509 50 0 DCAARN CN1C[C@H]2COC[C@@H]1CN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC001704331970 1179975990 /nfs/dbraw/zinc/97/59/90/1179975990.db2.gz WBJWDEBBHMLLGJ-YPMHNXCESA-N 0 0 314.382 0.777 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3ccc(N)nc3)C[C@@H]2O)[nH]n1 ZINC001704340182 1179978771 /nfs/dbraw/zinc/97/87/71/1179978771.db2.gz WWEGBCXEGCEDRA-YPMHNXCESA-N 0 0 301.350 0.371 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cccn(C)c3=O)C[C@H]2O)[nH]n1 ZINC001704353359 1179982550 /nfs/dbraw/zinc/98/25/50/1179982550.db2.gz UEPVFMMYOQFVLG-BXUZGUMPSA-N 0 0 316.361 0.092 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)Cn3ccnc3C)C[C@@H]2O)[nH]n1 ZINC001704355623 1179984408 /nfs/dbraw/zinc/98/44/08/1179984408.db2.gz UNTZSGFDPDBOHX-OCCSQVGLSA-N 0 0 303.366 0.285 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)NCCc2ncc[nH]2)cc1 ZINC000141506839 1180022794 /nfs/dbraw/zinc/02/27/94/1180022794.db2.gz BRIXDMTZEWTMQW-UHFFFAOYSA-N 0 0 308.363 0.290 50 0 DCAARN COc1ccc(C)cc1S(=O)(=O)N1CC(n2nccn2)C1 ZINC000888107156 747313651 /nfs/dbraw/zinc/31/36/51/747313651.db2.gz SMOJGTIJFIYRJM-UHFFFAOYSA-N 0 0 308.363 0.841 50 0 DCAARN CC(C)CC(=O)N1CC(n2cc(C(=O)N3CCOCC3)nn2)C1 ZINC000581810694 747698349 /nfs/dbraw/zinc/69/83/49/747698349.db2.gz MWEFAULHLYGSMD-UHFFFAOYSA-N 0 0 321.381 0.180 50 0 DCAARN Cc1nocc1C(=O)N1Cc2c(C(=O)NC3CC3)nn(C)c2C1 ZINC000675008747 748024923 /nfs/dbraw/zinc/02/49/23/748024923.db2.gz MDROPHOSKQJKLH-UHFFFAOYSA-N 0 0 315.333 0.765 50 0 DCAARN CCN1C[C@H](OC(=O)CN2CCCCCCC2=O)CNC1=O ZINC000585086544 748524447 /nfs/dbraw/zinc/52/44/47/748524447.db2.gz LFGWVDYJTGUIQG-GFCCVEGCSA-N 0 0 311.382 0.736 50 0 DCAARN CCc1ccccc1OCCN(C)C(=O)Cc1nc(=O)[nH][nH]1 ZINC000198095339 749197024 /nfs/dbraw/zinc/19/70/24/749197024.db2.gz CDJCOEKIDVCNNT-UHFFFAOYSA-N 0 0 304.350 0.740 50 0 DCAARN CCCc1cnc(N[C@@H]2C[C@H]3C(=O)N(C)CC(=O)N3C2)nc1 ZINC000823012064 758215704 /nfs/dbraw/zinc/21/57/04/758215704.db2.gz OZKRKPTVBZGMQT-NEPJUHHUSA-N 0 0 303.366 0.283 50 0 DCAARN CCCn1cc(S(=O)(=O)N[C@H](C)c2nnc(N)s2)cn1 ZINC000823032993 758219160 /nfs/dbraw/zinc/21/91/60/758219160.db2.gz FUMWQSDXJFKCNX-SSDOTTSWSA-N 0 0 316.412 0.766 50 0 DCAARN Cc1ncn(CCNC(=O)c2[nH]nc3c2CN(C)CC3)c1C ZINC000823806813 758269065 /nfs/dbraw/zinc/26/90/65/758269065.db2.gz SZGCSHXSIIDGSO-UHFFFAOYSA-N 0 0 302.382 0.641 50 0 DCAARN CNC(=O)CCC(=O)Nc1ccccc1CN1CCOCC1 ZINC000823819879 758269932 /nfs/dbraw/zinc/26/99/32/758269932.db2.gz OZBFAJKWGXWNKF-UHFFFAOYSA-N 0 0 305.378 0.984 50 0 DCAARN NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1ccccc1-n1cnnc1 ZINC000826846935 758845754 /nfs/dbraw/zinc/84/57/54/758845754.db2.gz MVHHEWHKNWYTEJ-DGCLKSJQSA-N 0 0 311.345 0.817 50 0 DCAARN Nc1nc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)cs1 ZINC000827597778 758869635 /nfs/dbraw/zinc/86/96/35/758869635.db2.gz KMQKYISIRKXFHA-UHFFFAOYSA-N 0 0 312.376 0.303 50 0 DCAARN C[C@H](Cn1cccn1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000827627979 758872460 /nfs/dbraw/zinc/87/24/60/758872460.db2.gz FFFYTOFKFXBXPL-LLVKDONJSA-N 0 0 322.390 0.483 50 0 DCAARN CCn1ccc(C(=O)N2CC(=O)N(CC)C3(CCOCC3)C2)n1 ZINC000581801891 760251480 /nfs/dbraw/zinc/25/14/80/760251480.db2.gz UAQIYLRBBRSZFM-UHFFFAOYSA-N 0 0 320.393 0.757 50 0 DCAARN CCS(=O)(=O)N1CCC2(CC[C@@H]2NC(=O)COC)CC1 ZINC000581802989 760253792 /nfs/dbraw/zinc/25/37/92/760253792.db2.gz BXIMBYOXRPKSFI-NSHDSACASA-N 0 0 304.412 0.343 50 0 DCAARN COCc1nc([C@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)no1 ZINC000581795522 760253831 /nfs/dbraw/zinc/25/38/31/760253831.db2.gz OKEDDBWNRYZCDV-JTQLQIEISA-N 0 0 305.338 0.888 50 0 DCAARN CCOCC(=O)N1CCC2(CC1)[C@H](OC)C(=O)N2CC1CC1 ZINC000581803237 760254030 /nfs/dbraw/zinc/25/40/30/760254030.db2.gz SDXIEIGUVCXCGT-CQSZACIVSA-N 0 0 310.394 0.651 50 0 DCAARN COCC(=O)N1CC(c2nc(CCN(C)C(=O)C3CC3)no2)C1 ZINC000581809060 760255267 /nfs/dbraw/zinc/25/52/67/760255267.db2.gz DBJQEBCCJSEORQ-UHFFFAOYSA-N 0 0 322.365 0.053 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)NCC1(OCCO)CCCC1 ZINC000888106994 765410396 /nfs/dbraw/zinc/41/03/96/765410396.db2.gz LANGXLLHMOSADC-UHFFFAOYSA-N 0 0 318.395 0.891 50 0 DCAARN C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)C1CS(=O)(=O)C1 ZINC000585079739 766267781 /nfs/dbraw/zinc/26/77/81/766267781.db2.gz HPACWOHQNRUOKO-VIFPVBQESA-N 0 0 321.395 0.945 50 0 DCAARN Cc1nc(C(=O)NC[C@H]2COCO2)nn1-c1ccc(F)cc1 ZINC000585087941 766275551 /nfs/dbraw/zinc/27/55/51/766275551.db2.gz CKCMUYNQELQALX-LBPRGKRZSA-N 0 0 306.297 0.818 50 0 DCAARN Cn1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)OC(C)(C)C)C[C@H]2O)n1 ZINC000585126595 766289842 /nfs/dbraw/zinc/28/98/42/766289842.db2.gz CNYNOBNIDLIQBJ-YUSALJHKSA-N 0 0 309.366 0.631 50 0 DCAARN O=C(CNC(=O)c1ccc(F)cc1)NCCCN1CN=NC1=O ZINC000585130191 766291789 /nfs/dbraw/zinc/29/17/89/766291789.db2.gz KFVVEPOLVIHZSF-UHFFFAOYSA-N 0 0 321.312 0.059 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC(OCCF)C2)C1 ZINC000585129898 766291887 /nfs/dbraw/zinc/29/18/87/766291887.db2.gz AWTDQLPLCMKBAS-NSHDSACASA-N 0 0 322.402 0.245 50 0 DCAARN Cc1cc(N)cc(CNS(=O)(=O)N=[S@@](C)(=O)N(C)C)c1 ZINC000952879389 768943066 /nfs/dbraw/zinc/94/30/66/768943066.db2.gz PFDJTWAYFJLNIO-LJQANCHMSA-N 0 0 320.440 0.486 50 0 DCAARN O=C(CNC(=O)NC1CCCCC1)N1CCC2(C1)OCCO2 ZINC000169979021 941943445 /nfs/dbraw/zinc/94/34/45/941943445.db2.gz OWOIOYAOPFZGOE-UHFFFAOYSA-N 0 0 311.382 0.594 50 0 DCAARN CCN(CCN1CCOCC1)c1cncc(C(=O)N(C)C)n1 ZINC001529113393 1014499605 /nfs/dbraw/zinc/49/96/05/1014499605.db2.gz XYPJIVKJUSCQLN-UHFFFAOYSA-N 0 0 307.398 0.337 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)CCn3nccc3C)C[C@H]2O)[nH]n1 ZINC001529144054 1014505592 /nfs/dbraw/zinc/50/55/92/1014505592.db2.gz FRHKPBJFYNXNQG-UKRRQHHQSA-N 0 0 317.393 0.675 50 0 DCAARN CCN1CCNC(=O)[C@@H]1CC(=O)Nc1c2c(nn1C)CSC2 ZINC001529169001 1014510826 /nfs/dbraw/zinc/51/08/26/1014510826.db2.gz PSPKYOBNVNIGNG-NSHDSACASA-N 0 0 323.422 0.316 50 0 DCAARN NC(=O)C1(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)CC1 ZINC001529175018 1014512873 /nfs/dbraw/zinc/51/28/73/1014512873.db2.gz ZYQGSBGHYCIOPO-CHWSQXEVSA-N 0 0 304.346 0.213 50 0 DCAARN COc1ncc(CN2C[C@@H](Cc3ccccn3)[C@H](O)C2)cn1 ZINC001529174956 1014513699 /nfs/dbraw/zinc/51/36/99/1014513699.db2.gz ZTSADYXCSMZKIJ-UKRRQHHQSA-N 0 0 300.362 0.916 50 0 DCAARN O=C([C@H]1CC(=O)OC12CCCC2)N1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC001506405562 1017255525 /nfs/dbraw/zinc/25/55/25/1017255525.db2.gz BGYXTUQWBRZHDR-XHJNMGKDSA-N 0 0 323.389 0.453 50 0 DCAARN O=C(CCCn1cncn1)NCCc1noc(C(F)(F)F)n1 ZINC001506407521 1017258137 /nfs/dbraw/zinc/25/81/37/1017258137.db2.gz SLPTUSUDKOCQGY-UHFFFAOYSA-N 0 0 318.259 0.819 50 0 DCAARN COc1ccc(NC(C)(C)C(=O)N2C[C@@H](CO)[C@H](CO)C2)cc1 ZINC001506412261 1017260700 /nfs/dbraw/zinc/26/07/00/1017260700.db2.gz AZOOAULIATWAPV-STQMWFEESA-N 0 0 322.405 0.945 50 0 DCAARN CN(Cc1noc(C2CC2)n1)c1nccc(N2CC[C@H](O)C2)n1 ZINC001506412353 1017260855 /nfs/dbraw/zinc/26/08/55/1017260855.db2.gz COCREFXOLOJBMA-NSHDSACASA-N 0 0 316.365 0.944 50 0 DCAARN CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001506419608 1017266908 /nfs/dbraw/zinc/26/69/08/1017266908.db2.gz GQNMFJCYFILGAJ-GFCCVEGCSA-N 0 0 321.377 0.857 50 0 DCAARN CC(C)n1cnnc1CNC(=O)CCC(=O)Nc1nncs1 ZINC001506429583 1017271584 /nfs/dbraw/zinc/27/15/84/1017271584.db2.gz UUPQDWUCRJDSHB-UHFFFAOYSA-N 0 0 323.382 0.746 50 0 DCAARN O=C(CCc1nnc2ccccn2c1=O)NCc1cccnc1 ZINC000095479347 185373511 /nfs/dbraw/zinc/37/35/11/185373511.db2.gz IYOPFXRVNLTKPI-UHFFFAOYSA-N 0 0 309.329 0.734 50 0 DCAARN O=C(CN1CCCCC1=O)N1CCCO[C@H](Cn2cccn2)C1 ZINC000095497517 185374530 /nfs/dbraw/zinc/37/45/30/185374530.db2.gz ATMKIKGFPMHAAR-AWEZNQCLSA-N 0 0 320.393 0.513 50 0 DCAARN CCN(Cc1noc(C)n1)C(=O)Cn1cccc(OC)c1=O ZINC000095530859 185378834 /nfs/dbraw/zinc/37/88/34/185378834.db2.gz DIPXCGQUHRZWQI-UHFFFAOYSA-N 0 0 306.322 0.597 50 0 DCAARN Cc1cc(C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)on1 ZINC000078900591 185125395 /nfs/dbraw/zinc/12/53/95/185125395.db2.gz AEFHOTPKCWFJPZ-SECBINFHSA-N 0 0 303.322 0.825 50 0 DCAARN CSC[C@H](C)C(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000079310571 185164622 /nfs/dbraw/zinc/16/46/22/185164622.db2.gz WBXAEXVNXDHOQU-NSHDSACASA-N 0 0 306.497 0.945 50 0 DCAARN O=C(Cn1nc2c(cc1=O)CCCC2)NCCc1ccccn1 ZINC000079475763 185173022 /nfs/dbraw/zinc/17/30/22/185173022.db2.gz YUWZBRWBQDCLGU-UHFFFAOYSA-N 0 0 312.373 0.876 50 0 DCAARN O=C1N=c2ccccc2=C1NNC(=S)NCCc1ccccc1 ZINC000087711578 185231035 /nfs/dbraw/zinc/23/10/35/185231035.db2.gz UWFBUTPZXYFFBE-UHFFFAOYSA-N 0 0 324.409 0.166 50 0 DCAARN Cc1nccn1-c1ncccc1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000057222135 282200983 /nfs/dbraw/zinc/20/09/83/282200983.db2.gz LUKZWUYNWNJUEG-LLVKDONJSA-N 0 0 320.374 0.949 50 0 DCAARN COC(=O)[C@H]1c2ccsc2CCN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000090608635 185306402 /nfs/dbraw/zinc/30/64/02/185306402.db2.gz DWRPOCQSRLDXIZ-NOZJJQNGSA-N 0 0 322.386 0.825 50 0 DCAARN O=C(Nc1ccc(-n2cnnn2)cc1)c1cc2n(n1)CCCO2 ZINC000090626499 185307152 /nfs/dbraw/zinc/30/71/52/185307152.db2.gz HCUBRKLEYNHQNG-UHFFFAOYSA-N 0 0 311.305 0.894 50 0 DCAARN COc1ccccc1N1CCN(C(=O)C2(C(N)=O)CC2)CC1=O ZINC000082114697 192357536 /nfs/dbraw/zinc/35/75/36/192357536.db2.gz YQSXIMGJHQBJIU-UHFFFAOYSA-N 0 0 317.345 0.136 50 0 DCAARN COC(=O)N[C@@H](C)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000082120121 192358089 /nfs/dbraw/zinc/35/80/89/192358089.db2.gz GGJZIBZHMIJNRV-NSHDSACASA-N 0 0 305.334 0.606 50 0 DCAARN CCN(C(=O)c1cnn2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000082109020 192358098 /nfs/dbraw/zinc/35/80/98/192358098.db2.gz OQERXHJMRVNOIJ-LLVKDONJSA-N 0 0 307.375 0.984 50 0 DCAARN CC(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000082127130 192359023 /nfs/dbraw/zinc/35/90/23/192359023.db2.gz FJBUJTNBEYCKSH-CQSZACIVSA-N 0 0 318.377 0.555 50 0 DCAARN C[C@@H](O)CN1CC2=C(C1=O)[C@H](c1ccc(F)cc1)NC(=O)N2 ZINC000012345869 190635792 /nfs/dbraw/zinc/63/57/92/190635792.db2.gz CRWYIKADYNRFIW-OQPBUACISA-N 0 0 305.309 0.657 50 0 DCAARN Cc1nnc(CCNC(=O)[C@H](C)n2c3ccccc3oc2=O)[nH]1 ZINC000095389609 185351083 /nfs/dbraw/zinc/35/10/83/185351083.db2.gz LWUXQPHKDMZXMP-VIFPVBQESA-N 0 0 315.333 0.941 50 0 DCAARN CC(=O)N1CCC[C@H]1C(=O)Nc1nc(N2CCCCC2)n[nH]1 ZINC000095394872 185352323 /nfs/dbraw/zinc/35/23/23/185352323.db2.gz LAAXBKAGXJRIDZ-NSHDSACASA-N 0 0 306.370 0.744 50 0 DCAARN CC(C)NC(=O)N1CCN([C@@H](C)C(=O)Nc2ncccn2)CC1 ZINC000095396598 185352918 /nfs/dbraw/zinc/35/29/18/185352918.db2.gz CFELIOZQWZKUGZ-LBPRGKRZSA-N 0 0 320.397 0.539 50 0 DCAARN COCCCS(=O)(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000095407130 185356108 /nfs/dbraw/zinc/35/61/08/185356108.db2.gz AYFIKNSFKJDNDY-UHFFFAOYSA-N 0 0 314.407 0.881 50 0 DCAARN CC(C)[C@@H]1CN(c2ncnc3c2CCC3)C[C@H]1NS(C)(=O)=O ZINC000082147525 192362360 /nfs/dbraw/zinc/36/23/60/192362360.db2.gz XZLXHZGXGADHHH-GXTWGEPZSA-N 0 0 324.450 0.975 50 0 DCAARN CS(=O)(=O)NCCN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000095435455 185364589 /nfs/dbraw/zinc/36/45/89/185364589.db2.gz OZJAWJUCVJCOTJ-HNNXBMFYSA-N 0 0 310.419 0.710 50 0 DCAARN COC(=O)N(C)CC(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000095435076 185364774 /nfs/dbraw/zinc/36/47/74/185364774.db2.gz IPHLLDSICAIIQR-AAEUAGOBSA-N 0 0 323.393 0.687 50 0 DCAARN CC(=O)N1CCOC[C@H]1C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000095440939 185366258 /nfs/dbraw/zinc/36/62/58/185366258.db2.gz WWHAOSXDHQJDHS-KGLIPLIRSA-N 0 0 304.346 0.354 50 0 DCAARN COC(=O)CN1CCCN(C(=O)Nc2c(C)n[nH]c2C)CC1 ZINC000097013822 185397369 /nfs/dbraw/zinc/39/73/69/185397369.db2.gz QLOIGCRREXSEJN-UHFFFAOYSA-N 0 0 309.370 0.739 50 0 DCAARN CC(=O)N1CC(C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000097105283 185410222 /nfs/dbraw/zinc/41/02/22/185410222.db2.gz QTEISZOEJDGIMU-SECBINFHSA-N 0 0 317.345 0.673 50 0 DCAARN C[C@H](Nc1ccn(CC(F)(F)F)n1)C(=O)N1CCNC1=O ZINC000097148548 185416174 /nfs/dbraw/zinc/41/61/74/185416174.db2.gz INEBXHSUNIVWEF-ZETCQYMHSA-N 0 0 305.260 0.798 50 0 DCAARN CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)COC)C2)ccn1 ZINC000328591838 529932380 /nfs/dbraw/zinc/93/23/80/529932380.db2.gz SWYROESGKQRUNZ-GFCCVEGCSA-N 0 0 307.350 0.457 50 0 DCAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCCOC[C@H]2CCOC2)C1 ZINC000107049581 185467372 /nfs/dbraw/zinc/46/73/72/185467372.db2.gz WVWXRWUEQHURLH-MCIONIFRSA-N 0 0 320.455 0.852 50 0 DCAARN Cc1nnc2n1C[C@@H](NC(=O)c1cn(-c3ccccc3)nn1)CC2 ZINC000065577981 282357350 /nfs/dbraw/zinc/35/73/50/282357350.db2.gz HBLZHEQPWXPNFZ-LBPRGKRZSA-N 0 0 323.360 0.912 50 0 DCAARN Nc1nnc(SCC(=O)NCc2nnc3n2CCC3)s1 ZINC000063868148 190701020 /nfs/dbraw/zinc/70/10/20/190701020.db2.gz WYAOKUCSBRJXNX-UHFFFAOYSA-N 0 0 311.396 0.067 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1ncon1 ZINC000108151783 185503305 /nfs/dbraw/zinc/50/33/05/185503305.db2.gz MPLWXWQOIQKDCX-ZJUUUORDSA-N 0 0 316.383 0.451 50 0 DCAARN C[C@H](C(=O)N1CCO[C@H](CO)C1)n1nnc(-c2ccccc2)n1 ZINC000083927554 192390084 /nfs/dbraw/zinc/39/00/84/192390084.db2.gz YPKNYCKLOJWSBR-YPMHNXCESA-N 0 0 317.349 0.121 50 0 DCAARN COC(=O)c1ncn(CC(=O)NC[C@H]2Cc3ccccc3O2)n1 ZINC000083897580 192390369 /nfs/dbraw/zinc/39/03/69/192390369.db2.gz HKJVBVTYPRNJDQ-LLVKDONJSA-N 0 0 316.317 0.185 50 0 DCAARN Cc1cccc(S(=O)(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)c1 ZINC000083998247 192394820 /nfs/dbraw/zinc/39/48/20/192394820.db2.gz DRFLGMKGGKTJDW-LBPRGKRZSA-N 0 0 310.375 0.809 50 0 DCAARN Cn1nnnc1SCCNC(=O)[C@@H]1Cc2ccccc2N1 ZINC000071589703 190991780 /nfs/dbraw/zinc/99/17/80/190991780.db2.gz BEWQKLUGMSZMML-NSHDSACASA-N 0 0 304.379 0.455 50 0 DCAARN CN(CCC(=O)N(C)C1Cc2ccccc2C1)S(C)(=O)=O ZINC000071754126 191025012 /nfs/dbraw/zinc/02/50/12/191025012.db2.gz FWNGZHLHMSAWPN-UHFFFAOYSA-N 0 0 310.419 0.894 50 0 DCAARN O=C(Cn1cnnn1)Nc1cccn(Cc2ccccc2)c1=O ZINC000084544781 192440482 /nfs/dbraw/zinc/44/04/82/192440482.db2.gz QRJHKYHTRAZVTD-UHFFFAOYSA-N 0 0 310.317 0.522 50 0 DCAARN CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 ZINC000072117371 191038531 /nfs/dbraw/zinc/03/85/31/191038531.db2.gz MTASDIQJRTWQMT-UHFFFAOYSA-N 0 0 305.444 0.810 50 0 DCAARN CCNC(=O)CN1CCN(Cc2cnc(SC)nc2)CC1 ZINC000072126395 191042159 /nfs/dbraw/zinc/04/21/59/191042159.db2.gz FLUNXQFJWIZTJV-UHFFFAOYSA-N 0 0 309.439 0.452 50 0 DCAARN CC(C)Cc1noc(CN(C)C(=O)c2cn3c(n2)CNCC3)n1 ZINC000072161824 191062733 /nfs/dbraw/zinc/06/27/33/191062733.db2.gz WGOGZCFASORFOU-UHFFFAOYSA-N 0 0 318.381 0.840 50 0 DCAARN Cc1onc(N)c1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000072240900 191084559 /nfs/dbraw/zinc/08/45/59/191084559.db2.gz VNVVVALXXYCHMF-UHFFFAOYSA-N 0 0 311.319 0.772 50 0 DCAARN OC[C@H]1CCCN1c1cc(NCCN2CCOCC2)ncn1 ZINC000072275968 191097101 /nfs/dbraw/zinc/09/71/01/191097101.db2.gz RVDHQUAJQVMYKP-CYBMUJFWSA-N 0 0 307.398 0.182 50 0 DCAARN O=C(CS(=O)(=O)C1CCCC1)N[C@H]1CCc2nccn2C1 ZINC000072278631 191100566 /nfs/dbraw/zinc/10/05/66/191100566.db2.gz MYFGNCCLOLHDGQ-NSHDSACASA-N 0 0 311.407 0.672 50 0 DCAARN COc1c(C(=O)N2CCC[C@H](n3cncn3)C2)c(C)nn1C ZINC000072281086 191101363 /nfs/dbraw/zinc/10/13/63/191101363.db2.gz YGHNDULTPGYAPG-NSHDSACASA-N 0 0 304.354 0.806 50 0 DCAARN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000179688034 186205594 /nfs/dbraw/zinc/20/55/94/186205594.db2.gz BVZSWJQRSPJZQK-JTQLQIEISA-N 0 0 304.755 0.215 50 0 DCAARN CS(=O)(=O)CCS(=O)(=O)N1CCc2ccccc2C1 ZINC000072296298 191111690 /nfs/dbraw/zinc/11/16/90/191111690.db2.gz INQOACUHZRAZPO-UHFFFAOYSA-N 0 0 303.405 0.419 50 0 DCAARN CC(=O)NCCNC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189950229 186254139 /nfs/dbraw/zinc/25/41/39/186254139.db2.gz KVGQWRXXFTZSIO-UHFFFAOYSA-N 0 0 320.397 0.255 50 0 DCAARN Cn1ccnc1S(=O)(=O)C1CN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000225678118 186288757 /nfs/dbraw/zinc/28/87/57/186288757.db2.gz PCAYRTMYEWWJHJ-LLVKDONJSA-N 0 0 309.391 0.761 50 0 DCAARN C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000253414361 186310376 /nfs/dbraw/zinc/31/03/76/186310376.db2.gz XFZHTWDRWCEXRB-VHSXEESVSA-N 0 0 302.334 0.413 50 0 DCAARN CS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2COc3ccccc32)C1 ZINC000253394991 186303954 /nfs/dbraw/zinc/30/39/54/186303954.db2.gz RXSHQLIMLOSTRK-PWSUYJOCSA-N 0 0 310.375 0.949 50 0 DCAARN Cn1nc(C(=O)N[C@H](Cn2nccn2)c2ccccc2)ccc1=O ZINC000253400522 186306764 /nfs/dbraw/zinc/30/67/64/186306764.db2.gz LHTSZGMIIUYAGR-CQSZACIVSA-N 0 0 324.344 0.543 50 0 DCAARN CC(C)OC(=O)[C@H](C)CNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC000253404752 186307547 /nfs/dbraw/zinc/30/75/47/186307547.db2.gz RCYRPXABTPLPID-NXEZZACHSA-N 0 0 301.387 0.773 50 0 DCAARN O=C(c1cn(-c2ccc(F)cc2)nn1)N1CCCS1(=O)=O ZINC000072313372 191119992 /nfs/dbraw/zinc/11/99/92/191119992.db2.gz QXRLWRUUOIPGEH-UHFFFAOYSA-N 0 0 310.310 0.582 50 0 DCAARN COC(=O)C[C@@H](c1ccc[nH]c1=O)c1c(O)cc(C)[nH]c1=O ZINC000072403179 191150479 /nfs/dbraw/zinc/15/04/79/191150479.db2.gz QVMFHXALSLRLQB-JTQLQIEISA-N 0 0 304.302 0.772 50 0 DCAARN COc1ccc2nnc(CCCC(=O)NC[C@H]3CCCO3)n2n1 ZINC000072404262 191152531 /nfs/dbraw/zinc/15/25/31/191152531.db2.gz MMNNRKFQHADNEZ-LLVKDONJSA-N 0 0 319.365 0.751 50 0 DCAARN CC(C)(O)CCc1ccc(C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 ZINC000072410133 191154068 /nfs/dbraw/zinc/15/40/68/191154068.db2.gz PMSYUTWFRRDOHS-CQSZACIVSA-N 0 0 320.389 0.716 50 0 DCAARN COc1ccc2nnc(CCCC(=O)N3CCOCC3)n2n1 ZINC000072405282 191152196 /nfs/dbraw/zinc/15/21/96/191152196.db2.gz UMSHDBIIFFWLRX-UHFFFAOYSA-N 0 0 305.338 0.314 50 0 DCAARN COc1cccc(OC[C@H]2CCCN(C(=O)CNC(N)=O)C2)c1 ZINC000072481081 191181120 /nfs/dbraw/zinc/18/11/20/191181120.db2.gz WROQUXPTGDAREH-LBPRGKRZSA-N 0 0 321.377 0.981 50 0 DCAARN CC1(C)C(=O)NCCN1C(=O)CN1CCc2sccc2C1 ZINC000084668197 545703101 /nfs/dbraw/zinc/70/31/01/545703101.db2.gz NSSMNHCBHUNPRO-UHFFFAOYSA-N 0 0 307.419 0.843 50 0 DCAARN COC[C@@H](C)NC(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000002917018 180970073 /nfs/dbraw/zinc/97/00/73/180970073.db2.gz NPQMWTRBPXAKRZ-SNVBAGLBSA-N 0 0 314.345 0.951 50 0 DCAARN C[C@H](O)C(=O)N1CCN(C(=O)N[C@@H](C2CC2)C(F)(F)F)CC1 ZINC000332112612 234515217 /nfs/dbraw/zinc/51/52/17/234515217.db2.gz FOQWWHZORKPYQU-WPRPVWTQSA-N 0 0 323.315 0.562 50 0 DCAARN CCCCO[C@@H]1O[C@H](CO)[C@@H](OC)[C@H](OC)[C@H]1NC(C)=O ZINC000004027454 181064289 /nfs/dbraw/zinc/06/42/89/181064289.db2.gz DJNMJQSJOBIZTO-DHGKCCLASA-N 0 0 305.371 0.055 50 0 biogenic DCAARN CCOC(=O)N1CCN(C(=O)CSc2nncn2C)CC1 ZINC000004263040 181089352 /nfs/dbraw/zinc/08/93/52/181089352.db2.gz QTQMNXSINRNNIF-UHFFFAOYSA-N 0 0 313.383 0.208 50 0 DCAARN CCOc1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1 ZINC000004270285 181090232 /nfs/dbraw/zinc/09/02/32/181090232.db2.gz ZKMCEJNDDPWLBY-UHFFFAOYSA-N 0 0 311.319 0.675 50 0 DCAARN Cc1cccc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000004338440 181100003 /nfs/dbraw/zinc/10/00/03/181100003.db2.gz XMJURYCLLKRWMO-UHFFFAOYSA-N 0 0 310.331 0.160 50 0 DCAARN COc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000004504485 181117033 /nfs/dbraw/zinc/11/70/33/181117033.db2.gz DQSOVEJLYXZANX-JTQLQIEISA-N 0 0 313.375 0.963 50 0 DCAARN O=C(NCc1ccco1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000004552610 181124044 /nfs/dbraw/zinc/12/40/44/181124044.db2.gz DBOUSMQROIIFLO-GFCCVEGCSA-N 0 0 316.313 0.852 50 0 DCAARN COc1ccccc1NC(=O)C(=O)NCCCN1CCCC1=O ZINC000004583765 181127260 /nfs/dbraw/zinc/12/72/60/181127260.db2.gz WDRXKSNAPZONIB-UHFFFAOYSA-N 0 0 319.361 0.762 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCCOC)C1 ZINC000004712119 181141258 /nfs/dbraw/zinc/14/12/58/181141258.db2.gz SQPBWPULIBOYQU-LBPRGKRZSA-N 0 0 306.428 0.591 50 0 DCAARN CCNS(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2 ZINC000004941044 181176533 /nfs/dbraw/zinc/17/65/33/181176533.db2.gz SEKWJMYXSCBDSJ-UHFFFAOYSA-N 0 0 300.336 0.084 50 0 DCAARN Cn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O ZINC000005000069 181188237 /nfs/dbraw/zinc/18/82/37/181188237.db2.gz LETYVCABBYWRIC-UHFFFAOYSA-N 0 0 301.346 0.759 50 0 DCAARN CCCNC(=O)NC(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000005036340 181194384 /nfs/dbraw/zinc/19/43/84/181194384.db2.gz GPTFKMPQSBTPCV-UHFFFAOYSA-N 0 0 302.338 0.884 50 0 DCAARN COc1ccc(CNC(=O)Cn2ncn3cccc3c2=O)cc1 ZINC000005135766 181207735 /nfs/dbraw/zinc/20/77/35/181207735.db2.gz JNGFAZVIVURUQR-UHFFFAOYSA-N 0 0 312.329 0.821 50 0 DCAARN COC(=O)[C@@H](NC(=O)[C@@H]1CSC(C)(C)N1C=O)C(C)C ZINC000005381454 181237395 /nfs/dbraw/zinc/23/73/95/181237395.db2.gz REFMFAGRJQJXGJ-UWVGGRQHSA-N 0 0 302.396 0.610 50 0 biogenic DCAARN CNC(=O)NC(=O)CSc1nnnn1-c1ccc(C)c(C)c1 ZINC000005392224 181238707 /nfs/dbraw/zinc/23/87/07/181238707.db2.gz FYLIESZGPNOQRW-UHFFFAOYSA-N 0 0 320.378 0.827 50 0 DCAARN COC(=O)[C@@H](NC(=O)N1CCC(C(=O)OC)CC1)C(C)C ZINC000005301880 181227903 /nfs/dbraw/zinc/22/79/03/181227903.db2.gz GNORATCTGMHAGD-NSHDSACASA-N 0 0 300.355 0.779 50 0 DCAARN CCNC(=O)NC(=O)CSc1nnnn1-c1ccccc1C ZINC000005352828 181233715 /nfs/dbraw/zinc/23/37/15/181233715.db2.gz FAUVSBUAULITGX-UHFFFAOYSA-N 0 0 320.378 0.909 50 0 DCAARN COC(=O)CNC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000004029749 291089457 /nfs/dbraw/zinc/08/94/57/291089457.db2.gz WAUNCKRTTQLCCN-MNOVXSKESA-N 0 0 305.334 0.150 50 0 biogenic DCAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(N)=O ZINC000005704226 181274651 /nfs/dbraw/zinc/27/46/51/181274651.db2.gz QSUAGYZOGSQMPZ-VIFPVBQESA-N 0 0 315.420 0.832 50 0 DCAARN O=C(COC(=O)c1cc[n+]([O-])cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000007983016 236848392 /nfs/dbraw/zinc/84/83/92/236848392.db2.gz XWYSRSFTKQXCIS-UHFFFAOYSA-N 0 0 313.269 0.529 50 0 DCAARN Cc1cc(CNC(=O)N2CCN(c3ncccn3)CC2)no1 ZINC000426651976 240354215 /nfs/dbraw/zinc/35/42/15/240354215.db2.gz HKKGLGUZROJQSW-UHFFFAOYSA-N 0 0 302.338 0.805 50 0 DCAARN O=c1onc(-c2ncccn2)n1Cc1cnn(-c2ccccc2)n1 ZINC000089857657 192887370 /nfs/dbraw/zinc/88/73/70/192887370.db2.gz DYNYQQFOYNPVJZ-UHFFFAOYSA-N 0 0 321.300 0.922 50 0 DCAARN CCC(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000006011086 181306186 /nfs/dbraw/zinc/30/61/86/181306186.db2.gz OSLFTOPVFNQHTF-QMMMGPOBSA-N 0 0 300.336 0.614 50 0 DCAARN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NC(N)=O)CC2=O)cc1 ZINC000006081633 181311501 /nfs/dbraw/zinc/31/15/01/181311501.db2.gz XRCGDVIQROFWFR-JTQLQIEISA-N 0 0 319.317 0.086 50 0 DCAARN COc1ccc([C@@H](CNS(C)(=O)=O)N(C)C)cc1OC ZINC000006086179 181311533 /nfs/dbraw/zinc/31/15/33/181311533.db2.gz YQHNEULDFJZDAQ-LLVKDONJSA-N 0 0 302.396 0.856 50 0 DCAARN CSc1cccc(N2C[C@H](C(=O)OCC(N)=O)CC2=O)c1 ZINC000006123698 181314581 /nfs/dbraw/zinc/31/45/81/181314581.db2.gz QXVQCWQYVHITPB-SECBINFHSA-N 0 0 308.359 0.790 50 0 DCAARN CCS(=O)(=O)NCCNC(=O)c1cnc(CC(C)C)[nH]1 ZINC000408513677 239270722 /nfs/dbraw/zinc/27/07/22/239270722.db2.gz SBXUEFIQHXTYMD-UHFFFAOYSA-N 0 0 302.400 0.277 50 0 DCAARN CN(C(=O)Cn1nnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000006652564 181366073 /nfs/dbraw/zinc/36/60/73/181366073.db2.gz QIFLXNOUYDVVDK-SNVBAGLBSA-N 0 0 308.363 0.077 50 0 DCAARN COCCNC(=O)Cn1c(=O)c2cccn2c2cccnc21 ZINC000006797212 181390590 /nfs/dbraw/zinc/39/05/90/181390590.db2.gz FPLBYDHEVBVSKT-UHFFFAOYSA-N 0 0 300.318 0.412 50 0 DCAARN CCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000006800629 181390894 /nfs/dbraw/zinc/39/08/94/181390894.db2.gz NVFQVYXNHSTVLH-UHFFFAOYSA-N 0 0 302.352 0.223 50 0 DCAARN CC[C@H](C(=O)NC1CCN(S(C)(=O)=O)CC1)n1cccn1 ZINC000091289499 193032103 /nfs/dbraw/zinc/03/21/03/193032103.db2.gz NWYPAIIEMMTHDI-GFCCVEGCSA-N 0 0 314.411 0.374 50 0 DCAARN O=C1CN(Cc2ncnn2-c2ccc(F)c(Cl)c2)CCN1 ZINC000091391139 193049645 /nfs/dbraw/zinc/04/96/45/193049645.db2.gz OFRACSQAXQZDCT-UHFFFAOYSA-N 0 0 309.732 0.992 50 0 DCAARN CC(C)[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)C1CCOCC1 ZINC000091411203 193052556 /nfs/dbraw/zinc/05/25/56/193052556.db2.gz SPHUUSQPUJPZNK-OLZOCXBDSA-N 0 0 318.439 0.445 50 0 DCAARN COc1cnc(N2C[C@H](CO)C[C@H](CN3CCOCC3)C2)nc1 ZINC000091593799 193076950 /nfs/dbraw/zinc/07/69/50/193076950.db2.gz MNRHGZMXQUYSTB-ZIAGYGMSSA-N 0 0 322.409 0.252 50 0 DCAARN O=c1ccn(CCc2ncnn2CCc2ccccc2)c(=O)[nH]1 ZINC000091486827 193062878 /nfs/dbraw/zinc/06/28/78/193062878.db2.gz QGUGQCYZNRIZQS-UHFFFAOYSA-N 0 0 311.345 0.614 50 0 DCAARN O=C(c1cn2ccsc2n1)N1Cc2cnn(CCO)c2C1 ZINC000091656710 193086296 /nfs/dbraw/zinc/08/62/96/193086296.db2.gz CMJASTHTLHJWRZ-UHFFFAOYSA-N 0 0 303.347 0.741 50 0 DCAARN CN(Cc1n[nH]c2c1CCCC2)C(=O)CCc1[nH]c(O)nc1O ZINC000091663453 193086922 /nfs/dbraw/zinc/08/69/22/193086922.db2.gz PPMSPCLLWNIJHO-NSHDSACASA-N 0 0 319.365 0.235 50 0 DCAARN CN(CC(=O)N1CC[C@@]2(C1)CCCNC2=O)Cc1cccnc1 ZINC000091664120 193087146 /nfs/dbraw/zinc/08/71/46/193087146.db2.gz YVSKFWDEWATLOO-QGZVFWFLSA-N 0 0 316.405 0.642 50 0 DCAARN COCCn1ccnc1C1CCN(S(=O)(=O)N(C)C)CC1 ZINC000091707880 193095377 /nfs/dbraw/zinc/09/53/77/193095377.db2.gz SSKCKLXOKIJULO-UHFFFAOYSA-N 0 0 316.427 0.515 50 0 DCAARN CCCNc1ncc(CN2CCN(C(C)=O)C[C@@H](O)C2)cn1 ZINC000091770306 193104405 /nfs/dbraw/zinc/10/44/05/193104405.db2.gz DRTOWZMDIMRTRQ-AWEZNQCLSA-N 0 0 307.398 0.324 50 0 DCAARN COCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cccnc1)C2 ZINC000091877066 193122145 /nfs/dbraw/zinc/12/21/45/193122145.db2.gz OEMDZIPVCUBBQN-GXTWGEPZSA-N 0 0 303.362 0.791 50 0 DCAARN COc1ccc2c(c1)OC[C@H](C(=O)NCCN1CCNC1=O)C2 ZINC000092045825 193147413 /nfs/dbraw/zinc/14/74/13/193147413.db2.gz GKEUPPJFDQBXFD-GFCCVEGCSA-N 0 0 319.361 0.388 50 0 DCAARN COc1ccccc1CN1C[C@H](C(=O)NCC(N)=O)CCC1=O ZINC000092045713 193147625 /nfs/dbraw/zinc/14/76/25/193147625.db2.gz JIWIAQLHRKEZAP-GFCCVEGCSA-N 0 0 319.361 0.035 50 0 DCAARN O=C(NCCSc1c[nH]nn1)c1ccc2c(c1)NC(=O)CN2 ZINC000215168557 201453470 /nfs/dbraw/zinc/45/34/70/201453470.db2.gz GHBGRRVYCCRNKD-UHFFFAOYSA-N 0 0 318.362 0.691 50 0 DCAARN COCCC[C@@]1(CO)CCCN(C(=O)CN2CCCC2=O)C1 ZINC000092098047 193157573 /nfs/dbraw/zinc/15/75/73/193157573.db2.gz XIEMBCXMKYCRKH-INIZCTEOSA-N 0 0 312.410 0.637 50 0 DCAARN O=C(CCN1CCOCS1(=O)=O)N1CCCc2ccccc21 ZINC000092107513 193160066 /nfs/dbraw/zinc/16/00/66/193160066.db2.gz LBZDYRIJMRTSPX-UHFFFAOYSA-N 0 0 324.402 0.975 50 0 DCAARN Cc1ncccc1C(=O)N[C@@H]1CCOC[C@H]1OCC(=O)N(C)C ZINC000223488954 201646916 /nfs/dbraw/zinc/64/69/16/201646916.db2.gz AFVRCMQLPVLWJO-ZIAGYGMSSA-N 0 0 321.377 0.382 50 0 DCAARN COC(=O)[C@@H]1C(=O)CCN(Cc2ccccc2)[C@@H]1C(=O)OC ZINC000261508021 203074133 /nfs/dbraw/zinc/07/41/33/203074133.db2.gz OYUQDMYUAQYUDR-KGLIPLIRSA-N 0 0 305.330 0.792 50 0 DCAARN O=C(NC1CCOCC1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000095352757 193427229 /nfs/dbraw/zinc/42/72/29/193427229.db2.gz LGTBNVCJBPMBCB-CYBMUJFWSA-N 0 0 303.362 0.725 50 0 DCAARN COCC(=O)N1CCC(C(=O)NCc2cnc(C)cn2)CC1 ZINC000095361892 193431755 /nfs/dbraw/zinc/43/17/55/193431755.db2.gz CBQUFNHIDCSBAU-UHFFFAOYSA-N 0 0 306.366 0.286 50 0 DCAARN Cn1cccc1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 ZINC000007772116 181493930 /nfs/dbraw/zinc/49/39/30/181493930.db2.gz SOLFWXGUFSPNDN-UHFFFAOYSA-N 0 0 324.358 0.908 50 0 DCAARN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1nccn1C ZINC000095962034 193460969 /nfs/dbraw/zinc/46/09/69/193460969.db2.gz XKWNSEQUVLECET-HNNXBMFYSA-N 0 0 313.361 0.757 50 0 DCAARN COCCN1CCN(C(=O)c2cnc(NC(C)C)nc2)CC1 ZINC000096152681 193554404 /nfs/dbraw/zinc/55/44/04/193554404.db2.gz HQTSVTLCXQPETA-UHFFFAOYSA-N 0 0 307.398 0.701 50 0 DCAARN CCc1nc(CN2CCN(C(=O)c3c[nH]c(C)n3)CC2)no1 ZINC000096413347 193626470 /nfs/dbraw/zinc/62/64/70/193626470.db2.gz CIOPTMPFWSAJDR-UHFFFAOYSA-N 0 0 304.354 0.622 50 0 DCAARN NC(=O)[C@H]1CCCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)C1 ZINC000008013199 181518070 /nfs/dbraw/zinc/51/80/70/181518070.db2.gz YPQDCKHIRAGVRM-JTQLQIEISA-N 0 0 314.345 0.190 50 0 DCAARN CCS(=O)(=O)NCCn1c(=O)onc1-c1cccs1 ZINC000096494616 193671476 /nfs/dbraw/zinc/67/14/76/193671476.db2.gz QYVVEVUVMOSEOX-UHFFFAOYSA-N 0 0 303.365 0.504 50 0 DCAARN COC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)CN(C)C2=O)c1C ZINC000009953507 181649726 /nfs/dbraw/zinc/64/97/26/181649726.db2.gz FIMCYPGONPKLKI-UHFFFAOYSA-N 0 0 307.306 0.495 50 0 DCAARN O=C(C[C@@H]1CSc2nccc(=O)n21)NCc1cccnc1 ZINC000012666835 181787059 /nfs/dbraw/zinc/78/70/59/181787059.db2.gz CWEWCUZFGHHZBE-LLVKDONJSA-N 0 0 302.359 0.992 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(Br)cc1 ZINC000012983208 181818313 /nfs/dbraw/zinc/81/83/13/181818313.db2.gz VFSRMKJEVRHOBN-UHFFFAOYSA-N 0 0 324.134 0.938 50 0 DCAARN COc1ccc(OC)c(NC(=O)Cn2ccc(=O)[nH]c2=O)c1 ZINC000012949210 181815321 /nfs/dbraw/zinc/81/53/21/181815321.db2.gz LQAOIOHEWWOYCV-UHFFFAOYSA-N 0 0 305.290 0.193 50 0 DCAARN CC(C)CCNC(=O)NC(=O)COC(=O)c1ccc[nH]c1=O ZINC000016045586 182030605 /nfs/dbraw/zinc/03/06/05/182030605.db2.gz IYUHCOMOIMUHHY-UHFFFAOYSA-N 0 0 309.322 0.404 50 0 DCAARN C[C@@H]1CN(C(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)C[C@H](C)O1 ZINC000016047541 182030874 /nfs/dbraw/zinc/03/08/74/182030874.db2.gz BWASVLGGYDPHQL-OCAPTIKFSA-N 0 0 323.378 0.786 50 0 DCAARN NC(=O)c1ccc(COC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000016551138 182049192 /nfs/dbraw/zinc/04/91/92/182049192.db2.gz AVFNKGFAAOXBLA-LLVKDONJSA-N 0 0 311.359 0.654 50 0 DCAARN CCCCS(=O)(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C ZINC000016849958 182061898 /nfs/dbraw/zinc/06/18/98/182061898.db2.gz PXYABFGVVNFHAB-UHFFFAOYSA-N 0 0 317.411 0.475 50 0 DCAARN CNC(=O)c1nn(-c2ccc(OC)cc2)s/c1=N\C(C)=O ZINC000016948760 182065674 /nfs/dbraw/zinc/06/56/74/182065674.db2.gz MGKJUYYNAJORSW-SQFISAMPSA-N 0 0 306.347 0.749 50 0 DCAARN CCCC(=O)n1nc(C)c(S(=O)(=O)N2CCOCC2)c1C ZINC000017269681 182081070 /nfs/dbraw/zinc/08/10/70/182081070.db2.gz VIQAUTMFXYXILI-UHFFFAOYSA-N 0 0 315.395 0.961 50 0 DCAARN CCOC(=O)C1=C(COC(=O)c2ccccc2)NC(=O)NC1 ZINC000018323143 182101173 /nfs/dbraw/zinc/10/11/73/182101173.db2.gz YCXYAWOMVIPHRY-UHFFFAOYSA-N 0 0 304.302 0.973 50 0 DCAARN CCN1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000018219757 182099694 /nfs/dbraw/zinc/09/96/94/182099694.db2.gz RHCRDTXFPKAQMJ-UHFFFAOYSA-N 0 0 311.407 0.836 50 0 DCAARN Cn1ccnc1C(=O)N1CCC[C@@H](Cn2cc(CO)nn2)C1 ZINC000019742389 182142145 /nfs/dbraw/zinc/14/21/45/182142145.db2.gz NXCSPVKJTKWLPK-LLVKDONJSA-N 0 0 304.354 0.056 50 0 DCAARN O=C(NCCCN1CCOCC1)C(=O)Nc1cccc(F)c1 ZINC000019782372 182148575 /nfs/dbraw/zinc/14/85/75/182148575.db2.gz DCRGSSKVUCQFQT-UHFFFAOYSA-N 0 0 309.341 0.603 50 0 DCAARN C[C@@H](NC(=O)C(=O)NCCN1CCOCC1)c1ccccc1 ZINC000019805127 182152217 /nfs/dbraw/zinc/15/22/17/182152217.db2.gz AVGACXXGDIDLMM-CYBMUJFWSA-N 0 0 305.378 0.312 50 0 DCAARN C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N(C)C ZINC000007085707 296204710 /nfs/dbraw/zinc/20/47/10/296204710.db2.gz MAKMDOFYTVFNFI-SNVBAGLBSA-N 0 0 318.329 0.693 50 0 DCAARN CC(C)CS(=O)(=O)CCNC(=O)c1ccc(N(C)C)nc1 ZINC000097636716 193741326 /nfs/dbraw/zinc/74/13/26/193741326.db2.gz HJBJCLZIMQQMOL-UHFFFAOYSA-N 0 0 313.423 0.948 50 0 DCAARN CCNc1nc(=O)c2ncn(C[C@H]3CC(CC)=NO3)c2c(=O)[nH]1 ZINC000020363264 182211817 /nfs/dbraw/zinc/21/18/17/182211817.db2.gz BGOZFVFWYUAGAR-SECBINFHSA-N 0 0 318.337 0.467 50 0 DCAARN CCNc1nc(=O)c2ncn(C[C@@H]3CC(CC)=NO3)c2c(=O)[nH]1 ZINC000020363262 182211958 /nfs/dbraw/zinc/21/19/58/182211958.db2.gz BGOZFVFWYUAGAR-VIFPVBQESA-N 0 0 318.337 0.467 50 0 DCAARN C[C@@H](O)CNC(=O)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000020717610 182243699 /nfs/dbraw/zinc/24/36/99/182243699.db2.gz FZWOTHWFBYQYEL-CYBMUJFWSA-N 0 0 320.389 0.348 50 0 DCAARN COc1ccc2c(ccn2CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000020733155 182244897 /nfs/dbraw/zinc/24/48/97/182244897.db2.gz IYEWPAXTWVXLPG-GFCCVEGCSA-N 0 0 322.386 0.953 50 0 DCAARN NC(=O)Cn1c2ncccc2c(=O)n(C2CCCCC2)c1=O ZINC000020861167 182250126 /nfs/dbraw/zinc/25/01/26/182250126.db2.gz ILXAMYDGNVVCBJ-UHFFFAOYSA-N 0 0 302.334 0.549 50 0 DCAARN COc1cccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000021473639 182274274 /nfs/dbraw/zinc/27/42/74/182274274.db2.gz RRFLDSYFDVBJMD-UHFFFAOYSA-N 0 0 303.318 0.509 50 0 DCAARN CCc1ccc(-n2nc(CO)c(C(=O)NC[C@H](C)O)n2)cc1 ZINC000021173032 182268599 /nfs/dbraw/zinc/26/85/99/182268599.db2.gz MHKBMWBNPDTEFI-JTQLQIEISA-N 0 0 304.350 0.433 50 0 DCAARN CS(=O)(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000021324958 182272096 /nfs/dbraw/zinc/27/20/96/182272096.db2.gz ZDMSPHHFELOGIT-UHFFFAOYSA-N 0 0 320.418 0.950 50 0 DCAARN COc1ccccc1C1=NO[C@@H](C(=O)N2CCN(C)CC2)C1 ZINC000021778839 182288338 /nfs/dbraw/zinc/28/83/38/182288338.db2.gz NBSSCKBILKSZMN-OAHLLOKOSA-N 0 0 303.362 0.962 50 0 DCAARN CC(C)Nc1nc(NCCN2CCOCC2)nc2c1cnn2C ZINC000021929663 182299242 /nfs/dbraw/zinc/29/92/42/182299242.db2.gz IUSILUOTNIDPFD-UHFFFAOYSA-N 0 0 319.413 0.928 50 0 DCAARN O=C(NC[C@H](c1ccsc1)N1CCOCC1)C(=O)NC1CC1 ZINC000022766646 182334110 /nfs/dbraw/zinc/33/41/10/182334110.db2.gz CHSMRTTYRWSUQM-CYBMUJFWSA-N 0 0 323.418 0.516 50 0 DCAARN Cc1cc(O)ccc1NC(=O)C[C@@H](C(=O)[O-])[NH+]1CCN(C)CC1 ZINC000022809356 182336356 /nfs/dbraw/zinc/33/63/56/182336356.db2.gz JDCZFYARDXIQHQ-AWEZNQCLSA-N 0 0 321.377 0.730 50 0 DCAARN O=S(=O)(N1CCCCC1)N1CCN(Cc2ccccn2)CC1 ZINC000022843989 182337009 /nfs/dbraw/zinc/33/70/09/182337009.db2.gz PWBJPKGHPWKQBW-UHFFFAOYSA-N 0 0 324.450 0.930 50 0 DCAARN CC(C)Cc1nnc(NC(=O)NCCN2CCCOC2=O)[nH]1 ZINC000023191383 182352615 /nfs/dbraw/zinc/35/26/15/182352615.db2.gz FJVLIDZWYGJQGU-UHFFFAOYSA-N 0 0 310.358 0.967 50 0 DCAARN C[C@@H](C(=O)NC1CCCCC1)N1CCN(CC(=O)N(C)C)CC1 ZINC000023289383 182356705 /nfs/dbraw/zinc/35/67/05/182356705.db2.gz AXRQBILHHYCTNK-AWEZNQCLSA-N 0 0 324.469 0.530 50 0 DCAARN Cc1occc1C(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000023620075 182364771 /nfs/dbraw/zinc/36/47/71/182364771.db2.gz SZFQAAAKMPTJSA-GFCCVEGCSA-N 0 0 316.361 0.938 50 0 DCAARN CC(C)NC(=O)CN(C)C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000024342006 182378900 /nfs/dbraw/zinc/37/89/00/182378900.db2.gz INWXPLNFJGUXNH-UHFFFAOYSA-N 0 0 305.334 0.614 50 0 DCAARN CS(=O)(=O)N1CCCN(C(=O)Cc2ccsc2)CC1 ZINC000024777423 182390968 /nfs/dbraw/zinc/39/09/68/182390968.db2.gz HZFZQHGALLTEKS-UHFFFAOYSA-N 0 0 302.421 0.785 50 0 DCAARN Cc1cccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)n1 ZINC000024685888 182387499 /nfs/dbraw/zinc/38/74/99/182387499.db2.gz CSBJNVHSFKXTHO-LBPRGKRZSA-N 0 0 311.407 0.934 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)CCCc1cccs1 ZINC000025021144 182399762 /nfs/dbraw/zinc/39/97/62/182399762.db2.gz JOIFTFFQDQUUPB-LBPRGKRZSA-N 0 0 324.402 0.961 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc2c(c1)CCO2 ZINC000025031812 182399765 /nfs/dbraw/zinc/39/97/65/182399765.db2.gz GTIFOVXXGCBQPR-LBPRGKRZSA-N 0 0 318.329 0.125 50 0 DCAARN CCS(=O)(=O)N1CCC(NCC(=O)OC(C)(C)C)CC1 ZINC000098113880 193786875 /nfs/dbraw/zinc/78/68/75/193786875.db2.gz NDKUZFNQRXBRHA-UHFFFAOYSA-N 0 0 306.428 0.732 50 0 DCAARN Cc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nn1C ZINC000028575636 182530050 /nfs/dbraw/zinc/53/00/50/182530050.db2.gz XBRDQAIGNSITDZ-UHFFFAOYSA-N 0 0 302.334 0.920 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)NCc2nnc3ccccn32)CC1=O ZINC000029760686 182576648 /nfs/dbraw/zinc/57/66/48/182576648.db2.gz NMKVVUIUZCZXOJ-LBPRGKRZSA-N 0 0 315.377 0.850 50 0 DCAARN CC(=O)N[C@H](C)C(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1 ZINC000032355438 182640655 /nfs/dbraw/zinc/64/06/55/182640655.db2.gz JYFOMENEHKCXCV-SECBINFHSA-N 0 0 313.379 0.830 50 0 DCAARN Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@@H]3O)ccc12 ZINC000100685194 193803463 /nfs/dbraw/zinc/80/34/63/193803463.db2.gz CQKHENXHLAUMBH-XHMCFYFJSA-N 0 0 322.313 0.308 50 0 DCAARN CCCCN(C)C(=O)CNC1=NS(=O)(=O)c2ccccc21 ZINC000032909646 182677541 /nfs/dbraw/zinc/67/75/41/182677541.db2.gz FTSNSMBWGDOUSE-UHFFFAOYSA-N 0 0 309.391 0.984 50 0 DCAARN COCCNC(=O)c1nc(COc2ccccc2C(N)=O)no1 ZINC000036360155 182819243 /nfs/dbraw/zinc/81/92/43/182819243.db2.gz RIYYFNQLZJZTTD-UHFFFAOYSA-N 0 0 320.305 0.124 50 0 DCAARN O=C(OCc1ccccc1)N1CCC2(CC1)NC(=O)NC2=O ZINC000038819353 183010580 /nfs/dbraw/zinc/01/05/80/183010580.db2.gz HGOPYEWWZGZVJI-UHFFFAOYSA-N 0 0 303.318 0.997 50 0 DCAARN COCCN(CCOC)S(=O)(=O)NCc1ccccc1 ZINC000040061603 183030593 /nfs/dbraw/zinc/03/05/93/183030593.db2.gz ATLSQNZDFALTTK-UHFFFAOYSA-N 0 0 302.396 0.616 50 0 DCAARN CCCCn1nc(C(=O)OCC(=O)NCC(C)C)ccc1=O ZINC000039572034 183021138 /nfs/dbraw/zinc/02/11/38/183021138.db2.gz WTVSBMBCSMROCS-UHFFFAOYSA-N 0 0 309.366 0.972 50 0 DCAARN COC(=O)C(C)(C)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000040086895 183032113 /nfs/dbraw/zinc/03/21/13/183032113.db2.gz QIWSRUUJVVKLJH-UHFFFAOYSA-N 0 0 318.351 0.211 50 0 DCAARN CN(CC(=O)NCc1ccco1)S(=O)(=O)c1cccnc1 ZINC000040090014 183033452 /nfs/dbraw/zinc/03/34/52/183033452.db2.gz JLRNFANXZIVTQR-UHFFFAOYSA-N 0 0 309.347 0.612 50 0 DCAARN COc1ccc(NC(=O)C(=O)NCc2c(C)nn(C)c2C)cn1 ZINC000040286028 183051098 /nfs/dbraw/zinc/05/10/98/183051098.db2.gz YNFQNONYEGXQCF-UHFFFAOYSA-N 0 0 317.349 0.695 50 0 DCAARN Cc1cc(CN2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)on1 ZINC000040475603 183073955 /nfs/dbraw/zinc/07/39/55/183073955.db2.gz KNNXBGMHZLCHEI-UHFFFAOYSA-N 0 0 303.322 0.024 50 0 DCAARN CC(=O)NCCNC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000040476396 183075327 /nfs/dbraw/zinc/07/53/27/183075327.db2.gz BBELZOGAECDXEJ-UHFFFAOYSA-N 0 0 317.349 0.201 50 0 DCAARN NC(=O)C1CCN(Cn2nc(-c3ccc(F)cc3)oc2=O)CC1 ZINC000040477453 183075336 /nfs/dbraw/zinc/07/53/36/183075336.db2.gz SEZOOZFODVPMTM-UHFFFAOYSA-N 0 0 320.324 0.797 50 0 DCAARN COc1cccc(/C=C/C(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000040480855 183076431 /nfs/dbraw/zinc/07/64/31/183076431.db2.gz SEPMRGXXMKKUNV-VOTSOKGWSA-N 0 0 324.402 0.812 50 0 DCAARN O=C(NCc1ccco1)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000040490217 183079797 /nfs/dbraw/zinc/07/97/97/183079797.db2.gz OPODGMPMPLKBQK-UKRRQHHQSA-N 0 0 323.393 0.816 50 0 DCAARN O=C(Nc1ccc(-n2cncn2)nc1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000040497000 183081143 /nfs/dbraw/zinc/08/11/43/183081143.db2.gz YVPNYGDBOFNSLE-SNVBAGLBSA-N 0 0 312.333 0.612 50 0 DCAARN CC[C@@H](C)NC(=O)CN1CCN(Cc2nc(C3CC3)no2)CC1 ZINC000040497205 183081931 /nfs/dbraw/zinc/08/19/31/183081931.db2.gz ZXLCYBDEZIVRLJ-GFCCVEGCSA-N 0 0 321.425 0.979 50 0 DCAARN C[C@@H]1CN(CCOc2ccc(S(N)(=O)=O)cc2)[C@H](C)CO1 ZINC000040501498 183083554 /nfs/dbraw/zinc/08/35/54/183083554.db2.gz VXAHUUUEDGPKPC-VXGBXAGGSA-N 0 0 314.407 0.822 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000040502011 183084671 /nfs/dbraw/zinc/08/46/71/183084671.db2.gz DZFMLMPJJRFKEJ-NWDGAFQWSA-N 0 0 316.423 0.136 50 0 DCAARN Cc1cccc2c(=O)n(CC(=O)N3CCOC[C@@H]3C)cnc12 ZINC000040509705 183086283 /nfs/dbraw/zinc/08/62/83/183086283.db2.gz ADNJVQRNMMJXRB-LBPRGKRZSA-N 0 0 301.346 0.952 50 0 DCAARN O=C(N[C@@H]1CCCCNC1=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000040521496 183090670 /nfs/dbraw/zinc/09/06/70/183090670.db2.gz QAHOUWSBMDCECS-CHWSQXEVSA-N 0 0 302.330 0.553 50 0 DCAARN Cn1cnc(S(=O)(=O)NCCCn2cncn2)c1Cl ZINC000040527701 183093423 /nfs/dbraw/zinc/09/34/23/183093423.db2.gz NREXETNKMFAXHJ-UHFFFAOYSA-N 0 0 304.763 0.034 50 0 DCAARN C[C@H](C(=O)NCc1ccccc1Cn1cncn1)S(C)(=O)=O ZINC000040540310 183097324 /nfs/dbraw/zinc/09/73/24/183097324.db2.gz IALFMVNFDNUEIA-LLVKDONJSA-N 0 0 322.390 0.376 50 0 DCAARN Cc1ccc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cn1 ZINC000040542845 183098616 /nfs/dbraw/zinc/09/86/16/183098616.db2.gz WUYOYBJNDCDSMQ-GFCCVEGCSA-N 0 0 311.407 0.791 50 0 DCAARN Cn1nc(C(=O)NCc2cccnc2)c2c1CCS(=O)(=O)C2 ZINC000041070323 183162515 /nfs/dbraw/zinc/16/25/15/183162515.db2.gz WXELIHQWYRWHIQ-UHFFFAOYSA-N 0 0 320.374 0.216 50 0 DCAARN CCn1nc(C)c2c1cnn2CC(=O)N1CCN(CC)CC1 ZINC000041124207 183168955 /nfs/dbraw/zinc/16/89/55/183168955.db2.gz BYGVPFYNXNPJHR-UHFFFAOYSA-N 0 0 304.398 0.725 50 0 DCAARN Cc1nn(CC(=O)N2CC[C@H](C(N)=O)C2)c(=O)c2ccccc12 ZINC000041129557 183170297 /nfs/dbraw/zinc/17/02/97/183170297.db2.gz KZGMHMIWHQDSAK-NSHDSACASA-N 0 0 314.345 0.039 50 0 DCAARN CC(C)[C@H](CNC(=O)CN1CCSC1=O)N1CCOCC1 ZINC000041934465 183225744 /nfs/dbraw/zinc/22/57/44/183225744.db2.gz YHQWPCXZYROPCP-LBPRGKRZSA-N 0 0 315.439 0.628 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)NCc1nnc2n1CCC2 ZINC000042648737 183294120 /nfs/dbraw/zinc/29/41/20/183294120.db2.gz BFSKGZOOUSNUND-UHFFFAOYSA-N 0 0 302.382 0.824 50 0 DCAARN CC(C)CO[C@H](C)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000042723720 183301620 /nfs/dbraw/zinc/30/16/20/183301620.db2.gz MTHLTUDIHIJSAJ-CHWSQXEVSA-N 0 0 320.455 0.978 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)N(C[C@H]1CCOC1)C1CC1 ZINC000042871940 183316243 /nfs/dbraw/zinc/31/62/43/183316243.db2.gz IYZRXVKEUJIHSP-MNOVXSKESA-N 0 0 302.396 0.384 50 0 DCAARN CN1C[C@@H](C(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1=O ZINC000043083056 183334889 /nfs/dbraw/zinc/33/48/89/183334889.db2.gz ZWJBORHOTJBIBE-NSHDSACASA-N 0 0 310.375 0.185 50 0 DCAARN O=C(CCn1nnc2ccccc2c1=O)NCc1ccncc1 ZINC000044451369 183410370 /nfs/dbraw/zinc/41/03/70/183410370.db2.gz ZLGLXCJOLFSEDI-UHFFFAOYSA-N 0 0 309.329 0.893 50 0 DCAARN CC(=O)N1CCC(NC(=O)NCCNc2ncccn2)CC1 ZINC000043880287 183388672 /nfs/dbraw/zinc/38/86/72/183388672.db2.gz MKUBWPFWRNBFGL-UHFFFAOYSA-N 0 0 306.370 0.199 50 0 DCAARN C[C@@]1(NC(=O)c2ccc3c(c2)CCC(=O)N3)CCS(=O)(=O)C1 ZINC000044890031 183448484 /nfs/dbraw/zinc/44/84/84/183448484.db2.gz JXEBIYDVEDVHSH-OAHLLOKOSA-N 0 0 322.386 0.878 50 0 DCAARN COCCN1C[C@@H](C(=O)NCc2ccc(OC)cc2)CC1=O ZINC000045268386 183493261 /nfs/dbraw/zinc/49/32/61/183493261.db2.gz KMNGQDXVBGYWQZ-ZDUSSCGKSA-N 0 0 306.362 0.806 50 0 DCAARN CCCCN(CC(N)=O)C(=O)Cn1ncc2ccccc2c1=O ZINC000045746400 183527516 /nfs/dbraw/zinc/52/75/16/183527516.db2.gz KCCNGRIBGJJPQT-UHFFFAOYSA-N 0 0 316.361 0.511 50 0 DCAARN COCc1ccc(CNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000047594639 183596690 /nfs/dbraw/zinc/59/66/90/183596690.db2.gz OZPLBPWNICQCOC-ZDUSSCGKSA-N 0 0 312.391 0.819 50 0 DCAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CCC(=O)NC1 ZINC000047721866 183603184 /nfs/dbraw/zinc/60/31/84/183603184.db2.gz IYDPZDWUDLXMEH-GFCCVEGCSA-N 0 0 304.346 0.942 50 0 DCAARN C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1cccnc1 ZINC000048068112 183618415 /nfs/dbraw/zinc/61/84/15/183618415.db2.gz IHMYTIPKOSIRBC-NSHDSACASA-N 0 0 314.411 0.723 50 0 DCAARN CC(=O)N1CCC(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 ZINC000048288548 183638466 /nfs/dbraw/zinc/63/84/66/183638466.db2.gz UPOLANPZVBDEHM-OAHLLOKOSA-N 0 0 316.357 0.895 50 0 DCAARN C[C@@H](C(=O)NCCOc1ccc2c(c1)OCO2)n1cncn1 ZINC000048537111 183663637 /nfs/dbraw/zinc/66/36/37/183663637.db2.gz ZFSPVJZNVKGXRH-JTQLQIEISA-N 0 0 304.306 0.763 50 0 DCAARN O=C1N(CCc2ccccc2)CCC[C@]1(O)CN1CCOCC1 ZINC000020294308 284853819 /nfs/dbraw/zinc/85/38/19/284853819.db2.gz IMNQWCOZLJEMEV-SFHVURJKSA-N 0 0 318.417 0.915 50 0 DCAARN CC(=O)N1CCCN(C(=O)Cn2nnc3ccccc32)CC1 ZINC000055199294 183970803 /nfs/dbraw/zinc/97/08/03/183970803.db2.gz ZBLFNJHCNMGWFQ-UHFFFAOYSA-N 0 0 301.350 0.512 50 0 DCAARN COc1ccc(-n2ccc(C(=O)N3CC[C@@H](C(N)=O)C3)n2)cc1 ZINC000055285808 183976998 /nfs/dbraw/zinc/97/69/98/183976998.db2.gz MZEVEDVQDXCFOB-LLVKDONJSA-N 0 0 314.345 0.828 50 0 DCAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCNC(=O)C2)c1C ZINC000057024632 184024892 /nfs/dbraw/zinc/02/48/92/184024892.db2.gz ZDQMSDMUKJRTDF-LLVKDONJSA-N 0 0 321.377 0.811 50 0 DCAARN Cc1cc2nc(SCC(=O)N3CCOCC3)n(C)c(=O)c2[nH]1 ZINC000057522147 184041172 /nfs/dbraw/zinc/04/11/72/184041172.db2.gz FDWALLMJSWTVMW-UHFFFAOYSA-N 0 0 322.390 0.521 50 0 DCAARN O=C(Cn1cc(NC(=O)NCC(F)(F)F)cn1)NC1CC1 ZINC000058015814 184067449 /nfs/dbraw/zinc/06/74/49/184067449.db2.gz BSYGWLKWUSFLBU-UHFFFAOYSA-N 0 0 305.260 0.846 50 0 DCAARN C[C@@H]1Cc2ccccc2N1C(=O)CN[C@H]1C=CS(=O)(=O)C1 ZINC000058163974 184083302 /nfs/dbraw/zinc/08/33/02/184083302.db2.gz SZUWOVFFWVTLJS-YPMHNXCESA-N 0 0 306.387 0.865 50 0 DCAARN CCc1ccc(S(=O)(=O)N(CCOC)CC(N)=O)s1 ZINC000058174218 184084302 /nfs/dbraw/zinc/08/43/02/184084302.db2.gz SCNHCQLRGGMWSF-UHFFFAOYSA-N 0 0 306.409 0.433 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000058175238 184084976 /nfs/dbraw/zinc/08/49/76/184084976.db2.gz XPDYBEABDNLADW-UHFFFAOYSA-N 0 0 306.771 0.462 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1ccc(F)cc1C ZINC000058214976 184089126 /nfs/dbraw/zinc/08/91/26/184089126.db2.gz PPWYNQIFWZJOLB-UHFFFAOYSA-N 0 0 304.343 0.257 50 0 DCAARN O=C(CCNC(=O)c1ccc(Cl)cc1)N[C@H]1CCCNC1=O ZINC000058218910 184089896 /nfs/dbraw/zinc/08/98/96/184089896.db2.gz XZQLNPFPFUGGGI-LBPRGKRZSA-N 0 0 323.780 0.855 50 0 DCAARN COc1ccc(CCC(=O)N2CCN([C@H](C)C(N)=O)CC2)cc1 ZINC000058225180 184090119 /nfs/dbraw/zinc/09/01/19/184090119.db2.gz TXYWVGDTMMVSCJ-CYBMUJFWSA-N 0 0 319.405 0.646 50 0 DCAARN O=c1cc(Cn2nnc(-c3ccc(Cl)cc3)n2)[nH]c(=O)[nH]1 ZINC000058292390 184101410 /nfs/dbraw/zinc/10/14/10/184101410.db2.gz OXLVZVYRMZTJAC-UHFFFAOYSA-N 0 0 304.697 0.418 50 0 DCAARN CCN(CC)S(=O)(=O)NC[C@H](C)N1C[C@@H](C)O[C@H](C)C1 ZINC000058328858 184105716 /nfs/dbraw/zinc/10/57/16/184105716.db2.gz YDZVLMYBGIWPJM-YNEHKIRRSA-N 0 0 307.460 0.660 50 0 DCAARN CCNC(=O)NC(=O)CNc1ccccc1CS(C)(=O)=O ZINC000058420794 184115927 /nfs/dbraw/zinc/11/59/27/184115927.db2.gz WVZZZITUZMSENB-UHFFFAOYSA-N 0 0 313.379 0.489 50 0 DCAARN CCOC(=O)C1CCN(C(=O)c2ccc(C(N)=O)cn2)CC1 ZINC000058429743 184117320 /nfs/dbraw/zinc/11/73/20/184117320.db2.gz OWHAMJCXMRSCSQ-UHFFFAOYSA-N 0 0 305.334 0.596 50 0 DCAARN Cc1noc(C)c1CCC(=O)NCCn1nc(C)ccc1=O ZINC000062007447 184201405 /nfs/dbraw/zinc/20/14/05/184201405.db2.gz KDHBBLJSCSMZIY-UHFFFAOYSA-N 0 0 304.350 0.906 50 0 DCAARN COCCNC(=O)Cn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775869 184303105 /nfs/dbraw/zinc/30/31/05/184303105.db2.gz WIINPXSDMPPGRY-UHFFFAOYSA-N 0 0 314.345 0.651 50 0 DCAARN Cc1cc(C)n([C@H](C)CNC(=O)c2cc3n(n2)CCNC3)n1 ZINC000065386382 184333385 /nfs/dbraw/zinc/33/33/85/184333385.db2.gz PWZUAVILFIASJK-GFCCVEGCSA-N 0 0 302.382 0.791 50 0 DCAARN CCOc1ncccc1C(=O)N[C@H]1C[C@@H](C(=O)OC)N(C)C1 ZINC000065394129 184334775 /nfs/dbraw/zinc/33/47/75/184334775.db2.gz QUTOTJWCPQFDDX-JQWIXIFHSA-N 0 0 307.350 0.456 50 0 DCAARN COc1ccc(-n2c(CCCN3CCOCC3)n[nH]c2=O)cc1 ZINC000065394768 184334789 /nfs/dbraw/zinc/33/47/89/184334789.db2.gz CUYJEXAGEIONAA-UHFFFAOYSA-N 0 0 318.377 0.834 50 0 DCAARN O=C(CCN[C@@H]1C=CS(=O)(=O)C1)N1CCc2ccccc2C1 ZINC000065409545 184339783 /nfs/dbraw/zinc/33/97/83/184339783.db2.gz PTJHDMHGOHLNOK-OAHLLOKOSA-N 0 0 320.414 0.862 50 0 DCAARN CC(=O)N1CCN(CCNC(=O)NCc2ccc(C)n2C)CC1 ZINC000065428648 184343460 /nfs/dbraw/zinc/34/34/60/184343460.db2.gz KMKSFSJSIWMAIC-UHFFFAOYSA-N 0 0 321.425 0.297 50 0 DCAARN COc1cc(NCCn2[nH]c(=O)c3ccccc3c2=O)ncn1 ZINC000065432300 184344361 /nfs/dbraw/zinc/34/43/61/184344361.db2.gz LDYWSDDJUKASKO-UHFFFAOYSA-N 0 0 313.317 0.601 50 0 DCAARN C[C@@H]1CCCN(CCNC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000065452731 184346434 /nfs/dbraw/zinc/34/64/34/184346434.db2.gz DAGPKPPAOKQKHL-CHWSQXEVSA-N 0 0 317.455 0.547 50 0 DCAARN CC(=O)N(C)[C@H](C)C1=CCN(CC(=O)Nc2cnccn2)CC1 ZINC000065461307 184348994 /nfs/dbraw/zinc/34/89/94/184348994.db2.gz MIPKTSJTDNVAOD-GFCCVEGCSA-N 0 0 317.393 0.914 50 0 DCAARN O=C(Cn1c(=O)cnc2ccccc21)N[C@H]1CCc2nccn2C1 ZINC000065463143 184349783 /nfs/dbraw/zinc/34/97/83/184349783.db2.gz OXCUFEBYEZVWKU-LBPRGKRZSA-N 0 0 323.356 0.724 50 0 DCAARN Cc1cc(C)n(CCNC(=O)c2cc(C)nc(C)n2)c(=O)n1 ZINC000065468787 184350536 /nfs/dbraw/zinc/35/05/36/184350536.db2.gz HUCQQDQJTXBRGY-UHFFFAOYSA-N 0 0 301.350 0.697 50 0 DCAARN COCC1(C(=O)NCCS(=O)(=O)N2CCCC2)CCC1 ZINC000065491588 184353625 /nfs/dbraw/zinc/35/36/25/184353625.db2.gz MPUJVJCHSRYUHL-UHFFFAOYSA-N 0 0 304.412 0.345 50 0 DCAARN CN1CCN2CCN(C(=O)c3ncoc3C3CC3)C[C@@H]2C1=O ZINC000065404478 184338089 /nfs/dbraw/zinc/33/80/89/184338089.db2.gz FLFOSIVPKLFMFY-LLVKDONJSA-N 0 0 304.350 0.150 50 0 DCAARN CNc1ccc(Cl)cc1C(=O)N1CCN2CCNC(=O)[C@@H]2C1 ZINC000065530328 184360675 /nfs/dbraw/zinc/36/06/75/184360675.db2.gz NYRDYZKPAJEMSB-ZDUSSCGKSA-N 0 0 322.796 0.638 50 0 DCAARN CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccn(C)c(=O)c1 ZINC000065535360 184362206 /nfs/dbraw/zinc/36/22/06/184362206.db2.gz QFCUYZDXHMXRLH-UHFFFAOYSA-N 0 0 324.344 0.838 50 0 DCAARN CCOc1nnc(CN2CCC(N3CCNC3=O)CC2)s1 ZINC000065550735 184364609 /nfs/dbraw/zinc/36/46/09/184364609.db2.gz VSZNFPVLXJKOTP-UHFFFAOYSA-N 0 0 311.411 0.926 50 0 DCAARN O=C1[C@H]2CCCN2C(=O)N1C[C@@H](O)COCc1ccccc1 ZINC000065552827 184365086 /nfs/dbraw/zinc/36/50/86/184365086.db2.gz XGUGTMWPAWUBFT-ZIAGYGMSSA-N 0 0 304.346 0.991 50 0 DCAARN CCN(CC)S(=O)(=O)NCC(=O)Nc1ccc(F)cc1 ZINC000065585930 184368693 /nfs/dbraw/zinc/36/86/93/184368693.db2.gz BGLXGVZMRYGGJP-UHFFFAOYSA-N 0 0 303.359 0.940 50 0 DCAARN COC(=O)CNC(=O)C1CCN(C(=O)OCC(C)C)CC1 ZINC000065604355 184371436 /nfs/dbraw/zinc/37/14/36/184371436.db2.gz QRPASWBBKPVPGH-UHFFFAOYSA-N 0 0 300.355 0.780 50 0 DCAARN CNC(=O)NC(=O)CN(C)Cc1nc(C)c2ccccc2n1 ZINC000065614069 184374353 /nfs/dbraw/zinc/37/43/53/184374353.db2.gz CFZGTPLKFIESKS-UHFFFAOYSA-N 0 0 301.350 0.826 50 0 DCAARN CCOC(=O)CCN(Cc1cccnc1)C(=O)Cn1cnnn1 ZINC000065856660 184381077 /nfs/dbraw/zinc/38/10/77/184381077.db2.gz YBCPBWGQIBZSNH-UHFFFAOYSA-N 0 0 318.337 0.050 50 0 DCAARN O=C1COc2ccc(S(=O)(=O)NC3CC3)c3c2N1CCC3 ZINC000004784773 296341381 /nfs/dbraw/zinc/34/13/81/296341381.db2.gz AKYAQIAESUREKE-UHFFFAOYSA-N 0 0 308.359 0.799 50 0 DCAARN OC[C@H]1CCCN1c1cc(NCCC2(O)CCOCC2)ncn1 ZINC000286525726 219036716 /nfs/dbraw/zinc/03/67/16/219036716.db2.gz ZYYPGOULPLMXRD-CYBMUJFWSA-N 0 0 322.409 0.781 50 0 DCAARN C[C@@H](NC(=O)Cn1ncc2ncccc21)C(=O)N1CCCCC1 ZINC000408525347 533100639 /nfs/dbraw/zinc/10/06/39/533100639.db2.gz XRAXXECGVSEDOE-GFCCVEGCSA-N 0 0 315.377 0.949 50 0 DCAARN CCCn1cnc2c1c(=O)n(C[C@@H](O)C(F)(F)F)c(=O)n2C ZINC000158175136 197250420 /nfs/dbraw/zinc/25/04/20/197250420.db2.gz BOFXMLMFHISCRU-SSDOTTSWSA-N 0 0 320.271 0.230 50 0 DCAARN O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000020995355 256528939 /nfs/dbraw/zinc/52/89/39/256528939.db2.gz YKSNRXKTADVOSK-NSHDSACASA-N 0 0 314.345 0.320 50 0 DCAARN COCCCCNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000040536119 256533682 /nfs/dbraw/zinc/53/36/82/256533682.db2.gz RPCTXGCNHMVHNG-AWEZNQCLSA-N 0 0 318.377 0.649 50 0 DCAARN COC(=O)c1cn(NC(=O)c2cc(C)no2)cc2c(=O)[nH]nc1-2 ZINC000524732443 257213865 /nfs/dbraw/zinc/21/38/65/257213865.db2.gz DKKWGKMQPCNOGZ-UHFFFAOYSA-N 0 0 317.261 0.555 50 0 DCAARN COCCn1ccnc1CN1CCC(NS(C)(=O)=O)CC1 ZINC000216516080 257273204 /nfs/dbraw/zinc/27/32/04/257273204.db2.gz VDCPWHMWJIXENY-UHFFFAOYSA-N 0 0 316.427 0.043 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)c2csc(C(N)=O)c2)C[C@H](C)O1 ZINC000013996872 257242984 /nfs/dbraw/zinc/24/29/84/257242984.db2.gz GHMXUTUVGJKHOM-OCAPTIKFSA-N 0 0 304.393 0.645 50 0 DCAARN Cc1nc2c(c(=O)[nH]1)CCN(C(=O)COC[C@@H]1CCCO1)CC2 ZINC000426711489 257243258 /nfs/dbraw/zinc/24/32/58/257243258.db2.gz QEYZXKADRAGVBS-LBPRGKRZSA-N 0 0 321.377 0.613 50 0 DCAARN CC(=O)NC(C)(C)C(=O)N1CCC[C@H](C(=O)c2nccn2C)C1 ZINC000426690345 257244621 /nfs/dbraw/zinc/24/46/21/257244621.db2.gz UCMAIAYEKCHOJC-LBPRGKRZSA-N 0 0 320.393 0.756 50 0 DCAARN CCS(=O)(=O)[C@@H](C)C(=O)NCCCOc1cccnc1 ZINC000426701358 257244628 /nfs/dbraw/zinc/24/46/28/257244628.db2.gz FDQXMMJZXNQANN-NSHDSACASA-N 0 0 300.380 0.790 50 0 DCAARN CCN(Cc1nc(C(C)C)no1)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000426628351 257244892 /nfs/dbraw/zinc/24/48/92/257244892.db2.gz WUCOCMFNASDLRF-JTQLQIEISA-N 0 0 315.395 0.976 50 0 DCAARN Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000426581360 257245862 /nfs/dbraw/zinc/24/58/62/257245862.db2.gz XOLXTMWAMJLARA-GFCCVEGCSA-N 0 0 313.423 0.852 50 0 DCAARN Cn1cc(CCCNC(=O)[C@H]2Cc3ccccc3C(=O)N2)cn1 ZINC000426597451 257245997 /nfs/dbraw/zinc/24/59/97/257245997.db2.gz VNMQMURBLPEVJB-OAHLLOKOSA-N 0 0 312.373 0.824 50 0 DCAARN O=C(NCC[C@H]1COc2ccccc2O1)N1CCNC(=O)CC1 ZINC000426563554 257246379 /nfs/dbraw/zinc/24/63/79/257246379.db2.gz VYBXVIZXAXWQBT-LBPRGKRZSA-N 0 0 319.361 0.748 50 0 DCAARN COCCN1CCN(C(=O)Cc2nc3ccccc3[nH]2)CC1 ZINC000426541224 257247250 /nfs/dbraw/zinc/24/72/50/257247250.db2.gz IKWNPOZOHAIGRM-UHFFFAOYSA-N 0 0 302.378 0.896 50 0 DCAARN CCN1CCN(C(=O)c2nnc3nc(C)ccn32)[C@@H](C)C1=O ZINC000426536261 257247831 /nfs/dbraw/zinc/24/78/31/257247831.db2.gz JERIVBKWBMNWPN-JTQLQIEISA-N 0 0 302.338 0.126 50 0 DCAARN Cc1ccc(CCNC(=O)N2CC[C@H](CS(N)(=O)=O)C2)o1 ZINC000426511565 257248596 /nfs/dbraw/zinc/24/85/96/257248596.db2.gz FDBBSOGDQKJWKX-NSHDSACASA-N 0 0 315.395 0.451 50 0 DCAARN O=C([O-])CNC(=O)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000426485598 257249224 /nfs/dbraw/zinc/24/92/24/257249224.db2.gz KHEKCAWWCGONPJ-OAHLLOKOSA-N 0 0 317.389 0.956 50 0 DCAARN [NH3+]CCOc1ccc(F)cc1C(=O)NCCCc1nnn[n-]1 ZINC000426479166 257249761 /nfs/dbraw/zinc/24/97/61/257249761.db2.gz XRKJCMMUWHFQAA-UHFFFAOYSA-N 0 0 308.317 0.039 50 0 DCAARN OCCNc1nc(NC2CCCCC2)cc([C@H]2CCOC2)n1 ZINC000426429841 257250077 /nfs/dbraw/zinc/25/00/77/257250077.db2.gz QHXOPLIVIIUBHQ-LBPRGKRZSA-N 0 0 306.410 0.973 50 0 DCAARN Cc1nccn1[C@H](C)C(=O)N1Cc2nc(C)n(C)c(=O)c2C1 ZINC000426433692 257250112 /nfs/dbraw/zinc/25/01/12/257250112.db2.gz RZWFTIDBUSLSNT-SECBINFHSA-N 0 0 301.350 0.697 50 0 DCAARN O=C(NCCCn1ncc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000426414767 257251720 /nfs/dbraw/zinc/25/17/20/257251720.db2.gz UAWLZPJZPUEEHW-CYBMUJFWSA-N 0 0 321.402 0.977 50 0 DCAARN CC(C)n1cnnc1CN(C)C(=O)[C@@H](C)N1CCN(C)CC1 ZINC000426407697 257251823 /nfs/dbraw/zinc/25/18/23/257251823.db2.gz SXDYHUKUADZAPG-CYBMUJFWSA-N 0 0 308.430 0.453 50 0 DCAARN CCc1cnc(C)nc1N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O ZINC000426411254 257251859 /nfs/dbraw/zinc/25/18/59/257251859.db2.gz GVUXCXHRNXFCNS-ZIAGYGMSSA-N 0 0 321.425 0.283 50 0 DCAARN CCCC1(C(=O)[O-])CCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000426397631 257252706 /nfs/dbraw/zinc/25/27/06/257252706.db2.gz TVCFMWRDRYILRI-ZDUSSCGKSA-N 0 0 312.410 0.937 50 0 DCAARN Cn1c2ccccc2cc(C(=O)N[C@@H]2C[NH2+][C@H](C(=O)[O-])C2)c1=O ZINC000426380678 257252735 /nfs/dbraw/zinc/25/27/35/257252735.db2.gz RPSBDHMRQQHRNO-JQWIXIFHSA-N 0 0 315.329 0.083 50 0 DCAARN Cc1[nH]c(=O)c(C(=O)N2CCN3C(=O)OC[C@H]3C2)c(C)c1C ZINC000426379602 257253123 /nfs/dbraw/zinc/25/31/23/257253123.db2.gz COYWCSZKOYLRPI-LLVKDONJSA-N 0 0 305.334 0.989 50 0 DCAARN Cc1nc2ncnn2c(C)c1CCC(=O)NC1=NCCS1 ZINC000006851829 257267968 /nfs/dbraw/zinc/26/79/68/257267968.db2.gz VPHPVILQNSNLII-UHFFFAOYSA-N 0 0 304.379 0.893 50 0 DCAARN C[C@@H](CNC(=O)c1nc(S(C)(=O)=O)n2ccccc12)N(C)C ZINC000058306361 257270161 /nfs/dbraw/zinc/27/01/61/257270161.db2.gz ZODINWVKBINNMN-JTQLQIEISA-N 0 0 324.406 0.418 50 0 DCAARN NC(=O)CC1CCN(C(=O)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000071808785 184848537 /nfs/dbraw/zinc/84/85/37/184848537.db2.gz ZUFPEVKPTDXBMJ-UHFFFAOYSA-N 0 0 314.345 0.651 50 0 DCAARN CCn1ccnc1CN1CCN(CCCS(C)(=O)=O)CC1 ZINC000069597619 184822003 /nfs/dbraw/zinc/82/20/03/184822003.db2.gz YJIFCVRYVZGLGF-UHFFFAOYSA-N 0 0 314.455 0.455 50 0 DCAARN COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000276887367 533357990 /nfs/dbraw/zinc/35/79/90/533357990.db2.gz CXNACPCZUDOHDX-JTQLQIEISA-N 0 0 323.317 0.556 50 0 DCAARN COc1cccc(CN2CCN(C(=O)[C@@H]3CCOC3)CC2=O)c1 ZINC000299762255 533479817 /nfs/dbraw/zinc/47/98/17/533479817.db2.gz NERDAVKOWVSIOO-CQSZACIVSA-N 0 0 318.373 0.903 50 0 DCAARN C[C@H](NC(=O)CN1C[C@H](C(N)=O)Oc2ccccc21)C1CC1 ZINC000008780462 134490150 /nfs/dbraw/zinc/49/01/50/134490150.db2.gz ACICUENWHBNYEC-IINYFYTJSA-N 0 0 303.362 0.654 50 0 DCAARN C[C@H](C(=O)Nc1ccc(N2CCOCC2)nc1)n1cncn1 ZINC000027585641 134668275 /nfs/dbraw/zinc/66/82/75/134668275.db2.gz KOEJAJCNNVHDCO-LLVKDONJSA-N 0 0 302.338 0.709 50 0 DCAARN O=C(Nc1ccccc1N1CCNC(=O)C1)c1ccc[nH]c1=O ZINC000049027200 134754970 /nfs/dbraw/zinc/75/49/70/134754970.db2.gz MJPIOARBCYHZIU-UHFFFAOYSA-N 0 0 312.329 0.563 50 0 DCAARN CC[C@H](C)NC(=O)Cn1ncc2c1ncnc2N1CCOCC1 ZINC000065295079 134820994 /nfs/dbraw/zinc/82/09/94/134820994.db2.gz RDKPZNDGUUZYQY-NSHDSACASA-N 0 0 318.381 0.578 50 0 DCAARN CN(C)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000008516721 395684677 /nfs/dbraw/zinc/68/46/77/395684677.db2.gz UHEASMJHEFZWEG-UHFFFAOYSA-N 0 0 314.363 0.214 50 0 DCAARN Cc1cc(=O)[nH]c(SCn2nnc3ccccc3c2=O)n1 ZINC000008580151 395684778 /nfs/dbraw/zinc/68/47/78/395684778.db2.gz ZRJFOYLYOUJMKB-UHFFFAOYSA-N 0 0 301.331 0.933 50 0 DCAARN COCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC000009227672 395685197 /nfs/dbraw/zinc/68/51/97/395685197.db2.gz VYQGHFQJSOPNJU-NSHDSACASA-N 0 0 300.380 0.424 50 0 DCAARN Cc1n[nH]c(C)c1NC(=O)CN1C(=O)N[C@@H](CC(C)C)C1=O ZINC000009862685 395685647 /nfs/dbraw/zinc/68/56/47/395685647.db2.gz JEZOZIIVVBFWTF-JTQLQIEISA-N 0 0 307.354 0.932 50 0 DCAARN CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(N)=O)c1 ZINC000010601399 395686151 /nfs/dbraw/zinc/68/61/51/395686151.db2.gz ZEBUGGDWLQZOLL-QMMMGPOBSA-N 0 0 300.336 0.015 50 0 DCAARN O=S(=O)(c1cc(Cl)ccc1Cl)N(CCO)CCO ZINC000011566233 395686620 /nfs/dbraw/zinc/68/66/20/395686620.db2.gz MTVPPTPAJIUJAJ-UHFFFAOYSA-N 0 0 314.190 0.969 50 0 DCAARN CNC(=O)Cn1nc(C)c2cnn(-c3ccc(F)cc3)c2c1=O ZINC000012228428 395687228 /nfs/dbraw/zinc/68/72/28/395687228.db2.gz HGCWHXYTBBRESZ-UHFFFAOYSA-N 0 0 315.308 0.776 50 0 DCAARN O=C(CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NC1CC1 ZINC000012321137 395687517 /nfs/dbraw/zinc/68/75/17/395687517.db2.gz FGPUZXRYZAQYDG-GFCCVEGCSA-N 0 0 315.373 0.824 50 0 DCAARN O=C(Cn1c2ccccc2nc1NCCO)NC[C@H]1CCCO1 ZINC000012546582 395687707 /nfs/dbraw/zinc/68/77/07/395687707.db2.gz LKPBAAYEESTZDX-GFCCVEGCSA-N 0 0 318.377 0.736 50 0 DCAARN O=C(C[C@@H]1CSc2nccc(=O)n21)NCc1ccncc1 ZINC000012666937 395687872 /nfs/dbraw/zinc/68/78/72/395687872.db2.gz DYIBOAFDXRMKFN-LLVKDONJSA-N 0 0 302.359 0.992 50 0 DCAARN CN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)Cc1ccccc1 ZINC000012780341 395688025 /nfs/dbraw/zinc/68/80/25/395688025.db2.gz RUZKDSGDBBFTLE-OAHLLOKOSA-N 0 0 310.419 0.812 50 0 DCAARN O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(=O)[nH]n1 ZINC000012890067 395688189 /nfs/dbraw/zinc/68/81/89/395688189.db2.gz MQVAZBLCZYZRAA-UHFFFAOYSA-N 0 0 309.329 0.928 50 0 DCAARN O=C(COC(=O)c1cc2c(s1)CCC2)N1CCNC(=O)C1 ZINC000013162591 395688493 /nfs/dbraw/zinc/68/84/93/395688493.db2.gz HVOJYUAOZLPDJP-UHFFFAOYSA-N 0 0 308.359 0.352 50 0 DCAARN CN(C)S(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000013679494 395688805 /nfs/dbraw/zinc/68/88/05/395688805.db2.gz FYFNBCHKHBPDFG-UHFFFAOYSA-N 0 0 303.428 0.517 50 0 DCAARN Cc1cccc(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1C ZINC000013727251 395688951 /nfs/dbraw/zinc/68/89/51/395688951.db2.gz PQLDSTHIIRVRQT-HZPDHXFCSA-N 0 0 324.446 0.583 50 0 DCAARN C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(F)cc1F ZINC000014140030 395689170 /nfs/dbraw/zinc/68/91/70/395689170.db2.gz VRJHGNJOVFFONP-QMMMGPOBSA-N 0 0 309.272 0.692 50 0 DCAARN NC(=O)[C@@H]1CCCCN1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000014183499 395689293 /nfs/dbraw/zinc/68/92/93/395689293.db2.gz HFTMVQPZIBQRSC-NSHDSACASA-N 0 0 305.334 0.694 50 0 DCAARN COc1ccc(OCC(N)=O)cc1S(=O)(=O)N1CCCC1 ZINC000016622961 395690549 /nfs/dbraw/zinc/69/05/49/395690549.db2.gz OUPIHWVWMUSSQR-UHFFFAOYSA-N 0 0 314.363 0.344 50 0 DCAARN Cc1ccn(CCC(=O)N2CCN(c3ncccn3)CC2)n1 ZINC000020989532 395691467 /nfs/dbraw/zinc/69/14/67/395691467.db2.gz GZTXKBWYBMYHJU-UHFFFAOYSA-N 0 0 300.366 0.720 50 0 DCAARN CC(C)CNC(=O)CN1CCN(c2ncccc2C(N)=O)CC1 ZINC000022977255 395692158 /nfs/dbraw/zinc/69/21/58/395692158.db2.gz YSPCLQQANZXMEN-UHFFFAOYSA-N 0 0 319.409 0.075 50 0 DCAARN C[C@@H](OC(=O)CCc1nc2ccccc2c(=O)n1C)C(N)=O ZINC000023228588 395692392 /nfs/dbraw/zinc/69/23/92/395692392.db2.gz KBMPVZVYDVRFHX-SECBINFHSA-N 0 0 303.318 0.283 50 0 DCAARN Cc1nc2nc(S(=O)(=O)N3CCOCC3)nn2c(C)c1C ZINC000000033739 395679709 /nfs/dbraw/zinc/67/97/09/395679709.db2.gz NLYNQMSLQBYDRI-UHFFFAOYSA-N 0 0 311.367 0.070 50 0 DCAARN CCOc1ccc(N([C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000000080457 395679755 /nfs/dbraw/zinc/67/97/55/395679755.db2.gz LZMFLKYNIKVZHH-JTQLQIEISA-N 0 0 300.380 0.986 50 0 DCAARN CCOC(=O)Cn1nc2sc3ccccc3n2c(=O)c1=O ZINC000000160185 395679885 /nfs/dbraw/zinc/67/98/85/395679885.db2.gz UVUFHYQNIWUGIX-UHFFFAOYSA-N 0 0 305.315 0.634 50 0 DCAARN COc1ccc(CN2C[C@H](C(=O)N3CCOCC3)CC2=O)cc1 ZINC000000220262 395680037 /nfs/dbraw/zinc/68/00/37/395680037.db2.gz NZUXXRWXJZUREE-CQSZACIVSA-N 0 0 318.373 0.903 50 0 DCAARN CCOc1ccc(NC(=O)Cn2nnc(C(=O)OC)c2N)cc1 ZINC000000248747 395680081 /nfs/dbraw/zinc/68/00/81/395680081.db2.gz ZZFPKYZTRUURSU-UHFFFAOYSA-N 0 0 319.321 0.684 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C ZINC000000213345 395680086 /nfs/dbraw/zinc/68/00/86/395680086.db2.gz XAYYKALXCBSEJI-UHFFFAOYSA-N 0 0 312.391 0.890 50 0 DCAARN CCCS(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000000263253 395680210 /nfs/dbraw/zinc/68/02/10/395680210.db2.gz NUKZRFNSWOXVGX-UHFFFAOYSA-N 0 0 304.412 0.297 50 0 DCAARN NC(=O)C1CCN(Cc2nnnn2Cc2ccccc2)CC1 ZINC000000413437 395680275 /nfs/dbraw/zinc/68/02/75/395680275.db2.gz HEYALVNFQMCIME-UHFFFAOYSA-N 0 0 300.366 0.419 50 0 DCAARN COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(N)=O)c1 ZINC000000381066 395680363 /nfs/dbraw/zinc/68/03/63/395680363.db2.gz MUNLIKFGKZDGAT-LBPRGKRZSA-N 0 0 307.375 0.982 50 0 DCAARN CCCNC(=O)CNC(=O)c1ccc(OCC(=O)NCC)cc1 ZINC000025467730 395693537 /nfs/dbraw/zinc/69/35/37/395693537.db2.gz TVEISUGRNJJMHF-UHFFFAOYSA-N 0 0 321.377 0.458 50 0 DCAARN CC(C)OC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C[C@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000000545313 395680535 /nfs/dbraw/zinc/68/05/35/395680535.db2.gz ODFODHMLWHLQBT-NLIDSEJHSA-N 0 0 321.373 0.899 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)OC[C@@H]1COc3ccccc3[C@H]21 ZINC000001401552 395680802 /nfs/dbraw/zinc/68/08/02/395680802.db2.gz FZDZCSYWZKEFFE-JOYOIKCWSA-N 0 0 300.314 0.617 50 0 biogenic DCAARN O=S(=O)(c1cccn2c(=S)[nH]nc12)N1CCOCC1 ZINC000001425145 395680839 /nfs/dbraw/zinc/68/08/39/395680839.db2.gz IRRUVYOXWCDPNP-UHFFFAOYSA-N 0 0 300.365 0.413 50 0 DCAARN COC(=O)Cn1c2ccccc2n(CCN2CCOCC2)c1=N ZINC000001822121 395681111 /nfs/dbraw/zinc/68/11/11/395681111.db2.gz SQMXFODMVWYJRA-UHFFFAOYSA-N 0 0 318.377 0.427 50 0 DCAARN CC(C)CCn1c(NCCCO)nc2c1c(=O)[nH]c(=O)n2C ZINC000001859927 395681212 /nfs/dbraw/zinc/68/12/12/395681212.db2.gz JFXNSCMREXPXAS-UHFFFAOYSA-N 0 0 309.370 0.264 50 0 biogenic DCAARN [NH3+]CCCC[C@H](NC(=O)CNC(=O)c1ccccc1)C(=O)[O-] ZINC000002390912 395681589 /nfs/dbraw/zinc/68/15/89/395681589.db2.gz LRCZLURYHGISRZ-LBPRGKRZSA-N 0 0 307.350 0.115 50 0 DCAARN Cc1cc(C)cc(NC(=O)COC(=O)c2cc(=O)[nH]c(=O)[nH]2)c1 ZINC000002638136 395681679 /nfs/dbraw/zinc/68/16/79/395681679.db2.gz QLOXQKLGJKKKDQ-UHFFFAOYSA-N 0 0 317.301 0.888 50 0 DCAARN COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000002917013 395682128 /nfs/dbraw/zinc/68/21/28/395682128.db2.gz ATMLCFFPYHLGAB-UHFFFAOYSA-N 0 0 314.345 0.953 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000003206994 395682397 /nfs/dbraw/zinc/68/23/97/395682397.db2.gz CEIRLAPLCMSOEO-VIFPVBQESA-N 0 0 305.377 0.161 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2ccccc2oc1=O ZINC000004333220 395682549 /nfs/dbraw/zinc/68/25/49/395682549.db2.gz GXHPTPOTMDEDID-SNVBAGLBSA-N 0 0 307.327 0.710 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)Nc1cccc(F)c1 ZINC000008093638 395684007 /nfs/dbraw/zinc/68/40/07/395684007.db2.gz ZMJZKWWJKOSCLH-SECBINFHSA-N 0 0 310.329 0.540 50 0 DCAARN COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@H](C)O)C3)cc1 ZINC000008132263 395684101 /nfs/dbraw/zinc/68/41/01/395684101.db2.gz VMZNKNWJKCMAAH-LKFCYVNXSA-N 0 0 317.345 0.526 50 0 DCAARN CC(C)NC(=O)CN1CCN(C[C@@H](O)c2cccs2)CC1 ZINC000085436948 395700586 /nfs/dbraw/zinc/70/05/86/395700586.db2.gz COYMDFSREZRGAA-CYBMUJFWSA-N 0 0 311.451 0.924 50 0 DCAARN O=S(=O)(C1CC1)N1CCN(C[C@H](O)c2ccco2)CC1 ZINC000085467168 395700862 /nfs/dbraw/zinc/70/08/62/395700862.db2.gz LHPOGWNRRUDSON-LBPRGKRZSA-N 0 0 300.380 0.423 50 0 DCAARN O=C(N[C@@H]1C[C@@H](O)[C@@H](CO)C1)c1cc(-c2ccccc2)n[nH]1 ZINC000085468446 395700890 /nfs/dbraw/zinc/70/08/90/395700890.db2.gz UZYPTTZDNVZLMP-TYNCELHUSA-N 0 0 301.346 0.938 50 0 DCAARN O=S(=O)(c1cccs1)N1CCN(C[C@@H](O)C2CC2)CC1 ZINC000085466991 395701234 /nfs/dbraw/zinc/70/12/34/395701234.db2.gz LCQDTENRUHGVGS-GFCCVEGCSA-N 0 0 316.448 0.825 50 0 DCAARN Cc1csc(N2CCN(C(=O)[C@H](C)n3cncn3)CC2)n1 ZINC000030701866 395703988 /nfs/dbraw/zinc/70/39/88/395703988.db2.gz AOMUSLDOHRDNAZ-NSHDSACASA-N 0 0 306.395 0.953 50 0 DCAARN CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)NC)cn2C)CCO1 ZINC000030852162 395704297 /nfs/dbraw/zinc/70/42/97/395704297.db2.gz PFLBRZHVVURJNA-SNVBAGLBSA-N 0 0 315.395 0.184 50 0 DCAARN COC(=O)[C@@H](C)NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O ZINC000036601589 395723851 /nfs/dbraw/zinc/72/38/51/395723851.db2.gz KWWCBFUMEADSTI-LDYMZIIASA-N 0 0 319.317 0.454 50 0 DCAARN Cc1nn(C)cc1C[C@H](C)NC(=O)c1cc(C)nc2ncnn21 ZINC000036619195 395723952 /nfs/dbraw/zinc/72/39/52/395723952.db2.gz BUQLFWZUTBVXTA-VIFPVBQESA-N 0 0 313.365 0.836 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)Cn2ccc3ccccc32)CC1 ZINC000032092406 395708921 /nfs/dbraw/zinc/70/89/21/395708921.db2.gz ZUIBWBLJFCALJR-UHFFFAOYSA-N 0 0 321.402 0.745 50 0 DCAARN O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)N1CCCC1 ZINC000032090423 395709027 /nfs/dbraw/zinc/70/90/27/395709027.db2.gz FJAVPLGFPTVKMX-ZDUSSCGKSA-N 0 0 315.373 0.778 50 0 DCAARN COCCn1c(=O)c2ccccc2nc1C(=O)NC(C)(C)CO ZINC000032094726 395709294 /nfs/dbraw/zinc/70/92/94/395709294.db2.gz PVHCUUPMTPQGSX-UHFFFAOYSA-N 0 0 319.361 0.544 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)NCCNc1ccc(C)nn1 ZINC000036705722 395724201 /nfs/dbraw/zinc/72/42/01/395724201.db2.gz WNJHJRCKRQXKKL-UHFFFAOYSA-N 0 0 311.367 0.780 50 0 DCAARN COc1ccc(C2=CCN(C(=O)[C@H]3CNC(=O)N3)CC2)cc1 ZINC000089438973 395711725 /nfs/dbraw/zinc/71/17/25/395711725.db2.gz PGTHBOVIFMKJKY-CQSZACIVSA-N 0 0 301.346 0.992 50 0 DCAARN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC000089429424 395711730 /nfs/dbraw/zinc/71/17/30/395711730.db2.gz WZJXYLISKFAVPN-NSHDSACASA-N 0 0 305.334 0.270 50 0 DCAARN Cc1nn(C)c2ncc(C(=O)NCCN3CCOCC3)cc12 ZINC000032656328 395711966 /nfs/dbraw/zinc/71/19/66/395711966.db2.gz HVCXZRBSGQALGP-UHFFFAOYSA-N 0 0 303.366 0.339 50 0 DCAARN CS(=O)(=O)c1ccccc1C(=O)NCCCN1CCCC1=O ZINC000032645202 395712006 /nfs/dbraw/zinc/71/20/06/395712006.db2.gz NINGYZXUEZAPRU-UHFFFAOYSA-N 0 0 324.402 0.832 50 0 DCAARN Cc1nn(C)c2c1nnn(CC(=O)N1CCc3ccccc31)c2=O ZINC000032648995 395712015 /nfs/dbraw/zinc/71/20/15/395712015.db2.gz XRXKDBUQZLLSIG-UHFFFAOYSA-N 0 0 324.344 0.423 50 0 DCAARN CCNC(=O)NC(=O)[C@H](C)Nc1ccc(NC(=O)COC)cc1 ZINC000032771663 395713225 /nfs/dbraw/zinc/71/32/25/395713225.db2.gz CRLWZJVIVYFTRX-JTQLQIEISA-N 0 0 322.365 0.918 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)Nc1ccc(NC(=O)COC)cc1 ZINC000032771670 395713335 /nfs/dbraw/zinc/71/33/35/395713335.db2.gz PAFGBDXLVDKPTA-VIFPVBQESA-N 0 0 308.338 0.528 50 0 DCAARN CNC(=O)[C@H]1CCCCN1C(=O)CN(C)C(=O)OC(C)(C)C ZINC000089661707 395713849 /nfs/dbraw/zinc/71/38/49/395713849.db2.gz QAQVWQAQXPPQOX-LLVKDONJSA-N 0 0 313.398 0.980 50 0 DCAARN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC2(CC1)OCCO2 ZINC000032825297 395713923 /nfs/dbraw/zinc/71/39/23/395713923.db2.gz LJKCVTFCOIONMZ-JTQLQIEISA-N 0 0 308.386 0.420 50 0 DCAARN COC(=O)c1cc(NC(=O)[C@H](C)S(C)(=O)=O)ccc1F ZINC000032926202 395714805 /nfs/dbraw/zinc/71/48/05/395714805.db2.gz OGOCNLPPZUZDAL-ZETCQYMHSA-N 0 0 303.311 0.984 50 0 DCAARN Cc1ccc2c(O)c(C(=O)NCC(=O)NC(C)C)cnc2n1 ZINC000032921986 395714830 /nfs/dbraw/zinc/71/48/30/395714830.db2.gz ZNEMECYCDNNQEG-UHFFFAOYSA-N 0 0 302.334 0.898 50 0 DCAARN O=C(NC[C@@]1(O)CCOC1)c1ncccc1OCC(F)(F)F ZINC000089773184 395714974 /nfs/dbraw/zinc/71/49/74/395714974.db2.gz HALNMUIEDZMBBZ-LBPRGKRZSA-N 0 0 320.267 0.904 50 0 DCAARN COC(=O)CCNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000032988586 395715320 /nfs/dbraw/zinc/71/53/20/395715320.db2.gz NIGIADTYGYCPKK-UHFFFAOYSA-N 0 0 315.329 0.585 50 0 DCAARN O=C([C@@H]1COCC(=O)N1Cc1ccccc1)N1CCSCC1 ZINC000089834786 395715764 /nfs/dbraw/zinc/71/57/64/395715764.db2.gz ZRAATQPCCDIZMK-AWEZNQCLSA-N 0 0 320.414 0.989 50 0 DCAARN CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(C)C[C@H]1C ZINC000089938904 395717055 /nfs/dbraw/zinc/71/70/55/395717055.db2.gz OPGKQUVANHPCDW-OCCSQVGLSA-N 0 0 304.394 0.819 50 0 DCAARN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H]1C(N)=O ZINC000033612319 395717845 /nfs/dbraw/zinc/71/78/45/395717845.db2.gz UEFGNPGBLIZISI-SSDOTTSWSA-N 0 0 306.775 0.020 50 0 DCAARN CN1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1 ZINC000036359395 395723228 /nfs/dbraw/zinc/72/32/28/395723228.db2.gz NNCFMYZPUQMKSB-UHFFFAOYSA-N 0 0 306.391 0.808 50 0 DCAARN CNC(=O)NC(=O)CN1CCN(c2ccccc2OC)CC1 ZINC000036390267 395723345 /nfs/dbraw/zinc/72/33/45/395723345.db2.gz XDQZJFALWUYOLC-UHFFFAOYSA-N 0 0 306.366 0.273 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(N)=O)CC2)cc1 ZINC000036389962 395723378 /nfs/dbraw/zinc/72/33/78/395723378.db2.gz SJDVVTXJJQBIHF-GFCCVEGCSA-N 0 0 311.407 0.175 50 0 DCAARN COC[C@H](C)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000028096327 395695784 /nfs/dbraw/zinc/69/57/84/395695784.db2.gz LVOKILKZFOMGOX-NSHDSACASA-N 0 0 318.381 0.492 50 0 DCAARN O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)N1CCCCC1 ZINC000028325113 395696001 /nfs/dbraw/zinc/69/60/01/395696001.db2.gz OYAUYTYDXFXDFT-GFCCVEGCSA-N 0 0 301.412 0.460 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(Cn2cccn2)c1 ZINC000028575302 395696007 /nfs/dbraw/zinc/69/60/07/395696007.db2.gz HGZZNIYVQBRLKK-CQSZACIVSA-N 0 0 319.386 0.848 50 0 DCAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCc1ccccn1 ZINC000028700405 395696209 /nfs/dbraw/zinc/69/62/09/395696209.db2.gz ITDWLNYRIYQKJI-ZIAGYGMSSA-N 0 0 313.357 0.692 50 0 DCAARN CN1CCN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000028901078 395696297 /nfs/dbraw/zinc/69/62/97/395696297.db2.gz UTRGMMPVUFGTRM-UHFFFAOYSA-N 0 0 316.405 0.765 50 0 DCAARN O=C(CN1CCN(C[C@@H](O)c2ccccc2F)CC1)NC1CC1 ZINC000028914654 395696435 /nfs/dbraw/zinc/69/64/35/395696435.db2.gz DTCVIZOSZSFGHH-MRXNPFEDSA-N 0 0 321.396 0.755 50 0 DCAARN Cc1nc2ccccc2c(=O)n1C[C@@H](O)CN1CCOCC1 ZINC000028920519 395696445 /nfs/dbraw/zinc/69/64/45/395696445.db2.gz KBKRTEUREGNSIL-ZDUSSCGKSA-N 0 0 303.362 0.398 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 ZINC000029199436 395697198 /nfs/dbraw/zinc/69/71/98/395697198.db2.gz LEOVIERDXNOWKL-YBJDMEARSA-N 0 0 309.391 0.635 50 0 DCAARN O=C(c1ccc2nncn2c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000084494161 395697862 /nfs/dbraw/zinc/69/78/62/395697862.db2.gz VSEZPIMLDGBFHW-ZIAGYGMSSA-N 0 0 315.377 0.401 50 0 DCAARN C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CCO1 ZINC000029442337 395698270 /nfs/dbraw/zinc/69/82/70/395698270.db2.gz XPVSIAJASCGKQU-BXUZGUMPSA-N 0 0 316.361 0.354 50 0 DCAARN O=C(Cn1ncccc1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000038547216 395732303 /nfs/dbraw/zinc/73/23/03/395732303.db2.gz VNFLISBUHIWDOI-UHFFFAOYSA-N 0 0 316.336 0.731 50 0 DCAARN CS(=O)(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000038589176 395732586 /nfs/dbraw/zinc/73/25/86/395732586.db2.gz AMLDBPKLZXFQCG-UHFFFAOYSA-N 0 0 301.387 0.497 50 0 DCAARN Cc1cc(S(N)(=O)=O)cc(NC(=O)[C@H]2CSCN2)c1C ZINC000037017632 395725803 /nfs/dbraw/zinc/72/58/03/395725803.db2.gz HMSULSGDDYWSLQ-LLVKDONJSA-N 0 0 315.420 0.552 50 0 DCAARN CCCNC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC(C)CC1 ZINC000037170295 395726139 /nfs/dbraw/zinc/72/61/39/395726139.db2.gz MFOSBTKYFMQBSH-CYBMUJFWSA-N 0 0 317.455 0.954 50 0 DCAARN O=C(CCN1C(=O)COc2ccccc21)NC[C@@H]1CCOC1 ZINC000041373200 395736738 /nfs/dbraw/zinc/73/67/38/395736738.db2.gz ODXIEVUSMLPFDC-LBPRGKRZSA-N 0 0 304.346 0.955 50 0 DCAARN C[C@H]1C[C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCO1 ZINC000095455542 395740863 /nfs/dbraw/zinc/74/08/63/395740863.db2.gz YDNPKUFRUJJJMY-CMPLNLGQSA-N 0 0 324.402 0.818 50 0 DCAARN Cc1nnnn1-c1cccc(NC(=O)c2ccc(=O)n(C)n2)c1 ZINC000041984568 395740997 /nfs/dbraw/zinc/74/09/97/395740997.db2.gz DWZQSLQEQCEBCI-UHFFFAOYSA-N 0 0 311.305 0.317 50 0 DCAARN Cc1n[nH]c(C)c1CCC(=O)NCCNC(=O)c1cccnc1 ZINC000096141857 395745980 /nfs/dbraw/zinc/74/59/80/395745980.db2.gz IMZHLTBLIOOLBO-UHFFFAOYSA-N 0 0 315.377 0.900 50 0 DCAARN COCCn1cnnc1CCNC(=O)Nc1cn(C)nc1C ZINC000096138866 395746299 /nfs/dbraw/zinc/74/62/99/395746299.db2.gz KZHHCPNUEHOUKF-UHFFFAOYSA-N 0 0 307.358 0.331 50 0 DCAARN Cn1cc([C@@](C)(O)CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)cn1 ZINC000096437411 395753248 /nfs/dbraw/zinc/75/32/48/395753248.db2.gz BLORXBKFDBNSCX-HOCLYGCPSA-N 0 0 319.336 0.887 50 0 DCAARN CCN(C[C@H]1CCN(S(=O)(=O)N(C)C)C1)CC(F)(F)F ZINC000096449253 395753293 /nfs/dbraw/zinc/75/32/93/395753293.db2.gz XVNKVSBPJQTUKB-SNVBAGLBSA-N 0 0 317.377 0.999 50 0 DCAARN CCc1c(C(=O)N2CCN3C(=O)NC[C@@H]3C2)cnn1CC(C)C ZINC000096484887 395753693 /nfs/dbraw/zinc/75/36/93/395753693.db2.gz VXDOZDREEWTPME-GFCCVEGCSA-N 0 0 319.409 0.951 50 0 DCAARN CN1C[C@H](NC(=O)Nc2ccn(CC(F)F)n2)CCC1=O ZINC000096452286 395754000 /nfs/dbraw/zinc/75/40/00/395754000.db2.gz BPNQZHWJUDTNFJ-MRVPVSSYSA-N 0 0 301.297 0.891 50 0 DCAARN Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CC3CC3)C1)C2 ZINC000097198462 395755643 /nfs/dbraw/zinc/75/56/43/395755643.db2.gz AJSGJWIFTAPWFM-ZIAGYGMSSA-N 0 0 316.405 0.881 50 0 DCAARN CC[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCc3nccn3C2)C1=O ZINC000097198260 395755662 /nfs/dbraw/zinc/75/56/62/395755662.db2.gz HNDPZBCLRNXFEV-BONVTDFDSA-N 0 0 319.365 0.035 50 0 DCAARN NC(=O)[C@H](Nc1ncnc2c1cnn2CCO)c1ccccc1 ZINC000097200241 395755670 /nfs/dbraw/zinc/75/56/70/395755670.db2.gz AYRDHVNHULGLNU-GFCCVEGCSA-N 0 0 312.333 0.457 50 0 DCAARN CC[C@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCc3nccn3C2)C1=O ZINC000097198258 395755684 /nfs/dbraw/zinc/75/56/84/395755684.db2.gz HNDPZBCLRNXFEV-BMIGLBTASA-N 0 0 319.365 0.035 50 0 DCAARN CN(C)c1ncnc2c1CN(CC(=O)NCc1ccco1)CC2 ZINC000097202399 395756006 /nfs/dbraw/zinc/75/60/06/395756006.db2.gz GXCAVFSVNAKAIK-UHFFFAOYSA-N 0 0 315.377 0.810 50 0 DCAARN C[NH+](C)[C@@H]1C[C@@H](CO)N(Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000097244159 395756540 /nfs/dbraw/zinc/75/65/40/395756540.db2.gz QUUCZIJSQGXXCO-KGLIPLIRSA-N 0 0 308.378 0.647 50 0 DCAARN Cn1cc(C(=O)N2CCN(Cc3ccoc3)C[C@@H](O)C2)cn1 ZINC000097323912 395756855 /nfs/dbraw/zinc/75/68/55/395756855.db2.gz DNZQEHSSVRLDTI-CQSZACIVSA-N 0 0 304.350 0.332 50 0 DCAARN C[C@H](CO)NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000097403888 395757697 /nfs/dbraw/zinc/75/76/97/395757697.db2.gz MOQOETYLXARXOJ-SNVBAGLBSA-N 0 0 307.325 0.801 50 0 DCAARN Cc1noc(C)c1CN1CCN(C(=O)CN2CCCC2=O)CC1 ZINC000047091765 395787597 /nfs/dbraw/zinc/78/75/97/395787597.db2.gz QAVJHBABGRFGBR-UHFFFAOYSA-N 0 0 320.393 0.558 50 0 DCAARN O=C([O-])[C@@H]1CN(C(=O)c2ncc[nH]2)CC[N@@H+](C2CCOCC2)C1 ZINC000097610149 395759229 /nfs/dbraw/zinc/75/92/29/395759229.db2.gz HQJLLRDSCWXDFF-NSHDSACASA-N 0 0 322.365 0.047 50 0 DCAARN O=C(NCCCN1CCOCC1)c1ccccc1-c1nn[nH]n1 ZINC000097641862 395759645 /nfs/dbraw/zinc/75/96/45/395759645.db2.gz JNODRONOHCFFLA-UHFFFAOYSA-N 0 0 316.365 0.319 50 0 DCAARN COC[C@@H](c1ccccn1)N(C)C(=O)CCc1nncn1C ZINC000097679994 395759964 /nfs/dbraw/zinc/75/99/64/395759964.db2.gz GEFHPCOMTRDHFU-ZDUSSCGKSA-N 0 0 303.366 0.989 50 0 DCAARN Cn1cc(CC[N@H+](C)Cc2cnc3c(C(=O)[O-])cnn3c2)cn1 ZINC000097674390 395760054 /nfs/dbraw/zinc/76/00/54/395760054.db2.gz LJHMPXGAPVMLTG-UHFFFAOYSA-N 0 0 314.349 0.836 50 0 DCAARN Cc1n[nH]cc1CCCNC(=O)N1CCC(CC(N)=O)CC1 ZINC000045539151 395763903 /nfs/dbraw/zinc/76/39/03/395763903.db2.gz VCRCVWLJGQQRKF-UHFFFAOYSA-N 0 0 307.398 0.948 50 0 DCAARN O=c1c2ccccc2nnn1C[C@@H](O)COCc1ccco1 ZINC000045618557 395764323 /nfs/dbraw/zinc/76/43/23/395764323.db2.gz GHSQAGJYFFFWEK-LLVKDONJSA-N 0 0 301.302 0.962 50 0 DCAARN Cc1ccnn1CCNc1c(=O)c(=O)c1NCc1ccccn1 ZINC000101696926 395766746 /nfs/dbraw/zinc/76/67/46/395766746.db2.gz JXJPDWAEYXJURT-UHFFFAOYSA-N 0 0 311.345 0.907 50 0 DCAARN COC(=O)Cc1cc(=O)n2nc(NCc3cccs3)[nH]c2n1 ZINC000101714991 395767134 /nfs/dbraw/zinc/76/71/34/395767134.db2.gz GLUODPMFNBNGEU-UHFFFAOYSA-N 0 0 319.346 0.807 50 0 DCAARN C[C@@H](CN1CCOCC1)NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000046035661 395769781 /nfs/dbraw/zinc/76/97/81/395769781.db2.gz QTOYWAZGNHJULI-STQMWFEESA-N 0 0 305.444 0.273 50 0 DCAARN CCC[C@@]1(CO)CCCN(C(=O)c2c[nH]c3ncnn3c2=O)C1 ZINC000102412847 395770066 /nfs/dbraw/zinc/77/00/66/395770066.db2.gz HVIPQRKIAROYDO-OAHLLOKOSA-N 0 0 319.365 0.432 50 0 DCAARN O=C(Cn1ccccc1=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000046424158 395776138 /nfs/dbraw/zinc/77/61/38/395776138.db2.gz RTXUZUMCMBOZPQ-CYBMUJFWSA-N 0 0 313.361 0.424 50 0 DCAARN Cc1ccn2c(=O)cc(CN3C(=O)NC(C)(C)C3=O)nc2c1 ZINC000048290884 395812250 /nfs/dbraw/zinc/81/22/50/395812250.db2.gz QMMPJDUUQDTWJT-UHFFFAOYSA-N 0 0 300.318 0.833 50 0 DCAARN Cc1cc(=O)n(CC(=O)NCc2ccc(F)cc2F)c(N)n1 ZINC000049410988 395831996 /nfs/dbraw/zinc/83/19/96/395831996.db2.gz SRAFZQGTZGVATF-UHFFFAOYSA-N 0 0 308.288 0.729 50 0 DCAARN CC(=O)N1CCN(C(=O)c2cnc3c(F)cccc3c2O)CC1 ZINC000049546939 395832537 /nfs/dbraw/zinc/83/25/37/395832537.db2.gz UQXHTNLCTZOTGS-UHFFFAOYSA-N 0 0 317.320 0.972 50 0 DCAARN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1csc(SC)n1 ZINC000215001688 395836559 /nfs/dbraw/zinc/83/65/59/395836559.db2.gz YFTBQGKQPYZFDY-HTQZYQBOSA-N 0 0 322.433 0.407 50 0 DCAARN CN(C)c1ccc(O[C@H]2CCN(S(=O)(=O)C3CC3)C2)nn1 ZINC000225450387 395860541 /nfs/dbraw/zinc/86/05/41/395860541.db2.gz QGVFARNBWTYVIO-JTQLQIEISA-N 0 0 312.395 0.488 50 0 DCAARN Nc1cnn(CC(=O)NC[C@H]2CCCN(c3ccccn3)C2)c1 ZINC000218933147 395843808 /nfs/dbraw/zinc/84/38/08/395843808.db2.gz QGTPDWOARGRGPQ-CYBMUJFWSA-N 0 0 314.393 0.893 50 0 DCAARN CN(C)[C@H](C(=O)NCCc1ncnn1C)c1ccccc1F ZINC000219056782 395844889 /nfs/dbraw/zinc/84/48/89/395844889.db2.gz WMZMLCTVNPZZEJ-AWEZNQCLSA-N 0 0 305.357 0.916 50 0 DCAARN O=S(=O)(N[C@@H]1CCOC[C@H]1OCc1cscn1)C1CC1 ZINC000219456925 395845403 /nfs/dbraw/zinc/84/54/03/395845403.db2.gz QDVWNYQOHDDTLP-VXGBXAGGSA-N 0 0 318.420 0.899 50 0 DCAARN CS(=O)(=O)CCN1CCCn2nc([C@H](O)C3CC3)cc2C1 ZINC000219719136 395846167 /nfs/dbraw/zinc/84/61/67/395846167.db2.gz QVGDEKJTLGCAJO-CQSZACIVSA-N 0 0 313.423 0.577 50 0 DCAARN CCO[C@H]1CN(C(=O)Cc2cnc3c(C)cccn23)C[C@@H]1O ZINC000220300771 395847846 /nfs/dbraw/zinc/84/78/46/395847846.db2.gz NSXZWPYGPQPPBN-KBPBESRZSA-N 0 0 303.362 0.793 50 0 DCAARN CCn1nc(C)c(C(=O)N2CCn3nc(CO)cc3C2)c1C ZINC000220168683 395847898 /nfs/dbraw/zinc/84/78/98/395847898.db2.gz ZMMAHGFTHVARAL-UHFFFAOYSA-N 0 0 303.366 0.865 50 0 DCAARN CN(C)c1cccc(C(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)c1 ZINC000220186843 395848062 /nfs/dbraw/zinc/84/80/62/395848062.db2.gz HEAZAJJNYBPBJZ-HOTGVXAUSA-N 0 0 319.405 0.270 50 0 DCAARN CCc1nc(C)c(CC(=O)NCc2cc(=O)[nH]c(C)n2)c(=O)[nH]1 ZINC000220373257 395848839 /nfs/dbraw/zinc/84/88/39/395848839.db2.gz ZHFXSFWKMBEUPW-UHFFFAOYSA-N 0 0 317.349 0.304 50 0 DCAARN O=C(CCn1cnnn1)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000221179583 395849589 /nfs/dbraw/zinc/84/95/89/395849589.db2.gz HTSLOYQEZIJEEH-AWEZNQCLSA-N 0 0 316.365 0.666 50 0 DCAARN O=C(CCCOc1ccccc1)NCc1c[nH]c(=O)[nH]c1=O ZINC000221296138 395850377 /nfs/dbraw/zinc/85/03/77/395850377.db2.gz BDTLADLPGISJMP-UHFFFAOYSA-N 0 0 303.318 0.539 50 0 DCAARN O=C(CN1CCC(O)CC1)N1CCN(Cc2ccco2)CC1 ZINC000051590539 395852100 /nfs/dbraw/zinc/85/21/00/395852100.db2.gz URSBYFMUWAFSIG-UHFFFAOYSA-N 0 0 307.394 0.381 50 0 DCAARN CCc1c(C)nn(CC(=O)NCc2nncn2CCOC)c1C ZINC000223055618 395853310 /nfs/dbraw/zinc/85/33/10/395853310.db2.gz ORVPNUIAZLJTNV-UHFFFAOYSA-N 0 0 320.397 0.617 50 0 DCAARN NC(=O)CCCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 ZINC000223193773 395854421 /nfs/dbraw/zinc/85/44/21/395854421.db2.gz SMHSCAPCVDYYEM-VXGBXAGGSA-N 0 0 307.350 0.390 50 0 DCAARN CC[C@H](O)c1cc2n(n1)CCN(CC(=O)Nc1cnn(C)c1)C2 ZINC000223829282 395856778 /nfs/dbraw/zinc/85/67/78/395856778.db2.gz XGXXLSBBABMXPO-AWEZNQCLSA-N 0 0 318.381 0.514 50 0 DCAARN CN(C)c1ncccc1CNC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000047594669 395795803 /nfs/dbraw/zinc/79/58/03/395795803.db2.gz YDVPLEMHYLUCFF-NSHDSACASA-N 0 0 312.395 0.134 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Nc2cccnc2)C1 ZINC000047565084 395796152 /nfs/dbraw/zinc/79/61/52/395796152.db2.gz VATNECSOZJCPPO-NSHDSACASA-N 0 0 312.395 0.875 50 0 DCAARN Cc1nnnn1CC(=O)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000123255129 395892940 /nfs/dbraw/zinc/89/29/40/395892940.db2.gz IARIRIFAFYBNJZ-UHFFFAOYSA-N 0 0 302.338 0.387 50 0 DCAARN Cc1ccccc1N1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000054583797 395903206 /nfs/dbraw/zinc/90/32/06/395903206.db2.gz WZKPLEYLKWYUMB-LBPRGKRZSA-N 0 0 316.361 0.242 50 0 DCAARN Cc1noc([C@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)n1 ZINC000054662019 395903679 /nfs/dbraw/zinc/90/36/79/395903679.db2.gz AOHYSANOCSRIHJ-WDEREUQCSA-N 0 0 313.379 0.519 50 0 DCAARN CCCn1nc(C(=O)N[C@H](C(N)=O)c2ccccc2)ccc1=O ZINC000054691780 395904373 /nfs/dbraw/zinc/90/43/73/395904373.db2.gz VPZKAUHQOJSWAS-AWEZNQCLSA-N 0 0 314.345 0.610 50 0 DCAARN COC(=O)NCC(=O)N1CCN(Cc2ccccc2C)CC1 ZINC000055010689 395909084 /nfs/dbraw/zinc/90/90/84/395909084.db2.gz CILFWLOEDDIYEU-UHFFFAOYSA-N 0 0 305.378 0.995 50 0 DCAARN O=C(CCn1cnnn1)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000244811787 395925147 /nfs/dbraw/zinc/92/51/47/395925147.db2.gz SLEXWGRCJZYAOC-RBSFLKMASA-N 0 0 315.377 0.562 50 0 DCAARN O=C(Cn1ncccc1=O)N[C@H](Cn1nccn1)c1ccccc1 ZINC000245130844 395926531 /nfs/dbraw/zinc/92/65/31/395926531.db2.gz VAHYBGZGQLFVRH-CQSZACIVSA-N 0 0 324.344 0.393 50 0 DCAARN CN(C)c1ccc(C(=O)NCc2nnc3c(=O)[nH]ccn23)cc1 ZINC000244947573 395926536 /nfs/dbraw/zinc/92/65/36/395926536.db2.gz DMVPKFLCJXMVRI-UHFFFAOYSA-N 0 0 312.333 0.826 50 0 DCAARN O=C(c1cc(-c2ccco2)n[nH]1)N1CC(N2C(=O)CNC2=O)C1 ZINC000244970183 395926645 /nfs/dbraw/zinc/92/66/45/395926645.db2.gz HNEKFUHWEOLXNS-UHFFFAOYSA-N 0 0 315.289 0.046 50 0 DCAARN COc1nccnc1O[C@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000225495963 395861633 /nfs/dbraw/zinc/86/16/33/395861633.db2.gz TUFMVIDVLJYIGI-NEPJUHHUSA-N 0 0 307.350 0.892 50 0 DCAARN COC1(CNS(=O)(=O)c2cnn(C)c2)Cc2ccccc2C1 ZINC000225721719 395862851 /nfs/dbraw/zinc/86/28/51/395862851.db2.gz HPVJFYLUFHYMPV-UHFFFAOYSA-N 0 0 321.402 0.882 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(CC(=O)N2CCCCCC2)C1 ZINC000052669129 395867289 /nfs/dbraw/zinc/86/72/89/395867289.db2.gz TYMQYAMQVQOXHL-CYBMUJFWSA-N 0 0 317.455 0.403 50 0 DCAARN Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1CCN(C)CC1 ZINC000227161598 395867842 /nfs/dbraw/zinc/86/78/42/395867842.db2.gz SNDXTYMGHJGKFG-UHFFFAOYSA-N 0 0 311.363 0.366 50 0 DCAARN CN(CC(N)=O)C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000053054794 395875540 /nfs/dbraw/zinc/87/55/40/395875540.db2.gz NZRMHGMWFPOZQY-MRVPVSSYSA-N 0 0 311.288 0.261 50 0 DCAARN C[C@@H](NC(=O)CN1CCC[C@@H](CNS(C)(=O)=O)C1)C1CC1 ZINC000229778533 395876505 /nfs/dbraw/zinc/87/65/05/395876505.db2.gz GJWMHOGELKNHPO-NEPJUHHUSA-N 0 0 317.455 0.162 50 0 DCAARN CC(=O)N1CCCN(C(=O)c2nc3nc(C)cc(C)n3n2)CC1 ZINC000053355581 395880874 /nfs/dbraw/zinc/88/08/74/395880874.db2.gz LFYVUMVNWPLKPA-UHFFFAOYSA-N 0 0 316.365 0.436 50 0 DCAARN CCn1cnnc1CNS(=O)(=O)c1ccnc(Cl)c1 ZINC000230752737 395881759 /nfs/dbraw/zinc/88/17/59/395881759.db2.gz FXGSKRNCQDWXGG-UHFFFAOYSA-N 0 0 301.759 0.825 50 0 DCAARN COc1ccnc(N2CCN(C(=O)CCCNC(C)=O)CC2)n1 ZINC000057253851 395941679 /nfs/dbraw/zinc/94/16/79/395941679.db2.gz RYJFIBRDYBSQLX-UHFFFAOYSA-N 0 0 321.381 0.050 50 0 DCAARN COC(=O)c1ccc(N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1 ZINC000058266055 395952383 /nfs/dbraw/zinc/95/23/83/395952383.db2.gz YDUIHHSPKNTWEI-LLVKDONJSA-N 0 0 312.391 0.943 50 0 DCAARN O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccccn1 ZINC000060065291 395959660 /nfs/dbraw/zinc/95/96/60/395959660.db2.gz XDHRKQDVCQBNPM-NSHDSACASA-N 0 0 316.313 0.980 50 0 DCAARN C=CC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000149139758 395969271 /nfs/dbraw/zinc/96/92/71/395969271.db2.gz BQGZHRWFILQLSK-UHFFFAOYSA-N 0 0 324.358 0.133 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@H]2c2ccco2)CC1 ZINC000248288862 395984462 /nfs/dbraw/zinc/98/44/62/395984462.db2.gz IOZDNWHMYFULSW-KFWWJZLASA-N 0 0 322.405 0.925 50 0 DCAARN COCCNS(=O)(=O)c1cc2c(cc1C)CCN2C(C)=O ZINC000064755799 395988544 /nfs/dbraw/zinc/98/85/44/395988544.db2.gz MOFAIQLDJBYGLD-UHFFFAOYSA-N 0 0 312.391 0.829 50 0 DCAARN COC(=O)[C@H](C)NC(=O)NCc1ccc2c(c1)CCN2C(C)=O ZINC000064968946 395989935 /nfs/dbraw/zinc/98/99/35/395989935.db2.gz CKAGRVLLGPKVPS-JTQLQIEISA-N 0 0 319.361 0.956 50 0 DCAARN COc1ccc(CN2CC[C@@H](NC(=O)c3cnccn3)C2)cn1 ZINC000065267314 395991003 /nfs/dbraw/zinc/99/10/03/395991003.db2.gz MPHKQUWYTYGUHT-CYBMUJFWSA-N 0 0 313.361 0.885 50 0 DCAARN COc1ccc(CN2CC[C@@H](NS(=O)(=O)C3CC3)C2)cn1 ZINC000065267420 395991513 /nfs/dbraw/zinc/99/15/13/395991513.db2.gz KKGZOEVRUPRBFH-GFCCVEGCSA-N 0 0 311.407 0.746 50 0 DCAARN Cc1cc(N2CCN(C(=O)C3CCC3)CC2)nc2nncn21 ZINC000065311736 395992358 /nfs/dbraw/zinc/99/23/58/395992358.db2.gz HJSIBORHNMCNQI-UHFFFAOYSA-N 0 0 300.366 0.881 50 0 DCAARN CCn1cnnc1CCNc1nccc(N2CCC[C@@H](O)C2)n1 ZINC000065386276 395992859 /nfs/dbraw/zinc/99/28/59/395992859.db2.gz RZKCSJXSZCOMIF-GFCCVEGCSA-N 0 0 317.397 0.704 50 0 DCAARN Cn1ncc(N2CCC[C@@H](C(=O)NCc3ccco3)C2)cc1=O ZINC000065313822 395992933 /nfs/dbraw/zinc/99/29/33/395992933.db2.gz FZVRECXMUQMYAC-GFCCVEGCSA-N 0 0 316.361 0.906 50 0 DCAARN COc1cncc([C@@H](NS(=O)(=O)N(C)C)[C@H]2C[C@@H](O)C2)c1 ZINC000252527469 396022664 /nfs/dbraw/zinc/02/26/64/396022664.db2.gz CPVJODDRCGLFPY-NDMJEZRESA-N 0 0 315.395 0.298 50 0 DCAARN COC(=O)C=c1sc(=CC(=O)Nc2ccc(C)cc2)[nH]c1=O ZINC000252670514 396024126 /nfs/dbraw/zinc/02/41/26/396024126.db2.gz KWDKDDCGCLZTOO-UHFFFAOYSA-N 0 0 318.354 0.118 50 0 DCAARN COc1ccc(C(=O)N2C[C@@H](CO)[C@H](NC(C)=O)C2)c(OC)c1 ZINC000253402147 396027233 /nfs/dbraw/zinc/02/72/33/396027233.db2.gz GBOIYWNZMBTPSR-SMDDNHRTSA-N 0 0 322.361 0.273 50 0 DCAARN CCOc1ccc(C(=O)N2CCn3c(C(N)=O)cnc3C2)o1 ZINC000067514588 396027714 /nfs/dbraw/zinc/02/77/14/396027714.db2.gz MNWLPIRUJAGXSI-UHFFFAOYSA-N 0 0 304.306 0.630 50 0 DCAARN O=C(c1c[nH]nc1-n1cnnn1)N1CCC[C@H]1c1ccccn1 ZINC000067587485 396028593 /nfs/dbraw/zinc/02/85/93/396028593.db2.gz GOJHAEKRKDPOLK-LBPRGKRZSA-N 0 0 310.321 0.758 50 0 DCAARN O=C(CN1CC(=O)NC1=O)NCc1nc(C2CCCCC2)no1 ZINC000067587317 396028622 /nfs/dbraw/zinc/02/86/22/396028622.db2.gz WMCDUFAKEUPHGS-UHFFFAOYSA-N 0 0 321.337 0.285 50 0 DCAARN CCn1ncnc1CN1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000253432339 396028841 /nfs/dbraw/zinc/02/88/41/396028841.db2.gz JTCPSDLWKKPOCP-NSHDSACASA-N 0 0 319.369 0.513 50 0 DCAARN CCN(CCOCCO)C(=O)c1ccnc(-n2ccnc2)c1 ZINC000253629979 396031312 /nfs/dbraw/zinc/03/13/12/396031312.db2.gz ICHBSGUVARPAFR-UHFFFAOYSA-N 0 0 304.350 0.738 50 0 DCAARN CC(=O)c1cccc(OCc2cc(C(=O)NCCO)[nH]n2)c1 ZINC000067713509 396031655 /nfs/dbraw/zinc/03/16/55/396031655.db2.gz ARTKFSMNPFYFQS-UHFFFAOYSA-N 0 0 303.318 0.913 50 0 DCAARN C[N@@H+]1CCN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@@H]1C(=O)[O-] ZINC000067726651 396031757 /nfs/dbraw/zinc/03/17/57/396031757.db2.gz QZDFUEOEUBRTCR-CYBMUJFWSA-N 0 0 314.345 0.918 50 0 DCAARN Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C(=O)[O-])C1 ZINC000067743548 396032589 /nfs/dbraw/zinc/03/25/89/396032589.db2.gz LIMIFZMREFYNNR-LRDDRELGSA-N 0 0 320.393 0.434 50 0 DCAARN CNC(=O)CN(C)C(=O)[C@H]1CCCCc2nnc(C(C)C)n21 ZINC000257174665 396034126 /nfs/dbraw/zinc/03/41/26/396034126.db2.gz JIVXHAYBBVFCHE-LLVKDONJSA-N 0 0 307.398 0.873 50 0 DCAARN OCC(CO)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000067975635 396041373 /nfs/dbraw/zinc/04/13/73/396041373.db2.gz HRWKCVAQPNBHNN-UHFFFAOYSA-N 0 0 318.329 0.782 50 0 DCAARN Cn1cc(S(=O)(=O)N[C@H]2CC[C@H](CO)CC2)nc1Cl ZINC000152219863 396003357 /nfs/dbraw/zinc/00/33/57/396003357.db2.gz SSPOQODWNFBCQD-DTORHVGOSA-N 0 0 307.803 0.903 50 0 DCAARN C[C@@H]1CCc2sc(C(=O)N3C[C@@H](O)C[C@H]3C(N)=O)cc2C1 ZINC000252477529 396020272 /nfs/dbraw/zinc/02/02/72/396020272.db2.gz QAIWWQKQSUDIKB-MIMYLULJSA-N 0 0 308.403 0.934 50 0 DCAARN O=C([C@H]1CCS(=O)(=O)C1)N1CCCC[C@@H]1Cn1cccn1 ZINC000069709368 396087818 /nfs/dbraw/zinc/08/78/18/396087818.db2.gz ZVPPBTCABTXUDH-QWHCGFSZSA-N 0 0 311.407 0.699 50 0 DCAARN Cc1noc([C@@H]2CCCN(Cc3nc(N)nc(N(C)C)n3)C2)n1 ZINC000069705917 396088005 /nfs/dbraw/zinc/08/80/05/396088005.db2.gz HLBVRIMHVRYLAB-SNVBAGLBSA-N 0 0 318.385 0.591 50 0 DCAARN Cn1nc2n(c1=O)CC[C@H](NC(=O)c1cc(C3CC3)n[nH]1)CC2 ZINC000169783457 396091967 /nfs/dbraw/zinc/09/19/67/396091967.db2.gz IYFXQTZJSFLSRG-SNVBAGLBSA-N 0 0 316.365 0.317 50 0 DCAARN O=C(C[C@@H]1CCCN(c2cn[nH]c(=O)c2)C1)N1CCSCC1 ZINC000169791454 396093448 /nfs/dbraw/zinc/09/34/48/396093448.db2.gz JCBLPYHDYSDQJP-LBPRGKRZSA-N 0 0 322.434 0.952 50 0 DCAARN CCc1nnc2n1CCN(C(=O)c1ccnc(N(C)C)c1)C2 ZINC000069875490 396093558 /nfs/dbraw/zinc/09/35/58/396093558.db2.gz LOYQILCRYJBILH-UHFFFAOYSA-N 0 0 300.366 0.958 50 0 DCAARN O=C(NCCS(=O)(=O)NCC1CCC1)C1=CCOCC1 ZINC000170597857 396095103 /nfs/dbraw/zinc/09/51/03/396095103.db2.gz KVEHZQIKONCRMK-UHFFFAOYSA-N 0 0 302.396 0.169 50 0 DCAARN CN(CCOc1ccc(F)cc1)S(=O)(=O)c1cnnn1C ZINC000170603698 396095343 /nfs/dbraw/zinc/09/53/43/396095343.db2.gz HNPFLMLLLYMEHA-UHFFFAOYSA-N 0 0 314.342 0.654 50 0 DCAARN C[C@H](OC(=O)c1cccc2n[nH]nc21)C(=O)Nc1ncccn1 ZINC000170610702 396095492 /nfs/dbraw/zinc/09/54/92/396095492.db2.gz XDUHTUUETFDVIY-QMMMGPOBSA-N 0 0 312.289 0.932 50 0 DCAARN Cc1ccccc1[C@@H](NC(=O)NC(C(N)=O)C(N)=O)C(C)C ZINC000069960987 396096096 /nfs/dbraw/zinc/09/60/96/396096096.db2.gz LTMPVCWAKNNNNU-NSHDSACASA-N 0 0 306.366 0.331 50 0 DCAARN O=C(CN1CSCC1=O)N1CCCC[C@@H]1Cn1cccn1 ZINC000069970231 396096281 /nfs/dbraw/zinc/09/62/81/396096281.db2.gz JWWIDJQCIGFRQJ-GFCCVEGCSA-N 0 0 308.407 0.797 50 0 DCAARN Cc1ccc(F)c(S(=O)(=O)N2CCc3nc[nH]c(=O)c3C2)c1 ZINC000170685856 396096761 /nfs/dbraw/zinc/09/67/61/396096761.db2.gz ICDXQRNUQTWZCN-UHFFFAOYSA-N 0 0 323.349 0.964 50 0 DCAARN CNC(=O)Cn1nnc([C@H](NC(=O)c2ccccc2)C(C)C)n1 ZINC000070005450 396097117 /nfs/dbraw/zinc/09/71/17/396097117.db2.gz YLNPKVHSYGPMKY-CYBMUJFWSA-N 0 0 316.365 0.546 50 0 DCAARN O=S(=O)(CCNc1cncc(Cl)n1)N1CCSCC1 ZINC000070038049 396099012 /nfs/dbraw/zinc/09/90/12/396099012.db2.gz KSQYLCMUHPCUOQ-UHFFFAOYSA-N 0 0 322.843 0.921 50 0 DCAARN O=C(c1ccnc(Cl)c1)N1CCC2(CC1)NCCNC2=O ZINC000071315082 396112479 /nfs/dbraw/zinc/11/24/79/396112479.db2.gz WHUFUAUYJRRTGO-UHFFFAOYSA-N 0 0 308.769 0.429 50 0 DCAARN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)C ZINC000071385264 396113600 /nfs/dbraw/zinc/11/36/00/396113600.db2.gz LLDMEVBKYPIAMI-SNVBAGLBSA-N 0 0 300.380 0.938 50 0 DCAARN CN1C(=O)CCc2cc(C(=O)N[C@@]3(CCO)CCOC3)ccc21 ZINC000278237727 396114026 /nfs/dbraw/zinc/11/40/26/396114026.db2.gz YZPUHRGHVQGAGA-KRWDZBQOSA-N 0 0 318.373 0.867 50 0 DCAARN C[C@@H](NC(N)=O)C(=O)N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000071792354 396115295 /nfs/dbraw/zinc/11/52/95/396115295.db2.gz LVGSKXDTGNWRNO-GFCCVEGCSA-N 0 0 324.425 0.684 50 0 DCAARN O=c1ccc(-n2cncn2)nn1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000071817136 396116307 /nfs/dbraw/zinc/11/63/07/396116307.db2.gz UJYKBDURWXERMH-QWHCGFSZSA-N 0 0 316.365 0.425 50 0 DCAARN CCO[C@H]1C[C@@H]1C(=O)N1CCN(c2nccc(OC)n2)CC1 ZINC000071819948 396116384 /nfs/dbraw/zinc/11/63/84/396116384.db2.gz LIVXEFXIURBVLD-RYUDHWBXSA-N 0 0 306.366 0.559 50 0 DCAARN O=C(CN1CCC(Oc2ccccc2)CC1)N1CCNC(=O)C1 ZINC000071824919 396116838 /nfs/dbraw/zinc/11/68/38/396116838.db2.gz WKQMMVBXBDKJNP-UHFFFAOYSA-N 0 0 317.389 0.488 50 0 DCAARN CCO[C@H]1CCCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000071825550 396116952 /nfs/dbraw/zinc/11/69/52/396116952.db2.gz IANMAPBNLCONIQ-LBPRGKRZSA-N 0 0 323.393 0.879 50 0 DCAARN O=C(c1ccc(N2CCOCC2)nc1)N1CCN(C2CC2)CC1 ZINC000071836709 396117606 /nfs/dbraw/zinc/11/76/06/396117606.db2.gz OLXWOWCLFKDWMU-UHFFFAOYSA-N 0 0 316.405 0.838 50 0 DCAARN Cc1n[nH]c(C(=O)N2CCNC(=O)CC2)c1Br ZINC000071839475 396117724 /nfs/dbraw/zinc/11/77/24/396117724.db2.gz JZXMOICYARRKHD-UHFFFAOYSA-N 0 0 301.144 0.443 50 0 DCAARN O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc[nH]c1=O ZINC000071841801 396118400 /nfs/dbraw/zinc/11/84/00/396118400.db2.gz PWZUDOCGVZPEQG-AWEZNQCLSA-N 0 0 311.341 0.906 50 0 DCAARN Cc1nccn1-c1cc(CNC(=O)C2=NNC(=O)CC2)ccn1 ZINC000071851695 396118910 /nfs/dbraw/zinc/11/89/10/396118910.db2.gz QPNYEOMKTVVNJP-UHFFFAOYSA-N 0 0 312.333 0.458 50 0 DCAARN Cc1nnc2ccc(N3CCN([C@H]4C[C@H](C)OC4=O)CC3)nn12 ZINC000071863790 396119355 /nfs/dbraw/zinc/11/93/55/396119355.db2.gz OLEQIGRMHQVMRX-JQWIXIFHSA-N 0 0 316.365 0.259 50 0 DCAARN CN(C)c1cc2c(nn1)CCN(C(=O)c1cn3cccnc3n1)C2 ZINC000071860217 396119615 /nfs/dbraw/zinc/11/96/15/396119615.db2.gz DVYSQDRNZORCOX-UHFFFAOYSA-N 0 0 323.360 0.784 50 0 DCAARN c1cnnc(N2CCC[C@@H](NCc3nnnn3C3CC3)C2)c1 ZINC000071859695 396119625 /nfs/dbraw/zinc/11/96/25/396119625.db2.gz VLMUWXIPONLIFJ-LLVKDONJSA-N 0 0 300.370 0.557 50 0 DCAARN NC(=O)NC(=O)CCN1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000072291806 396129984 /nfs/dbraw/zinc/12/99/84/396129984.db2.gz LXCYLGUWPJALRX-LLVKDONJSA-N 0 0 320.397 0.726 50 0 DCAARN COC[C@@](C)(NC(=O)COc1cccc(C(C)=O)c1)C(N)=O ZINC000072281139 396130121 /nfs/dbraw/zinc/13/01/21/396130121.db2.gz CRXUGKYCGZHWBB-OAHLLOKOSA-N 0 0 308.334 0.275 50 0 DCAARN CC(C)Cc1nc(CN2CCc3nn(C)c(=O)cc3C2)no1 ZINC000072302455 396130645 /nfs/dbraw/zinc/13/06/45/396130645.db2.gz OGQDFWSXOHIOSH-UHFFFAOYSA-N 0 0 303.366 0.920 50 0 DCAARN CCc1cc(N[C@H](C)C(=O)N2CCOCC2)n2ncnc2n1 ZINC000069421116 396078104 /nfs/dbraw/zinc/07/81/04/396078104.db2.gz JZZVRLBMFVCSPK-SNVBAGLBSA-N 0 0 304.354 0.346 50 0 DCAARN CC(C)c1nc2c(n1C)CCN(CCCNS(C)(=O)=O)C2 ZINC000069493334 396079982 /nfs/dbraw/zinc/07/99/82/396079982.db2.gz WIDMUWHQDGWEGD-UHFFFAOYSA-N 0 0 314.455 0.841 50 0 DCAARN CCc1nnc2n1CCN(C(=O)[C@@H](C)OC[C@@H]1CCCO1)C2 ZINC000069485225 396080060 /nfs/dbraw/zinc/08/00/60/396080060.db2.gz JNAAELHIZMEKNO-NEPJUHHUSA-N 0 0 308.382 0.767 50 0 DCAARN Cc1nnc2n1CCN(CC(=O)NCCc1ccsc1)C2 ZINC000069486196 396080333 /nfs/dbraw/zinc/08/03/33/396080333.db2.gz OQXNGAIQPKXVPZ-UHFFFAOYSA-N 0 0 305.407 0.823 50 0 DCAARN O=C(CN1CCC[C@H]1Cn1cncn1)NCc1ccccn1 ZINC000069621002 396084748 /nfs/dbraw/zinc/08/47/48/396084748.db2.gz DFZLROHBNJSYOT-AWEZNQCLSA-N 0 0 300.366 0.454 50 0 DCAARN Cn1cc(N2CCC[C@@H](NC(=O)NC[C@H](O)C3CC3)C2)cn1 ZINC000074614764 396168830 /nfs/dbraw/zinc/16/88/30/396168830.db2.gz WIQQHEJRRDWTCN-OCCSQVGLSA-N 0 0 307.398 0.459 50 0 DCAARN Cc1ccc(C(=O)NC2CCN(c3ncccn3)CC2)c(=O)[nH]1 ZINC000075119937 396176847 /nfs/dbraw/zinc/17/68/47/396176847.db2.gz GMJHKMGVVVXQTD-UHFFFAOYSA-N 0 0 313.361 0.872 50 0 DCAARN Cc1cc(C)n(-c2ccc(-c3noc(Cn4cnnn4)n3)cn2)n1 ZINC000075609979 396183152 /nfs/dbraw/zinc/18/31/52/396183152.db2.gz SMNDJTVDBBWSLF-UHFFFAOYSA-N 0 0 323.320 0.969 50 0 DCAARN O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1ccc(=O)[nH]c1 ZINC000075675164 396185472 /nfs/dbraw/zinc/18/54/72/396185472.db2.gz MKNOAYOTPHZRNN-CYBMUJFWSA-N 0 0 315.329 0.889 50 0 DCAARN Cc1nsc(N2CCCN(CC(=O)N(C)C3CC3)CC2)n1 ZINC000075968060 396191108 /nfs/dbraw/zinc/19/11/08/396191108.db2.gz GVLAISWJBADDNF-UHFFFAOYSA-N 0 0 309.439 0.979 50 0 DCAARN COc1ccnc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000076044722 396193012 /nfs/dbraw/zinc/19/30/12/396193012.db2.gz LOQGRXVNRHOVRT-GFCCVEGCSA-N 0 0 303.322 0.730 50 0 DCAARN Cc1noc(CCCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000076052239 396194595 /nfs/dbraw/zinc/19/45/95/396194595.db2.gz UYBHZGUCXBRHMJ-OCCSQVGLSA-N 0 0 322.409 0.880 50 0 DCAARN Cc1cc(OCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)no1 ZINC000076053939 396195006 /nfs/dbraw/zinc/19/50/06/396195006.db2.gz QBFQAGYRNUJDKE-WCQYABFASA-N 0 0 309.366 0.541 50 0 DCAARN Cc1nc(N2CCN(CC(=O)N3CCOCC3)CC2)sc1C ZINC000078876126 396256182 /nfs/dbraw/zinc/25/61/82/396256182.db2.gz MZSAZEAPHISQRA-UHFFFAOYSA-N 0 0 324.450 0.741 50 0 DCAARN COC(=O)[C@@H](NC(=O)CN1CCCNC1=O)c1ccccc1F ZINC000079094287 396261109 /nfs/dbraw/zinc/26/11/09/396261109.db2.gz RJXSJZSXVXIYIN-ZDUSSCGKSA-N 0 0 323.324 0.571 50 0 DCAARN C[C@H]1CN=C(N2CCN(C[C@H](O)Cn3cccn3)CC2)S1 ZINC000079497137 396265734 /nfs/dbraw/zinc/26/57/34/396265734.db2.gz HDPNWYWAENKUIG-STQMWFEESA-N 0 0 309.439 0.353 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1csc(NC2CC2)n1 ZINC000079487335 396265908 /nfs/dbraw/zinc/26/59/08/396265908.db2.gz BQDHHYNMTKDNKQ-QMMMGPOBSA-N 0 0 301.393 0.634 50 0 DCAARN CC(C)OC(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 ZINC000077299771 396218166 /nfs/dbraw/zinc/21/81/66/396218166.db2.gz DSEKPUPNFKCOTG-ZDUSSCGKSA-N 0 0 324.381 0.510 50 0 DCAARN CCN1CC[C@H]2OCCN(S(=O)(=O)c3ccco3)[C@H]2C1 ZINC000292902603 396575544 /nfs/dbraw/zinc/57/55/44/396575544.db2.gz WEWFVNVFXURVJR-NWDGAFQWSA-N 0 0 300.380 0.763 50 0 DCAARN CCOCCC(=O)NCC[C@H]1CCCCN1S(C)(=O)=O ZINC000584887416 396632073 /nfs/dbraw/zinc/63/20/73/396632073.db2.gz HSOPNUNRQJAMQP-GFCCVEGCSA-N 0 0 306.428 0.733 50 0 DCAARN O=C(C1CCCC1)N1CCC(C(=O)N2CCCNC(=O)C2)CC1 ZINC000584891654 396634261 /nfs/dbraw/zinc/63/42/61/396634261.db2.gz KFMJOKKKNYBPHU-UHFFFAOYSA-N 0 0 321.421 0.764 50 0 DCAARN Cc1nc(C)c(CC(=O)N[C@@H]2CCc3c[nH]nc3C2)c(=O)[nH]1 ZINC000584894493 396635048 /nfs/dbraw/zinc/63/50/48/396635048.db2.gz WOCGBIZAGUQLOH-LLVKDONJSA-N 0 0 301.350 0.738 50 0 DCAARN Cc1n[nH]c(C)c1CCCN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000584897084 396635682 /nfs/dbraw/zinc/63/56/82/396635682.db2.gz QAQJYBLWTFZHDQ-UHFFFAOYSA-N 0 0 319.365 0.531 50 0 DCAARN O=C(NCCC(=O)N1CCCC1)NC[C@H](O)Cc1ccccc1 ZINC000584901833 396636883 /nfs/dbraw/zinc/63/68/83/396636883.db2.gz HVUFHBMTCVDIBH-OAHLLOKOSA-N 0 0 319.405 0.902 50 0 DCAARN CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)C1CC(=O)C1 ZINC000584903835 396637135 /nfs/dbraw/zinc/63/71/35/396637135.db2.gz JNFNRPJPZQVNDO-LLVKDONJSA-N 0 0 302.396 0.286 50 0 DCAARN CCS(=O)(=O)[C@@H](C)C(=O)NCCc1noc(C(C)C)n1 ZINC000584902103 396637313 /nfs/dbraw/zinc/63/73/13/396637313.db2.gz IURBVHYYFONRBV-VIFPVBQESA-N 0 0 303.384 0.675 50 0 DCAARN CCc1ccccc1S(=O)(=O)N1CCn2nnc(CO)c2C1 ZINC000585139899 396641408 /nfs/dbraw/zinc/64/14/08/396641408.db2.gz HOHQCMJGHDERJA-UHFFFAOYSA-N 0 0 322.390 0.537 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)N2CC[C@H](c3ncc[nH]3)C2)c[nH]1 ZINC000585135059 396641478 /nfs/dbraw/zinc/64/14/78/396641478.db2.gz VTLQAYCKPRNTOJ-VIFPVBQESA-N 0 0 324.362 0.703 50 0 DCAARN CN1CCO[C@H](CN(C(=O)[C@H]2CCCO2)c2nccs2)C1 ZINC000299754264 396714288 /nfs/dbraw/zinc/71/42/88/396714288.db2.gz VVJPWRNMYJPYQS-NWDGAFQWSA-N 0 0 311.407 0.986 50 0 DCAARN COc1ccc(CC(=O)N2CC(CN3C(=O)CCC3=O)C2)cc1 ZINC000618255400 396942561 /nfs/dbraw/zinc/94/25/61/396942561.db2.gz CCXLXVXDUZGPEH-UHFFFAOYSA-N 0 0 316.357 0.845 50 0 DCAARN O=C(C1=CCCCO1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000366173012 397346896 /nfs/dbraw/zinc/34/68/96/397346896.db2.gz XAMCLKGAVGUBBN-LBPRGKRZSA-N 0 0 314.407 0.707 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCn3c(n[nH]c3=O)C2)c(C)c1 ZINC000253410427 292178485 /nfs/dbraw/zinc/17/84/85/292178485.db2.gz NILJLZIUUMTIDA-UHFFFAOYSA-N 0 0 308.363 0.393 50 0 DCAARN C[C@H](C(N)=O)N(C)C(=O)CN1c2ccccc2SCC1=O ZINC000095993427 289392898 /nfs/dbraw/zinc/39/28/98/289392898.db2.gz HEACATUZMRTKIM-SECBINFHSA-N 0 0 307.375 0.458 50 0 DCAARN COCCC[C@@]1(C(=O)[O-])CCC[N@H+](CCS(C)(=O)=O)C1 ZINC000091713920 292379189 /nfs/dbraw/zinc/37/91/89/292379189.db2.gz IUANLKFLMKJDTD-ZDUSSCGKSA-N 0 0 307.412 0.624 50 0 DCAARN Cc1cc(CN2CCN(CCCS(C)(=O)=O)CC2)no1 ZINC000171374464 158381746 /nfs/dbraw/zinc/38/17/46/158381746.db2.gz GVDHRIJBLULBOA-UHFFFAOYSA-N 0 0 301.412 0.535 50 0 DCAARN Cc1nc2n(n1)C[C@@H](NC(=O)c1ccc(C(N)=O)s1)CC2 ZINC000171459570 158383494 /nfs/dbraw/zinc/38/34/94/158383494.db2.gz RIKKJBZFYIHEPM-QMMMGPOBSA-N 0 0 305.363 0.492 50 0 DCAARN CCc1nnc(CN2C(=O)N[C@](CC)(c3cnn(C)c3)C2=O)o1 ZINC000328793186 159029593 /nfs/dbraw/zinc/02/95/93/159029593.db2.gz RSHOWRJUAQQMMJ-CQSZACIVSA-N 0 0 318.337 0.927 50 0 DCAARN O=C([C@H]1CCCCC(=O)N1)N1CCN(c2nccs2)CC1 ZINC000193737763 304422946 /nfs/dbraw/zinc/42/29/46/304422946.db2.gz JPLXGUIFWRMWPR-LLVKDONJSA-N 0 0 308.407 0.851 50 0 DCAARN CCn1cc(C(=O)N(C)[C@@H]2COC[C@H]2O)c(-c2cnn(C)c2)n1 ZINC000376451063 159858314 /nfs/dbraw/zinc/85/83/14/159858314.db2.gz TZPFAKOENDVLFE-CHWSQXEVSA-N 0 0 319.365 0.135 50 0 DCAARN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)C(=O)OC)cc1 ZINC000181042615 287056157 /nfs/dbraw/zinc/05/61/57/287056157.db2.gz PSBJUSMRMAQOQD-UWVGGRQHSA-N 0 0 300.380 0.807 50 0 DCAARN NS(=O)(=O)N1CCC(C(=O)Nc2ccc3n[nH]cc3c2)CC1 ZINC000193388715 287060491 /nfs/dbraw/zinc/06/04/91/287060491.db2.gz SHVZOZIOKBYRER-UHFFFAOYSA-N 0 0 323.378 0.417 50 0 DCAARN CC[C@@H]1CN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CCO1 ZINC000065612591 287167199 /nfs/dbraw/zinc/16/71/99/287167199.db2.gz ZHVXANXDHORJFT-VXGBXAGGSA-N 0 0 304.412 0.438 50 0 DCAARN CC[C@H](C)NC(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C ZINC000007024297 415136107 /nfs/dbraw/zinc/13/61/07/415136107.db2.gz XCCBXNUPCSALDH-VIFPVBQESA-N 0 0 316.427 0.665 50 0 DCAARN CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)N2CCNC2=O)n1 ZINC000007062429 415138271 /nfs/dbraw/zinc/13/82/71/415138271.db2.gz ISAJYYBEIWEHRE-MRVPVSSYSA-N 0 0 310.379 0.755 50 0 DCAARN CN1C(=O)C(=O)N(CC(=O)N(C2=CCCCC2)C2CC2)C1=O ZINC000007471041 415140919 /nfs/dbraw/zinc/14/09/19/415140919.db2.gz MJPCMCMOYMKSHO-UHFFFAOYSA-N 0 0 305.334 0.856 50 0 DCAARN COc1cccc(CNC(=O)CN(C)CC(=O)NC(C)C)c1 ZINC000007794884 415144176 /nfs/dbraw/zinc/14/41/76/415144176.db2.gz NQRLVVMAEVKBNV-UHFFFAOYSA-N 0 0 307.394 0.768 50 0 DCAARN CC[C@@H]1CN(CCOc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000027116996 415169258 /nfs/dbraw/zinc/16/92/58/415169258.db2.gz IXHZFTTYPUEYTD-GFCCVEGCSA-N 0 0 314.407 0.824 50 0 DCAARN Cc1ccccc1CCNC(=O)CS(=O)(=O)c1nncn1C ZINC000040539973 415196771 /nfs/dbraw/zinc/19/67/71/415196771.db2.gz JOVFGBWACXAQMB-UHFFFAOYSA-N 0 0 322.390 0.256 50 0 DCAARN COc1cccc(OCCNS(=O)(=O)c2cnn(C)c2)c1 ZINC000040527975 415199079 /nfs/dbraw/zinc/19/90/79/415199079.db2.gz IFGKOWHUYCCLJR-UHFFFAOYSA-N 0 0 311.363 0.786 50 0 DCAARN Cc1cc(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)on1 ZINC000044911394 415232622 /nfs/dbraw/zinc/23/26/22/415232622.db2.gz PDLQHENTSJPSID-OLZOCXBDSA-N 0 0 309.366 0.450 50 0 DCAARN CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)COC)cc1 ZINC000044948555 415234427 /nfs/dbraw/zinc/23/44/27/415234427.db2.gz ZJACEARGYXZDAK-JTQLQIEISA-N 0 0 315.395 0.429 50 0 DCAARN C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cn2[n-]c(=O)ccc2=O)C1 ZINC000044952624 415237802 /nfs/dbraw/zinc/23/78/02/415237802.db2.gz VFDBBCALHWJBOJ-STQMWFEESA-N 0 0 322.409 0.433 50 0 DCAARN C[C@H](CNC(=O)Nc1ccc(N(C)C)nc1)N1CCOCC1 ZINC000044951562 415240599 /nfs/dbraw/zinc/24/05/99/415240599.db2.gz DLMQQRGECZWQEF-GFCCVEGCSA-N 0 0 307.398 0.990 50 0 DCAARN Cc1cc(C(=O)N2CCN(Cc3cn(C)nn3)CC2)c(C)o1 ZINC000332096578 415242692 /nfs/dbraw/zinc/24/26/92/415242692.db2.gz OEBKNKBSLWEVQQ-UHFFFAOYSA-N 0 0 303.366 0.983 50 0 DCAARN C[C@@H](C(=O)N1CCN(Cc2ccncc2)CC1)n1cncn1 ZINC000045198511 415244888 /nfs/dbraw/zinc/24/48/88/415244888.db2.gz XMSNMCNAKDEXGL-ZDUSSCGKSA-N 0 0 300.366 0.579 50 0 DCAARN O=C(NC1CCC(O)CC1)N1CCN(c2ncccn2)CC1 ZINC000045548985 415247591 /nfs/dbraw/zinc/24/75/91/415247591.db2.gz VBIUEZSGFODEJH-UHFFFAOYSA-N 0 0 305.382 0.612 50 0 DCAARN COc1ccc(S(=O)(=O)NCCCn2cncn2)cc1F ZINC000045742776 415252569 /nfs/dbraw/zinc/25/25/69/415252569.db2.gz RXVUQYNDMFJLTB-UHFFFAOYSA-N 0 0 314.342 0.794 50 0 DCAARN CC(C)N1C[C@@H](C(=O)NCCNC(=O)c2ccccc2)CC1=O ZINC000046196117 415254457 /nfs/dbraw/zinc/25/44/57/415254457.db2.gz UUFXRPAVFJVXOH-AWEZNQCLSA-N 0 0 317.389 0.790 50 0 DCAARN CC(C)Oc1ncccc1CNC(=O)N1CC[C@@H](C(N)=O)C1 ZINC000046826169 415262149 /nfs/dbraw/zinc/26/21/49/415262149.db2.gz ROPMNQJDYWYXFZ-GFCCVEGCSA-N 0 0 306.366 0.886 50 0 DCAARN C[C@@H](NC(=O)c1nccnc1N)c1ccc2c(c1)NC(=O)CO2 ZINC000047511996 415271254 /nfs/dbraw/zinc/27/12/54/415271254.db2.gz XDGYDVDPEXOHRS-MRVPVSSYSA-N 0 0 313.317 0.881 50 0 DCAARN CC(C)NC(=O)CCS(=O)(=O)Cc1ccn(C)c(=O)c1 ZINC000047317705 415271819 /nfs/dbraw/zinc/27/18/19/415271819.db2.gz MFDRUAXVQOOJHM-UHFFFAOYSA-N 0 0 300.380 0.215 50 0 DCAARN COCCNC(=O)[C@H](C)S(=O)(=O)Cc1ccccc1F ZINC000044640460 415224875 /nfs/dbraw/zinc/22/48/75/415224875.db2.gz ZBHSVVHXMVCKIF-JTQLQIEISA-N 0 0 303.355 0.892 50 0 DCAARN Cc1[nH]c(=S)sc1CC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000044724747 415225055 /nfs/dbraw/zinc/22/50/55/415225055.db2.gz MJWZMNSPSMETRR-MRVPVSSYSA-N 0 0 320.461 0.834 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)Nc1nc2ccccc2[nH]1 ZINC000044833363 415225485 /nfs/dbraw/zinc/22/54/85/415225485.db2.gz MTRIGJYGALSKCD-UHFFFAOYSA-N 0 0 308.363 0.232 50 0 DCAARN O=C(/C=C/c1ccc2c(c1)OCO2)N[C@@H]1CCS(=O)(=O)C1 ZINC000044873599 415229736 /nfs/dbraw/zinc/22/97/36/415229736.db2.gz JAIJHJYOIISBJG-JRBALWBOSA-N 0 0 309.343 0.732 50 0 DCAARN C[C@H]1CN(S(=O)(=O)N(C)Cc2cnn(C)c2)C[C@H](C)O1 ZINC000044895822 415231923 /nfs/dbraw/zinc/23/19/23/415231923.db2.gz RZSJGWZZGXPFAR-QWRGUYRKSA-N 0 0 302.400 0.206 50 0 DCAARN C[C@@H](Cc1ccco1)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000044912979 415232276 /nfs/dbraw/zinc/23/22/76/415232276.db2.gz KACMPWGZGLOGFX-RYUDHWBXSA-N 0 0 314.407 0.998 50 0 DCAARN C[C@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1nnc2n1CCC2 ZINC000048253533 415288692 /nfs/dbraw/zinc/28/86/92/415288692.db2.gz MKJKZXLZAPGJIC-JQWIXIFHSA-N 0 0 317.393 0.660 50 0 DCAARN Cc1cc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)n(C)n1 ZINC000048939663 415299152 /nfs/dbraw/zinc/29/91/52/415299152.db2.gz NWVVMTIJMKMHIS-VIFPVBQESA-N 0 0 303.409 0.587 50 0 DCAARN CN1C(=O)CO[C@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1 ZINC000072237926 415408694 /nfs/dbraw/zinc/40/86/94/415408694.db2.gz LPXNOBPHHLOIIU-GJZGRUSLSA-N 0 0 304.346 0.444 50 0 DCAARN C[C@H](Oc1cccc(F)c1)C(=O)N1CCCN(CC(N)=O)CC1 ZINC000071829324 415411394 /nfs/dbraw/zinc/41/13/94/415411394.db2.gz KOPKWRPTBKFMKX-LBPRGKRZSA-N 0 0 323.368 0.613 50 0 DCAARN COC[C@@H]1CN(C(=O)CN2Cc3ccccc3C2=O)C[C@H](C)O1 ZINC000276027622 415416513 /nfs/dbraw/zinc/41/65/13/415416513.db2.gz PRUONRJXJRWDFM-JSGCOSHPSA-N 0 0 318.373 0.905 50 0 DCAARN COC(=O)c1c[nH]nc1S(=O)(=O)NCCc1ccccn1 ZINC000067245104 415376280 /nfs/dbraw/zinc/37/62/80/415376280.db2.gz UDNCQIJIIHFWNE-UHFFFAOYSA-N 0 0 310.335 0.112 50 0 DCAARN COc1cc(C(=O)N(C)Cc2snnc2C)nc(OC)n1 ZINC000067472978 415379425 /nfs/dbraw/zinc/37/94/25/415379425.db2.gz SEQVEFHHZCEWEO-UHFFFAOYSA-N 0 0 309.351 0.926 50 0 DCAARN CCN(CC)c1nc(N)cc(N2Cc3cnn(CCO)c3C2)n1 ZINC000067675806 415380320 /nfs/dbraw/zinc/38/03/20/415380320.db2.gz SRKZECKUOJIJCX-UHFFFAOYSA-N 0 0 317.397 0.614 50 0 DCAARN O=C(N[C@@H]1CCNC1=O)c1cc(COc2ccccc2F)n[nH]1 ZINC000067787688 415383008 /nfs/dbraw/zinc/38/30/08/415383008.db2.gz IXTFDJFVYBRKCP-LLVKDONJSA-N 0 0 318.308 0.746 50 0 DCAARN COc1ccc(OC)c(CC(=O)N2CC[N@H+](C)[C@@H](C(=O)[O-])C2)c1 ZINC000067689153 415384756 /nfs/dbraw/zinc/38/47/56/415384756.db2.gz GEOAKFVBNONMCB-CYBMUJFWSA-N 0 0 322.361 0.474 50 0 DCAARN Cc1nn2cc(CNC(=O)C3=C(C)NC(=O)N[C@@H]3C)nc2s1 ZINC000067787313 415386058 /nfs/dbraw/zinc/38/60/58/415386058.db2.gz MBMWOPGLYGXFPJ-ZCFIWIBFSA-N 0 0 320.378 0.691 50 0 DCAARN CC(=O)NCCNC(=O)CN1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000075132288 415439305 /nfs/dbraw/zinc/43/93/05/415439305.db2.gz VVFSFWXYMPXNNL-CQSZACIVSA-N 0 0 321.425 0.426 50 0 DCAARN Cc1n[nH]c(=O)c2cc(S(=O)(=O)NCc3ccccc3)cn21 ZINC000075536529 415447702 /nfs/dbraw/zinc/44/77/02/415447702.db2.gz JLIQDHAVIAAKGG-UHFFFAOYSA-N 0 0 318.358 0.810 50 0 DCAARN CC1CCN(C(=O)c2snc3c2[nH]c(=O)n(C)c3=O)CC1 ZINC000075530953 415448548 /nfs/dbraw/zinc/44/85/48/415448548.db2.gz STTQFQHNVMJISX-UHFFFAOYSA-N 0 0 308.363 0.555 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)c2c[nH]nc2-c2ccncc2)CC1 ZINC000075604483 415451714 /nfs/dbraw/zinc/45/17/14/415451714.db2.gz JOWVWGWAPAJXJW-GFCCVEGCSA-N 0 0 315.377 0.610 50 0 DCAARN Cc1cnn(CCNC(=O)C2CCN(C(=O)C3CC3)CC2)c1 ZINC000095354986 415554373 /nfs/dbraw/zinc/55/43/73/415554373.db2.gz ORGXDRKQFLQJJO-UHFFFAOYSA-N 0 0 304.394 0.956 50 0 DCAARN CCc1cnc(N)nc1N1CC[C@@]2(O)CCN(C(C)=O)C[C@H]2C1 ZINC000095388142 415556317 /nfs/dbraw/zinc/55/63/17/415556317.db2.gz WLTYFKWUEFEAEN-BBRMVZONSA-N 0 0 319.409 0.431 50 0 DCAARN CCc1ncc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)cn1 ZINC000095383872 415557960 /nfs/dbraw/zinc/55/79/60/415557960.db2.gz REFZZLIMHUULRX-CQSZACIVSA-N 0 0 304.394 0.976 50 0 DCAARN O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCOc2ccccc2C1 ZINC000095386988 415558792 /nfs/dbraw/zinc/55/87/92/415558792.db2.gz SYHQRZWACINARW-LLVKDONJSA-N 0 0 317.345 0.296 50 0 DCAARN O=C(NCCN1CCNC1=O)[C@H](c1cccnc1)N1CCCC1 ZINC000095374845 415559678 /nfs/dbraw/zinc/55/96/78/415559678.db2.gz NTMGAJBJVLZMQY-AWEZNQCLSA-N 0 0 317.393 0.360 50 0 DCAARN CCOC(=O)[C@@](C)(O)CNC(=O)c1noc(-c2cccnc2)n1 ZINC000095942227 415563935 /nfs/dbraw/zinc/56/39/35/415563935.db2.gz UUQSKMYKIRYSRF-AWEZNQCLSA-N 0 0 320.305 0.176 50 0 DCAARN CCS(=O)(=O)NCCCn1c(=O)onc1-c1cccs1 ZINC000095990844 415567835 /nfs/dbraw/zinc/56/78/35/415567835.db2.gz XDHQJHXROWWNPW-UHFFFAOYSA-N 0 0 317.392 0.894 50 0 DCAARN c1nc2ncnc(NCCNc3nnnn3-c3ccccc3)c2[nH]1 ZINC000095973012 415569091 /nfs/dbraw/zinc/56/90/91/415569091.db2.gz GNZCJDKPAZZJKW-UHFFFAOYSA-N 0 0 322.336 0.853 50 0 DCAARN Cc1nn(C)c(C)c1C[C@@H](C)NS(=O)(=O)c1cn(C)cn1 ZINC000095961887 415569334 /nfs/dbraw/zinc/56/93/34/415569334.db2.gz FSPRLAZCQQTYRJ-SECBINFHSA-N 0 0 311.411 0.680 50 0 DCAARN CN1CCC[C@H](N2CCN(C(=O)c3ccc(O)cc3)CC2)C1=O ZINC000095995307 415569661 /nfs/dbraw/zinc/56/96/61/415569661.db2.gz IDJIBYGRHWNEDH-HNNXBMFYSA-N 0 0 317.389 0.771 50 0 DCAARN COC(=O)[C@@]12CCC[C@@H]1CN(CC(=O)NCC(F)(F)F)C2 ZINC000097082961 415581052 /nfs/dbraw/zinc/58/10/52/415581052.db2.gz OUEYHVGXDIKKQU-BXKDBHETSA-N 0 0 308.300 0.940 50 0 DCAARN CC(C)(CNC(=O)[C@H](C1CC1)N1CCCC1)S(C)(=O)=O ZINC000097135329 415584538 /nfs/dbraw/zinc/58/45/38/415584538.db2.gz UPSLDGCTIKBRGT-LBPRGKRZSA-N 0 0 302.440 0.800 50 0 DCAARN COCCn1nc(C)c(CNc2ccc3nnnn3n2)c1C ZINC000097160088 415585692 /nfs/dbraw/zinc/58/56/92/415585692.db2.gz XJEHHCRNGYPBLD-UHFFFAOYSA-N 0 0 302.342 0.591 50 0 DCAARN COc1cncc(N2CCN(C[C@@H](O)C(F)(F)F)CC2)n1 ZINC000097141804 415586511 /nfs/dbraw/zinc/58/65/11/415586511.db2.gz CHXMJEZIIXIPHG-SECBINFHSA-N 0 0 306.288 0.530 50 0 DCAARN C[C@H]1Cc2ccccc2N1C(=O)Cn1cnnc1[S@@](C)=O ZINC000112226653 415709234 /nfs/dbraw/zinc/70/92/34/415709234.db2.gz NERGPRYVRWYBIH-CWKPULSASA-N 0 0 304.375 0.993 50 0 DCAARN CC[C@@]1(C)NC(=O)N(NC(=O)[C@H]2COc3ccccc3O2)C1=O ZINC000298210784 415996822 /nfs/dbraw/zinc/99/68/22/415996822.db2.gz KXJVUKFNSMIJFM-IAQYHMDHSA-N 0 0 319.317 0.578 50 0 DCAARN CC[C@]1(C)NC(=O)N(NC(=O)[C@H]2COc3ccccc3O2)C1=O ZINC000298210781 415997551 /nfs/dbraw/zinc/99/75/51/415997551.db2.gz KXJVUKFNSMIJFM-ABAIWWIYSA-N 0 0 319.317 0.578 50 0 DCAARN O=C(NCCNC(=O)c1cccnc1)NC[C@H]1CCCCO1 ZINC000299210105 416059169 /nfs/dbraw/zinc/05/91/69/416059169.db2.gz HZUBJUCKUZHWFQ-CYBMUJFWSA-N 0 0 306.366 0.680 50 0 DCAARN COCCn1cnnc1CCNC(=O)c1ncoc1C1CC1 ZINC000299756127 416064127 /nfs/dbraw/zinc/06/41/27/416064127.db2.gz CJDQNKPNHMQARC-UHFFFAOYSA-N 0 0 305.338 0.762 50 0 DCAARN CCn1c(C)cc(C)c(C(=O)NCCN2CCNC2=O)c1=O ZINC000299758609 416064972 /nfs/dbraw/zinc/06/49/72/416064972.db2.gz JUYLORDVWXPWIC-UHFFFAOYSA-N 0 0 306.366 0.240 50 0 DCAARN COCCn1cnnc1CCNC(=O)c1ccc2n[nH]nc2c1 ZINC000299790715 416069365 /nfs/dbraw/zinc/06/93/65/416069365.db2.gz BOTJJUUHRXIOQY-UHFFFAOYSA-N 0 0 315.337 0.168 50 0 DCAARN Cn1cnc2cc(NC(=O)NCCNS(C)(=O)=O)ccc21 ZINC000299801623 416071394 /nfs/dbraw/zinc/07/13/94/416071394.db2.gz QAGUWAXUQIMPQP-UHFFFAOYSA-N 0 0 311.367 0.244 50 0 DCAARN CCOCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000170653852 416027481 /nfs/dbraw/zinc/02/74/81/416027481.db2.gz PYBJKINKSUWSIT-UHFFFAOYSA-N 0 0 316.379 0.404 50 0 DCAARN CCn1cnc2c(c1=O)CCN([C@@H]1CCN(C3CC3)C1=O)C2 ZINC000329177904 416155214 /nfs/dbraw/zinc/15/52/14/416155214.db2.gz MDMMJDCDLOTAQN-CQSZACIVSA-N 0 0 302.378 0.385 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCOC2)cc1 ZINC000175059505 416095668 /nfs/dbraw/zinc/09/56/68/416095668.db2.gz UFWQDRSQMDCKJW-NSHDSACASA-N 0 0 312.391 0.703 50 0 DCAARN CCn1cc(S(=O)(=O)N(C)[C@H](C)C[S@@](C)=O)nc1C ZINC000331084481 416261303 /nfs/dbraw/zinc/26/13/03/416261303.db2.gz ZISWDCLDAWFIJO-DYBLOJMWSA-N 0 0 307.441 0.599 50 0 DCAARN COc1ccccc1N1CC[C@H](NC(=O)N2CC(CO)C2)C1 ZINC000189539654 416266910 /nfs/dbraw/zinc/26/69/10/416266910.db2.gz PLUKDRHRDWCJCV-ZDUSSCGKSA-N 0 0 305.378 0.908 50 0 DCAARN C[C@H]1CN(c2nc3c(cnn3C)c(N)n2)C[C@]2(CCCOC2)O1 ZINC000253430034 416334739 /nfs/dbraw/zinc/33/47/39/416334739.db2.gz JNYUBIJOMMUVTB-BONVTDFDSA-N 0 0 318.381 0.720 50 0 DCAARN CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCc2c1cccc2Cl ZINC000195544364 416326797 /nfs/dbraw/zinc/32/67/97/416326797.db2.gz XHEYVUZKUIGRQQ-LLVKDONJSA-N 0 0 316.810 0.991 50 0 DCAARN CN(C[C@@H]1Cc2ccccc2O1)C(=O)CN1C(=O)CNC1=O ZINC000215096602 416326919 /nfs/dbraw/zinc/32/69/19/416326919.db2.gz NBTNPNZLBIVPKC-NSHDSACASA-N 0 0 303.318 0.000 50 0 DCAARN O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1cccc(=O)[nH]1 ZINC000215190542 416327112 /nfs/dbraw/zinc/32/71/12/416327112.db2.gz WYGAEXBUNROONS-GFCCVEGCSA-N 0 0 313.361 0.811 50 0 DCAARN Cc1nnc([C@@H](C)NC(=O)c2ccc(S(N)(=O)=O)cc2)o1 ZINC000215024712 416327223 /nfs/dbraw/zinc/32/72/23/416327223.db2.gz DQXFATWLJQAGLX-SSDOTTSWSA-N 0 0 310.335 0.516 50 0 DCAARN CS(=O)(=O)NCCNC(=O)c1cccc(Cn2cccn2)c1 ZINC000216415592 416327472 /nfs/dbraw/zinc/32/74/72/416327472.db2.gz DPKRWERQGNBQBY-UHFFFAOYSA-N 0 0 322.390 0.210 50 0 DCAARN CCCc1nc(C(=O)NCCS(=O)(=O)N(C)C)cs1 ZINC000216322018 416327555 /nfs/dbraw/zinc/32/75/55/416327555.db2.gz TXVVRSLEMQCAAF-UHFFFAOYSA-N 0 0 305.425 0.717 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](Oc2cncc(OC)n2)C1 ZINC000225501442 416327707 /nfs/dbraw/zinc/32/77/07/416327707.db2.gz OMXAYCTVSBZAET-JTQLQIEISA-N 0 0 301.368 0.678 50 0 DCAARN O=C1NC[C@@H]2CN(c3ncc(Cl)cc3Cl)CCN2C1=O ZINC000225821991 416327716 /nfs/dbraw/zinc/32/77/16/416327716.db2.gz SNERJYUJPYPSEB-MRVPVSSYSA-N 0 0 315.160 0.535 50 0 DCAARN COCCN1C(=O)CN(C2CCN(C(=O)C3CC3)CC2)C1=O ZINC000239579042 416329912 /nfs/dbraw/zinc/32/99/12/416329912.db2.gz DDXSOGZVCQTBTP-UHFFFAOYSA-N 0 0 309.366 0.298 50 0 DCAARN CCc1cccnc1C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000241587884 416330062 /nfs/dbraw/zinc/33/00/62/416330062.db2.gz OXWRSUBSTFHKTR-BZNIZROVSA-N 0 0 316.361 0.752 50 0 DCAARN Cc1cc(CC(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)on1 ZINC000244787902 416331106 /nfs/dbraw/zinc/33/11/06/416331106.db2.gz QFUXYKSHTZSAMZ-NVBFEUDRSA-N 0 0 304.350 0.887 50 0 DCAARN CC(=O)c1[nH]c(C)c(C(=O)N[C@@H]2CCN(C(C)=O)C[C@H]2O)c1C ZINC000244794626 416331212 /nfs/dbraw/zinc/33/12/12/416331212.db2.gz QQPUAEHVFAETTG-CHWSQXEVSA-N 0 0 321.377 0.546 50 0 DCAARN CCCn1[nH]ccc1=NC(=O)CN1CCn2c(CC)nnc2C1 ZINC000588079078 416521507 /nfs/dbraw/zinc/52/15/07/416521507.db2.gz GPPRHUJCXWJMPK-UHFFFAOYSA-N 0 0 317.397 0.323 50 0 DCAARN CCc1ccccc1S(=O)(=O)N[C@@](C)(CO)C(=O)OC ZINC000585114601 416517849 /nfs/dbraw/zinc/51/78/49/416517849.db2.gz LMMMQUBTCYXDLZ-ZDUSSCGKSA-N 0 0 301.364 0.451 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)C2(CO)CC2)C1 ZINC000585113623 416518470 /nfs/dbraw/zinc/51/84/70/416518470.db2.gz ZJHMZPDINHYADF-RYUDHWBXSA-N 0 0 318.439 0.325 50 0 DCAARN COC(=O)[C@@](C)(CO)NS(=O)(=O)c1ccc(OC)cc1C ZINC000585114676 416518673 /nfs/dbraw/zinc/51/86/73/416518673.db2.gz QWNXPGRDWBKKSA-CYBMUJFWSA-N 0 0 317.363 0.206 50 0 DCAARN O=C1Nc2ccccc2C[C@@H]1NS(=O)(=O)C[C@@H]1CCOC1 ZINC000528541686 417356163 /nfs/dbraw/zinc/35/61/63/417356163.db2.gz IOUAGRVYULYICG-MFKMUULPSA-N 0 0 310.375 0.506 50 0 DCAARN CCn1ncc(CNC(=O)Nc2ccnn2C[C@H]2CCOC2)n1 ZINC000529064647 417414399 /nfs/dbraw/zinc/41/43/99/417414399.db2.gz AOOHBAPKKZXPNA-LLVKDONJSA-N 0 0 319.369 0.853 50 0 DCAARN CN(C)S(=O)(=O)CC[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000528646069 417373295 /nfs/dbraw/zinc/37/32/95/417373295.db2.gz SCYPDHRFDODKRG-CYBMUJFWSA-N 0 0 320.455 0.131 50 0 DCAARN Cn1cc(-c2cc(CNC(=O)Cn3ncccc3=O)ccn2)cn1 ZINC000575619574 417540713 /nfs/dbraw/zinc/54/07/13/417540713.db2.gz WMPGUIQJDWUITF-UHFFFAOYSA-N 0 0 324.344 0.355 50 0 DCAARN Cn1cc(-c2noc(CNC(=O)NC[C@@H]3CCCO3)n2)cn1 ZINC000575608758 417540827 /nfs/dbraw/zinc/54/08/27/417540827.db2.gz VCSNAQWMIIPBMG-JTQLQIEISA-N 0 0 306.326 0.448 50 0 DCAARN COc1nc(CNC(=O)c2ccoc2)nc(N2CCOCC2)n1 ZINC000575608409 417541919 /nfs/dbraw/zinc/54/19/19/417541919.db2.gz TXMWPFZEEFDASS-UHFFFAOYSA-N 0 0 319.321 0.240 50 0 DCAARN C[C@@H]1CC[C@@H](NC(=O)NCC2=CCOCC2)CS1(=O)=O ZINC000664988048 418165787 /nfs/dbraw/zinc/16/57/87/418165787.db2.gz MFCFJJRIWLWGBS-ZYHUDNBSSA-N 0 0 302.396 0.598 50 0 DCAARN COC[C@@H]1C[C@@H](O)CN1C(=O)NCc1nnc(SC)s1 ZINC000651049447 418341853 /nfs/dbraw/zinc/34/18/53/418341853.db2.gz QRFUHLHJKIFONH-JGVFFNPUSA-N 0 0 318.424 0.551 50 0 DCAARN COCCOc1ccc(S(=O)(=O)N2CCN[C@@H](C)C2)cc1 ZINC000088059714 262524979 /nfs/dbraw/zinc/52/49/79/262524979.db2.gz LPVKSKAHOFVDGJ-LBPRGKRZSA-N 0 0 314.407 0.694 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@]2(C)NN1 ZINC000000081710 262528108 /nfs/dbraw/zinc/52/81/08/262528108.db2.gz YBIPHAVVFCMZLI-BDJLRTHQSA-N 0 0 315.329 0.684 50 0 DCAARN CC(C)c1nn(C)c(N(C)C)c1CN[C@@H]1CCS(=O)(=O)C1 ZINC000065478809 276071772 /nfs/dbraw/zinc/07/17/72/276071772.db2.gz NMSSKDDHVKTEMI-LLVKDONJSA-N 0 0 314.455 0.886 50 0 DCAARN CC(=O)N1CCN(S(=O)(=O)c2c[nH]nc2C(C)(C)C)CC1 ZINC000095400391 278043613 /nfs/dbraw/zinc/04/36/13/278043613.db2.gz RZRAYBOVMXHBTL-UHFFFAOYSA-N 0 0 314.411 0.560 50 0 DCAARN CC(=O)N[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H]1COC(C)(C)O1 ZINC000019877724 278182524 /nfs/dbraw/zinc/18/25/24/278182524.db2.gz ARBXTIYDTCGPSN-VSSNEEPJSA-N 0 0 301.339 0.519 50 0 DCAARN CC(=O)Nc1nc2c(s1)CN(S(=O)(=O)N(C)C)CC2 ZINC000077142041 278214450 /nfs/dbraw/zinc/21/44/50/278214450.db2.gz DUUZQKURMYYTDQ-UHFFFAOYSA-N 0 0 304.397 0.266 50 0 DCAARN CC(C)(C)CN1CCC[C@H](N2CCS(=O)(=O)CC2)C1=O ZINC000329696198 278324827 /nfs/dbraw/zinc/32/48/27/278324827.db2.gz BRMCXJKODXFZJP-LBPRGKRZSA-N 0 0 302.440 0.754 50 0 DCAARN C[C@@H](O)CN1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000225401559 278402155 /nfs/dbraw/zinc/40/21/55/278402155.db2.gz DORRAFYEYITFSF-CZUORRHYSA-N 0 0 303.406 0.938 50 0 DCAARN Cc1cc(N2CC[C@@](O)(C(N)=O)C2)ncc1Br ZINC000278772783 278715382 /nfs/dbraw/zinc/71/53/82/278715382.db2.gz ONLFYKBIVVDKIQ-NSHDSACASA-N 0 0 300.156 0.579 50 0 DCAARN CC(C)[C@@H]1CN(S(=O)(=O)N(C)C)CCC(=O)N1CC1CC1 ZINC000071754279 280014715 /nfs/dbraw/zinc/01/47/15/280014715.db2.gz COLMGQGHLJQQSU-ZDUSSCGKSA-N 0 0 317.455 0.762 50 0 DCAARN CC[C@H]1CN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CCO1 ZINC000065612595 288268820 /nfs/dbraw/zinc/26/88/20/288268820.db2.gz ZHVXANXDHORJFT-NWDGAFQWSA-N 0 0 304.412 0.438 50 0 DCAARN CCn1c(C)cn2c1nc1c2c(=O)n([C@@H](C)C(C)=O)c(=O)n1C ZINC000004314181 281596796 /nfs/dbraw/zinc/59/67/96/281596796.db2.gz MIQRHASVNRVFGX-VIFPVBQESA-N 0 0 317.349 0.628 50 0 DCAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCO[C@H]2CCC[C@H]21 ZINC000053382523 295493009 /nfs/dbraw/zinc/49/30/09/295493009.db2.gz SUPLMUJAOYLGII-NEPJUHHUSA-N 0 0 321.377 0.631 50 0 DCAARN CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000040521904 295556077 /nfs/dbraw/zinc/55/60/77/295556077.db2.gz ZCUKBUGPTLECRX-LBPRGKRZSA-N 0 0 310.375 0.489 50 0 DCAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000053382525 303598596 /nfs/dbraw/zinc/59/85/96/303598596.db2.gz SUPLMUJAOYLGII-VXGBXAGGSA-N 0 0 321.377 0.631 50 0 DCAARN CCCn1c(N)c(C(=O)CN2C[C@H](C)C[C@@H](C)C2)c(=O)[nH]c1=O ZINC000007811124 331503975 /nfs/dbraw/zinc/50/39/75/331503975.db2.gz FKBOQHZGVFLNOH-GHMZBOCLSA-N 0 0 322.409 0.689 50 0 DCAARN NS(=O)(=O)c1ccc(C(=O)NC[C@H]2Cc3ccccc3O2)o1 ZINC000056892505 331786158 /nfs/dbraw/zinc/78/61/58/331786158.db2.gz GGPIFWWWCNISPF-SNVBAGLBSA-N 0 0 322.342 0.661 50 0 DCAARN CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(=O)c2cccc(F)c2[n-]1 ZINC000534591512 334294221 /nfs/dbraw/zinc/29/42/21/334294221.db2.gz MXKNMQZLRKRPGD-AAEUAGOBSA-N 0 0 305.309 0.796 50 0 DCAARN Cc1ccnc([C@@H](NC(=O)CCNS(C)(=O)=O)C2CC2)c1 ZINC000534666105 334318674 /nfs/dbraw/zinc/31/86/74/334318674.db2.gz GASRIWZBFVJVCC-AWEZNQCLSA-N 0 0 311.407 0.897 50 0 DCAARN CCCn1ncnc1[C@H](C)NC(=O)C(C)(C)N1CCOCC1 ZINC000534666271 334318926 /nfs/dbraw/zinc/31/89/26/334318926.db2.gz YBCATKLPWWTOOM-LBPRGKRZSA-N 0 0 309.414 0.976 50 0 DCAARN CN1C(=O)NC2(CCN(Cc3cn(C(C)(C)C)nn3)CC2)C1=O ZINC000582453749 337055638 /nfs/dbraw/zinc/05/56/38/337055638.db2.gz ZGNKSZZZFGGLOW-UHFFFAOYSA-N 0 0 320.397 0.549 50 0 DCAARN Cc1nn(C(C)(C)C)c(=O)n1CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000097235248 337382383 /nfs/dbraw/zinc/38/23/83/337382383.db2.gz XGPKZNRSSLBKMG-QWRGUYRKSA-N 0 0 310.398 0.744 50 0 DCAARN O=C(NCc1nnc2c(C(F)(F)F)cccn12)c1nnc[nH]1 ZINC000252488210 337383721 /nfs/dbraw/zinc/38/37/21/337383721.db2.gz INMLCOZZLHJWEF-UHFFFAOYSA-N 0 0 311.227 0.796 50 0 DCAARN NC(=O)[C@@H]1CC[C@@H]1C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000408524447 534436705 /nfs/dbraw/zinc/43/67/05/534436705.db2.gz DEZMOAAHTONHGI-NEPJUHHUSA-N 0 0 307.325 0.183 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000299744849 534441536 /nfs/dbraw/zinc/44/15/36/534441536.db2.gz UVYDLZGQOPRGOW-KOLCDFICSA-N 0 0 314.338 0.208 50 0 DCAARN CCCS(=O)(=O)CC(=O)N1CCC(Cn2ccnn2)CC1 ZINC000154521263 520502816 /nfs/dbraw/zinc/50/28/16/520502816.db2.gz CYQOFKJYMWOOLC-UHFFFAOYSA-N 0 0 314.411 0.342 50 0 DCAARN Cc1oc2c(c1C(=O)NCCN1CCNC1=O)C(=O)CCC2 ZINC000299794560 534550897 /nfs/dbraw/zinc/55/08/97/534550897.db2.gz KNBHIAUMJNOJCO-UHFFFAOYSA-N 0 0 305.334 0.862 50 0 DCAARN CC1=C(C(=O)NC[C@H]2CCCOC2)[C@@H](C)n2nnnc2N1C ZINC000408522009 528076303 /nfs/dbraw/zinc/07/63/03/528076303.db2.gz BODXIIISCDOUGZ-GHMZBOCLSA-N 0 0 306.370 0.501 50 0 DCAARN Cc1ncc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)n1 ZINC000097495447 545729709 /nfs/dbraw/zinc/72/97/09/545729709.db2.gz CQLPUZIIGKCJSC-UHFFFAOYSA-N 0 0 320.374 0.671 50 0 DCAARN CCOc1cnc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000189197291 545920840 /nfs/dbraw/zinc/92/08/40/545920840.db2.gz OOHFIDYVSKZZNC-GFCCVEGCSA-N 0 0 306.366 0.422 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)NCCn1ccn2nccc12 ZINC000206748046 545936695 /nfs/dbraw/zinc/93/66/95/545936695.db2.gz YDVGEWNFOOIVPW-UHFFFAOYSA-N 0 0 322.394 0.465 50 0 DCAARN CC1(C)O[C@@H]2C(CO)=C(F)[C@@H](n3cnc4c3ncnc4N)[C@@H]2O1 ZINC000211277497 545937732 /nfs/dbraw/zinc/93/77/32/545937732.db2.gz KCWPEJMCWDXCBF-MXWKQRLJSA-N 0 0 321.312 0.699 50 0 DCAARN COc1ccc2[nH]c(CCNC(=O)CCn3cnnn3)nc2c1 ZINC000215813255 545937816 /nfs/dbraw/zinc/93/78/16/545937816.db2.gz QPSOMEWNHBGCTR-UHFFFAOYSA-N 0 0 315.337 0.307 50 0 DCAARN CN1C[C@@]2(CCN(C(=O)Cn3nc4ccccc4n3)C2)OC1=O ZINC000215987608 545938952 /nfs/dbraw/zinc/93/89/52/545938952.db2.gz YCZHBBCNOGCHSN-OAHLLOKOSA-N 0 0 315.333 0.484 50 0 DCAARN Cc1noc(C)c1CNC(=O)[C@H]1CCc2nn(C)c(=O)cc2C1 ZINC000238860571 545959923 /nfs/dbraw/zinc/95/99/23/545959923.db2.gz KOLVPGYVBPMRDA-NSHDSACASA-N 0 0 316.361 0.806 50 0 DCAARN Cc1cccc(O[C@H]2CCN(C(=O)Cn3ncccc3=O)C2)n1 ZINC000238826413 545960389 /nfs/dbraw/zinc/96/03/89/545960389.db2.gz DVYQNSXZFLQRRC-ZDUSSCGKSA-N 0 0 314.345 0.627 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CC(N3CC[C@H](CO)C3)C2)cc1 ZINC000670437943 547090631 /nfs/dbraw/zinc/09/06/31/547090631.db2.gz OMFNZAGWSVRVPO-ZDUSSCGKSA-N 0 0 310.419 0.682 50 0 DCAARN CN(Cc1nncn1C)Cc1cnc(NC[C@H]2CCCO2)nc1 ZINC000670441180 547090657 /nfs/dbraw/zinc/09/06/57/547090657.db2.gz FRWAOEMOUDTNTG-CYBMUJFWSA-N 0 0 317.397 0.828 50 0 DCAARN CN1CC2(CCN(c3ncnc4[nH]ccc43)CC2)OCC1=O ZINC000670440428 547091353 /nfs/dbraw/zinc/09/13/53/547091353.db2.gz WPDIMCQWBBZZBJ-UHFFFAOYSA-N 0 0 301.350 0.786 50 0 DCAARN CCc1nc(S(=O)(=O)N2CCO[C@H](CCOC)C2)c[nH]1 ZINC000670439955 547091594 /nfs/dbraw/zinc/09/15/94/547091594.db2.gz KYLIFLBXQGFUDA-SNVBAGLBSA-N 0 0 303.384 0.398 50 0 DCAARN CC(C)(C(=O)N1CCN(Cc2nc[nH]n2)CC1)n1cccc1 ZINC000670446645 547094318 /nfs/dbraw/zinc/09/43/18/547094318.db2.gz WLFQTOJONBUHTJ-UHFFFAOYSA-N 0 0 302.382 0.686 50 0 DCAARN O=S(=O)(c1cn[nH]c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000670452526 547095768 /nfs/dbraw/zinc/09/57/68/547095768.db2.gz MTKKONRUJBORAD-LBPRGKRZSA-N 0 0 314.411 0.143 50 0 DCAARN O=C(C[NH+]1CCCCCC1)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC000670464770 547099130 /nfs/dbraw/zinc/09/91/30/547099130.db2.gz QLQFLUXPWTWEAG-UHFFFAOYSA-N 0 0 321.421 0.908 50 0 DCAARN COC1CCN(S(=O)(=O)NCc2noc(C(C)C)n2)CC1 ZINC000670469211 547100452 /nfs/dbraw/zinc/10/04/52/547100452.db2.gz FBAJWSNLMLINIC-UHFFFAOYSA-N 0 0 318.399 0.638 50 0 DCAARN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1ccc2nonc2c1 ZINC000685941701 548746534 /nfs/dbraw/zinc/74/65/34/548746534.db2.gz GPGVRBNRLIKVCA-CHWSQXEVSA-N 0 0 303.318 0.883 50 0 DCAARN CCc1cc(N2CC(N3C[C@@H](C(=O)N(C)C)CC3=O)C2)ncn1 ZINC000685941114 548746974 /nfs/dbraw/zinc/74/69/74/548746974.db2.gz RQFVHYGHAFEBOU-NSHDSACASA-N 0 0 317.393 0.164 50 0 DCAARN COc1cccnc1CC(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 ZINC000685941497 548747137 /nfs/dbraw/zinc/74/71/37/548747137.db2.gz DDMPEVNSDDIDPL-GXTWGEPZSA-N 0 0 318.333 0.318 50 0 DCAARN O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1cnn(C2CC2)c1 ZINC000685943113 548747586 /nfs/dbraw/zinc/74/75/86/548747586.db2.gz WDSSDLKXKZGHEB-QWHCGFSZSA-N 0 0 303.322 0.517 50 0 DCAARN O=C(Cn1cnnn1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 ZINC000222300084 563724731 /nfs/dbraw/zinc/72/47/31/563724731.db2.gz RFTXXPLQIYCFJE-KGLIPLIRSA-N 0 0 317.349 0.164 50 0 DCAARN COc1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1OCC(=O)[O-] ZINC000217090697 568416215 /nfs/dbraw/zinc/41/62/15/568416215.db2.gz BMVXBBQOXJSUIV-BETUJISGSA-N 0 0 306.362 0.810 50 0 DCAARN CC1=NS(=O)(=O)N(C)C=C1C(=O)NCc1ccc(F)cc1 ZINC000888104585 661219337 /nfs/dbraw/zinc/21/93/37/661219337.db2.gz HZJFBVPZOJOEPD-UHFFFAOYSA-N 0 0 311.338 0.977 50 0 DCAARN C[C@@H](NC(=O)N1CCC(c2nnc[nH]2)CC1)c1nncn1C ZINC000426411587 661579759 /nfs/dbraw/zinc/57/97/59/661579759.db2.gz XEAIRXOUMGUSTF-SECBINFHSA-N 0 0 304.358 0.583 50 0 DCAARN Cc1cc(C)n(C[C@@H](C)NC(=O)CSc2nncn2C)n1 ZINC000952967295 665832197 /nfs/dbraw/zinc/83/21/97/665832197.db2.gz YYKRXRALGLSNJC-SNVBAGLBSA-N 0 0 308.411 0.925 50 0 DCAARN Cc1ncn(C)c1C(=O)NC1CCN(CC(=O)NC2CC2)CC1 ZINC000299755209 662668864 /nfs/dbraw/zinc/66/88/64/662668864.db2.gz BFZIRBVDUFHVLL-UHFFFAOYSA-N 0 0 319.409 0.201 50 0 DCAARN O=C(NC[C@@H]1CCCS1(=O)=O)c1ccc(N2CCCC2)nn1 ZINC000153275832 664808179 /nfs/dbraw/zinc/80/81/79/664808179.db2.gz RTMMKDIMBXSQBQ-NSHDSACASA-N 0 0 324.406 0.384 50 0 DCAARN Cn1nccc1S(=O)(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000874434771 665175225 /nfs/dbraw/zinc/17/52/25/665175225.db2.gz DJTCPODWIXFNHC-NSHDSACASA-N 0 0 300.428 0.771 50 0 DCAARN O=C([O-])c1n[nH]cc1C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000071419491 666067918 /nfs/dbraw/zinc/06/79/18/666067918.db2.gz QGVNAWZESZAVIL-NSHDSACASA-N 0 0 306.366 0.942 50 0 DCAARN Cc1nnc(CNC[C@@]2(O)CCCN(CC(C)(C)C)C2=O)[nH]1 ZINC000012387528 666580156 /nfs/dbraw/zinc/58/01/56/666580156.db2.gz QOIAXLVUPFNTDC-HNNXBMFYSA-N 0 0 309.414 0.602 50 0 DCAARN COCCN(CCOC)C1CN(C(=O)[C@H](C)CSC)C1 ZINC000863948060 667197205 /nfs/dbraw/zinc/19/72/05/667197205.db2.gz YLSFTUIEEFMQAS-GFCCVEGCSA-N 0 0 304.456 0.791 50 0 DCAARN O=C(CN1CCCC1=O)NCC1CCN(C(=O)C2CCC2)CC1 ZINC000952970164 685599031 /nfs/dbraw/zinc/59/90/31/685599031.db2.gz HLQZCHMDOXCNTF-UHFFFAOYSA-N 0 0 321.421 0.764 50 0 DCAARN O=C(NC[C@H]1CCCN(C(=O)c2cn[nH]n2)C1)c1ccoc1 ZINC000952971270 685600343 /nfs/dbraw/zinc/60/03/43/685600343.db2.gz CYDVFRPGFUZTPB-SNVBAGLBSA-N 0 0 303.322 0.680 50 0 DCAARN CS(=O)(=O)CCC(=O)N(CCO)Cc1ccccc1F ZINC000952984831 685601670 /nfs/dbraw/zinc/60/16/70/685601670.db2.gz NVGSDJMPGMNZHA-UHFFFAOYSA-N 0 0 303.355 0.581 50 0 DCAARN C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(F)ccc3F)CN2C1=O ZINC000014751716 685049088 /nfs/dbraw/zinc/04/90/88/685049088.db2.gz UAPIQSHQNVFODP-FDOIEUKUSA-N 0 0 323.299 0.182 50 0 DCAARN C[C@H]1NC(=O)[C@H]2CN(C(=O)OCc3ccccc3)CCN2C1=O ZINC000014755630 685050325 /nfs/dbraw/zinc/05/03/25/685050325.db2.gz UYAKECPNRAGLIF-DGCLKSJQSA-N 0 0 317.345 0.354 50 0 DCAARN COc1cc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)ccc1F ZINC000019224559 685051481 /nfs/dbraw/zinc/05/14/81/685051481.db2.gz YBGLETMBGCFJIN-GJZGRUSLSA-N 0 0 310.369 0.712 50 0 DCAARN Cc1cnc(N2CCc3nc(C)n(C)c(=O)c3CC2)nc1N ZINC000065399143 685064398 /nfs/dbraw/zinc/06/43/98/685064398.db2.gz WICSZSZMNLBRSU-UHFFFAOYSA-N 0 0 300.366 0.375 50 0 DCAARN Cc1ccc(/C=C/C(=O)NC[C@@H](Cc2cnn(C)c2)C(N)=O)o1 ZINC000089652364 685101069 /nfs/dbraw/zinc/10/10/69/685101069.db2.gz TVUVRYCIRJZSFZ-URWSZGRFSA-N 0 0 316.361 0.795 50 0 DCAARN CC(C)c1cc(C(=O)N2CCC([C@H](O)CO)CC2)nc(N)n1 ZINC001772712390 1157848195 /nfs/dbraw/zinc/84/81/95/1157848195.db2.gz LXJNIXGLFUTPKO-CYBMUJFWSA-N 0 0 308.382 0.388 50 0 DCAARN C[C@H](CC(=O)NC[C@@]1(CO)COCCN1)Cc1cccc(F)c1 ZINC000585128960 1158818076 /nfs/dbraw/zinc/81/80/76/1158818076.db2.gz SCVXACFRJOKUJE-SUMWQHHRSA-N 0 0 324.396 0.862 50 0 DCAARN CN(C)C(=O)NCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 ZINC001704297155 1179965206 /nfs/dbraw/zinc/96/52/06/1179965206.db2.gz IWNVYWRVBUGGAS-CHWSQXEVSA-N 0 0 306.366 0.027 50 0 DCAARN CNC(=O)c1cccnc1N1C[C@@H](Cc2cc(C)[nH]n2)[C@H](O)C1 ZINC001704302260 1179966081 /nfs/dbraw/zinc/96/60/81/1179966081.db2.gz GKGIEXKVXKMDAH-BXUZGUMPSA-N 0 0 315.377 0.513 50 0 DCAARN Cc1nnc(CN2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)s1 ZINC001704303074 1179966449 /nfs/dbraw/zinc/96/64/49/1179966449.db2.gz IOEZAPBPSZSUCE-QWHCGFSZSA-N 0 0 313.423 0.713 50 0 DCAARN COCc1noc(CN2C[C@@H](Cc3cnccn3)[C@H](O)C2)n1 ZINC001704302664 1179966913 /nfs/dbraw/zinc/96/69/13/1179966913.db2.gz BDVHGQPWYNHVSR-ZYHUDNBSSA-N 0 0 305.338 0.041 50 0 DCAARN COc1cccc(OC)c1CN1C[C@@H]2COC[C@H](C1)NC2=O ZINC001704305175 1179968245 /nfs/dbraw/zinc/96/82/45/1179968245.db2.gz UNKUYXJVLVQXLH-NEPJUHHUSA-N 0 0 306.362 0.651 50 0 DCAARN COCCn1cnnc1CCNc1ncc(F)c(N(C)C)n1 ZINC001704327424 1179973700 /nfs/dbraw/zinc/97/37/00/1179973700.db2.gz FAFKXAXDUKOHQK-UHFFFAOYSA-N 0 0 309.349 0.574 50 0 DCAARN Cn1ccnc1C(=O)N1CCC(F)(C(=O)NCC2CC2)CC1 ZINC000581818585 747699744 /nfs/dbraw/zinc/69/97/44/747699744.db2.gz SDAPOIKOVKRLIZ-UHFFFAOYSA-N 0 0 308.357 0.891 50 0 DCAARN CCn1nccc1C(=O)N1CC[C@@H](n2cc(COC)nn2)C1 ZINC000675017304 748026245 /nfs/dbraw/zinc/02/62/45/748026245.db2.gz BBXYJEPEZAOETI-GFCCVEGCSA-N 0 0 304.354 0.728 50 0 DCAARN CS(=O)(=O)N(CCNC(=O)c1ccoc1)C1CCOCC1 ZINC000675020542 748027392 /nfs/dbraw/zinc/02/73/92/748027392.db2.gz SFNXGLRJRDBKOO-UHFFFAOYSA-N 0 0 316.379 0.450 50 0 DCAARN CS(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@]2(CO)C1 ZINC000675020019 748027612 /nfs/dbraw/zinc/02/76/12/748027612.db2.gz AFWDOBSIPLCXPT-CVEARBPZSA-N 0 0 324.446 0.762 50 0 DCAARN C[C@@H](c1nc(CC(N)=O)nn1CC(F)(F)F)n1cncn1 ZINC000822276761 758190445 /nfs/dbraw/zinc/19/04/45/758190445.db2.gz CSUXZZFGJZRJQZ-LURJTMIESA-N 0 0 303.248 0.069 50 0 DCAARN CCCn1cc(S(=O)(=O)N(C)C[C@H]2CC(=O)N(C)C2)cn1 ZINC000823033155 758218706 /nfs/dbraw/zinc/21/87/06/758218706.db2.gz LWTISBNRRMQCPI-NSHDSACASA-N 0 0 314.411 0.392 50 0 DCAARN CN(Cc1nncn1C)c1cncc(C(=O)N2CCCC2)n1 ZINC000823737616 758268476 /nfs/dbraw/zinc/26/84/76/758268476.db2.gz UCPSFOIPYMIHHL-UHFFFAOYSA-N 0 0 301.354 0.478 50 0 DCAARN CO[C@H]1COC[C@@H]1NC(=O)CCS(=O)(=O)c1ccccc1 ZINC000824506561 758778219 /nfs/dbraw/zinc/77/82/19/758778219.db2.gz ILUOSZHMEAGPSX-STQMWFEESA-N 0 0 313.375 0.380 50 0 DCAARN COc1ccnc(N2CCC[C@H](c3nnc(CO)n3C)C2)n1 ZINC000824835818 758788280 /nfs/dbraw/zinc/78/82/80/758788280.db2.gz WYSALGJBKXYTRH-JTQLQIEISA-N 0 0 304.354 0.490 50 0 DCAARN Cn1nc(C(=O)NCc2nncn2C2CCCCC2)ccc1=O ZINC000828150338 758934345 /nfs/dbraw/zinc/93/43/45/758934345.db2.gz MUKLEDAFKYMTLU-UHFFFAOYSA-N 0 0 316.365 0.807 50 0 DCAARN CCn1nccc1C(=O)N1CCC2(CC1)N(C)C(=O)C[S@@]2=O ZINC000581794113 760252686 /nfs/dbraw/zinc/25/26/86/760252686.db2.gz PMHWEXTVMQUPBI-QFIPXVFZSA-N 0 0 324.406 0.056 50 0 DCAARN CCS(=O)(=O)N1CCC2(CC[C@H]2NC(=O)COC)CC1 ZINC000581802987 760253568 /nfs/dbraw/zinc/25/35/68/760253568.db2.gz BXIMBYOXRPKSFI-LLVKDONJSA-N 0 0 304.412 0.343 50 0 DCAARN COCCOCc1nc([C@@H]2CCCCN2C(=O)COC)no1 ZINC000581795312 760253657 /nfs/dbraw/zinc/25/36/57/760253657.db2.gz WBCNZZHVJGVSOT-NSHDSACASA-N 0 0 313.354 0.933 50 0 DCAARN CC(C)N1C(=O)C2(CCCC2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000581821441 760255866 /nfs/dbraw/zinc/25/58/66/760255866.db2.gz CNJUJUGCVVCUPZ-CQSZACIVSA-N 0 0 323.437 0.614 50 0 DCAARN CCc1ccccc1S(=O)(=O)NCC(=O)N=S(C)(C)=O ZINC000585114460 766284304 /nfs/dbraw/zinc/28/43/04/766284304.db2.gz BGZPEXQLPKWGDX-UHFFFAOYSA-N 0 0 318.420 0.782 50 0 DCAARN CCCCOc1ncccc1CNC(=O)[C@H]1CNC(=O)N1C ZINC000585122008 766286719 /nfs/dbraw/zinc/28/67/19/766286719.db2.gz KGQJQRYCZJCGRX-GFCCVEGCSA-N 0 0 306.366 0.900 50 0 DCAARN O=C(NC[C@@]1(CO)COCCN1)c1cc(F)c(F)c(F)c1F ZINC000585128552 766290240 /nfs/dbraw/zinc/29/02/40/766290240.db2.gz FHSMNXFTMCFRRV-CYBMUJFWSA-N 0 0 322.258 0.324 50 0 DCAARN COC(=O)C1CCC(S(=O)(=O)NC[C@H]2CCCO2)CC1 ZINC000585135210 766293021 /nfs/dbraw/zinc/29/30/21/766293021.db2.gz PNQKIIPHFDUCTM-MOENNCHZSA-N 0 0 305.396 0.817 50 0 DCAARN Cc1cc(F)cc(NC(=O)C(=O)NC2(CC(N)=O)CCC2)c1 ZINC000585138191 766293691 /nfs/dbraw/zinc/29/36/91/766293691.db2.gz UHDHCRLQCRPPCC-UHFFFAOYSA-N 0 0 307.325 0.987 50 0 DCAARN CCC1=NO[C@@H](CNC(=O)CCC(=O)Nc2nncs2)C1 ZINC000952860383 768920885 /nfs/dbraw/zinc/92/08/85/768920885.db2.gz OBOSSHLUTRKTKY-SECBINFHSA-N 0 0 311.367 0.928 50 0 DCAARN COCc1cc(=O)[nH]c(N2CC[C@@H](Nc3cnccn3)C2)n1 ZINC000952879060 768943148 /nfs/dbraw/zinc/94/31/48/768943148.db2.gz FXKJRQOAZOYQCJ-SNVBAGLBSA-N 0 0 302.338 0.809 50 0 DCAARN O=C(N[C@H](CO)CC1OCCO1)c1ccc(-n2cccc2)nc1 ZINC000952884140 768951720 /nfs/dbraw/zinc/95/17/20/768951720.db2.gz ZMKUXHQJCNPECP-ZDUSSCGKSA-N 0 0 317.345 0.726 50 0 DCAARN O=C([C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)N1CCC1 ZINC001529102053 1014495193 /nfs/dbraw/zinc/49/51/93/1014495193.db2.gz UYGDFYOJZPOJPD-CABCVRRESA-N 0 0 301.346 0.745 50 0 DCAARN Cc1ccccc1[C@@H]1[C@@H](C(=O)NC(C)(C)CO)OCC(=O)N1C ZINC001529126353 1014501285 /nfs/dbraw/zinc/50/12/85/1014501285.db2.gz FDTUQCHIBWZHGJ-CABCVRRESA-N 0 0 320.389 0.780 50 0 DCAARN Cc1nc(CN2C[C@@H](Cc3cnccn3)[C@H](O)C2)n(C)c1C ZINC001529125973 1014501391 /nfs/dbraw/zinc/50/13/91/1014501391.db2.gz GMUSHILLVPNKKJ-UKRRQHHQSA-N 0 0 301.394 0.862 50 0 DCAARN COCC1CCN(S(=O)(=O)N2CCC[C@@H](COC)C2)CC1 ZINC001529196685 1014519610 /nfs/dbraw/zinc/51/96/10/1014519610.db2.gz DIFLRIOVEJOOMC-CQSZACIVSA-N 0 0 320.455 0.948 50 0 DCAARN CN(C)C(=O)c1cccc(N2CCC3(CNC(=O)O3)CC2)n1 ZINC001506397242 1017252997 /nfs/dbraw/zinc/25/29/97/1017252997.db2.gz JWEAHULAGJEEJK-UHFFFAOYSA-N 0 0 304.350 0.862 50 0 DCAARN O=C(Nc1cnn2c1NCCC2)c1ccc(Cn2cnnn2)cc1 ZINC001506400346 1017256530 /nfs/dbraw/zinc/25/65/30/1017256530.db2.gz FIYOYNOKTCQMCN-UHFFFAOYSA-N 0 0 324.348 0.986 50 0 DCAARN O=C([O-])c1nccnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001506413718 1017263625 /nfs/dbraw/zinc/26/36/25/1017263625.db2.gz KBHBGVFFJHDIHC-UHFFFAOYSA-N 0 0 306.366 0.723 50 0 DCAARN CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1c[nH]c(=O)cn1 ZINC001506431433 1017272769 /nfs/dbraw/zinc/27/27/69/1017272769.db2.gz KAMJYWZFXRDOBJ-JTQLQIEISA-N 0 0 306.366 0.489 50 0 DCAARN Cc1nnc(N2C[C@H](O)[C@@H](N3CCOCC3)C2)c2ccccc12 ZINC001506419806 1017265195 /nfs/dbraw/zinc/26/51/95/1017265195.db2.gz XNOJCJMNKITHAV-HOTGVXAUSA-N 0 0 314.389 0.820 50 0 DCAARN CN(C)c1cnn(CC(=O)N(C)C[C@@H]2CCCCO2)c(=O)c1 ZINC000095513268 185376535 /nfs/dbraw/zinc/37/65/35/185376535.db2.gz ZNCVXYINOWTLMP-ZDUSSCGKSA-N 0 0 308.382 0.337 50 0 DCAARN Cc1csc(S(=O)(=O)CC(=O)N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000076926151 185055965 /nfs/dbraw/zinc/05/59/65/185055965.db2.gz RFSGEZLJRXRRPV-UWVGGRQHSA-N 0 0 318.420 0.861 50 0 DCAARN O=C(CN1C(=O)CCNC1=O)N1CC(OCc2ccccc2)C1 ZINC000095526470 185378117 /nfs/dbraw/zinc/37/81/17/185378117.db2.gz IMUMMUPRYVCHJY-UHFFFAOYSA-N 0 0 317.345 0.356 50 0 DCAARN CCOC(=O)[C@H](C)N(C)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000079095027 185157336 /nfs/dbraw/zinc/15/73/36/185157336.db2.gz JZSRCDUWDSRZIP-NSHDSACASA-N 0 0 317.349 0.615 50 0 DCAARN COCCn1ccc(NC(=O)N2CCSC[C@H]2CCO)n1 ZINC000079110621 185159004 /nfs/dbraw/zinc/15/90/04/185159004.db2.gz DFJJFINITCFQGC-LLVKDONJSA-N 0 0 314.411 0.861 50 0 DCAARN Cn1ccc(NC(=O)Cn2ccc3c(cnc4ccnn43)c2=O)n1 ZINC000079483768 185173515 /nfs/dbraw/zinc/17/35/15/185173515.db2.gz PMVSQSBZCNCJME-UHFFFAOYSA-N 0 0 323.316 0.416 50 0 DCAARN CCOC(=O)C1=C2C(=O)N(Cc3ccccc3)C(=O)C2NN1 ZINC000096930564 185392570 /nfs/dbraw/zinc/39/25/70/185392570.db2.gz PXMBNSUKLTVWHM-WDEREUQCSA-N 0 0 301.302 0.063 50 0 DCAARN COCCOCC(=O)N1CCN(c2ccc(OC)cc2)C(=O)C1 ZINC000082083180 192354323 /nfs/dbraw/zinc/35/43/23/192354323.db2.gz MFHWOTYHOGUNHK-UHFFFAOYSA-N 0 0 322.361 0.533 50 0 DCAARN NC(=O)[C@@H]1CCCN(C(=O)COC(=O)COc2ccccc2)C1 ZINC000007895919 190629789 /nfs/dbraw/zinc/62/97/89/190629789.db2.gz XRQKOVPCQDKULM-GFCCVEGCSA-N 0 0 320.345 0.333 50 0 DCAARN CCc1ccccc1OC1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000095390844 185351415 /nfs/dbraw/zinc/35/14/15/185351415.db2.gz VLWAREHHVBPWMV-ZDUSSCGKSA-N 0 0 303.362 0.862 50 0 DCAARN Cc1cccn2c(=O)cc(Cn3ncc(N(C)C)cc3=O)nc12 ZINC000095390501 185351452 /nfs/dbraw/zinc/35/14/52/185351452.db2.gz KFZQFPBEVHILLV-UHFFFAOYSA-N 0 0 311.345 0.674 50 0 DCAARN Cc1nc[nH]c1C[NH+]1CCC2(CC1)[C@H](C(=O)[O-])CC(=O)N2C ZINC000095391969 185351883 /nfs/dbraw/zinc/35/18/83/185351883.db2.gz DILWGVHRGMVKBM-NSHDSACASA-N 0 0 306.366 0.616 50 0 DCAARN CCc1ccc2c(CN3CC(S(N)(=O)=O)C3)cc(=O)oc2c1 ZINC000408523725 529731038 /nfs/dbraw/zinc/73/10/38/529731038.db2.gz MSDPEVWLBJLNLY-UHFFFAOYSA-N 0 0 322.386 0.828 50 0 DCAARN Cn1ccnc1C[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C)C2)C1 ZINC000095424941 185361427 /nfs/dbraw/zinc/36/14/27/185361427.db2.gz LXMKEDLGRWSKNS-QWHCGFSZSA-N 0 0 319.409 0.615 50 0 DCAARN COCc1ccccc1S(=O)(=O)N1CCC(C(N)=O)CC1 ZINC000095466040 185371771 /nfs/dbraw/zinc/37/17/71/185371771.db2.gz YNTDLXOFKZGBKU-UHFFFAOYSA-N 0 0 312.391 0.719 50 0 DCAARN CN(CC1CC1)S(=O)(=O)N1CCCC[C@@H]1CS(C)(=O)=O ZINC000332166901 529861941 /nfs/dbraw/zinc/86/19/41/529861941.db2.gz SHBBNQHVWYLCFM-GFCCVEGCSA-N 0 0 324.468 0.472 50 0 DCAARN CC(=O)N1CCC2(CC1)CCN(C(=O)c1cnon1)C[C@@H]2CO ZINC000097117569 185413184 /nfs/dbraw/zinc/41/31/84/185413184.db2.gz JSJIIEPEADARPW-GFCCVEGCSA-N 0 0 322.365 0.153 50 0 DCAARN C[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H]2CCCC[C@@H]12 ZINC000229530937 201837345 /nfs/dbraw/zinc/83/73/45/201837345.db2.gz AXWTVVDLZAPLKR-GRYCIOLGSA-N 0 0 321.377 0.834 50 0 DCAARN CN(C)S(=O)(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000069740887 190810961 /nfs/dbraw/zinc/81/09/61/190810961.db2.gz MTJBVHUYZWYRAT-SECBINFHSA-N 0 0 317.798 0.841 50 0 DCAARN CCCCNC(=O)Cc1noc(-c2nc3nccc(C)n3n2)n1 ZINC000069808786 190821286 /nfs/dbraw/zinc/82/12/86/190821286.db2.gz LDXZBDMYAWLARM-UHFFFAOYSA-N 0 0 315.337 0.942 50 0 DCAARN CC(=O)N1CCN(C(=O)COc2nc(C(C)(C)C)no2)CC1 ZINC000070040285 190852852 /nfs/dbraw/zinc/85/28/52/190852852.db2.gz AKFDWPAWLVOOAT-UHFFFAOYSA-N 0 0 310.354 0.437 50 0 DCAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CCCN3c1ccccc1 ZINC000000494184 282608699 /nfs/dbraw/zinc/60/86/99/282608699.db2.gz MGXWDJXIYNWJRR-UHFFFAOYSA-N 0 0 311.345 0.976 50 0 DCAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CCN3c1cccc(O)c1 ZINC000012422034 282609124 /nfs/dbraw/zinc/60/91/24/282609124.db2.gz XEQZISHLQXJTDD-UHFFFAOYSA-N 0 0 313.317 0.291 50 0 DCAARN COCc1nnc(C(=O)N2CCN(c3cccc(C)n3)CC2)o1 ZINC000071738558 191019861 /nfs/dbraw/zinc/01/98/61/191019861.db2.gz OPOVKNGDEJEMGN-UHFFFAOYSA-N 0 0 317.349 0.882 50 0 DCAARN CN(C[C@H]1COCCO1)S(=O)(=O)NCc1ccccc1 ZINC000071747483 191021356 /nfs/dbraw/zinc/02/13/56/191021356.db2.gz SRTVRSIFUFCMHS-ZDUSSCGKSA-N 0 0 300.380 0.368 50 0 DCAARN CC(C)[C@H]1CN(C(=O)Cn2cnnn2)CCC(=O)N1CC1CC1 ZINC000071750563 191022766 /nfs/dbraw/zinc/02/27/66/191022766.db2.gz WJXLSHFDUBBTGL-CYBMUJFWSA-N 0 0 320.397 0.169 50 0 DCAARN NC(=O)c1noc(CN2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000071760393 191025992 /nfs/dbraw/zinc/02/59/92/191025992.db2.gz PDTXQZXIEDSQIX-LLVKDONJSA-N 0 0 306.297 0.881 50 0 DCAARN O=C(c1ccc(-n2cnnc2)nc1)N1CCC[C@@](O)(CO)CC1 ZINC000072123823 191042204 /nfs/dbraw/zinc/04/22/04/191042204.db2.gz DYGGPYOELRYKLX-HNNXBMFYSA-N 0 0 317.349 0.012 50 0 DCAARN O=C(NCCS(=O)(=O)N1CCCC1)c1cccc2ccnn21 ZINC000072129122 191043833 /nfs/dbraw/zinc/04/38/33/191043833.db2.gz RSFURXWWJPCUNQ-UHFFFAOYSA-N 0 0 322.390 0.490 50 0 DCAARN Cc1ccc(C(=O)N2CCNC[C@H]2C(=O)N2CCCC2)cc1O ZINC000072143375 191049038 /nfs/dbraw/zinc/04/90/38/191049038.db2.gz FSQRWBYDDDPMRT-AWEZNQCLSA-N 0 0 317.389 0.737 50 0 DCAARN COCCc1noc(CN2CCN(CC(C)C)C(=O)[C@H]2C)n1 ZINC000072150153 191056059 /nfs/dbraw/zinc/05/60/59/191056059.db2.gz SNOKUWMOLXCECT-GFCCVEGCSA-N 0 0 310.398 0.947 50 0 DCAARN Cc1nonc1CN(C)C(=O)c1cn(C[C@@H]2CCCO2)nn1 ZINC000072153429 191057385 /nfs/dbraw/zinc/05/73/85/191057385.db2.gz MNQDAPGYKBPTCV-JTQLQIEISA-N 0 0 306.326 0.421 50 0 DCAARN C[C@H]1C(=O)NCCN1c1nc(-c2ccncc2)nc2c1cnn2C ZINC000072152894 191058253 /nfs/dbraw/zinc/05/82/53/191058253.db2.gz MQIXOLJBIZJPHA-JTQLQIEISA-N 0 0 323.360 0.750 50 0 DCAARN CN1C[C@]2(CCN(C(=O)CCn3ccccc3=O)C2)OC1=O ZINC000072155936 191059682 /nfs/dbraw/zinc/05/96/82/191059682.db2.gz KOGVEOULSYVYDW-HNNXBMFYSA-N 0 0 305.334 0.292 50 0 DCAARN C[C@H](C(N)=O)n1ncc(N(C)CCc2ccccc2)cc1=O ZINC000072138962 191048568 /nfs/dbraw/zinc/04/85/68/191048568.db2.gz WCHIXSCROAEBLC-GFCCVEGCSA-N 0 0 300.362 0.969 50 0 DCAARN CC(C)c1nc(CCN(C)C(=O)C[C@H]2C(=O)NCCN2C)no1 ZINC000072162488 191064115 /nfs/dbraw/zinc/06/41/15/191064115.db2.gz RWBMQOLEDWDCKO-NSHDSACASA-N 0 0 323.397 0.014 50 0 DCAARN COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(N)=O ZINC000072164753 191064495 /nfs/dbraw/zinc/06/44/95/191064495.db2.gz SVEHCPORPAPECY-DIECRNLCSA-N 0 0 303.362 0.384 50 0 DCAARN COCCn1cnnc1CCNc1nc(C)nc2c1cnn2C ZINC000072167663 191067233 /nfs/dbraw/zinc/06/72/33/191067233.db2.gz IOGHFINVRWWFTM-UHFFFAOYSA-N 0 0 316.369 0.564 50 0 DCAARN CCCC(=O)NCC[C@@H]1CN(c2cnn(C)c(=O)c2)CCO1 ZINC000072171482 191069992 /nfs/dbraw/zinc/06/99/92/191069992.db2.gz MFKOOWYAIFVJGH-CYBMUJFWSA-N 0 0 308.382 0.292 50 0 DCAARN Cc1nc([C@@H]2CCCN(C(=O)CN3CSCC3=O)C2)no1 ZINC000072231974 191078513 /nfs/dbraw/zinc/07/85/13/191078513.db2.gz MOLVYAIGOUFSGU-SNVBAGLBSA-N 0 0 310.379 0.617 50 0 DCAARN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nccn3c(=O)[nH]nc23)C1 ZINC000072238904 191081482 /nfs/dbraw/zinc/08/14/82/191081482.db2.gz RLCWPEPSNSRIJM-SECBINFHSA-N 0 0 320.353 0.521 50 0 DCAARN CC(C)n1cc(S(=O)(=O)NCCN2CCOCC2)cn1 ZINC000072239259 191082504 /nfs/dbraw/zinc/08/25/04/191082504.db2.gz TZMKNXCPUFPGQS-UHFFFAOYSA-N 0 0 302.400 0.075 50 0 DCAARN CCN1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccco2)CC1 ZINC000072239630 191083180 /nfs/dbraw/zinc/08/31/80/191083180.db2.gz YNIOEAJVCYHHII-AWEZNQCLSA-N 0 0 305.378 0.935 50 0 DCAARN Cn1cc(-n2cc3[nH]c(N4CCC(O)CC4)ncc-3c2=O)cn1 ZINC000072260024 191089095 /nfs/dbraw/zinc/08/90/95/191089095.db2.gz CBDWUSBDJDULDI-UHFFFAOYSA-N 0 0 314.349 0.332 50 0 DCAARN COCCS(=O)(=O)N1CCC(NC(=O)CC(C)(C)C)CC1 ZINC000072265448 191090157 /nfs/dbraw/zinc/09/01/57/191090157.db2.gz HLQLUEYODOVFHL-UHFFFAOYSA-N 0 0 320.455 0.979 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)N1CCC[C@H](c2nccs2)C1 ZINC000072273461 191095166 /nfs/dbraw/zinc/09/51/66/191095166.db2.gz ILTQQNPZSCIRSI-VHSXEESVSA-N 0 0 322.390 0.837 50 0 DCAARN O=C(CN1CC(=O)NC1=O)N1CCC[C@@H](c2nccs2)C1 ZINC000072285102 191104642 /nfs/dbraw/zinc/10/46/42/191104642.db2.gz VXVFWWFGQWUKQW-SECBINFHSA-N 0 0 308.363 0.401 50 0 DCAARN CC(C)N1C[C@@H](NC(=O)N[C@@H](C)CN2CCOCC2)CC1=O ZINC000072293235 191110079 /nfs/dbraw/zinc/11/00/79/191110079.db2.gz NDYVYDAWJIEPBS-STQMWFEESA-N 0 0 312.414 0.016 50 0 DCAARN O=C(CN1C(=O)CCC1=O)NC[C@@H](c1ccsc1)N1CCC1 ZINC000225593447 186281066 /nfs/dbraw/zinc/28/10/66/186281066.db2.gz KWFIDWDOSJVCKJ-LBPRGKRZSA-N 0 0 321.402 0.760 50 0 DCAARN CCn1nc2c(cc1=O)CN(Cc1nc(CCOC)no1)CC2 ZINC000072302263 191115080 /nfs/dbraw/zinc/11/50/80/191115080.db2.gz JHSPEKMCHSYRIB-UHFFFAOYSA-N 0 0 319.365 0.393 50 0 DCAARN COC(=O)c1cccc(CS(=O)(=O)N(C)Cc2nc[nH]n2)c1 ZINC000253393869 186303555 /nfs/dbraw/zinc/30/35/55/186303555.db2.gz FGDZCJFNKAMITL-UHFFFAOYSA-N 0 0 324.362 0.553 50 0 DCAARN C[C@H](C(=O)Nc1nccs1)N1CCc2nn(C)c(=O)cc2C1 ZINC000072302333 191115500 /nfs/dbraw/zinc/11/55/00/191115500.db2.gz NRJKGRYDJAEOOH-SECBINFHSA-N 0 0 319.390 0.622 50 0 DCAARN NS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000072304061 191116241 /nfs/dbraw/zinc/11/62/41/191116241.db2.gz GAAARQCKGILZDT-SCZZXKLOSA-N 0 0 304.318 0.473 50 0 DCAARN COC(=O)C12C3[C@H]4[C@@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2 ZINC000004114139 290913358 /nfs/dbraw/zinc/91/33/58/290913358.db2.gz AGFXBZCHSCIOAO-SISXULBMSA-N 0 0 313.147 0.788 50 0 DCAARN Cc1nc([C@@H]2CCCN(CC(N)=O)C2)cc(N2CCOCC2)n1 ZINC000072409359 191154144 /nfs/dbraw/zinc/15/41/44/191154144.db2.gz VBHJTKFWXJBAFB-CYBMUJFWSA-N 0 0 319.409 0.286 50 0 DCAARN CC(C)(O)CCc1cccc(C(=O)N2CC[C@@](O)(CO)C2)c1 ZINC000072409554 191154326 /nfs/dbraw/zinc/15/43/26/191154326.db2.gz AUKWIEAYNDQENQ-KRWDZBQOSA-N 0 0 307.390 0.959 50 0 DCAARN COc1ccc(OC[C@@H]2CCCN(C(=O)CNC(N)=O)C2)cc1 ZINC000072411431 191154558 /nfs/dbraw/zinc/15/45/58/191154558.db2.gz FJZVSLQOUFHDGJ-GFCCVEGCSA-N 0 0 321.377 0.981 50 0 DCAARN CC(=O)N1CCC2(C[C@H](C(=O)[O-])[N@H+](Cc3ncc[nH]3)C2)CC1 ZINC000072426571 191161454 /nfs/dbraw/zinc/16/14/54/191161454.db2.gz RAQCQHJIFOCROI-GFCCVEGCSA-N 0 0 306.366 0.697 50 0 DCAARN CC[C@@]1(O)CCN(C(=O)c2nn(C)c(C)c2Cl)C[C@H]1O ZINC000072427855 191161580 /nfs/dbraw/zinc/16/15/80/191161580.db2.gz VTHMCWVMXKLNHS-NOZJJQNGSA-N 0 0 301.774 0.730 50 0 DCAARN CC[C@@]1(O)CCN(C(=O)c2c(C)cc(C)n(C)c2=O)C[C@H]1O ZINC000072463608 191174197 /nfs/dbraw/zinc/17/41/97/191174197.db2.gz PWRUTWJWFVTAKN-MLGOLLRUSA-N 0 0 308.378 0.350 50 0 DCAARN Cn1cnnc1Sc1ccc(CN2CCC[C@@](O)(CO)C2)o1 ZINC000072469738 191176081 /nfs/dbraw/zinc/17/60/81/191176081.db2.gz CFQRFBBUKQBURE-AWEZNQCLSA-N 0 0 324.406 0.879 50 0 DCAARN O=C(Cn1cccn1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 ZINC000072475396 191176593 /nfs/dbraw/zinc/17/65/93/191176593.db2.gz PHFKAYHIQCPEIR-UONOGXRCSA-N 0 0 320.393 0.105 50 0 DCAARN COc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 ZINC000000500499 180807968 /nfs/dbraw/zinc/80/79/68/180807968.db2.gz GWBNWRNVIHHFRS-UHFFFAOYSA-N 0 0 316.317 0.772 50 0 DCAARN COc1ccc(Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC000000519367 180811564 /nfs/dbraw/zinc/81/15/64/180811564.db2.gz QRQPPBPAPIHUID-UHFFFAOYSA-N 0 0 300.318 0.491 50 0 biogenic DCAARN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000002267923 180917094 /nfs/dbraw/zinc/91/70/94/180917094.db2.gz KRGFPYHJKNWOGI-LBPRGKRZSA-N 0 0 306.318 0.707 50 0 DCAARN COc1nc(NCC(C)C)nc(Oc2ccc(=O)n(C)n2)n1 ZINC000003644984 181043536 /nfs/dbraw/zinc/04/35/36/181043536.db2.gz MYMDUTXLNSBFAD-UHFFFAOYSA-N 0 0 306.326 0.834 50 0 DCAARN COCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000004035843 181066073 /nfs/dbraw/zinc/06/60/73/181066073.db2.gz HZENCSYHMPFODX-UHFFFAOYSA-N 0 0 312.391 0.910 50 0 DCAARN COC(=O)[C@@H](CC[S@](C)=O)N1C(=O)c2ccccc2C1=O ZINC000004087931 181071121 /nfs/dbraw/zinc/07/11/21/181071121.db2.gz DGMCKCSWJWXVQK-WSVYEEACSA-N 0 0 309.343 0.593 50 0 DCAARN CCOCCCNC(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000004119225 181076123 /nfs/dbraw/zinc/07/61/23/181076123.db2.gz KWBCTJAFAZTEOU-UHFFFAOYSA-N 0 0 306.428 0.591 50 0 DCAARN CCOCCCn1c(C)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000004248591 181087946 /nfs/dbraw/zinc/08/79/46/181087946.db2.gz SOWVPQVQTHGKJQ-UHFFFAOYSA-N 0 0 319.365 0.421 50 0 DCAARN CCOCCn1c(=O)c2c(nc3n(C)c(C)cn32)n(C)c1=O ZINC000004250913 181088773 /nfs/dbraw/zinc/08/87/73/181088773.db2.gz RCPCSGQHNVIGMC-UHFFFAOYSA-N 0 0 305.338 0.031 50 0 DCAARN OC[C@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@H]1O ZINC000004261924 181089532 /nfs/dbraw/zinc/08/95/32/181089532.db2.gz MWHKPYATGMFFPI-LYYZXLFJSA-N 0 0 306.314 0.019 50 0 in-vitro DCAARN CCOC(=O)C1=C(COC(=O)c2cccn2C)NC(=O)N[C@@H]1C ZINC000004414940 181108019 /nfs/dbraw/zinc/10/80/19/181108019.db2.gz XNXYYKUAGROHQV-SECBINFHSA-N 0 0 321.333 0.700 50 0 DCAARN Cn1cccc1C(=O)OCC(=O)Nc1ccccc1C(N)=O ZINC000004414980 181108210 /nfs/dbraw/zinc/10/82/10/181108210.db2.gz DPEFQNQXDZKCGK-UHFFFAOYSA-N 0 0 301.302 0.920 50 0 DCAARN Nc1nnc(Cn2nnc(-c3ccc4c(c3)OCO4)n2)s1 ZINC000004508899 181117840 /nfs/dbraw/zinc/11/78/40/181117840.db2.gz OUUKZVNUDRCBRT-UHFFFAOYSA-N 0 0 303.307 0.551 50 0 DCAARN CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)NC1CC1 ZINC000004564743 181125477 /nfs/dbraw/zinc/12/54/77/181125477.db2.gz YTNLURUGDURJJL-ZROIWOOFSA-N 0 0 302.330 0.985 50 0 DCAARN COC(=O)[C@@H](NC(=O)CSc1ncn(N)n1)c1ccccc1 ZINC000004629011 181130777 /nfs/dbraw/zinc/13/07/77/181130777.db2.gz RBVRTLGXTVCCCF-NSHDSACASA-N 0 0 321.362 0.115 50 0 DCAARN COCC(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000004806305 181153797 /nfs/dbraw/zinc/15/37/97/181153797.db2.gz RQRBZYIEKWWXMM-UHFFFAOYSA-N 0 0 312.347 0.464 50 0 DCAARN CC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)COc1ccccc1 ZINC000075145631 191432358 /nfs/dbraw/zinc/43/23/58/191432358.db2.gz WUDOCHJACHQKPS-OCCSQVGLSA-N 0 0 321.329 0.159 50 0 DCAARN CS(=O)(=O)c1nccn1CC(=O)N1CCc2ccccc21 ZINC000076092619 191577401 /nfs/dbraw/zinc/57/74/01/191577401.db2.gz QBERNCAKQHNYME-UHFFFAOYSA-N 0 0 305.359 0.876 50 0 DCAARN COCCNC(=O)c1c(N)n(N)c2nc3ccccc3nc21 ZINC000005030732 181193807 /nfs/dbraw/zinc/19/38/07/181193807.db2.gz LSTCJUZQBTYFQM-UHFFFAOYSA-N 0 0 300.322 0.257 50 0 DCAARN O=C(COc1ncnc2ccccc21)N1CCOC[C@H](O)C1 ZINC000077378370 191703718 /nfs/dbraw/zinc/70/37/18/191703718.db2.gz TVDABWYVUSUCDD-LLVKDONJSA-N 0 0 303.318 0.228 50 0 DCAARN CNC(=O)Cn1cnc2c(cnn2-c2cccc(C)c2C)c1=O ZINC000005169281 181212540 /nfs/dbraw/zinc/21/25/40/181212540.db2.gz UBSJJEZSGBNKNW-UHFFFAOYSA-N 0 0 311.345 0.945 50 0 DCAARN CN(C)S(=O)(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000005222275 181218471 /nfs/dbraw/zinc/21/84/71/181218471.db2.gz QSRAHVNBQBHBEK-SNVBAGLBSA-N 0 0 317.798 0.841 50 0 DCAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N(CCO)CCO ZINC000005234705 181219130 /nfs/dbraw/zinc/21/91/30/181219130.db2.gz SGJFQRQVDHVEPD-UHFFFAOYSA-N 0 0 314.190 0.969 50 0 DCAARN COCCNC(=O)C(=O)Nc1ccc2c(c1)N(C(C)=O)CCC2 ZINC000005252389 181222251 /nfs/dbraw/zinc/22/22/51/181222251.db2.gz PWMKYPWALFEAEG-UHFFFAOYSA-N 0 0 319.361 0.687 50 0 DCAARN CCOC(=O)Cc1csc(NC(=O)c2ccc(=O)[nH]n2)n1 ZINC000005251612 181222594 /nfs/dbraw/zinc/22/25/94/181222594.db2.gz QPKPFDAGPMALLQ-UHFFFAOYSA-N 0 0 308.319 0.584 50 0 DCAARN Nn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccco1 ZINC000005335919 181230950 /nfs/dbraw/zinc/23/09/50/181230950.db2.gz LTINWICDBPCDDI-SECBINFHSA-N 0 0 323.378 0.639 50 0 DCAARN CN(C)c1ccc(NC(=O)CN2CCC(C(N)=O)CC2)cc1 ZINC000005700748 181274301 /nfs/dbraw/zinc/27/43/01/181274301.db2.gz VXLYTPMLOOZRIM-UHFFFAOYSA-N 0 0 304.394 0.888 50 0 DCAARN C[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000085467189 192509864 /nfs/dbraw/zinc/50/98/64/192509864.db2.gz SYGOHHVGPGTGGU-LLVKDONJSA-N 0 0 302.371 0.513 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(C)(C)C)c1 ZINC000005917996 181295835 /nfs/dbraw/zinc/29/58/35/181295835.db2.gz DMFRVMPAVIBZCE-UHFFFAOYSA-N 0 0 315.395 0.013 50 0 DCAARN CN(C(=O)NC[C@@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 ZINC000089335157 192769835 /nfs/dbraw/zinc/76/98/35/192769835.db2.gz VKVGFNVBWCOXPM-STQMWFEESA-N 0 0 324.402 0.819 50 0 DCAARN Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(=O)n(C)n2)o1 ZINC000089652799 192835160 /nfs/dbraw/zinc/83/51/60/192835160.db2.gz QFPGVNLQVLNVIU-LBPRGKRZSA-N 0 0 303.318 0.895 50 0 DCAARN NS(=O)(=O)c1cccc(C(=O)NCCCn2cccn2)c1 ZINC000089780742 192865061 /nfs/dbraw/zinc/86/50/61/192865061.db2.gz WEQLPNZJSYIFNJ-UHFFFAOYSA-N 0 0 308.363 0.351 50 0 DCAARN O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CNC(=O)N1 ZINC000089788153 192870275 /nfs/dbraw/zinc/87/02/75/192870275.db2.gz FGMIOSWPQOVHBF-MFKMUULPSA-N 0 0 322.796 0.964 50 0 DCAARN O=S(=O)(c1cnn(-c2ccccc2F)c1)N1CC[C@@H](O)C1 ZINC000089821320 192879006 /nfs/dbraw/zinc/87/90/06/192879006.db2.gz FZEWGCBQEDQXBB-SNVBAGLBSA-N 0 0 311.338 0.767 50 0 DCAARN CCOC(=O)C1=C(COC(=O)c2ccco2)NC(=O)N[C@H]1C ZINC000006122999 181314707 /nfs/dbraw/zinc/31/47/07/181314707.db2.gz GBYPJIMGSDNOIU-QMMMGPOBSA-N 0 0 308.290 0.955 50 0 DCAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000006314911 181329319 /nfs/dbraw/zinc/32/93/19/181329319.db2.gz NWGLJVLLFUIDKM-UHFFFAOYSA-N 0 0 310.375 0.775 50 0 DCAARN O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)NCc1ccco1 ZINC000409413166 239276404 /nfs/dbraw/zinc/27/64/04/239276404.db2.gz BXGIPQNVBSIGSW-GFCCVEGCSA-N 0 0 317.301 1.000 50 0 DCAARN COCCOc1cc(C(=O)NC[C@H](O)c2ccccn2)ccn1 ZINC000244975118 202511716 /nfs/dbraw/zinc/51/17/16/202511716.db2.gz ICGSVQVRNCUVHC-AWEZNQCLSA-N 0 0 317.345 0.965 50 0 DCAARN COC(=O)c1ccc(NC(=O)c2n[nH]c(-n3cnnc3)n2)cc1 ZINC000006668370 181368133 /nfs/dbraw/zinc/36/81/33/181368133.db2.gz GNAVCEFAELMLDT-UHFFFAOYSA-N 0 0 313.277 0.424 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nncs2)C1 ZINC000006747029 181381791 /nfs/dbraw/zinc/38/17/91/181381791.db2.gz KSDXTHWSHICFNA-MRVPVSSYSA-N 0 0 304.397 0.538 50 0 DCAARN CNC(=O)C(=O)NCC1(c2ccc(OC)cc2)CCOCC1 ZINC000006757826 181383760 /nfs/dbraw/zinc/38/37/60/181383760.db2.gz HFEITMVIAIPTGN-UHFFFAOYSA-N 0 0 306.362 0.606 50 0 DCAARN COC(=O)c1cccc(CCNC(=O)Nc2ncnn2C)c1 ZINC000091184797 193014493 /nfs/dbraw/zinc/01/44/93/193014493.db2.gz KLIJJTCSLXFTHY-UHFFFAOYSA-N 0 0 303.322 0.966 50 0 DCAARN COCC[C@@]1(CO)CCCN(C(=O)CCS(C)(=O)=O)C1 ZINC000091289211 193031791 /nfs/dbraw/zinc/03/17/91/193031791.db2.gz MYUOETBWQPLAJW-ZDUSSCGKSA-N 0 0 307.412 0.059 50 0 DCAARN CC(C)=CC[C@@]1(CO)CCCN(C(=O)Cn2nnnc2C)C1 ZINC000091326045 193039924 /nfs/dbraw/zinc/03/99/24/193039924.db2.gz IPEVXDVMRSVFQH-HNNXBMFYSA-N 0 0 307.398 0.939 50 0 DCAARN COc1cnc(N2C[C@@H](CN3CCOCC3)C[C@H](CO)C2)nc1 ZINC000091381514 193048816 /nfs/dbraw/zinc/04/88/16/193048816.db2.gz MNRHGZMXQUYSTB-KGLIPLIRSA-N 0 0 322.409 0.252 50 0 DCAARN CCN1C[C@H](C(=O)NCc2nc(CSC)no2)CCC1=O ZINC000091410172 193051376 /nfs/dbraw/zinc/05/13/76/193051376.db2.gz WXHLWYMESFLHGX-SECBINFHSA-N 0 0 312.395 0.807 50 0 DCAARN CN(Cc1noc2c1CCCC2)C(=O)CN1C(=O)CNC1=O ZINC000091410887 193051986 /nfs/dbraw/zinc/05/19/86/193051986.db2.gz OYBUQFUTKORACM-UHFFFAOYSA-N 0 0 306.322 0.064 50 0 DCAARN C[C@@H](O)CN1CC2(CCC1=O)CCN(Cc1ncc[nH]1)CC2 ZINC000091416487 193053289 /nfs/dbraw/zinc/05/32/89/193053289.db2.gz ZQUXFIRQXGNASG-CYBMUJFWSA-N 0 0 306.410 0.995 50 0 DCAARN CN(Cc1cnc2ccccc2n1)C(=O)CN1C(=O)CNC1=O ZINC000091434883 193054942 /nfs/dbraw/zinc/05/49/42/193054942.db2.gz KRCPLCZMSXQHQW-UHFFFAOYSA-N 0 0 313.317 0.140 50 0 DCAARN CC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)C[C@@H](O)C1 ZINC000091585543 193075716 /nfs/dbraw/zinc/07/57/16/193075716.db2.gz FORBRAOTMRJGDV-CQSZACIVSA-N 0 0 306.362 0.483 50 0 DCAARN Cc1n[nH]c(C)c1CCCN(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC000091595956 193078052 /nfs/dbraw/zinc/07/80/52/193078052.db2.gz VXCHMLFZLUINBG-GFCCVEGCSA-N 0 0 321.381 0.406 50 0 DCAARN CC(C)c1cc(C(=O)NCCN2CCNC2=O)nc2ncnn21 ZINC000091602389 193078430 /nfs/dbraw/zinc/07/84/30/193078430.db2.gz CJWCDXYPSBZVSH-UHFFFAOYSA-N 0 0 317.353 0.003 50 0 DCAARN Cc1cnc(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@]3(C(=O)[O-])C2)cn1 ZINC000091505020 193066019 /nfs/dbraw/zinc/06/60/19/193066019.db2.gz BUECGLGALWDHNQ-NHYWBVRUSA-N 0 0 304.350 0.264 50 0 DCAARN OC[C@@H](O)Cn1cc(-c2ccc(Oc3ncccn3)cc2)nn1 ZINC000091503904 193066424 /nfs/dbraw/zinc/06/64/24/193066424.db2.gz ZDSCOPSDMGRNLF-LBPRGKRZSA-N 0 0 313.317 0.881 50 0 DCAARN CCc1nnc(CN(CC)C(=O)CN2CCC(C(N)=O)CC2)o1 ZINC000091707588 193094930 /nfs/dbraw/zinc/09/49/30/193094930.db2.gz AFTJZMUEXJQATH-UHFFFAOYSA-N 0 0 323.397 0.178 50 0 DCAARN O=C(CCCn1cncn1)N1CCC2(CC1)OCCC[C@H]2O ZINC000091793175 193109023 /nfs/dbraw/zinc/10/90/23/193109023.db2.gz BQZLSQKNEJKCFF-CYBMUJFWSA-N 0 0 308.382 0.591 50 0 DCAARN C[C@@H]1CN(Cc2nc(C(N)=O)no2)CC[C@@]1(O)C1CCOCC1 ZINC000091819216 193112515 /nfs/dbraw/zinc/11/25/15/193112515.db2.gz 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193154731 /nfs/dbraw/zinc/15/47/31/193154731.db2.gz RBYAYASOWVUCOS-ZDUSSCGKSA-N 0 0 314.345 0.077 50 0 DCAARN COCCn1cnnc1CN(C)C(=O)c1[nH]nc(N)c1Cl ZINC000219279702 201552718 /nfs/dbraw/zinc/55/27/18/201552718.db2.gz HJBCCXGWCDJOIT-UHFFFAOYSA-N 0 0 313.749 0.155 50 0 DCAARN Cc1n[nH]cc1CN(C)C(=O)[C@@H](c1ccccc1)n1cnnn1 ZINC000219611683 201560827 /nfs/dbraw/zinc/56/08/27/201560827.db2.gz PTWUTMPZINOJCH-CQSZACIVSA-N 0 0 311.349 0.953 50 0 DCAARN COc1ccc(N2C[C@H](NC(=O)c3cnc[nH]3)CC2=O)cc1 ZINC000219961387 201568964 /nfs/dbraw/zinc/56/89/64/201568964.db2.gz WXCHDQWGYUCGTD-SNVBAGLBSA-N 0 0 300.318 0.954 50 0 DCAARN COc1cccc2c1OC[C@H](CNS(=O)(=O)N(C)C)C2 ZINC000095368843 193434748 /nfs/dbraw/zinc/43/47/48/193434748.db2.gz GEVBNSXYYBJIBM-JTQLQIEISA-N 0 0 300.380 0.642 50 0 DCAARN COCC(=O)Nc1cccc(NC(=O)NC[C@H](O)CO)c1C ZINC000096136087 193549415 /nfs/dbraw/zinc/54/94/15/193549415.db2.gz KWZAOFGZSOAMSM-JTQLQIEISA-N 0 0 311.338 0.055 50 0 DCAARN CC/C=C(\C)C(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000096309197 193612569 /nfs/dbraw/zinc/61/25/69/193612569.db2.gz LIOGAVCBSWZRKP-OMEBZCPDSA-N 0 0 318.439 0.898 50 0 DCAARN C[C@@H](Nc1ccc(F)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000008727282 181579554 /nfs/dbraw/zinc/57/95/54/181579554.db2.gz VKXJAOXKZKNCEN-MRVPVSSYSA-N 0 0 320.324 0.489 50 0 DCAARN COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)NCCCO ZINC000009306198 181612528 /nfs/dbraw/zinc/61/25/28/181612528.db2.gz UVGOMEQFHRILBE-UHFFFAOYSA-N 0 0 314.363 0.589 50 0 DCAARN COc1ccc(C)cc1NCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000009339065 181616086 /nfs/dbraw/zinc/61/60/86/181616086.db2.gz XKGIVJYEGCUWKV-LLVKDONJSA-N 0 0 312.391 0.719 50 0 DCAARN CC(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000009113926 181602258 /nfs/dbraw/zinc/60/22/58/181602258.db2.gz UOMRJXCPAKVIBE-UHFFFAOYSA-N 0 0 315.395 0.184 50 0 DCAARN C[C@@H](C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1)n1cncn1 ZINC000096500666 193672839 /nfs/dbraw/zinc/67/28/39/193672839.db2.gz QUDNVKBHJQBHOY-VIFPVBQESA-N 0 0 315.312 0.748 50 0 DCAARN Cn1c(COc2cccc3c2CCC3=O)cc(=O)n(C)c1=O ZINC000010198268 181660993 /nfs/dbraw/zinc/66/09/93/181660993.db2.gz FRRWGAYTPWWXQP-UHFFFAOYSA-N 0 0 300.314 0.792 50 0 DCAARN Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCCC2=O)cc1 ZINC000011511820 181692291 /nfs/dbraw/zinc/69/22/91/181692291.db2.gz XKOJSNRLLMLPHC-UHFFFAOYSA-N 0 0 318.329 0.417 50 0 DCAARN COc1ccc(C(=O)NCCn2ncccc2=O)cc1OC ZINC000011856243 181711730 /nfs/dbraw/zinc/71/17/30/181711730.db2.gz LHURKUUAMZZNQK-UHFFFAOYSA-N 0 0 303.318 0.691 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N(C)Cc1cnn(C)c1C ZINC000014250031 181943420 /nfs/dbraw/zinc/94/34/20/181943420.db2.gz DECDAVJQVFRSNX-UHFFFAOYSA-N 0 0 311.411 0.900 50 0 DCAARN Cc1ccccc1C(=O)N1CCN(C(=O)c2nonc2N)CC1 ZINC000015670947 182010972 /nfs/dbraw/zinc/01/09/72/182010972.db2.gz GVTOGAXLGIIBAM-UHFFFAOYSA-N 0 0 315.333 0.558 50 0 DCAARN CNC(=O)COC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000016329613 182040027 /nfs/dbraw/zinc/04/00/27/182040027.db2.gz KOBDZJNHNZWJEN-JTQLQIEISA-N 0 0 300.355 0.923 50 0 DCAARN NC(=O)c1ccc(COC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000016551136 182049026 /nfs/dbraw/zinc/04/90/26/182049026.db2.gz AVFNKGFAAOXBLA-NSHDSACASA-N 0 0 311.359 0.654 50 0 DCAARN O=C(NCCCO)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000016649893 182055905 /nfs/dbraw/zinc/05/59/05/182055905.db2.gz WXHPXEMICSYJJF-UHFFFAOYSA-N 0 0 307.375 0.747 50 0 DCAARN CC(=O)NCCCNS(=O)(=O)c1cccc2nsnc21 ZINC000019080001 182103884 /nfs/dbraw/zinc/10/38/84/182103884.db2.gz UBPZVTFOLJWKGS-UHFFFAOYSA-N 0 0 314.392 0.496 50 0 DCAARN CC(=O)C[C@@]1(O)c2ccccc2N(CN2CCOCC2)C1=O ZINC000019228803 182108920 /nfs/dbraw/zinc/10/89/20/182108920.db2.gz DLOKZIXFOSXYHC-MRXNPFEDSA-N 0 0 304.346 0.490 50 0 DCAARN COc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1F ZINC000019618988 182133660 /nfs/dbraw/zinc/13/36/60/182133660.db2.gz AJOKSZUZZMDMAB-UHFFFAOYSA-N 0 0 318.370 0.445 50 0 DCAARN Cc1cc(C)c(OC[C@H](O)CN2CCN(CCO)CC2)c(C)c1 ZINC000019770820 182145402 /nfs/dbraw/zinc/14/54/02/182145402.db2.gz WGZWASWNFQPPFI-QGZVFWFLSA-N 0 0 322.449 0.961 50 0 DCAARN CCc1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1 ZINC000019794628 182149930 /nfs/dbraw/zinc/14/99/30/182149930.db2.gz JQBPAAMCXRUYPO-UHFFFAOYSA-N 0 0 305.378 0.636 50 0 DCAARN Nc1nnc(CCNS(=O)(=O)c2ccc(F)cc2)s1 ZINC000020201335 182196743 /nfs/dbraw/zinc/19/67/43/182196743.db2.gz FYTCPTRMIRDIAO-UHFFFAOYSA-N 0 0 302.356 0.780 50 0 DCAARN CN1CC[NH+]([C@@H](CC(=O)Nc2cccc(O)c2)C(=O)[O-])CC1 ZINC000020363113 182211985 /nfs/dbraw/zinc/21/19/85/182211985.db2.gz UEGUKWRVKLSGJN-ZDUSSCGKSA-N 0 0 307.350 0.421 50 0 DCAARN CC(=O)Nc1ccc(OCc2noc(C(=O)NCCO)n2)cc1 ZINC000020715442 182242710 /nfs/dbraw/zinc/24/27/10/182242710.db2.gz WHYIKAQBCLIYIS-UHFFFAOYSA-N 0 0 320.305 0.329 50 0 DCAARN C[C@@H](OC(=O)c1ccc2c(c1)OCCCO2)C(=O)NC(N)=O ZINC000021417540 182273604 /nfs/dbraw/zinc/27/36/04/182273604.db2.gz NLXHJXRBMQHZKE-MRVPVSSYSA-N 0 0 308.290 0.588 50 0 DCAARN CCOC(=O)CCN1CCN(Cc2ccccc2)C(=O)C1=O ZINC000021155190 182267772 /nfs/dbraw/zinc/26/77/72/182267772.db2.gz OHJYPOIJHLSAGC-UHFFFAOYSA-N 0 0 304.346 0.811 50 0 DCAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1nncs1 ZINC000021213006 182269635 /nfs/dbraw/zinc/26/96/35/182269635.db2.gz OAKHZMROJJXFDG-UHFFFAOYSA-N 0 0 303.303 0.180 50 0 DCAARN CCN(CC)S(=O)(=O)c1ccc(N(C)CC(=O)NC)nc1 ZINC000022385152 182319883 /nfs/dbraw/zinc/31/98/83/182319883.db2.gz MDSZDBHSSVVIAL-UHFFFAOYSA-N 0 0 314.411 0.294 50 0 DCAARN CC(C)C[C@H](CNC(=O)c1ccc(=O)[nH]n1)N1CCOCC1 ZINC000022969870 182343904 /nfs/dbraw/zinc/34/39/04/182343904.db2.gz QZHHEFIKPLOJSM-GFCCVEGCSA-N 0 0 308.382 0.659 50 0 DCAARN CC(C)C[C@@H](CNC(=O)c1nccnc1N)N1CCOCC1 ZINC000022970632 182343993 /nfs/dbraw/zinc/34/39/93/182343993.db2.gz UJOYJFISUYZMOU-LBPRGKRZSA-N 0 0 307.398 0.536 50 0 DCAARN CCCn1c2ccccc2n(CC(=O)NCCNC(C)=O)c1=O ZINC000022759007 182333125 /nfs/dbraw/zinc/33/31/25/182333125.db2.gz UKZYAMXXPGVKIL-UHFFFAOYSA-N 0 0 318.377 0.465 50 0 DCAARN O=C(CN1CCN(CCO)CC1)N1CCc2ccccc2C1 ZINC000022810190 182336057 /nfs/dbraw/zinc/33/60/57/182336057.db2.gz BTCCAJIRKXDDQL-UHFFFAOYSA-N 0 0 303.406 0.181 50 0 DCAARN Cc1ccccc1CN1CCN(CC(=O)N2CCNC2=O)CC1 ZINC000022927225 182342714 /nfs/dbraw/zinc/34/27/14/182342714.db2.gz NDZCPMZGIANHMM-UHFFFAOYSA-N 0 0 316.405 0.664 50 0 DCAARN CS(=O)(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000024776836 182391047 /nfs/dbraw/zinc/39/10/47/182391047.db2.gz OEGVVGRVWBNJRG-UHFFFAOYSA-N 0 0 300.355 0.933 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCN(C(=O)C3CC3)CC2)on1 ZINC000024595791 182384652 /nfs/dbraw/zinc/38/46/52/182384652.db2.gz ZYFBPGJULVJVJR-LLVKDONJSA-N 0 0 306.366 0.864 50 0 DCAARN C[C@@H](CNS(=O)(=O)c1ccc(F)cc1F)N1CCOCC1 ZINC000024682073 182386783 /nfs/dbraw/zinc/38/67/83/182386783.db2.gz HQAZVFSXIZWWBS-JTQLQIEISA-N 0 0 320.361 0.964 50 0 DCAARN NS(=O)(=O)c1ccc(NC(=O)NCCCn2ccnc2)cc1 ZINC000024690664 182387756 /nfs/dbraw/zinc/38/77/56/182387756.db2.gz QFOUSAXKDJXNIE-UHFFFAOYSA-N 0 0 323.378 0.742 50 0 DCAARN Cc1nnc(COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)o1 ZINC000024910763 182394974 /nfs/dbraw/zinc/39/49/74/182394974.db2.gz AIMCLFJSQXGWPU-UWVGGRQHSA-N 0 0 307.306 0.596 50 0 DCAARN CCCCn1nnnc1CN1C(=O)N[C@@]2(CCSC2)C1=O ZINC000026492994 182443794 /nfs/dbraw/zinc/44/37/94/182443794.db2.gz OZBLSHRFRGYYMS-GFCCVEGCSA-N 0 0 310.383 0.401 50 0 DCAARN O=C(CNC(=O)COc1ccccc1)NCCCn1cccn1 ZINC000030168060 182584620 /nfs/dbraw/zinc/58/46/20/182584620.db2.gz CUBOOHGEQPSROC-UHFFFAOYSA-N 0 0 316.361 0.585 50 0 DCAARN Cc1ccc(OCCC(=O)NCCNS(C)(=O)=O)c(C)c1 ZINC000031971145 182630668 /nfs/dbraw/zinc/63/06/68/182630668.db2.gz HHWCHTSRFWZNKL-UHFFFAOYSA-N 0 0 314.407 0.738 50 0 DCAARN COC(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000032900761 182675736 /nfs/dbraw/zinc/67/57/36/182675736.db2.gz BBRBTADFMINBJX-LBPRGKRZSA-N 0 0 323.370 0.797 50 0 DCAARN COCCNC(=O)CSc1nc2ccccc2n(C)c1=O ZINC000033006569 182688265 /nfs/dbraw/zinc/68/82/65/182688265.db2.gz ITEQZQZFMYKLOR-UHFFFAOYSA-N 0 0 307.375 0.788 50 0 DCAARN O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cnccn1 ZINC000038630206 183004125 /nfs/dbraw/zinc/00/41/25/183004125.db2.gz NMNWBHWFHNGSNE-ZDUSSCGKSA-N 0 0 302.334 0.873 50 0 DCAARN O=C1[C@@H]2[C@H]3C[C@H]([C@H](O)[C@H]3O)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000038690053 183006270 /nfs/dbraw/zinc/00/62/70/183006270.db2.gz JHVMYMCZPFIKFZ-FQIARQCESA-N 0 0 307.733 0.817 50 0 DCAARN O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)N1CCOCC1 ZINC000038756114 183009069 /nfs/dbraw/zinc/00/90/69/183009069.db2.gz DFFOVVWWFWLEKY-JTQLQIEISA-N 0 0 321.402 0.628 50 0 DCAARN CS(=O)(=O)N1CC[C@@H](C(=O)NC2CC2)Oc2ccccc21 ZINC000038850119 183011437 /nfs/dbraw/zinc/01/14/37/183011437.db2.gz MJAVUEPHMQKLDU-ZDUSSCGKSA-N 0 0 310.375 0.882 50 0 DCAARN CCCCn1nnnc1CS(=O)(=O)CC(=O)N[C@H](C)CC ZINC000040106210 183035674 /nfs/dbraw/zinc/03/56/74/183035674.db2.gz FPFKFHLVSVPJPL-SNVBAGLBSA-N 0 0 317.415 0.303 50 0 DCAARN CSc1nn(CC(N)=O)c2nc3sc(C)cc3c(=O)n12 ZINC000040285588 183051423 /nfs/dbraw/zinc/05/14/23/183051423.db2.gz TWGIMBNWFYUORH-UHFFFAOYSA-N 0 0 309.376 0.621 50 0 DCAARN C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000225659677 296263015 /nfs/dbraw/zinc/26/30/15/296263015.db2.gz OHLLQRSKMTUMGH-ZCFIWIBFSA-N 0 0 307.734 0.383 50 0 DCAARN CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000040476263 183075072 /nfs/dbraw/zinc/07/50/72/183075072.db2.gz URXOBELJLMFUJL-UHFFFAOYSA-N 0 0 317.798 0.986 50 0 DCAARN C[C@H]1CN(C(=O)COc2ccc(S(C)(=O)=O)cc2)CCO1 ZINC000040479310 183076949 /nfs/dbraw/zinc/07/69/49/183076949.db2.gz YSVDDXPARXOBFY-NSHDSACASA-N 0 0 313.375 0.716 50 0 DCAARN O=C(c1cccs1)N1CCC[C@@H](C(=O)N2CCNC(=O)C2)C1 ZINC000040496206 183081044 /nfs/dbraw/zinc/08/10/44/183081044.db2.gz AOWAEPUFQMTVBJ-LLVKDONJSA-N 0 0 321.402 0.559 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1 ZINC000040497657 183081682 /nfs/dbraw/zinc/08/16/82/183081682.db2.gz JZRLNKTTYFCHKX-GXFFZTMASA-N 0 0 312.391 0.892 50 0 DCAARN CC(=O)N1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000040501592 183083297 /nfs/dbraw/zinc/08/32/97/183083297.db2.gz QTFLITNVYPUVHW-LBPRGKRZSA-N 0 0 303.428 0.517 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)CSc1cccs1 ZINC000040511027 183086896 /nfs/dbraw/zinc/08/68/96/183086896.db2.gz KFOJUXJNHSCCGT-UHFFFAOYSA-N 0 0 308.450 0.896 50 0 DCAARN CC[C@H]1CN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CCO1 ZINC000040511339 183087137 /nfs/dbraw/zinc/08/71/37/183087137.db2.gz ICFFUFYQPROALX-NSHDSACASA-N 0 0 312.391 0.893 50 0 DCAARN C[C@@H](CNC(=O)c1cnc2sccn2c1=O)N1CCOCC1 ZINC000040512404 183087547 /nfs/dbraw/zinc/08/75/47/183087547.db2.gz GVRPWKVTAOETFL-JTQLQIEISA-N 0 0 322.390 0.207 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CCO1 ZINC000040512839 183088241 /nfs/dbraw/zinc/08/82/41/183088241.db2.gz CFUBCUXJMPSMJJ-CHWSQXEVSA-N 0 0 303.362 0.677 50 0 DCAARN CCN1CCN(C(=O)c2cccc(-c3nnnn3C)c2)CC1 ZINC000040773302 183131609 /nfs/dbraw/zinc/13/16/09/183131609.db2.gz PQXVAKQUDDKCIJ-UHFFFAOYSA-N 0 0 300.366 0.655 50 0 DCAARN COc1cc(C)c(C)cc1S(=O)(=O)N(CCO)CCO ZINC000041096523 183165639 /nfs/dbraw/zinc/16/56/39/183165639.db2.gz XCGKSJHWCPCBHV-UHFFFAOYSA-N 0 0 303.380 0.287 50 0 DCAARN CCOC(=O)N1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1 ZINC000041591408 183207429 /nfs/dbraw/zinc/20/74/29/183207429.db2.gz RKJIOKIQQWAYGL-UHFFFAOYSA-N 0 0 308.338 0.131 50 0 DCAARN O=C(CN1CCCC1=O)NCc1ccnc(N2CCCC2)c1 ZINC000042663486 183294577 /nfs/dbraw/zinc/29/45/77/183294577.db2.gz PHPYHKYTPVJJQH-UHFFFAOYSA-N 0 0 302.378 0.920 50 0 DCAARN CC(C)CCN1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000042871920 183316119 /nfs/dbraw/zinc/31/61/19/183316119.db2.gz KMDSFPXJXSNEMZ-CYBMUJFWSA-N 0 0 317.455 0.547 50 0 DCAARN NC(=O)CN1CCC(NC(=O)Cc2noc3ccccc23)CC1 ZINC000043121895 183339227 /nfs/dbraw/zinc/33/92/27/183339227.db2.gz WOBYGPNZUHNPMN-UHFFFAOYSA-N 0 0 316.361 0.436 50 0 DCAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCCNC(C)=O ZINC000043140478 183340739 /nfs/dbraw/zinc/34/07/39/183340739.db2.gz AQUCIMCSIAHJLV-CYBMUJFWSA-N 0 0 321.377 0.994 50 0 DCAARN COC(=O)N1CCC(CNS(=O)(=O)c2cccnc2)CC1 ZINC000043956691 183390196 /nfs/dbraw/zinc/39/01/96/183390196.db2.gz OCAYVNJKFSFACR-UHFFFAOYSA-N 0 0 313.379 0.838 50 0 DCAARN COC(=O)N1CCC(CNC(=O)c2cccn(C)c2=O)CC1 ZINC000043982130 183391953 /nfs/dbraw/zinc/39/19/53/183391953.db2.gz YOUXIIZPNOUNKF-UHFFFAOYSA-N 0 0 307.350 0.594 50 0 DCAARN CC[C@H](C)c1ccccc1OCC(=O)NC(C(N)=O)C(N)=O ZINC000044020447 183392820 /nfs/dbraw/zinc/39/28/20/183392820.db2.gz BACSUVMHARMGAG-VIFPVBQESA-N 0 0 307.350 0.034 50 0 DCAARN CC(=O)c1c(C)[nH]c(C(=O)NC[C@H]2CCS(=O)(=O)C2)c1C ZINC000044718226 183434631 /nfs/dbraw/zinc/43/46/31/183434631.db2.gz ZSANYUSIEKOIMR-LLVKDONJSA-N 0 0 312.391 0.999 50 0 DCAARN C[C@H]1COCCN1C(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC000044915036 183456494 /nfs/dbraw/zinc/45/64/94/183456494.db2.gz LHFRWNYGEBKJRW-NSHDSACASA-N 0 0 312.391 0.514 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)Nc2ccccc21 ZINC000044894781 183450915 /nfs/dbraw/zinc/45/09/15/183450915.db2.gz KGIKJVUPDROMIJ-KOLCDFICSA-N 0 0 308.359 0.416 50 0 DCAARN O=C([O-])c1n[nH]cc1CN1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000215063106 304216601 /nfs/dbraw/zinc/21/66/01/304216601.db2.gz QFNQMPTYEHDLCE-CYBMUJFWSA-N 0 0 308.382 0.795 50 0 DCAARN CC(C)COC1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 ZINC000055911647 184000314 /nfs/dbraw/zinc/00/03/14/184000314.db2.gz NXOUVFWGPSTGKB-UHFFFAOYSA-N 0 0 306.428 0.541 50 0 DCAARN CCOC(=O)C1(NS(=O)(=O)c2cnn(C)c2)CCCCC1 ZINC000056095066 184004728 /nfs/dbraw/zinc/00/47/28/184004728.db2.gz LJCYXZRMJAPHNO-UHFFFAOYSA-N 0 0 315.395 0.964 50 0 DCAARN COc1ccc(OCCCNC(=O)N2CC[C@H](C(N)=O)C2)cc1 ZINC000056955800 184022497 /nfs/dbraw/zinc/02/24/97/184022497.db2.gz XOVYVKBYUKTYNM-LBPRGKRZSA-N 0 0 321.377 0.981 50 0 DCAARN COCCCNC(=O)CN(C)C(=O)c1cccc(N(C)C)c1 ZINC000057992616 184065576 /nfs/dbraw/zinc/06/55/76/184065576.db2.gz WOLRDCIVWLCELM-UHFFFAOYSA-N 0 0 307.394 0.977 50 0 DCAARN CCS(=O)(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000058174829 184084986 /nfs/dbraw/zinc/08/49/86/184084986.db2.gz CSRHEPJNBKQCRX-UHFFFAOYSA-N 0 0 314.382 0.862 50 0 DCAARN Cc1ccn2cc(C(=O)N[C@H](C)C(=O)N3CCOCC3)nc2c1 ZINC000058225223 184090474 /nfs/dbraw/zinc/09/04/74/184090474.db2.gz DGHKDBYEKMJOJF-GFCCVEGCSA-N 0 0 316.361 0.620 50 0 DCAARN Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCNC3=O)CC2=O)cc1 ZINC000058280197 184098674 /nfs/dbraw/zinc/09/86/74/184098674.db2.gz KTIUTCYNRIXJQZ-TZMCWYRMSA-N 0 0 315.373 0.743 50 0 DCAARN C[C@H](NC(=O)COc1ccc(F)cc1)C(=O)N1CCOCC1 ZINC000058401424 184113076 /nfs/dbraw/zinc/11/30/76/184113076.db2.gz WQJIRQDKEXVGQO-NSHDSACASA-N 0 0 310.325 0.568 50 0 DCAARN Cc1noc2ncc(C(=O)N[C@H](C)C(=O)N3CCOCC3)cc12 ZINC000058406416 184114179 /nfs/dbraw/zinc/11/41/79/184114179.db2.gz MNLTZOHLLMFGRE-SNVBAGLBSA-N 0 0 318.333 0.508 50 0 DCAARN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000059390249 184137816 /nfs/dbraw/zinc/13/78/16/184137816.db2.gz HJVKRYRASCAUIE-NSHDSACASA-N 0 0 300.355 0.565 50 0 DCAARN CN(CC(N)=O)C(=O)CCc1nc(-c2ccc(F)cc2)no1 ZINC000060564959 184152260 /nfs/dbraw/zinc/15/22/60/184152260.db2.gz OZKQUKKKTMTDGD-UHFFFAOYSA-N 0 0 306.297 0.752 50 0 DCAARN CN(C)c1ncnc2c1CN(CC(=O)NC[C@H]1CCCO1)CC2 ZINC000062639868 184246174 /nfs/dbraw/zinc/24/61/74/184246174.db2.gz HWMLWDORAVSPBZ-GFCCVEGCSA-N 0 0 319.409 0.196 50 0 DCAARN CCOC(=O)CN(C)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000063485345 184283015 /nfs/dbraw/zinc/28/30/15/184283015.db2.gz AXYUNENYKVUUJW-UHFFFAOYSA-N 0 0 303.322 0.226 50 0 DCAARN CCCCNC(=O)Cn1ccc2c1n(CC)c(=O)n(CC)c2=O ZINC000065030820 184308809 /nfs/dbraw/zinc/30/88/09/184308809.db2.gz PRFISWHUKDIGPC-UHFFFAOYSA-N 0 0 320.393 0.921 50 0 DCAARN CCc1ncc(C(=O)NCCn2nc3ccccn3c2=O)s1 ZINC000065108532 184310986 /nfs/dbraw/zinc/31/09/86/184310986.db2.gz GEPPCTXJBPOXHJ-UHFFFAOYSA-N 0 0 317.374 0.945 50 0 DCAARN NC(=O)Cn1c2csnc2c(=O)n(Cc2ccccc2)c1=O ZINC000065184876 184314055 /nfs/dbraw/zinc/31/40/55/184314055.db2.gz ZABZJHIUJSWCSS-UHFFFAOYSA-N 0 0 316.342 0.153 50 0 DCAARN Cc1nn2c(nc(C)c2S(=O)(=O)N2CCOCC2)s1 ZINC000065183684 184314089 /nfs/dbraw/zinc/31/40/89/184314089.db2.gz SAZPMSHREGXQEK-UHFFFAOYSA-N 0 0 302.381 0.429 50 0 DCAARN CNC(=O)c1noc(CN2CC=C([C@H](C)N(C)C(C)=O)CC2)n1 ZINC000065384722 184333145 /nfs/dbraw/zinc/33/31/45/184333145.db2.gz VSZAUKQZBNEZOA-JTQLQIEISA-N 0 0 321.381 0.428 50 0 DCAARN O=C(N[C@@H]1CCN(c2ncnc3c2CCC3)C1)c1cnccn1 ZINC000065288163 184322506 /nfs/dbraw/zinc/32/25/06/184322506.db2.gz NPYHYMTXEDAUEC-LLVKDONJSA-N 0 0 310.361 0.764 50 0 DCAARN COc1ccc(-n2cnnn2)c(NC(=O)C(=O)NCC(C)C)c1 ZINC000065373149 184330843 /nfs/dbraw/zinc/33/08/43/184330843.db2.gz BEMUUPINRJRVCN-UHFFFAOYSA-N 0 0 318.337 0.382 50 0 DCAARN Cc1c(-c2nccn2CC(N)=O)c(=O)n(-c2ccccc2)n1C ZINC000065425350 184342437 /nfs/dbraw/zinc/34/24/37/184342437.db2.gz NLCTWGKVGHGDTJ-UHFFFAOYSA-N 0 0 311.345 0.833 50 0 DCAARN COCCN1C[C@@H](C(=O)N2CC(n3nc(C)cc3C)C2)CC1=O ZINC000065429269 184343332 /nfs/dbraw/zinc/34/33/32/184343332.db2.gz WEMCNACFMTZOET-ZDUSSCGKSA-N 0 0 320.393 0.378 50 0 DCAARN NC(=O)Cn1cc(NC(=O)N(C[C@@H]2CCOC2)C2CC2)cn1 ZINC000065437100 184345320 /nfs/dbraw/zinc/34/53/20/184345320.db2.gz XYLKJLQDUSXPKE-JTQLQIEISA-N 0 0 307.354 0.401 50 0 DCAARN O=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H]1CCc2nccn2C1 ZINC000065475835 184351977 /nfs/dbraw/zinc/35/19/77/184351977.db2.gz ZPCBVKZWSVXLMK-CYBMUJFWSA-N 0 0 323.360 0.533 50 0 DCAARN COc1cc(CNC(=O)[C@@H](C)SC)ccc1OCC(N)=O ZINC000065479153 184352518 /nfs/dbraw/zinc/35/25/18/184352518.db2.gz DGEXZEDPMJLCFK-SECBINFHSA-N 0 0 312.391 0.927 50 0 DCAARN O=C(NCCN1CCCS1(=O)=O)c1scnc1Cl ZINC000065405931 184338688 /nfs/dbraw/zinc/33/86/88/184338688.db2.gz GJZIECBLCXOFGE-UHFFFAOYSA-N 0 0 309.800 0.562 50 0 DCAARN COC(=O)CN1CCN(Cc2cccc3c2OCO3)[C@H](C)C1=O ZINC000065526101 184359367 /nfs/dbraw/zinc/35/93/67/184359367.db2.gz RYHOJGUITYDETC-LLVKDONJSA-N 0 0 320.345 0.621 50 0 DCAARN O=c1ccn(CCc2nnc(CCc3ccccc3)[nH]2)c(=O)[nH]1 ZINC000065527414 184360452 /nfs/dbraw/zinc/36/04/52/184360452.db2.gz YIDMJLPEMIZPKN-UHFFFAOYSA-N 0 0 311.345 0.683 50 0 DCAARN CS(=O)(=O)N1CCC(CNC(=O)Nc2ccccn2)CC1 ZINC000065537927 184363333 /nfs/dbraw/zinc/36/33/33/184363333.db2.gz PMYKMGTYSLDBKQ-UHFFFAOYSA-N 0 0 312.395 0.875 50 0 DCAARN CC(=O)N[C@H]1CCCN(C(=O)NCCNc2ccccn2)C1 ZINC000065565499 184367401 /nfs/dbraw/zinc/36/74/01/184367401.db2.gz BMEYRKXSQNWYNV-ZDUSSCGKSA-N 0 0 305.382 0.804 50 0 DCAARN Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)N2CCOCC2)n1 ZINC000065605264 184371560 /nfs/dbraw/zinc/37/15/60/184371560.db2.gz KLSRRDNCLMVVLQ-ZDUSSCGKSA-N 0 0 320.393 0.508 50 0 DCAARN CCn1ccnc1CN1CCc2nc(N(C)C)[nH]c(=O)c2CC1 ZINC000065494896 184354858 /nfs/dbraw/zinc/35/48/58/184354858.db2.gz ZUKVJWYWAOZCAX-UHFFFAOYSA-N 0 0 316.409 0.653 50 0 DCAARN CC(C)O[C@H]1CN(CC(=O)NCCc2ccc(F)cc2)C[C@@H]1O ZINC000065505190 184356167 /nfs/dbraw/zinc/35/61/67/184356167.db2.gz QDLJJIPMHLFNQD-HOTGVXAUSA-N 0 0 324.396 0.955 50 0 DCAARN O=C(Cn1nnc(-c2ccco2)n1)N[C@H]1CCc2nccn2C1 ZINC000065516229 184357990 /nfs/dbraw/zinc/35/79/90/184357990.db2.gz RILYZPUHWBQCLQ-JTQLQIEISA-N 0 0 313.321 0.261 50 0 DCAARN Cc1cccc(C)c1-n1nnnc1CN1CC[C@@H](C(N)=O)C1 ZINC000065516243 184358039 /nfs/dbraw/zinc/35/80/39/184358039.db2.gz FVLONOGLQVWCMY-GFCCVEGCSA-N 0 0 300.366 0.586 50 0 DCAARN COC[C@]1(C)NC(=O)N(CC(=O)N2CCCCCCC2)C1=O ZINC000066083122 184388210 /nfs/dbraw/zinc/38/82/10/184388210.db2.gz UWZZSYGQVGPWCD-HNNXBMFYSA-N 0 0 311.382 0.736 50 0 DCAARN CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1cccnc1 ZINC000112708187 194508344 /nfs/dbraw/zinc/50/83/44/194508344.db2.gz OBONVDIZNNTSJE-SNVBAGLBSA-N 0 0 306.409 0.525 50 0 DCAARN COc1cccc(OCc2cc(C(=O)NC(CO)CO)[nH]n2)c1 ZINC000067677352 184478898 /nfs/dbraw/zinc/47/88/98/184478898.db2.gz FYRMMUMXOIECST-UHFFFAOYSA-N 0 0 321.333 0.080 50 0 DCAARN COC(=O)[C@H](C)NC(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000069464737 184517751 /nfs/dbraw/zinc/51/77/51/184517751.db2.gz NLLSSDAZBOCJCT-YVNMAJEFSA-N 0 0 320.411 0.162 50 0 DCAARN O=S(=O)(c1c[nH]cn1)N1CCN(Cc2ccncc2)CC1 ZINC000070416521 252584579 /nfs/dbraw/zinc/58/45/79/252584579.db2.gz JNGHVGNSVSDVDU-UHFFFAOYSA-N 0 0 307.379 0.311 50 0 DCAARN C[C@H](OCC(F)(F)F)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042882187 299554447 /nfs/dbraw/zinc/55/44/47/299554447.db2.gz PVIKUVKEMCUBPK-JGVFFNPUSA-N 0 0 303.302 0.599 50 0 DCAARN C[C@@H]1CCCN(S(=O)(=O)N2CC[S@@](=O)C(C)(C)C2)C1 ZINC000195537946 296395852 /nfs/dbraw/zinc/39/58/52/296395852.db2.gz JLFMOXVMVIMJGU-ADLMAVQZSA-N 0 0 308.469 0.806 50 0 DCAARN COC(=O)CNC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O ZINC000524734197 257213207 /nfs/dbraw/zinc/21/32/07/257213207.db2.gz GYJFCSXPROWZTF-UHFFFAOYSA-N 0 0 319.317 0.172 50 0 DCAARN COC(=O)c1cn(NC(=O)c2cccnc2)cc2c(=O)[nH]nc1-2 ZINC000524733005 257213894 /nfs/dbraw/zinc/21/38/94/257213894.db2.gz LAVVAZSHMPWDQQ-UHFFFAOYSA-N 0 0 313.273 0.654 50 0 DCAARN CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000358881049 257236229 /nfs/dbraw/zinc/23/62/29/257236229.db2.gz CYPMIDMPRFRQNA-CYBMUJFWSA-N 0 0 301.364 0.587 50 0 DCAARN Cc1nccn1Cc1cccc(CNC(=O)[C@@H]2COCCN2)c1 ZINC000237631022 257238686 /nfs/dbraw/zinc/23/86/86/257238686.db2.gz MOCMMNDWWJKWCK-INIZCTEOSA-N 0 0 314.389 0.844 50 0 DCAARN O=C(NCCc1cn[nH]c1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000426711516 257243108 /nfs/dbraw/zinc/24/31/08/257243108.db2.gz WNAWTOGNPDHJPS-UHFFFAOYSA-N 0 0 319.409 0.996 50 0 DCAARN C[C@H](C(=O)NCCc1noc(C2CCC2)n1)N1CCN(C)CC1 ZINC000426689049 257244196 /nfs/dbraw/zinc/24/41/96/257244196.db2.gz BOJDNJLJMZEQDY-GFCCVEGCSA-N 0 0 321.425 0.632 50 0 DCAARN O=C(CN1CCC[C@@H](O)C1)NCCCn1nccc1C1CC1 ZINC000426628760 257245128 /nfs/dbraw/zinc/24/51/28/257245128.db2.gz MPGGDHKHIISJFA-CQSZACIVSA-N 0 0 306.410 0.724 50 0 DCAARN Cc1cccc2nc(C(=O)NCCc3ncnn3C)c(F)n21 ZINC000426613671 257245477 /nfs/dbraw/zinc/24/54/77/257245477.db2.gz SKCPMUZIHNUCHF-UHFFFAOYSA-N 0 0 302.313 0.883 50 0 DCAARN C[C@@H]1Cc2cc(CNC(=O)CN3CCN(C)C3=O)ccc2O1 ZINC000426574748 257245801 /nfs/dbraw/zinc/24/58/01/257245801.db2.gz ATAUZICJAIEQLD-LLVKDONJSA-N 0 0 303.362 0.994 50 0 DCAARN CC(=O)N[C@H]1CCN(C(=O)NCCSc2n[nH]c(C)n2)C1 ZINC000426597177 257246374 /nfs/dbraw/zinc/24/63/74/257246374.db2.gz DZJKSZPOIDLOOB-JTQLQIEISA-N 0 0 312.399 0.125 50 0 DCAARN [NH3+]CCOc1ccc(Cl)cc1C(=O)NCCc1nnn[n-]1 ZINC000426563238 257246422 /nfs/dbraw/zinc/24/64/22/257246422.db2.gz PUDCWWZNGBVOAI-UHFFFAOYSA-N 0 0 310.745 0.163 50 0 DCAARN CO[C@]12CCN(C(=O)Cn3cccn3)[C@H]1C[C@@H](OCCO)CC2 ZINC000426489869 257248742 /nfs/dbraw/zinc/24/87/42/257248742.db2.gz FGQCNEYGDQRPEQ-OFQRWUPVSA-N 0 0 323.393 0.431 50 0 DCAARN CN(Cc1[nH]nc2c1CCCC2)C(=O)CN1C(=O)CN(C)C1=O ZINC000426477652 257249574 /nfs/dbraw/zinc/24/95/74/257249574.db2.gz XNQDXYHQIICCCN-UHFFFAOYSA-N 0 0 319.365 0.141 50 0 DCAARN O=C(N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O)C1CCOCC1 ZINC000426445183 257250311 /nfs/dbraw/zinc/25/03/11/257250311.db2.gz XJIHSFSNABWRRL-HZPDHXFCSA-N 0 0 319.405 0.560 50 0 DCAARN CC[C@@]1(C(N)=O)CCCN(C(=O)c2cn(C)c(C)cc2=O)C1 ZINC000426415229 257251287 /nfs/dbraw/zinc/25/12/87/257251287.db2.gz AOMQFQCARJFCBJ-MRXNPFEDSA-N 0 0 305.378 0.811 50 0 DCAARN C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000352741234 257261073 /nfs/dbraw/zinc/26/10/73/257261073.db2.gz DEWMYXWHDUHWIK-QJPTWQEYSA-N 0 0 316.442 0.811 50 0 DCAARN Cc1cc(NC(=O)CN2CCc3ncnc(N(C)C)c3C2)no1 ZINC000097201858 291949556 /nfs/dbraw/zinc/94/95/56/291949556.db2.gz TZHHNTVJWALRIP-UHFFFAOYSA-N 0 0 316.365 0.836 50 0 DCAARN Cc1cnn(CCC(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000071819768 184852159 /nfs/dbraw/zinc/85/21/59/184852159.db2.gz QRBNXYSJUOMFKR-UHFFFAOYSA-N 0 0 300.366 0.720 50 0 DCAARN COc1ccnc(NC2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000071840998 184865134 /nfs/dbraw/zinc/86/51/34/184865134.db2.gz PXSMDLGKBCOSKY-UHFFFAOYSA-N 0 0 319.409 0.984 50 0 DCAARN O=C(Cn1cnnn1)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000071883058 184886588 /nfs/dbraw/zinc/88/65/88/184886588.db2.gz JAUXSKAXYAAIFE-JTQLQIEISA-N 0 0 308.292 0.346 50 0 DCAARN Cc1cc(NC(=O)CCN2CCC[C@@H]2c2nc(N)n(C)n2)no1 ZINC000283968764 131037480 /nfs/dbraw/zinc/03/74/80/131037480.db2.gz IHWGSTARRPJUCN-SNVBAGLBSA-N 0 0 319.369 0.859 50 0 DCAARN Cc1cc2c(cc1S(=O)(=O)N1CCOCC1)NC(=O)CO2 ZINC000004520586 292012242 /nfs/dbraw/zinc/01/22/42/292012242.db2.gz BLVIPBZZRSSPGM-UHFFFAOYSA-N 0 0 312.347 0.347 50 0 DCAARN NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000012850749 134510315 /nfs/dbraw/zinc/51/03/15/134510315.db2.gz DJFSHRJYDJOUAZ-UHFFFAOYSA-N 0 0 314.271 0.845 50 0 DCAARN COc1ccnc(N2CCC(n3cc(CCCO)nn3)CC2)n1 ZINC000020913031 134650527 /nfs/dbraw/zinc/65/05/27/134650527.db2.gz ZPMXPDYLGYUXCF-UHFFFAOYSA-N 0 0 318.381 0.843 50 0 DCAARN CC[C@]1(C)NC(=O)N(NC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000008324137 395684420 /nfs/dbraw/zinc/68/44/20/395684420.db2.gz IHXMSWFJKQFLAY-AWEZNQCLSA-N 0 0 305.290 0.781 50 0 DCAARN COc1ccccc1NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000008771614 395684893 /nfs/dbraw/zinc/68/48/93/395684893.db2.gz PAPKMRTUVSQAII-UHFFFAOYSA-N 0 0 313.317 0.777 50 0 DCAARN COC(=O)CNC(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000008752436 395684919 /nfs/dbraw/zinc/68/49/19/395684919.db2.gz DBEMNPUFGQFYLQ-UHFFFAOYSA-N 0 0 312.322 0.685 50 0 DCAARN C[C@@H](O)CN1CC2=C(C1=O)[C@H](c1cccc(F)c1)NC(=O)N2 ZINC000008755408 395684932 /nfs/dbraw/zinc/68/49/32/395684932.db2.gz OCLSWHCROQWDJA-OQPBUACISA-N 0 0 305.309 0.657 50 0 DCAARN O=C(COc1cc(Cl)ccc1Cl)NN1CC(=O)NC1=O ZINC000009452901 395685238 /nfs/dbraw/zinc/68/52/38/395685238.db2.gz RODBWCXUNITYBM-UHFFFAOYSA-N 0 0 318.116 0.955 50 0 DCAARN COC(=O)[C@@H]1Nc2cc(C(F)(F)F)ccc2S(=O)(=O)N1 ZINC000009319751 395685270 /nfs/dbraw/zinc/68/52/70/395685270.db2.gz OERJLZSWVVSBQP-MRVPVSSYSA-N 0 0 310.253 0.908 50 0 DCAARN C[C@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)NC1CC1 ZINC000009839560 395685528 /nfs/dbraw/zinc/68/55/28/395685528.db2.gz DNDXEGFLXJQSLU-VIFPVBQESA-N 0 0 301.306 0.486 50 0 DCAARN CCOCCCNC(=O)c1c(O)nc2c(C)cccn2c1=O ZINC000009830120 395685561 /nfs/dbraw/zinc/68/55/61/395685561.db2.gz ZXMUHCFLMQZGLY-UHFFFAOYSA-N 0 0 305.334 0.865 50 0 DCAARN CCC(CC)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000009691361 395685611 /nfs/dbraw/zinc/68/56/11/395685611.db2.gz RLWNSPCOLDXSHV-UHFFFAOYSA-N 0 0 318.171 0.604 50 0 DCAARN COc1ccccc1[C@@H](C)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC000010031298 395685796 /nfs/dbraw/zinc/68/57/96/395685796.db2.gz DCWSSLXYXCCZCW-MWLCHTKSSA-N 0 0 305.334 0.861 50 0 DCAARN CCOC(=O)CCNC(=O)NCc1nnnn1C1CCCCC1 ZINC000010608587 395686131 /nfs/dbraw/zinc/68/61/31/395686131.db2.gz IHANWZFIPMPSPQ-UHFFFAOYSA-N 0 0 324.385 0.931 50 0 DCAARN C[C@H]1CN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)CCO1 ZINC000011229699 395686365 /nfs/dbraw/zinc/68/63/65/395686365.db2.gz PFBFIYWIJZCDSF-ZETCQYMHSA-N 0 0 306.149 0.797 50 0 DCAARN COC(=O)c1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1 ZINC000011637744 395686635 /nfs/dbraw/zinc/68/66/35/395686635.db2.gz DOFYUZWXLPFPMK-UHFFFAOYSA-N 0 0 304.302 0.951 50 0 DCAARN COc1cc(OC)nc(NC(=O)CSc2n[nH]c(C)n2)n1 ZINC000011710156 395686755 /nfs/dbraw/zinc/68/67/55/395686755.db2.gz VYLMCEUHLTZZRV-UHFFFAOYSA-N 0 0 310.339 0.651 50 0 DCAARN CC(C)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000012382307 395687625 /nfs/dbraw/zinc/68/76/25/395687625.db2.gz BEOWQCLMJIGECV-UHFFFAOYSA-N 0 0 306.409 0.992 50 0 DCAARN O=C(Nc1ccccn1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000012538460 395687727 /nfs/dbraw/zinc/68/77/27/395687727.db2.gz JKSZUZVRVVSLAH-UHFFFAOYSA-N 0 0 324.348 0.769 50 0 DCAARN C[C@@H](Sc1nc(N)nc(N)n1)C(=O)NCc1ccccc1 ZINC000012470005 395687740 /nfs/dbraw/zinc/68/77/40/395687740.db2.gz ITERNMXNPHBUKH-MRVPVSSYSA-N 0 0 304.379 0.833 50 0 DCAARN COc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CO ZINC000012452144 395687793 /nfs/dbraw/zinc/68/77/93/395687793.db2.gz BWUUCBKAQSRNAG-UHFFFAOYSA-N 0 0 318.329 0.997 50 0 biogenic DCAARN Cc1ccc(CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012861547 395688018 /nfs/dbraw/zinc/68/80/18/395688018.db2.gz SGIWPJFAFSXRGK-AWEZNQCLSA-N 0 0 310.419 0.730 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)OC)c1 ZINC000012796785 395688081 /nfs/dbraw/zinc/68/80/81/395688081.db2.gz SWAJIWIYAJJPGR-MRVPVSSYSA-N 0 0 301.320 0.313 50 0 DCAARN Cn1nnc2c1ncnc2SCC(=O)NCc1ccco1 ZINC000013531871 395688513 /nfs/dbraw/zinc/68/85/13/395688513.db2.gz RBEPCUYELAQABO-UHFFFAOYSA-N 0 0 304.335 0.760 50 0 DCAARN NC(=O)C(=O)N[C@@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000013623857 395688703 /nfs/dbraw/zinc/68/87/03/395688703.db2.gz IYIAZFZBGCHTOP-CQSZACIVSA-N 0 0 309.325 0.876 50 0 DCAARN Cc1cnc2n(c1=O)[C@@H](CC(=O)N1CCN(C)CC1)CS2 ZINC000014031916 395689045 /nfs/dbraw/zinc/68/90/45/395689045.db2.gz ZLONOIDHOJSGKX-NSHDSACASA-N 0 0 308.407 0.363 50 0 DCAARN CC(=O)Nc1cccc(NC(=O)CN2CCN(C(C)=O)CC2)c1 ZINC000014093149 395689142 /nfs/dbraw/zinc/68/91/42/395689142.db2.gz XAUPVHUPBFMMIK-UHFFFAOYSA-N 0 0 318.377 0.748 50 0 DCAARN Cn1ncc2c1ncn(CC(=O)Nc1nc3ccccc3[nH]1)c2=O ZINC000014048472 395689144 /nfs/dbraw/zinc/68/91/44/395689144.db2.gz JTIVRDMBGVVUOU-UHFFFAOYSA-N 0 0 323.316 0.645 50 0 DCAARN C[C@@H]1CCc2c(sc(NC(=O)Cn3cnnn3)c2C(N)=O)C1 ZINC000014230443 395689377 /nfs/dbraw/zinc/68/93/77/395689377.db2.gz BNBVFIGZMQIDFW-SSDOTTSWSA-N 0 0 320.378 0.597 50 0 DCAARN O=C(NCCc1cccnc1)N1CCN(c2ncccn2)CC1 ZINC000026312944 395694211 /nfs/dbraw/zinc/69/42/11/395694211.db2.gz WXOFXJRVXALGMB-UHFFFAOYSA-N 0 0 312.377 0.946 50 0 DCAARN O=C(NCCO)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000015063559 395689754 /nfs/dbraw/zinc/68/97/54/395689754.db2.gz QQMPRFRQGLBKNP-ZDUSSCGKSA-N 0 0 308.353 0.715 50 0 DCAARN COC(=O)C1=C(C(=O)OC)C(C(=O)OC)=C2C=CC=CN2C1 ZINC000019799525 395691097 /nfs/dbraw/zinc/69/10/97/395691097.db2.gz JNWLJJBTYMQBLD-UHFFFAOYSA-N 0 0 305.286 0.455 50 0 DCAARN Cc1cc(Cn2ncc(N3CCC[N@@H+](C)CC3)cc2=O)no1 ZINC000020542037 395691333 /nfs/dbraw/zinc/69/13/33/395691333.db2.gz RUUUKBYZLFCEHG-UHFFFAOYSA-N 0 0 303.366 0.730 50 0 DCAARN O=C(Nc1cccnc1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000024430512 395692777 /nfs/dbraw/zinc/69/27/77/395692777.db2.gz BPWQJSWHUXDWMS-UHFFFAOYSA-N 0 0 324.348 0.769 50 0 DCAARN Cn1cnnc1SC[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000025346849 395693421 /nfs/dbraw/zinc/69/34/21/395693421.db2.gz DKTDGJITZSQQNK-SECBINFHSA-N 0 0 318.358 0.564 50 0 DCAARN O=C(c1ccc(C(=O)N2CCOCC2)s1)N1CCOCC1 ZINC000000128829 395679811 /nfs/dbraw/zinc/67/98/11/395679811.db2.gz UXQNCJXYVMXZEM-UHFFFAOYSA-N 0 0 310.375 0.693 50 0 DCAARN O=C(CSc1nnnn1-c1ccccc1)N1CCNC1=O ZINC000000117193 395679874 /nfs/dbraw/zinc/67/98/74/395679874.db2.gz MTVAMSATXQCLTP-UHFFFAOYSA-N 0 0 304.335 0.306 50 0 DCAARN COc1ccc(N([C@@H](C)C(=O)N(C)C)S(C)(=O)=O)cc1 ZINC000000203183 395680111 /nfs/dbraw/zinc/68/01/11/395680111.db2.gz BVPKLCVBYZEGHN-JTQLQIEISA-N 0 0 300.380 0.938 50 0 DCAARN COC(=O)C1=C[C@@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)NN1 ZINC000000507247 395680441 /nfs/dbraw/zinc/68/04/41/395680441.db2.gz ZRRPDEBQUBBBAS-AWEZNQCLSA-N 0 0 321.720 0.864 50 0 DCAARN CN(Cc1ccccc1)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000000863344 395680631 /nfs/dbraw/zinc/68/06/31/395680631.db2.gz BWCVNCIMWSAMKA-UHFFFAOYSA-N 0 0 313.361 0.523 50 0 DCAARN COc1ccc(N([C@H]2C=CS(=O)(=O)C2)S(C)(=O)=O)cc1 ZINC000001254067 395680680 /nfs/dbraw/zinc/68/06/80/395680680.db2.gz GUOOLDPDPJXVKU-NSHDSACASA-N 0 0 317.388 0.772 50 0 DCAARN O=C(NCC1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@@H]1CCCO1 ZINC000001456990 395680794 /nfs/dbraw/zinc/68/07/94/395680794.db2.gz XYSSQLSRICWXBQ-KBPBESRZSA-N 0 0 310.394 0.699 50 0 DCAARN COCCCNC(=O)CNS(=O)(=O)c1ccc(OC)cc1 ZINC000002065690 395681269 /nfs/dbraw/zinc/68/12/69/395681269.db2.gz YCYAYVQAOAYTDM-UHFFFAOYSA-N 0 0 316.379 0.126 50 0 DCAARN C[C@@H](OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(N)=O ZINC000002647564 395681718 /nfs/dbraw/zinc/68/17/18/395681718.db2.gz ULHBGDPEZFQJMA-SNVBAGLBSA-N 0 0 301.302 0.322 50 0 DCAARN Cn1ccc(-c2nnc(SCC(N)=O)n2C[C@@H]2CCCO2)n1 ZINC000002774862 395681816 /nfs/dbraw/zinc/68/18/16/395681816.db2.gz UYEVAHDWRQGSCD-VIFPVBQESA-N 0 0 322.394 0.435 50 0 DCAARN CCOC(=O)c1ccc(NC(=O)C(=O)NCCCOC)cc1 ZINC000002864705 395681879 /nfs/dbraw/zinc/68/18/79/395681879.db2.gz YVKDEPYFWHTWSB-UHFFFAOYSA-N 0 0 308.334 0.955 50 0 DCAARN C[C@H]1CCc2onc(C(=O)Nc3cnn(C)c3C(N)=O)c2C1 ZINC000002805570 395681897 /nfs/dbraw/zinc/68/18/97/395681897.db2.gz FAQBUTPIEFUABC-ZETCQYMHSA-N 0 0 303.322 0.884 50 0 DCAARN COCCNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000003280106 395682382 /nfs/dbraw/zinc/68/23/82/395682382.db2.gz OFUPXZQHVGOKLO-INIZCTEOSA-N 0 0 317.345 0.143 50 0 DCAARN CCOC(=O)[C@H]1CCCN(C(=O)CSc2nncn2C)C1 ZINC000003237158 395682388 /nfs/dbraw/zinc/68/23/88/395682388.db2.gz OPLCZAUPJQEMNO-JTQLQIEISA-N 0 0 312.395 0.709 50 0 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URESZLFAHVMLPI-BIIVOSGPSA-N 0 0 304.140 0.904 50 0 DCAARN O=C(NCCNc1cc(-n2cccc2)ncn1)[C@@H]1CCCO1 ZINC000085557412 395701523 /nfs/dbraw/zinc/70/15/23/395701523.db2.gz UKTHTJXXPIZSKO-LBPRGKRZSA-N 0 0 301.350 0.974 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)Cn2cccn2)c1 ZINC000031396654 395706765 /nfs/dbraw/zinc/70/67/65/395706765.db2.gz XEQMLRIXIWFTMJ-NSHDSACASA-N 0 0 322.390 0.610 50 0 DCAARN CNC(=O)NC(=O)CCn1nnc(-c2ccc(Cl)cc2)n1 ZINC000031655487 395707759 /nfs/dbraw/zinc/70/77/59/395707759.db2.gz BPIAMQLUWQNHMZ-UHFFFAOYSA-N 0 0 308.729 0.839 50 0 DCAARN COC[C@H](O)CN(C)C(=O)NCCc1cn2ccccc2n1 ZINC000089340102 395710122 /nfs/dbraw/zinc/71/01/22/395710122.db2.gz PPGVUXAEGDDSES-CYBMUJFWSA-N 0 0 306.366 0.526 50 0 DCAARN O=c1c2nccnc2ncn1Cc1ccccc1-n1cncn1 ZINC000032547814 395711432 /nfs/dbraw/zinc/71/14/32/395711432.db2.gz LYKINBJQZQQFBD-UHFFFAOYSA-N 0 0 305.301 0.816 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1cccc(F)c1 ZINC000032715889 395712777 /nfs/dbraw/zinc/71/27/77/395712777.db2.gz OFFURJKNYAILGS-CYBMUJFWSA-N 0 0 314.382 0.908 50 0 DCAARN NS(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1 ZINC000032709610 395712808 /nfs/dbraw/zinc/71/28/08/395712808.db2.gz LNMLCDAVDCWVMV-UHFFFAOYSA-N 0 0 315.439 0.909 50 0 DCAARN CCNC(=O)CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1 ZINC000032777741 395713468 /nfs/dbraw/zinc/71/34/68/395713468.db2.gz RGHQUKMGGXKBHL-SSDOTTSWSA-N 0 0 305.381 0.200 50 0 DCAARN CCCCN(C)S(=O)(=O)NCCNC(=O)c1ccco1 ZINC000032825692 395713607 /nfs/dbraw/zinc/71/36/07/395713607.db2.gz PJXWHCIUNSUFFO-UHFFFAOYSA-N 0 0 303.384 0.576 50 0 DCAARN COC(=O)c1cccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032912394 395714373 /nfs/dbraw/zinc/71/43/73/395714373.db2.gz OUARLAIHPNFTGS-ZYHUDNBSSA-N 0 0 309.343 0.623 50 0 DCAARN Cc1nnc2ccc(C(=O)N3CCN(C[C@@H](C)O)CC3)cn12 ZINC000089740910 395714483 /nfs/dbraw/zinc/71/44/83/395714483.db2.gz GPLGIMPQGCNVCC-LLVKDONJSA-N 0 0 303.366 0.176 50 0 DCAARN Cc1nccn1-c1ccc(CNC(=O)[C@@H]2CNC(=O)N2)cc1F ZINC000089735868 395714505 /nfs/dbraw/zinc/71/45/05/395714505.db2.gz QXKARVDUCWHBKU-LBPRGKRZSA-N 0 0 317.324 0.617 50 0 DCAARN CN(CCCNC(=O)[C@@]1(C)CC1(Cl)Cl)S(C)(=O)=O ZINC000032915125 395714723 /nfs/dbraw/zinc/71/47/23/395714723.db2.gz AMNNNYMACMJTHN-SECBINFHSA-N 0 0 317.238 0.968 50 0 DCAARN Cc1nn(CN2CCC[C@@H](NS(C)(=O)=O)C2)c(=S)n1C ZINC000032916168 395714815 /nfs/dbraw/zinc/71/48/15/395714815.db2.gz BPXVPBRLKBXMCJ-SNVBAGLBSA-N 0 0 319.456 0.231 50 0 DCAARN Cn1cc(CCNC(=O)N2CCC[C@H](c3nncn3C)C2)cn1 ZINC000089755682 395714874 /nfs/dbraw/zinc/71/48/74/395714874.db2.gz FIXRSYNSBHGGEV-ZDUSSCGKSA-N 0 0 317.397 0.680 50 0 DCAARN Cn1cc(S(=O)(=O)NC[C@]2(O)CCCc3ccccc32)cn1 ZINC000089756579 395714984 /nfs/dbraw/zinc/71/49/84/395714984.db2.gz QXJIGVFWPJSUCP-OAHLLOKOSA-N 0 0 321.402 0.923 50 0 DCAARN Cn1ccc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)n1 ZINC000089756676 395714990 /nfs/dbraw/zinc/71/49/90/395714990.db2.gz RJZQVEDKZBPMEI-ZDUSSCGKSA-N 0 0 314.345 0.786 50 0 DCAARN O=C(NCCCn1cncn1)NC[C@@H](O)c1ccccc1F ZINC000089813257 395715417 /nfs/dbraw/zinc/71/54/17/395715417.db2.gz VUDZBZPRDFNRRF-CYBMUJFWSA-N 0 0 307.329 0.840 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000089904340 395716652 /nfs/dbraw/zinc/71/66/52/395716652.db2.gz YKDBUIQSDMOUOW-MNOVXSKESA-N 0 0 300.384 0.100 50 0 DCAARN Cc1nc(CNC(=O)CN2C(=O)c3ccccc3C2=O)no1 ZINC000033328261 395717039 /nfs/dbraw/zinc/71/70/39/395717039.db2.gz NGAPPLUCXOTJFO-UHFFFAOYSA-N 0 0 300.274 0.290 50 0 DCAARN COc1ccc(Cc2nnc(SC)n(N)c2=O)cc1OC ZINC000034213434 395718341 /nfs/dbraw/zinc/71/83/41/395718341.db2.gz GNLLTPHSXAECRK-UHFFFAOYSA-N 0 0 308.363 0.682 50 0 DCAARN Cc1ccc(N2C(=O)C[C@H](N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000035686491 395721172 /nfs/dbraw/zinc/72/11/72/395721172.db2.gz MPVACWMXHVRPFD-YPMHNXCESA-N 0 0 322.386 0.404 50 0 DCAARN COCC(=O)N(C)CC(=O)c1c(C)c(C(=O)OC)n(C)c1C ZINC000036014569 395721766 /nfs/dbraw/zinc/72/17/66/395721766.db2.gz UQILIYWKBNJESM-UHFFFAOYSA-N 0 0 310.350 0.716 50 0 DCAARN COCc1nnc(NC(=O)C2(n3cnnn3)CCCCC2)s1 ZINC000036366809 395723410 /nfs/dbraw/zinc/72/34/10/395723410.db2.gz YSVDDKQOXKTPKT-UHFFFAOYSA-N 0 0 323.382 0.969 50 0 DCAARN O=C(CSCc1nc2ccccc2c(=O)[nH]1)Nc1nc[nH]n1 ZINC000036354187 395723439 /nfs/dbraw/zinc/72/34/39/395723439.db2.gz SWWVRBGRCSRMCP-UHFFFAOYSA-N 0 0 316.346 0.913 50 0 DCAARN Cc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1C ZINC000026522430 395694350 /nfs/dbraw/zinc/69/43/50/395694350.db2.gz UOZLVPUBTUGEMR-UHFFFAOYSA-N 0 0 321.402 0.953 50 0 DCAARN CN(C)S(=O)(=O)NCc1ccccc1CN1CCCC1=O ZINC000026832303 395694590 /nfs/dbraw/zinc/69/45/90/395694590.db2.gz NCPPFAGODVRTRO-UHFFFAOYSA-N 0 0 311.407 0.705 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)NCc2cccs2)CC1 ZINC000028421856 395696009 /nfs/dbraw/zinc/69/60/09/395696009.db2.gz BFNJGLOTZZWUDL-UHFFFAOYSA-N 0 0 310.423 0.758 50 0 DCAARN CCOc1ccccc1OCCCC(=O)NN1CC(=O)NC1=O ZINC000029018540 395696604 /nfs/dbraw/zinc/69/66/04/395696604.db2.gz FRPANLULTNDQKJ-UHFFFAOYSA-N 0 0 321.333 0.827 50 0 DCAARN O=C(CN1CCNC(=O)C1)Nc1ccnn1Cc1cccs1 ZINC000028932873 395696821 /nfs/dbraw/zinc/69/68/21/395696821.db2.gz VGDDCLDTBHVEOU-UHFFFAOYSA-N 0 0 319.390 0.363 50 0 DCAARN O=C(c1ccccc1OC[C@@H]1CCCO1)N1CCNC(=O)C1 ZINC000029558520 395698608 /nfs/dbraw/zinc/69/86/08/395698608.db2.gz NPOMJPDCVXZGCY-LBPRGKRZSA-N 0 0 304.346 0.816 50 0 DCAARN CN1C[C@@H](C(=O)NCc2ccnc(N3CCOCC3)c2)CC1=O ZINC000029665629 395699031 /nfs/dbraw/zinc/69/90/31/395699031.db2.gz FGPHQDSGHNUGCB-ZDUSSCGKSA-N 0 0 318.377 0.013 50 0 DCAARN CC[C@H](C)N(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000037110839 395726090 /nfs/dbraw/zinc/72/60/90/395726090.db2.gz DZYNVFWHMYXZSP-VIFPVBQESA-N 0 0 306.409 0.753 50 0 DCAARN COCCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000096181762 395747093 /nfs/dbraw/zinc/74/70/93/395747093.db2.gz QYTDEPOKOXXABA-CABCVRRESA-N 0 0 324.352 0.877 50 0 DCAARN Cn1nnnc1COc1cccc(C(=O)N2CCSCC2)c1 ZINC000096192607 395748280 /nfs/dbraw/zinc/74/82/80/395748280.db2.gz ZYEQCHNADNBJEQ-UHFFFAOYSA-N 0 0 319.390 0.978 50 0 DCAARN COc1coc(Cn2c3ccccc3c(=O)n(C)c2=O)cc1=O ZINC000096191845 395748295 /nfs/dbraw/zinc/74/82/95/395748295.db2.gz VBJPAIJTHCJWRZ-UHFFFAOYSA-N 0 0 314.297 0.710 50 0 DCAARN CC(C)c1cc(C(=O)NCCN2CCOCC2)nc(N(C)C)n1 ZINC000096101160 395744331 /nfs/dbraw/zinc/74/43/31/395744331.db2.gz DFXOMOUNHMUOBH-UHFFFAOYSA-N 0 0 321.425 0.728 50 0 DCAARN CCc1c(C)nc(N2CCN(CC(=O)NC3CC3)CC2)[nH]c1=O ZINC000096124733 395745574 /nfs/dbraw/zinc/74/55/74/395745574.db2.gz BGVGGESALCVFGT-UHFFFAOYSA-N 0 0 319.409 0.041 50 0 DCAARN CC(=O)N[C@@H]1CCN(C(=O)Nc2ccc3[nH]c(=O)oc3c2)C1 ZINC000096131421 395745697 /nfs/dbraw/zinc/74/56/97/395745697.db2.gz MGKHHLQDVDAYDM-SNVBAGLBSA-N 0 0 304.306 0.863 50 0 DCAARN O=C([O-])[C@]12CN(Cc3ncc[nH]3)C[C@H]1C[N@@H+](C1CCOCC1)C2 ZINC000096132113 395745787 /nfs/dbraw/zinc/74/57/87/395745787.db2.gz IRJBNNGVDMDTKA-LRDDRELGSA-N 0 0 320.393 0.407 50 0 DCAARN Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1CC(=O)N(CC3CC3)C1)C2 ZINC000097198464 395755487 /nfs/dbraw/zinc/75/54/87/395755487.db2.gz AJSGJWIFTAPWFM-UONOGXRCSA-N 0 0 316.405 0.881 50 0 DCAARN NC(=O)c1cccc(OCC(=O)N[C@@H]2CCc3nccn3C2)c1 ZINC000097197708 395755645 /nfs/dbraw/zinc/75/56/45/395755645.db2.gz UUNHGNZDMLPXDK-GFCCVEGCSA-N 0 0 314.345 0.492 50 0 DCAARN C[C@@H]1CCCN(C(=O)CS(=O)(=O)CCCC(=O)N(C)C)C1 ZINC000097325373 395756957 /nfs/dbraw/zinc/75/69/57/395756957.db2.gz QLCGBZIBBBJORJ-GFCCVEGCSA-N 0 0 318.439 0.528 50 0 DCAARN CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCC(=O)OC ZINC000097299723 395757082 /nfs/dbraw/zinc/75/70/82/395757082.db2.gz FLNQEBALFLZMGG-CYNRKNSPSA-N 0 0 300.380 0.533 50 0 DCAARN C[C@@H](O)CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000097403804 395757407 /nfs/dbraw/zinc/75/74/07/395757407.db2.gz WMEVKFJYSLQLFF-SNVBAGLBSA-N 0 0 307.325 0.801 50 0 DCAARN Cc1cc(O)cc(=O)n1CC(=O)NCc1nnc2ccccn21 ZINC000096232383 395751154 /nfs/dbraw/zinc/75/11/54/395751154.db2.gz BFUXSPRIBAYGTH-UHFFFAOYSA-N 0 0 313.317 0.221 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000097603274 395759075 /nfs/dbraw/zinc/75/90/75/395759075.db2.gz QAYVVOFXGGKFCE-VXGBXAGGSA-N 0 0 303.318 0.185 50 0 DCAARN O=C(NCCCN1CCCC1=O)c1ccccc1-c1nn[nH]n1 ZINC000097642229 395759523 /nfs/dbraw/zinc/75/95/23/395759523.db2.gz KUPQTAORCIWVSN-UHFFFAOYSA-N 0 0 314.349 0.609 50 0 DCAARN Cc1cc2cccc(C(=O)N3CCN(CCO)C[C@@H](O)C3)c2o1 ZINC000097655602 395759535 /nfs/dbraw/zinc/75/95/35/395759535.db2.gz JQVKUWMXHRZNHC-CQSZACIVSA-N 0 0 318.373 0.852 50 0 DCAARN COCC1(C(=O)N2CCN(Cc3ccco3)C[C@@H](O)C2)CC1 ZINC000097679788 395759799 /nfs/dbraw/zinc/75/97/99/395759799.db2.gz FPUMCMMIDAJQAQ-CYBMUJFWSA-N 0 0 308.378 0.711 50 0 DCAARN COCCN(Cc1cccnc1)C(=O)[C@@H]1CCC(=O)NC(=O)N1 ZINC000097694676 395760052 /nfs/dbraw/zinc/76/00/52/395760052.db2.gz MIQZOLYYUPJUFF-LBPRGKRZSA-N 0 0 320.349 0.045 50 0 DCAARN CCC1=NO[C@H](CNC(=O)c2ccc(-n3cnnc3)nc2)C1 ZINC000097732412 395760185 /nfs/dbraw/zinc/76/01/85/395760185.db2.gz WWNVVTDTPVNZMZ-LBPRGKRZSA-N 0 0 300.322 0.947 50 0 DCAARN Cn1cnnc1CCC(=O)N1CCN(Cc2cccnc2)CC1 ZINC000097743246 395760401 /nfs/dbraw/zinc/76/04/01/395760401.db2.gz XMPCZZOQWWUPBQ-UHFFFAOYSA-N 0 0 314.393 0.487 50 0 DCAARN CCn1nc(C(C)C)cc1C(=O)NCCS(=O)(=O)N(C)C ZINC000097744629 395760436 /nfs/dbraw/zinc/76/04/36/395760436.db2.gz LISWLMLADUXPKS-UHFFFAOYSA-N 0 0 316.427 0.648 50 0 DCAARN CN1CCN([C@H]2CN(Cc3nc4ccccc4[nH]3)C[C@@H]2O)CC1 ZINC000097823308 395760978 /nfs/dbraw/zinc/76/09/78/395760978.db2.gz CUCLWVLHWSJLQE-HOTGVXAUSA-N 0 0 315.421 0.355 50 0 DCAARN O=C(/C=C/c1ccccn1)N1CCC2(CC1)NC(=O)NC2=O ZINC000097907376 395761128 /nfs/dbraw/zinc/76/11/28/395761128.db2.gz ZMCVIFKQBCDCIG-SNAWJCMRSA-N 0 0 300.318 0.295 50 0 DCAARN CCOC(=O)C1NNC2=C1C(=O)N(c1cccc(Cl)c1)C2=O ZINC000100048844 395762059 /nfs/dbraw/zinc/76/20/59/395762059.db2.gz PPLVVAOSJGTMLN-UWVGGRQHSA-N 0 0 321.720 0.720 50 0 DCAARN Cn1c2ccccc2c([O-])c(C(=O)NCCC[NH+](C)C)c1=O ZINC000100706989 395763566 /nfs/dbraw/zinc/76/35/66/395763566.db2.gz MOEXVZKGYJOPBI-UHFFFAOYSA-N 0 0 303.362 0.926 50 0 DCAARN CC1(C)O[C@@H]2[C@H](CO)O[C@@H](n3ccc(=O)[nH]c3=S)[C@H]2O1 ZINC000101365221 395764098 /nfs/dbraw/zinc/76/40/98/395764098.db2.gz YZPAYNHRIOAAHF-QRYDPKPESA-N 0 0 300.336 0.316 50 0 DCAARN COc1ccc(CCNc2c(=O)c(=O)c2NCC[NH+](C)C)cc1 ZINC000101691156 395766554 /nfs/dbraw/zinc/76/65/54/395766554.db2.gz ZALSKAQZAWJENZ-UHFFFAOYSA-N 0 0 317.389 0.919 50 0 DCAARN O=C(NCc1nnc2ccccn21)c1ccccc1-n1cnnn1 ZINC000045898841 395768061 /nfs/dbraw/zinc/76/80/61/395768061.db2.gz SRMNOBATZJWYNB-UHFFFAOYSA-N 0 0 320.316 0.635 50 0 DCAARN NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CC=C(C(F)(F)F)CC2)O1 ZINC000270522699 395778935 /nfs/dbraw/zinc/77/89/35/395778935.db2.gz UCSJEXULLDMGNX-ZJUUUORDSA-N 0 0 321.299 0.923 50 0 DCAARN COC(=O)c1nn(CC(=O)Nc2cnn(C)n2)c2ccccc21 ZINC000048159220 395809165 /nfs/dbraw/zinc/80/91/65/395809165.db2.gz KEZMBDNEUNPUQA-UHFFFAOYSA-N 0 0 314.305 0.590 50 0 DCAARN O=C(Cn1cc(Br)ccc1=O)NC1CCOCC1 ZINC000048287860 395812399 /nfs/dbraw/zinc/81/23/99/395812399.db2.gz SRYDWVYNAGBWQT-UHFFFAOYSA-N 0 0 315.167 0.906 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000048302006 395813261 /nfs/dbraw/zinc/81/32/61/395813261.db2.gz PDTMCSACGRJCHB-UHFFFAOYSA-N 0 0 304.318 0.682 50 0 DCAARN COc1nn(C)cc1C(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000049030464 395826873 /nfs/dbraw/zinc/82/68/73/395826873.db2.gz GNBWGUHIZAQNAE-UHFFFAOYSA-N 0 0 320.393 0.903 50 0 DCAARN COCCCNC(=O)NCCS(=O)(=O)c1ccccc1 ZINC000049030179 395827237 /nfs/dbraw/zinc/82/72/37/395827237.db2.gz DMKYHYFHBVQJCE-UHFFFAOYSA-N 0 0 300.380 0.796 50 0 DCAARN O=C(Nc1cnn(CCN2CCOCC2)c1)C(F)(F)Cl ZINC000195570581 395832224 /nfs/dbraw/zinc/83/22/24/395832224.db2.gz IPUGWIPNWHFOKS-UHFFFAOYSA-N 0 0 308.716 0.985 50 0 DCAARN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1c[nH]c2ncccc12 ZINC000114740990 395836524 /nfs/dbraw/zinc/83/65/24/395836524.db2.gz QFCHFCNTWJQNBV-SECBINFHSA-N 0 0 318.362 0.448 50 0 DCAARN CC(C)(C)n1ncc2c1ncnc2N1CC[C@H](CO)[C@@H](O)C1 ZINC000225405577 395860205 /nfs/dbraw/zinc/86/02/05/395860205.db2.gz SIKPKTUDNCQPTQ-PWSUYJOCSA-N 0 0 305.382 0.761 50 0 DCAARN Nc1ccnc(N2CCN(Cc3nccs3)C[C@@H](O)C2)n1 ZINC000217756972 395840764 /nfs/dbraw/zinc/84/07/64/395840764.db2.gz PHCGAULAZWCAIS-SNVBAGLBSA-N 0 0 306.395 0.198 50 0 DCAARN CC[C@@H](NC(=O)c1c[nH]nc1-n1cnnn1)c1cc(C)ccn1 ZINC000219316593 395845613 /nfs/dbraw/zinc/84/56/13/395845613.db2.gz RGAJNVZYVAECIF-LLVKDONJSA-N 0 0 312.337 0.970 50 0 DCAARN COc1ccc2[nH]c(CCN(C)C(=O)Cn3cnnn3)nc2c1 ZINC000221281895 395850164 /nfs/dbraw/zinc/85/01/64/395850164.db2.gz IWXTVLSQDAAOEC-UHFFFAOYSA-N 0 0 315.337 0.259 50 0 DCAARN CN(C)c1nc(N)nc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)n1 ZINC000222088575 395851786 /nfs/dbraw/zinc/85/17/86/395851786.db2.gz JULNLXXPQISSIH-VXNVDRBHSA-N 0 0 320.319 0.407 50 0 DCAARN CCc1nccn1CCNC(=O)Cn1c(C)cc(C)nc1=O ZINC000223149712 395854277 /nfs/dbraw/zinc/85/42/77/395854277.db2.gz VLJXDDLKZMWKTR-UHFFFAOYSA-N 0 0 303.366 0.435 50 0 DCAARN COCc1noc(CNC(=O)C2=C(C)N3CCN=C3S2)n1 ZINC000223596960 395855601 /nfs/dbraw/zinc/85/56/01/395855601.db2.gz DISRLUUHNOQQFI-UHFFFAOYSA-N 0 0 309.351 0.482 50 0 DCAARN O=C(CCOc1ccccc1)N1C[C@H](O)[C@@H](N2CCOCC2)C1 ZINC000223536942 395855674 /nfs/dbraw/zinc/85/56/74/395855674.db2.gz FIRISTOVLIJRPX-HOTGVXAUSA-N 0 0 320.389 0.359 50 0 DCAARN Cc1ccc2c(c1)c(CNC(=O)CN1C(=O)CNC1=O)nn2C ZINC000223762894 395856698 /nfs/dbraw/zinc/85/66/98/395856698.db2.gz SSEVAJLACHKXOZ-UHFFFAOYSA-N 0 0 315.333 0.050 50 0 DCAARN CCC[C@@H](NC(=O)CCn1ccc(=O)[nH]c1=O)c1nccn1C ZINC000223835833 395856704 /nfs/dbraw/zinc/85/67/04/395856704.db2.gz AOURAZQLTAVMPX-LLVKDONJSA-N 0 0 319.365 0.318 50 0 DCAARN COCC(=O)N1CCc2[nH]c(-c3ccc(C(N)=O)cc3)nc2C1 ZINC000223729668 395856826 /nfs/dbraw/zinc/85/68/26/395856826.db2.gz FIEOODUQFRIITM-UHFFFAOYSA-N 0 0 314.345 0.707 50 0 DCAARN CN(C)c1nc(N)nc(COc2cccc(S(C)(=O)=O)c2)n1 ZINC000047363754 395791567 /nfs/dbraw/zinc/79/15/67/395791567.db2.gz FLSSHHLFUFOGJY-UHFFFAOYSA-N 0 0 323.378 0.502 50 0 DCAARN Cc1oc(-c2cccs2)nc1CC(=O)OCC(=O)NC(N)=O ZINC000047480550 395793666 /nfs/dbraw/zinc/79/36/66/395793666.db2.gz KSCLHGBOYQFDSV-UHFFFAOYSA-N 0 0 323.330 0.992 50 0 DCAARN O=C1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CCN1 ZINC000054258072 395896073 /nfs/dbraw/zinc/89/60/73/395896073.db2.gz UZPGCYNCBJVBRA-UHFFFAOYSA-N 0 0 316.810 0.936 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCNC2=O)cc1 ZINC000054321111 395897602 /nfs/dbraw/zinc/89/76/02/395897602.db2.gz LOMMKTOUZYYHHW-NSHDSACASA-N 0 0 323.374 0.133 50 0 DCAARN O=C(NC[C@@H]1COCCO1)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000055846878 395922741 /nfs/dbraw/zinc/92/27/41/395922741.db2.gz BLYUKWUYCWZASA-TZMCWYRMSA-N 0 0 308.309 0.850 50 0 DCAARN COCc1cccc(C(=O)N[C@@H]2CCN(C(C)=O)C[C@H]2O)c1 ZINC000244811597 395925059 /nfs/dbraw/zinc/92/50/59/395925059.db2.gz SHNWZLBJWVHZAS-HUUCEWRRSA-N 0 0 306.362 0.545 50 0 DCAARN COc1ccc([C@@H](NC(=O)c2[nH]nnc2C)[C@H]2C[C@@H](O)C2)cn1 ZINC000244873026 395925964 /nfs/dbraw/zinc/92/59/64/395925964.db2.gz WIXNHXFYPJQNEI-UHIISALHSA-N 0 0 317.349 0.759 50 0 DCAARN CNC(=O)c1noc(CN(C)Cc2nc3ccccc3n2C)n1 ZINC000244899928 395926875 /nfs/dbraw/zinc/92/68/75/395926875.db2.gz ZTDAFXDAKXKTBD-UHFFFAOYSA-N 0 0 314.349 0.948 50 0 DCAARN O=c1n(Cc2noc(-c3cnsn3)n2)nc2ccccn21 ZINC000225552502 395861848 /nfs/dbraw/zinc/86/18/48/395861848.db2.gz ATIPYGIGYSTEEI-UHFFFAOYSA-N 0 0 301.291 0.446 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000225755601 395862922 /nfs/dbraw/zinc/86/29/22/395862922.db2.gz LWPHYBCBMRIFOR-NSHDSACASA-N 0 0 315.395 0.528 50 0 DCAARN COC(=O)[C@@H](O)[C@H](O)C(=O)OCc1ccc(OC(F)F)cc1 ZINC000225840447 395863635 /nfs/dbraw/zinc/86/36/35/395863635.db2.gz TXPNOKHPICUWDF-UWVGGRQHSA-N 0 0 320.244 0.226 50 0 DCAARN Cn1nc2c(cc1=O)C[C@@H](NC(=O)c1cc(C3CC3)on1)CC2 ZINC000225787502 395863902 /nfs/dbraw/zinc/86/39/02/395863902.db2.gz CDBVUUBONPDYRD-NSHDSACASA-N 0 0 314.345 0.933 50 0 DCAARN NC(=O)COc1ccc(S(=O)(=O)NCCc2ccco2)cc1 ZINC000226687665 395867189 /nfs/dbraw/zinc/86/71/89/395867189.db2.gz VBQMMPURTCVPHW-UHFFFAOYSA-N 0 0 324.358 0.665 50 0 DCAARN CCNS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(F)c1 ZINC000226686986 395867330 /nfs/dbraw/zinc/86/73/30/395867330.db2.gz RVBBHUBVUQZXIG-UHFFFAOYSA-N 0 0 304.343 0.591 50 0 DCAARN O=C(NCCN1CCOCC1)c1cn(-c2ccccc2)cn1 ZINC000227115981 395867967 /nfs/dbraw/zinc/86/79/67/395867967.db2.gz WRLVAQKNROWAOH-UHFFFAOYSA-N 0 0 300.362 0.934 50 0 DCAARN CCNC(=O)NC(=O)CN(CC(=O)OC)Cc1ccccc1C ZINC000052864947 395871798 /nfs/dbraw/zinc/87/17/98/395871798.db2.gz FDAYMILKAPVKDY-UHFFFAOYSA-N 0 0 321.377 0.816 50 0 DCAARN CCc1nnc(CN2CCN(C(=O)c3cc(C)no3)CC2)o1 ZINC000052965079 395874484 /nfs/dbraw/zinc/87/44/84/395874484.db2.gz HVXVWICRPCRSPZ-UHFFFAOYSA-N 0 0 305.338 0.886 50 0 DCAARN O=C(NCc1cc[nH]n1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000053049388 395875881 /nfs/dbraw/zinc/87/58/81/395875881.db2.gz GSPVGXWZARJUQW-UHFFFAOYSA-N 0 0 324.362 0.717 50 0 DCAARN O=C(CCNC(=O)c1ccc(F)cc1)NC[C@H]1COCCO1 ZINC000053122268 395876241 /nfs/dbraw/zinc/87/62/41/395876241.db2.gz JNTWWJCCSMYKDQ-ZDUSSCGKSA-N 0 0 310.325 0.477 50 0 DCAARN CC[C@H](C)[C@@H](CO)NC(=O)c1ccc(Cn2cnnn2)cc1 ZINC000230210290 395879503 /nfs/dbraw/zinc/87/95/03/395879503.db2.gz USEJRRNSSFZNCF-SMDDNHRTSA-N 0 0 303.366 0.858 50 0 DCAARN NC(=O)[C@H](c1ccccc1)N1CCC(N2CCNC2=O)CC1 ZINC000053283637 395879691 /nfs/dbraw/zinc/87/96/91/395879691.db2.gz WDPRLKIOVPJLHQ-AWEZNQCLSA-N 0 0 302.378 0.703 50 0 DCAARN CNC(=O)[C@H]1CN(CCn2ccccc2=O)c2ccccc2O1 ZINC000058231794 395951641 /nfs/dbraw/zinc/95/16/41/395951641.db2.gz NGLDPFCIOUBUQE-OAHLLOKOSA-N 0 0 313.357 0.862 50 0 DCAARN O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000143192163 395960527 /nfs/dbraw/zinc/96/05/27/395960527.db2.gz IGSIURJIDSJCEU-NSHDSACASA-N 0 0 311.359 0.509 50 0 DCAARN O=C(CN1CCCC1=O)N1CCN(Cc2ccncc2)CC1 ZINC000061508608 395968404 /nfs/dbraw/zinc/96/84/04/395968404.db2.gz QHLBLQZXZOORCQ-UHFFFAOYSA-N 0 0 302.378 0.348 50 0 DCAARN Cc1ncc2c(n1)CN([C@@H](C)C(=O)NC[C@H]1CCCO1)CC2 ZINC000247972315 395980227 /nfs/dbraw/zinc/98/02/27/395980227.db2.gz STPNDZCFACHWCD-SMDDNHRTSA-N 0 0 304.394 0.827 50 0 DCAARN CSc1nnc(-c2nn(C)c3c2CN(C(C)=O)CC3)n1C ZINC000064567111 395987819 /nfs/dbraw/zinc/98/78/19/395987819.db2.gz RKACRZHVAPWSGL-UHFFFAOYSA-N 0 0 306.395 0.842 50 0 DCAARN Cc1noc2nc(C)n(CC(=O)NCc3ccco3)c(=O)c12 ZINC000064960456 395989647 /nfs/dbraw/zinc/98/96/47/395989647.db2.gz UXZPLQTUQIJNSF-UHFFFAOYSA-N 0 0 302.290 0.911 50 0 DCAARN C[C@H](CNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC000065427616 395993176 /nfs/dbraw/zinc/99/31/76/395993176.db2.gz YPTMYIIXMXQETA-NEPJUHHUSA-N 0 0 303.428 0.299 50 0 DCAARN C[C@H](CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC000065427606 395993527 /nfs/dbraw/zinc/99/35/27/395993527.db2.gz YPTMYIIXMXQETA-VXGBXAGGSA-N 0 0 303.428 0.299 50 0 DCAARN O=C(NCCS(=O)(=O)CCc1ccccc1)[C@H]1CCCO1 ZINC000252509931 396022293 /nfs/dbraw/zinc/02/22/93/396022293.db2.gz YYSWMIJTYNJWQE-CQSZACIVSA-N 0 0 311.403 0.939 50 0 DCAARN CN1C[C@@H](C(=O)N[C@H]2CC[C@H](Oc3ncccn3)CC2)CC1=O ZINC000252523080 396022648 /nfs/dbraw/zinc/02/26/48/396022648.db2.gz BVLACZTZLMOKHR-AVGNSLFASA-N 0 0 318.377 0.761 50 0 DCAARN CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1N[C@H]1C[C@@H](C)OC1=O ZINC000252677619 396024131 /nfs/dbraw/zinc/02/41/31/396024131.db2.gz ZHRBFGVNZMEBSY-WYUUTHIRSA-N 0 0 304.412 0.340 50 0 DCAARN COC(=O)c1cn(CCNC(=O)c2cc(C)ccc2F)nn1 ZINC000253416411 396027648 /nfs/dbraw/zinc/02/76/48/396027648.db2.gz AYFHWXOWZQBHJW-UHFFFAOYSA-N 0 0 306.297 0.942 50 0 DCAARN CCc1ncnc(NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c1F ZINC000253416844 396027658 /nfs/dbraw/zinc/02/76/58/396027658.db2.gz BSXXINTZHYKKBG-XLKFXECMSA-N 0 0 307.329 0.968 50 0 DCAARN CN(C)C(=O)Cn1cc(C(=O)Nc2ccn3ccnc3c2)nn1 ZINC000253421747 396027760 /nfs/dbraw/zinc/02/77/60/396027760.db2.gz NPHVLCSESDHYSA-UHFFFAOYSA-N 0 0 313.321 0.266 50 0 DCAARN Cn1cc(N2CC[C@@H](N3C(=O)N4CCC[C@@]4(C)C3=O)C2=O)cn1 ZINC000253420254 396027852 /nfs/dbraw/zinc/02/78/52/396027852.db2.gz KBIWOSKQWJBDIH-ABAIWWIYSA-N 0 0 317.349 0.342 50 0 DCAARN Cn1ccc(C(=O)NC[C@@H]2CCCN2c2cccnn2)cc1=O ZINC000253426132 396028506 /nfs/dbraw/zinc/02/85/06/396028506.db2.gz BEPKVZQVASCJKA-ZDUSSCGKSA-N 0 0 313.361 0.574 50 0 DCAARN O=C(CN1CCCCCCC1=O)NC[C@H](CO)[C@H]1CCOC1 ZINC000253427825 396028705 /nfs/dbraw/zinc/02/87/05/396028705.db2.gz AXCIZAMGCPKJQO-UONOGXRCSA-N 0 0 312.410 0.540 50 0 DCAARN Cn1cc(S(=O)(=O)N2CC[C@@H](OCc3ccncc3)C2)cn1 ZINC000253428067 396028791 /nfs/dbraw/zinc/02/87/91/396028791.db2.gz ORJFJCVCHMXYQO-CYBMUJFWSA-N 0 0 322.390 0.795 50 0 DCAARN Cc1nc(CN2CCC[C@@H](CCNS(C)(=O)=O)C2)c[nH]1 ZINC000067755509 396032497 /nfs/dbraw/zinc/03/24/97/396032497.db2.gz QPIDPLUEPXTJJH-LBPRGKRZSA-N 0 0 300.428 0.869 50 0 DCAARN Cc1ccc(C(=O)N[C@@H]2CN(c3ccncn3)C[C@H]2CO)cn1 ZINC000257192779 396035190 /nfs/dbraw/zinc/03/51/90/396035190.db2.gz VWUKQBUDVRHAMT-UONOGXRCSA-N 0 0 313.361 0.407 50 0 DCAARN COC[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1C(N)=O ZINC000257192224 396035258 /nfs/dbraw/zinc/03/52/58/396035258.db2.gz QJZIRIVTSIHCHU-GXTWGEPZSA-N 0 0 315.373 0.917 50 0 DCAARN COc1ccc(CNC(=O)CNC(=O)C[C@H]2CCCO2)cc1 ZINC000068362071 396053563 /nfs/dbraw/zinc/05/35/63/396053563.db2.gz UDGNRUNGWNZSPO-CQSZACIVSA-N 0 0 306.362 0.997 50 0 DCAARN CCCS(=O)(=O)c1ccc(C(=O)NCCNC(C)=O)cc1 ZINC000158558357 396065059 /nfs/dbraw/zinc/06/50/59/396065059.db2.gz PBWTWYXTFUGPJM-UHFFFAOYSA-N 0 0 312.391 0.736 50 0 DCAARN CN1CCO[C@@H]2CN(C(=O)c3cc4ccccc4oc3=O)C[C@@H]21 ZINC000152719022 396015360 /nfs/dbraw/zinc/01/53/60/396015360.db2.gz PQKQBKSFIVORBN-DZGCQCFKSA-N 0 0 314.341 0.948 50 0 DCAARN Cn1nc(C(N)=O)c2c1CCN(C[C@H](O)c1ccccc1)C2 ZINC000252487709 396020764 /nfs/dbraw/zinc/02/07/64/396020764.db2.gz IAILTLIFDLRUPS-AWEZNQCLSA-N 0 0 300.362 0.611 50 0 DCAARN C[C@H](NS(C)(=O)=O)C(=O)NCCCn1ncc2ccccc21 ZINC000252485598 396020869 /nfs/dbraw/zinc/02/08/69/396020869.db2.gz GZXBPZLJKBMOSM-NSHDSACASA-N 0 0 324.406 0.480 50 0 DCAARN COCCN1CN(C(=O)NCc2ccnc(N(C)C)c2)CC1=O ZINC000252495725 396021601 /nfs/dbraw/zinc/02/16/01/396021601.db2.gz OXUSXJGJTHSTLC-UHFFFAOYSA-N 0 0 321.381 0.105 50 0 DCAARN CCOCCN1CCN(CC(=O)NCc2ccccn2)CC1 ZINC000069656092 396086372 /nfs/dbraw/zinc/08/63/72/396086372.db2.gz FJOCXXYGBOWECQ-UHFFFAOYSA-N 0 0 306.410 0.352 50 0 DCAARN C[C@H](Cn1ccnc1)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000069739199 396088616 /nfs/dbraw/zinc/08/86/16/396088616.db2.gz OHAIWPFEVTZRPN-ZJUUUORDSA-N 0 0 318.299 0.799 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000069739962 396088810 /nfs/dbraw/zinc/08/88/10/396088810.db2.gz YNMACMMSYKYZQU-MRXNPFEDSA-N 0 0 324.396 0.910 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000069739940 396088825 /nfs/dbraw/zinc/08/88/25/396088825.db2.gz MPWRHFVKSUETML-HNNXBMFYSA-N 0 0 324.396 0.910 50 0 DCAARN O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(CCO)CC1 ZINC000069778015 396090243 /nfs/dbraw/zinc/09/02/43/396090243.db2.gz UMPMCTISIMDQSE-MRXNPFEDSA-N 0 0 303.406 0.616 50 0 DCAARN CN1C[C@H](C(=O)N2CCCN(Cc3cscn3)CC2)CC1=O ZINC000069776789 396090325 /nfs/dbraw/zinc/09/03/25/396090325.db2.gz OYAQCUKACDVRNU-GFCCVEGCSA-N 0 0 322.434 0.656 50 0 DCAARN CC(C)(C)OC(=O)N(CCO)CCNC(=O)C(F)(F)F ZINC000168942714 396090334 /nfs/dbraw/zinc/09/03/34/396090334.db2.gz SRWSHCXQMITJLY-UHFFFAOYSA-N 0 0 300.277 0.894 50 0 DCAARN O=C(CN1CCN(CCO)CC1)NCc1ccc(Cl)s1 ZINC000069773498 396090539 /nfs/dbraw/zinc/09/05/39/396090539.db2.gz OMDBCEMLYLXXST-UHFFFAOYSA-N 0 0 317.842 0.628 50 0 DCAARN COCCN1CCN(CC(=O)NCc2ccc(C)s2)CC1 ZINC000069840365 396091863 /nfs/dbraw/zinc/09/18/63/396091863.db2.gz PMFWUCVQRDKICO-UHFFFAOYSA-N 0 0 311.451 0.937 50 0 DCAARN CSCC(=O)N1CC[C@@H](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000169781951 396091941 /nfs/dbraw/zinc/09/19/41/396091941.db2.gz LQYJVSWBPLSOHZ-GFCCVEGCSA-N 0 0 320.480 0.870 50 0 DCAARN COCCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000169787493 396092664 /nfs/dbraw/zinc/09/26/64/396092664.db2.gz KUOKHAVPJWPJPF-LSDHHAIUSA-N 0 0 320.389 0.972 50 0 DCAARN COC(=O)C[C@H](C)NC(=O)CNC(=O)OCc1ccccc1 ZINC000069873676 396092782 /nfs/dbraw/zinc/09/27/82/396092782.db2.gz BMWMEDWXGSZCQQ-NSHDSACASA-N 0 0 308.334 0.981 50 0 DCAARN COc1ccnc(N2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000069894188 396093533 /nfs/dbraw/zinc/09/35/33/396093533.db2.gz KBQNLMMTUORZMW-UHFFFAOYSA-N 0 0 312.337 0.250 50 0 DCAARN Cn1cc([C@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)cn1 ZINC000069877004 396093970 /nfs/dbraw/zinc/09/39/70/396093970.db2.gz BJZRYEAPUAHGDZ-CYBMUJFWSA-N 0 0 303.366 0.155 50 0 DCAARN COCCN1CC[C@H](N2CCN(C(=O)C3CCC3)CC2)C1=O ZINC000169792276 396094062 /nfs/dbraw/zinc/09/40/62/396094062.db2.gz UHHKADGPUASICT-AWEZNQCLSA-N 0 0 309.410 0.178 50 0 DCAARN CSc1nn(C)c2ncn(C[C@@H](O)C(F)(F)F)c(=O)c12 ZINC000170080239 396094352 /nfs/dbraw/zinc/09/43/52/396094352.db2.gz WFCJAMFKSOLZJG-RXMQYKEDSA-N 0 0 308.285 0.775 50 0 DCAARN CCCCN1CCOC[C@H]1C(=O)NCCNC(=O)c1ccco1 ZINC000170598471 396095370 /nfs/dbraw/zinc/09/53/70/396095370.db2.gz BFIHUCFKPCUABF-ZDUSSCGKSA-N 0 0 323.393 0.627 50 0 DCAARN C[C@H]1CN(Cc2ncnn2C)C[C@H](C)N1Cc1ncnn1C ZINC000170608610 396095477 /nfs/dbraw/zinc/09/54/77/396095477.db2.gz PKIGZNDOJPAPIR-RYUDHWBXSA-N 0 0 304.402 0.038 50 0 DCAARN CC[C@@H](C)C(=O)NCC(=O)OCCn1nc2ccccn2c1=O ZINC000170652965 396097016 /nfs/dbraw/zinc/09/70/16/396097016.db2.gz ZGIBNPIVTWRSPB-LLVKDONJSA-N 0 0 320.349 0.202 50 0 DCAARN CC(=O)N1CCN(C(=O)CN2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000069971404 396097561 /nfs/dbraw/zinc/09/75/61/396097561.db2.gz VSFIWJDRZYCGAX-OAHLLOKOSA-N 0 0 319.409 0.248 50 0 DCAARN COCCn1c(=O)[nH]c(=O)c2cc(C(=O)OC(C)C)c(C)nc21 ZINC000070666604 396102771 /nfs/dbraw/zinc/10/27/71/396102771.db2.gz BGYZOXGBKHMEJC-UHFFFAOYSA-N 0 0 321.333 0.605 50 0 biogenic DCAARN O=C(CNc1nc(Cl)nc2nc[nH]c21)Nc1nncs1 ZINC000071280655 396112014 /nfs/dbraw/zinc/11/20/14/396112014.db2.gz DJAVXMPEZSPJFK-UHFFFAOYSA-N 0 0 310.730 0.908 50 0 DCAARN O=C(c1cn[nH]n1)N1CCN(CCOc2ccccc2)CC1 ZINC000071819777 396115981 /nfs/dbraw/zinc/11/59/81/396115981.db2.gz CNPQHOWYYDINIM-UHFFFAOYSA-N 0 0 301.350 0.642 50 0 DCAARN Cc1nn(CCO)c(C)c1CNCc1nnc2n1CCCC2 ZINC000071825231 396116892 /nfs/dbraw/zinc/11/68/92/396116892.db2.gz SPMDSLHLRATBLM-UHFFFAOYSA-N 0 0 304.398 0.710 50 0 DCAARN C[C@H](C(N)=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000071830913 396117788 /nfs/dbraw/zinc/11/77/88/396117788.db2.gz KWPYLNSRFAORCO-LLVKDONJSA-N 0 0 314.407 0.665 50 0 DCAARN Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC(N3CCNC3=O)CC2)cn1 ZINC000071841427 396118548 /nfs/dbraw/zinc/11/85/48/396118548.db2.gz AHZJLNWCTMUQLJ-UONOGXRCSA-N 0 0 317.393 0.540 50 0 DCAARN Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H](C)N2CCOCC2)c1 ZINC000071869968 396119884 /nfs/dbraw/zinc/11/98/84/396119884.db2.gz OAUYRAHDQHKPNP-CABCVRRESA-N 0 0 306.410 0.903 50 0 DCAARN O=C(CN1CCCC[C@@H]1Cn1cncn1)NCc1ccccn1 ZINC000071876442 396121827 /nfs/dbraw/zinc/12/18/27/396121827.db2.gz WFBYWDMBSNXJJI-OAHLLOKOSA-N 0 0 314.393 0.844 50 0 DCAARN CC[C@@H](C)NC(=O)CN1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000071916182 396125161 /nfs/dbraw/zinc/12/51/61/396125161.db2.gz VNIRKLOUEDITIZ-CYBMUJFWSA-N 0 0 320.441 0.579 50 0 DCAARN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000072254954 396127758 /nfs/dbraw/zinc/12/77/58/396127758.db2.gz JOEVSTOFWPLYLG-OLZOCXBDSA-N 0 0 308.407 0.968 50 0 DCAARN COc1c([C@@H]2CCCN2CC(=O)N2CCOCC2)c(C)nn1C ZINC000072253667 396127872 /nfs/dbraw/zinc/12/78/72/396127872.db2.gz NYWZEFSNFYAPPQ-ZDUSSCGKSA-N 0 0 322.409 0.733 50 0 DCAARN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000072254953 396127945 /nfs/dbraw/zinc/12/79/45/396127945.db2.gz JOEVSTOFWPLYLG-CHWSQXEVSA-N 0 0 308.407 0.968 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)c2cc(C)nn2CC)CC1 ZINC000072269684 396128896 /nfs/dbraw/zinc/12/88/96/396128896.db2.gz SICHNBFKCKBIPM-CQSZACIVSA-N 0 0 324.425 0.367 50 0 DCAARN CCc1cc(=O)n2nc(NCC[S@](=O)CC)sc2n1 ZINC000072284365 396129765 /nfs/dbraw/zinc/12/97/65/396129765.db2.gz DOJYEOHERXQVDH-IBGZPJMESA-N 0 0 300.409 0.894 50 0 DCAARN Cc1cccc(CCC(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000072290721 396130171 /nfs/dbraw/zinc/13/01/71/396130171.db2.gz DEQGEIQJLPDRSN-MRXNPFEDSA-N 0 0 301.346 0.738 50 0 DCAARN C[C@](O)(CNC(=O)c1cccc2c1OCO2)CN1CCOCC1 ZINC000072306608 396130648 /nfs/dbraw/zinc/13/06/48/396130648.db2.gz ZWAZHOHZCGHJTD-INIZCTEOSA-N 0 0 322.361 0.228 50 0 DCAARN CC(=O)N1CCC[C@H]1C(=O)NCc1nncn1-c1ccccc1 ZINC000069367666 396075742 /nfs/dbraw/zinc/07/57/42/396075742.db2.gz KWGKNYDXMMIVRR-AWEZNQCLSA-N 0 0 313.361 0.894 50 0 DCAARN Cc1cc(C)n(C[C@H]2CN(CCN3CCCC3=O)CCO2)n1 ZINC000069393496 396077634 /nfs/dbraw/zinc/07/76/34/396077634.db2.gz FRJSFKYIGVIKST-OAHLLOKOSA-N 0 0 306.410 0.823 50 0 DCAARN Cc1ccc2c(Cn3nc(C(N)=O)ccc3=O)cc(=O)oc2c1 ZINC000069419750 396077962 /nfs/dbraw/zinc/07/79/62/396077962.db2.gz OPBGFIGMLNLKGY-UHFFFAOYSA-N 0 0 311.297 0.805 50 0 DCAARN CC[C@H](C)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000069420581 396078051 /nfs/dbraw/zinc/07/80/51/396078051.db2.gz WBNJPFHSLHRLAV-ZDUSSCGKSA-N 0 0 319.409 0.678 50 0 DCAARN Cn1ccnc1CN1CCN(CC(=O)NCC(F)(F)F)CC1 ZINC000069454161 396078858 /nfs/dbraw/zinc/07/88/58/396078858.db2.gz OLLSSFVCCZAKMH-UHFFFAOYSA-N 0 0 319.331 0.216 50 0 DCAARN Cc1nnc2n1CCN(C(=O)Cc1cnn(-c3ccccc3)n1)C2 ZINC000069453516 396078872 /nfs/dbraw/zinc/07/88/72/396078872.db2.gz JRSSURDPAUKCEM-UHFFFAOYSA-N 0 0 323.360 0.752 50 0 DCAARN CCN1CCN(C2CCN(CC(=O)N3CCCC3)CC2)C1=O ZINC000069493247 396080326 /nfs/dbraw/zinc/08/03/26/396080326.db2.gz JDZXKPNWUBUFCL-UHFFFAOYSA-N 0 0 308.426 0.831 50 0 DCAARN CCN1C[C@@H](C(=O)Nc2ccc(OC)cc2C(=O)NC)CC1=O ZINC000069599658 396084631 /nfs/dbraw/zinc/08/46/31/396084631.db2.gz OUFUQZDYFSDTPO-JTQLQIEISA-N 0 0 319.361 0.862 50 0 DCAARN C[C@H](O)CN1CCN(Cc2nc(-c3cccnc3)no2)CC1 ZINC000069629951 396085327 /nfs/dbraw/zinc/08/53/27/396085327.db2.gz YIGZQGAYXMXAHD-LBPRGKRZSA-N 0 0 303.366 0.630 50 0 DCAARN Cc1nsc(N2CCN(C(=O)CNCC(F)(F)F)CC2)n1 ZINC000074022739 396155255 /nfs/dbraw/zinc/15/52/55/396155255.db2.gz UYMAOVYLESGCHW-UHFFFAOYSA-N 0 0 323.344 0.647 50 0 DCAARN Cn1cncc1CCC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000279257998 396161706 /nfs/dbraw/zinc/16/17/06/396161706.db2.gz UQYXCGFYSKMMJH-ZDUSSCGKSA-N 0 0 314.393 0.928 50 0 DCAARN Cc1cc(C)n(C[C@H]2CCCN2C(=O)CN2C(=O)CNC2=O)n1 ZINC000075602061 396181649 /nfs/dbraw/zinc/18/16/49/396181649.db2.gz YRYMJVYPILFVLG-GFCCVEGCSA-N 0 0 319.365 0.043 50 0 DCAARN CCn1nc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1=O ZINC000076053289 396194626 /nfs/dbraw/zinc/19/46/26/396194626.db2.gz PSLBLSKJYFUXOK-GXTWGEPZSA-N 0 0 320.393 0.056 50 0 DCAARN COCCN(Cc1cccnc1)C(=O)N[C@H](C)C(=O)N(C)C ZINC000076074166 396195571 /nfs/dbraw/zinc/19/55/71/396195571.db2.gz VAACWRUODQFPEM-GFCCVEGCSA-N 0 0 308.382 0.716 50 0 DCAARN CCc1cc(CNC(=O)N2CCN(Cc3ccon3)CC2)[nH]n1 ZINC000076088533 396196096 /nfs/dbraw/zinc/19/60/96/396196096.db2.gz JFPSTYJDKQLZRH-UHFFFAOYSA-N 0 0 318.381 0.988 50 0 DCAARN Cn1cccc1C(=O)NC(=O)Cn1cc(Br)cn1 ZINC000077956136 396237094 /nfs/dbraw/zinc/23/70/94/396237094.db2.gz GPIWCLQWMGQNDL-UHFFFAOYSA-N 0 0 311.139 0.941 50 0 DCAARN CS(=O)(=O)N1CCC[C@H](C(=O)OCCn2cccn2)C1 ZINC000078442270 396245353 /nfs/dbraw/zinc/24/53/53/396245353.db2.gz YRMDMGXZQFXCIQ-NSHDSACASA-N 0 0 301.368 0.098 50 0 DCAARN COCCN(CC(N)=O)C(=O)Cc1coc2cc(OC)ccc12 ZINC000078718673 396252923 /nfs/dbraw/zinc/25/29/23/396252923.db2.gz YKIZPZODHLIFAU-UHFFFAOYSA-N 0 0 320.345 0.944 50 0 DCAARN O=C(Cc1noc(CCn2cncn2)n1)NC1CCCCC1 ZINC000078773434 396253973 /nfs/dbraw/zinc/25/39/73/396253973.db2.gz JPIKDSIDZQVTNO-UHFFFAOYSA-N 0 0 304.354 0.895 50 0 DCAARN CC(C)c1nnc([C@@H]2CN(C(=O)Cc3cnn(C)c3)CCO2)[nH]1 ZINC000078889265 396255916 /nfs/dbraw/zinc/25/59/16/396255916.db2.gz IYGMAJURYBHRLU-LBPRGKRZSA-N 0 0 318.381 0.804 50 0 DCAARN Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccn(CC(N)=O)n1)C2 ZINC000079696227 396269178 /nfs/dbraw/zinc/26/91/78/396269178.db2.gz UYMHVNMLNUGLPC-CYBMUJFWSA-N 0 0 314.345 0.927 50 0 DCAARN CC[C@H](OC)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000077355061 396219627 /nfs/dbraw/zinc/21/96/27/396219627.db2.gz WXZZHJQEFDHIRM-AWEZNQCLSA-N 0 0 322.409 0.538 50 0 DCAARN CCN(Cc1nc(C(=O)OC)co1)[C@H]1CCS(=O)(=O)C1 ZINC000077386258 396220240 /nfs/dbraw/zinc/22/02/40/396220240.db2.gz DXHFNTPBYLUALR-VIFPVBQESA-N 0 0 302.352 0.470 50 0 DCAARN O=C(CN1C(=O)CNC1=O)N1CCCC[C@@H]1CCn1ccnc1 ZINC000077487110 396224404 /nfs/dbraw/zinc/22/44/04/396224404.db2.gz JNYHSXLXUVORRQ-GFCCVEGCSA-N 0 0 319.365 0.206 50 0 DCAARN Cc1noc2ncnc(NC[C@@H]3CCC[C@]34NC(=O)NC4=O)c12 ZINC000192472926 396431415 /nfs/dbraw/zinc/43/14/15/396431415.db2.gz YEYZAJYHFFMLTA-RTHLEPHNSA-N 0 0 316.321 0.716 50 0 DCAARN CCC[C@H](NC(C)=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000584889183 396633002 /nfs/dbraw/zinc/63/30/02/396633002.db2.gz HNZMWFJWINLBLP-ZETCQYMHSA-N 0 0 307.276 0.745 50 0 DCAARN Cc1c[nH]c([C@@H](C)NS(=O)(=O)c2cc(C(N)=O)cs2)n1 ZINC000584890303 396633485 /nfs/dbraw/zinc/63/34/85/396633485.db2.gz ZDIHWFNPMFEZIN-SSDOTTSWSA-N 0 0 314.392 0.918 50 0 DCAARN COCCc1noc([C@@H](C)NC(=O)c2cn3cccnc3n2)n1 ZINC000584890671 396634055 /nfs/dbraw/zinc/63/40/55/396634055.db2.gz PUGNVLLEJBRQHS-SECBINFHSA-N 0 0 316.321 0.792 50 0 DCAARN COC(=O)c1cc(O)cc(C(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000584896087 396634952 /nfs/dbraw/zinc/63/49/52/396634952.db2.gz UBXNDEIYULJDFR-LLVKDONJSA-N 0 0 306.318 0.529 50 0 DCAARN Cc1n[nH]c(C)c1CC(=O)N1CC[C@]2(C1)CN(C)C(=O)CO2 ZINC000584897638 396635667 /nfs/dbraw/zinc/63/56/67/396635667.db2.gz VJMYULPWWKXSJZ-OAHLLOKOSA-N 0 0 306.366 0.029 50 0 DCAARN Nc1cc(=O)[nH]c(CCNC(=O)c2cc(C(F)(F)F)n[nH]2)n1 ZINC000584899872 396636283 /nfs/dbraw/zinc/63/62/83/396636283.db2.gz FIDUGYOWGIZTMA-UHFFFAOYSA-N 0 0 316.243 0.479 50 0 DCAARN CCc1cccc(S(=O)(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000585140449 396641356 /nfs/dbraw/zinc/64/13/56/396641356.db2.gz DYLUQOLWLFUGIU-UHFFFAOYSA-N 0 0 323.374 0.447 50 0 DCAARN CN(C)c1noc([C@@H]2CCCN2CC(=O)Nc2nncs2)n1 ZINC000374538474 396670873 /nfs/dbraw/zinc/67/08/73/396670873.db2.gz QVJZGMDUGADIAJ-QMMMGPOBSA-N 0 0 323.382 0.763 50 0 DCAARN COc1cccc(CC(=O)N2CC(N3C(=O)CNC3=O)C2)c1 ZINC000390825954 397302038 /nfs/dbraw/zinc/30/20/38/397302038.db2.gz TUMFQWMBMFIHDP-UHFFFAOYSA-N 0 0 303.318 0.000 50 0 DCAARN CS(=O)(=O)CCC(=O)N1CCCN(c2nccs2)CC1 ZINC000620313291 397259262 /nfs/dbraw/zinc/25/92/62/397259262.db2.gz VLZNLTGONZYHKF-UHFFFAOYSA-N 0 0 317.436 0.617 50 0 DCAARN C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@@H]1COc2ccccc2C1 ZINC000237129286 289133822 /nfs/dbraw/zinc/13/38/22/289133822.db2.gz WUCJZBMJSMZMLF-ZDUSSCGKSA-N 0 0 306.362 0.713 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)N1CCCC2(CCOCC2)C1 ZINC000371041764 397537269 /nfs/dbraw/zinc/53/72/69/397537269.db2.gz OQIPXTWXRXVHSV-NSHDSACASA-N 0 0 309.366 0.394 50 0 DCAARN CC[C@H](C)[C@@H](C(=O)NCc1nnc2ccccn21)n1cnnn1 ZINC000604418711 397639755 /nfs/dbraw/zinc/63/97/55/397639755.db2.gz OFZZOZDYKSOZFZ-GWCFXTLKSA-N 0 0 314.353 0.619 50 0 DCAARN CS(=O)(=O)N1CCC(C(=O)NC[C@]2(O)C=CCCC2)CC1 ZINC000606440432 397681010 /nfs/dbraw/zinc/68/10/10/397681010.db2.gz TWRNIQIIFVZNEU-AWEZNQCLSA-N 0 0 316.423 0.245 50 0 DCAARN CS(=O)(=O)CCN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000053140009 286596596 /nfs/dbraw/zinc/59/65/96/286596596.db2.gz WQHYTMVTRZKZEX-AWEZNQCLSA-N 0 0 308.359 0.425 50 0 DCAARN COCCN(C(=O)c1cncc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000128684274 158282438 /nfs/dbraw/zinc/28/24/38/158282438.db2.gz LQLYMJGHAUWLPG-LBPRGKRZSA-N 0 0 316.354 0.496 50 0 DCAARN CCn1cc(S(=O)(=O)N[C@H](CO)CC(F)(F)F)nc1C ZINC000330592699 159198705 /nfs/dbraw/zinc/19/87/05/159198705.db2.gz RSQGERLJMDTWQT-QMMMGPOBSA-N 0 0 315.317 0.803 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)c2ccc3c(c2)ncn3C)cn1 ZINC000126217667 286970327 /nfs/dbraw/zinc/97/03/27/286970327.db2.gz FVTNQHCONPOWDI-UHFFFAOYSA-N 0 0 312.333 0.768 50 0 DCAARN C[C@@H](Sc1nnc(C2CCCCC2)n1N)C(=O)NC(N)=O ZINC000002637204 287124910 /nfs/dbraw/zinc/12/49/10/287124910.db2.gz XOWCFBJETWOLBZ-SSDOTTSWSA-N 0 0 312.399 0.715 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000025205918 415156793 /nfs/dbraw/zinc/15/67/93/415156793.db2.gz TUJLZBIPDNDFJZ-UHFFFAOYSA-N 0 0 315.370 0.390 50 0 DCAARN Cc1oc(NC(=O)CN2CCO[C@H](C)C2)c2c1c(C)n[nH]c2=O ZINC000024082719 415157026 /nfs/dbraw/zinc/15/70/26/415157026.db2.gz DZPBNJCNVCSEGB-MRVPVSSYSA-N 0 0 320.349 0.792 50 0 DCAARN CCO[C@@H]1OCCn2c(=O)n(C)c(=O)c(Br)c21 ZINC000000385715 415125142 /nfs/dbraw/zinc/12/51/42/415125142.db2.gz HMXNVNFNCJGEMY-SECBINFHSA-N 0 0 305.128 0.375 50 0 DCAARN CCOC(=O)CNS(=O)(=O)c1cccc2nsnc21 ZINC000002170109 415126767 /nfs/dbraw/zinc/12/67/67/415126767.db2.gz VYLHEMDLSGJXGM-UHFFFAOYSA-N 0 0 301.349 0.533 50 0 DCAARN Cc1cc(C)cc(NC(=O)C[C@@H]([NH2+]CCOCCO)C(=O)[O-])c1 ZINC000004939653 415129242 /nfs/dbraw/zinc/12/92/42/415129242.db2.gz LGRPBDNARQNGFK-CQSZACIVSA-N 0 0 324.377 0.684 50 0 DCAARN O=C(COC(=O)[C@H]1CCCO1)NCc1ccc2c(c1)OCO2 ZINC000007034387 415135799 /nfs/dbraw/zinc/13/57/99/415135799.db2.gz SMCNAGMQVKRATQ-GFCCVEGCSA-N 0 0 307.302 0.754 50 0 DCAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)C2=NNC(=O)CC2)c1 ZINC000007140938 415137664 /nfs/dbraw/zinc/13/76/64/415137664.db2.gz NDBACAHTLJVWBD-UHFFFAOYSA-N 0 0 316.361 0.966 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000007304224 415138375 /nfs/dbraw/zinc/13/83/75/415138375.db2.gz DMOMOCROXQOSLE-LBPRGKRZSA-N 0 0 319.404 0.551 50 0 DCAARN COC[C@@H](C)NC(=O)CNc1cccc(S(C)(=O)=O)c1 ZINC000025699292 415163982 /nfs/dbraw/zinc/16/39/82/415163982.db2.gz CITALGGKGAZMOB-SNVBAGLBSA-N 0 0 300.380 0.653 50 0 DCAARN C[C@@H](C(N)=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000007493747 415142413 /nfs/dbraw/zinc/14/24/13/415142413.db2.gz MEKJSRIMNMMPIG-LBPRGKRZSA-N 0 0 320.393 0.267 50 0 DCAARN CC1Cn2c(nc3c2c(=O)n(Cc2ccccc2)c(=O)n3C)N=N1 ZINC000009060315 415144756 /nfs/dbraw/zinc/14/47/56/415144756.db2.gz YQDSXTVRGSEOQI-UHFFFAOYSA-N 0 0 324.344 0.746 50 0 DCAARN CCN(C1CC1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000025675743 415165692 /nfs/dbraw/zinc/16/56/92/415165692.db2.gz HJBFCJHTCKOLGW-UHFFFAOYSA-N 0 0 309.347 0.389 50 0 DCAARN CC(=O)N1CCCN(Cc2nnnn2Cc2ccccc2)CC1 ZINC000025820309 415165912 /nfs/dbraw/zinc/16/59/12/415165912.db2.gz BBQSGAJNCJDXSW-UHFFFAOYSA-N 0 0 314.393 0.776 50 0 DCAARN C[C@H](NC(=O)CCn1nnc2ccccc2c1=O)[C@H]1CCCO1 ZINC000027883104 415172075 /nfs/dbraw/zinc/17/20/75/415172075.db2.gz ITEOZVTZWFZFFI-SMDDNHRTSA-N 0 0 316.361 0.865 50 0 DCAARN CC(=O)N[C@@H](C)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000036309768 415191652 /nfs/dbraw/zinc/19/16/52/415191652.db2.gz BOEVKAIPBACNRS-ZDUSSCGKSA-N 0 0 311.426 0.662 50 0 DCAARN CN1CCN(C(=O)Cn2cccnc2=O)[C@H](c2ccccc2)C1 ZINC000032941312 415184475 /nfs/dbraw/zinc/18/44/75/415184475.db2.gz QUUPBVUBGKGNMI-HNNXBMFYSA-N 0 0 312.373 0.759 50 0 DCAARN CC(C)[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N1CCOCC1 ZINC000042028567 415207880 /nfs/dbraw/zinc/20/78/80/415207880.db2.gz IBSAJBPUBDATIQ-CYBMUJFWSA-N 0 0 313.442 0.622 50 0 DCAARN Cc1cnc(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cn1 ZINC000044911427 415232662 /nfs/dbraw/zinc/23/26/62/415232662.db2.gz OJHYNOCFQBHERX-HIFRSBDPSA-N 0 0 320.393 0.252 50 0 DCAARN Cc1cnc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000044910025 415232889 /nfs/dbraw/zinc/23/28/89/415232889.db2.gz LSAFSHHNXUBLRQ-SECBINFHSA-N 0 0 303.409 0.509 50 0 DCAARN COc1cccc(-n2nnc(C(=O)NCCNC(C)=O)c2C)c1 ZINC000044918130 415233754 /nfs/dbraw/zinc/23/37/54/415233754.db2.gz LSMHYLUQTPOEMT-UHFFFAOYSA-N 0 0 317.349 0.450 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CCCc2ccccc21 ZINC000044936588 415234242 /nfs/dbraw/zinc/23/42/42/415234242.db2.gz SUWVRVVVZJFHFS-HNNXBMFYSA-N 0 0 322.430 0.911 50 0 DCAARN Cc1noc(CCCC(=O)NC[C@@H]2CCS(=O)(=O)C2)n1 ZINC000044939667 415235806 /nfs/dbraw/zinc/23/58/06/415235806.db2.gz NKEHJXPTITZFOD-JTQLQIEISA-N 0 0 301.368 0.252 50 0 DCAARN Cc1cc(CN2CCN(C[C@H](O)Cn3cccn3)CC2)on1 ZINC000044974286 415237564 /nfs/dbraw/zinc/23/75/64/415237564.db2.gz VBFABLKFRPXDNG-AWEZNQCLSA-N 0 0 305.382 0.358 50 0 DCAARN O=C(NC[C@]1(N2CCOCC2)CCSC1)Nc1cn[nH]c1 ZINC000044971496 415240279 /nfs/dbraw/zinc/24/02/79/415240279.db2.gz HJFSRRVTAVFUOH-CYBMUJFWSA-N 0 0 311.411 0.739 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)NC[C@H]2COc3ccccc3C2)C1 ZINC000045128401 415244780 /nfs/dbraw/zinc/24/47/80/415244780.db2.gz ZNTBVRANKBHUPT-WCQYABFASA-N 0 0 303.362 0.755 50 0 DCAARN O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)Nc1ccccn1 ZINC000045536680 415245499 /nfs/dbraw/zinc/24/54/99/415245499.db2.gz BHWYUCRGXJFAEW-KBPBESRZSA-N 0 0 320.393 0.940 50 0 DCAARN O=C(NC1CCN(c2ncccn2)CC1)N1CCC(CO)CC1 ZINC000045710445 415249562 /nfs/dbraw/zinc/24/95/62/415249562.db2.gz DXJUJEBFGVLTBD-UHFFFAOYSA-N 0 0 319.409 0.859 50 0 DCAARN CN(Cc1ccsc1)C(=O)NC1CCN(CC(N)=O)CC1 ZINC000045607955 415251641 /nfs/dbraw/zinc/25/16/41/415251641.db2.gz BRCGPMHGTLIKCO-UHFFFAOYSA-N 0 0 310.423 0.839 50 0 DCAARN C[C@@H](NC(=O)NC(C(N)=O)C(N)=O)c1cc2ccccc2o1 ZINC000045615097 415252578 /nfs/dbraw/zinc/25/25/78/415252578.db2.gz SBHNELGIWRRBOL-SSDOTTSWSA-N 0 0 304.306 0.132 50 0 DCAARN CCn1cnnc1CNC(=O)N1CCN(c2nccs2)CC1 ZINC000046964700 415263961 /nfs/dbraw/zinc/26/39/61/415263961.db2.gz VBCDDMMVIIPGRR-UHFFFAOYSA-N 0 0 321.410 0.786 50 0 DCAARN C[C@@H](CNC(=O)Cn1ccccc1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000047494420 415270226 /nfs/dbraw/zinc/27/02/26/415270226.db2.gz BGYWMPQCKDNNIW-MELADBBJSA-N 0 0 307.394 0.462 50 0 DCAARN Cc1noc(C)c1CCC(=O)NCC1(C(N)=O)CCOCC1 ZINC000047931157 415277272 /nfs/dbraw/zinc/27/72/72/415277272.db2.gz QRMSEGVAGUVKNG-UHFFFAOYSA-N 0 0 309.366 0.622 50 0 DCAARN C[C@@H](NC(=O)NCCCNS(C)(=O)=O)c1ccncc1 ZINC000047903383 415280233 /nfs/dbraw/zinc/28/02/33/415280233.db2.gz OEGALLQVRZTHQY-SNVBAGLBSA-N 0 0 300.384 0.381 50 0 DCAARN CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1nnnn1C1CC1 ZINC000047853225 415280788 /nfs/dbraw/zinc/28/07/88/415280788.db2.gz OIARGBUAHYSPIC-AWEZNQCLSA-N 0 0 312.377 0.681 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 ZINC000044873608 415228862 /nfs/dbraw/zinc/22/88/62/415228862.db2.gz VIAKLQOWKQKRTI-LLVKDONJSA-N 0 0 306.347 0.184 50 0 DCAARN Cc1csc(N2CCN(c3cncc4nnnn43)CC2)n1 ZINC000048235350 415287032 /nfs/dbraw/zinc/28/70/32/415287032.db2.gz FMAVNLSELXJUCL-UHFFFAOYSA-N 0 0 302.367 0.611 50 0 DCAARN COc1cccc(-c2nnn(C[C@H](O)CN3CCOCC3)n2)c1 ZINC000048368700 415291748 /nfs/dbraw/zinc/29/17/48/415291748.db2.gz OBQUDZGJCUGZSU-CYBMUJFWSA-N 0 0 319.365 0.042 50 0 DCAARN CCN1C(=O)C(=O)N(CCOCCOc2ccccc2)C1=O ZINC000048354667 415291886 /nfs/dbraw/zinc/29/18/86/415291886.db2.gz QDTMZRZEWDRKQR-UHFFFAOYSA-N 0 0 306.318 0.893 50 0 DCAARN O=C(NCCCn1cncn1)NC[C@@H]1Cc2ccccc2O1 ZINC000048739515 415293842 /nfs/dbraw/zinc/29/38/42/415293842.db2.gz ACFDAROSFQPOPZ-ZDUSSCGKSA-N 0 0 301.350 0.971 50 0 DCAARN Cc1csc(=O)n1CCC(=O)N1CCC(CC(N)=O)CC1 ZINC000049393177 415309015 /nfs/dbraw/zinc/30/90/15/415309015.db2.gz RSBMPXMKEFMSLW-UHFFFAOYSA-N 0 0 311.407 0.722 50 0 DCAARN C[C@@H](C(N)=O)S(=O)(=O)Cc1csc(-c2cnn(C)c2)n1 ZINC000049458692 415309702 /nfs/dbraw/zinc/30/97/02/415309702.db2.gz TZUBEEFUEGSQRW-ZETCQYMHSA-N 0 0 314.392 0.332 50 0 DCAARN Cc1cccnc1C[C@@H](C)N(C)C(=O)Cn1[n-]c(=O)ccc1=O ZINC000067934380 415391119 /nfs/dbraw/zinc/39/11/19/415391119.db2.gz XJBRZVRPYLQLFW-GFCCVEGCSA-N 0 0 316.361 0.742 50 0 DCAARN CN1C(=O)CO[C@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1F ZINC000072241580 415407620 /nfs/dbraw/zinc/40/76/20/415407620.db2.gz MWJRLVYOBWWDME-GJZGRUSLSA-N 0 0 322.336 0.583 50 0 DCAARN COC(=O)c1nnn(C[C@@H](O)c2ccc(Cl)cc2)c1CO ZINC000071328526 415411529 /nfs/dbraw/zinc/41/15/29/415411529.db2.gz XZUKJJFCURDNFC-LLVKDONJSA-N 0 0 311.725 0.944 50 0 DCAARN Cc1nc(C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)c[nH]1 ZINC000072292566 415415795 /nfs/dbraw/zinc/41/57/95/415415795.db2.gz GSEYZGDPYKQXKH-UHFFFAOYSA-N 0 0 315.381 0.537 50 0 DCAARN COC(=O)c1cc(C)nc(N2Cc3cnn(CCO)c3C2)n1 ZINC000067641121 415380930 /nfs/dbraw/zinc/38/09/30/415380930.db2.gz YCYPSSHTFUDHQC-UHFFFAOYSA-N 0 0 303.322 0.281 50 0 DCAARN CCCn1cnnc1CN(C)C(=O)c1ccc2c(c1)no[n+]2[O-] ZINC000067934571 415389352 /nfs/dbraw/zinc/38/93/52/415389352.db2.gz RNMSMLWSJXZLNN-UHFFFAOYSA-N 0 0 316.321 0.735 50 0 DCAARN O=C(c1ccc(N2CCCC2)nc1)N1CCN(CCO)CC1 ZINC000084425439 415496282 /nfs/dbraw/zinc/49/62/82/415496282.db2.gz UWSJZHTYVHTTCQ-UHFFFAOYSA-N 0 0 304.394 0.432 50 0 DCAARN CN1CC[C@@H](NC(=O)c2cn(-c3ccccc3Cl)nn2)C1=O ZINC000075143186 415439015 /nfs/dbraw/zinc/43/90/15/415439015.db2.gz BEEVCPSMMSKUEL-SNVBAGLBSA-N 0 0 319.752 0.881 50 0 DCAARN O=C(NCc1ccncc1)c1nnn2c1c(=O)[nH]c1ccccc12 ZINC000075532217 415446069 /nfs/dbraw/zinc/44/60/69/415446069.db2.gz JQRJLGSTDFLISD-UHFFFAOYSA-N 0 0 320.312 0.896 50 0 DCAARN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000332770911 415470532 /nfs/dbraw/zinc/47/05/32/415470532.db2.gz ASMPDLJUFAUGAY-IJLUTSLNSA-N 0 0 320.397 0.115 50 0 DCAARN C[C@@H]1CN(CCCS(N)(=O)=O)CCN1c1nccs1 ZINC000095351870 415550085 /nfs/dbraw/zinc/55/00/85/415550085.db2.gz HOKRZWRDAKKYQG-SNVBAGLBSA-N 0 0 304.441 0.332 50 0 DCAARN COc1cccc2c1OC[C@H](CNC(=O)CN1CCOCC1)C2 ZINC000095361082 415552129 /nfs/dbraw/zinc/55/21/29/415552129.db2.gz JOSRSSYNZRUPMH-ZDUSSCGKSA-N 0 0 320.389 0.695 50 0 DCAARN CCc1cnc(N)nc1N1CCN(c2nccc(OC)n2)CC1 ZINC000095361260 415553488 /nfs/dbraw/zinc/55/34/88/415553488.db2.gz IUQPDFGWKGUUSW-UHFFFAOYSA-N 0 0 315.381 0.746 50 0 DCAARN CCCCSc1nc(N)cc(N2CCO[C@@H](C(N)=O)C2)n1 ZINC000095363629 415554532 /nfs/dbraw/zinc/55/45/32/415554532.db2.gz KZKSEAUSJOCQEQ-SECBINFHSA-N 0 0 311.411 0.642 50 0 DCAARN COc1ccnc(Cn2ncc(N3CCOCC3)cc2=O)c1 ZINC000095361110 415554742 /nfs/dbraw/zinc/55/47/42/415554742.db2.gz WVSIXAUWFBBKAE-UHFFFAOYSA-N 0 0 302.334 0.532 50 0 DCAARN COc1ccc([C@H](C(=O)[O-])[NH+]2CCC(C(N)=O)CC2)c(OC)n1 ZINC000095354458 415555462 /nfs/dbraw/zinc/55/54/62/415555462.db2.gz ZPXXYDRENXCGQG-GFCCVEGCSA-N 0 0 323.349 0.422 50 0 DCAARN COCc1nc(CNC(=O)[C@@H]2Cc3ccccc3CN2C)no1 ZINC000095387126 415557412 /nfs/dbraw/zinc/55/74/12/415557412.db2.gz AUAYSRBZBGIPNT-ZDUSSCGKSA-N 0 0 316.361 0.889 50 0 DCAARN O=C(NCCN1CCNC1=O)[C@@H](c1cccnc1)N1CCCC1 ZINC000095374846 415557809 /nfs/dbraw/zinc/55/78/09/415557809.db2.gz NTMGAJBJVLZMQY-CQSZACIVSA-N 0 0 317.393 0.360 50 0 DCAARN CN1Cc2ccccc2C[C@@H]1C(=O)NCCN1CCOC1=O ZINC000095388144 415558278 /nfs/dbraw/zinc/55/82/78/415558278.db2.gz ORBNSTSMJGJZLF-CQSZACIVSA-N 0 0 303.362 0.612 50 0 DCAARN COCC(=O)N1CCC(C(=O)N[C@@H](C)Cc2cnccn2)CC1 ZINC000095387732 415559562 /nfs/dbraw/zinc/55/95/62/415559562.db2.gz RTNDDHGCZMPNKF-LBPRGKRZSA-N 0 0 320.393 0.409 50 0 DCAARN O=C(NCCCO)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000095478047 415565682 /nfs/dbraw/zinc/56/56/82/415565682.db2.gz GVDPGXGIWBXMLL-SECBINFHSA-N 0 0 320.324 0.554 50 0 DCAARN CC(C)[C@@H](C(=O)N1CC(O)C1)n1nnc(-c2ccccc2)n1 ZINC000095967818 415568019 /nfs/dbraw/zinc/56/80/19/415568019.db2.gz XFBJGUVIMHYFDH-ZDUSSCGKSA-N 0 0 301.350 0.740 50 0 DCAARN COC(=O)Cn1cc(I)cc(C)c1=O ZINC000095975453 415568786 /nfs/dbraw/zinc/56/87/86/415568786.db2.gz RYCHUOHFKBQQKW-UHFFFAOYSA-N 0 0 307.087 0.934 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)[C@H]2CCCOC2)on1 ZINC000096001611 415569887 /nfs/dbraw/zinc/56/98/87/415569887.db2.gz CTZGAWNTDUOZNW-ZJUUUORDSA-N 0 0 302.352 0.904 50 0 DCAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@@H]1CCCO1 ZINC000103035169 415607582 /nfs/dbraw/zinc/60/75/82/415607582.db2.gz TXJCYEIIJFAOEZ-YNEHKIRRSA-N 0 0 308.378 0.847 50 0 DCAARN C[C@@H]1CN(C[C@@H](O)Cn2ncc3ccccc3c2=O)C[C@H](C)O1 ZINC000106830532 415648247 /nfs/dbraw/zinc/64/82/47/415648247.db2.gz MBNRMGZISLNHAU-VNHYZAJKSA-N 0 0 317.389 0.867 50 0 DCAARN Cc1cc(F)ccc1-n1ccc(C(=O)NC(C)(CO)CO)n1 ZINC000097098129 415581475 /nfs/dbraw/zinc/58/14/75/415581475.db2.gz HKPVZSZYZLSCGL-UHFFFAOYSA-N 0 0 307.325 0.793 50 0 DCAARN COC(=O)[C@H](Nc1ccn(CC(N)=O)n1)c1ccc(F)cc1 ZINC000097162134 415584372 /nfs/dbraw/zinc/58/43/72/415584372.db2.gz JFKAOPJXNDWDHP-CYBMUJFWSA-N 0 0 306.297 0.834 50 0 DCAARN CCOC(=O)[C@H](C)OC(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000097164849 415585663 /nfs/dbraw/zinc/58/56/63/415585663.db2.gz WDXCYYUVQWFZTM-LBPRGKRZSA-N 0 0 321.377 0.942 50 0 DCAARN COC[C@H](c1ccccn1)N(C)C(=O)CCc1nncn1C ZINC000097679995 415590710 /nfs/dbraw/zinc/59/07/10/415590710.db2.gz GEFHPCOMTRDHFU-CYBMUJFWSA-N 0 0 303.366 0.989 50 0 DCAARN Cc1nnc(COC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)o1 ZINC000102127566 415596493 /nfs/dbraw/zinc/59/64/93/415596493.db2.gz CEOODAPMNVURAL-PHIMTYICSA-N 0 0 321.333 0.987 50 0 DCAARN CCC1(CC)[C@H](NC(=O)c2nccnc2C(N)=O)C[C@@H]1OC ZINC000133404383 415946922 /nfs/dbraw/zinc/94/69/22/415946922.db2.gz YXXOKDZJUAENBB-ZJUUUORDSA-N 0 0 306.366 0.899 50 0 DCAARN Cc1cc(C)nc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000298285540 416000342 /nfs/dbraw/zinc/00/03/42/416000342.db2.gz NNBGGKFXNBURIQ-CYBMUJFWSA-N 0 0 310.423 0.403 50 0 DCAARN Cc1nn(CC(=O)N2CCN(Cc3nc[nH]n3)CC2)cc1Cl ZINC000299760039 416064196 /nfs/dbraw/zinc/06/41/96/416064196.db2.gz UGVRKFTZLRZHDB-UHFFFAOYSA-N 0 0 323.788 0.307 50 0 DCAARN O=C([O-])c1nc[nH]c1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000299763259 416065377 /nfs/dbraw/zinc/06/53/77/416065377.db2.gz ZIQULOAADZXROL-NSHDSACASA-N 0 0 322.365 0.481 50 0 DCAARN O=C(CCCn1cnnn1)NCCc1nc2cc(F)ccc2[nH]1 ZINC000299779810 416066744 /nfs/dbraw/zinc/06/67/44/416066744.db2.gz PPLRBNGBFDKETP-UHFFFAOYSA-N 0 0 317.328 0.828 50 0 DCAARN Cc1ocnc1C(=O)N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000299787007 416068781 /nfs/dbraw/zinc/06/87/81/416068781.db2.gz YQLDNMZWFNQGSI-UHFFFAOYSA-N 0 0 313.321 0.612 50 0 DCAARN Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)CNC(N)=O)n1 ZINC000299787503 416069281 /nfs/dbraw/zinc/06/92/81/416069281.db2.gz OKXPIAGMIZXXQG-ZETCQYMHSA-N 0 0 321.303 0.631 50 0 DCAARN CC(C)N1C[C@H](C(=O)N2CCc3nc[nH]c(=O)c3C2)CCC1=O ZINC000299789005 416069711 /nfs/dbraw/zinc/06/97/11/416069711.db2.gz ZLGRYVVDWQLYAH-LLVKDONJSA-N 0 0 318.377 0.714 50 0 DCAARN O=C(NCCCn1cc(Cl)cn1)[C@@H]1CCC(=O)NC(=O)N1 ZINC000299786419 416069962 /nfs/dbraw/zinc/06/99/62/416069962.db2.gz XGXBZUGMTCCYPU-VIFPVBQESA-N 0 0 313.745 0.031 50 0 DCAARN CCN1CCNC(=O)[C@@H]1CC(=O)N1CC(n2nc(C)cc2C)C1 ZINC000299795964 416071308 /nfs/dbraw/zinc/07/13/08/416071308.db2.gz MEFHAMQAOXFAPQ-AWEZNQCLSA-N 0 0 319.409 0.094 50 0 DCAARN CCc1nc(C)c(CNC(=O)[C@@H]2CCC(=O)NC(=O)N2)s1 ZINC000299795950 416071875 /nfs/dbraw/zinc/07/18/75/416071875.db2.gz NHEWXAKQADGRDO-QMMMGPOBSA-N 0 0 310.379 0.618 50 0 DCAARN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@H]1CSCN1)CC2 ZINC000161889539 416012346 /nfs/dbraw/zinc/01/23/46/416012346.db2.gz BVOAQLUUGHRSJE-QJPTWQEYSA-N 0 0 300.424 0.427 50 0 DCAARN C[C@H]1NC(=O)N(CCCS(=O)(=O)Cc2ccccc2)C1=O ZINC000170592497 416027460 /nfs/dbraw/zinc/02/74/60/416027460.db2.gz ADLGEIDJMMHCPG-LLVKDONJSA-N 0 0 310.375 0.932 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)[C@@H]2COc3ccccc3O2)cn1 ZINC000298922234 416039429 /nfs/dbraw/zinc/03/94/29/416039429.db2.gz GJCKFQTVAJYJEM-ZDUSSCGKSA-N 0 0 316.317 0.408 50 0 DCAARN c1nnc2n1CCN(c1nccc(N[C@H]3CCCOC3)n1)C2 ZINC000328635584 416125481 /nfs/dbraw/zinc/12/54/81/416125481.db2.gz NLOAJHHHSZJNEC-NSHDSACASA-N 0 0 301.354 0.679 50 0 DCAARN CN(C)C(=O)c1cncc(N2CCN(CC(F)(F)F)CC2)n1 ZINC000341726617 416227268 /nfs/dbraw/zinc/22/72/68/416227268.db2.gz ICANGOKQFMCDFH-UHFFFAOYSA-N 0 0 317.315 0.863 50 0 DCAARN COc1ncc(Cn2cc(S(=O)(=O)N(C)C)cn2)c(C)n1 ZINC000330686294 416230389 /nfs/dbraw/zinc/23/03/89/416230389.db2.gz AUTPSLGLALVMRH-UHFFFAOYSA-N 0 0 311.367 0.289 50 0 DCAARN CCCN(C(=O)c1cncc(OC)n1)[C@H]1CCS(=O)(=O)C1 ZINC000331092301 416263221 /nfs/dbraw/zinc/26/32/21/416263221.db2.gz XGQIXZTXMHQWGB-JTQLQIEISA-N 0 0 313.379 0.525 50 0 DCAARN CCc1cccc(CN2CCN(CCS(N)(=O)=O)CC2)c1 ZINC000189697068 416270043 /nfs/dbraw/zinc/27/00/43/416270043.db2.gz TVNUVDVZEGVDNS-UHFFFAOYSA-N 0 0 311.451 0.655 50 0 DCAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@H]1CCCO1)C2=O ZINC000248042888 416333233 /nfs/dbraw/zinc/33/32/33/416333233.db2.gz VNTAPGFSFTULSC-HSMVNMDESA-N 0 0 323.393 0.782 50 0 DCAARN COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000252514302 416334659 /nfs/dbraw/zinc/33/46/59/416334659.db2.gz BXRKHINAZISOHO-QJPTWQEYSA-N 0 0 322.427 0.207 50 0 DCAARN COC(=O)c1cn(CCN2CCCC2=O)cc2c(=O)[nH]nc1-2 ZINC000263587392 416338369 /nfs/dbraw/zinc/33/83/69/416338369.db2.gz GJDVQXVPKFBDNF-UHFFFAOYSA-N 0 0 304.306 0.085 50 0 DCAARN O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCc1ccco1 ZINC000263587082 416338370 /nfs/dbraw/zinc/33/83/70/416338370.db2.gz BXGIPQNVBSIGSW-LBPRGKRZSA-N 0 0 317.301 1.000 50 0 DCAARN Cc1nnc([C@@H]2CCCN2C(=O)Cc2c(C)nc(C)[nH]c2=O)[nH]1 ZINC000215440523 416327121 /nfs/dbraw/zinc/32/71/21/416327121.db2.gz MLBOMTHBJXJIFX-LBPRGKRZSA-N 0 0 316.365 0.719 50 0 DCAARN CCc1c(C)cc(C(=O)N(CCO)CC[NH+](C)C)c(=O)n1C ZINC000215258764 416327154 /nfs/dbraw/zinc/32/71/54/416327154.db2.gz VSDOHNMNJVTNBZ-UHFFFAOYSA-N 0 0 309.410 0.252 50 0 DCAARN COc1cc(CN2CCN(C(=O)c3nc[nH]n3)CC2)ccc1F ZINC000215499747 416327164 /nfs/dbraw/zinc/32/71/64/416327164.db2.gz HBCZASUVCKCOEX-UHFFFAOYSA-N 0 0 319.340 0.910 50 0 DCAARN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CCOc1ccccc1 ZINC000215617789 416327273 /nfs/dbraw/zinc/32/72/73/416327273.db2.gz NSSLIWRAJHQMLT-CHWSQXEVSA-N 0 0 313.375 0.384 50 0 DCAARN Cn1nccc1CCC(=O)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000216292226 416327550 /nfs/dbraw/zinc/32/75/50/416327550.db2.gz LOJGTRLAJIKYRW-GFCCVEGCSA-N 0 0 315.377 0.842 50 0 DCAARN O=C(NCc1ccccc1CN1CCCC1=O)[C@@H]1C[NH2+]CCO1 ZINC000238055012 416329841 /nfs/dbraw/zinc/32/98/41/416329841.db2.gz FCXYNCUNPJUIJK-HNNXBMFYSA-N 0 0 317.389 0.414 50 0 DCAARN C[C@H](C(=O)N1CCCN(C[C@H]2CCCO2)CC1)S(C)(=O)=O ZINC000241515565 416330121 /nfs/dbraw/zinc/33/01/21/416330121.db2.gz OGHHCHPEBOADQG-CHWSQXEVSA-N 0 0 318.439 0.133 50 0 DCAARN CC(=O)N1CC[C@@H](NC(=O)c2c(F)ccc(C)c2F)[C@H](O)C1 ZINC000243914731 416330327 /nfs/dbraw/zinc/33/03/27/416330327.db2.gz BKAMFHMNSYGEJX-VXGBXAGGSA-N 0 0 312.316 0.985 50 0 DCAARN Cn1cc([C@@H](NC(=O)CCN2CCCCO2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244659889 416330717 /nfs/dbraw/zinc/33/07/17/416330717.db2.gz HKQONBIQRBWVQD-BJJXKVORSA-N 0 0 322.409 0.766 50 0 DCAARN NC(=O)c1noc(CN2CCC(CCn3cccn3)CC2)n1 ZINC000244678498 416330900 /nfs/dbraw/zinc/33/09/00/416330900.db2.gz IEOYBWNFXOZQFV-UHFFFAOYSA-N 0 0 304.354 0.667 50 0 DCAARN CCNC(=O)[C@H](C)NS(=O)(=O)CCOCC1CCCC1 ZINC000416377908 416367424 /nfs/dbraw/zinc/36/74/24/416367424.db2.gz XYHKPMZIQRKHFU-NSHDSACASA-N 0 0 306.428 0.637 50 0 DCAARN NC(=O)CC1(CNC(=O)CNC(=O)c2ccc(F)cc2)CC1 ZINC000585130626 416519580 /nfs/dbraw/zinc/51/95/80/416519580.db2.gz WZNHWVFKJRWHFX-UHFFFAOYSA-N 0 0 307.325 0.327 50 0 DCAARN Nc1n[nH]c(C2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)n1 ZINC000426465109 416772082 /nfs/dbraw/zinc/77/20/82/416772082.db2.gz GBNKUNQLEHFMIG-UHFFFAOYSA-N 0 0 312.337 0.678 50 0 DCAARN Cc1csc(S(=O)(=O)NC[C@@H]2CN(C)CCN2C)c1 ZINC000451184571 417313365 /nfs/dbraw/zinc/31/33/65/417313365.db2.gz AFHYEVOVANRKRI-LLVKDONJSA-N 0 0 303.453 0.581 50 0 DCAARN COc1nc(CNC(=O)COc2cccc(C)c2)nc(OC)n1 ZINC000575604030 417538772 /nfs/dbraw/zinc/53/87/72/417538772.db2.gz ORHHSAHKAVAHCO-UHFFFAOYSA-N 0 0 318.333 0.892 50 0 DCAARN COc1nc(CNC(=O)C2CCCC2)nc(N2CCOCC2)n1 ZINC000575604173 417538811 /nfs/dbraw/zinc/53/88/11/417538811.db2.gz SZGVCGYEXLATMT-UHFFFAOYSA-N 0 0 321.381 0.523 50 0 DCAARN Cn1ccc(C(=O)N2CC(n3cc(COCC4CC4)nn3)C2)n1 ZINC000575552842 417539046 /nfs/dbraw/zinc/53/90/46/417539046.db2.gz IDWJBKVIYVXUMA-UHFFFAOYSA-N 0 0 316.365 0.635 50 0 DCAARN Cn1cc(C(=O)N2CCC[C@@H](Oc3ncc(Cl)cn3)C2)nn1 ZINC000575604700 417540260 /nfs/dbraw/zinc/54/02/60/417540260.db2.gz DDRSXGCMONWBNN-SNVBAGLBSA-N 0 0 322.756 0.942 50 0 DCAARN Cn1nnnc1[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000575313771 417526788 /nfs/dbraw/zinc/52/67/88/417526788.db2.gz CLHYSWKRFAVQIX-ZDUSSCGKSA-N 0 0 321.406 0.920 50 0 DCAARN COc1ccccc1C(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000652905208 417996041 /nfs/dbraw/zinc/99/60/41/417996041.db2.gz MEAZVQRTCZNXQY-UHFFFAOYSA-N 0 0 301.350 0.771 50 0 DCAARN Cc1nc(N2CCCCC2)ncc1C(=O)NC[C@H]1COCCO1 ZINC000299773944 229423935 /nfs/dbraw/zinc/42/39/35/229423935.db2.gz GSBZVGLAEWXLKN-ZDUSSCGKSA-N 0 0 320.393 0.921 50 0 DCAARN CC(=O)N(C)c1ccc(NC(=O)N[C@H]2CCCN(C)C2=O)cn1 ZINC000529125143 272674569 /nfs/dbraw/zinc/67/45/69/272674569.db2.gz YZCXSXYXBWXFQJ-LBPRGKRZSA-N 0 0 319.365 0.807 50 0 DCAARN CC(C)Cn1c(Br)nc2c1n(C)c(=O)n(C)c2=O ZINC000018470684 275604170 /nfs/dbraw/zinc/60/41/70/275604170.db2.gz DAZBLSJXIXIFFL-UHFFFAOYSA-N 0 0 315.171 0.852 50 0 DCAARN COC(=O)CNC(=O)[C@@H](C)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000044737147 277322824 /nfs/dbraw/zinc/32/28/24/277322824.db2.gz QBDAAHTXUQKVCH-RISCZKNCSA-N 0 0 324.352 0.877 50 0 DCAARN CC(C)[C@H](C(=O)N1CCN(C[C@@H](C)O)CC1)N1CCCC1=O ZINC000069739676 277862078 /nfs/dbraw/zinc/86/20/78/277862078.db2.gz WUORKBWFGHSGEO-UKRRQHHQSA-N 0 0 311.426 0.158 50 0 DCAARN CC(C)c1nn(C)cc1C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000071818686 278093133 /nfs/dbraw/zinc/09/31/33/278093133.db2.gz KDBCOGNFDUMVRK-UHFFFAOYSA-N 0 0 319.365 0.358 50 0 DCAARN CC(C)Cn1c(S[C@@H](C)C(N)=O)nnc1N1CCOCC1 ZINC000008249981 279254596 /nfs/dbraw/zinc/25/45/96/279254596.db2.gz DNCJHSSHGGHBRF-JTQLQIEISA-N 0 0 313.427 0.737 50 0 DCAARN Cn1ccc(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)n1 ZINC000029439229 279363854 /nfs/dbraw/zinc/36/38/54/279363854.db2.gz GFJNLRLPCDAYGT-LBPRGKRZSA-N 0 0 312.333 0.479 50 0 DCAARN NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1CCCCC1 ZINC000051134880 295133767 /nfs/dbraw/zinc/13/37/67/295133767.db2.gz LXJOUWXYGIFUSC-AWEZNQCLSA-N 0 0 323.418 0.629 50 0 DCAARN NS(=O)(=O)CCCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000076016654 295282094 /nfs/dbraw/zinc/28/20/94/295282094.db2.gz CCRRKDXFGPPJFB-IUCAKERBSA-N 0 0 318.345 0.863 50 0 DCAARN O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCCCC1 ZINC000046502682 295474393 /nfs/dbraw/zinc/47/43/93/295474393.db2.gz BGNULIHQPYCTET-HNNXBMFYSA-N 0 0 323.437 0.712 50 0 DCAARN Cn1cc(C(N)=O)c(NC(=O)c2ccc(Br)cn2)n1 ZINC000093298187 302910849 /nfs/dbraw/zinc/91/08/49/302910849.db2.gz PKYDSVWMUINZBB-UHFFFAOYSA-N 0 0 324.138 0.929 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000065973951 331883479 /nfs/dbraw/zinc/88/34/79/331883479.db2.gz HSIVTGJTWIUFPP-LBPRGKRZSA-N 0 0 317.455 0.954 50 0 DCAARN O=S(=O)(c1ccc(N2CCN(CCO)CC2)cc1)C(F)F ZINC000040444200 331902278 /nfs/dbraw/zinc/90/22/78/331902278.db2.gz KEINTMIAYSGERL-UHFFFAOYSA-N 0 0 320.361 0.797 50 0 DCAARN C[C@@H](Cc1ccncc1)NC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000332934176 334129425 /nfs/dbraw/zinc/12/94/25/334129425.db2.gz VILVMNYHZPUQNX-WCQYABFASA-N 0 0 303.366 0.432 50 0 DCAARN CC[C@H](C(=O)NCCn1ccnn1)N1Cc2ccccc2C1=O ZINC000534585537 334291921 /nfs/dbraw/zinc/29/19/21/334291921.db2.gz RMDIQQZQZRUWNZ-CQSZACIVSA-N 0 0 313.361 0.829 50 0 DCAARN O=C(CCN1CCCCCC1=O)NCC1(CO)CCOCC1 ZINC000534588280 334292928 /nfs/dbraw/zinc/29/29/28/334292928.db2.gz STAFOVOBBZDTRC-UHFFFAOYSA-N 0 0 312.410 0.684 50 0 DCAARN CC(C)[C@@H](NS(=O)(=O)N1CCN(C)CC1)c1cccnc1 ZINC000534591818 334294629 /nfs/dbraw/zinc/29/46/29/334294629.db2.gz KLDQGGXPPKVLRW-CQSZACIVSA-N 0 0 312.439 0.861 50 0 DCAARN O=C(NCCn1ccnn1)c1coc(CN2CCOCC2)c1 ZINC000534646580 334306416 /nfs/dbraw/zinc/30/64/16/334306416.db2.gz QWQMEBOXKCKCEW-UHFFFAOYSA-N 0 0 305.338 0.133 50 0 DCAARN C[C@@H](CO)CCNC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000534634813 334308730 /nfs/dbraw/zinc/30/87/30/334308730.db2.gz BJQXCZCXWGWTNB-MFKMUULPSA-N 0 0 309.366 0.106 50 0 DCAARN CN(C)C(=O)c1ccc(CNS(=O)(=O)N2CCCC2)o1 ZINC000534635538 334308911 /nfs/dbraw/zinc/30/89/11/334308911.db2.gz QFTADEHOXXWTLI-UHFFFAOYSA-N 0 0 301.368 0.412 50 0 DCAARN Cc1nnc(CN(C)C(=O)NCC[C@@H](C)N2CCOCC2)o1 ZINC000534650554 334311606 /nfs/dbraw/zinc/31/16/06/334311606.db2.gz VIQTXNMEOIOKNA-LLVKDONJSA-N 0 0 311.386 0.630 50 0 DCAARN CC[C@@H](C(=O)NCCn1cncn1)N1Cc2ccccc2C1=O ZINC000534660493 334313404 /nfs/dbraw/zinc/31/34/04/334313404.db2.gz AWMPZGLNNIOIPG-AWEZNQCLSA-N 0 0 313.361 0.829 50 0 DCAARN CCCn1ncnc1[C@@H](C)NC(=O)c1cc(=O)c(OC)c[nH]1 ZINC000534661144 334318097 /nfs/dbraw/zinc/31/80/97/334318097.db2.gz QPYTYBGJYWDHPT-SECBINFHSA-N 0 0 305.338 0.876 50 0 DCAARN Cc1ccc2[nH]c(CCNC(=O)N(C)C[C@H](O)CO)nc2c1 ZINC000534665568 334318952 /nfs/dbraw/zinc/31/89/52/334318952.db2.gz VRMLKIDCNILSMN-NSHDSACASA-N 0 0 306.366 0.408 50 0 DCAARN Cc1cc(NC(=O)CN2CCN(Cc3cocn3)CC2)no1 ZINC000191924188 340532164 /nfs/dbraw/zinc/53/21/64/340532164.db2.gz MVWLSZXCMPOKCQ-UHFFFAOYSA-N 0 0 305.338 0.727 50 0 DCAARN O=C1CCC(=O)N1c1cc(=O)[nH]c2nc(-c3cccnc3)nn21 ZINC000009329886 518202425 /nfs/dbraw/zinc/20/24/25/518202425.db2.gz OANVDFCWARUURJ-UHFFFAOYSA-N 0 0 310.273 0.133 50 0 DCAARN Cc1nonc1Cn1nnc2c(cnn2-c2ccccc2)c1=O ZINC000328594371 534496642 /nfs/dbraw/zinc/49/66/42/534496642.db2.gz GAYSJSWNNNUPEQ-UHFFFAOYSA-N 0 0 309.289 0.717 50 0 DCAARN CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C(=O)[O-] ZINC000262672566 528567606 /nfs/dbraw/zinc/56/76/06/528567606.db2.gz PYZALAYMMMWHQP-NEPJUHHUSA-N 0 0 313.398 0.012 50 0 DCAARN COC(=O)Cn1ncc(N2C[C@H](C)O[C@@H](C)C2)c(Cl)c1=O ZINC000003167711 536386813 /nfs/dbraw/zinc/38/68/13/536386813.db2.gz LVYYMEJFLYOROR-IUCAKERBSA-N 0 0 315.757 0.683 50 0 DCAARN Cc1sc(=O)n(CCC(=O)N[C@H]2CCC[C@H]2C(N)=O)c1C ZINC000084061888 545698928 /nfs/dbraw/zinc/69/89/28/545698928.db2.gz YPMMDOCLFRKTRN-MNOVXSKESA-N 0 0 311.407 0.687 50 0 DCAARN CCS(=O)(=O)CCN1CC[C@H](N(C)Cc2ncc(C)o2)C1 ZINC000084811056 545704971 /nfs/dbraw/zinc/70/49/71/545704971.db2.gz WSZRBEBMDZCEPK-ZDUSSCGKSA-N 0 0 315.439 0.924 50 0 DCAARN CN(C)c1cccc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)c1 ZINC000215955455 545939210 /nfs/dbraw/zinc/93/92/10/545939210.db2.gz ZAXYOIOFUYORLG-UHFFFAOYSA-N 0 0 314.393 0.829 50 0 DCAARN CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000223181389 545942708 /nfs/dbraw/zinc/94/27/08/545942708.db2.gz QGZBGNLTQFQSOJ-TZMCWYRMSA-N 0 0 320.345 0.941 50 0 DCAARN CS(=O)(=O)N[C@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccco2)C1 ZINC000668404050 546755493 /nfs/dbraw/zinc/75/54/93/546755493.db2.gz ITHMIMYULMAKKK-HBNTYKKESA-N 0 0 313.379 0.469 50 0 DCAARN CN(Cc1nncn1C)Cc1cnc(NC[C@@H]2CCCO2)nc1 ZINC000670441181 547090877 /nfs/dbraw/zinc/09/08/77/547090877.db2.gz FRWAOEMOUDTNTG-ZDUSSCGKSA-N 0 0 317.397 0.828 50 0 DCAARN CCc1nc(S(=O)(=O)NCCSc2n[nH]c(C)n2)c[nH]1 ZINC000670438936 547090882 /nfs/dbraw/zinc/09/08/82/547090882.db2.gz HQNNIKXNJNKFFC-UHFFFAOYSA-N 0 0 316.412 0.469 50 0 DCAARN Cc1nnc(SCC(=O)N2CCN3C(=O)OC[C@@H]3C2)s1 ZINC000670440529 547091083 /nfs/dbraw/zinc/09/10/83/547091083.db2.gz NBPALXVFBFDVKC-QMMMGPOBSA-N 0 0 314.392 0.602 50 0 DCAARN CN(C)C(=O)NCC(=O)NCCc1noc(C(F)(F)F)n1 ZINC000670444269 547093462 /nfs/dbraw/zinc/09/34/62/547093462.db2.gz CXYWVGPUDDLPCZ-UHFFFAOYSA-N 0 0 309.248 0.018 50 0 DCAARN CN1C[C@H](CNC(=O)CCCOCc2ccccc2)OCC1=O ZINC000670454843 547097630 /nfs/dbraw/zinc/09/76/30/547097630.db2.gz XSPUZLQFVFZMHY-HNNXBMFYSA-N 0 0 320.389 0.957 50 0 DCAARN CCn1nc(CO)c2c1CCN(c1ncc(F)c(OC)n1)C2 ZINC000670462228 547098800 /nfs/dbraw/zinc/09/88/00/547098800.db2.gz JWIUQNNYMAEFDP-UHFFFAOYSA-N 0 0 307.329 0.896 50 0 DCAARN Cc1cc(C)n(CCC(=O)N2CC[C@@]3(C2)CN(C)C(=O)CO3)n1 ZINC000670460364 547098843 /nfs/dbraw/zinc/09/88/43/547098843.db2.gz IOJDYTMNSNYFBC-INIZCTEOSA-N 0 0 320.393 0.350 50 0 DCAARN CSc1nc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)cs1 ZINC000670464059 547099058 /nfs/dbraw/zinc/09/90/58/547099058.db2.gz YTTGKURFTGSBTK-UHFFFAOYSA-N 0 0 324.435 0.941 50 0 DCAARN C[C@H](CS(C)(=O)=O)[NH2+]C1CCN(C(=O)N2CCCC2)CC1 ZINC000670463426 547098859 /nfs/dbraw/zinc/09/88/59/547098859.db2.gz HSEIREKOJYQUJM-GFCCVEGCSA-N 0 0 317.455 0.689 50 0 DCAARN CN1C(=O)N(C)C2(CCN(C(=O)Cc3ccncc3)CC2)C1=O ZINC000670468799 547100495 /nfs/dbraw/zinc/10/04/95/547100495.db2.gz MGKMHQADIVSGHS-UHFFFAOYSA-N 0 0 316.361 0.509 50 0 DCAARN Cc1cc(F)cc(C(=O)N2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)c1 ZINC000670474226 547103173 /nfs/dbraw/zinc/10/31/73/547103173.db2.gz WSKKGIQAEOAQLG-HOTGVXAUSA-N 0 0 321.396 0.567 50 0 DCAARN O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1cccc(CO)c1 ZINC000685941500 548746986 /nfs/dbraw/zinc/74/69/86/548746986.db2.gz DERDPHAAMDHRHK-UONOGXRCSA-N 0 0 303.318 0.478 50 0 DCAARN Cn1nccc1CCC(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 ZINC000685942797 548748260 /nfs/dbraw/zinc/74/82/60/548748260.db2.gz VVJFOGYNYDIRLE-QWHCGFSZSA-N 0 0 305.338 0.038 50 0 DCAARN Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2cccc(=O)n2C)cn1 ZINC000685942409 548748278 /nfs/dbraw/zinc/74/82/78/548748278.db2.gz PNYJKMDFEPKZLO-GXTWGEPZSA-N 0 0 316.361 0.849 50 0 DCAARN CC(C)C1(CNC(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 ZINC000328592783 563960490 /nfs/dbraw/zinc/96/04/90/563960490.db2.gz JCLYWNPNLRSMNA-UHFFFAOYSA-N 0 0 320.397 0.456 50 0 DCAARN Cc1oc(C(=O)N2CC[C@](C)(O)C2)cc1S(=O)(=O)N(C)C ZINC000175719765 657550854 /nfs/dbraw/zinc/55/08/54/657550854.db2.gz MZWUYHVNIPLCIO-ZDUSSCGKSA-N 0 0 316.379 0.435 50 0 DCAARN Cc1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)cn1 ZINC000257177260 659135804 /nfs/dbraw/zinc/13/58/04/659135804.db2.gz DPBIIVPDCNRYDH-CNDDSTCGSA-N 0 0 324.406 0.470 50 0 DCAARN Cc1nc(CN(C)C(=O)Cn2nnc(-c3ccccc3)n2)no1 ZINC000181814355 665673763 /nfs/dbraw/zinc/67/37/63/665673763.db2.gz DWAMBEDCWMNFOF-UHFFFAOYSA-N 0 0 313.321 0.690 50 0 DCAARN CCO[C@]1(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CCOC1 ZINC000585088626 661465191 /nfs/dbraw/zinc/46/51/91/661465191.db2.gz IESNJZPVTKARCR-WMLDXEAASA-N 0 0 324.421 0.947 50 0 DCAARN CC[C@H](C)C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)OC ZINC000585089657 661465219 /nfs/dbraw/zinc/46/52/19/661465219.db2.gz IPRICHVVGXTMTB-DCAQKATOSA-N 0 0 305.396 0.515 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(C(=O)/C=C/c2ccco2)CC1 ZINC000025737350 662318311 /nfs/dbraw/zinc/31/83/11/662318311.db2.gz RVQJFEGGPPSDKC-AATRIKPKSA-N 0 0 313.379 0.243 50 0 DCAARN CC(=O)NC[C@@H]1CN(Cc2cc3ccccc3[nH]c2=O)CCO1 ZINC000172187345 664617344 /nfs/dbraw/zinc/61/73/44/664617344.db2.gz ICOIUFORBWVVIQ-OAHLLOKOSA-N 0 0 315.373 0.865 50 0 DCAARN Cc1nn(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)n1C ZINC000585090232 666172602 /nfs/dbraw/zinc/17/26/02/666172602.db2.gz AMKNCKDYCYOWKP-UHFFFAOYSA-N 0 0 304.306 0.300 50 0 DCAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)N1CCCC1 ZINC000012747970 666400744 /nfs/dbraw/zinc/40/07/44/666400744.db2.gz DBJHJINRBPIKGY-HNNXBMFYSA-N 0 0 301.390 1.000 50 0 DCAARN COCCOc1cccc(C(=O)N2CC(N3CCOCC3)C2)c1 ZINC000863947737 667196464 /nfs/dbraw/zinc/19/64/64/667196464.db2.gz DCXZPOBFZJDNIU-UHFFFAOYSA-N 0 0 320.389 0.868 50 0 DCAARN CCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(OC)OC)CC1 ZINC000857706278 670940161 /nfs/dbraw/zinc/94/01/61/670940161.db2.gz HNMXDKUFZPGCPK-GFCCVEGCSA-N 0 0 315.414 0.054 50 0 DCAARN CN(C)C(=O)CCN(C)C(=O)/C=C/c1cnc(N(C)C)nc1 ZINC000952968096 685599300 /nfs/dbraw/zinc/59/93/00/685599300.db2.gz ASKOVXNXUIELFA-VOTSOKGWSA-N 0 0 305.382 0.493 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](CNC(=O)c2cnccn2)C1 ZINC000952974793 685600378 /nfs/dbraw/zinc/60/03/78/685600378.db2.gz NJKNRQMGNMRWAP-LLVKDONJSA-N 0 0 312.395 0.268 50 0 DCAARN CCC[C@@H](C)NS(=O)(=O)c1c(C2OCCO2)cnn1C ZINC000952992804 685603386 /nfs/dbraw/zinc/60/33/86/685603386.db2.gz CFCLTHVAQGIPTK-SECBINFHSA-N 0 0 303.384 0.932 50 0 DCAARN CC(C)(C)NC(=O)CN1CCN(C(=O)c2ccncc2F)CC1 ZINC000952991253 685602824 /nfs/dbraw/zinc/60/28/24/685602824.db2.gz VYVUIYUOCLNEAV-UHFFFAOYSA-N 0 0 322.384 0.893 50 0 DCAARN O=C(Cn1ncc(N2CCCC2)cc1=O)N[C@H]1CCSC1 ZINC000019772227 685051591 /nfs/dbraw/zinc/05/15/91/685051591.db2.gz OLCPKEKGPBSPNG-NSHDSACASA-N 0 0 308.407 0.465 50 0 DCAARN CN(C)C(=O)N1CCN(CC2=CCC[N@H+](CC(=O)[O-])C2)CC1 ZINC000065457595 685064678 /nfs/dbraw/zinc/06/46/78/685064678.db2.gz RPHWZSDSSCADHO-UHFFFAOYSA-N 0 0 310.398 0.002 50 0 DCAARN COC(=O)c1cc2n(n1)CCN(c1nc(OC)cc(OC)n1)C2 ZINC000065397861 685064833 /nfs/dbraw/zinc/06/48/33/685064833.db2.gz BTGMAJYQXSRXBZ-UHFFFAOYSA-N 0 0 319.321 0.497 50 0 DCAARN CCc1cccc(NC(=O)CN2CC[C@@](O)(c3cn[nH]n3)C2)c1 ZINC000284983386 685202232 /nfs/dbraw/zinc/20/22/32/685202232.db2.gz YVWKDMNLJBHFAA-INIZCTEOSA-N 0 0 315.377 0.899 50 0 DCAARN CS(=O)(=O)c1ccc(N2CCC([C@@H](O)CO)CC2)nc1 ZINC001772704402 1157843494 /nfs/dbraw/zinc/84/34/94/1157843494.db2.gz QYLOSDIYQWFTJU-LBPRGKRZSA-N 0 0 300.380 0.055 50 0 DCAARN Cc1nccn1CC(=O)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704278404 1179958347 /nfs/dbraw/zinc/95/83/47/1179958347.db2.gz XMWNGGIPMVRJCK-TZMCWYRMSA-N 0 0 301.350 0.044 50 0 DCAARN COc1nc(N2C[C@H](O)[C@H](Cc3cc(C)no3)C2)ncc1F ZINC001704298104 1179964535 /nfs/dbraw/zinc/96/45/35/1179964535.db2.gz DLTGRQQUNPKCCU-SKDRFNHKSA-N 0 0 308.313 0.961 50 0 DCAARN CO[C@@H]1CCC[C@]12CCCN(C(=O)CCCS(N)(=O)=O)C2 ZINC001704299934 1179965307 /nfs/dbraw/zinc/96/53/07/1179965307.db2.gz VLWGJJSEIKKBBM-TZMCWYRMSA-N 0 0 318.439 0.863 50 0 DCAARN Cc1nc(N2C[C@@H]3COC[C@H](C2)N(C)C3=O)nc2c1CCCC2 ZINC001704303279 1179965930 /nfs/dbraw/zinc/96/59/30/1179965930.db2.gz GFUFWSBRRHUNLM-OLZOCXBDSA-N 0 0 316.405 0.957 50 0 DCAARN COc1cc(CN2C[C@@H]3COC[C@H](C2)NC3=O)cc2c1OCO2 ZINC001704312341 1179968735 /nfs/dbraw/zinc/96/87/35/1179968735.db2.gz PXRKDDFHJLQQGI-NEPJUHHUSA-N 0 0 320.345 0.371 50 0 DCAARN CN(C)Cc1nc(C(=O)N(CCO)Cc2ncc[nH]2)cs1 ZINC001704312928 1179969156 /nfs/dbraw/zinc/96/91/56/1179969156.db2.gz FMYFGVFKWXLBAX-UHFFFAOYSA-N 0 0 309.395 0.563 50 0 DCAARN CCc1cnc(N)nc1NCCc1ccc(S(N)(=O)=O)cc1 ZINC001704312998 1179970084 /nfs/dbraw/zinc/97/00/84/1179970084.db2.gz DGBPVHCOZKCQCK-UHFFFAOYSA-N 0 0 321.406 0.923 50 0 DCAARN Cc1cc(C(=O)N2C[C@H]3COC[C@@H]2C[N@H+](CC(=O)[O-])C3)c(C)o1 ZINC001704315560 1179971498 /nfs/dbraw/zinc/97/14/98/1179971498.db2.gz KIEVCXLAPZODQS-STQMWFEESA-N 0 0 322.361 0.754 50 0 DCAARN Cc1cnn(CCC(=O)N2C[C@@H](Cc3cc(C)n[nH]3)[C@H](O)C2)c1 ZINC001704348473 1179981300 /nfs/dbraw/zinc/98/13/00/1179981300.db2.gz NSJFMHZXDMRJJE-UKRRQHHQSA-N 0 0 317.393 0.675 50 0 DCAARN CS(=O)(=O)CCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 ZINC001704351716 1179983487 /nfs/dbraw/zinc/98/34/87/1179983487.db2.gz JPZHIOJUTZDONO-CHWSQXEVSA-N 0 0 312.391 0.190 50 0 DCAARN COc1cc(C(=O)N2C[C@H](O)[C@H](Cc3cc(C)n[nH]3)C2)ccn1 ZINC001704359628 1179985608 /nfs/dbraw/zinc/98/56/08/1179985608.db2.gz WMPURCBJTPKCKB-OCCSQVGLSA-N 0 0 316.361 0.797 50 0 DCAARN Cn1cnnc1-c1nn(C)c2c1CN(C(=O)[C@@H]1CCCO1)CC2 ZINC000581790763 747972296 /nfs/dbraw/zinc/97/22/96/747972296.db2.gz IHBCQLNXXPQWOI-LBPRGKRZSA-N 0 0 316.365 0.279 50 0 DCAARN CC(=O)N[C@H](c1nc(CC(N)=O)nn1-c1cccnc1)C(C)C ZINC000820575476 758147725 /nfs/dbraw/zinc/14/77/25/758147725.db2.gz RUCJUMTZWHWTSA-AWEZNQCLSA-N 0 0 316.365 0.523 50 0 DCAARN CC(C)C[C@H](NC(=O)/C=C/c1cnc(N(C)C)nc1)C(N)=O ZINC000821396957 758171978 /nfs/dbraw/zinc/17/19/78/758171978.db2.gz NVUJYEFJGQVEQJ-FYJFLYSWSA-N 0 0 305.382 0.572 50 0 DCAARN CC[C@H](Cn1ccnc1)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000822640617 758204369 /nfs/dbraw/zinc/20/43/69/758204369.db2.gz TXQJUEIMPXKQPD-GFCCVEGCSA-N 0 0 322.390 0.739 50 0 DCAARN COC(=O)N[C@H](C)c1nc(CC(N)=O)nn1Cc1ccccc1 ZINC000824155928 758761073 /nfs/dbraw/zinc/76/10/73/758761073.db2.gz KBWYVSASDZHSKL-SNVBAGLBSA-N 0 0 317.349 0.771 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)c3nc4ncccn4n3)nc2c1 ZINC000824757802 758783766 /nfs/dbraw/zinc/78/37/66/758783766.db2.gz JDWXQWZZNHKOTL-UHFFFAOYSA-N 0 0 323.316 0.939 50 0 DCAARN CSCC[C@@H]1NC(=O)[C@H](COCc2ccccc2)NC1=O ZINC000824912900 758790652 /nfs/dbraw/zinc/79/06/52/758790652.db2.gz FVBPIHIIULJMAU-STQMWFEESA-N 0 0 308.403 0.940 50 0 DCAARN Cc1nnc(SCC(=O)NCCSc2nc[nH]n2)o1 ZINC000827847623 758892488 /nfs/dbraw/zinc/89/24/88/758892488.db2.gz BDDRUUUIQQIIRF-UHFFFAOYSA-N 0 0 300.369 0.497 50 0 DCAARN Cn1ncnc1CCNC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000827927118 758901548 /nfs/dbraw/zinc/90/15/48/758901548.db2.gz YJXOFQFWLQOZOJ-LLVKDONJSA-N 0 0 303.370 0.670 50 0 DCAARN NS(=O)(=O)CCCC(=O)NCc1ccc2nsnc2c1 ZINC000828027331 758916957 /nfs/dbraw/zinc/91/69/57/758916957.db2.gz YPQWMIGXHWTEKY-UHFFFAOYSA-N 0 0 314.392 0.376 50 0 DCAARN Cc1ncn(CCNC(=O)c2ccnc(-n3cnnc3)c2)c1C ZINC000828193789 758945019 /nfs/dbraw/zinc/94/50/19/758945019.db2.gz KEHZVQUSWWNHPY-UHFFFAOYSA-N 0 0 311.349 0.906 50 0 DCAARN Cc1csc(CNC(=O)c2cc3ncc(CCO)cn3n2)n1 ZINC000828773616 759093716 /nfs/dbraw/zinc/09/37/16/759093716.db2.gz JMGVZRXPGOVJKC-UHFFFAOYSA-N 0 0 317.374 0.959 50 0 DCAARN Cn1nccc1C(=O)N1CC[C@H](CC(=O)N2CCOCC2)C1 ZINC000581783132 760249674 /nfs/dbraw/zinc/24/96/74/760249674.db2.gz QKOXSYVBOPBDQQ-GFCCVEGCSA-N 0 0 306.366 0.131 50 0 DCAARN COCCN1C(=O)C(CC(=O)N2CCOCC2)=C2CCCC[C@H]21 ZINC000581792501 760252186 /nfs/dbraw/zinc/25/21/86/760252186.db2.gz IBMUQBCUWMTJPY-OAHLLOKOSA-N 0 0 322.405 0.963 50 0 DCAARN COCCC(=O)N1CCC([C@H]2[C@@H](OC)C(=O)N2C(C)C)CC1 ZINC000581812608 760253880 /nfs/dbraw/zinc/25/38/80/760253880.db2.gz CDQOUAKYTCRCOM-LSDHHAIUSA-N 0 0 312.410 0.896 50 0 DCAARN Cc1ncn(CC(=O)NCc2cc(C3CC3)ncn2)c(=O)c1C ZINC000585360842 768080805 /nfs/dbraw/zinc/08/08/05/768080805.db2.gz BXJMZGUMKKUTFC-UHFFFAOYSA-N 0 0 313.361 0.844 50 0 DCAARN CN(C)C[C@H](CO)NS(=O)(=O)c1cnc2ccsc2c1 ZINC000585114886 766284175 /nfs/dbraw/zinc/28/41/75/766284175.db2.gz DGUZKSHFDQGBNG-SECBINFHSA-N 0 0 315.420 0.497 50 0 DCAARN COc1ccnc(CN2CCN(C)[C@@H](c3nc(C)no3)C2)n1 ZINC000585117537 766286502 /nfs/dbraw/zinc/28/65/02/766286502.db2.gz KBHAJZZBKXKVAP-LLVKDONJSA-N 0 0 304.354 0.665 50 0 DCAARN Cc1noc([C@H]2C[N@@H+](C[C@@H]3CCCCN(C)C3=O)CCN2C)n1 ZINC000585117436 766286574 /nfs/dbraw/zinc/28/65/74/766286574.db2.gz CMIKZBJLEPBZOJ-UONOGXRCSA-N 0 0 321.425 0.925 50 0 DCAARN O=C(NCCCCO)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC000585122229 766287613 /nfs/dbraw/zinc/28/76/13/766287613.db2.gz RYAUCIJMMXPAKH-DGCLKSJQSA-N 0 0 321.295 0.686 50 0 DCAARN CC(=O)c1nc(NC(=O)CN(C)S(C)(=O)=O)sc1C ZINC000585124889 766288216 /nfs/dbraw/zinc/28/82/16/766288216.db2.gz YGGUXVAFMRFZRG-UHFFFAOYSA-N 0 0 305.381 0.484 50 0 DCAARN O=C(/C=C/C=C(Cl)Cl)NC[C@@H](O)CN1CCOCC1 ZINC000585131673 766292765 /nfs/dbraw/zinc/29/27/65/766292765.db2.gz CNPNRARIXDEXQU-UDIQPFLZSA-N 0 0 309.193 0.671 50 0 DCAARN O=C(/C=C/C=C(Cl)Cl)NC[C@H](O)CN1CCOCC1 ZINC000585131672 766292858 /nfs/dbraw/zinc/29/28/58/766292858.db2.gz CNPNRARIXDEXQU-GXTWCOJYSA-N 0 0 309.193 0.671 50 0 DCAARN COCC[C@@H](CNC1CS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000952847914 768911457 /nfs/dbraw/zinc/91/14/57/768911457.db2.gz RFUGWVUNYWIJAA-JTQLQIEISA-N 0 0 322.427 0.303 50 0 DCAARN Cc1ccc(C(=O)NCC2CCN(S(N)(=O)=O)CC2)s1 ZINC000952868579 768924017 /nfs/dbraw/zinc/92/40/17/768924017.db2.gz CLARMBHYASEJPL-UHFFFAOYSA-N 0 0 317.436 0.702 50 0 DCAARN O=c1nc(C(F)(F)F)ccn1Cc1nnc2n1CCOCC2 ZINC000952876463 768939544 /nfs/dbraw/zinc/93/95/44/768939544.db2.gz RNHJQYKFOZWWCB-UHFFFAOYSA-N 0 0 315.255 0.475 50 0 DCAARN Cc1cc(N)cc(CNS(=O)(=O)N=[S@](C)(=O)N(C)C)c1 ZINC000952879387 768943142 /nfs/dbraw/zinc/94/31/42/768943142.db2.gz PFDJTWAYFJLNIO-IBGZPJMESA-N 0 0 320.440 0.486 50 0 DCAARN CCN(CC)S(=O)(=O)NCc1ccc(S(C)(=O)=O)nc1 ZINC000952882800 768950040 /nfs/dbraw/zinc/95/00/40/768950040.db2.gz KSQGILOKGCECQG-UHFFFAOYSA-N 0 0 321.424 0.161 50 0 DCAARN C=CS(=O)(=O)CCC(=O)Nc1ccccc1-c1nnnn1C ZINC000952883183 768950958 /nfs/dbraw/zinc/95/09/58/768950958.db2.gz YNEGZKHBQCJNTG-UHFFFAOYSA-N 0 0 321.362 0.764 50 0 DCAARN Cn1nc2c(c1NC(=O)C[C@@H]1C(=O)N(C)C(=O)N1C)CSC2 ZINC001529095204 1014494976 /nfs/dbraw/zinc/49/49/76/1014494976.db2.gz NZWCEPDVNGPBPC-SECBINFHSA-N 0 0 323.378 0.388 50 0 DCAARN O=C(CCN1CCCC1=O)N1C[C@H](O)[C@H](Cc2ccncc2)C1 ZINC001529105916 1014497221 /nfs/dbraw/zinc/49/72/21/1014497221.db2.gz JZPAEYAGMXILQP-CABCVRRESA-N 0 0 317.389 0.456 50 0 DCAARN Cc1nnc(CN2CC[C@H](O)[C@](CO)(Cc3ccccc3)C2)[nH]1 ZINC001529118932 1014499359 /nfs/dbraw/zinc/49/93/59/1014499359.db2.gz QGOZQMVBXXRTNW-DOTOQJQBSA-N 0 0 316.405 0.901 50 0 DCAARN CC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccnn1C1CCCC1 ZINC001529162287 1014510560 /nfs/dbraw/zinc/51/05/60/1014510560.db2.gz YPRTWICELZRICQ-LBPRGKRZSA-N 0 0 321.381 0.707 50 0 DCAARN CN(C)C(=O)CCC(=O)N1C[C@@H](Cc2ccncc2)[C@H](O)C1 ZINC001529172934 1014513163 /nfs/dbraw/zinc/51/31/63/1014513163.db2.gz KXQDHGZJOSVQTL-ZIAGYGMSSA-N 0 0 305.378 0.312 50 0 DCAARN NC(=O)[C@@H]1CCC[N@H+](CCCNc2nccnc2C(=O)[O-])C1 ZINC001506400284 1017255422 /nfs/dbraw/zinc/25/54/22/1017255422.db2.gz BUJWNRADKGIAGP-SNVBAGLBSA-N 0 0 307.354 0.174 50 0 DCAARN COC[C@@H](c1ccccn1)N(C)C(=O)CCCS(N)(=O)=O ZINC001506431429 1017271068 /nfs/dbraw/zinc/27/10/68/1017271068.db2.gz JRTLZFGLPLOEAA-LBPRGKRZSA-N 0 0 315.395 0.296 50 0 DCAARN COC[C@@H](c1ccccn1)N(C)CCCS(=O)(=O)N(C)C ZINC001506399537 1017255935 /nfs/dbraw/zinc/25/59/35/1017255935.db2.gz AJCNUHWZWKNOOH-AWEZNQCLSA-N 0 0 315.439 0.982 50 0 DCAARN COC(=O)CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095480970 185373956 /nfs/dbraw/zinc/37/39/56/185373956.db2.gz ONFSTPFJTDDMNV-SECBINFHSA-N 0 0 316.317 0.205 50 0 DCAARN COCCn1cnnc1CNC(=O)[C@H]1COc2ccccc2C1 ZINC000095498086 185374271 /nfs/dbraw/zinc/37/42/71/185374271.db2.gz VPKBHSSHVVSGFM-CYBMUJFWSA-N 0 0 316.361 0.792 50 0 DCAARN CNC(=O)[C@H]1CCCCN1C(=O)c1cnc2n(c1=O)CCS2 ZINC000033212302 290607810 /nfs/dbraw/zinc/60/78/10/290607810.db2.gz OTBRHIQANIPREB-SNVBAGLBSA-N 0 0 322.390 0.090 50 0 DCAARN CCCn1cc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)nn1 ZINC000095506686 185375549 /nfs/dbraw/zinc/37/55/49/185375549.db2.gz YWLNDAFVWOJQJQ-SECBINFHSA-N 0 0 301.372 0.244 50 0 DCAARN CN(CCc1cnn(C)c1)C(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000095508191 185375781 /nfs/dbraw/zinc/37/57/81/185375781.db2.gz FHPDDFGIKDNDES-UHFFFAOYSA-N 0 0 313.361 0.764 50 0 DCAARN COc1cc(NC(=O)NCCCN2CCNC(=O)C2)ccc1F ZINC000095510464 185376105 /nfs/dbraw/zinc/37/61/05/185376105.db2.gz NSGRUQLYYJSJPR-UHFFFAOYSA-N 0 0 324.356 0.778 50 0 DCAARN NC(=O)Cc1nc(-c2ccc(=O)[nH]c2)n(CCc2ccccc2)n1 ZINC000095517183 185376859 /nfs/dbraw/zinc/37/68/59/185376859.db2.gz QIIDILUCKYWCEN-UHFFFAOYSA-N 0 0 323.356 0.904 50 0 DCAARN NC(=O)c1cc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)n[nH]1 ZINC000078900768 185125609 /nfs/dbraw/zinc/12/56/09/185125609.db2.gz CVZJZRYUAOSLGM-LLVKDONJSA-N 0 0 305.382 0.310 50 0 DCAARN NC(=O)NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000079099906 185158385 /nfs/dbraw/zinc/15/83/85/185158385.db2.gz XRYXCETWXMVZRT-UHFFFAOYSA-N 0 0 305.743 0.203 50 0 DCAARN CO[C@H](C)c1nsc(NCC2(C(N)=O)CCOCC2)n1 ZINC000669823328 547019623 /nfs/dbraw/zinc/01/96/23/547019623.db2.gz XIKJEWUPIQPCQE-MRVPVSSYSA-N 0 0 300.384 0.940 50 0 DCAARN O=C(CN1CCN(C(=O)c2ccccc2O)CC1)N1CCCC1 ZINC000096993766 185395350 /nfs/dbraw/zinc/39/53/50/185395350.db2.gz JKRIXPNRZWTAKF-UHFFFAOYSA-N 0 0 317.389 0.772 50 0 DCAARN COC(=O)c1ccc2ccn(CCCn3cnnn3)c(=O)c2c1 ZINC000095391619 185351854 /nfs/dbraw/zinc/35/18/54/185351854.db2.gz DHUYDTVXLUPFOE-UHFFFAOYSA-N 0 0 313.317 0.865 50 0 DCAARN Cn1ccc(NC(=O)CN2CCC3(CC2)OCCC[C@H]3O)n1 ZINC000095391999 185351898 /nfs/dbraw/zinc/35/18/98/185351898.db2.gz JJLRDGBZTRUGGX-GFCCVEGCSA-N 0 0 308.382 0.365 50 0 DCAARN O=C(NCCN1CCNC1=O)c1cnc(-c2cccnc2)nc1 ZINC000095391831 185351925 /nfs/dbraw/zinc/35/19/25/185351925.db2.gz JUVTUHNIRDSHHE-UHFFFAOYSA-N 0 0 312.333 0.294 50 0 DCAARN O=C(CN1CCCS1(=O)=O)N1CCc2ccc(F)cc2C1 ZINC000095429809 185362561 /nfs/dbraw/zinc/36/25/61/185362561.db2.gz UDYCPRNABWKFRA-UHFFFAOYSA-N 0 0 312.366 0.746 50 0 DCAARN CN(c1ncnc2nc[nH]c21)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000095431084 185363190 /nfs/dbraw/zinc/36/31/90/185363190.db2.gz GJPSIBUIOGRXSH-ZETCQYMHSA-N 0 0 314.271 0.952 50 0 DCAARN O=C(NC1CC1)[C@@H]1CCC[C@@H](NC(=O)[C@]2(O)CCSC2)C1 ZINC000095451762 185369102 /nfs/dbraw/zinc/36/91/02/185369102.db2.gz WWMCJXZXVLLCIW-HCKVZZMMSA-N 0 0 312.435 0.808 50 0 DCAARN O=C(N1CCCC1)N1CCN(c2noc(C3CC3)n2)C[C@@H](O)C1 ZINC000097172915 185418747 /nfs/dbraw/zinc/41/87/47/185418747.db2.gz WOKTVOVJCSNAOJ-GFCCVEGCSA-N 0 0 321.381 0.646 50 0 DCAARN CNC(=O)c1cc(O[C@H]2CCCN(C(=O)COC)C2)ccn1 ZINC000328591839 529932381 /nfs/dbraw/zinc/93/23/81/529932381.db2.gz SWYROESGKQRUNZ-LBPRGKRZSA-N 0 0 307.350 0.457 50 0 DCAARN CS(=O)(=O)CCCN1CCN(C(=O)c2ccco2)CC1 ZINC000103138585 185434350 /nfs/dbraw/zinc/43/43/50/185434350.db2.gz TWZYYQCRKNAKDO-UHFFFAOYSA-N 0 0 300.380 0.472 50 0 DCAARN CN(C)c1ncccc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000089322851 282325554 /nfs/dbraw/zinc/32/55/54/282325554.db2.gz IERJNQVRINLYMV-ZDUSSCGKSA-N 0 0 304.394 0.694 50 0 DCAARN CN(C)c1ncnc2c1CN(c1ncnc3c1cnn3C)CC2 ZINC000097201985 282331448 /nfs/dbraw/zinc/33/14/48/282331448.db2.gz PIUVDTKDAAWQFL-UHFFFAOYSA-N 0 0 310.365 0.782 50 0 DCAARN COc1cc(C(=O)N[C@H](C)C(=O)N2CCOCC2)ccc1C ZINC000058426523 190693216 /nfs/dbraw/zinc/69/32/16/190693216.db2.gz BCJOJMBJOMQDEN-GFCCVEGCSA-N 0 0 306.362 0.981 50 0 DCAARN Cn1ccnc1CN(CCO)C(=O)c1cccc2c1OCC2 ZINC000067514484 190710106 /nfs/dbraw/zinc/71/01/06/190710106.db2.gz SOVQSYRTHXZORT-UHFFFAOYSA-N 0 0 301.346 0.990 50 0 DCAARN COc1nccnc1N1CC[C@H](N(C)S(=O)(=O)C2CC2)C1 ZINC000065269054 545659809 /nfs/dbraw/zinc/65/98/09/545659809.db2.gz KEVIUCLYTRNYEA-JTQLQIEISA-N 0 0 312.395 0.488 50 0 DCAARN CCCNC(=O)NC(=O)CNc1cc(C(N)=O)cc(F)c1C ZINC000069817153 190823621 /nfs/dbraw/zinc/82/36/21/190823621.db2.gz WSEMXRVUJFRDKH-UHFFFAOYSA-N 0 0 310.329 0.881 50 0 DCAARN COc1cccc(NC(=O)C[C@@H](C[N@H+](C)CCO)C(=O)[O-])c1 ZINC000070666385 190909646 /nfs/dbraw/zinc/90/96/46/190909646.db2.gz GPDSAFDUGCWDPI-NSHDSACASA-N 0 0 310.350 0.649 50 0 biogenic DCAARN CCc1nnc([C@H]2CN(C(=O)c3ccc[nH]c3=O)CCO2)[nH]1 ZINC000083830020 192385621 /nfs/dbraw/zinc/38/56/21/192385621.db2.gz ULKHQZWAUOOOIT-SNVBAGLBSA-N 0 0 303.322 0.269 50 0 DCAARN CN(C)C(=O)c1cncc(N2CCO[C@H](C(F)(F)F)C2)n1 ZINC000071662658 190999973 /nfs/dbraw/zinc/99/99/73/190999973.db2.gz UVSOYEFGJKLXFJ-VIFPVBQESA-N 0 0 304.272 0.946 50 0 DCAARN O=C(C(O)C(F)(F)F)N1CCN(C2CCCCC2)C(=O)C1 ZINC000071755537 191024408 /nfs/dbraw/zinc/02/44/08/191024408.db2.gz JMMCQNOUYHCETK-LLVKDONJSA-N 0 0 308.300 0.913 50 0 DCAARN CNC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 ZINC000071754856 191025081 /nfs/dbraw/zinc/02/50/81/191025081.db2.gz XUEUSPSUZLNUPH-UHFFFAOYSA-N 0 0 311.407 0.123 50 0 DCAARN NC(=O)c1noc(CN2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000071760392 191025715 /nfs/dbraw/zinc/02/57/15/191025715.db2.gz PDTXQZXIEDSQIX-NSHDSACASA-N 0 0 306.297 0.881 50 0 DCAARN CC[C@H]1CN(C(=O)C(N)=O)CCC(=O)N1Cc1ccccc1 ZINC000071760747 191026590 /nfs/dbraw/zinc/02/65/90/191026590.db2.gz UNKYNOMINSTUHU-ZDUSSCGKSA-N 0 0 303.362 0.511 50 0 DCAARN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCCN(CC(N)=O)CC1 ZINC000071829394 191031499 /nfs/dbraw/zinc/03/14/99/191031499.db2.gz GWDLZEVNXGJMSC-LBPRGKRZSA-N 0 0 323.368 0.613 50 0 DCAARN NC(=O)CN1CCCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC000071829390 191031846 /nfs/dbraw/zinc/03/18/46/191031846.db2.gz BBWGLMZOIXZUCT-UHFFFAOYSA-N 0 0 312.373 0.868 50 0 DCAARN CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)C)cc1 ZINC000072125274 191041462 /nfs/dbraw/zinc/04/14/62/191041462.db2.gz PQYLEKPFSDGXER-OAHLLOKOSA-N 0 0 319.405 0.864 50 0 DCAARN O=C([O-])[C@]12CCC[NH2+][C@@H]1CCN(C(=O)C(=O)c1ccccc1)C2 ZINC000072144376 191051645 /nfs/dbraw/zinc/05/16/45/191051645.db2.gz DHVFLNYTBJMEHW-DYVFJYSZSA-N 0 0 316.357 0.925 50 0 DCAARN CN1C[C@@]2(CCCN(C(=O)c3cnc4cccnn43)C2)OC1=O ZINC000072161825 191062014 /nfs/dbraw/zinc/06/20/14/191062014.db2.gz URBRHIQRLGAZQE-OAHLLOKOSA-N 0 0 315.333 0.786 50 0 DCAARN CN(Cc1ccncn1)C(=O)c1cn(C[C@H]2CCCO2)nn1 ZINC000072163625 191063642 /nfs/dbraw/zinc/06/36/42/191063642.db2.gz HHFJYYSOKFCAOU-GFCCVEGCSA-N 0 0 302.338 0.519 50 0 DCAARN CCS(=O)(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 ZINC000072164718 191065285 /nfs/dbraw/zinc/06/52/85/191065285.db2.gz IQCVDMOEKJEJFV-UHFFFAOYSA-N 0 0 320.374 0.540 50 0 DCAARN CCNC(=O)CN1CCN(Cc2ccc(N(C)C)nc2)CC1 ZINC000072168732 191068082 /nfs/dbraw/zinc/06/80/82/191068082.db2.gz AABMTCGYNQKUPP-UHFFFAOYSA-N 0 0 305.426 0.401 50 0 DCAARN Cn1ncc2c1nc(C(C)(C)C)nc2N1CCN(C(N)=O)CC1 ZINC000072170387 191068088 /nfs/dbraw/zinc/06/80/88/191068088.db2.gz DOJQLOOQLQNNKN-UHFFFAOYSA-N 0 0 317.397 0.862 50 0 DCAARN COC(=O)c1ccccc1NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000072220554 191077499 /nfs/dbraw/zinc/07/74/99/191077499.db2.gz PMEUYBBLUKWLBA-SECBINFHSA-N 0 0 312.347 0.782 50 0 DCAARN COCCS(=O)(=O)N1CCC(NC(=O)c2ccco2)CC1 ZINC000072265425 191089867 /nfs/dbraw/zinc/08/98/67/191089867.db2.gz JZXDYNVQYKNYCR-UHFFFAOYSA-N 0 0 316.379 0.450 50 0 DCAARN Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](n3cncn3)C2)cn1 ZINC000072272134 191094501 /nfs/dbraw/zinc/09/45/01/191094501.db2.gz XOOVLCUJNVYJQS-MELADBBJSA-N 0 0 300.366 0.979 50 0 DCAARN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCOC[C@@]12CCOC2 ZINC000195482768 295808774 /nfs/dbraw/zinc/80/87/74/295808774.db2.gz ZGOOTPBVSIEELX-IUCAKERBSA-N 0 0 303.302 0.758 50 0 DCAARN NS(=O)(=O)c1ccc(CCNc2nccn3cnnc23)cc1 ZINC000072287231 191106763 /nfs/dbraw/zinc/10/67/63/191106763.db2.gz SDIRLAZIUKCSPA-UHFFFAOYSA-N 0 0 318.362 0.426 50 0 DCAARN COC(=O)c1cn(CCn2ccc(C)n2)cc2c(=O)[nH]nc1-2 ZINC000253414628 186310353 /nfs/dbraw/zinc/31/03/53/186310353.db2.gz YACXULKTRXYXKO-UHFFFAOYSA-N 0 0 301.306 0.668 50 0 DCAARN Cc1cc(N2CCC(NC(=O)c3cccn(C)c3=O)CC2)n[nH]1 ZINC000253408951 186308692 /nfs/dbraw/zinc/30/86/92/186308692.db2.gz ZCMQARFJNUVHJO-UHFFFAOYSA-N 0 0 315.377 0.816 50 0 DCAARN COC(=O)[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(C)C ZINC000072404696 191152415 /nfs/dbraw/zinc/15/24/15/191152415.db2.gz JVCPZKJZUNKQQG-LBPRGKRZSA-N 0 0 321.381 0.506 50 0 DCAARN O=C(Nc1cccc2c1CCC2)[C@@H]1CN(C(CO)CO)CCO1 ZINC000072430231 191162976 /nfs/dbraw/zinc/16/29/76/191162976.db2.gz LPBNQZQEIKCHGU-INIZCTEOSA-N 0 0 320.389 0.168 50 0 DCAARN CC(C)C(=O)Nc1nnc(S(=O)(=O)N2CCOCC2)s1 ZINC000072436923 191165919 /nfs/dbraw/zinc/16/59/19/191165919.db2.gz GBLWGICAPSUKGG-UHFFFAOYSA-N 0 0 320.396 0.154 50 0 DCAARN CC(C)CC(=O)NCCNc1cc(N2CCOCC2)ncn1 ZINC000072437805 191166763 /nfs/dbraw/zinc/16/67/63/191166763.db2.gz HNRRWWHFQLFHNL-UHFFFAOYSA-N 0 0 307.398 0.887 50 0 DCAARN COc1ccccc1/C=C/C[N@@H+]1C[C@H]2C(=O)NC[C@@]2(C(=O)[O-])C1 ZINC000072476297 191178480 /nfs/dbraw/zinc/17/84/80/191178480.db2.gz IKWLHGQNRDSLDF-HMBFSZGFSA-N 0 0 316.357 0.841 50 0 DCAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N)S2)cc1 ZINC000000299779 180751790 /nfs/dbraw/zinc/75/17/90/180751790.db2.gz CZPRXHFJLDCLGJ-JTQLQIEISA-N 0 0 306.347 0.930 50 0 DCAARN COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccnc(N2CCCC2)n1 ZINC000331795213 234132477 /nfs/dbraw/zinc/13/24/77/234132477.db2.gz IQHPMVKDHNAWDV-QWHCGFSZSA-N 0 0 320.393 0.953 50 0 DCAARN COC(=O)C[C@H](C)NC(=O)Cn1ncc(=O)c2ccccc21 ZINC000072966279 191259266 /nfs/dbraw/zinc/25/92/66/191259266.db2.gz JSMJGUPRSHDAMW-JTQLQIEISA-N 0 0 303.318 0.464 50 0 DCAARN Cn1c2[nH]c(NCc3ccc(F)cc3)nc2c(=O)n(C)c1=O ZINC000001409281 180863019 /nfs/dbraw/zinc/86/30/19/180863019.db2.gz CSMNTDFTLDGXIC-UHFFFAOYSA-N 0 0 303.297 0.712 50 0 DCAARN COc1ccc(CNc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cc1 ZINC000001409277 180863094 /nfs/dbraw/zinc/86/30/94/180863094.db2.gz RQRDJYDDBYNJPT-UHFFFAOYSA-N 0 0 315.333 0.581 50 0 DCAARN C[C@H](C(=O)NC(N)=O)N1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000002645854 180943456 /nfs/dbraw/zinc/94/34/56/180943456.db2.gz RHUOAINZKRSBII-XLKFXECMSA-N 0 0 304.306 0.037 50 0 DCAARN CCn1ccc(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000002806951 180959929 /nfs/dbraw/zinc/95/99/29/180959929.db2.gz ZRERVDSDFNCKEL-NSHDSACASA-N 0 0 314.411 0.191 50 0 DCAARN COc1cc(C(=O)OCC(=O)NC(N)=O)cc(OC)c1OC ZINC000003400230 181015205 /nfs/dbraw/zinc/01/52/05/181015205.db2.gz HHHHOYTTYYFSAA-UHFFFAOYSA-N 0 0 312.278 0.064 50 0 DCAARN CCCNC(=O)NC(=O)COC(=O)c1ccc2c(c1)OCO2 ZINC000003436959 181019695 /nfs/dbraw/zinc/01/96/95/181019695.db2.gz UHYPWOXDKAZFSR-UHFFFAOYSA-N 0 0 308.290 0.808 50 0 DCAARN C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000003905854 181055650 /nfs/dbraw/zinc/05/56/50/181055650.db2.gz ZITRQXTWNABIBL-KOLCDFICSA-N 0 0 301.339 0.896 50 0 DCAARN CON(C)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 ZINC000004037177 181066134 /nfs/dbraw/zinc/06/61/34/181066134.db2.gz DYKMQEJMHDKNTR-GFCCVEGCSA-N 0 0 311.363 0.789 50 0 DCAARN O=C1CN(Cc2ccc3c(c2)OCO3)C(=O)[C@@H]2CSCN12 ZINC000004084907 181071137 /nfs/dbraw/zinc/07/11/37/181071137.db2.gz NIDOXRGELXEOLA-JTQLQIEISA-N 0 0 306.343 0.659 50 0 biogenic DCAARN CCOCCCn1c(C)cn2c1nc1c2c(=O)[nH]c(=O)n1C ZINC000004251107 181088533 /nfs/dbraw/zinc/08/85/33/181088533.db2.gz XYRAZVSGAUZGIR-UHFFFAOYSA-N 0 0 305.338 0.411 50 0 DCAARN Cc1ccc(-n2ncc3c2ncnc3N(CCO)CCO)cc1 ZINC000004355021 181101908 /nfs/dbraw/zinc/10/19/08/181101908.db2.gz XJEKKNAYXLAYHG-UHFFFAOYSA-N 0 0 313.361 0.915 50 0 DCAARN COc1cccc(N2C[C@@H](NC(=O)N3CCOCC3)CC2=O)c1 ZINC000004373269 181103240 /nfs/dbraw/zinc/10/32/40/181103240.db2.gz SGZYDRNWMNJISX-LBPRGKRZSA-N 0 0 319.361 0.842 50 0 DCAARN O=c1[nH]cc(S(=O)(=O)Nc2ccc(Cl)cc2)c(=O)[nH]1 ZINC000004480007 181112910 /nfs/dbraw/zinc/11/29/10/181112910.db2.gz SNPMLYPHRWCERK-UHFFFAOYSA-N 0 0 301.711 0.517 50 0 DCAARN Cc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000004505411 181117069 /nfs/dbraw/zinc/11/70/69/181117069.db2.gz APKORENVXQPULS-LLVKDONJSA-N 0 0 303.405 0.769 50 0 DCAARN Cc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1C ZINC000004505412 181117153 /nfs/dbraw/zinc/11/71/53/181117153.db2.gz APKORENVXQPULS-NSHDSACASA-N 0 0 303.405 0.769 50 0 DCAARN CC1(C)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O ZINC000004516799 181118711 /nfs/dbraw/zinc/11/87/11/181118711.db2.gz IOCZWCUYLRVYLV-UHFFFAOYSA-N 0 0 301.346 0.902 50 0 DCAARN COc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1OC ZINC000004840241 181160591 /nfs/dbraw/zinc/16/05/91/181160591.db2.gz NKZRHXFUNLNUKC-LLVKDONJSA-N 0 0 308.334 0.938 50 0 DCAARN O=C(COC(=O)c1ccc2c(c1)OCCO2)N1CCNC1=O ZINC000004925515 181173914 /nfs/dbraw/zinc/17/39/14/181173914.db2.gz KFMFKXARVOFTKW-UHFFFAOYSA-N 0 0 306.274 0.166 50 0 DCAARN O=C(Nc1nccs1)c1c[nH]c(=O)n(Cc2ccco2)c1=O ZINC000075172501 191439360 /nfs/dbraw/zinc/43/93/60/191439360.db2.gz OBFAEUVVMAPMKN-UHFFFAOYSA-N 0 0 318.314 0.887 50 0 DCAARN NS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000076082807 191573930 /nfs/dbraw/zinc/57/39/30/191573930.db2.gz VNRVETVBUQRRCA-RKDXNWHRSA-N 0 0 304.318 0.473 50 0 DCAARN CN(CCOC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C ZINC000078715068 191917041 /nfs/dbraw/zinc/91/70/41/191917041.db2.gz MSPSGQHAPQRXMJ-SNVBAGLBSA-N 0 0 321.395 0.831 50 0 DCAARN CCS(=O)(=O)NCCn1nnc(-c2ccc(F)c(C)c2)n1 ZINC000078725216 191919418 /nfs/dbraw/zinc/91/94/18/191919418.db2.gz KTNOVLDAOUNKKH-UHFFFAOYSA-N 0 0 313.358 0.727 50 0 DCAARN CCc1nc2ccccc2n1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000005265907 181223885 /nfs/dbraw/zinc/22/38/85/181223885.db2.gz NFEBRIMDMWDCDI-LLVKDONJSA-N 0 0 321.402 0.902 50 0 DCAARN CC1(C)O[C@@H]2O[C@H]([C@@H](O)COC(=O)c3ccccc3)[C@H](O)[C@@H]2O1 ZINC000005500098 181250685 /nfs/dbraw/zinc/25/06/85/181250685.db2.gz YZTNJMSUDMOQJM-AIUMHDJVSA-N 0 0 324.329 0.442 50 0 DCAARN CN(C)C(=O)[C@@H](Sc1nc(N)nc(N)n1)c1ccccc1 ZINC000005505994 181251263 /nfs/dbraw/zinc/25/12/63/181251263.db2.gz XLMOBZJBSHHBFC-VIFPVBQESA-N 0 0 304.379 0.958 50 0 DCAARN COC(=O)c1ccccc1NC(=O)c1cc(=O)n(C)c(=O)[nH]1 ZINC000005626174 181265184 /nfs/dbraw/zinc/26/51/84/181265184.db2.gz YUFYDMMRUMOMCH-UHFFFAOYSA-N 0 0 303.274 0.525 50 0 DCAARN O=C(/C=C/c1ccc2c(c1)OCO2)OCC(=O)N1CCOCC1 ZINC000005732453 181278671 /nfs/dbraw/zinc/27/86/71/181278671.db2.gz CXJCCPNVIZWCDT-DUXPYHPUSA-N 0 0 319.313 0.831 50 0 DCAARN COc1ccccc1S(=O)(=O)N1CCN(C[C@H](C)O)CC1 ZINC000085467216 192510287 /nfs/dbraw/zinc/51/02/87/192510287.db2.gz UXLOYWMXGFMSKY-LBPRGKRZSA-N 0 0 314.407 0.382 50 0 DCAARN COc1ccc(NC(=O)c2cnccn2)cc1S(N)(=O)=O ZINC000005935862 181298113 /nfs/dbraw/zinc/29/81/13/181298113.db2.gz FXTWJZDISICSGB-UHFFFAOYSA-N 0 0 308.319 0.385 50 0 DCAARN COCC(=O)N(C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000158347904 237067081 /nfs/dbraw/zinc/06/70/81/237067081.db2.gz SDKWPBPASLWZOT-UHFFFAOYSA-N 0 0 300.384 0.780 50 0 DCAARN O=S(=O)(N1CCOCC1)N1CCC[C@@H](c2cn[nH]c2)C1 ZINC000089764505 192862597 /nfs/dbraw/zinc/86/25/97/192862597.db2.gz FEQROKBVVQCOID-LLVKDONJSA-N 0 0 300.384 0.166 50 0 DCAARN CCn1cnnc1CCNC(=O)[C@@H]1Cc2ccccc2C(=O)N1 ZINC000426658214 240353826 /nfs/dbraw/zinc/35/38/26/240353826.db2.gz KTKHCGHFVDVHAJ-ZDUSSCGKSA-N 0 0 313.361 0.311 50 0 DCAARN CC[C@@H](CO)NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000187351984 200100204 /nfs/dbraw/zinc/10/02/04/200100204.db2.gz ILGYSNSKARWARD-JSGCOSHPSA-N 0 0 322.409 0.877 50 0 DCAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nc[nH]n2)cc1 ZINC000005968730 181301897 /nfs/dbraw/zinc/30/18/97/181301897.db2.gz MYUXFOASOBVUMW-UHFFFAOYSA-N 0 0 309.351 0.372 50 0 DCAARN CCOC(=O)/C=C/C(=O)OCC(=O)NCc1ccc(OC)cc1 ZINC000006011819 181306082 /nfs/dbraw/zinc/30/60/82/181306082.db2.gz MBXUUBMVCLJVPE-CMDGGOBGSA-N 0 0 321.329 0.974 50 0 DCAARN Nc1n[nH]c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1 ZINC000006101995 181312708 /nfs/dbraw/zinc/31/27/08/181312708.db2.gz GZQLOBGVZRCIRA-UHFFFAOYSA-N 0 0 305.323 0.287 50 0 DCAARN CCOC(=O)CNC(=O)CCCCc1c(C)nc(N)[nH]c1=O ZINC000006160207 181317214 /nfs/dbraw/zinc/31/72/14/181317214.db2.gz DRCGFQWXVXZNOQ-UHFFFAOYSA-N 0 0 310.354 0.053 50 0 DCAARN O=C(C1CC1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000006237125 181321721 /nfs/dbraw/zinc/32/17/21/181321721.db2.gz SKWCSDMNRPMEDR-UHFFFAOYSA-N 0 0 300.405 0.991 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H]2CCCO2)[C@H](C)CN1C(=O)[C@@H]1CCCO1 ZINC000006250593 181322725 /nfs/dbraw/zinc/32/27/25/181322725.db2.gz NCRJFOUCNRHDNJ-MQYQWHSLSA-N 0 0 310.394 0.792 50 0 DCAARN Cn1cc([C@@H](NS(=O)(=O)N2CCCC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244853040 202501805 /nfs/dbraw/zinc/50/18/05/202501805.db2.gz VEDXCOAFMGUBFP-UHTWSYAYSA-N 0 0 314.411 0.162 50 0 DCAARN O=S(=O)(N1CCOCC1)N1CCN(CCCCCF)CC1 ZINC000408019235 239259394 /nfs/dbraw/zinc/25/93/94/239259394.db2.gz CWVUMUWYAYMJQE-UHFFFAOYSA-N 0 0 323.434 0.321 50 0 DCAARN CN1c2ccccc2N(CCNC(=O)c2ccno2)S1(=O)=O ZINC000245039140 202511751 /nfs/dbraw/zinc/51/17/51/202511751.db2.gz OHIKUJILLUPDFV-UHFFFAOYSA-N 0 0 322.346 0.606 50 0 DCAARN O=C(Cn1cnc2ccccc2c1=O)OCC(=O)N1CCCC1 ZINC000006548859 181353297 /nfs/dbraw/zinc/35/32/97/181353297.db2.gz ZIGDRTHGQUMTIB-UHFFFAOYSA-N 0 0 315.329 0.562 50 0 DCAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnnn1C ZINC000006643603 181364658 /nfs/dbraw/zinc/36/46/58/181364658.db2.gz CSUXAVFJLCKRRY-GFCCVEGCSA-N 0 0 319.390 0.619 50 0 DCAARN CC(=O)c1cccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000006719400 181376462 /nfs/dbraw/zinc/37/64/62/181376462.db2.gz JRAMKMPCAPOWEP-RYUDHWBXSA-N 0 0 310.400 0.749 50 0 DCAARN CCn1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)cn1 ZINC000006741358 181380794 /nfs/dbraw/zinc/38/07/94/181380794.db2.gz AWPJZXFCKLANQT-UHFFFAOYSA-N 0 0 301.368 0.431 50 0 DCAARN CCCCS(=O)(=O)N1CCC(C(=O)NC(C)(C)CO)CC1 ZINC000006746181 181381670 /nfs/dbraw/zinc/38/16/70/181381670.db2.gz PNKFCPXWCPHFEA-UHFFFAOYSA-N 0 0 320.455 0.715 50 0 DCAARN CN(C)[C@@H](C(=O)NCCc1ncnn1C)c1cccc(F)c1 ZINC000091452600 193058725 /nfs/dbraw/zinc/05/87/25/193058725.db2.gz UFPJNCFHQNBPOW-CQSZACIVSA-N 0 0 305.357 0.916 50 0 DCAARN CCO[C@H]1C[C@@H](O)C12CCN(c1cncc(C(N)=O)n1)CC2 ZINC000091381049 193049318 /nfs/dbraw/zinc/04/93/18/193049318.db2.gz FBLCUOQVUXNOQI-NEPJUHHUSA-N 0 0 306.366 0.332 50 0 DCAARN CCc1noc([C@@H]2CCC(=O)N(CCN3CCOCC3)C2)n1 ZINC000091391127 193049466 /nfs/dbraw/zinc/04/94/66/193049466.db2.gz LBVPDQJNIJKIOH-GFCCVEGCSA-N 0 0 308.382 0.670 50 0 DCAARN CSCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2 ZINC000091409927 193052032 /nfs/dbraw/zinc/05/20/32/193052032.db2.gz XSFKMCMHJJDOHH-NWDGAFQWSA-N 0 0 320.418 0.903 50 0 DCAARN C[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@@]1(O)C1CC1 ZINC000091586655 193075408 /nfs/dbraw/zinc/07/54/08/193075408.db2.gz UVQDWSBVCMFFGY-DIFFPNOSSA-N 0 0 318.373 0.784 50 0 DCAARN Cc1nc(CC(=O)N2C[C@@H]3CC[N@@H+](C)C[C@]3(C(=O)[O-])C2)cs1 ZINC000091603745 193078432 /nfs/dbraw/zinc/07/84/32/193078432.db2.gz WAWKOYAPSDTJOA-NHYWBVRUSA-N 0 0 323.418 0.859 50 0 DCAARN Cc1nc(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)sc1C ZINC000091616841 193079501 /nfs/dbraw/zinc/07/95/01/193079501.db2.gz JSYZOOSRZDGUMZ-VIFPVBQESA-N 0 0 310.379 0.407 50 0 DCAARN O=C(c1ccns1)N1CCC2(CC1)[C@H](O)C[C@@H]2OCCO ZINC000091645334 193084154 /nfs/dbraw/zinc/08/41/54/193084154.db2.gz UQBVJVMRNXEZDW-NEPJUHHUSA-N 0 0 312.391 0.508 50 0 DCAARN O=C(NCCN1CCOC1=O)[C@H]1CC(=O)Nc2ccc(F)cc21 ZINC000091738263 193100437 /nfs/dbraw/zinc/10/04/37/193100437.db2.gz ULYRNDUUFYYIJM-NSHDSACASA-N 0 0 321.308 0.820 50 0 DCAARN CCOc1ccc(CCCNC(=O)CN2C(=O)CNC2=O)cc1 ZINC000091769243 193103753 /nfs/dbraw/zinc/10/37/53/193103753.db2.gz RWEGSGMXAKUJSF-UHFFFAOYSA-N 0 0 319.361 0.686 50 0 DCAARN Cc1cc(N2CCC3(CCC(=O)N(CCO)C3)CC2)ncn1 ZINC000091793093 193109285 /nfs/dbraw/zinc/10/92/85/193109285.db2.gz OGNZUCBOEOUHBW-UHFFFAOYSA-N 0 0 304.394 0.986 50 0 DCAARN Cn1cccc1-c1cc(C(=O)N[C@H]2C=CS(=O)(=O)C2)[nH]n1 ZINC000091877279 193121895 /nfs/dbraw/zinc/12/18/95/193121895.db2.gz NKHPGSGYCVHPPR-VIFPVBQESA-N 0 0 306.347 0.456 50 0 DCAARN CN(C)c1cccc(CNC(=O)CC[C@@H]2NC(=O)NC2=O)c1 ZINC000092037742 193144512 /nfs/dbraw/zinc/14/45/12/193144512.db2.gz PRZCWEBMSRQQIF-LBPRGKRZSA-N 0 0 304.350 0.357 50 0 DCAARN NC(=O)CNC(=O)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000092099978 193158164 /nfs/dbraw/zinc/15/81/64/193158164.db2.gz SRSGTQQTMUEMNE-CQSZACIVSA-N 0 0 317.389 0.459 50 0 DCAARN C[C@@H](NC(=O)C1=NNC(=O)CC1)c1nncn1C1CCCC1 ZINC000222237643 201603853 /nfs/dbraw/zinc/60/38/53/201603853.db2.gz GSTLZHNXNAZZAD-SECBINFHSA-N 0 0 304.354 0.836 50 0 DCAARN Cn1cnc(S(=O)(=O)N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)c1 ZINC000252536298 202863124 /nfs/dbraw/zinc/86/31/24/202863124.db2.gz ICBQZXNDTIZOTC-UHIISALHSA-N 0 0 322.390 0.606 50 0 DCAARN Cn1cc([C@H](NC(=O)c2cccc(=O)[nH]2)[C@H]2C[C@@H](O)C2)cn1 ZINC000253535145 202894793 /nfs/dbraw/zinc/89/47/93/202894793.db2.gz DTKGVRFZZGHCFC-OLUVUFQESA-N 0 0 302.334 0.763 50 0 DCAARN COC(=O)[C@H]1[C@H](C(=O)OC)C(=O)CCN1Cc1ccccc1 ZINC000261508023 203073532 /nfs/dbraw/zinc/07/35/32/203073532.db2.gz OYUQDMYUAQYUDR-ZIAGYGMSSA-N 0 0 305.330 0.792 50 0 DCAARN Cn1nncc1CN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000093142227 193207396 /nfs/dbraw/zinc/20/73/96/193207396.db2.gz JIFQLWJWKJSVNE-UHFFFAOYSA-N 0 0 320.441 0.191 50 0 DCAARN CCCNC(=O)[C@@H](C)NC(=O)CNC(=O)COc1ccccc1 ZINC000007627426 181480371 /nfs/dbraw/zinc/48/03/71/181480371.db2.gz ARTLNEATTDSNQM-GFCCVEGCSA-N 0 0 321.377 0.213 50 0 DCAARN Cc1cc(N)n(CC(=O)N2CCC3(CC2)OCCC[C@@H]3O)n1 ZINC000095357558 193429655 /nfs/dbraw/zinc/42/96/55/193429655.db2.gz RNVGZJHTOLPOOY-LBPRGKRZSA-N 0 0 308.382 0.306 50 0 DCAARN CS(=O)(=O)[C@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000096098099 193535795 /nfs/dbraw/zinc/53/57/95/193535795.db2.gz FASMELSREJVDIW-LBPRGKRZSA-N 0 0 321.395 0.774 50 0 DCAARN Cc1cc(C(=O)NCC(=O)Nc2nnc(C3CC3)s2)n(C)n1 ZINC000096192406 193571233 /nfs/dbraw/zinc/57/12/33/193571233.db2.gz FSHFDIMMZKSRMV-UHFFFAOYSA-N 0 0 320.378 0.826 50 0 DCAARN COC(=O)CNC(=O)c1nnn(Cc2ccc(C)cc2)c1OC ZINC000096183389 193562576 /nfs/dbraw/zinc/56/25/76/193562576.db2.gz UGAFPVTXNVMULQ-UHFFFAOYSA-N 0 0 318.333 0.546 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)/C=C\c2ccc3c(c2)OCCO3)C1 ZINC000096295872 193610550 /nfs/dbraw/zinc/61/05/50/193610550.db2.gz SZJBUQINAAQNGL-DTRQGZQOSA-N 0 0 302.330 0.805 50 0 DCAARN O=c1n(Cc2nc([C@@H]3CCOC3)no2)nc2n1CCCCC2 ZINC000096462722 193657533 /nfs/dbraw/zinc/65/75/33/193657533.db2.gz YKIZDVDAKFNIDL-SNVBAGLBSA-N 0 0 305.338 0.706 50 0 DCAARN COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)NC(C)(C)C ZINC000004106672 291507846 /nfs/dbraw/zinc/50/78/46/291507846.db2.gz JDKJHAIDSWRPEG-YUMQZZPRSA-N 0 0 304.368 0.584 50 0 DCAARN O=C(OCN1C(=O)c2ccccc2C1=O)C1=NNC(=O)CC1 ZINC000008040214 181521735 /nfs/dbraw/zinc/52/17/35/181521735.db2.gz ZWYVJEBSHJZQNQ-UHFFFAOYSA-N 0 0 301.258 0.049 50 0 DCAARN COCCNC(=O)CNC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000008768264 181584451 /nfs/dbraw/zinc/58/44/51/181584451.db2.gz GIUXXOLMYVQRGV-UHFFFAOYSA-N 0 0 323.374 0.223 50 0 DCAARN CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000008944926 181592729 /nfs/dbraw/zinc/59/27/29/181592729.db2.gz XPICLKYMXBRWKQ-UHFFFAOYSA-N 0 0 315.395 0.186 50 0 DCAARN Cn1c(=O)cc(Cn2cc(C(F)(F)F)ccc2=O)n(C)c1=O ZINC000010497485 181672662 /nfs/dbraw/zinc/67/26/62/181672662.db2.gz WAYVCFNANBKYNV-UHFFFAOYSA-N 0 0 315.251 0.313 50 0 DCAARN COCC(=O)NCCn1ncc2c1ncnc2N1CCCC1 ZINC000011665907 181698413 /nfs/dbraw/zinc/69/84/13/181698413.db2.gz BVZLSQWCSJEKKD-UHFFFAOYSA-N 0 0 304.354 0.189 50 0 DCAARN O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000011873607 181713601 /nfs/dbraw/zinc/71/36/01/181713601.db2.gz HVZHRMIEQWVCFO-AWEZNQCLSA-N 0 0 316.336 0.940 50 0 DCAARN CC(C)CCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000012382224 181754531 /nfs/dbraw/zinc/75/45/31/181754531.db2.gz JHFXGOPXYXDGQT-UHFFFAOYSA-N 0 0 311.363 0.541 50 0 DCAARN O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCNC(=O)C1 ZINC000012612309 181782853 /nfs/dbraw/zinc/78/28/53/181782853.db2.gz HQRYLFJIYFFCAR-UHFFFAOYSA-N 0 0 319.752 0.552 50 0 DCAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)c(Br)c1 ZINC000012951123 181815023 /nfs/dbraw/zinc/81/50/23/181815023.db2.gz DYWAKOKVJFNQPS-ZETCQYMHSA-N 0 0 321.196 0.910 50 0 DCAARN CCCCn1nnnc1CN1CCc2ncnc(N(C)C)c2C1 ZINC000097202361 193689367 /nfs/dbraw/zinc/68/93/67/193689367.db2.gz OIVAVLZTOFQUDU-UHFFFAOYSA-N 0 0 316.413 0.888 50 0 DCAARN CN(C)C(=O)CCCS(=O)(=O)CC(=O)N1CCCCCC1 ZINC000097325381 193708633 /nfs/dbraw/zinc/70/86/33/193708633.db2.gz IDZYYSUVNKDODE-UHFFFAOYSA-N 0 0 318.439 0.672 50 0 DCAARN NC(=O)CN1CCCN(Cc2ccccc2Cl)S1(=O)=O ZINC000015725783 182013379 /nfs/dbraw/zinc/01/33/79/182013379.db2.gz IWMMZWWKJOLLNS-UHFFFAOYSA-N 0 0 317.798 0.578 50 0 DCAARN CNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000016189353 182036474 /nfs/dbraw/zinc/03/64/74/182036474.db2.gz ZNFFHLXXGXACTE-UHFFFAOYSA-N 0 0 315.420 0.624 50 0 DCAARN COc1cn2c(cc1=O)C(=O)N(CCNC(=O)C(C)C)CC2 ZINC000016850483 182061874 /nfs/dbraw/zinc/06/18/74/182061874.db2.gz RDTAAFXREHAATP-UHFFFAOYSA-N 0 0 307.350 0.085 50 0 DCAARN CCCNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000016648168 182055303 /nfs/dbraw/zinc/05/53/03/182055303.db2.gz ITAAVBOBKDMKSB-UHFFFAOYSA-N 0 0 300.380 0.842 50 0 DCAARN COc1cn(CC(=O)NC(C)C)c(CN2CCOCC2)cc1=O ZINC000017113466 182075599 /nfs/dbraw/zinc/07/55/99/182075599.db2.gz GCMIUMSTQONTNT-UHFFFAOYSA-N 0 0 323.393 0.214 50 0 DCAARN CCCNC(=O)C(=O)NCCN1CCO[C@@H](c2ccccc2)C1 ZINC000017286097 182080662 /nfs/dbraw/zinc/08/06/62/182080662.db2.gz SBJMCJMSDHIOBV-OAHLLOKOSA-N 0 0 319.405 0.702 50 0 DCAARN C[C@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)Nc1ccccc1 ZINC000019001595 182103159 /nfs/dbraw/zinc/10/31/59/182103159.db2.gz UUNWXPMOJTYZCF-ONGXEEELSA-N 0 0 319.317 0.545 50 0 DCAARN Nc1cc(=O)[nH]c(SCn2nnc3ccccc3c2=O)n1 ZINC000018158228 182095331 /nfs/dbraw/zinc/09/53/31/182095331.db2.gz UKDDVPFPJLOQMN-UHFFFAOYSA-N 0 0 302.319 0.207 50 0 DCAARN COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)cc1 ZINC000019770974 182145531 /nfs/dbraw/zinc/14/55/31/182145531.db2.gz ARNPJUNLOPZOPW-CYBMUJFWSA-N 0 0 318.329 0.437 50 0 DCAARN Cc1ccc(CNC(=O)C(=O)NCCCN2CCOCC2)cc1 ZINC000019831230 182154108 /nfs/dbraw/zinc/15/41/08/182154108.db2.gz TUCIZQIVPWFUJX-UHFFFAOYSA-N 0 0 319.405 0.450 50 0 DCAARN O=C(NCCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1 ZINC000019831302 182155020 /nfs/dbraw/zinc/15/50/20/182155020.db2.gz CXHIMVPAKYTOMN-UHFFFAOYSA-N 0 0 311.769 0.727 50 0 DCAARN COCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1 ZINC000020510463 182225830 /nfs/dbraw/zinc/22/58/30/182225830.db2.gz KBLNFYPDZWTREQ-UHFFFAOYSA-N 0 0 315.395 0.566 50 0 DCAARN Cn1nc(C(=O)NCCCN2CCOCC2)cc1C(F)(F)F ZINC000020601880 182236706 /nfs/dbraw/zinc/23/67/06/182236706.db2.gz UHFRZEBCOOEQHR-UHFFFAOYSA-N 0 0 320.315 0.891 50 0 DCAARN C[C@H](OC(=O)c1ccc2c(c1)OCCCO2)C(=O)NC(N)=O ZINC000021417543 182273774 /nfs/dbraw/zinc/27/37/74/182273774.db2.gz NLXHJXRBMQHZKE-QMMMGPOBSA-N 0 0 308.290 0.588 50 0 DCAARN CNC(=O)NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O ZINC000021267960 182270065 /nfs/dbraw/zinc/27/00/65/182270065.db2.gz HSQHPZXCVNVKCD-MRVPVSSYSA-N 0 0 322.296 0.438 50 0 DCAARN NC(=O)CN1CCCN(Cc2ccccc2F)S1(=O)=O ZINC000021923467 182297989 /nfs/dbraw/zinc/29/79/89/182297989.db2.gz JSULHJROJBKVHN-UHFFFAOYSA-N 0 0 301.343 0.064 50 0 DCAARN Cc1nc(CC(=O)O[C@@H](C)C(=O)NC(=O)NC2CC2)cs1 ZINC000021977589 182301430 /nfs/dbraw/zinc/30/14/30/182301430.db2.gz FPXVVCSTVYDUTM-ZETCQYMHSA-N 0 0 311.363 0.914 50 0 DCAARN O=C(CNC(=O)c1cccs1)NCC(=O)Nc1ccncc1 ZINC000022260615 182315822 /nfs/dbraw/zinc/31/58/22/182315822.db2.gz OTNYEYKRAVCUOM-UHFFFAOYSA-N 0 0 318.358 0.628 50 0 DCAARN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2ccccn2)CC1 ZINC000022474435 182322875 /nfs/dbraw/zinc/32/28/75/182322875.db2.gz STEVMTPCKREQCK-NSHDSACASA-N 0 0 305.334 0.318 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000022766591 182334268 /nfs/dbraw/zinc/33/42/68/182334268.db2.gz PXILMOKOEPXEGP-QMMMGPOBSA-N 0 0 305.256 0.338 50 0 DCAARN CC(=O)c1cc2c(cc1NC(=O)CN1CCN(C)CC1)OCO2 ZINC000022858942 182337555 /nfs/dbraw/zinc/33/75/55/182337555.db2.gz DNCLERRKCDJSBJ-UHFFFAOYSA-N 0 0 319.361 0.804 50 0 DCAARN COC(=O)CN1CCN(CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000022934991 182342147 /nfs/dbraw/zinc/34/21/47/182342147.db2.gz AJYLGUNVHXXAIF-UHFFFAOYSA-N 0 0 321.377 0.424 50 0 DCAARN CCN(CCO)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000024671628 182386836 /nfs/dbraw/zinc/38/68/36/182386836.db2.gz DTWYEXNEHKQIHW-UHFFFAOYSA-N 0 0 307.350 0.755 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(C(=O)CCc2ccco2)CC1 ZINC000025209107 182404720 /nfs/dbraw/zinc/40/47/20/182404720.db2.gz DVQYNVWWERJFQG-UHFFFAOYSA-N 0 0 315.395 0.163 50 0 DCAARN CNC(=O)CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000025194681 182404276 /nfs/dbraw/zinc/40/42/76/182404276.db2.gz LAKQHWJPTKSDKY-UHFFFAOYSA-N 0 0 306.290 0.159 50 0 DCAARN O=C(CCn1nnc2ccccc2c1=O)OC[C@H]1CCCO1 ZINC000028452999 182524231 /nfs/dbraw/zinc/52/42/31/182524231.db2.gz GZFPYBFYVDENGB-LLVKDONJSA-N 0 0 303.318 0.904 50 0 DCAARN CCc1ccc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)o1 ZINC000029202911 182555649 /nfs/dbraw/zinc/55/56/49/182555649.db2.gz WARKXFXZNUWMOI-JTQLQIEISA-N 0 0 300.380 0.996 50 0 DCAARN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000067740299 296228479 /nfs/dbraw/zinc/22/84/79/296228479.db2.gz NIBUUAGBZRLPIR-ZJUUUORDSA-N 0 0 300.318 0.349 50 0 DCAARN NC(=O)[C@@H]1CC(C(=O)NCc2cccnc2)=NN1c1ccccc1 ZINC000029974200 182582516 /nfs/dbraw/zinc/58/25/16/182582516.db2.gz AVVOVSPDWLQKGS-HNNXBMFYSA-N 0 0 323.356 0.818 50 0 DCAARN CN(Cc1ccco1)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000031458882 182614341 /nfs/dbraw/zinc/61/43/41/182614341.db2.gz ZVBCLIKEIRQSTO-UHFFFAOYSA-N 0 0 300.380 0.910 50 0 DCAARN CN1CC(=O)N(C[C@H](O)COCc2ccc3c(c2)OCO3)C1=O ZINC000032750840 182659224 /nfs/dbraw/zinc/65/92/24/182659224.db2.gz WSSJAHBGNZBNRZ-NSHDSACASA-N 0 0 322.317 0.187 50 0 DCAARN Cn1c(=O)ccn(CC(=O)N2CCC[C@H]2c2ccncc2)c1=O ZINC000032954953 182684911 /nfs/dbraw/zinc/68/49/11/182684911.db2.gz WGQCWMURJRKYFL-ZDUSSCGKSA-N 0 0 314.345 0.306 50 0 DCAARN CCOc1ccc(NC(=S)N2CCN(CC(N)=O)CC2)cc1 ZINC000036542301 182827257 /nfs/dbraw/zinc/82/72/57/182827257.db2.gz VUGRFBBICPPFOP-UHFFFAOYSA-N 0 0 322.434 0.885 50 0 DCAARN O=C(NCCn1ncccc1=O)[C@H]1COc2ccccc2O1 ZINC000038510228 183001183 /nfs/dbraw/zinc/00/11/83/183001183.db2.gz GKGLUJWVIIJLAW-CYBMUJFWSA-N 0 0 301.302 0.200 50 0 DCAARN Cc1nnnn1-c1cccc(NC(=O)C(=O)NCC(C)C)c1 ZINC000040266693 183049213 /nfs/dbraw/zinc/04/92/13/183049213.db2.gz CCGOAAJPWLBRSI-UHFFFAOYSA-N 0 0 302.338 0.681 50 0 DCAARN CN1c2ccccc2[C@H](NC(=O)C(=O)NC2CCCC2)C1=O ZINC000040287907 183051999 /nfs/dbraw/zinc/05/19/99/183051999.db2.gz UYXZBVMGVDMOQC-ZDUSSCGKSA-N 0 0 301.346 0.879 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000040468128 183073490 /nfs/dbraw/zinc/07/34/90/183073490.db2.gz XBGYNBCWFZNIGI-CYBMUJFWSA-N 0 0 314.382 0.908 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)CCC(=O)c2ccccc2)CC1 ZINC000040473117 183074266 /nfs/dbraw/zinc/07/42/66/183074266.db2.gz UJHQNRIMOBFDQF-UHFFFAOYSA-N 0 0 324.402 0.753 50 0 DCAARN CC(C)n1ncc2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)cnc21 ZINC000040479858 183076680 /nfs/dbraw/zinc/07/66/80/183076680.db2.gz CJGDTUDEHJNQLO-LBPRGKRZSA-N 0 0 322.390 0.929 50 0 DCAARN O=C(Cn1ccccc1=O)N1CCN(Cc2ccco2)CC1 ZINC000040489085 183079173 /nfs/dbraw/zinc/07/91/73/183079173.db2.gz GUNCEERUEQNFFX-UHFFFAOYSA-N 0 0 301.346 0.786 50 0 DCAARN CCCCNC(=O)CN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000040489926 183079663 /nfs/dbraw/zinc/07/96/63/183079663.db2.gz CLAOSMSGRGLKGU-GFCCVEGCSA-N 0 0 309.414 0.973 50 0 DCAARN O=C(NCc1ccco1)NC[C@H]([C@H]1CCOC1)N1CCOCC1 ZINC000040490219 183079763 /nfs/dbraw/zinc/07/97/63/183079763.db2.gz OPODGMPMPLKBQK-DZGCQCFKSA-N 0 0 323.393 0.816 50 0 DCAARN O=C([C@@H]1CCCN(Cc2nnnn2C2CC2)C1)N1CCOCC1 ZINC000040494073 183080424 /nfs/dbraw/zinc/08/04/24/183080424.db2.gz SVGMPTJEZSPJTH-GFCCVEGCSA-N 0 0 320.397 0.079 50 0 DCAARN Cc1cc(=O)n2ncnc2n1C[C@H](O)COc1ccc(F)cc1 ZINC000040498026 183082976 /nfs/dbraw/zinc/08/29/76/183082976.db2.gz KYCQWFDPWOYAFN-LBPRGKRZSA-N 0 0 318.308 0.778 50 0 DCAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CC(=O)N(C)C1 ZINC000040506292 183085598 /nfs/dbraw/zinc/08/55/98/183085598.db2.gz HSXJFEIXXPHZLJ-LBPRGKRZSA-N 0 0 304.346 0.895 50 0 DCAARN C[C@H](CNS(=O)(=O)N1CCC(C)CC1)N1CCOCC1 ZINC000040510942 183086872 /nfs/dbraw/zinc/08/68/72/183086872.db2.gz JCVKCLMKXRKHNS-CYBMUJFWSA-N 0 0 305.444 0.273 50 0 DCAARN C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1cc(F)ccc1F ZINC000040514095 183088631 /nfs/dbraw/zinc/08/86/31/183088631.db2.gz JOILSMNDEIYDEX-VIFPVBQESA-N 0 0 323.299 0.703 50 0 DCAARN C[C@H](C1CC1)N(C)C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000040516205 183089660 /nfs/dbraw/zinc/08/96/60/183089660.db2.gz CONQPHZHVMMTRA-LLVKDONJSA-N 0 0 311.407 0.959 50 0 DCAARN CC(C)N(C)S(=O)(=O)N1CCN(Cc2ccccn2)CC1 ZINC000040528073 183093655 /nfs/dbraw/zinc/09/36/55/183093655.db2.gz CTTYOVNNONTMGQ-UHFFFAOYSA-N 0 0 312.439 0.784 50 0 DCAARN O=C(Cn1cnnn1)NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000040534224 183094779 /nfs/dbraw/zinc/09/47/79/183094779.db2.gz NXDURDCPOFQEMM-AWEZNQCLSA-N 0 0 317.349 0.547 50 0 DCAARN CN(Cc1ccco1)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000040553495 183100707 /nfs/dbraw/zinc/10/07/07/183100707.db2.gz AGRHXFKHWJSGLT-UHFFFAOYSA-N 0 0 315.395 0.845 50 0 DCAARN CN(CC1CC1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000040555163 183101884 /nfs/dbraw/zinc/10/18/84/183101884.db2.gz VQAMNQJKXFIKCU-UHFFFAOYSA-N 0 0 302.334 0.114 50 0 DCAARN CS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CCOC2)cc1 ZINC000041274076 183182443 /nfs/dbraw/zinc/18/24/43/183182443.db2.gz KXBPKQJBIPGTRF-GFCCVEGCSA-N 0 0 312.391 0.926 50 0 DCAARN CC(=O)N[C@@H](CC(=O)N1CC[C@@H](C(N)=O)C1)c1cccs1 ZINC000041130220 183170271 /nfs/dbraw/zinc/17/02/71/183170271.db2.gz UGXBXMNELFDFTI-MNOVXSKESA-N 0 0 309.391 0.649 50 0 DCAARN CC(C)n1ncc2cc(C(=O)N3CC[C@H](C(N)=O)C3)cnc21 ZINC000041129223 183170292 /nfs/dbraw/zinc/17/02/92/183170292.db2.gz PBWSEBUHZYRVBP-JTQLQIEISA-N 0 0 301.350 0.960 50 0 DCAARN O=C(Cc1csc(N2CCCC2=O)n1)NC[C@H]1CCOC1 ZINC000041372557 183187459 /nfs/dbraw/zinc/18/74/59/183187459.db2.gz OOJZISQVJZUYQS-SNVBAGLBSA-N 0 0 309.391 0.965 50 0 DCAARN CS(=O)(=O)N1CCc2cc(C(=O)NC[C@@H]3CCOC3)ccc21 ZINC000041373327 183187553 /nfs/dbraw/zinc/18/75/53/183187553.db2.gz SUVCMOBKBADUPP-NSHDSACASA-N 0 0 324.402 0.775 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)NC[C@@H]1COc2ccccc2C1 ZINC000041997845 183227960 /nfs/dbraw/zinc/22/79/60/183227960.db2.gz OMXWUMYFZLSYIQ-ZYHUDNBSSA-N 0 0 317.345 0.342 50 0 DCAARN CCS(=O)(=O)NCCNS(=O)(=O)c1cc(C)ccc1C ZINC000041627142 183211905 /nfs/dbraw/zinc/21/19/05/183211905.db2.gz JEFGCDNRJUOGJK-UHFFFAOYSA-N 0 0 320.436 0.521 50 0 DCAARN Cc1noc(C)c1CN(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000042132805 183233740 /nfs/dbraw/zinc/23/37/40/183233740.db2.gz YKLCRBCECYLADD-LLVKDONJSA-N 0 0 315.395 0.027 50 0 DCAARN Cc1nc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)cs1 ZINC000042360725 183257911 /nfs/dbraw/zinc/25/79/11/183257911.db2.gz HZSVQQDYDCNJSA-GFCCVEGCSA-N 0 0 322.434 0.574 50 0 DCAARN CCOC(=O)CN1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000042596836 183289607 /nfs/dbraw/zinc/28/96/07/183289607.db2.gz RMRCDDDZCSZTCT-UHFFFAOYSA-N 0 0 321.425 0.685 50 0 DCAARN CS(=O)(=O)NCCC(=O)NC[C@@H]1COc2ccccc2C1 ZINC000042723568 183302094 /nfs/dbraw/zinc/30/20/94/183302094.db2.gz MZTWJJFSFCOVMI-LLVKDONJSA-N 0 0 312.391 0.293 50 0 DCAARN CC(=O)N[C@@H](C(=O)NC[C@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000044722200 183435748 /nfs/dbraw/zinc/43/57/48/183435748.db2.gz AVZVDYMLVJZXSE-DGCLKSJQSA-N 0 0 316.423 0.232 50 0 DCAARN C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)n1cncn1 ZINC000044908775 183454199 /nfs/dbraw/zinc/45/41/99/183454199.db2.gz OUVUIJSOUGPYRH-LLVKDONJSA-N 0 0 302.334 0.969 50 0 DCAARN C[C@H]1COCCN1C(=O)CCn1c2ccccc2n(C)c1=O ZINC000044912413 183455662 /nfs/dbraw/zinc/45/56/62/183455662.db2.gz GOUDWLNYSNNQHU-LBPRGKRZSA-N 0 0 303.362 0.977 50 0 DCAARN COc1cc(C)c(S(=O)(=O)NCCNC(C)=O)c(C)c1 ZINC000044915134 183456504 /nfs/dbraw/zinc/45/65/04/183456504.db2.gz MVEACLQRHYBQDW-UHFFFAOYSA-N 0 0 300.380 0.726 50 0 DCAARN CN(CC(N)=O)CC(=O)Nc1ccc(Br)cn1 ZINC000047628523 183598770 /nfs/dbraw/zinc/59/87/70/183598770.db2.gz LQLXEAMVTAQTJI-UHFFFAOYSA-N 0 0 301.144 0.200 50 0 DCAARN C[C@H](C(=O)NCc1nncn1-c1ccccc1)S(C)(=O)=O ZINC000048115821 183622155 /nfs/dbraw/zinc/62/21/55/183622155.db2.gz BQUWAUNQHOFGQA-SNVBAGLBSA-N 0 0 308.363 0.317 50 0 DCAARN CC(=O)N1CCC(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 ZINC000048288546 183639038 /nfs/dbraw/zinc/63/90/38/183639038.db2.gz UPOLANPZVBDEHM-HNNXBMFYSA-N 0 0 316.357 0.895 50 0 DCAARN CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CCOCC2)cc1 ZINC000056640561 184016851 /nfs/dbraw/zinc/01/68/51/184016851.db2.gz GAWHTSAWRKMUTD-DAXSKMNVSA-N 0 0 310.375 0.467 50 0 DCAARN COc1ccc(N2C[C@@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1 ZINC000057051001 184025772 /nfs/dbraw/zinc/02/57/72/184025772.db2.gz JISWSDLLBZFCKM-JTQLQIEISA-N 0 0 319.361 0.428 50 0 DCAARN Cc1c(C(=O)N2CC[C@@H](C(N)=O)C2)nnn1-c1ccc(C)cc1 ZINC000056877348 184020716 /nfs/dbraw/zinc/02/07/16/184020716.db2.gz REMSBIXMZVMTMN-GFCCVEGCSA-N 0 0 313.361 0.832 50 0 DCAARN Cc1[nH]nc2ncc(C(=O)NCC3(C(N)=O)CCOCC3)cc12 ZINC000057010382 184024477 /nfs/dbraw/zinc/02/44/77/184024477.db2.gz DZOBBDDENWKNSX-UHFFFAOYSA-N 0 0 317.349 0.278 50 0 DCAARN CCCn1nnnc1CN1C(=O)N[C@](C)(c2ccco2)C1=O ZINC000058065344 184073058 /nfs/dbraw/zinc/07/30/58/184073058.db2.gz HUPIBLXQFLKDGF-CYBMUJFWSA-N 0 0 304.310 0.643 50 0 DCAARN O=C(CN1C(=O)NC2(CCOCC2)C1=O)Nc1ccc(F)cc1 ZINC000057947149 184063716 /nfs/dbraw/zinc/06/37/16/184063716.db2.gz OFHPRHXBTRZYJN-UHFFFAOYSA-N 0 0 321.308 0.865 50 0 DCAARN CCOc1ccc(NC(=O)CNC(=O)CCn2cncn2)cc1 ZINC000058005694 184066333 /nfs/dbraw/zinc/06/63/33/184066333.db2.gz DPSUJBULXSTFMN-UHFFFAOYSA-N 0 0 317.349 0.822 50 0 DCAARN COc1cc(C)c(S(=O)(=O)N(C)CC(N)=O)cc1OC ZINC000058178427 184085026 /nfs/dbraw/zinc/08/50/26/184085026.db2.gz MHLSYJQQTUHLQB-UHFFFAOYSA-N 0 0 302.352 0.118 50 0 DCAARN O=C(CCN1C(=O)c2ccccc2C1=O)N[C@H]1CCCNC1=O ZINC000058181892 184085701 /nfs/dbraw/zinc/08/57/01/184085701.db2.gz VTWGZWJVCJOZKR-LBPRGKRZSA-N 0 0 315.329 0.068 50 0 DCAARN CON(C)S(=O)(=O)c1cccc(C(=O)Nc2cc[nH]n2)c1 ZINC000058192470 184085804 /nfs/dbraw/zinc/08/58/04/184085804.db2.gz JPEWECCKLXJHOW-UHFFFAOYSA-N 0 0 310.335 0.844 50 0 DCAARN O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1CCCS1(=O)=O ZINC000058214723 184089348 /nfs/dbraw/zinc/08/93/48/184089348.db2.gz KQECQEDXKZLFRW-ZDUSSCGKSA-N 0 0 322.386 0.597 50 0 DCAARN CC(C)(C)C(=O)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC000058230870 184091985 /nfs/dbraw/zinc/09/19/85/184091985.db2.gz AKFWKARKTBOXBO-UHFFFAOYSA-N 0 0 318.333 0.730 50 0 DCAARN C[C@@H]1CCC[C@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)C1 ZINC000058344304 184107399 /nfs/dbraw/zinc/10/73/99/184107399.db2.gz QBBIVCOBDOIPGK-MNOVXSKESA-N 0 0 314.411 0.616 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccnc(-n2ccnc2)c1 ZINC000058379477 184110512 /nfs/dbraw/zinc/11/05/12/184110512.db2.gz KWJSMLGDFNJFDG-LLVKDONJSA-N 0 0 320.374 0.432 50 0 DCAARN CCc1ccc(O)c(C(=O)NCCCN(C)S(C)(=O)=O)c1 ZINC000058390514 184111409 /nfs/dbraw/zinc/11/14/09/184111409.db2.gz UIADTZYLUYHJDU-UHFFFAOYSA-N 0 0 314.407 0.966 50 0 DCAARN C[C@H]1CCCN(C(=O)Cn2c(=O)onc2-c2ncccn2)C1 ZINC000058290070 184100689 /nfs/dbraw/zinc/10/06/89/184100689.db2.gz UJBJOPJQUPKBMK-JTQLQIEISA-N 0 0 303.322 0.552 50 0 DCAARN O=C(Cn1c(=O)onc1-c1cnccn1)NCc1ccccc1 ZINC000058290500 184100898 /nfs/dbraw/zinc/10/08/98/184100898.db2.gz RRMGPXYFUKEYOI-UHFFFAOYSA-N 0 0 311.301 0.610 50 0 DCAARN C[C@@H]1CCCC[C@H]1NC(=O)Cn1c(=O)onc1-c1ncccn1 ZINC000058293037 184101548 /nfs/dbraw/zinc/10/15/48/184101548.db2.gz TTWKOBHYIHKTMR-GHMZBOCLSA-N 0 0 317.349 0.988 50 0 DCAARN CCCS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2cc(C)on2)C1 ZINC000058316028 184104516 /nfs/dbraw/zinc/10/45/16/184104516.db2.gz CFRBANAWCTVKKK-SNVBAGLBSA-N 0 0 316.383 0.919 50 0 DCAARN CNC(=O)CCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000058393435 184112456 /nfs/dbraw/zinc/11/24/56/184112456.db2.gz VCBCMCXKVUCMAJ-UHFFFAOYSA-N 0 0 320.317 0.549 50 0 DCAARN O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NC1CC1 ZINC000058412989 184114979 /nfs/dbraw/zinc/11/49/79/184114979.db2.gz OHEAAFUCRSMNAY-HNNXBMFYSA-N 0 0 313.357 0.741 50 0 DCAARN NC(=O)[C@@H]1CCCN1CCCN1C(=O)c2ccccc2C1=O ZINC000061759298 184186663 /nfs/dbraw/zinc/18/66/63/184186663.db2.gz QHFSFQNTWYSUCS-ZDUSSCGKSA-N 0 0 301.346 0.622 50 0 DCAARN CCS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(F)cc2)C1 ZINC000064554356 184299459 /nfs/dbraw/zinc/29/94/59/184299459.db2.gz ZRYZTHIQADPEPN-LBPRGKRZSA-N 0 0 300.355 0.980 50 0 DCAARN CCOc1ncccc1C(=O)N1CCCN(CC(N)=O)CC1 ZINC000063760048 184287750 /nfs/dbraw/zinc/28/77/50/184287750.db2.gz ZHAOAXSVRQBWSQ-UHFFFAOYSA-N 0 0 306.366 0.114 50 0 DCAARN CCCNC(=O)c1nc(Cn2cnc3ccccc3c2=O)no1 ZINC000064867899 184305167 /nfs/dbraw/zinc/30/51/67/184305167.db2.gz MWUYRUBVHKDFBS-UHFFFAOYSA-N 0 0 313.317 0.968 50 0 DCAARN CNS(=O)(=O)Cc1cccc(CNC(=O)Nc2cn[nH]c2)c1 ZINC000064624553 184301874 /nfs/dbraw/zinc/30/18/74/184301874.db2.gz GQYHLUBROHAZEB-UHFFFAOYSA-N 0 0 323.378 0.781 50 0 DCAARN CN(C)[C@@H](C(=O)NCCN1CCNC1=O)c1cccc(F)c1 ZINC000065385090 184333188 /nfs/dbraw/zinc/33/31/88/184333188.db2.gz LIPHANZTXPYSDF-CYBMUJFWSA-N 0 0 308.357 0.570 50 0 DCAARN CN(C)c1cc(O[C@@H]2CCN(C(=O)c3ccnn3C)C2)ncn1 ZINC000065269344 184320193 /nfs/dbraw/zinc/32/01/93/184320193.db2.gz ZZGDZSQPMYLYPT-LLVKDONJSA-N 0 0 316.365 0.570 50 0 DCAARN CN(Cc1nnc2n1CCC2)C(=O)N[C@@H]1CCCCNC1=O ZINC000065447725 184346276 /nfs/dbraw/zinc/34/62/76/184346276.db2.gz UFZHOWZGLHCLFC-SNVBAGLBSA-N 0 0 306.370 0.034 50 0 DCAARN COCc1c(C)onc1C(=O)N1CCN2CCN(C)C[C@@H]2C1 ZINC000065454466 184347490 /nfs/dbraw/zinc/34/74/90/184347490.db2.gz BDFAUUOHYOJDDK-GFCCVEGCSA-N 0 0 308.382 0.201 50 0 DCAARN CN(CC(=O)NC1CC1)Cc1nc2cc(F)ccc2n(C)c1=O ZINC000065458797 184347993 /nfs/dbraw/zinc/34/79/93/184347993.db2.gz CENAVSURUMGYLA-UHFFFAOYSA-N 0 0 318.352 0.783 50 0 DCAARN CC(C)CN1C[C@H](C(=O)N[C@@H]2CCc3nccn3C2)CC1=O ZINC000065463245 184349774 /nfs/dbraw/zinc/34/97/74/184349774.db2.gz WNRFVCLZDNZXLQ-CHWSQXEVSA-N 0 0 304.394 0.819 50 0 DCAARN CCNC(=O)CNCc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000065474804 184351472 /nfs/dbraw/zinc/35/14/72/184351472.db2.gz CPKFUGNFYPCRAG-UHFFFAOYSA-N 0 0 323.441 0.606 50 0 DCAARN CCn1cnnc1CNCc1c(C)nn(C)c1N1CCOCC1 ZINC000065479732 184352687 /nfs/dbraw/zinc/35/26/87/184352687.db2.gz KEMCAYRRTOPRHI-UHFFFAOYSA-N 0 0 319.413 0.466 50 0 DCAARN COC(=O)c1cc2n(n1)CCN(C(=O)c1cnc(C)nc1C)C2 ZINC000065396869 184335885 /nfs/dbraw/zinc/33/58/85/184335885.db2.gz OSRFRPKLSYWUPM-UHFFFAOYSA-N 0 0 315.333 0.733 50 0 DCAARN COC(=O)CNC(=O)Cc1ccc(NC(=O)C2=COCC2)cc1 ZINC000065551990 184364952 /nfs/dbraw/zinc/36/49/52/184364952.db2.gz NTXBZBQIFLAFKS-UHFFFAOYSA-N 0 0 318.329 0.761 50 0 DCAARN CN1N=C(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)CCC1=O ZINC000065563304 184365818 /nfs/dbraw/zinc/36/58/18/184365818.db2.gz MPSGUOKMWHXWFV-AWEZNQCLSA-N 0 0 314.345 0.294 50 0 DCAARN Cc1nc(CN2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)cs1 ZINC000065588486 184369163 /nfs/dbraw/zinc/36/91/63/184369163.db2.gz MAVTZUZTJFHIGU-GFCCVEGCSA-N 0 0 308.407 0.374 50 0 DCAARN O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCCn2ncnc21 ZINC000065503535 184356034 /nfs/dbraw/zinc/35/60/34/184356034.db2.gz ZLVNELBNUWOCJF-LLVKDONJSA-N 0 0 303.366 0.806 50 0 DCAARN C[C@@H](C(=O)NCCS(=O)(=O)N(C)C)n1cnc2ccccc21 ZINC000067605363 184474513 /nfs/dbraw/zinc/47/45/13/184474513.db2.gz BDMGFVTZYSSKLO-NSHDSACASA-N 0 0 324.406 0.605 50 0 DCAARN C[C@H](C(N)=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000069417551 184513377 /nfs/dbraw/zinc/51/33/77/184513377.db2.gz UHEIQUVKTGHHRE-SNVBAGLBSA-N 0 0 321.406 0.790 50 0 DCAARN C[C@@H](C(=O)NCc1ccco1)N1CCO[C@H](Cn2cccn2)C1 ZINC000069418511 184513583 /nfs/dbraw/zinc/51/35/83/184513583.db2.gz FVURICPGMCLSMQ-ZFWWWQNUSA-N 0 0 318.377 0.882 50 0 DCAARN Cc1ccnc(NC(=O)CN(C)C(=O)c2ccc(=O)n(C)c2)c1 ZINC000069461964 184517510 /nfs/dbraw/zinc/51/75/10/184517510.db2.gz GUYXUTOQRYJXLE-UHFFFAOYSA-N 0 0 314.345 0.799 50 0 DCAARN Cc1noc([C@H](C)N2CCN(CCn3ccccc3=O)CC2)n1 ZINC000069348218 184507980 /nfs/dbraw/zinc/50/79/80/184507980.db2.gz TWFOBUZBPTYBJV-ZDUSSCGKSA-N 0 0 317.393 0.919 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)Nc1cccc(-n2cccc2)c1 ZINC000069367267 184510047 /nfs/dbraw/zinc/51/00/47/184510047.db2.gz NPRXPAQNTYNYBX-UHFFFAOYSA-N 0 0 314.345 0.668 50 0 DCAARN CC[N@@H+]1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000006645466 285254160 /nfs/dbraw/zinc/25/41/60/285254160.db2.gz VFTQFIAOSCQNOF-GUYIQFIESA-N 0 0 306.362 0.337 50 0 DCAARN CC(CO)(CO)NC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000120513324 195181451 /nfs/dbraw/zinc/18/14/51/195181451.db2.gz SQFGZORXURWBHG-UHFFFAOYSA-N 0 0 308.309 0.883 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)C[C@H]2C(=O)Nc3ccccc32)CC1 ZINC000100915641 256566417 /nfs/dbraw/zinc/56/64/17/256566417.db2.gz KLYSZPIUXVRPKJ-GXTWGEPZSA-N 0 0 317.389 0.637 50 0 DCAARN Cc1sc(-n2cnnn2)c(C(=O)NCCn2ccnc2)c1C ZINC000524733797 257213159 /nfs/dbraw/zinc/21/31/59/257213159.db2.gz PWJOSMQAWBOLKB-UHFFFAOYSA-N 0 0 317.378 0.967 50 0 DCAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCO ZINC000524730611 257214118 /nfs/dbraw/zinc/21/41/18/257214118.db2.gz OZTKQEKXAJCTFB-RBOXIYTFSA-N 0 0 304.346 0.595 50 0 biogenic DCAARN Cc1noc(CNC(=O)c2c(C)c(C)sc2-n2cnnn2)n1 ZINC000524732605 257214218 /nfs/dbraw/zinc/21/42/18/257214218.db2.gz DKOZKXWPOKUHSM-UHFFFAOYSA-N 0 0 319.350 0.962 50 0 DCAARN Cc1ccccc1OCC(=O)N1CC(N2C(=O)CNC2=O)C1 ZINC000253471215 257214891 /nfs/dbraw/zinc/21/48/91/257214891.db2.gz BNGADCNPXYAXFI-UHFFFAOYSA-N 0 0 303.318 0.136 50 0 DCAARN CN(C)c1ccc(CC(=O)N2C[C@H]([NH+](C)C)C[C@H]2C(=O)[O-])cc1 ZINC000222886980 257274494 /nfs/dbraw/zinc/27/44/94/257274494.db2.gz LGEGABUJFYPRFG-CABCVRRESA-N 0 0 319.405 0.911 50 0 DCAARN O=C(CN1CCNCC1=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000237876606 257237722 /nfs/dbraw/zinc/23/77/22/257237722.db2.gz IKDSGBLHRMOGOP-AWEZNQCLSA-N 0 0 321.352 0.157 50 0 DCAARN Cc1cccc2ncc(C(=O)N3CCn4cncc4C3)c(=O)n12 ZINC000426728247 257243874 /nfs/dbraw/zinc/24/38/74/257243874.db2.gz IWNCSEQEYNYMDJ-UHFFFAOYSA-N 0 0 309.329 0.855 50 0 DCAARN CCS(=O)(=O)[C@H](C)C(=O)NCCCOc1cccnc1 ZINC000426701357 257244580 /nfs/dbraw/zinc/24/45/80/257244580.db2.gz FDQXMMJZXNQANN-LLVKDONJSA-N 0 0 300.380 0.790 50 0 DCAARN COc1cccc(CCNC(=O)N2CCCNC(=O)C2)c1OC ZINC000426647912 257244942 /nfs/dbraw/zinc/24/49/42/257244942.db2.gz KZRQMAXOPVEPIF-UHFFFAOYSA-N 0 0 321.377 0.778 50 0 DCAARN Cc1nn2cc(CNC(=O)CN3CCN(C)C3=O)nc2s1 ZINC000426635365 257245314 /nfs/dbraw/zinc/24/53/14/257245314.db2.gz LEVXQRSEEIMWGM-UHFFFAOYSA-N 0 0 308.367 0.083 50 0 DCAARN Cc1nc2ccccn2c1CC(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC000426598813 257245829 /nfs/dbraw/zinc/24/58/29/257245829.db2.gz DMWSGDHMMDABJX-STQMWFEESA-N 0 0 303.362 0.244 50 0 DCAARN COc1cccc(OC[C@@H](O)CNC(=O)NC2CCOCC2)c1 ZINC000426521470 257248048 /nfs/dbraw/zinc/24/80/48/257248048.db2.gz PTXWQKUTJKASLF-ZDUSSCGKSA-N 0 0 324.377 0.913 50 0 DCAARN O=C(Cn1ccnn1)N[C@H]1CCCN(Cc2cccnc2)C1 ZINC000426496648 257248397 /nfs/dbraw/zinc/24/83/97/257248397.db2.gz GHKLILOOADGUSR-AWEZNQCLSA-N 0 0 300.366 0.454 50 0 DCAARN Nc1cnc(-c2ccc(C(=O)N[C@@H]3CCCNC3=O)cc2)cn1 ZINC000426424378 257250071 /nfs/dbraw/zinc/25/00/71/257250071.db2.gz QMSVWSHPCHZFBQ-GFCCVEGCSA-N 0 0 311.345 0.734 50 0 DCAARN Cc1ccc(N2C[C@H](NC(=O)CN3CCOC3=O)CC2=O)cc1 ZINC000426388159 257252628 /nfs/dbraw/zinc/25/26/28/257252628.db2.gz MSDZDUCAIZXZDF-GFCCVEGCSA-N 0 0 317.345 0.669 50 0 DCAARN O=C(NCc1nnc2n1CCC2)c1[nH]c(=O)nc2ccccc21 ZINC000426387916 257252748 /nfs/dbraw/zinc/25/27/48/257252748.db2.gz ZJEJSPHUTLUIKU-UHFFFAOYSA-N 0 0 310.317 0.803 50 0 DCAARN C[N@@H+]1C[C@H]2CN(C(=O)Cc3cccc(F)c3F)C[C@@]2(C(=O)[O-])C1 ZINC000426360196 257253211 /nfs/dbraw/zinc/25/32/11/257253211.db2.gz NZIZCOCCRZNJMH-ZBEGNZNMSA-N 0 0 324.327 0.982 50 0 DCAARN O=C([C@@H]1C[C@H]1c1ccco1)N1CCC2(CC1)NC(=O)NC2=O ZINC000071835221 184861670 /nfs/dbraw/zinc/86/16/70/184861670.db2.gz FCINGVJAAVYYHU-NXEZZACHSA-N 0 0 303.318 0.584 50 0 DCAARN CCn1cnnc1CNC(=O)c1cccnc1N1CCOCC1 ZINC000048239568 134750302 /nfs/dbraw/zinc/75/03/02/134750302.db2.gz XITQTVXMMLEKPT-UHFFFAOYSA-N 0 0 316.365 0.460 50 0 DCAARN Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(c3ncccn3)CC2)cn1 ZINC000065523219 134826494 /nfs/dbraw/zinc/82/64/94/134826494.db2.gz KSRFRVWLOYZLSV-KGLIPLIRSA-N 0 0 312.377 0.662 50 0 DCAARN CCOC(=O)CSc1nnc(-c2ccccc2)c(=O)n1N ZINC000008401056 395684549 /nfs/dbraw/zinc/68/45/49/395684549.db2.gz QDZHHCVSKIIPTQ-UHFFFAOYSA-N 0 0 306.347 0.674 50 0 DCAARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1cccnc1 ZINC000008738575 395684866 /nfs/dbraw/zinc/68/48/66/395684866.db2.gz UECOEMIEBPBRLF-UHFFFAOYSA-N 0 0 310.313 0.401 50 0 DCAARN Cc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@H](C)O)C3)cc1 ZINC000008755441 395684937 /nfs/dbraw/zinc/68/49/37/395684937.db2.gz FXSFMYTXKXGGCT-IINYFYTJSA-N 0 0 301.346 0.826 50 0 DCAARN O=C(NCCO)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@@H]13)O2 ZINC000009302624 395685204 /nfs/dbraw/zinc/68/52/04/395685204.db2.gz YJHMFMCJDXYIOD-CFAJVAMVSA-N 0 0 314.341 0.082 50 0 DCAARN Nc1nc(N)nc(CSc2nnnn2-c2ccc(O)cc2)n1 ZINC000009377600 395685311 /nfs/dbraw/zinc/68/53/11/395685311.db2.gz UYVMKNWWPCATFK-UHFFFAOYSA-N 0 0 317.338 0.010 50 0 DCAARN O=C(CNC(=O)c1n[nH]c(=O)c2ccccc21)N1CCCC1 ZINC000009678125 395685390 /nfs/dbraw/zinc/68/53/90/395685390.db2.gz JTEXFICNKGDOMD-UHFFFAOYSA-N 0 0 300.318 0.275 50 0 DCAARN CCOC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000009960755 395685789 /nfs/dbraw/zinc/68/57/89/395685789.db2.gz DOTRBEARRZVYEX-UHFFFAOYSA-N 0 0 323.374 0.910 50 0 DCAARN O=C(NCCCN1CCCC1=O)C(=O)NCc1ccc(F)cc1 ZINC000010326119 395686012 /nfs/dbraw/zinc/68/60/12/395686012.db2.gz FWKOWIGSQAJNNR-UHFFFAOYSA-N 0 0 321.352 0.571 50 0 DCAARN COCCNC(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 ZINC000011098775 395686311 /nfs/dbraw/zinc/68/63/11/395686311.db2.gz GJOPGENRDFNDKV-LBPRGKRZSA-N 0 0 319.361 0.761 50 0 DCAARN CC(=O)Nc1ccc(SCC(=O)NC[C@H]2CCCO2)nn1 ZINC000011027495 395686329 /nfs/dbraw/zinc/68/63/29/395686329.db2.gz ZNSVDDIIKXHZRG-SNVBAGLBSA-N 0 0 310.379 0.822 50 0 DCAARN Nc1cc(N)nc(SCc2cc(=O)n3ccccc3n2)n1 ZINC000011392634 395686409 /nfs/dbraw/zinc/68/64/09/395686409.db2.gz NHHUVLCTYALISL-UHFFFAOYSA-N 0 0 300.347 0.941 50 0 DCAARN CCc1nnc(NC(=O)Cn2cnc3c(cnn3C)c2=O)s1 ZINC000011474275 395686568 /nfs/dbraw/zinc/68/65/68/395686568.db2.gz CFTNDSMWEXEFBR-UHFFFAOYSA-N 0 0 319.350 0.183 50 0 DCAARN CN(C)S(=O)(=O)N[C@H]1CC(=O)N(CC2CCCCC2)C1 ZINC000011816973 395686845 /nfs/dbraw/zinc/68/68/45/395686845.db2.gz YJVOLZAHFGPGSS-LBPRGKRZSA-N 0 0 303.428 0.564 50 0 DCAARN COc1cc(OC)cc(C(=O)NCCn2ncccc2=O)c1 ZINC000011856283 395686882 /nfs/dbraw/zinc/68/68/82/395686882.db2.gz AMUSQNZTMLHUHV-UHFFFAOYSA-N 0 0 303.318 0.691 50 0 DCAARN CC1(C)C(=O)OCCN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000012193315 395687207 /nfs/dbraw/zinc/68/72/07/395687207.db2.gz HXMKFYAUTIFLMS-UHFFFAOYSA-N 0 0 313.331 0.741 50 0 DCAARN Cc1nn(CC(N)=O)c(=O)c2c1cnn2-c1ccc(F)cc1 ZINC000012228227 395687231 /nfs/dbraw/zinc/68/72/31/395687231.db2.gz ZAUWKRCSUMVHRQ-UHFFFAOYSA-N 0 0 301.281 0.515 50 0 DCAARN Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1NCc1ccccn1 ZINC000012226742 395687266 /nfs/dbraw/zinc/68/72/66/395687266.db2.gz IEORWHVGGPNOCW-UHFFFAOYSA-N 0 0 311.345 0.948 50 0 DCAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CCN3c1ccc(O)cc1 ZINC000012422036 395687614 /nfs/dbraw/zinc/68/76/14/395687614.db2.gz JIQSWTJUHBHICU-UHFFFAOYSA-N 0 0 313.317 0.291 50 0 DCAARN Cc1cccc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)c1O ZINC000012620389 395687837 /nfs/dbraw/zinc/68/78/37/395687837.db2.gz BUVGQHIEAJBTHS-UHFFFAOYSA-N 0 0 304.302 0.455 50 0 DCAARN Cc1cccc(Cn2c(NN)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000012559492 395687875 /nfs/dbraw/zinc/68/78/75/395687875.db2.gz YJSUKCVCALRZNJ-UHFFFAOYSA-N 0 0 314.349 0.076 50 0 DCAARN O=C(C[C@H]1CSc2nccc(=O)n21)NCc1cccnc1 ZINC000012666840 395687898 /nfs/dbraw/zinc/68/78/98/395687898.db2.gz CWEWCUZFGHHZBE-NSHDSACASA-N 0 0 302.359 0.992 50 0 DCAARN COC(=O)c1ccc(OCC(=O)N2CCNC2=O)c(OC)c1 ZINC000012772539 395688011 /nfs/dbraw/zinc/68/80/11/395688011.db2.gz NLPHQHLXNGKFLL-UHFFFAOYSA-N 0 0 308.290 0.412 50 0 DCAARN O=C(CCn1cnc2sccc2c1=O)O[C@@H]1CCOC1=O ZINC000012869963 395688162 /nfs/dbraw/zinc/68/81/62/395688162.db2.gz SOSJMSCQVSBUJR-SECBINFHSA-N 0 0 308.315 0.707 50 0 DCAARN C[C@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000014139939 395689186 /nfs/dbraw/zinc/68/91/86/395689186.db2.gz XYRCBOSBJFDGBT-QWRGUYRKSA-N 0 0 320.345 0.781 50 0 DCAARN Cc1cc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)no1 ZINC000014119917 395689191 /nfs/dbraw/zinc/68/91/91/395689191.db2.gz QNOZPADRUZXBFR-UHFFFAOYSA-N 0 0 300.274 0.625 50 0 DCAARN C[C@@H](Sc1nnnn1C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000014245625 395689483 /nfs/dbraw/zinc/68/94/83/395689483.db2.gz RUMDEFRWPFYLPN-ZCFIWIBFSA-N 0 0 319.350 0.499 50 0 DCAARN CN(C)S(=O)(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000014963378 395689759 /nfs/dbraw/zinc/68/97/59/395689759.db2.gz APAQDILNBKCSBD-LLVKDONJSA-N 0 0 303.428 0.706 50 0 DCAARN COc1cc(/C=C/C(=O)N2CCNC(=O)C2)cc(OC)c1OC ZINC000015384944 395690080 /nfs/dbraw/zinc/69/00/80/395690080.db2.gz UEGPFBAXEXOTQV-SNAWJCMRSA-N 0 0 320.345 0.684 50 0 DCAARN CN1CC(=O)N(CN2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000021841771 395691554 /nfs/dbraw/zinc/69/15/54/395691554.db2.gz SDIPIJJFOKTGKH-UHFFFAOYSA-N 0 0 306.341 0.799 50 0 DCAARN Nc1nccnc1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000025291109 395693395 /nfs/dbraw/zinc/69/33/95/395693395.db2.gz QHZDOMMJDMJSBF-UHFFFAOYSA-N 0 0 314.349 0.220 50 0 DCAARN COc1ccc(OC)c(Nc2nc3nonc3n3nnnc23)c1 ZINC000000056245 395679699 /nfs/dbraw/zinc/67/96/99/395679699.db2.gz VBTPTPRRAJIPHP-UHFFFAOYSA-N 0 0 314.265 0.816 50 0 DCAARN O=C(CSc1nnnn1-c1ccccc1O)N1CCOCC1 ZINC000000107937 395679882 /nfs/dbraw/zinc/67/98/82/395679882.db2.gz UVAZMCYIZBDXDX-UHFFFAOYSA-N 0 0 321.362 0.319 50 0 DCAARN CCOC(=O)C1=C(C)NC(=O)[C@@H](C(N)=O)[C@H]1c1ccccc1 ZINC000000185540 395679942 /nfs/dbraw/zinc/67/99/42/395679942.db2.gz RHLQQSZYRRFVJE-QWHCGFSZSA-N 0 0 302.330 0.839 50 0 DCAARN COc1cc(NC(=O)[C@@H]2C=C([O-])NC(=[NH2+])S2)cc(OC)c1 ZINC000000208967 395680091 /nfs/dbraw/zinc/68/00/91/395680091.db2.gz KXAJBMQVUAIEGW-JTQLQIEISA-N 0 0 309.347 0.989 50 0 DCAARN Cc1ccc(Cn2c(N(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000407678 395680302 /nfs/dbraw/zinc/68/03/02/395680302.db2.gz OKVCTWYYVIBQMD-UHFFFAOYSA-N 0 0 313.361 0.846 50 0 DCAARN CS(=O)(=O)N(CC(=O)N1CCOCC1)C1CCCCC1 ZINC000000559223 395680544 /nfs/dbraw/zinc/68/05/44/395680544.db2.gz WRCGWRZYJGPASN-UHFFFAOYSA-N 0 0 304.412 0.440 50 0 DCAARN Cc1c(CCO)c(=O)n(C)n1S(=O)(=O)c1ccc(F)cc1 ZINC000001393708 395680744 /nfs/dbraw/zinc/68/07/44/395680744.db2.gz YEAYDQOZROKWLG-UHFFFAOYSA-N 0 0 314.338 0.406 50 0 DCAARN O=S(=O)(/C=C/c1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000001908959 395681298 /nfs/dbraw/zinc/68/12/98/395681298.db2.gz HJZWFMSWPHKQTD-LZGFCCKTSA-N 0 0 301.389 0.764 50 0 DCAARN CCCCCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000002063428 395681327 /nfs/dbraw/zinc/68/13/27/395681327.db2.gz YUGUKPJKGAGDTM-UHFFFAOYSA-N 0 0 321.381 0.130 50 0 biogenic DCAARN Nc1cc(=O)n2c(n1)SC[C@@H]2CS(=O)(=O)c1ccccc1 ZINC000002362646 395681395 /nfs/dbraw/zinc/68/13/95/395681395.db2.gz CHBBIFUWQWITRJ-SECBINFHSA-N 0 0 323.399 0.946 50 0 DCAARN Cc1cc(NC(=O)COc2ccc(-n3cnnn3)cc2)no1 ZINC000002616331 395681627 /nfs/dbraw/zinc/68/16/27/395681627.db2.gz UROUVILQGUIOTD-UHFFFAOYSA-N 0 0 300.278 0.976 50 0 DCAARN CCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000002616120 395681638 /nfs/dbraw/zinc/68/16/38/395681638.db2.gz ZNPYGCCIQXAPEV-UHFFFAOYSA-N 0 0 312.391 0.847 50 0 DCAARN Cc1c(Br)c(C(=O)NN2CCN(C)CC2)nn1C ZINC000002776881 395681750 /nfs/dbraw/zinc/68/17/50/395681750.db2.gz VBMUSTCQJHUXLZ-UHFFFAOYSA-N 0 0 316.203 0.383 50 0 DCAARN CCOC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000002803799 395681947 /nfs/dbraw/zinc/68/19/47/395681947.db2.gz UXPPIBGFYYYGAH-UHFFFAOYSA-N 0 0 315.395 0.990 50 0 DCAARN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000002803766 395681993 /nfs/dbraw/zinc/68/19/93/395681993.db2.gz YASYYSILFOKRQA-LLVKDONJSA-N 0 0 315.395 0.990 50 0 DCAARN CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nncn2C)C1 ZINC000003237159 395682369 /nfs/dbraw/zinc/68/23/69/395682369.db2.gz OPLCZAUPJQEMNO-SNVBAGLBSA-N 0 0 312.395 0.709 50 0 DCAARN C[C@@H](Sc1nccn1C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000029997149 395701367 /nfs/dbraw/zinc/70/13/67/395701367.db2.gz MZGUWTRXMJUXAJ-NXEZZACHSA-N 0 0 317.436 0.546 50 0 DCAARN COc1cccc(N2CCN(C(=O)[C@@H]3COCCO3)CC2)c1 ZINC000030884146 395704717 /nfs/dbraw/zinc/70/47/17/395704717.db2.gz XRLDKLKNBGGQOI-HNNXBMFYSA-N 0 0 306.362 0.759 50 0 DCAARN COc1ccc(OC)c([C@H](O)CNC(=O)c2nccnc2N)c1 ZINC000031333071 395706434 /nfs/dbraw/zinc/70/64/34/395706434.db2.gz ZMOMPKZDQSVEMN-LLVKDONJSA-N 0 0 318.333 0.539 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)c1ccccc1OCC(N)=O ZINC000031400135 395706683 /nfs/dbraw/zinc/70/66/83/395706683.db2.gz KUCRWMVWHMRLSU-LLVKDONJSA-N 0 0 302.334 0.566 50 0 DCAARN O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(=O)[nH]n1 ZINC000031943267 395708690 /nfs/dbraw/zinc/70/86/90/395708690.db2.gz IYSVFUTZJGYVKT-AWEZNQCLSA-N 0 0 324.406 0.120 50 0 DCAARN CCS(=O)(=O)NCC(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000089274434 395709355 /nfs/dbraw/zinc/70/93/55/395709355.db2.gz HNTZNIZPHWNBON-UHFFFAOYSA-N 0 0 302.400 0.876 50 0 DCAARN CN1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)nc2)CC1=O ZINC000032296078 395710268 /nfs/dbraw/zinc/71/02/68/395710268.db2.gz HBRJBYSAAGYQJB-ZDUSSCGKSA-N 0 0 318.377 0.013 50 0 DCAARN C[C@@H]1C[C@H]1CNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000032383544 395710718 /nfs/dbraw/zinc/71/07/18/395710718.db2.gz BUNRFIDJSJSPNW-MNOVXSKESA-N 0 0 301.346 0.852 50 0 DCAARN CCNC(=O)CSc1nnc([C@H]2CCS(=O)(=O)C2)o1 ZINC000032777743 395713339 /nfs/dbraw/zinc/71/33/39/395713339.db2.gz RGHQUKMGGXKBHL-ZETCQYMHSA-N 0 0 305.381 0.200 50 0 DCAARN Cc1ccccc1CN1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000089689356 395714053 /nfs/dbraw/zinc/71/40/53/395714053.db2.gz IKQOZDQCEXODOO-CQSZACIVSA-N 0 0 302.378 0.321 50 0 DCAARN Cc1ccc(C)c(OCC(=O)NC2CCN(CC(N)=O)CC2)c1 ZINC000032908382 395714137 /nfs/dbraw/zinc/71/41/37/395714137.db2.gz FXPPCSHIJMVUOQ-UHFFFAOYSA-N 0 0 319.405 0.748 50 0 DCAARN CN1N=C(C(=O)NCCc2ccc3c(c2)OCCO3)CCC1=O ZINC000032836538 395714212 /nfs/dbraw/zinc/71/42/12/395714212.db2.gz ZELLBLBCTGVEJA-UHFFFAOYSA-N 0 0 317.345 0.725 50 0 DCAARN CONC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000036728690 395724305 /nfs/dbraw/zinc/72/43/05/395724305.db2.gz DLWVKCRBAMNBQX-SNVBAGLBSA-N 0 0 317.367 0.370 50 0 DCAARN O=C(NCc1cccnc1N1CCCCC1)[C@H]1CNC(=O)N1 ZINC000089773259 395714941 /nfs/dbraw/zinc/71/49/41/395714941.db2.gz LWVLHKKMEMYJFB-GFCCVEGCSA-N 0 0 303.366 0.370 50 0 DCAARN O=C(NCc1cc[nH]n1)N1CCN(Cc2cccnc2)CC1 ZINC000089794013 395715386 /nfs/dbraw/zinc/71/53/86/395715386.db2.gz XSZQXTVXWPHNAE-UHFFFAOYSA-N 0 0 300.366 0.832 50 0 DCAARN C[C@H](NC(=O)[C@H]1CNC(=O)N1)c1nc(-c2ccc(F)cc2)no1 ZINC000089913666 395716291 /nfs/dbraw/zinc/71/62/91/395716291.db2.gz UAMFINACYAIVGI-OIBJUYFYSA-N 0 0 319.296 0.734 50 0 DCAARN C[C@H](C(=O)N(C)[C@@H](C)CS(C)(=O)=O)N1CCSCC1 ZINC000089904086 395716505 /nfs/dbraw/zinc/71/65/05/395716505.db2.gz VOFUAXTYZQSRBV-WDEREUQCSA-N 0 0 308.469 0.315 50 0 DCAARN C[C@@H]1CN=C(N2CCN(CC(=O)NCC(F)(F)F)CC2)S1 ZINC000089941282 395716977 /nfs/dbraw/zinc/71/69/77/395716977.db2.gz WZVVTUHUWDEEHD-SECBINFHSA-N 0 0 324.372 0.774 50 0 DCAARN C[C@@H](CNC(=O)NCCCn1cncn1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000089930289 395717373 /nfs/dbraw/zinc/71/73/73/395717373.db2.gz AAAGFCYPKRKQSP-MELADBBJSA-N 0 0 324.429 0.465 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)c2ccc3nncn3c2)CC1 ZINC000089943351 395717836 /nfs/dbraw/zinc/71/78/36/395717836.db2.gz DTQFZRNQJAZBLD-CYBMUJFWSA-N 0 0 303.366 0.258 50 0 DCAARN CC(C)(C)NC(=O)NC(=O)CN1CCN(c2ncccn2)CC1 ZINC000034872130 395717987 /nfs/dbraw/zinc/71/79/87/395717987.db2.gz GNLVXSMTBAVGDH-UHFFFAOYSA-N 0 0 320.397 0.223 50 0 DCAARN O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000035222618 395719850 /nfs/dbraw/zinc/71/98/50/395719850.db2.gz PMBKDOYEQKEGEB-SNVBAGLBSA-N 0 0 307.375 0.656 50 0 DCAARN COc1cccc(N2CCN(CC(=O)N3CCNC3=O)CC2)c1 ZINC000035300790 395720266 /nfs/dbraw/zinc/72/02/66/395720266.db2.gz MYTVEEXLSIFOQQ-UHFFFAOYSA-N 0 0 318.377 0.369 50 0 DCAARN O=C1C[C@H](N[C@@H]2CCS(=O)(=O)C2)C(=O)N1c1ccccc1 ZINC000036853106 395724602 /nfs/dbraw/zinc/72/46/02/395724602.db2.gz WBHBBEUMIDCPBF-PWSUYJOCSA-N 0 0 308.359 0.095 50 0 DCAARN Cn1cc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000035670689 395721287 /nfs/dbraw/zinc/72/12/87/395721287.db2.gz BWPZGJIEZYYUMZ-UHFFFAOYSA-N 0 0 322.390 0.317 50 0 DCAARN Cc1noc2nc(C3CC3)cc(C(=O)N3CCNC(=O)C3)c12 ZINC000035686482 395721315 /nfs/dbraw/zinc/72/13/15/395721315.db2.gz YFGSSPYXZKMCMM-UHFFFAOYSA-N 0 0 300.318 0.981 50 0 DCAARN C[C@H](NC(=O)N1CCN(c2cnccn2)CC1)[C@@H]1CCCO1 ZINC000026397985 395694253 /nfs/dbraw/zinc/69/42/53/395694253.db2.gz AAGAWQJZNCNENB-STQMWFEESA-N 0 0 305.382 0.876 50 0 DCAARN O=C(CN1CCSC1=O)Nc1ccc(-n2cncn2)nc1 ZINC000028088921 395695755 /nfs/dbraw/zinc/69/57/55/395695755.db2.gz FHDJKGCJLZCMCT-UHFFFAOYSA-N 0 0 304.335 0.770 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000028327780 395695977 /nfs/dbraw/zinc/69/59/77/395695977.db2.gz LZMYRHLJZDRNBW-GWCFXTLKSA-N 0 0 312.391 0.892 50 0 DCAARN CCC(=O)Nc1cccc(NC(=O)Cn2ccc(=O)[nH]c2=O)c1 ZINC000029075646 395696603 /nfs/dbraw/zinc/69/66/03/395696603.db2.gz AQAQCQLVFVXTGR-UHFFFAOYSA-N 0 0 316.317 0.524 50 0 DCAARN Cc1noc(C)c1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000029192784 395697106 /nfs/dbraw/zinc/69/71/06/395697106.db2.gz ADCVAOKVENAPMA-SNVBAGLBSA-N 0 0 301.368 0.445 50 0 DCAARN O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCN(c2nccs2)CC1 ZINC000029600638 395698588 /nfs/dbraw/zinc/69/85/88/395698588.db2.gz 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KJTZUCOHEDFJFQ-UHFFFAOYSA-N 0 0 308.367 0.593 50 0 DCAARN Cn1nccc1C(=O)NCCC(=O)NCCc1ccccc1 ZINC000096192401 395748484 /nfs/dbraw/zinc/74/84/84/395748484.db2.gz TYPDOBGCMDXFQE-UHFFFAOYSA-N 0 0 300.362 0.899 50 0 DCAARN O=C(c1ccncc1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000096005422 395741115 /nfs/dbraw/zinc/74/11/15/395741115.db2.gz FCTAZSHTQZIVEZ-UHFFFAOYSA-N 0 0 309.391 0.768 50 0 DCAARN Cn1cnnc1S(=O)(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000096104176 395744256 /nfs/dbraw/zinc/74/42/56/395744256.db2.gz XRFGDKXGFFGIPT-UHFFFAOYSA-N 0 0 324.362 0.487 50 0 DCAARN CO[C@@H](CNC(=O)CN1C(=O)CCC1=O)c1ccccc1C ZINC000096104943 395744329 /nfs/dbraw/zinc/74/43/29/395744329.db2.gz ZLNXOGUCVRPYAH-ZDUSSCGKSA-N 0 0 304.346 0.948 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 ZINC000096098319 395744442 /nfs/dbraw/zinc/74/44/42/395744442.db2.gz GNQIPRBWBTZFHL-NSHDSACASA-N 0 0 303.405 0.884 50 0 DCAARN O=C(Cn1cncn1)N1CC(S(=O)(=O)C2CCCCC2)C1 ZINC000096121929 395745626 /nfs/dbraw/zinc/74/56/26/395745626.db2.gz ONPGTOSSKHLSJM-UHFFFAOYSA-N 0 0 312.395 0.236 50 0 DCAARN O=C(Cn1ncc2ccccc2c1=O)N1CCc2[nH]cnc2C1 ZINC000096140866 395746094 /nfs/dbraw/zinc/74/60/94/395746094.db2.gz BKVHYVBSVIFJCL-UHFFFAOYSA-N 0 0 309.329 0.705 50 0 DCAARN Cc1nc(C)c(Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000096424822 395753123 /nfs/dbraw/zinc/75/31/23/395753123.db2.gz QGRHPNRGPVCPLH-UHFFFAOYSA-N 0 0 305.363 0.555 50 0 DCAARN CC1(C)CN(S(=O)(=O)c2cncc(F)c2)CC[S@@]1=O ZINC000096475487 395753929 /nfs/dbraw/zinc/75/39/29/395753929.db2.gz VIDFCJSBYCNFAQ-GOSISDBHSA-N 0 0 306.384 0.752 50 0 DCAARN Cc1c(CNc2cnn(CCN3CCOCC3)c2)cnn1C ZINC000096493829 395754283 /nfs/dbraw/zinc/75/42/83/395754283.db2.gz TXRPZRQICGNKBR-UHFFFAOYSA-N 0 0 304.398 0.869 50 0 DCAARN COCC[C@@H](NC(=O)c1csc(-c2ccccn2)n1)C(N)=O ZINC000097034110 395755089 /nfs/dbraw/zinc/75/50/89/395755089.db2.gz BJQOJEOWIVYNCL-SECBINFHSA-N 0 0 320.374 0.825 50 0 DCAARN CCNS(=O)(=O)[C@H]1CCN(Cc2cn(C)nc2CC)C1 ZINC000097235532 395756503 /nfs/dbraw/zinc/75/65/03/395756503.db2.gz 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SRBDQOIKRGLWKZ-UHFFFAOYSA-N 0 0 318.377 0.960 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000044908473 395759859 /nfs/dbraw/zinc/75/98/59/395759859.db2.gz GFOYOJWYLDAVQS-UHFFFAOYSA-N 0 0 313.354 0.976 50 0 DCAARN CC(=O)N1CCN(c2noc(-c3ccccc3)n2)C[C@H](O)C1 ZINC000097743073 395760529 /nfs/dbraw/zinc/76/05/29/395760529.db2.gz HWNPTENXSKVDJI-CYBMUJFWSA-N 0 0 302.334 0.766 50 0 DCAARN CCS(=O)(=O)CCNC(=O)c1ccccc1-c1nc[nH]n1 ZINC000097805791 395760989 /nfs/dbraw/zinc/76/09/89/395760989.db2.gz QJXXSKRJIGPOEL-UHFFFAOYSA-N 0 0 308.363 0.636 50 0 DCAARN Cc1[nH]c(=O)c(C(=O)N2CCN(C(=O)N(C)C)CC2)c(C)c1C ZINC000097822955 395761049 /nfs/dbraw/zinc/76/10/49/395761049.db2.gz VUEUHAYZTNGOCW-UHFFFAOYSA-N 0 0 320.393 0.740 50 0 DCAARN CCCOCCN1CCN(C(=O)c2cc(=O)c(OC)c[nH]2)CC1 ZINC000097813776 395761125 /nfs/dbraw/zinc/76/11/25/395761125.db2.gz VMNASBJIVSHCQH-UHFFFAOYSA-N 0 0 323.393 0.568 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)NCc1ccc(-n2ccnc2)cc1 ZINC000097990087 395761505 /nfs/dbraw/zinc/76/15/05/395761505.db2.gz RGBDDWMVCYXGLK-GFCCVEGCSA-N 0 0 313.317 0.087 50 0 DCAARN COc1ccc(CNC(=O)Cn2nc3n(c2=O)CCCC3)cc1 ZINC000098211245 395762266 /nfs/dbraw/zinc/76/22/66/395762266.db2.gz LBJZQXWOUGLEQY-UHFFFAOYSA-N 0 0 316.361 0.706 50 0 DCAARN COC(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000045905240 395768086 /nfs/dbraw/zinc/76/80/86/395768086.db2.gz MWNZAQOJNHLMFA-NSHDSACASA-N 0 0 319.361 0.498 50 0 DCAARN CN1C[C@@H](C(=O)N2CCN(Cc3ccncc3)CC2)CC1=O ZINC000046162747 395771319 /nfs/dbraw/zinc/77/13/19/395771319.db2.gz GLXNNZBVIFMIOG-AWEZNQCLSA-N 0 0 302.378 0.204 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)c2cn3ccccc3n2)CC1 ZINC000046448536 395776953 /nfs/dbraw/zinc/77/69/53/395776953.db2.gz KAIXIBWGJZMNHJ-UHFFFAOYSA-N 0 0 315.377 0.275 50 0 DCAARN CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC)nc2)CC1 ZINC000048018427 395806203 /nfs/dbraw/zinc/80/62/03/395806203.db2.gz GUWSEQJIWBSIHQ-UHFFFAOYSA-N 0 0 321.381 0.376 50 0 DCAARN Cn1cnnc1[C@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 ZINC000048285692 395812269 /nfs/dbraw/zinc/81/22/69/395812269.db2.gz AZLZBHUWUNRERG-ZDUSSCGKSA-N 0 0 319.409 0.924 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCN(c2ncnc3n[nH]cc32)C1 ZINC000048325411 395813278 /nfs/dbraw/zinc/81/32/78/395813278.db2.gz WSTQTLBUUGXZMR-SECBINFHSA-N 0 0 310.383 0.119 50 0 DCAARN Cn1cc(S(=O)(=O)NCc2noc(C(F)(F)F)n2)cn1 ZINC000225389933 395858864 /nfs/dbraw/zinc/85/88/64/395858864.db2.gz VTSSYJPCSKHPKN-UHFFFAOYSA-N 0 0 311.245 0.300 50 0 DCAARN CC[C@@H](C)[C@H](C)NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000195093261 395816267 /nfs/dbraw/zinc/81/62/67/395816267.db2.gz UZJXFLXOGFQUNP-BDAKNGLRSA-N 0 0 321.381 0.433 50 0 DCAARN COc1nccnc1O[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC000225387989 395859003 /nfs/dbraw/zinc/85/90/03/395859003.db2.gz KRABEKAOIUBAAU-JTQLQIEISA-N 0 0 301.306 0.569 50 0 DCAARN CC(C)N(C)C(=O)CSCCN1C(=O)NC(C)(C)C1=O ZINC000048675487 395822307 /nfs/dbraw/zinc/82/23/07/395822307.db2.gz OUFDGEAXZQUMQP-UHFFFAOYSA-N 0 0 301.412 0.917 50 0 DCAARN O=C1[C@H](Nc2ncncc2Br)CCCN1CCO ZINC000195566602 395831918 /nfs/dbraw/zinc/83/19/18/395831918.db2.gz BXIKQUYVRNBIQE-SECBINFHSA-N 0 0 315.171 0.634 50 0 DCAARN CCCOCC(=O)N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 ZINC000225417283 395859717 /nfs/dbraw/zinc/85/97/17/395859717.db2.gz RHCSPOZKOJTYTH-GFCCVEGCSA-N 0 0 308.382 0.833 50 0 DCAARN COc1ccc(O[C@@H]2CCN(C(=O)c3snnc3C)C2)nn1 ZINC000225435722 395860039 /nfs/dbraw/zinc/86/00/39/395860039.db2.gz BIWGPEYVKZRGDN-SECBINFHSA-N 0 0 321.362 0.939 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)c2cccc(NC(=O)C3CC3)c2)CCO1 ZINC000050857880 395842396 /nfs/dbraw/zinc/84/23/96/395842396.db2.gz VZASDTGSFVUFEO-ZDUSSCGKSA-N 0 0 317.345 0.361 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)cc1Cl ZINC000218906127 395844001 /nfs/dbraw/zinc/84/40/01/395844001.db2.gz VTAZWMURIVOTIK-GHMZBOCLSA-N 0 0 321.782 0.777 50 0 DCAARN O=C(CN1CCOC1=O)N1CCC([C@H](O)c2ccccn2)CC1 ZINC000219475744 395845437 /nfs/dbraw/zinc/84/54/37/395845437.db2.gz VANJMDMEMSCZNI-HNNXBMFYSA-N 0 0 319.361 0.806 50 0 DCAARN Cc1cccc2[nH]c(COCC(=O)N[C@@H]3CCOC[C@H]3O)nc21 ZINC000219614435 395846147 /nfs/dbraw/zinc/84/61/47/395846147.db2.gz WHLXVXWRGOWLNO-DGCLKSJQSA-N 0 0 319.361 0.654 50 0 DCAARN O=C(Cn1ccccc1=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 ZINC000220190233 395847953 /nfs/dbraw/zinc/84/79/53/395847953.db2.gz SHGXSUZBSQCSLC-HUUCEWRRSA-N 0 0 320.389 0.939 50 0 DCAARN Cc1ccc(O[C@@H]2CCCN(C(=O)N3CCN(C)CC3)C2)nn1 ZINC000225466016 395860819 /nfs/dbraw/zinc/86/08/19/395860819.db2.gz AVJWJIVRNDRQPF-CQSZACIVSA-N 0 0 319.409 0.996 50 0 DCAARN CN(C)c1ccc(O[C@@H]2CCN(S(=O)(=O)C3CC3)C2)nn1 ZINC000225450355 395860886 /nfs/dbraw/zinc/86/08/86/395860886.db2.gz QGVFARNBWTYVIO-SNVBAGLBSA-N 0 0 312.395 0.488 50 0 DCAARN CSc1ncc(C(=O)NCCSc2nncn2C)cn1 ZINC000221220356 395850345 /nfs/dbraw/zinc/85/03/45/395850345.db2.gz HSASTMAWURPIFA-UHFFFAOYSA-N 0 0 310.408 0.849 50 0 DCAARN CC(C)c1nccn1CCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000221453827 395851344 /nfs/dbraw/zinc/85/13/44/395851344.db2.gz YCLIJJDEJFKMLG-JTQLQIEISA-N 0 0 307.354 0.111 50 0 DCAARN Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)CCc2cnccn2)C1 ZINC000222524709 395852546 /nfs/dbraw/zinc/85/25/46/395852546.db2.gz LZEBAHKSMGTLKE-UMSPYCQHSA-N 0 0 316.365 0.092 50 0 DCAARN CCN1CCN(C(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)[C@H](C)C1=O ZINC000222398468 395852608 /nfs/dbraw/zinc/85/26/08/395852608.db2.gz QOOJZHGFYXQNMJ-SNVBAGLBSA-N 0 0 320.393 0.760 50 0 DCAARN CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1n[nH]nc1C)C2 ZINC000222561133 395852812 /nfs/dbraw/zinc/85/28/12/395852812.db2.gz WETDJPHZOMSTFJ-GFCCVEGCSA-N 0 0 304.354 0.799 50 0 DCAARN CCc1nnc(CNC(=O)C[C@H]2C=CS(=O)(=O)C2)s1 ZINC000223053538 395853321 /nfs/dbraw/zinc/85/33/21/395853321.db2.gz MGTUGVNAFBDAIF-MRVPVSSYSA-N 0 0 301.393 0.665 50 0 DCAARN O=C(CCn1cncn1)N[C@@H]1CCOC[C@H]1OCC1CCC1 ZINC000223344324 395854752 /nfs/dbraw/zinc/85/47/52/395854752.db2.gz GZNCSAXDQYYINU-ZIAGYGMSSA-N 0 0 308.382 0.759 50 0 DCAARN O=C(Cc1c[nH]cn1)N[C@@H]1CCOC[C@H]1OCc1ccccn1 ZINC000223460538 395854958 /nfs/dbraw/zinc/85/49/58/395854958.db2.gz IDRSVWDRWHARJM-HUUCEWRRSA-N 0 0 316.361 0.838 50 0 DCAARN NC(=O)NCC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 ZINC000223657166 395855532 /nfs/dbraw/zinc/85/55/32/395855532.db2.gz MRNSVBSQPGTESG-CHWSQXEVSA-N 0 0 307.350 0.145 50 0 DCAARN Cn1cc([C@@H](NC(=O)C(=O)c2cccnc2)C2CC(O)C2)cn1 ZINC000223772467 395856666 /nfs/dbraw/zinc/85/66/66/395856666.db2.gz CGBXTNIJZICMPZ-UBHUBRDASA-N 0 0 314.345 0.626 50 0 DCAARN Nc1n[nH]c(CNC(=O)c2cc(=O)[nH]c3ccc(F)cc32)n1 ZINC000223704501 395856818 /nfs/dbraw/zinc/85/68/18/395856818.db2.gz RSEJVKTVDWYYML-UHFFFAOYSA-N 0 0 302.269 0.298 50 0 DCAARN CN(Cc1cc(C2CC2)on1)C(=O)Cc1c[nH]c(=O)n(C)c1=O ZINC000223865834 395857388 /nfs/dbraw/zinc/85/73/88/395857388.db2.gz AQDGVIRXVCMIQF-UHFFFAOYSA-N 0 0 318.333 0.140 50 0 DCAARN COc1cccc(CC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NC(C)=O)c1 ZINC000223939955 395857455 /nfs/dbraw/zinc/85/74/55/395857455.db2.gz CGJVJNWMDGJNLZ-XLNGHYISSA-N 0 0 318.373 0.646 50 0 DCAARN O=C(CS[C@@H]1CCS(=O)(=O)C1)NCCCn1cccn1 ZINC000047663672 395799092 /nfs/dbraw/zinc/79/90/92/395799092.db2.gz ISRGPMKFIQLFEK-LLVKDONJSA-N 0 0 317.436 0.310 50 0 DCAARN O=C(CCCn1cncn1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000054017060 395892248 /nfs/dbraw/zinc/89/22/48/395892248.db2.gz LAVXVLKYGDDURM-CYBMUJFWSA-N 0 0 315.381 0.634 50 0 DCAARN COCCN1CCN(CC(=O)N(C)Cc2ccsc2)CC1 ZINC000054188047 395895428 /nfs/dbraw/zinc/89/54/28/395895428.db2.gz ZOVRHRRJNKUVCT-UHFFFAOYSA-N 0 0 311.451 0.971 50 0 DCAARN O=C(CCCn1cncn1)N[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000054548091 395902734 /nfs/dbraw/zinc/90/27/34/395902734.db2.gz IBZQEMCBWOVQLY-GFCCVEGCSA-N 0 0 301.350 0.940 50 0 DCAARN C[C@@H](C(=O)NCc1ncc[nH]1)N(c1ccccc1)S(C)(=O)=O ZINC000055132078 395912207 /nfs/dbraw/zinc/91/22/07/395912207.db2.gz FXTJDGBKPMTECN-NSHDSACASA-N 0 0 322.390 0.881 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CSc1nnc(C)s1 ZINC000055154707 395912234 /nfs/dbraw/zinc/91/22/34/395912234.db2.gz UEPVEVXITUXLHA-SFYZADRCSA-N 0 0 317.392 0.073 50 0 DCAARN CC(C)CN(Cc1ccccn1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000055270341 395915400 /nfs/dbraw/zinc/91/54/00/395915400.db2.gz FFVRMHCCBCITBL-LBPRGKRZSA-N 0 0 304.350 0.664 50 0 DCAARN COc1cccc(F)c1C(=O)N1CCN2CCN(C)C[C@@H]2C1 ZINC000244866490 395926265 /nfs/dbraw/zinc/92/62/65/395926265.db2.gz VXAUDONBCWOLQJ-GFCCVEGCSA-N 0 0 307.369 0.906 50 0 DCAARN NC(=O)NC(=O)COC(=O)c1cccn1Cc1cccs1 ZINC000052324108 395862781 /nfs/dbraw/zinc/86/27/81/395862781.db2.gz ADAQIJLXOSWUMS-UHFFFAOYSA-N 0 0 307.331 0.950 50 0 DCAARN Cc1nnc2c(N3CCN(C(=O)c4ccoc4)CC3)nccn12 ZINC000225799715 395863724 /nfs/dbraw/zinc/86/37/24/395863724.db2.gz NDYSJKWFGPCHES-UHFFFAOYSA-N 0 0 312.333 0.988 50 0 DCAARN Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)NCC(N)=O ZINC000226851486 395867172 /nfs/dbraw/zinc/86/71/72/395867172.db2.gz WXCYSRGNMLNJST-LLVKDONJSA-N 0 0 302.334 0.550 50 0 DCAARN Cc1nnc(CN2CCN(c3ncccc3C(N)=O)CC2)s1 ZINC000271487430 395868174 /nfs/dbraw/zinc/86/81/74/395868174.db2.gz ZBEGITVGNCSCTB-UHFFFAOYSA-N 0 0 318.406 0.663 50 0 DCAARN CCNC(=O)NC(=O)CN1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000229962906 395876692 /nfs/dbraw/zinc/87/66/92/395876692.db2.gz ZMXXBDUHWVIVFQ-WCQYABFASA-N 0 0 323.397 0.011 50 0 DCAARN Cc1c2cc(F)ccc2sc1C(=O)NC(C(N)=O)C(N)=O ZINC000053301666 395879745 /nfs/dbraw/zinc/87/97/45/395879745.db2.gz BNNHMHCIZBWUPC-UHFFFAOYSA-N 0 0 309.322 0.418 50 0 DCAARN NC(=O)c1csc(C(=O)N[C@@H](C(N)=O)c2ccccc2)c1 ZINC000053266337 395880018 /nfs/dbraw/zinc/88/00/18/395880018.db2.gz SSGCYMRBCVYXPC-LLVKDONJSA-N 0 0 303.343 0.803 50 0 DCAARN COCCNC(=O)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000053506352 395885046 /nfs/dbraw/zinc/88/50/46/395885046.db2.gz GXDKKWCTGADZSA-UHFFFAOYSA-N 0 0 317.393 0.808 50 0 DCAARN O=S(=O)(NCC(F)(F)CO)c1ccc2c(c1)OCCCO2 ZINC000231780587 395885478 /nfs/dbraw/zinc/88/54/78/395885478.db2.gz OKDOSQITRKXTFU-UHFFFAOYSA-N 0 0 323.317 0.754 50 0 DCAARN O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)NC1CC1 ZINC000056997760 395937106 /nfs/dbraw/zinc/93/71/06/395937106.db2.gz RZLYUDIKPBETPO-UHFFFAOYSA-N 0 0 316.405 0.203 50 0 DCAARN CCCNC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000056997714 395937130 /nfs/dbraw/zinc/93/71/30/395937130.db2.gz JAFGLYUZCFGQIZ-UHFFFAOYSA-N 0 0 318.421 0.451 50 0 DCAARN OC[C@@H]1O[C@H](Nc2ccc(Br)cc2)[C@H](O)[C@H]1O ZINC000247895108 395979692 /nfs/dbraw/zinc/97/96/92/395979692.db2.gz ZRQCFZMEABNUFB-MMWGEVLESA-N 0 0 304.140 0.300 50 0 DCAARN COc1ccc(C(=O)N2CCn3c(C)nnc3C2)c(OC)n1 ZINC000065288988 395992141 /nfs/dbraw/zinc/99/21/41/395992141.db2.gz BXTHGRLGHKHXGB-UHFFFAOYSA-N 0 0 303.322 0.655 50 0 DCAARN CNC(=O)[C@@H]1CCN(c2ncc(F)c(N3CCOCC3)n2)C1 ZINC000065398809 395993229 /nfs/dbraw/zinc/99/32/29/395993229.db2.gz ICOZXOWQRCJTTD-SNVBAGLBSA-N 0 0 309.345 0.025 50 0 DCAARN COc1cc(NC2CCN(c3cc(=O)nc(N)[nH]3)CC2)ncn1 ZINC000065398577 395993289 /nfs/dbraw/zinc/99/32/89/395993289.db2.gz DGLSPUXXRMFWSX-UHFFFAOYSA-N 0 0 317.353 0.232 50 0 DCAARN CNC(=O)[C@@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000065362991 395993505 /nfs/dbraw/zinc/99/35/05/395993505.db2.gz JOZDLZRRXLRUMK-SECBINFHSA-N 0 0 316.379 0.604 50 0 DCAARN C[C@@H](OC(=O)c1cc(F)c(F)cc1N)C(=O)N1CCOCC1 ZINC000065668218 395995987 /nfs/dbraw/zinc/99/59/87/395995987.db2.gz TWFVACDHDUVVJR-MRVPVSSYSA-N 0 0 314.288 0.951 50 0 DCAARN Cc1nc2[nH]cnn2c(=O)c1CCC(=O)N[C@H](CO)C(C)C ZINC000252536729 396022510 /nfs/dbraw/zinc/02/25/10/396022510.db2.gz JIDJXKURMAIJHE-LLVKDONJSA-N 0 0 307.354 0.204 50 0 DCAARN Cc1ncccc1C(=O)N1CC[C@@H]2CN(S(C)(=O)=O)[C@@H]2C1 ZINC000253400966 396026953 /nfs/dbraw/zinc/02/69/53/396026953.db2.gz FHAKVEOMVNBWFV-DGCLKSJQSA-N 0 0 309.391 0.496 50 0 DCAARN O=c1[nH]nc2n1CCN(S(=O)(=O)c1cc(F)ccc1F)C2 ZINC000253415209 396027752 /nfs/dbraw/zinc/02/77/52/396027752.db2.gz ZZRBEWGWIYDVAH-UHFFFAOYSA-N 0 0 316.289 0.054 50 0 DCAARN Cn1nc2n(c1=O)CCN(C(=O)c1ccc3[nH]ccc3c1)CC2 ZINC000253414236 396028089 /nfs/dbraw/zinc/02/80/89/396028089.db2.gz WWFICSPQFUZQRN-UHFFFAOYSA-N 0 0 311.345 0.762 50 0 DCAARN O=C(Cc1cnc[nH]c1=O)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000253535262 396029598 /nfs/dbraw/zinc/02/95/98/396029598.db2.gz JMAJIQKUKPVGEZ-NVBFEUDRSA-N 0 0 314.345 0.748 50 0 DCAARN O=S(=O)(c1cccnc1)N1CCn2nc3c(c2C1)CCC3 ZINC000253472529 396029816 /nfs/dbraw/zinc/02/98/16/396029816.db2.gz MYGAVPYFJUIRJL-UHFFFAOYSA-N 0 0 304.375 0.971 50 0 DCAARN Cc1nn(C)c(N2CCOCC2)c1[C@H]1NCCc2nc[nH]c21 ZINC000067642520 396029851 /nfs/dbraw/zinc/02/98/51/396029851.db2.gz UWLXFZSMCCOEHS-CQSZACIVSA-N 0 0 302.382 0.523 50 0 DCAARN CN(CCC(C)(C)O)C(=O)c1cc(CN2CCOCC2)on1 ZINC000067803194 396033859 /nfs/dbraw/zinc/03/38/59/396033859.db2.gz WEVOPTWSDSEWFB-UHFFFAOYSA-N 0 0 311.382 0.740 50 0 DCAARN O=C(N[C@@H]1CN(Cc2ccco2)C[C@H]1CO)c1cnccn1 ZINC000257188904 396035079 /nfs/dbraw/zinc/03/50/79/396035079.db2.gz NEIWKNLIYXRRLW-SMDDNHRTSA-N 0 0 302.334 0.292 50 0 DCAARN CN(C[C@@H]1CCCO1)C(=O)c1cc(CN2CCOCC2)on1 ZINC000067843199 396036352 /nfs/dbraw/zinc/03/63/52/396036352.db2.gz JONGFRHMMKZGON-LBPRGKRZSA-N 0 0 309.366 0.758 50 0 DCAARN Cc1cc(C)cc(N2CCN(C(=O)CS(C)(=O)=O)CC2=O)c1 ZINC000067893989 396037943 /nfs/dbraw/zinc/03/79/43/396037943.db2.gz ZVPOBEANCFTYCZ-UHFFFAOYSA-N 0 0 324.402 0.523 50 0 DCAARN COC(=O)c1cn(CC(=O)Nc2cccc(C(C)=O)c2)nn1 ZINC000068919638 396065982 /nfs/dbraw/zinc/06/59/82/396065982.db2.gz PWMZTVMGWHFMIK-UHFFFAOYSA-N 0 0 302.290 0.906 50 0 DCAARN COC(=O)[C@]1(C)CN(C(=O)N[C@@H]2CC[S@](=O)C2)C[C@H]1C ZINC000252488105 396020704 /nfs/dbraw/zinc/02/07/04/396020704.db2.gz IJMNFZZCBJMWCF-WJEFBRJRSA-N 0 0 302.396 0.348 50 0 DCAARN CC(=O)Nc1cc(C(=O)N[C@@H](C)c2nnnn2C)ccc1C ZINC000252491474 396020887 /nfs/dbraw/zinc/02/08/87/396020887.db2.gz LNDHYRASPJWFSJ-VIFPVBQESA-N 0 0 302.338 0.968 50 0 DCAARN CCc1ccnc(CNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC000252491875 396020935 /nfs/dbraw/zinc/02/09/35/396020935.db2.gz LXZDFGVHLOBJQL-CYBMUJFWSA-N 0 0 311.407 0.973 50 0 DCAARN COC(=O)Cc1cccc(NC(=O)N2CCC[C@H](C(N)=O)C2)n1 ZINC000252499262 396021678 /nfs/dbraw/zinc/02/16/78/396021678.db2.gz RYAVMAXZMGAGDC-JTQLQIEISA-N 0 0 320.349 0.526 50 0 DCAARN CCOc1ncccc1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC000252503253 396021728 /nfs/dbraw/zinc/02/17/28/396021728.db2.gz VAACEKXHMVXLEQ-UHFFFAOYSA-N 0 0 313.317 0.975 50 0 DCAARN O=C(CCn1cncn1)NCc1ccnc(O[C@@H]2CCOC2)c1 ZINC000163173545 396086023 /nfs/dbraw/zinc/08/60/23/396086023.db2.gz DZNZVSCQSGHMSM-CYBMUJFWSA-N 0 0 317.349 0.547 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCCNS(C)(=O)=O)c(F)c1 ZINC000069705567 396087991 /nfs/dbraw/zinc/08/79/91/396087991.db2.gz CMPZEFNRFAOZOM-UHFFFAOYSA-N 0 0 324.399 0.352 50 0 DCAARN COCCc1noc(CN[C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000069740523 396088531 /nfs/dbraw/zinc/08/85/31/396088531.db2.gz JAOPJYCLBDDRGC-GFCCVEGCSA-N 0 0 318.381 0.807 50 0 DCAARN CCNC(=O)N1CC[C@H](Oc2ncccc2C(=O)N(C)C)C1 ZINC000169756096 396091079 /nfs/dbraw/zinc/09/10/79/396091079.db2.gz OPVJTAFOFPKFEU-NSHDSACASA-N 0 0 306.366 0.966 50 0 DCAARN Cn1nc(C(=O)N2CCOCC2)c2c1CN(C(=O)C1CCC1)C2 ZINC000169765327 396091247 /nfs/dbraw/zinc/09/12/47/396091247.db2.gz MGKQFRXOAIKDAH-UHFFFAOYSA-N 0 0 318.377 0.535 50 0 DCAARN CN(C)c1ncccc1C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000069809554 396091326 /nfs/dbraw/zinc/09/13/26/396091326.db2.gz PKQOYXLEPSXDLH-UHFFFAOYSA-N 0 0 306.410 0.676 50 0 DCAARN CCNC(=O)N1CCn2nnc(CCC(=O)N3CCCC3)c2C1 ZINC000169785690 396092549 /nfs/dbraw/zinc/09/25/49/396092549.db2.gz NYSPKSGUPRAWNR-UHFFFAOYSA-N 0 0 320.397 0.378 50 0 DCAARN COCC(=O)N[C@H]1CCC12CCN(C(=O)C1CCOCC1)CC2 ZINC000169787276 396092669 /nfs/dbraw/zinc/09/26/69/396092669.db2.gz OMRWSYUIKURAOS-AWEZNQCLSA-N 0 0 324.421 0.947 50 0 DCAARN CCN(CC)C(=O)N1CCC2(CC1)N(C)C(=O)C[S@@]2=O ZINC000169791747 396093350 /nfs/dbraw/zinc/09/33/50/396093350.db2.gz JIQXGYYBFYZYOQ-FQEVSTJZSA-N 0 0 301.412 0.461 50 0 DCAARN COCc1nnc2n1CC[C@H](NC(=O)c1nccn1C)CC2 ZINC000169790355 396093421 /nfs/dbraw/zinc/09/34/21/396093421.db2.gz IVBMRCAPLGYUSC-SNVBAGLBSA-N 0 0 304.354 0.293 50 0 DCAARN COc1ccccc1CC(C)(C)NC(=O)CNS(C)(=O)=O ZINC000069892636 396093997 /nfs/dbraw/zinc/09/39/97/396093997.db2.gz DFSHIXKOIDREGN-UHFFFAOYSA-N 0 0 314.407 0.682 50 0 DCAARN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCc1cnn(C)c1C ZINC000170613382 396095911 /nfs/dbraw/zinc/09/59/11/396095911.db2.gz WBCUTVZJNKIQFZ-RYUDHWBXSA-N 0 0 315.395 0.490 50 0 DCAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCCC1=O ZINC000170620390 396096144 /nfs/dbraw/zinc/09/61/44/396096144.db2.gz RFAVFYDHDSHTAP-CYBMUJFWSA-N 0 0 304.346 0.509 50 0 DCAARN Cc1nc2ccc(F)cc2c(=O)n1CC(=O)Nc1nc[nH]n1 ZINC000170622272 396096187 /nfs/dbraw/zinc/09/61/87/396096187.db2.gz MBIXDFSNSWWAMG-UHFFFAOYSA-N 0 0 302.269 0.601 50 0 DCAARN O=C(CN1CCO[C@H](Cn2cncn2)C1)NCc1cccs1 ZINC000070006217 396097401 /nfs/dbraw/zinc/09/74/01/396097401.db2.gz KEKMIKDCTLMDAC-LBPRGKRZSA-N 0 0 321.406 0.357 50 0 DCAARN Cc1ccc(N2CCC[C@H](NCc3nnnn3C3CC3)C2)nn1 ZINC000070021853 396098154 /nfs/dbraw/zinc/09/81/54/396098154.db2.gz FQRGHMDTLCWAKI-LBPRGKRZSA-N 0 0 314.397 0.865 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)Cc2ccc(C)nc2)CC1 ZINC000070040911 396098760 /nfs/dbraw/zinc/09/87/60/396098760.db2.gz CVIDWHBLVFSUCY-MRXNPFEDSA-N 0 0 321.421 0.474 50 0 DCAARN COc1cn(CC(=O)NCc2cccnc2)c(CO)cc1=O ZINC000070666272 396102889 /nfs/dbraw/zinc/10/28/89/396102889.db2.gz BHSXSZJDHGMLKA-UHFFFAOYSA-N 0 0 303.318 0.061 50 0 biogenic DCAARN COC[C@@]1(C)NC(=O)N(C[C@H](O)c2ccc(F)c(F)c2)C1=O ZINC000071186317 396110781 /nfs/dbraw/zinc/11/07/81/396110781.db2.gz WKZPGFXVEQZEKR-SMDDNHRTSA-N 0 0 314.288 0.955 50 0 DCAARN Cc1nc2c(cccc2C(=O)NCCSc2nnnn2C)[nH]1 ZINC000071422412 396114701 /nfs/dbraw/zinc/11/47/01/396114701.db2.gz JEOIDWINOJAYQH-UHFFFAOYSA-N 0 0 317.378 0.917 50 0 DCAARN O=C(Cn1nc2ccccn2c1=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000071805057 396114951 /nfs/dbraw/zinc/11/49/51/396114951.db2.gz YJUBXNVKFSIZFM-STQMWFEESA-N 0 0 316.361 0.666 50 0 DCAARN O=C(Cc1ccccn1)N1CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC000071799491 396115195 /nfs/dbraw/zinc/11/51/95/396115195.db2.gz IWMGMORVLWSCLZ-OAHLLOKOSA-N 0 0 317.389 0.864 50 0 DCAARN Cc1ccc2oc(=O)n(CN(C)[C@@H]3CCS(=O)(=O)C3)c2c1 ZINC000071817261 396116407 /nfs/dbraw/zinc/11/64/07/396116407.db2.gz XWWQDBDVPQSJLO-LLVKDONJSA-N 0 0 310.375 0.979 50 0 DCAARN NC(=O)[C@@H](CNC(=O)c1ccc[nH]c1=O)Cc1ccc(F)cc1 ZINC000071826905 396116974 /nfs/dbraw/zinc/11/69/74/396116974.db2.gz WVSODJMHZVGDMF-LLVKDONJSA-N 0 0 317.320 0.588 50 0 DCAARN Cn1cc([C@@H]2C[C@H]2C(=O)N2CCN(c3cnccn3)CC2)cn1 ZINC000071830468 396117751 /nfs/dbraw/zinc/11/77/51/396117751.db2.gz NIFVYXCGGZAQRV-UONOGXRCSA-N 0 0 312.377 0.662 50 0 DCAARN CC(C)c1noc(CN2CCN(C(=O)c3cc[nH]n3)CC2)n1 ZINC000071839640 396118452 /nfs/dbraw/zinc/11/84/52/396118452.db2.gz XICIWQXYZXGSDO-UHFFFAOYSA-N 0 0 304.354 0.874 50 0 DCAARN O=C(Cn1cccn1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000071863665 396119812 /nfs/dbraw/zinc/11/98/12/396119812.db2.gz XOILYZJAMKCHOI-INIZCTEOSA-N 0 0 314.389 0.761 50 0 DCAARN COc1ccc(COCC(=O)N2CCN(C[C@H](C)O)CC2)cc1 ZINC000071871308 396120826 /nfs/dbraw/zinc/12/08/26/396120826.db2.gz ZDTWEALURGQTMO-AWEZNQCLSA-N 0 0 322.405 0.737 50 0 DCAARN NC(=O)[C@H](c1ccccc1)N1CCO[C@H](Cn2cncn2)C1 ZINC000071876560 396121423 /nfs/dbraw/zinc/12/14/23/396121423.db2.gz NNDSEDFROSCVEB-KBPBESRZSA-N 0 0 301.350 0.206 50 0 DCAARN CNC(=O)C1(C(=O)N2CCCN(c3ccc(C)nn3)CC2)CC1 ZINC000071879501 396122298 /nfs/dbraw/zinc/12/22/98/396122298.db2.gz BVWCILXSGABIGK-UHFFFAOYSA-N 0 0 317.393 0.350 50 0 DCAARN O=C(NCCS(=O)(=O)N1CCSCC1)c1ccccc1 ZINC000071884329 396123273 /nfs/dbraw/zinc/12/32/73/396123273.db2.gz TXVFMRPVLFRVKM-UHFFFAOYSA-N 0 0 314.432 0.795 50 0 DCAARN C/C=C/C=C/C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000071896373 396123292 /nfs/dbraw/zinc/12/32/92/396123292.db2.gz RICRYDUYPCCOKB-BIVGAZQVSA-N 0 0 321.421 0.510 50 0 DCAARN COC[C@H](C)NC(=O)N(C)C[C@@H](O)COCCOC(C)C ZINC000071913539 396124537 /nfs/dbraw/zinc/12/45/37/396124537.db2.gz YNNUTRQMFWBVFH-QWHCGFSZSA-N 0 0 306.403 0.465 50 0 DCAARN CC[C@H](C)NC(=O)CN1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000071916183 396125503 /nfs/dbraw/zinc/12/55/03/396125503.db2.gz VNIRKLOUEDITIZ-ZDUSSCGKSA-N 0 0 320.441 0.579 50 0 DCAARN Cc1cccc(CCC(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000072290722 396129846 /nfs/dbraw/zinc/12/98/46/396129846.db2.gz DEQGEIQJLPDRSN-INIZCTEOSA-N 0 0 301.346 0.738 50 0 DCAARN O=C(CN1CCC(=O)NC1=O)N1CCC[C@@H](c2nccs2)C1 ZINC000072285104 396130087 /nfs/dbraw/zinc/13/00/87/396130087.db2.gz DQNSDQBFAWLDNW-SNVBAGLBSA-N 0 0 322.390 0.791 50 0 DCAARN C[C@H](NC(=O)CN1CCc2nn(C)c(=O)cc2C1)c1ccco1 ZINC000072302370 396130732 /nfs/dbraw/zinc/13/07/32/396130732.db2.gz MFAQLNGKQZCONP-NSHDSACASA-N 0 0 316.361 0.609 50 0 DCAARN CCc1nc([C@H]2CCCN2C(=O)[C@@H]2CCS(=O)(=O)C2)no1 ZINC000072299274 396130989 /nfs/dbraw/zinc/13/09/89/396130989.db2.gz ZDSKYNWEOITXLA-NXEZZACHSA-N 0 0 313.379 0.730 50 0 DCAARN Cc1ccccc1OCC(=O)N(C)CC(=O)N1CCOCC1 ZINC000072755721 396135602 /nfs/dbraw/zinc/13/56/02/396135602.db2.gz KTQNRWDDGCKFFV-UHFFFAOYSA-N 0 0 306.362 0.691 50 0 DCAARN O=C(CN1CCO[C@H](Cn2cccn2)C1)NCc1cccs1 ZINC000069392545 396077478 /nfs/dbraw/zinc/07/74/78/396077478.db2.gz KKPKSXNYPMDILA-ZDUSSCGKSA-N 0 0 320.418 0.962 50 0 DCAARN Cc1noc([C@H](C)N2CCN(CCS(C)(=O)=O)CC2)n1 ZINC000069418077 396077808 /nfs/dbraw/zinc/07/78/08/396077808.db2.gz YFMADNBFERHALB-JTQLQIEISA-N 0 0 302.400 0.101 50 0 DCAARN CCOCCC(=O)N1CCN(c2nccc(OCC)n2)CC1 ZINC000069514125 396081270 /nfs/dbraw/zinc/08/12/70/396081270.db2.gz QYNWYBROPPRLTE-UHFFFAOYSA-N 0 0 308.382 0.951 50 0 DCAARN NC(=O)CN(CC(N)=O)Cc1cc(F)ccc1Br ZINC000069527655 396081717 /nfs/dbraw/zinc/08/17/17/396081717.db2.gz KLYNHIPUUTTZKE-UHFFFAOYSA-N 0 0 318.146 0.361 50 0 DCAARN O=C(NCCNc1nnnn1-c1ccccc1)c1ccccn1 ZINC000069561011 396082590 /nfs/dbraw/zinc/08/25/90/396082590.db2.gz ZGHKTDTZJQQAKJ-UHFFFAOYSA-N 0 0 309.333 0.899 50 0 DCAARN CN(C(=O)CN1CCN([C@@H]2CCOC2=O)CC1)C1CCCCC1 ZINC000069560661 396082911 /nfs/dbraw/zinc/08/29/11/396082911.db2.gz BGZQFIFBHIKKDO-OAHLLOKOSA-N 0 0 323.437 0.711 50 0 DCAARN COCCNC(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1 ZINC000069571550 396083374 /nfs/dbraw/zinc/08/33/74/396083374.db2.gz QRWUZFCZAHUMFD-UHFFFAOYSA-N 0 0 324.381 0.334 50 0 DCAARN C[C@@H](NC(=O)c1nccnc1N)C(=O)N1CCc2ccccc21 ZINC000069617155 396084470 /nfs/dbraw/zinc/08/44/70/396084470.db2.gz VYQUJHWEXYJWBX-SNVBAGLBSA-N 0 0 311.345 0.766 50 0 DCAARN COC(=O)c1cc(C(=O)N(C)CC(N)=O)n(-c2ccccc2)n1 ZINC000069632501 396085444 /nfs/dbraw/zinc/08/54/44/396085444.db2.gz KQTGAHAVUKLPMX-UHFFFAOYSA-N 0 0 316.317 0.216 50 0 DCAARN CNC(=O)NC(=O)CSc1nncn1-c1ccc(OC)nc1 ZINC000069631189 396085586 /nfs/dbraw/zinc/08/55/86/396085586.db2.gz BMQWNCQEJFQGEU-UHFFFAOYSA-N 0 0 322.350 0.219 50 0 DCAARN CCc1nc(C)ncc1C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000076045073 396192606 /nfs/dbraw/zinc/19/26/06/396192606.db2.gz CINMOTCHTWFJED-ZDUSSCGKSA-N 0 0 316.365 0.988 50 0 DCAARN CCCc1nnc([C@@H]2CN(C(=O)c3csnn3)CCO2)[nH]1 ZINC000076046018 396192947 /nfs/dbraw/zinc/19/29/47/396192947.db2.gz TVMQTJZVOBIIOB-VIFPVBQESA-N 0 0 308.367 0.822 50 0 DCAARN Cc1nnc([C@H]2CN(CC(=O)NCc3cccs3)CCO2)[nH]1 ZINC000076049008 396193809 /nfs/dbraw/zinc/19/38/09/396193809.db2.gz NOSQMUMAKXNJIE-GFCCVEGCSA-N 0 0 321.406 0.864 50 0 DCAARN Cc1cc(NC(=O)CN2CCO[C@H](c3nnc(C)[nH]3)C2)on1 ZINC000076048462 396194121 /nfs/dbraw/zinc/19/41/21/396194121.db2.gz UPBMUYBCQFFSAZ-JTQLQIEISA-N 0 0 306.326 0.422 50 0 DCAARN C[C@H](C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)N1CCCCC1=O ZINC000076055053 396194979 /nfs/dbraw/zinc/19/49/79/396194979.db2.gz BALFSZAZMDGRQM-RBSFLKMASA-N 0 0 323.437 0.567 50 0 DCAARN CCCn1nc2c(cc1=O)CN(c1ccc3nnnn3n1)CC2 ZINC000076063886 396195552 /nfs/dbraw/zinc/19/55/52/396195552.db2.gz KVPNTVKFYOZDMU-UHFFFAOYSA-N 0 0 312.337 0.049 50 0 DCAARN CCn1cc(S(=O)(=O)N[C@@H]2CCCN(CCOC)C2)cn1 ZINC000078532897 396247587 /nfs/dbraw/zinc/24/75/87/396247587.db2.gz VKEXDVXMRNFZDZ-GFCCVEGCSA-N 0 0 316.427 0.292 50 0 DCAARN CC(C)c1nnc([C@@H]2CN(C(=O)CCn3ccnn3)CCO2)[nH]1 ZINC000078889553 396255850 /nfs/dbraw/zinc/25/58/50/396255850.db2.gz GWOYZQJXGJOGSY-NSHDSACASA-N 0 0 319.369 0.510 50 0 DCAARN O=C(NCCCO)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000080551695 396282346 /nfs/dbraw/zinc/28/23/46/396282346.db2.gz DJCFXADYTMANAF-ILXRZTDVSA-N 0 0 317.389 0.825 50 0 DCAARN Cc1cc(=O)[nH]c(NCCNC(=O)c2cnn(C(C)C)c2)n1 ZINC000077356560 396219207 /nfs/dbraw/zinc/21/92/07/396219207.db2.gz KUXGSEIBCAWGLG-UHFFFAOYSA-N 0 0 304.354 0.698 50 0 DCAARN CCOCCn1c(=O)[nH]c2cc(C(=O)N3CC(O)C3)ccc21 ZINC000077355972 396219624 /nfs/dbraw/zinc/21/96/24/396219624.db2.gz JACNKPIGJZTFHM-UHFFFAOYSA-N 0 0 305.334 0.183 50 0 DCAARN COCCN1C[C@H](C(=O)Nc2nnc(C3CCC3)[nH]2)CC1=O ZINC000184592612 396299395 /nfs/dbraw/zinc/29/93/95/396299395.db2.gz GSNQJDJJXDWAOL-SNVBAGLBSA-N 0 0 307.354 0.506 50 0 DCAARN Cn1cccc1C(=O)C(=O)N1CCN(CC2CC2)[C@@H](CCO)C1 ZINC000584885887 396632511 /nfs/dbraw/zinc/63/25/11/396632511.db2.gz FEWKESIXFOGVDX-AWEZNQCLSA-N 0 0 319.405 0.513 50 0 DCAARN O=S(=O)(N1CCCC1)N1CCN([C@H]2CCSC2)CC1 ZINC000584888883 396633328 /nfs/dbraw/zinc/63/33/28/396633328.db2.gz HPRLGKZDOWFOKG-LBPRGKRZSA-N 0 0 305.469 0.450 50 0 DCAARN Cn1cnc2cc(C(=O)N3CCN(C)[C@H](CCO)C3)ccc21 ZINC000584890208 396633345 /nfs/dbraw/zinc/63/33/45/396633345.db2.gz SBVLQQAMBIYOAV-CYBMUJFWSA-N 0 0 302.378 0.712 50 0 DCAARN CCCN(C[C@@H]1CCCO1)C(=O)NCc1nc(C(N)=O)no1 ZINC000584888020 396633535 /nfs/dbraw/zinc/63/35/35/396633535.db2.gz AGWCNWZQYBHVCK-VIFPVBQESA-N 0 0 311.342 0.269 50 0 DCAARN O=c1c2cc(OC(F)(F)F)ccc2ncn1C[C@H](O)CO ZINC000584891686 396634226 /nfs/dbraw/zinc/63/42/26/396634226.db2.gz BSTVXBAMVBAKSH-ZETCQYMHSA-N 0 0 304.224 0.648 50 0 DCAARN O=C(c1cc2c([nH]c1=O)CCC2)N1CCN2C(=O)OC[C@H]2C1 ZINC000584899323 396636131 /nfs/dbraw/zinc/63/61/31/396636131.db2.gz FFFQGFYCDPXSBQ-SNVBAGLBSA-N 0 0 303.318 0.553 50 0 DCAARN O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1ccc[nH]1 ZINC000584899309 396636167 /nfs/dbraw/zinc/63/61/67/396636167.db2.gz JWGLOLPNZAOCRX-UHFFFAOYSA-N 0 0 306.366 0.661 50 0 DCAARN O=C(CCN1CCCCCC1=O)N[C@H]1CCS(=O)(=O)C1 ZINC000584900819 396636622 /nfs/dbraw/zinc/63/66/22/396636622.db2.gz MPHVXSTVPOGXBD-NSHDSACASA-N 0 0 302.396 0.082 50 0 DCAARN CC(C)Nc1ncc(C(=O)NC2CCS(=O)(=O)CC2)cn1 ZINC000584901807 396637266 /nfs/dbraw/zinc/63/72/66/396637266.db2.gz ZBFQOESNNOSULY-UHFFFAOYSA-N 0 0 312.395 0.604 50 0 DCAARN CCCc1occc1C(=O)N1CCN(S(=O)(=O)NC)CC1 ZINC000294334925 396668693 /nfs/dbraw/zinc/66/86/93/396668693.db2.gz JNMHUWNEPCHAFQ-UHFFFAOYSA-N 0 0 315.395 0.454 50 0 DCAARN Cc1ccc(CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)cn1 ZINC000044954886 292105410 /nfs/dbraw/zinc/10/54/10/292105410.db2.gz VKQVDFSJEHPUPE-CYBMUJFWSA-N 0 0 311.407 0.820 50 0 DCAARN CCc1ncnc(O[C@H]2CCN(C(=O)CNC(C)=O)C2)c1F ZINC000390829525 397302731 /nfs/dbraw/zinc/30/27/31/397302731.db2.gz ZPMIUTOREQNOJB-JTQLQIEISA-N 0 0 310.329 0.294 50 0 DCAARN C/C=C\C[C@H](CO)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000606441242 397680968 /nfs/dbraw/zinc/68/09/68/397680968.db2.gz JDZQOTJNNSTDOK-ZZKXABKFSA-N 0 0 324.402 0.578 50 0 DCAARN COc1ccc([C@@H]2CC3(C)NC(=O)C2C(=O)N3)c(OC)c1OC ZINC000062001826 286360388 /nfs/dbraw/zinc/36/03/88/286360388.db2.gz RLYRNVOTMWPCNV-BAJKAOOYSA-N 0 0 320.345 0.778 50 0 biogenic DCAARN COCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000072237978 292360695 /nfs/dbraw/zinc/36/06/95/292360695.db2.gz XESXTBDYLAMSMA-HUUCEWRRSA-N 0 0 306.362 0.738 50 0 DCAARN Cn1cc([C@H]2CCCCN2C(=O)c2ccc(=O)n(C)n2)cn1 ZINC000328911057 159040989 /nfs/dbraw/zinc/04/09/89/159040989.db2.gz NXIKQANHGGDVLK-CYBMUJFWSA-N 0 0 301.350 0.881 50 0 DCAARN O=C1CN(S(=O)(=O)CC2CCC2)CCN1CC(F)(F)F ZINC000329086559 159060501 /nfs/dbraw/zinc/06/05/01/159060501.db2.gz UVHHWZBVAIDTJY-UHFFFAOYSA-N 0 0 314.329 0.823 50 0 DCAARN Cn1nnc(CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)n1 ZINC000329854583 159123855 /nfs/dbraw/zinc/12/38/55/159123855.db2.gz STPIFWSLPXYOTB-ZDUSSCGKSA-N 0 0 308.342 0.183 50 0 DCAARN O=S(=O)(NCCCc1nnc2ccccn21)N1CCCC1 ZINC000360514771 159271256 /nfs/dbraw/zinc/27/12/56/159271256.db2.gz KDXMLUFKZGRGDD-UHFFFAOYSA-N 0 0 309.395 0.592 50 0 DCAARN C[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C[C@H](C)O1 ZINC000015980298 296809693 /nfs/dbraw/zinc/80/96/93/296809693.db2.gz QBWYLUBGDSEPGT-TXEJJXNPSA-N 0 0 323.393 0.877 50 0 DCAARN O=C(N[C@@H]1CCc2ncnn2C1)c1cccc(-c2nc[nH]n2)c1 ZINC000132215613 287004247 /nfs/dbraw/zinc/00/42/47/287004247.db2.gz AFBYSSIWLMYMCB-GFCCVEGCSA-N 0 0 309.333 0.808 50 0 DCAARN CNS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)OC)cc1 ZINC000181042741 287056203 /nfs/dbraw/zinc/05/62/03/287056203.db2.gz PSBJUSMRMAQOQD-VHSXEESVSA-N 0 0 300.380 0.807 50 0 DCAARN COc1ccc(CCn2c(N)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000023115360 415159179 /nfs/dbraw/zinc/15/91/79/415159179.db2.gz IHQGOHQSPRTWDF-UHFFFAOYSA-N 0 0 315.333 0.257 50 0 DCAARN O=c1[nH]c2ccc(NC(=S)NCCN3CCOCC3)cc2[nH]1 ZINC000025228311 415163391 /nfs/dbraw/zinc/16/33/91/415163391.db2.gz GWBWBYNIASEAJX-UHFFFAOYSA-N 0 0 321.406 0.475 50 0 DCAARN CC(C)[NH+]1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)CC1 ZINC000003882700 415128137 /nfs/dbraw/zinc/12/81/37/415128137.db2.gz WPMPUQODTSAUIV-VMUDFCTBSA-N 0 0 320.389 0.726 50 0 DCAARN CCOCCCNC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000006935865 415134872 /nfs/dbraw/zinc/13/48/72/415134872.db2.gz SZKLPKKLSLFQCY-UHFFFAOYSA-N 0 0 300.380 0.751 50 0 DCAARN C[C@@]1(NS(=O)(=O)c2ccc(F)cc2)CCS(=O)(=O)C1 ZINC000007304236 415137181 /nfs/dbraw/zinc/13/71/81/415137181.db2.gz QGOSFEIYOTVRMC-LLVKDONJSA-N 0 0 307.368 0.681 50 0 DCAARN COCCNC(=S)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000007679156 415140176 /nfs/dbraw/zinc/14/01/76/415140176.db2.gz IORPRMVSTJFOIO-UHFFFAOYSA-N 0 0 314.411 0.513 50 0 DCAARN CC[C@H](C)NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000007675935 415141537 /nfs/dbraw/zinc/14/15/37/415141537.db2.gz PKPRACCNEKGCLT-VIFPVBQESA-N 0 0 303.318 0.995 50 0 DCAARN C[C@@H]1C[C@@H]1C(=O)OCC(=O)N1CCN(c2ncccn2)CC1 ZINC000008099967 415143903 /nfs/dbraw/zinc/14/39/03/415143903.db2.gz WPALNQXJVWKFGV-NEPJUHHUSA-N 0 0 304.350 0.324 50 0 DCAARN COc1ccc(C=Cc2nc3[nH]c(=O)[nH]c(=O)c3c(=O)[nH]2)cc1 ZINC000027299977 415169999 /nfs/dbraw/zinc/16/99/99/415169999.db2.gz FPPPCPRFYXAHJH-QPJJXVBHSA-N 0 0 312.285 0.891 50 0 DCAARN CN(C)C(=O)COC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000027790978 415172879 /nfs/dbraw/zinc/17/28/79/415172879.db2.gz NXUCZBPEGMQNSK-UHFFFAOYSA-N 0 0 323.280 0.274 50 0 DCAARN C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)[C@@H]1CCCO1 ZINC000027881620 415172936 /nfs/dbraw/zinc/17/29/36/415172936.db2.gz ZTHIZTQIQYMDCV-MFKMUULPSA-N 0 0 302.334 0.475 50 0 DCAARN CCNC(=O)C1CCN([C@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000027414711 415173229 /nfs/dbraw/zinc/17/32/29/415173229.db2.gz PZRFFBNLUVPXCU-SNVBAGLBSA-N 0 0 321.429 0.429 50 0 DCAARN O=C(CCNc1ncccn1)N1CCN(c2ncccn2)CC1 ZINC000040527851 415198649 /nfs/dbraw/zinc/19/86/49/415198649.db2.gz DTANWUACMQCECQ-UHFFFAOYSA-N 0 0 313.365 0.417 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000042502325 415210184 /nfs/dbraw/zinc/21/01/84/415210184.db2.gz PNGGJRLKWUQPMF-VXGBXAGGSA-N 0 0 314.411 0.202 50 0 DCAARN O=C(CN1CCCC1=O)NCc1cccnc1N1CCOCC1 ZINC000044908546 415232602 /nfs/dbraw/zinc/23/26/02/415232602.db2.gz UQRTVQQNXKFNCE-UHFFFAOYSA-N 0 0 318.377 0.157 50 0 DCAARN C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)c1ccccc1 ZINC000044941516 415234602 /nfs/dbraw/zinc/23/46/02/415234602.db2.gz JUZARXXUSNBBKO-LBPRGKRZSA-N 0 0 316.361 0.178 50 0 DCAARN CC(C)C(=O)NCCNC(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000044935796 415236637 /nfs/dbraw/zinc/23/66/37/415236637.db2.gz JMNWIJXDGNXFMS-UHFFFAOYSA-N 0 0 310.329 0.818 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)NC[C@@H](c1ccco1)N(C)C ZINC000044949295 415239917 /nfs/dbraw/zinc/23/99/17/415239917.db2.gz CBLDOLYUEWSAHL-KBPBESRZSA-N 0 0 324.425 0.902 50 0 DCAARN C[C@H](C(=O)NCCc1cnn(-c2ccccc2)c1)S(C)(=O)=O ZINC000044951502 415240822 /nfs/dbraw/zinc/24/08/22/415240822.db2.gz ONAWKTYRTUZUET-GFCCVEGCSA-N 0 0 321.402 0.964 50 0 DCAARN Cc1ccc(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cn1 ZINC000044954905 415240833 /nfs/dbraw/zinc/24/08/33/415240833.db2.gz HCOHGVLIGIORKD-ZDUSSCGKSA-N 0 0 311.407 0.678 50 0 DCAARN Cc1nn(C(C)C)c2cnn(CC(=O)N3CCN(C)CC3)c12 ZINC000046087545 415254481 /nfs/dbraw/zinc/25/44/81/415254481.db2.gz HBHREKYBPWCEKZ-UHFFFAOYSA-N 0 0 304.398 0.896 50 0 DCAARN CN1C[C@H](C(=O)N2CCN(C)C[C@H]2c2ccccc2)CC1=O ZINC000046166510 415256157 /nfs/dbraw/zinc/25/61/57/415256157.db2.gz AVDISBZDQFBSTB-CABCVRRESA-N 0 0 301.390 0.980 50 0 DCAARN CC(C)N1C[C@H](C(=O)NCc2nnc3ccccn32)CC1=O ZINC000046318982 415258014 /nfs/dbraw/zinc/25/80/14/415258014.db2.gz NDZRWCNCODXJNH-LLVKDONJSA-N 0 0 301.350 0.602 50 0 DCAARN C[C@@H](CNS(=O)(=O)c1cc(F)ccc1F)N1CCOCC1 ZINC000046303457 415259074 /nfs/dbraw/zinc/25/90/74/415259074.db2.gz NMGTXZMCDUNUKK-JTQLQIEISA-N 0 0 320.361 0.964 50 0 DCAARN CN(C)c1ncccc1CNC(=O)C1CCN(C(N)=O)CC1 ZINC000046940726 415262502 /nfs/dbraw/zinc/26/25/02/415262502.db2.gz VNQZCIOSXHEGOX-UHFFFAOYSA-N 0 0 305.382 0.555 50 0 DCAARN CC(=O)NCc1ccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000044720111 415225012 /nfs/dbraw/zinc/22/50/12/415225012.db2.gz GWNQVUVFASVABP-ZDUSSCGKSA-N 0 0 324.402 0.487 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000044723179 415225445 /nfs/dbraw/zinc/22/54/45/415225445.db2.gz RTTSAQRDKGFSDF-ZYHUDNBSSA-N 0 0 322.386 0.663 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000044720046 415225593 /nfs/dbraw/zinc/22/55/93/415225593.db2.gz MMLOLNFNPPOTTG-SECBINFHSA-N 0 0 324.358 0.182 50 0 DCAARN Cc1ccccc1CCNS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000044761836 415225904 /nfs/dbraw/zinc/22/59/04/415225904.db2.gz PDEVQWOIONGHHT-UHFFFAOYSA-N 0 0 321.402 0.953 50 0 DCAARN O=C(/C=C/c1ccc2c(c1)CCO2)N[C@H]1CCS(=O)(=O)C1 ZINC000044893224 415229046 /nfs/dbraw/zinc/22/90/46/415229046.db2.gz FVJXCPXLWMJJQM-OHVSUOQFSA-N 0 0 307.371 0.938 50 0 DCAARN CN(C(=O)[C@@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 ZINC000044873149 415229510 /nfs/dbraw/zinc/22/95/10/415229510.db2.gz YQMVGHOJJLONAV-GWCFXTLKSA-N 0 0 311.359 0.472 50 0 DCAARN CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000048263383 415287605 /nfs/dbraw/zinc/28/76/05/415287605.db2.gz QVPWBVMPJQPYDS-STQMWFEESA-N 0 0 318.439 0.686 50 0 DCAARN Cc1csc(CNC(=O)NC2CCN(CC(N)=O)CC2)n1 ZINC000048302062 415291992 /nfs/dbraw/zinc/29/19/92/415291992.db2.gz LUOAJIKUYXICNL-UHFFFAOYSA-N 0 0 311.411 0.200 50 0 DCAARN O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCC[NH2+]CC2)c1 ZINC000048823071 415301074 /nfs/dbraw/zinc/30/10/74/415301074.db2.gz CPHIFODNBZQFER-UHFFFAOYSA-N 0 0 302.327 0.508 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)NCc2ccc(C)nc2)n(C)c1 ZINC000049198273 415305566 /nfs/dbraw/zinc/30/55/66/415305566.db2.gz MQCOZCNZBQNODJ-UHFFFAOYSA-N 0 0 322.390 0.567 50 0 DCAARN CN1C(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000049649464 415307491 /nfs/dbraw/zinc/30/74/91/415307491.db2.gz QXLPDKURTMZJMZ-UHFFFAOYSA-N 0 0 310.375 0.617 50 0 DCAARN CC(=O)N1CCN(Cc2ccc(C)cc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072432802 415414300 /nfs/dbraw/zinc/41/43/00/415414300.db2.gz SKOUHSCPJNBTDA-JKSUJKDBSA-N 0 0 322.430 0.825 50 0 DCAARN CCCC(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000072437319 415415847 /nfs/dbraw/zinc/41/58/47/415415847.db2.gz OUNJBAWDAOXCFP-UHFFFAOYSA-N 0 0 319.409 0.762 50 0 DCAARN CC[C@H](C)NC(=O)Cn1c(=O)cc(COC)nc1N1CCCC1 ZINC000067256864 415374906 /nfs/dbraw/zinc/37/49/06/415374906.db2.gz LMSCOZGXZGVFLU-LBPRGKRZSA-N 0 0 322.409 0.905 50 0 DCAARN CC(=O)N1CCCn2nc(C(=O)N(C)C[C@H]3CCCO3)cc2C1 ZINC000067473033 415379709 /nfs/dbraw/zinc/37/97/09/415379709.db2.gz LRVAMJASYLZKNB-CQSZACIVSA-N 0 0 320.393 0.886 50 0 DCAARN C[C@@H]1C[C@@H](C(=O)NCCN2CCc3ccccc32)NC(=S)N1 ZINC000067649625 415379947 /nfs/dbraw/zinc/37/99/47/415379947.db2.gz UXYMQWNFBWQGLU-YPMHNXCESA-N 0 0 318.446 0.790 50 0 DCAARN Cn1nc(C2CC[NH+](CC(=O)[O-])CC2)n(-c2ccccc2)c1=O ZINC000067820163 415383177 /nfs/dbraw/zinc/38/31/77/415383177.db2.gz ZMFCQIVEMSDSNF-UHFFFAOYSA-N 0 0 316.361 0.835 50 0 DCAARN Cc1nn2cc(CNC(=O)C3=C(C)NC(=O)N[C@H]3C)nc2s1 ZINC000067787316 415386929 /nfs/dbraw/zinc/38/69/29/415386929.db2.gz MBMWOPGLYGXFPJ-LURJTMIESA-N 0 0 320.378 0.691 50 0 DCAARN CC(C)OCCS(=O)(=O)N1CCN(CC(F)F)CC1 ZINC000084621908 415498153 /nfs/dbraw/zinc/49/81/53/415498153.db2.gz DEIUMWCIGFOQTA-UHFFFAOYSA-N 0 0 300.371 0.624 50 0 DCAARN CC[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@@H]1N1CCOCC1 ZINC000084735923 415499986 /nfs/dbraw/zinc/49/99/86/415499986.db2.gz PLAQNNJGVCEGRN-CABCVRRESA-N 0 0 306.410 0.761 50 0 DCAARN Nc1cc2c(nn1)CCN(C(=O)c1cn(-c3ccccc3)nn1)C2 ZINC000075129016 415438161 /nfs/dbraw/zinc/43/81/61/415438161.db2.gz BWAQLFLYCWIPGI-UHFFFAOYSA-N 0 0 321.344 0.838 50 0 DCAARN CCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCCC2)c1=O ZINC000075530990 415444689 /nfs/dbraw/zinc/44/46/89/415444689.db2.gz UITRBZGTLKNBCB-UHFFFAOYSA-N 0 0 308.363 0.792 50 0 DCAARN CCc1nc([C@H]2CCCN2CCCN2C(=O)CNC2=O)no1 ZINC000075573261 415445556 /nfs/dbraw/zinc/44/55/56/415445556.db2.gz DFZWCLVDPSYWDD-SNVBAGLBSA-N 0 0 307.354 0.711 50 0 DCAARN O=C(NC[C@H]1CCCO1)c1nnn2c1c(=O)[nH]c1ccccc12 ZINC000075532370 415445705 /nfs/dbraw/zinc/44/57/05/415445705.db2.gz OCWLXUDYQALAKU-SECBINFHSA-N 0 0 313.317 0.480 50 0 DCAARN CCOCCCNC(=O)CCn1nc(C)c2c(C)onc2c1=O ZINC000075403116 415448180 /nfs/dbraw/zinc/44/81/80/415448180.db2.gz LGEJGGPBRFVYOT-UHFFFAOYSA-N 0 0 322.365 0.934 50 0 DCAARN CC(C)c1nc([C@H]2CCCN2CCNS(C)(=O)=O)no1 ZINC000075607041 415451606 /nfs/dbraw/zinc/45/16/06/415451606.db2.gz OXOAPISXZHDOAM-SNVBAGLBSA-N 0 0 302.400 0.879 50 0 DCAARN CC[C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1N1CCOCC1 ZINC000084735847 415502418 /nfs/dbraw/zinc/50/24/18/415502418.db2.gz PHRFGOHVRPEDBY-KGLIPLIRSA-N 0 0 307.398 0.237 50 0 DCAARN CCOC(=O)[C@H](NC(=O)COCCOC)c1cccc(O)c1 ZINC000084791201 415502627 /nfs/dbraw/zinc/50/26/27/415502627.db2.gz XDHDJHXOTICHAF-CQSZACIVSA-N 0 0 311.334 0.776 50 0 DCAARN O=C1NC[C@@H]2CN(C/C=C/c3ccc(F)cc3)CCN2C1=O ZINC000091866602 415538443 /nfs/dbraw/zinc/53/84/43/415538443.db2.gz OGIVKALTSATZGT-VSZDKKFSSA-N 0 0 303.337 0.482 50 0 DCAARN COC(=O)CN(C)CCNS(=O)(=O)c1cc(F)ccc1F ZINC000095458405 415556367 /nfs/dbraw/zinc/55/63/67/415556367.db2.gz HKXUIEVRBUUQFY-UHFFFAOYSA-N 0 0 322.333 0.348 50 0 DCAARN CN1C(=O)C[C@H](C(=O)[O-])C12CC[NH+](Cc1cccnc1N)CC2 ZINC000095381263 415556441 /nfs/dbraw/zinc/55/64/41/415556441.db2.gz BBHIFILWIPLNNI-GFCCVEGCSA-N 0 0 318.377 0.561 50 0 DCAARN CNC(=O)[C@@H]1CN(CCCN2CCOC2=O)c2ccccc2O1 ZINC000095373521 415556829 /nfs/dbraw/zinc/55/68/29/415556829.db2.gz FBOPWFAAFKPMSS-AWEZNQCLSA-N 0 0 319.361 0.842 50 0 DCAARN O=C([C@@H](c1cccnc1)N1CCOCC1)N1CCCOCC1 ZINC000095380650 415557206 /nfs/dbraw/zinc/55/72/06/415557206.db2.gz INZWKVIJDOXPAN-OAHLLOKOSA-N 0 0 305.378 0.704 50 0 DCAARN CN1Cc2ccccc2C[C@H]1C(=O)NCCN1CCOC1=O ZINC000095388145 415558130 /nfs/dbraw/zinc/55/81/30/415558130.db2.gz ORBNSTSMJGJZLF-AWEZNQCLSA-N 0 0 303.362 0.612 50 0 DCAARN COCC(=O)N1CCC(C(=O)N[C@H](C)Cc2cnccn2)CC1 ZINC000095387733 415558610 /nfs/dbraw/zinc/55/86/10/415558610.db2.gz RTNDDHGCZMPNKF-GFCCVEGCSA-N 0 0 320.393 0.409 50 0 DCAARN CC[C@@H](O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000095381644 415559774 /nfs/dbraw/zinc/55/97/74/415559774.db2.gz PKGLVORWVWFRAY-OAHLLOKOSA-N 0 0 312.435 0.905 50 0 DCAARN CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1c(C)noc1C ZINC000095953215 415562095 /nfs/dbraw/zinc/56/20/95/415562095.db2.gz VFEUAXVRCLGEAZ-JTQLQIEISA-N 0 0 303.384 0.730 50 0 DCAARN Cc1noc([C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)n1 ZINC000095954652 415563310 /nfs/dbraw/zinc/56/33/10/415563310.db2.gz PJTOZCXKKSZKTH-SNVBAGLBSA-N 0 0 311.367 0.680 50 0 DCAARN COCc1nn(Cc2nc3oc(C)c(C)c3c(N)n2)c(=O)o1 ZINC000095990904 415569367 /nfs/dbraw/zinc/56/93/67/415569367.db2.gz XLMPJMMNKJVROZ-UHFFFAOYSA-N 0 0 305.294 0.766 50 0 DCAARN CSC[C@](C)(O)CNS(=O)(=O)c1c(C)nn(C)c1C ZINC000096025974 415572826 /nfs/dbraw/zinc/57/28/26/415572826.db2.gz ZIQVOTAOCTUVHW-LLVKDONJSA-N 0 0 307.441 0.429 50 0 DCAARN COCC(=O)N1CCC(C(=O)NCc2cc(C)nn2C)CC1 ZINC000097785432 415590694 /nfs/dbraw/zinc/59/06/94/415590694.db2.gz XAPVXICECGIMAH-UHFFFAOYSA-N 0 0 308.382 0.230 50 0 DCAARN C[C@H](CN1CCOCC1)Nc1cc(N2CCC[C@H]2CO)ncn1 ZINC000106905916 415652839 /nfs/dbraw/zinc/65/28/39/415652839.db2.gz KTKPXCQEOHSRHC-KGLIPLIRSA-N 0 0 321.425 0.570 50 0 DCAARN COCC[C@H]1COCCN1C(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000334040784 415791246 /nfs/dbraw/zinc/79/12/46/415791246.db2.gz AIGDXFGJSKIEAI-YPMHNXCESA-N 0 0 310.350 0.662 50 0 DCAARN CCc1n[nH]cc1C(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299760399 416063806 /nfs/dbraw/zinc/06/38/06/416063806.db2.gz QYXGDSMDVWCQDQ-STQMWFEESA-N 0 0 302.338 0.550 50 0 DCAARN COCCn1cncc1CNC(=O)c1ccc(N(C)C)nc1 ZINC000299758712 416064104 /nfs/dbraw/zinc/06/41/04/416064104.db2.gz LDWBWXBBBSEKLB-UHFFFAOYSA-N 0 0 303.366 0.921 50 0 DCAARN Cn1cnnc1CCC(=O)NC[C@H]1COc2ccccc2O1 ZINC000299756024 416064290 /nfs/dbraw/zinc/06/42/90/416064290.db2.gz AMOFOQNLSAGWKB-NSHDSACASA-N 0 0 302.334 0.704 50 0 DCAARN O=C(NCCN1CCNC1=O)Nc1ccc2c(c1)COC2=O ZINC000299774550 416066280 /nfs/dbraw/zinc/06/62/80/416066280.db2.gz HVGSSFJQUBBFLO-UHFFFAOYSA-N 0 0 304.306 0.504 50 0 DCAARN O=C([C@H]1CCS(=O)(=O)C1)N1CCC(Oc2ccncc2)CC1 ZINC000299779494 416066705 /nfs/dbraw/zinc/06/67/05/416066705.db2.gz RYUWLCJNBUCXQV-LBPRGKRZSA-N 0 0 324.402 0.886 50 0 DCAARN CCn1ncnc1[C@H](NC(=O)CCN1CCOCC1)C1CC1 ZINC000299792061 416069014 /nfs/dbraw/zinc/06/90/14/416069014.db2.gz DFBKBLFHPQMFTM-CQSZACIVSA-N 0 0 307.398 0.588 50 0 DCAARN CC(=O)c1cccc(C(=O)N2CCN(C(C)=O)C[C@@H](O)C2)c1 ZINC000299788238 416069254 /nfs/dbraw/zinc/06/92/54/416069254.db2.gz XVNLELPDTOHKME-OAHLLOKOSA-N 0 0 304.346 0.554 50 0 DCAARN Cc1nn(C)c(C(=O)N(CC[NH+](C)C)CC(=O)[O-])c1Cl ZINC000299788592 416070277 /nfs/dbraw/zinc/07/02/77/416070277.db2.gz VIWUPWAKWNLORU-UHFFFAOYSA-N 0 0 302.762 0.470 50 0 DCAARN Cc1cc(CC(=O)N2CCN(CCN3CCOCC3)CC2)on1 ZINC000299796059 416070744 /nfs/dbraw/zinc/07/07/44/416070744.db2.gz LOSDDNZQOMIRMG-UHFFFAOYSA-N 0 0 322.409 0.002 50 0 DCAARN O=C(c1ccn(C(F)F)n1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299799762 416071169 /nfs/dbraw/zinc/07/11/69/416071169.db2.gz RXAGOTGMRCNFIA-QWRGUYRKSA-N 0 0 324.291 0.856 50 0 DCAARN NS(=O)(=O)C[C@H]1CCN(C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000299798335 416071939 /nfs/dbraw/zinc/07/19/39/416071939.db2.gz QWWFYHAAZGDNJZ-VIFPVBQESA-N 0 0 312.395 0.039 50 0 DCAARN CN1CCO[C@H](C(=O)Nc2ccc([S@](C)=O)c(F)c2)C1 ZINC000170591191 416026721 /nfs/dbraw/zinc/02/67/21/416026721.db2.gz ATHNXGZAMGIPRW-YBTHPKLGSA-N 0 0 300.355 0.832 50 0 DCAARN CC(C)(C)[C@@H](NC(=O)Nc1ccc(C(N)=O)c(F)c1)C(N)=O ZINC000170591710 416026913 /nfs/dbraw/zinc/02/69/13/416026913.db2.gz ARBWWIUYTWUAPU-JTQLQIEISA-N 0 0 310.329 0.946 50 0 DCAARN Cn1cc(C(N)=O)c(NCC(=O)N2CCc3ccccc3C2)n1 ZINC000170592942 416027346 /nfs/dbraw/zinc/02/73/46/416027346.db2.gz ZNAGUHNCTYJVMC-UHFFFAOYSA-N 0 0 313.361 0.516 50 0 DCAARN CC1(C)Cc2cc(CNC(=O)C[C@H]3NC(=O)NC3=O)ccc2O1 ZINC000216070274 416327415 /nfs/dbraw/zinc/32/74/15/416327415.db2.gz HZSVJVNVONKDSH-LLVKDONJSA-N 0 0 317.345 0.614 50 0 DCAARN Nc1ncccc1CN1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000216109871 416327453 /nfs/dbraw/zinc/32/74/53/416327453.db2.gz XUTNEWXSWCIWND-AWEZNQCLSA-N 0 0 304.394 0.877 50 0 DCAARN Cc1nc(CN2CCN(c3ncccc3C(N)=O)CC2)c[nH]1 ZINC000216161386 416327563 /nfs/dbraw/zinc/32/75/63/416327563.db2.gz INBVUXFOVCHCRV-UHFFFAOYSA-N 0 0 300.366 0.534 50 0 DCAARN COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CCC[NH2+][C@@H]1C ZINC000239882227 416329908 /nfs/dbraw/zinc/32/99/08/416329908.db2.gz DAOZRIMHJKOTOH-SFYZADRCSA-N 0 0 319.408 0.349 50 0 DCAARN Cc1cc(C)n(CCNC(=O)COC[C@@H]2CCCCO2)c(=O)n1 ZINC000240825148 416329946 /nfs/dbraw/zinc/32/99/46/416329946.db2.gz QNJSMPUAKIZDPT-AWEZNQCLSA-N 0 0 323.393 0.562 50 0 DCAARN C[C@@H](NC(=O)N(C)CCCn1ccnc1)c1nnnn1C1CC1 ZINC000241586462 416330048 /nfs/dbraw/zinc/33/00/48/416330048.db2.gz OWELGDZSTDDWBL-LLVKDONJSA-N 0 0 318.385 0.997 50 0 DCAARN Cc1ccc(CNC(=O)CCN(C)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000244574922 416330398 /nfs/dbraw/zinc/33/03/98/416330398.db2.gz CTQPMHJYAAEQKJ-GFCCVEGCSA-N 0 0 314.407 0.713 50 0 DCAARN CCNC(=O)CN1CCc2nnc(Cc3ccccc3)n2CC1 ZINC000244626723 416330469 /nfs/dbraw/zinc/33/04/69/416330469.db2.gz FRKBZWHZUDSETM-UHFFFAOYSA-N 0 0 313.405 0.863 50 0 DCAARN CN(CCNc1cc([C@H]2C[C@@H](O)C2)ncn1)S(C)(=O)=O ZINC000243901229 416330523 /nfs/dbraw/zinc/33/05/23/416330523.db2.gz BABCSJIPAGWPMZ-AOOOYVTPSA-N 0 0 300.384 0.018 50 0 DCAARN CN(CC(=O)N1CCN2C(=O)OC[C@@H]2C1)Cc1ccncc1 ZINC000244764096 416330629 /nfs/dbraw/zinc/33/06/29/416330629.db2.gz PBILTWLAXPTYAD-ZDUSSCGKSA-N 0 0 304.350 0.176 50 0 DCAARN CC(C)NC(=O)CNC(=O)c1cccc(-c2nccc(N)n2)c1 ZINC000534581133 416506049 /nfs/dbraw/zinc/50/60/49/416506049.db2.gz LGCATOGWEUTVSJ-UHFFFAOYSA-N 0 0 313.361 0.980 50 0 DCAARN Cc1nc(N)sc1CC(=O)N1C[C@H]2CCC[C@@H](C1)NC2=O ZINC000584904013 416516767 /nfs/dbraw/zinc/51/67/67/416516767.db2.gz HTTFKPCJDUWXEA-ZJUUUORDSA-N 0 0 308.407 0.703 50 0 DCAARN Cc1cc(S(=O)(=O)N2CC(Nc3cccnn3)C2)ccc1F ZINC000585149096 416519512 /nfs/dbraw/zinc/51/95/12/416519512.db2.gz VQWCHFLIEAEBCM-UHFFFAOYSA-N 0 0 322.365 1.409 50 0 DCAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cc[nH]n1 ZINC000524731455 417115137 /nfs/dbraw/zinc/11/51/37/417115137.db2.gz YRJLMAHVDAJCPR-NSHDSACASA-N 0 0 313.317 0.879 50 0 biogenic DCAARN Cc1cc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)n[nH]1 ZINC000409414039 417166643 /nfs/dbraw/zinc/16/66/43/417166643.db2.gz MVTSCCUWJKTDSI-NSHDSACASA-N 0 0 313.317 0.797 50 0 DCAARN CCn1ncc(CNC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)n1 ZINC000527814917 417278377 /nfs/dbraw/zinc/27/83/77/417278377.db2.gz ZCFNKGDCBVJKPV-HOSYDEDBSA-N 0 0 306.370 0.107 50 0 DCAARN Cc1cc(C)n(CCC(=O)N[C@@H]2CCC3N=NC(=O)N3CC2)n1 ZINC000575543616 417538554 /nfs/dbraw/zinc/53/85/54/417538554.db2.gz AXVKUDKLBXTZEC-GFCCVEGCSA-N 0 0 318.381 0.708 50 0 DCAARN Cn1cccc1CN1CC(n2cc(C(=O)NCC3CC3)nn2)C1 ZINC000575552253 417539914 /nfs/dbraw/zinc/53/99/14/417539914.db2.gz XHXDKHAJMSZVQA-UHFFFAOYSA-N 0 0 314.393 0.813 50 0 DCAARN O=C(c1ccco1)N1CC(n2cc(C(=O)N3CCCC3)nn2)C1 ZINC000575552126 417540225 /nfs/dbraw/zinc/54/02/25/417540225.db2.gz SBDQXFNPDBZYBZ-UHFFFAOYSA-N 0 0 315.333 0.804 50 0 DCAARN O=C(c1nc[nH]n1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 ZINC000575619011 417541686 /nfs/dbraw/zinc/54/16/86/417541686.db2.gz ZAOXISPOGXTGKQ-NSHDSACASA-N 0 0 324.344 0.992 50 0 DCAARN O=C(CCc1ccncc1)N1CCN(Cc2nc[nH]n2)CC1 ZINC000652903402 417995463 /nfs/dbraw/zinc/99/54/63/417995463.db2.gz YONIOOMETGSVTC-UHFFFAOYSA-N 0 0 300.366 0.477 50 0 DCAARN Cc1noc([C@H]2CCN(C(=O)CSc3nncn3C)C2)n1 ZINC000299777752 229430001 /nfs/dbraw/zinc/43/00/01/229430001.db2.gz HRUOEUIHXKEGOW-VIFPVBQESA-N 0 0 308.367 0.615 50 0 DCAARN O=C(c1cccc(CO)c1)N1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000368026315 262144390 /nfs/dbraw/zinc/14/43/90/262144390.db2.gz FHUAAFVKXIZOEJ-AWEZNQCLSA-N 0 0 324.402 0.475 50 0 DCAARN CC(C)NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000005000680 262534648 /nfs/dbraw/zinc/53/46/48/262534648.db2.gz PNCOBVBMOXUFAR-UHFFFAOYSA-N 0 0 314.363 0.706 50 0 DCAARN CCOC[C@H]1CN(C(=O)NC[C@H]2CCN(C)C(=O)C2)CCO1 ZINC000528027763 272629628 /nfs/dbraw/zinc/62/96/28/272629628.db2.gz RXTHYLTXJVOJPH-QWHCGFSZSA-N 0 0 313.398 0.302 50 0 DCAARN CCN(CC)C[C@@H](O)CNC1=NS(=O)(=O)c2ccccc21 ZINC000000068169 276105261 /nfs/dbraw/zinc/10/52/61/276105261.db2.gz RQPGPOAYRPGMJG-NSHDSACASA-N 0 0 311.407 0.428 50 0 DCAARN CC[C@@]1(C)NC(=O)c2ccc(C(=O)OC)cc2-n2nnnc21 ZINC000035615794 276605535 /nfs/dbraw/zinc/60/55/35/276605535.db2.gz OGMJBKGCDABLRN-CQSZACIVSA-N 0 0 301.306 0.818 50 0 DCAARN CC(=O)NC(=S)NN1C(=O)C2=CC=CC3=CC=C[C@@H](C1=O)[C@@H]32 ZINC000005786781 277022478 /nfs/dbraw/zinc/02/24/78/277022478.db2.gz WNLVCUZCWPNPJT-ZYHUDNBSSA-N 0 0 315.354 0.506 50 0 DCAARN CN1CCN2CCN(Cc3cccc4nsnc43)C[C@@H]2C1=O ZINC000065490622 277115650 /nfs/dbraw/zinc/11/56/50/277115650.db2.gz MQKROCYFVRWPFW-CYBMUJFWSA-N 0 0 317.418 0.650 50 0 DCAARN CC(C)(C)OC(=O)CNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000170627259 277178447 /nfs/dbraw/zinc/17/84/47/277178447.db2.gz JCTYCGSJELDVPR-XPTSAGLGSA-N 0 0 314.407 0.898 50 0 DCAARN COC(=O)C1=C[C@@]2(CC(=O)N(c3cccc(OC)c3)C2=O)NN1 ZINC000000545843 277311308 /nfs/dbraw/zinc/31/13/08/277311308.db2.gz PUUGHXZJNHUIGS-HNNXBMFYSA-N 0 0 317.301 0.220 50 0 DCAARN CC(C)N1CCC[C@H](n2cnc3c2c(=O)n(C)c(=O)n3C)C1=O ZINC000089885188 277606987 /nfs/dbraw/zinc/60/69/87/277606987.db2.gz MVWKDNRJXJPCIB-JTQLQIEISA-N 0 0 319.365 0.006 50 0 DCAARN CC(=O)c1ccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000006670144 278246730 /nfs/dbraw/zinc/24/67/30/278246730.db2.gz IZZYPRKFRXGQRS-NEPJUHHUSA-N 0 0 310.400 0.749 50 0 DCAARN CC(C)C[C@@H](C(=O)N(C)CCO)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000095360831 278949027 /nfs/dbraw/zinc/94/90/27/278949027.db2.gz WLMIRBFKDZDSED-MJBXVCDLSA-N 0 0 322.405 0.803 50 0 DCAARN CC(C)C[C@H](C(=O)N(C)CCO)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000103577541 279071430 /nfs/dbraw/zinc/07/14/30/279071430.db2.gz WLMIRBFKDZDSED-MELADBBJSA-N 0 0 322.405 0.803 50 0 DCAARN CC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000004060979 279174813 /nfs/dbraw/zinc/17/48/13/279174813.db2.gz HOFBKIOPHRQWQM-JQWIXIFHSA-N 0 0 313.398 0.188 50 0 biogenic DCAARN Cc1cc(C(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)nc(C)n1 ZINC000299779684 280335149 /nfs/dbraw/zinc/33/51/49/280335149.db2.gz QUKXBYMVRXCDJO-KBPBESRZSA-N 0 0 314.349 0.671 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C[C@@H](C)O1 ZINC000002336941 288241796 /nfs/dbraw/zinc/24/17/96/288241796.db2.gz XQNNHCZGTFJWTC-RKDXNWHRSA-N 0 0 312.347 0.919 50 0 DCAARN Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1-c1ccccc1N ZINC000004303864 281553821 /nfs/dbraw/zinc/55/38/21/281553821.db2.gz ZVEUWAFOCKDFPV-UHFFFAOYSA-N 0 0 324.344 0.566 50 0 DCAARN CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)S(C)(=O)=O ZINC000046112593 289475065 /nfs/dbraw/zinc/47/50/65/289475065.db2.gz PRWZLGIRTPQUTC-UHFFFAOYSA-N 0 0 300.424 0.963 50 0 DCAARN CO[C@@H]1CCCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000095972004 293652686 /nfs/dbraw/zinc/65/26/86/293652686.db2.gz MZIISMXSEUMGGC-MNOVXSKESA-N 0 0 306.428 0.588 50 0 DCAARN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)C(=O)c1cccnc1 ZINC000222481752 295163863 /nfs/dbraw/zinc/16/38/63/295163863.db2.gz NYYZELZCIZVIGV-CQSZACIVSA-N 0 0 309.325 0.703 50 0 DCAARN O=C(/C=C/c1ccco1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 ZINC000069667199 295396507 /nfs/dbraw/zinc/39/65/07/295396507.db2.gz LVIZBKQVMYUBEC-IHDARNGBSA-N 0 0 324.402 0.670 50 0 DCAARN Cc1c[nH]c(C(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)n1 ZINC000299755745 301023935 /nfs/dbraw/zinc/02/39/35/301023935.db2.gz CXLXSFRTZXQIEI-ZWUHOBOKSA-N 0 0 321.377 0.347 50 0 DCAARN NC(=O)CN(C1CCCC1)S(=O)(=O)N1CCCCCC1 ZINC000047281738 303248339 /nfs/dbraw/zinc/24/83/39/303248339.db2.gz PQNIYTRONYHDLB-UHFFFAOYSA-N 0 0 303.428 0.837 50 0 DCAARN NS(=O)(=O)c1ccc(NC(=S)N2CCC(O)CC2)cc1 ZINC000000540852 331463673 /nfs/dbraw/zinc/46/36/73/331463673.db2.gz SMXYJRPGTSDKHS-UHFFFAOYSA-N 0 0 315.420 0.488 50 0 DCAARN C[C@@H](NCc1nnc2n1CCCC2)C(=O)NC(=O)NC(C)(C)C ZINC000089448407 332069450 /nfs/dbraw/zinc/06/94/50/332069450.db2.gz DNYIVBQHQCQFPS-SNVBAGLBSA-N 0 0 322.413 0.717 50 0 DCAARN CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)Nc1ccc(F)cc1F ZINC000012727821 333116121 /nfs/dbraw/zinc/11/61/21/333116121.db2.gz MZYXEYKPTNLQSO-NSHDSACASA-N 0 0 318.301 0.506 50 0 DCAARN COc1cccc(S(=O)(=O)N[C@H]2CN(C)C[C@@H]2OC)c1 ZINC000534578987 334288697 /nfs/dbraw/zinc/28/86/97/334288697.db2.gz LZNWTTSYGHJILC-STQMWFEESA-N 0 0 300.380 0.303 50 0 DCAARN O=S(=O)(N[C@@H]1CCCN(Cc2cccnc2)C1)N1CCCC1 ZINC000534640943 334311162 /nfs/dbraw/zinc/31/11/62/334311162.db2.gz RZIAQLFUCFDQIA-OAHLLOKOSA-N 0 0 324.450 0.976 50 0 DCAARN C[C@H](CNS(=O)(=O)C1CC1)[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000534651129 334312068 /nfs/dbraw/zinc/31/20/68/334312068.db2.gz FFGKZDIOZGBZNS-SNVBAGLBSA-N 0 0 312.391 0.945 50 0 DCAARN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)NCCn2cncn2)C1 ZINC000534656125 334313822 /nfs/dbraw/zinc/31/38/22/334313822.db2.gz YTWRRQHKFMOHKC-CYBMUJFWSA-N 0 0 322.413 0.568 50 0 DCAARN Cc1ccnc([C@H](NC(=O)CCNS(C)(=O)=O)C2CC2)c1 ZINC000534666106 334318938 /nfs/dbraw/zinc/31/89/38/334318938.db2.gz GASRIWZBFVJVCC-CQSZACIVSA-N 0 0 311.407 0.897 50 0 DCAARN CO[C@H]1CN(C(=O)NCc2c(C)nn(C(C)C)c2C)C[C@@H]1O ZINC000534661827 334322136 /nfs/dbraw/zinc/32/21/36/334322136.db2.gz PNZNYZPHIZCPKK-KBPBESRZSA-N 0 0 310.398 0.982 50 0 DCAARN CCO[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc2[nH]cnc2c1 ZINC000534662596 334322652 /nfs/dbraw/zinc/32/26/52/334322652.db2.gz OWNPTUXTMYABHM-STQMWFEESA-N 0 0 311.363 0.645 50 0 DCAARN CCc1nc(CCNC(=O)CCNS(C)(=O)=O)cs1 ZINC000171015789 334726566 /nfs/dbraw/zinc/72/65/66/334726566.db2.gz MAMJRAZLBMDQHP-UHFFFAOYSA-N 0 0 305.425 0.304 50 0 DCAARN COC(=O)[C@H](CO)NC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000583640940 336012684 /nfs/dbraw/zinc/01/26/84/336012684.db2.gz ZILZULLXOYEWOH-NWDGAFQWSA-N 0 0 314.769 0.593 50 0 DCAARN COc1ccc(C)cc1NC(=O)C(=O)NCCN1CCOCC1 ZINC000023006435 337351528 /nfs/dbraw/zinc/35/15/28/337351528.db2.gz JYTQLWRATMATJH-UHFFFAOYSA-N 0 0 321.377 0.391 50 0 DCAARN O=C1[C@@H]2ON3CCOC[C@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000247777320 341370218 /nfs/dbraw/zinc/37/02/18/341370218.db2.gz XYHVDHOGTZELOX-QJPTWQEYSA-N 0 0 308.721 0.844 50 0 DCAARN COCCn1ccc(C(=O)NCc2nnc3n2CCCCC3)n1 ZINC000188963922 522125414 /nfs/dbraw/zinc/12/54/14/522125414.db2.gz OITUQCYXPBNXNP-UHFFFAOYSA-N 0 0 318.381 0.777 50 0 DCAARN Cn1ncc2c1nc(N1CCO[C@@H](c3nccs3)C1)nc2N ZINC000276264944 534836654 /nfs/dbraw/zinc/83/66/54/534836654.db2.gz NIXANOPUHRXRQD-SECBINFHSA-N 0 0 317.378 0.980 50 0 DCAARN Cc1ccoc1C(=O)N1CCn2c(nn(CC(F)F)c2=O)C1 ZINC000364244130 525781009 /nfs/dbraw/zinc/78/10/09/525781009.db2.gz YRAXCCMHHRRRMC-UHFFFAOYSA-N 0 0 312.276 0.867 50 0 DCAARN CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC[C@](O)(CO)C1 ZINC000408520231 526415506 /nfs/dbraw/zinc/41/55/06/526415506.db2.gz WCXYUGQLIFDFMD-IAQYHMDHSA-N 0 0 314.382 0.342 50 0 DCAARN NC(=O)[C@@H]1CC[C@@H](CNC(=O)NCc2nc(C3CC3)cs2)O1 ZINC000152588231 526974255 /nfs/dbraw/zinc/97/42/55/526974255.db2.gz ADIDRAAIUDCXLB-ONGXEEELSA-N 0 0 324.406 0.853 50 0 DCAARN Cc1cccc(CC(=O)N(C)C[C@@H](O)CN2CCOCC2)c1 ZINC000083002101 545695575 /nfs/dbraw/zinc/69/55/75/545695575.db2.gz LLDGMYQHWJRPTL-MRXNPFEDSA-N 0 0 306.406 0.689 50 0 DCAARN CNC(=O)[C@@H](NC(=O)Cn1cccc(C)c1=O)c1ccccc1 ZINC000084247917 545699752 /nfs/dbraw/zinc/69/97/52/545699752.db2.gz ILNAKURXCZOKKK-HNNXBMFYSA-N 0 0 313.357 0.760 50 0 DCAARN Cc1cnc(CN(C)[C@H]2CCN(CCS(C)(=O)=O)C2)o1 ZINC000084258872 545700979 /nfs/dbraw/zinc/70/09/79/545700979.db2.gz UAHBQYDZUSIJFW-LBPRGKRZSA-N 0 0 301.412 0.534 50 0 DCAARN COCC(=O)N1CCN(C)C[C@@H]1C(=O)NCCc1ccc(C)o1 ZINC000222775633 545942582 /nfs/dbraw/zinc/94/25/82/545942582.db2.gz TVKATNUWTDNNSI-CQSZACIVSA-N 0 0 323.393 0.036 50 0 DCAARN Cc1c(C(=O)NCCSc2c[nH]nn2)cnc2ccnn21 ZINC000670435756 547087888 /nfs/dbraw/zinc/08/78/88/547087888.db2.gz DUZRRDCRKPWKDF-UHFFFAOYSA-N 0 0 303.351 0.678 50 0 DCAARN Cc1cccc(=O)n1CCC(=O)N1C[C@H]2CCC[C@@H](C1)NC2=O ZINC000670443472 547093439 /nfs/dbraw/zinc/09/34/39/547093439.db2.gz XZJXJLDXMSMPIR-KGLIPLIRSA-N 0 0 317.389 0.674 50 0 DCAARN CCN1CCCN(S(=O)(=O)c2cccc3nn(C)nc32)CC1 ZINC000670449534 547095138 /nfs/dbraw/zinc/09/51/38/547095138.db2.gz DZNJDADTPUQWBD-UHFFFAOYSA-N 0 0 323.422 0.685 50 0 DCAARN CS(=O)(=O)NCCC(=O)NCc1cccc(-n2cccn2)c1 ZINC000670452820 547096047 /nfs/dbraw/zinc/09/60/47/547096047.db2.gz ZXSJNGGKWZAARS-UHFFFAOYSA-N 0 0 322.390 0.428 50 0 DCAARN COCc1nc(C2CCN(C(=O)N(C)C)CC2)n(CCO)n1 ZINC000670456251 547097800 /nfs/dbraw/zinc/09/78/00/547097800.db2.gz HTINUNYVNSHKLN-UHFFFAOYSA-N 0 0 311.386 0.278 50 0 DCAARN Cc1n[nH]c([C@H]2CCCN(c3cncc(C(=O)N(C)C)n3)C2)n1 ZINC000670467121 547100546 /nfs/dbraw/zinc/10/05/46/547100546.db2.gz IULPFKXLHMMVRG-NSHDSACASA-N 0 0 315.381 0.989 50 0 DCAARN CN(C)C(=O)c1cccnc1N(C)CCCN1CCOCC1 ZINC000670467484 547100920 /nfs/dbraw/zinc/10/09/20/547100920.db2.gz AXADHXLRAMUWPH-UHFFFAOYSA-N 0 0 306.410 0.942 50 0 DCAARN CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)NC)CC[C@H]2C(=O)[O-])nc1 ZINC000685940274 548745464 /nfs/dbraw/zinc/74/54/64/548745464.db2.gz BSACXZAVHOJZBY-FZMZJTMJSA-N 0 0 321.377 0.892 50 0 DCAARN CCOC(=O)[C@H]1CSCCN1C(=O)c1cccn2nnnc12 ZINC000685945149 548749167 /nfs/dbraw/zinc/74/91/67/548749167.db2.gz YHEODVWOFPSQDH-SNVBAGLBSA-N 0 0 321.362 0.245 50 0 DCAARN Cc1cc(NC(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1C ZINC000328595895 563959899 /nfs/dbraw/zinc/95/98/99/563959899.db2.gz JIJUASJYPGRAQP-NHYWBVRUSA-N 0 0 306.366 1.505 50 0 DCAARN Cc1nc(C(=O)N[C@H](CO)CCO)nn1-c1ccc(F)cc1 ZINC000888093270 661155734 /nfs/dbraw/zinc/15/57/34/661155734.db2.gz AVECBWKZQGBMJZ-NSHDSACASA-N 0 0 308.313 0.188 50 0 DCAARN Cc1cnn(C[C@@H](C)NC(=O)N[C@@H]2CCc3c(nnn3C)C2)c1 ZINC000888094052 661158158 /nfs/dbraw/zinc/15/81/58/661158158.db2.gz ZIMYMNOAQGDSTC-VXGBXAGGSA-N 0 0 317.397 0.565 50 0 DCAARN CC1=NS(=O)(=O)N(C)C=C1C(=O)NCCc1ccccc1 ZINC000888105057 661218573 /nfs/dbraw/zinc/21/85/73/661218573.db2.gz RXCYHASAOQWVGN-UHFFFAOYSA-N 0 0 307.375 0.880 50 0 DCAARN CC(C)C[C@@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1O)n1cccc1 ZINC000888105175 661219607 /nfs/dbraw/zinc/21/96/07/661219607.db2.gz YYEQNTFFQPWTAZ-AGIUHOORSA-N 0 0 314.407 0.349 50 0 DCAARN Cc1ccccc1C(=O)N1C[C@@H]2[C@@H](CN3CCNC(=O)C3)[C@@H]2C1 ZINC000102688959 658511914 /nfs/dbraw/zinc/51/19/14/658511914.db2.gz RIJSDZYRAQAVNM-PHZGNYQRSA-N 0 0 313.401 0.745 50 0 DCAARN CCn1cnnc1CN(C)c1ncc(C)c(-c2ncnn2C)n1 ZINC000023232539 658626463 /nfs/dbraw/zinc/62/64/63/658626463.db2.gz VNCBVXQXKUWPOW-UHFFFAOYSA-N 0 0 313.369 0.828 50 0 DCAARN Cc1nnc(CNC(=O)N2CCCC[C@@H]2CN2CCOCC2)[nH]1 ZINC000426381816 661561059 /nfs/dbraw/zinc/56/10/59/661561059.db2.gz VSNJOGHVEPDOQQ-CYBMUJFWSA-N 0 0 322.413 0.509 50 0 DCAARN O=C(NCCCc1nnn[n-]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000426734186 661704182 /nfs/dbraw/zinc/70/41/82/661704182.db2.gz XWLGGTSOXQEOMR-LBPRGKRZSA-N 0 0 307.402 0.402 50 0 DCAARN COC[C@](C)(NC(=O)N(C)CC(C)(CO)CO)C(F)(F)F ZINC000874435585 665174821 /nfs/dbraw/zinc/17/48/21/665174821.db2.gz YMIRMALWFXPMBL-NSHDSACASA-N 0 0 316.320 0.586 50 0 DCAARN O=C(NCc1ccc(Cn2cccn2)cc1)N1CCOCCN1 ZINC000874435419 665175289 /nfs/dbraw/zinc/17/52/89/665175289.db2.gz SADKHVALYZWFAA-UHFFFAOYSA-N 0 0 315.377 0.978 50 0 DCAARN CN1CC[C@@H](C(=O)Nc2cncnc2N2CCCC2)CC1=O ZINC000186230673 665361204 /nfs/dbraw/zinc/36/12/04/665361204.db2.gz XGHNNKVQLVMQKE-LLVKDONJSA-N 0 0 303.366 0.884 50 0 DCAARN O=C(Cn1cccn1)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000012458455 666653042 /nfs/dbraw/zinc/65/30/42/666653042.db2.gz LRUGBOHDWKBQQX-HNNXBMFYSA-N 0 0 324.384 0.768 50 0 DCAARN CCN(Cc1ccco1)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000045441586 669841579 /nfs/dbraw/zinc/84/15/79/669841579.db2.gz SOBQUVSJMUYFIZ-FPLPWBNLSA-N 0 0 317.345 0.739 50 0 DCAARN Cc1nc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)ccc1C(=O)[O-] ZINC000394737753 685267827 /nfs/dbraw/zinc/26/78/27/685267827.db2.gz HLSGGKLBLOVRHQ-GFCCVEGCSA-N 0 0 318.377 0.208 50 0 DCAARN Cc1ccccc1OC[C@H](O)C(=O)NCCCn1ccnn1 ZINC000952965422 685598016 /nfs/dbraw/zinc/59/80/16/685598016.db2.gz RREXZBHMHOCXNT-ZDUSSCGKSA-N 0 0 304.350 0.533 50 0 DCAARN Nc1ccnc(N2CCC(CNC(=O)[C@H]3CCCO3)CC2)n1 ZINC000952967212 685599183 /nfs/dbraw/zinc/59/91/83/685599183.db2.gz HDSKBLYPPDNPIF-GFCCVEGCSA-N 0 0 305.382 0.570 50 0 DCAARN CC[C@H]1C=CCN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000952989288 685602695 /nfs/dbraw/zinc/60/26/95/685602695.db2.gz RHIJJUSSFROJAX-JTQLQIEISA-N 0 0 316.404 0.673 50 0 DCAARN CSCCN1CCC(NC(=O)CCS(C)(=O)=O)CC1 ZINC000952984948 685601968 /nfs/dbraw/zinc/60/19/68/685601968.db2.gz PAHFYHSAWNIEND-UHFFFAOYSA-N 0 0 308.469 0.365 50 0 DCAARN COc1cccc(NC(=O)NC[C@H](C)N2CC[NH+](C)CC2)n1 ZINC000952995424 685603467 /nfs/dbraw/zinc/60/34/67/685603467.db2.gz LSRIUOGDJUUZAW-LBPRGKRZSA-N 0 0 307.398 0.848 50 0 DCAARN CS(=O)(=O)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000012711789 685048088 /nfs/dbraw/zinc/04/80/88/685048088.db2.gz IRPUGKKNGCEDBK-GFCCVEGCSA-N 0 0 300.355 0.518 50 0 DCAARN Cc1nc(C(=O)N2CCc3nc(C)n(C)c(=O)c3CC2)c[nH]1 ZINC000065526519 685064619 /nfs/dbraw/zinc/06/46/19/685064619.db2.gz XQAZPADJIADVTH-UHFFFAOYSA-N 0 0 301.350 0.361 50 0 DCAARN CC(C)CN1C[C@H](C(=O)N2CCC[C@@H](C(=O)N(C)C)C2)CC1=O ZINC000069022731 685072420 /nfs/dbraw/zinc/07/24/20/685072420.db2.gz VCBSUQYHSOOADX-ZIAGYGMSSA-N 0 0 323.437 0.818 50 0 DCAARN NC(=O)c1cnc(C(=O)N[C@H](CO)CC2CCCCC2)cn1 ZINC001772704610 1157843056 /nfs/dbraw/zinc/84/30/56/1157843056.db2.gz JTSYOFBCFOXMEW-NSHDSACASA-N 0 0 306.366 0.637 50 0 DCAARN C[C@H]1C(=O)N2CCC[C@H]2CN1C(=O)CCc1ccc(=O)[nH]n1 ZINC001772706952 1157844830 /nfs/dbraw/zinc/84/48/30/1157844830.db2.gz YNYVTAWUEQKMNO-JQWIXIFHSA-N 0 0 304.350 0.337 50 0 DCAARN O=c1cc(CN2CCC([C@H](O)CO)CC2)nc2sccn21 ZINC001772711946 1157848307 /nfs/dbraw/zinc/84/83/07/1157848307.db2.gz YYQKHQQRKDXYPU-GFCCVEGCSA-N 0 0 309.391 0.321 50 0 DCAARN Cc1nccc(N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)n1 ZINC001704307828 1179967935 /nfs/dbraw/zinc/96/79/35/1179967935.db2.gz FDYMMCYVPYACPG-QWRGUYRKSA-N 0 0 300.384 0.103 50 0 DCAARN OC[C@]1(O)CCOC2(CCN(Cc3nc(C4CC4)no3)CC2)C1 ZINC001704324643 1179972686 /nfs/dbraw/zinc/97/26/86/1179972686.db2.gz BVAXPBCUXQBDKO-HNNXBMFYSA-N 0 0 323.393 0.815 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3csc(N)n3)C[C@H]2O)[nH]n1 ZINC001704339565 1179979096 /nfs/dbraw/zinc/97/90/96/1179979096.db2.gz MKXHUSHERRLJII-LDYMZIIASA-N 0 0 307.379 0.432 50 0 DCAARN CN(C[C@H]1CC(=O)N(C)C1)c1cncc(C(=O)N2CCCC2)n1 ZINC001704344932 1179980439 /nfs/dbraw/zinc/98/04/39/1179980439.db2.gz QPQDOAXAFYGBPY-GFCCVEGCSA-N 0 0 317.393 0.627 50 0 DCAARN Cc1nccn1CC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 ZINC001704349083 1179982027 /nfs/dbraw/zinc/98/20/27/1179982027.db2.gz DXSQCCVVXXTOQK-HUUCEWRRSA-N 0 0 300.362 0.960 50 0 DCAARN Cc1cc(CC(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)on1 ZINC001704354102 1179982459 /nfs/dbraw/zinc/98/24/59/1179982459.db2.gz RRCAXJKGRBUYIA-BXUZGUMPSA-N 0 0 302.334 0.378 50 0 DCAARN CO[C@H]1C(=O)N(CC2CC2)C12CCN(S(C)(=O)=O)CC2 ZINC000581801643 747972705 /nfs/dbraw/zinc/97/27/05/747972705.db2.gz ADQCXCMINOXMNU-NSHDSACASA-N 0 0 302.396 0.048 50 0 DCAARN O=C([C@@H]1COc2ccccc2O1)N1CC(Nc2cnccn2)C1 ZINC000675007589 748024963 /nfs/dbraw/zinc/02/49/63/748024963.db2.gz PZBQEZACARMGKB-AWEZNQCLSA-N 0 0 312.329 0.939 50 0 DCAARN CO[C@H]1C[C@H]2CN(S(=O)(=O)c3cccs3)CC(=O)N2C1 ZINC000675016990 748026660 /nfs/dbraw/zinc/02/66/60/748026660.db2.gz JLMOKKPINMPOSB-UWVGGRQHSA-N 0 0 316.404 0.368 50 0 DCAARN CNC(=O)CCNC(=O)c1nnn(-c2ccc(C)cc2F)c1C ZINC000675027398 748029451 /nfs/dbraw/zinc/02/94/51/748029451.db2.gz IJFFDKWXQHSTHA-UHFFFAOYSA-N 0 0 319.340 0.889 50 0 DCAARN CCc1nccn1CCC(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000823557128 758254062 /nfs/dbraw/zinc/25/40/62/758254062.db2.gz DCNOGKUKRWZSDI-UHFFFAOYSA-N 0 0 317.397 0.298 50 0 DCAARN COc1cc(S(=O)(=O)NCCc2ncnn2C)c(C)cc1C ZINC000824577647 758779528 /nfs/dbraw/zinc/77/95/28/758779528.db2.gz QKJXBYVJHHOFEA-UHFFFAOYSA-N 0 0 324.406 0.962 50 0 DCAARN Cc1ccc(S(=O)(=O)NC[C@H]2CN(C)C(=O)CO2)c(F)c1 ZINC000825159717 758798329 /nfs/dbraw/zinc/79/83/29/758798329.db2.gz OVSULQFKKZLLSN-JTQLQIEISA-N 0 0 316.354 0.270 50 0 DCAARN C[C@@H](Cn1cccn1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000827627980 758871906 /nfs/dbraw/zinc/87/19/06/758871906.db2.gz FFFYTOFKFXBXPL-NSHDSACASA-N 0 0 322.390 0.483 50 0 DCAARN NC(=O)Cc1n[nH]c(C2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000827720760 758875241 /nfs/dbraw/zinc/87/52/41/758875241.db2.gz KJECVRVVPYZXHQ-UHFFFAOYSA-N 0 0 305.382 0.729 50 0 DCAARN O=C(Cn1cccn1)NCC1CCN(Cc2cc[nH]n2)CC1 ZINC000827861387 758894644 /nfs/dbraw/zinc/89/46/44/758894644.db2.gz GWCLRNWRAFDJOI-UHFFFAOYSA-N 0 0 302.382 0.635 50 0 DCAARN CN(C)S(=O)(=O)NC1CCN(C(=O)N2CCCC2)CC1 ZINC000827931216 758902284 /nfs/dbraw/zinc/90/22/84/758902284.db2.gz WNARGGHXXDLMQN-UHFFFAOYSA-N 0 0 304.416 0.063 50 0 DCAARN CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)CCCS(N)(=O)=O ZINC000827984550 758905916 /nfs/dbraw/zinc/90/59/16/758905916.db2.gz YOSDTODOXKJNTD-LLVKDONJSA-N 0 0 316.427 0.483 50 0 DCAARN O=S(=O)(NCCc1noc(C(F)(F)F)n1)N1CCCC1 ZINC000828388403 759002042 /nfs/dbraw/zinc/00/20/42/759002042.db2.gz CWKHIEXWXJRMCB-UHFFFAOYSA-N 0 0 314.289 0.561 50 0 DCAARN CCN(CC)S(=O)(=O)N1CCc2c(c(CO)nn2CC)C1 ZINC000828837196 759111958 /nfs/dbraw/zinc/11/19/58/759111958.db2.gz AOSWUHVMQVOPPC-UHFFFAOYSA-N 0 0 316.427 0.340 50 0 DCAARN CCN1C(=O)CCN(C(=O)c2cnccn2)CC12CCOCC2 ZINC000581801849 760251276 /nfs/dbraw/zinc/25/12/76/760251276.db2.gz RPUQEESCAVOWRH-UHFFFAOYSA-N 0 0 318.377 0.720 50 0 DCAARN Cn1cnnc1-c1nn(C)c2c1CN(C(=O)[C@H]1CCCO1)CC2 ZINC000581790750 760252175 /nfs/dbraw/zinc/25/21/75/760252175.db2.gz IHBCQLNXXPQWOI-GFCCVEGCSA-N 0 0 316.365 0.279 50 0 DCAARN O=c1ccc(C2CC2)nn1CC1CN(c2ccc3nncn3n2)C1 ZINC000585603253 768082140 /nfs/dbraw/zinc/08/21/40/768082140.db2.gz MGZNGVYERAZVHV-UHFFFAOYSA-N 0 0 323.360 0.695 50 0 DCAARN O=S(=O)(CC=C(Cl)Cl)N[C@@H]1CCCS(=O)(=O)C1 ZINC000585115820 766285025 /nfs/dbraw/zinc/28/50/25/766285025.db2.gz UPJBNPWVGLPLLQ-SSDOTTSWSA-N 0 0 322.235 0.802 50 0 DCAARN O=C(NCCCCO)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC000585122228 766287355 /nfs/dbraw/zinc/28/73/55/766287355.db2.gz RYAUCIJMMXPAKH-AAEUAGOBSA-N 0 0 321.295 0.686 50 0 DCAARN CCCCCOCC(=O)N1CCN(CC(F)(F)CO)CC1 ZINC000585126999 766289118 /nfs/dbraw/zinc/28/91/18/766289118.db2.gz MYXLWLZFIROLEN-UHFFFAOYSA-N 0 0 308.369 0.965 50 0 DCAARN Cc1nc2ccc(-c3nc(CC(N)=O)nn3CCO)cc2[nH]1 ZINC000952870320 768926255 /nfs/dbraw/zinc/92/62/55/768926255.db2.gz VYJXEXNGDYILJJ-UHFFFAOYSA-N 0 0 300.322 0.150 50 0 DCAARN CO[C@@H](CS(=O)(=O)Nc1ccc(OCCO)nc1)C(C)C ZINC000952878556 768942095 /nfs/dbraw/zinc/94/20/95/768942095.db2.gz ARFPIRFZPMPTBJ-LBPRGKRZSA-N 0 0 318.395 0.865 50 0 DCAARN C[C@@]1(CO)C[C@H](O)CN1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000864096492 775754399 /nfs/dbraw/zinc/75/43/99/775754399.db2.gz AWVODLIYGPVBKH-NHYWBVRUSA-N 0 0 308.334 0.807 50 0 DCAARN CN(Cc1cc[nH]n1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC001529111973 1014496702 /nfs/dbraw/zinc/49/67/02/1014496702.db2.gz CYDMVMFHROXDQD-CABCVRRESA-N 0 0 314.345 0.624 50 0 DCAARN O=C(CCn1cnnc1)N[C@@H]1COC[C@H]1Cc1ccncc1 ZINC001529110032 1014497295 /nfs/dbraw/zinc/49/72/95/1014497295.db2.gz JDWLNTCKGRRNJY-ZIAGYGMSSA-N 0 0 301.350 0.437 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)Cc3ccncc3)C[C@@H]2O)on1 ZINC001529144215 1014504639 /nfs/dbraw/zinc/50/46/39/1014504639.db2.gz SZLDXWYYRUPVBT-HIFRSBDPSA-N 0 0 301.346 0.983 50 0 DCAARN CC1(C(=O)N2CCCN(C(=O)CNC(N)=O)CC2)CCCC1 ZINC001529192483 1014517197 /nfs/dbraw/zinc/51/71/97/1014517197.db2.gz WECRNCMUEQSPEL-UHFFFAOYSA-N 0 0 310.398 0.296 50 0 DCAARN Cn1cnnc1SCC(=O)NCc1noc(-c2ccco2)n1 ZINC001506397818 1017253807 /nfs/dbraw/zinc/25/38/07/1017253807.db2.gz IIKILKFKCSWDEY-UHFFFAOYSA-N 0 0 320.334 0.867 50 0 DCAARN C[C@@H](C(=O)NCCc1c[nH]cn1)n1nnc2ccccc2c1=O ZINC000095480229 185373522 /nfs/dbraw/zinc/37/35/22/185373522.db2.gz LUHZVULGORVFIX-JTQLQIEISA-N 0 0 312.333 0.435 50 0 DCAARN CCn1ccnc1[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC000095498714 185374399 /nfs/dbraw/zinc/37/43/99/185374399.db2.gz JERUZSJYZYQUNR-CQSZACIVSA-N 0 0 306.410 0.941 50 0 DCAARN CCCN1C(=O)N[C@@H](Cc2nc(-c3ccc(C)nn3)no2)C1=O ZINC000095508904 185375937 /nfs/dbraw/zinc/37/59/37/185375937.db2.gz DLAOTOJMEWPZOI-JTQLQIEISA-N 0 0 316.321 0.708 50 0 DCAARN O=C(NCC[C@@H](O)C1CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000077108363 185109192 /nfs/dbraw/zinc/10/91/92/185109192.db2.gz VYVFIYXKUAWNHS-LLVKDONJSA-N 0 0 306.318 0.631 50 0 DCAARN NC(=O)c1cc([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)n[nH]1 ZINC000078901593 185126179 /nfs/dbraw/zinc/12/61/79/185126179.db2.gz LLCISYMEXAOGHX-GHMZBOCLSA-N 0 0 306.366 0.784 50 0 DCAARN CCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000078933812 185131463 /nfs/dbraw/zinc/13/14/63/185131463.db2.gz DEJSUEMXYSTDSN-CHWSQXEVSA-N 0 0 307.394 0.974 50 0 DCAARN CNS(=O)(=O)C[C@H]1CCCN1C(=O)CCc1ccco1 ZINC000079019009 185146889 /nfs/dbraw/zinc/14/68/89/185146889.db2.gz DXVCDMULQPVIKV-LLVKDONJSA-N 0 0 300.380 0.752 50 0 DCAARN CCN1CCN(C(=O)c2cc(NC(=O)C(C)C)n(C)n2)CC1 ZINC000096817323 185388738 /nfs/dbraw/zinc/38/87/38/185388738.db2.gz NTKLHKDFJSXXLG-UHFFFAOYSA-N 0 0 307.398 0.792 50 0 DCAARN NC(=O)NC(=O)CCNc1ccc2nnc(C(F)(F)F)n2n1 ZINC000079099194 185158194 /nfs/dbraw/zinc/15/81/94/185158194.db2.gz HAMBHZJQEGTHJU-UHFFFAOYSA-N 0 0 317.231 0.140 50 0 DCAARN NC(=O)C1CCN([C@H]2CC(=O)N(c3cccc(F)c3)C2=O)CC1 ZINC000096901871 185390384 /nfs/dbraw/zinc/39/03/84/185390384.db2.gz HDXHAEYBVYIETN-ZDUSSCGKSA-N 0 0 319.336 0.655 50 0 DCAARN O=S(=O)(c1ccc2c(c1)CCC2)N1CCN2CCOC[C@H]2C1 ZINC000328587338 231232065 /nfs/dbraw/zinc/23/20/65/231232065.db2.gz DTPCQPVCWMXQGE-OAHLLOKOSA-N 0 0 322.430 0.880 50 0 DCAARN CN(C)C(=O)N1CCN(C(=O)N(C)C)[C@H](c2cnn(C)c2)C1 ZINC000328587266 231232354 /nfs/dbraw/zinc/23/23/54/231232354.db2.gz RSQMIQVCCUGGGE-LBPRGKRZSA-N 0 0 308.386 0.442 50 0 DCAARN CO[C@H]1C[C@H](C(=O)N(C)CC2CCC2)N(S(C)(=O)=O)C1 ZINC000328588120 231232518 /nfs/dbraw/zinc/23/25/18/231232518.db2.gz VOABTDNHLLXXTG-NWDGAFQWSA-N 0 0 304.412 0.294 50 0 DCAARN CN(C)c1ccc(O[C@H]2CCN(C(=O)[C@H]3CCOC3)C2)nn1 ZINC000225448204 201710208 /nfs/dbraw/zinc/71/02/08/201710208.db2.gz DRGYBOFASSFDJT-RYUDHWBXSA-N 0 0 306.366 0.559 50 0 DCAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CNC(=O)N1 ZINC000089969174 185272310 /nfs/dbraw/zinc/27/23/10/185272310.db2.gz SCZDXZVNTPUWPS-GHMZBOCLSA-N 0 0 305.334 0.356 50 0 DCAARN COCC(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1 ZINC000090607774 185306542 /nfs/dbraw/zinc/30/65/42/185306542.db2.gz DKTVOXAOMGSVKK-UHFFFAOYSA-N 0 0 301.350 0.562 50 0 DCAARN COC(=O)CN1CCCn2nc(CCC(=O)NC3CC3)cc2C1 ZINC000082120305 192358541 /nfs/dbraw/zinc/35/85/41/192358541.db2.gz PWAYHNQXWQWEKE-UHFFFAOYSA-N 0 0 320.393 0.473 50 0 DCAARN COC(CN1CC2=C(C1=O)[C@H](c1ccccc1)NC(=O)N2)OC ZINC000012345428 190635217 /nfs/dbraw/zinc/63/52/17/190635217.db2.gz FFGQZTZAFOJGTF-AWEZNQCLSA-N 0 0 317.345 0.756 50 0 DCAARN O=C([C@H]1CNCC(=O)N1)N1CC(Oc2ccccc2Cl)C1 ZINC000095390572 185351428 /nfs/dbraw/zinc/35/14/28/185351428.db2.gz SRDIVRHRKREWSN-LLVKDONJSA-N 0 0 309.753 0.018 50 0 DCAARN O=C(CCNC(=O)CN1CCOCC1)NCc1ccccc1 ZINC000095453122 185369585 /nfs/dbraw/zinc/36/95/85/185369585.db2.gz JZPQHXLKAPJUJZ-UHFFFAOYSA-N 0 0 305.378 0.141 50 0 DCAARN Cc1nc(C(=O)NCc2ncn(C)n2)nn1-c1ccc(F)cc1 ZINC000095454083 185369896 /nfs/dbraw/zinc/36/98/96/185369896.db2.gz MQXMXZSZOFQTDD-UHFFFAOYSA-N 0 0 315.312 0.773 50 0 DCAARN COCCNC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000032124343 190657907 /nfs/dbraw/zinc/65/79/07/190657907.db2.gz OYKJXALJBRGNPX-LBPRGKRZSA-N 0 0 305.334 0.929 50 0 biogenic DCAARN Cn1cc(CC(=O)N[C@H]2C[C@H](CO)[C@@H](O)C2)c2ccccc21 ZINC000107286295 185474358 /nfs/dbraw/zinc/47/43/58/185474358.db2.gz DWANSIOHSGWLFP-WWGRRREGSA-N 0 0 302.374 0.969 50 0 DCAARN COc1ccc(-n2cccn2)c(CN2CC[C@@]([NH3+])(C(=O)[O-])C2)c1 ZINC000067983183 190741349 /nfs/dbraw/zinc/74/13/49/190741349.db2.gz HYWXNJICLUCTBX-INIZCTEOSA-N 0 0 316.361 0.869 50 0 DCAARN CC(C)(C)c1nc(CN2CCO[C@@H](Cn3cncn3)C2)no1 ZINC000069968821 190843713 /nfs/dbraw/zinc/84/37/13/190843713.db2.gz FAFYDLFZXSSHBM-LLVKDONJSA-N 0 0 306.370 0.860 50 0 DCAARN Cn1c2cn(-c3ccc4c(c3)OCCO4)cc2c(=O)n(C)c1=O ZINC000004296109 282606917 /nfs/dbraw/zinc/60/69/17/282606917.db2.gz ZRZBLUDIIPVOCK-UHFFFAOYSA-N 0 0 313.313 0.799 50 0 DCAARN CNS(=O)(=O)CC(=O)N(C1CC1)C1Cc2ccccc2C1 ZINC000083606975 192375958 /nfs/dbraw/zinc/37/59/58/192375958.db2.gz SCGORBDQGXYEEL-UHFFFAOYSA-N 0 0 308.403 0.694 50 0 DCAARN Cc1cnn([C@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)c1 ZINC000071185767 190939053 /nfs/dbraw/zinc/93/90/53/190939053.db2.gz IZLVMLUUVGFZRT-LBPRGKRZSA-N 0 0 303.366 0.963 50 0 DCAARN O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1C[C@@H](F)C[C@H]1CO ZINC000331371121 233210029 /nfs/dbraw/zinc/21/00/29/233210029.db2.gz IOCMTYXDEJFYJV-KKUMJFAQSA-N 0 0 320.364 0.966 50 0 DCAARN CC(C)c1cc(C(=O)N2CCNC[C@H]2C(=O)N2CCCC2)no1 ZINC000072131010 191044556 /nfs/dbraw/zinc/04/45/56/191044556.db2.gz ITPPDSMGQMQKSB-ZDUSSCGKSA-N 0 0 320.393 0.834 50 0 DCAARN COC1CCN(S(=O)(=O)N2CC(c3ccccn3)C2)CC1 ZINC000072148711 191054677 /nfs/dbraw/zinc/05/46/77/191054677.db2.gz PNZQUBJOGRLHFH-UHFFFAOYSA-N 0 0 311.407 0.836 50 0 DCAARN O=C(Cn1cc2ccccc2n1)N1CCC[C@](O)(CO)CC1 ZINC000072169281 191067625 /nfs/dbraw/zinc/06/76/25/191067625.db2.gz OYGJSKFQANLCNM-MRXNPFEDSA-N 0 0 303.362 0.772 50 0 DCAARN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCO[C@@H](C)C1 ZINC000171012638 197865787 /nfs/dbraw/zinc/86/57/87/197865787.db2.gz IKLNENLIJXNFIN-NSHDSACASA-N 0 0 312.391 0.893 50 0 DCAARN COc1ccc([C@H]2[C@@H](C(=O)NCCO)CCC(=O)N2C)cc1 ZINC000072241997 191084655 /nfs/dbraw/zinc/08/46/55/191084655.db2.gz DSXYKMVGHXBEMK-ZFWWWQNUSA-N 0 0 306.362 0.713 50 0 DCAARN O=C(CN1CCCCCC1=O)N1CCC[C@@H](n2cncn2)C1 ZINC000072272252 191094135 /nfs/dbraw/zinc/09/41/35/191094135.db2.gz CNIAXIZZULKDQE-CYBMUJFWSA-N 0 0 305.382 0.844 50 0 DCAARN Cn1cc(-c2noc(-c3ccc(CNS(C)(=O)=O)o3)n2)cn1 ZINC000084734843 192463416 /nfs/dbraw/zinc/46/34/16/192463416.db2.gz JNHXOXREOOVPDV-UHFFFAOYSA-N 0 0 323.334 0.779 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1N1CCOCC1 ZINC000072300425 191113760 /nfs/dbraw/zinc/11/37/60/191113760.db2.gz KEJLBYXBBNYFPE-MGPQQGTHSA-N 0 0 309.410 0.034 50 0 DCAARN NC(=O)C1=NO[C@@H](CNCc2cnn(Cc3ccccc3)c2)C1 ZINC000225601319 186281927 /nfs/dbraw/zinc/28/19/27/186281927.db2.gz BGWYDNQRHCHQOP-CQSZACIVSA-N 0 0 313.361 0.651 50 0 DCAARN CCCc1occc1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC ZINC000225605784 186282668 /nfs/dbraw/zinc/28/26/68/186282668.db2.gz CDHSHYOMZTZRIS-LBPRGKRZSA-N 0 0 321.377 0.699 50 0 DCAARN CCO[C@@H]1CCCN(Cc2nccn2S(=O)(=O)N(C)C)C1 ZINC000225637339 186285593 /nfs/dbraw/zinc/28/55/93/186285593.db2.gz GEEXARSNUCUOIN-GFCCVEGCSA-N 0 0 316.427 0.539 50 0 DCAARN C[S@@](=O)C1(CNC(=O)c2cn(-c3ccccc3)nn2)CC1 ZINC000225673305 186288369 /nfs/dbraw/zinc/28/83/69/186288369.db2.gz ZNFXHXPRBIHLOC-OAQYLSRUSA-N 0 0 304.375 0.908 50 0 DCAARN Cc1cc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)on1 ZINC000171905427 198005236 /nfs/dbraw/zinc/00/52/36/198005236.db2.gz YNHGIUHYUHWRHX-CYBMUJFWSA-N 0 0 305.338 0.790 50 0 DCAARN COc1ncccc1NC(=O)C[C@@H](C[NH+]1CCOCC1)C(=O)[O-] ZINC000072403599 191152068 /nfs/dbraw/zinc/15/20/68/191152068.db2.gz FVZDFSMNXIDTIA-NSHDSACASA-N 0 0 323.349 0.452 50 0 DCAARN COCCC(=O)N1CCC[C@@H](c2nnc(CN(C)C)n2C)C1 ZINC000072425574 191159916 /nfs/dbraw/zinc/15/99/16/191159916.db2.gz BLJOMMUOHNVIHS-GFCCVEGCSA-N 0 0 309.414 0.619 50 0 DCAARN Cc1noc(C)c1CCCNC(=O)[C@H]1NCCc2nc[nH]c21 ZINC000072427811 191162023 /nfs/dbraw/zinc/16/20/23/191162023.db2.gz YDRAZMGGNCIZKM-AWEZNQCLSA-N 0 0 303.366 0.950 50 0 DCAARN Cn1ncc(CN2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1C1CC1 ZINC000072435885 191165308 /nfs/dbraw/zinc/16/53/08/191165308.db2.gz AGRVBCUGNKQSTR-KGLIPLIRSA-N 0 0 324.450 0.211 50 0 DCAARN NC(=O)C[C@H]1COCCN1C(=O)c1scc2c1OCCO2 ZINC000072456916 191173343 /nfs/dbraw/zinc/17/33/43/191173343.db2.gz JDGXXCUCCDORGL-QMMMGPOBSA-N 0 0 312.347 0.236 50 0 DCAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000189338 180720101 /nfs/dbraw/zinc/72/01/01/180720101.db2.gz AECFVTDWFPRGKJ-UHFFFAOYSA-N 0 0 300.336 0.886 50 0 DCAARN CCOc1ccccc1/C=c1/sc2nc(=O)c(C)nn2c1=O ZINC000000199691 180722746 /nfs/dbraw/zinc/72/27/46/180722746.db2.gz OLNFKQMJBJKRFN-XYOKQWHBSA-N 0 0 315.354 0.766 50 0 DCAARN Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccncc1 ZINC000000422617 180784742 /nfs/dbraw/zinc/78/47/42/180784742.db2.gz VCHKGIRIYTWFBQ-UHFFFAOYSA-N 0 0 319.390 0.828 50 0 DCAARN CCOC(=O)C1=C[C@@]2(CC(=O)N(c3cccc(C)c3)C2=O)NN1 ZINC000000547399 180819232 /nfs/dbraw/zinc/81/92/32/180819232.db2.gz DVRNOHVFGDDCGH-INIZCTEOSA-N 0 0 315.329 0.910 50 0 DCAARN CC(=O)Nc1cccc(NC(=O)CSc2nnnn2C)c1 ZINC000001125794 180847298 /nfs/dbraw/zinc/84/72/98/180847298.db2.gz VMVSFZQWZSVAOE-UHFFFAOYSA-N 0 0 306.351 0.899 50 0 DCAARN CC(=O)Nc1cccc(C(=O)OCC(=O)N2CCOCC2)c1 ZINC000003461761 181023729 /nfs/dbraw/zinc/02/37/29/181023729.db2.gz OGTZVIAQXFPSEU-UHFFFAOYSA-N 0 0 306.318 0.661 50 0 DCAARN Nc1nccnc1C(=O)OCC(=O)NCc1ccc(F)cc1 ZINC000003569624 181036302 /nfs/dbraw/zinc/03/63/02/181036302.db2.gz ASAHPKOKVVUDQK-UHFFFAOYSA-N 0 0 304.281 0.671 50 0 DCAARN CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1ccccc1C ZINC000004035447 181065177 /nfs/dbraw/zinc/06/51/77/181065177.db2.gz UHRDHVTYMAPEJS-CYBMUJFWSA-N 0 0 312.391 0.873 50 0 DCAARN COCCn1c(SCC(N)=O)nc2c(c1=O)S[C@H](C)C2 ZINC000004108061 181073989 /nfs/dbraw/zinc/07/39/89/181073989.db2.gz VEEDSIIMGREDBU-SSDOTTSWSA-N 0 0 315.420 0.504 50 0 DCAARN O=[N+]([O-])C(C(SCCO)=C(Cl)Cl)=C1NCCN1 ZINC000004301275 181094437 /nfs/dbraw/zinc/09/44/37/181094437.db2.gz ZYGPJTKBHYKSLZ-UHFFFAOYSA-N 0 0 300.167 0.997 50 0 DCAARN CCc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)cc1 ZINC000004337908 181099994 /nfs/dbraw/zinc/09/99/94/181099994.db2.gz QTPNDVHMXHRTQJ-UHFFFAOYSA-N 0 0 319.390 0.954 50 0 DCAARN O=C(NCc1cccnc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000004450761 181110186 /nfs/dbraw/zinc/11/01/86/181110186.db2.gz YETGVLPLXPHAIG-UHFFFAOYSA-N 0 0 313.313 0.743 50 0 DCAARN COCCNC(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000004373464 181103495 /nfs/dbraw/zinc/10/34/95/181103495.db2.gz RKFVSPMLBLISDZ-NSHDSACASA-N 0 0 307.350 0.746 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000095452809 295894216 /nfs/dbraw/zinc/89/42/16/295894216.db2.gz YBNVCADSSYOUMH-NWDGAFQWSA-N 0 0 312.395 0.833 50 0 DCAARN CCc1ccc(N(CC(=O)NCCOC)S(C)(=O)=O)cc1 ZINC000004873181 181166999 /nfs/dbraw/zinc/16/69/99/181166999.db2.gz WDZLOAVMTMQQEK-UHFFFAOYSA-N 0 0 314.407 0.778 50 0 DCAARN CS(=O)(=O)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O ZINC000075165405 191437649 /nfs/dbraw/zinc/43/76/49/191437649.db2.gz FIYSSQSAFILSLJ-UHFFFAOYSA-N 0 0 322.390 0.461 50 0 DCAARN Cn1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O ZINC000005000051 181188189 /nfs/dbraw/zinc/18/81/89/181188189.db2.gz BNYOEOCHYIINQL-UHFFFAOYSA-N 0 0 313.313 0.610 50 0 DCAARN Nc1nccnc1C(=O)OCC(=O)N1CCc2ccccc2C1 ZINC000005040507 181195369 /nfs/dbraw/zinc/19/53/69/181195369.db2.gz ZOCVRZRGJUGIMR-UHFFFAOYSA-N 0 0 312.329 0.801 50 0 DCAARN CC(=O)N[C@H](C(=O)N1CCN(c2ccccn2)CC1)C(C)C ZINC000005062500 181199107 /nfs/dbraw/zinc/19/91/07/181199107.db2.gz ZUAUOQSGPRLCLS-HNNXBMFYSA-N 0 0 304.394 0.891 50 0 DCAARN CC[C@@H](CO)NC(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000005190773 181215171 /nfs/dbraw/zinc/21/51/71/181215171.db2.gz WJVWWFMRJVWPMP-RYUDHWBXSA-N 0 0 321.377 0.871 50 0 DCAARN C[C@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)NC1CC1 ZINC000005534654 181254398 /nfs/dbraw/zinc/25/43/98/181254398.db2.gz WMIJMFZWJGLTDJ-VIFPVBQESA-N 0 0 311.359 0.914 50 0 DCAARN COc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@H](O)[C@@H]4O)[C@@H]3C2=O)cc1 ZINC000005513771 181251970 /nfs/dbraw/zinc/25/19/70/181251970.db2.gz VQUYMXMZIHBLKK-LRRLDJKKSA-N 0 0 303.314 0.172 50 0 DCAARN COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1cc(C)cc(F)c1 ZINC000080740909 192187231 /nfs/dbraw/zinc/18/72/31/192187231.db2.gz PBELZJFWPVDBBP-JTQLQIEISA-N 0 0 318.370 0.645 50 0 DCAARN NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000005786088 181283759 /nfs/dbraw/zinc/28/37/59/181283759.db2.gz LUIFZAATWJZOSQ-JTQLQIEISA-N 0 0 310.737 0.717 50 0 DCAARN O=C(N[C@@H]1C[C@@H](O)[C@H](CO)C1)c1cc(-c2ccccc2)n[nH]1 ZINC000085468452 192511579 /nfs/dbraw/zinc/51/15/79/192511579.db2.gz UZYPTTZDNVZLMP-SLEUVZQESA-N 0 0 301.346 0.938 50 0 DCAARN NC(=O)C(NC(=O)CCc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000069771654 283279508 /nfs/dbraw/zinc/27/95/08/283279508.db2.gz UPEDSFVTWXNADS-UHFFFAOYSA-N 0 0 317.267 0.093 50 0 DCAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)C)[C@@H](C)O)cc1 ZINC000180905352 199226368 /nfs/dbraw/zinc/22/63/68/199226368.db2.gz NBCHXUQJCKSUAI-PWSUYJOCSA-N 0 0 300.380 0.111 50 0 DCAARN CC(=O)N1CCC(C(=O)OCC(N)=O)(c2ccccc2)CC1 ZINC000005938406 181298357 /nfs/dbraw/zinc/29/83/57/181298357.db2.gz ZEQULLMXMCSUDC-UHFFFAOYSA-N 0 0 304.346 0.595 50 0 DCAARN O=S1(=O)C[C@H](O)[C@@H](N(Cc2ccco2)Cc2ccccn2)C1 ZINC000089268108 192753639 /nfs/dbraw/zinc/75/36/39/192753639.db2.gz NOADNOYAQSYCAU-GJZGRUSLSA-N 0 0 322.386 0.835 50 0 DCAARN Cc1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000154121008 237022055 /nfs/dbraw/zinc/02/20/55/237022055.db2.gz JXSMBUGCHPPXEF-RKDXNWHRSA-N 0 0 317.349 0.155 50 0 DCAARN Cc1cc(C)c(CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)c(=O)[nH]1 ZINC000089568534 192818796 /nfs/dbraw/zinc/81/87/96/192818796.db2.gz REMZCOAKMZZQES-LBPRGKRZSA-N 0 0 305.378 0.865 50 0 DCAARN Cc1nc2ccccn2c1CSc1nnc(C)c(=O)n1N ZINC000089547728 192814397 /nfs/dbraw/zinc/81/43/97/192814397.db2.gz IEZHOMWCOUCCNG-UHFFFAOYSA-N 0 0 302.363 0.909 50 0 DCAARN C[C@H](C(=O)[O-])[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000237543842 202277435 /nfs/dbraw/zinc/27/74/35/202277435.db2.gz PMTWYNFIQLTFLP-MGPQQGTHSA-N 0 0 311.426 0.582 50 0 DCAARN Cn1c(CCNC(=O)[C@H]2COCCN2)nc2cc(F)ccc21 ZINC000237737460 202342846 /nfs/dbraw/zinc/34/28/46/202342846.db2.gz NOJZHRZAXASWDY-GFCCVEGCSA-N 0 0 306.341 0.360 50 0 DCAARN C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000042535746 296008921 /nfs/dbraw/zinc/00/89/21/296008921.db2.gz JESBOMOVLKLFAM-RYUDHWBXSA-N 0 0 314.411 0.202 50 0 DCAARN O=C(CC1OCCCO1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000241653346 202467460 /nfs/dbraw/zinc/46/74/60/202467460.db2.gz PUJNRTZYLCBQNC-LBPRGKRZSA-N 0 0 306.366 0.715 50 0 DCAARN Cc1cccc([C@@H]2C[C@@H]2[C@H](C)NC(=O)NC(C(N)=O)C(N)=O)c1 ZINC000240465893 238157915 /nfs/dbraw/zinc/15/79/15/238157915.db2.gz GBEBFFXJHBVCIL-WCQGTBRESA-N 0 0 318.377 0.125 50 0 DCAARN C[C@@H]1CN(C)CCN1C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000089938597 192913337 /nfs/dbraw/zinc/91/33/37/192913337.db2.gz IQOHBTLDNUBZHM-SNVBAGLBSA-N 0 0 300.380 0.600 50 0 DCAARN CO[C@H](C)CS(=O)(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195221183 201360674 /nfs/dbraw/zinc/36/06/74/201360674.db2.gz GYDQOTRWWFVVRP-ZYHUDNBSSA-N 0 0 317.411 0.997 50 0 DCAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ncc[nH]1 ZINC000409413266 239276431 /nfs/dbraw/zinc/27/64/31/239276431.db2.gz IDDTVPBJNMLVHW-NSHDSACASA-N 0 0 313.317 0.879 50 0 biogenic DCAARN COC(=O)CNC(=O)COC(=O)COc1ccc(Cl)cc1 ZINC000006579150 181356253 /nfs/dbraw/zinc/35/62/53/181356253.db2.gz IUTXPXXCHWJKKL-UHFFFAOYSA-N 0 0 315.709 0.551 50 0 DCAARN Cc1ccc(C(=O)[C@@H]2C=C([O-])NC(N3CCOCC3)=[NH+]2)cc1 ZINC000006661203 181367385 /nfs/dbraw/zinc/36/73/85/181367385.db2.gz GXGMHFWDXOKRLH-ZDUSSCGKSA-N 0 0 301.346 0.754 50 0 DCAARN Cn1c(=O)c2sccc2n(CC(=O)NC[C@@H]2CCCO2)c1=O ZINC000006679513 181370394 /nfs/dbraw/zinc/37/03/94/181370394.db2.gz DMKRCNIHZOUCMW-VIFPVBQESA-N 0 0 323.374 0.057 50 0 DCAARN COC(=O)C1(C)CN(C(=O)c2cnc3cc(C)nn3c2C)C1 ZINC000425138487 240290626 /nfs/dbraw/zinc/29/06/26/240290626.db2.gz HUXCXAODFSXXDE-UHFFFAOYSA-N 0 0 302.334 0.981 50 0 DCAARN CCn1cc(C2=NO[C@H](C(=O)NC[C@@H]3CCCO3)C2)c(C)n1 ZINC000006804899 181391934 /nfs/dbraw/zinc/39/19/34/181391934.db2.gz HEOVTMGUVIZSNV-FZMZJTMJSA-N 0 0 306.366 1.000 50 0 DCAARN Cc1ccc(Cn2c(=O)c3cccnc3n(CC(N)=O)c2=O)cc1 ZINC000006805110 181391754 /nfs/dbraw/zinc/39/17/54/181391754.db2.gz QJEKNNXORGTQHB-UHFFFAOYSA-N 0 0 324.340 0.400 50 0 DCAARN O=C(COc1ccc(F)cc1F)NCCN1CCOC1=O ZINC000091304917 193036865 /nfs/dbraw/zinc/03/68/65/193036865.db2.gz ANGIMNBQAPAJPJ-UHFFFAOYSA-N 0 0 300.261 0.912 50 0 DCAARN CCN1C[C@@H](C(=O)NCc2nnc3n2CCCC3)CCC1=O ZINC000091320211 193038421 /nfs/dbraw/zinc/03/84/21/193038421.db2.gz XFLLQZBJWWOJRG-NSHDSACASA-N 0 0 305.382 0.489 50 0 DCAARN CCc1nc(N2C[C@H](NC(=O)CO)[C@@H](C3CC3)C2)ncc1C ZINC000091595887 193078108 /nfs/dbraw/zinc/07/81/08/193078108.db2.gz XIXLBXIIXVCDSX-OCCSQVGLSA-N 0 0 304.394 0.671 50 0 DCAARN CS(=O)(=O)N[C@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1C1CC1 ZINC000091619814 193079190 /nfs/dbraw/zinc/07/91/90/193079190.db2.gz JSMQSVVEXVNMOF-KGLIPLIRSA-N 0 0 323.418 0.410 50 0 DCAARN CC1(C)CN(C(=O)c2ccnc(-n3cnnc3)c2)C[C@]1(C)O ZINC000091651100 193084978 /nfs/dbraw/zinc/08/49/78/193084978.db2.gz NUAPUHZFOBNLTP-HNNXBMFYSA-N 0 0 301.350 0.895 50 0 DCAARN OC[C@@H]1C[C@H](CN2CCOCC2)CN(c2noc(C3CC3)n2)C1 ZINC000091713961 193095744 /nfs/dbraw/zinc/09/57/44/193095744.db2.gz AFAFLJBVXINLIG-CHWSQXEVSA-N 0 0 322.409 0.714 50 0 DCAARN CCc1ccc(CN(C)C(=O)CC[C@@H]2NC(=O)NC2=O)nc1 ZINC000091725974 193098118 /nfs/dbraw/zinc/09/81/18/193098118.db2.gz FNILMYVWRUVAQX-LBPRGKRZSA-N 0 0 304.350 0.591 50 0 DCAARN O=C(CN1C(=O)CNC1=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000091808075 193110736 /nfs/dbraw/zinc/11/07/36/193110736.db2.gz XBRNGJFQEDZWRD-LLVKDONJSA-N 0 0 315.251 0.958 50 0 DCAARN COCC[C@@]1(CO)CCCN(CC(=O)NCc2ccccn2)C1 ZINC000091860061 193118885 /nfs/dbraw/zinc/11/88/85/193118885.db2.gz SZMOOHVOGVSZHO-KRWDZBQOSA-N 0 0 321.421 0.809 50 0 DCAARN CCc1nnc(CN(CC)C(=O)C[C@H]2C(=O)N(C)C(=O)N2C)o1 ZINC000091908365 193124650 /nfs/dbraw/zinc/12/46/50/193124650.db2.gz QKGICHJWBMIUIU-VIFPVBQESA-N 0 0 323.353 0.263 50 0 DCAARN COCCN(Cc1cccnc1)C(=O)c1cnc(C)[nH]c1=O ZINC000091906616 193125412 /nfs/dbraw/zinc/12/54/12/193125412.db2.gz ZGAGXEYVRKYXHE-UHFFFAOYSA-N 0 0 302.334 0.762 50 0 DCAARN Cc1nc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)n(C)n1 ZINC000092107225 193160249 /nfs/dbraw/zinc/16/02/49/193160249.db2.gz LRZIUAOLLGXQAU-UHFFFAOYSA-N 0 0 321.425 0.320 50 0 DCAARN CCc1csc(CNC(=O)[C@@H]2CCc3nn(C)c(=O)n3C2)n1 ZINC000219577060 201560149 /nfs/dbraw/zinc/56/01/49/201560149.db2.gz GUOYPIVWVYQFNK-SECBINFHSA-N 0 0 321.406 0.480 50 0 DCAARN Cc1noc(C)c1CCCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC000221291520 201586256 /nfs/dbraw/zinc/58/62/56/201586256.db2.gz NMPXLGUOAQHXQV-UHFFFAOYSA-N 0 0 320.349 0.199 50 0 DCAARN Cc1nnnn1CCC(=O)NCc1nn(C)c2ccc(C)cc12 ZINC000222350799 201608755 /nfs/dbraw/zinc/60/87/55/201608755.db2.gz HDOFNSFFUDMNBU-UHFFFAOYSA-N 0 0 313.365 0.883 50 0 DCAARN Cc1cc(N)n(CC(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)n1 ZINC000223242918 201639149 /nfs/dbraw/zinc/63/91/49/201639149.db2.gz HDUYNUKWPNPFHI-OZVIIMIRSA-N 0 0 315.377 0.797 50 0 DCAARN COCC1(CNC(=O)NCCc2nnc3n2CCC3)CCC1 ZINC000252500492 202854067 /nfs/dbraw/zinc/85/40/67/202854067.db2.gz SWTJHEYCSKUEJB-UHFFFAOYSA-N 0 0 307.398 0.883 50 0 DCAARN O=C([C@H]1CCCN(c2ccc3nnnn3n2)C1)N1CCCC1 ZINC000095476934 193444975 /nfs/dbraw/zinc/44/49/75/193444975.db2.gz UJDZZFQLYWSEAS-NSHDSACASA-N 0 0 301.354 0.358 50 0 DCAARN Cc1cc(C)n(CCNc2ncc(F)c(N(C)C)n2)c(=O)n1 ZINC000095373899 193437107 /nfs/dbraw/zinc/43/71/07/193437107.db2.gz AJFDIFCIGNJEGI-UHFFFAOYSA-N 0 0 306.345 0.967 50 0 DCAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 ZINC000008705772 181575578 /nfs/dbraw/zinc/57/55/78/181575578.db2.gz MQNXFRHOUZUTNT-UHFFFAOYSA-N 0 0 324.402 0.734 50 0 DCAARN CCCn1c(=O)[nH]nc1SCn1nnc2ccccc2c1=O ZINC000009390472 181619931 /nfs/dbraw/zinc/61/99/31/181619931.db2.gz IJUITQYVCLAGTP-UHFFFAOYSA-N 0 0 318.362 0.836 50 0 DCAARN C[C@H](C(=O)Nc1nc(Cc2cccc(F)c2)n[nH]1)n1cncn1 ZINC000096500667 193673039 /nfs/dbraw/zinc/67/30/39/193673039.db2.gz QUDNVKBHJQBHOY-SECBINFHSA-N 0 0 315.312 0.748 50 0 DCAARN NC(=O)CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2 ZINC000010255438 181662233 /nfs/dbraw/zinc/66/22/33/181662233.db2.gz LYSYLAYUTYYLAJ-JTQLQIEISA-N 0 0 323.418 0.879 50 0 DCAARN COc1ccc(N2C[C@@H](C(=O)NCCO)CC2=O)cc1Cl ZINC000012408304 181758167 /nfs/dbraw/zinc/75/81/67/181758167.db2.gz MSSFYQOYJDMLIM-VIFPVBQESA-N 0 0 312.753 0.810 50 0 DCAARN COCCN1CN(S(=O)(=O)c2cc(C)ccc2C)CC1=O ZINC000282488066 217034610 /nfs/dbraw/zinc/03/46/10/217034610.db2.gz QVIXOSAFGLKXIS-UHFFFAOYSA-N 0 0 312.391 0.740 50 0 DCAARN CNC(=O)COc1cc(CSc2nnnn2C)ncc1OC ZINC000015824251 182018898 /nfs/dbraw/zinc/01/88/98/182018898.db2.gz FNTFHMQSMKAKFE-UHFFFAOYSA-N 0 0 324.366 0.031 50 0 DCAARN NC(=O)C1CCN(C(=O)N[C@H]2COc3ccccc3C2)CC1 ZINC000015787163 182018090 /nfs/dbraw/zinc/01/80/90/182018090.db2.gz APRJKCZBIWVOFO-CYBMUJFWSA-N 0 0 303.362 0.897 50 0 DCAARN CNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000016455464 182045085 /nfs/dbraw/zinc/04/50/85/182045085.db2.gz DQUBRHOZCNTEDD-AWEZNQCLSA-N 0 0 322.296 0.048 50 0 DCAARN C[C@@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)Nc1ccccc1 ZINC000019001593 182103180 /nfs/dbraw/zinc/10/31/80/182103180.db2.gz UUNWXPMOJTYZCF-KOLCDFICSA-N 0 0 319.317 0.545 50 0 DCAARN Nc1cc(=O)[nH]c(SCCN2C(=O)c3ccccc3C2=O)n1 ZINC000018222557 182099273 /nfs/dbraw/zinc/09/92/73/182099273.db2.gz HKEYSUVUUWKFMV-UHFFFAOYSA-N 0 0 316.342 0.740 50 0 DCAARN [O-][N+]1=C2CCc3nonc3[C@@H]2[C@H]2CCC[C@@]21N1CCOCC1 ZINC000019328193 182115681 /nfs/dbraw/zinc/11/56/81/182115681.db2.gz VUVWTFLFMZIMLX-YVLXSGLVSA-N 0 0 304.350 0.893 50 0 DCAARN CN1C(=O)[C@H]2CN(CCc3ccccc3)CN[C@@H]2N(C)C1=O ZINC000019324473 182116019 /nfs/dbraw/zinc/11/60/19/182116019.db2.gz ZBNKICCIUZBYMP-UONOGXRCSA-N 0 0 302.378 0.558 50 0 DCAARN C[C@@H](O)CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000019596694 182132978 /nfs/dbraw/zinc/13/29/78/182132978.db2.gz IWZVKZFFBXLUEA-LLVKDONJSA-N 0 0 309.391 0.134 50 0 DCAARN NC(=O)c1c2c(sc1NC(=O)CN1CCOCC1)CCC2 ZINC000019791883 182149972 /nfs/dbraw/zinc/14/99/72/182149972.db2.gz GNHVOJOKJJKBBJ-UHFFFAOYSA-N 0 0 309.391 0.606 50 0 DCAARN CC(=O)c1ccc(OC[C@@H](O)CN2CCN(CCO)CC2)cc1 ZINC000020347373 182210438 /nfs/dbraw/zinc/21/04/38/182210438.db2.gz IDYSKSGWTDOLFO-INIZCTEOSA-N 0 0 322.405 0.239 50 0 aggregator DCAARN CN(C)c1cc2c(cc1NC(=O)C1CC1)n(C)c(=O)c(=O)n2C ZINC000020428036 182216390 /nfs/dbraw/zinc/21/63/90/182216390.db2.gz CZXXIDUFXRUDNI-UHFFFAOYSA-N 0 0 316.361 0.652 50 0 DCAARN O=C(NCCN1CCOCC1)c1ccc(-n2cccn2)cc1 ZINC000020431978 182217156 /nfs/dbraw/zinc/21/71/56/182217156.db2.gz GQNPMWVGBIIAJN-UHFFFAOYSA-N 0 0 300.362 0.934 50 0 DCAARN COc1ccc(N2C(=O)C[C@H](N3CCC(=O)CC3)C2=O)cc1 ZINC000020512179 182226027 /nfs/dbraw/zinc/22/60/27/182226027.db2.gz FWIFBEUXMDXZNC-AWEZNQCLSA-N 0 0 302.330 0.992 50 0 DCAARN CC[C@@H](CO)NC(=O)c1nn(-c2ccccc2F)nc1CO ZINC000021149091 182266489 /nfs/dbraw/zinc/26/64/89/182266489.db2.gz VCUGHZZYFUETKD-VIFPVBQESA-N 0 0 308.313 0.399 50 0 DCAARN C[C@@H]1C(=O)N(CC(=O)NC(N)=O)C(=O)N1c1ccc(F)cc1 ZINC000021267527 182270136 /nfs/dbraw/zinc/27/01/36/182270136.db2.gz XDYQXPCUAXQSKQ-SSDOTTSWSA-N 0 0 308.269 0.178 50 0 DCAARN COCCNC(=O)c1ccc(-n2ncc(C(=O)OC)c2N)cc1 ZINC000021652295 182282678 /nfs/dbraw/zinc/28/26/78/182282678.db2.gz REKIPNLFGQMDDU-UHFFFAOYSA-N 0 0 318.333 0.617 50 0 DCAARN COC(=O)COC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 ZINC000022132664 182309638 /nfs/dbraw/zinc/30/96/38/182309638.db2.gz OCYZCJJQOOXEBV-UHFFFAOYSA-N 0 0 308.290 0.933 50 0 DCAARN COc1cc(/C=c2\sc3n(c2=O)CCCN=3)cc(OC)c1O ZINC000022204730 182313302 /nfs/dbraw/zinc/31/33/02/182313302.db2.gz DKHKMJNKDGYJLG-WQLSENKSSA-N 0 0 320.370 0.485 50 0 DCAARN CCCc1cc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)n[nH]1 ZINC000022978346 182344134 /nfs/dbraw/zinc/34/41/34/182344134.db2.gz CZTUJQWCYHUJDT-UHFFFAOYSA-N 0 0 322.365 0.243 50 0 DCAARN COC(=O)CCCNC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000022750674 182332664 /nfs/dbraw/zinc/33/26/64/182332664.db2.gz ZMSLUVGEHJUAHS-UHFFFAOYSA-N 0 0 308.334 0.494 50 0 DCAARN CC(=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000022755754 182333077 /nfs/dbraw/zinc/33/30/77/182333077.db2.gz XDYYUGUSSBYZOW-ZDUSSCGKSA-N 0 0 303.362 0.600 50 0 DCAARN COc1cccc(-c2noc(CN3CCN(CCO)CC3)n2)c1 ZINC000022943227 182343358 /nfs/dbraw/zinc/34/33/58/182343358.db2.gz VRAPDHPWZQNXLY-UHFFFAOYSA-N 0 0 318.377 0.855 50 0 DCAARN O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCNC(=O)C1 ZINC000023419037 182360829 /nfs/dbraw/zinc/36/08/29/182360829.db2.gz VJRXNMMUBYJDFD-UHFFFAOYSA-N 0 0 314.345 0.204 50 0 DCAARN CC(=O)NCCNc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000023641001 182365327 /nfs/dbraw/zinc/36/53/27/182365327.db2.gz GKJUSILYQUWXPC-UHFFFAOYSA-N 0 0 312.395 0.414 50 0 DCAARN COC(=O)c1cccc(S(=O)(=O)NCCn2ccnc2)c1 ZINC000024358177 182379489 /nfs/dbraw/zinc/37/94/89/182379489.db2.gz SGFGQFFAWQWIMD-UHFFFAOYSA-N 0 0 309.347 0.648 50 0 DCAARN CC(C)OCCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C ZINC000024536250 182382688 /nfs/dbraw/zinc/38/26/88/182382688.db2.gz MLTJLWNUMYBKSW-UHFFFAOYSA-N 0 0 300.746 0.512 50 0 DCAARN CNC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000024714541 182388334 /nfs/dbraw/zinc/38/83/34/182388334.db2.gz BNVIQRIVUKJYLD-INIZCTEOSA-N 0 0 301.346 0.688 50 0 DCAARN Cc1cc(CN(C)C(=O)[C@H]2CCCCN2S(C)(=O)=O)no1 ZINC000025137757 182402441 /nfs/dbraw/zinc/40/24/41/182402441.db2.gz XMXLLKGHAQISJO-GFCCVEGCSA-N 0 0 315.395 0.756 50 0 DCAARN C[C@H](Sc1nccn1C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000029997150 182582557 /nfs/dbraw/zinc/58/25/57/182582557.db2.gz MZGUWTRXMJUXAJ-VHSXEESVSA-N 0 0 317.436 0.546 50 0 DCAARN CC(C)NC(=O)CNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000032074878 182633634 /nfs/dbraw/zinc/63/36/34/182633634.db2.gz XISMUUZMVIRFGN-UHFFFAOYSA-N 0 0 302.334 0.747 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000035598305 182781449 /nfs/dbraw/zinc/78/14/49/182781449.db2.gz PKIABIQHDVGVKI-UHFFFAOYSA-N 0 0 323.422 0.487 50 0 DCAARN Cc1nccn1CCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000038718083 183008183 /nfs/dbraw/zinc/00/81/83/183008183.db2.gz NUCOFNHUCCTZFB-UHFFFAOYSA-N 0 0 316.317 0.675 50 0 DCAARN Cc1cc2c(cnc3ncnn32)c(=O)n1NC(=O)c1ccncc1 ZINC000038784036 183010336 /nfs/dbraw/zinc/01/03/36/183010336.db2.gz JSSOMGHAGGNVJG-UHFFFAOYSA-N 0 0 321.300 0.527 50 0 DCAARN O=C(NCCCN1CCOCC1)C(=O)Nc1cccc(O)c1 ZINC000040284959 183051262 /nfs/dbraw/zinc/05/12/62/183051262.db2.gz QQKAYIRWYCVUFV-UHFFFAOYSA-N 0 0 307.350 0.169 50 0 DCAARN COC(=O)CCNC(=O)C(=O)Nc1cc(Cl)ccc1O ZINC000040287525 183052093 /nfs/dbraw/zinc/05/20/93/183052093.db2.gz BTPAOEHXZYDWKY-UHFFFAOYSA-N 0 0 300.698 0.663 50 0 DCAARN NC(=O)C1CCN(CC(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000040468761 183073402 /nfs/dbraw/zinc/07/34/02/183073402.db2.gz ABBUJWVGGRTREF-UHFFFAOYSA-N 0 0 302.334 0.236 50 0 DCAARN Cc1noc(C)c1CCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000040467446 183073421 /nfs/dbraw/zinc/07/34/21/183073421.db2.gz LQCDBVAPTBBRQH-LLVKDONJSA-N 0 0 300.380 0.870 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)NCc2ccccn2)CC1 ZINC000040490228 183079973 /nfs/dbraw/zinc/07/99/73/183079973.db2.gz MSUPNQFMIOCXQM-UHFFFAOYSA-N 0 0 312.395 0.305 50 0 DCAARN Cc1ccc(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)cc1C(N)=O ZINC000040511349 183087139 /nfs/dbraw/zinc/08/71/39/183087139.db2.gz PGBWVYJNHGTPSH-QWRGUYRKSA-N 0 0 312.391 0.892 50 0 DCAARN C[C@H](CNC(=O)c1cnn(C)c1-n1cccc1)N1CCOCC1 ZINC000040512880 183088006 /nfs/dbraw/zinc/08/80/06/183088006.db2.gz JQYJLOVYTBRIPF-CYBMUJFWSA-N 0 0 317.393 0.661 50 0 DCAARN O=C(NCCN1CCOCC1)c1ccn(-c2ccccc2)n1 ZINC000040513958 183089009 /nfs/dbraw/zinc/08/90/09/183089009.db2.gz YKKCEYNLBYBUBA-UHFFFAOYSA-N 0 0 300.362 0.934 50 0 DCAARN Cn1c2ccccc2n(CC(=O)N[C@@H]2CCCCNC2=O)c1=O ZINC000040522178 183091271 /nfs/dbraw/zinc/09/12/71/183091271.db2.gz SPGDKVWEOAPLQY-LLVKDONJSA-N 0 0 316.361 0.125 50 0 DCAARN O=C(CN1CCSC1=O)NCc1cccnc1-n1cncn1 ZINC000040535667 183095541 /nfs/dbraw/zinc/09/55/41/183095541.db2.gz QEQXFGJCYVEBLS-UHFFFAOYSA-N 0 0 318.362 0.447 50 0 DCAARN CC1CCC(NC(=O)Cn2nc(-n3cncn3)ccc2=O)CC1 ZINC000040539775 183096793 /nfs/dbraw/zinc/09/67/93/183096793.db2.gz RNXNRXDZMFQHGP-UHFFFAOYSA-N 0 0 316.365 0.519 50 0 DCAARN COc1ncccc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000040541662 183097746 /nfs/dbraw/zinc/09/77/46/183097746.db2.gz MNJYVBICMJFHPX-JTQLQIEISA-N 0 0 313.379 0.700 50 0 DCAARN CN1CCN(C(=O)CCNC(=O)NCCc2ccccc2)CC1 ZINC000040549240 183100033 /nfs/dbraw/zinc/10/00/33/183100033.db2.gz ZZUMRDTVOBYJMJ-UHFFFAOYSA-N 0 0 318.421 0.692 50 0 DCAARN C[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCOCC1 ZINC000041248201 183181503 /nfs/dbraw/zinc/18/15/03/183181503.db2.gz FYBASFHEOCZWBX-JTQLQIEISA-N 0 0 306.318 0.392 50 0 DCAARN CS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CCOC2)cc1 ZINC000041274074 183182877 /nfs/dbraw/zinc/18/28/77/183182877.db2.gz KXBPKQJBIPGTRF-LBPRGKRZSA-N 0 0 312.391 0.926 50 0 DCAARN O=C(Cn1cc(Br)ccc1=O)NC[C@H]1CCOC1 ZINC000041366033 183186274 /nfs/dbraw/zinc/18/62/74/183186274.db2.gz GMUFFLLHKGIDKF-SECBINFHSA-N 0 0 315.167 0.764 50 0 DCAARN CCn1c2ccc(C(=O)NC[C@@H]3CCOC3)cc2[nH]c(=O)c1=O ZINC000041376694 183187837 /nfs/dbraw/zinc/18/78/37/183187837.db2.gz ACLNAUYJCRLXNX-JTQLQIEISA-N 0 0 317.345 0.476 50 0 DCAARN Cn1c(=O)ccn(CC(=O)NC2(c3ccccc3)CCC2)c1=O ZINC000041788249 183220781 /nfs/dbraw/zinc/22/07/81/183220781.db2.gz ILEMSVRXBBZFQS-UHFFFAOYSA-N 0 0 313.357 0.743 50 0 DCAARN Cc1ccoc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000041672380 183215438 /nfs/dbraw/zinc/21/54/38/183215438.db2.gz IMYMIRJQJRRGEO-NSHDSACASA-N 0 0 300.380 0.989 50 0 DCAARN CCS(=O)(=O)N1CCC(Nc2ncnc3c2cnn3C)CC1 ZINC000042678360 183295437 /nfs/dbraw/zinc/29/54/37/183295437.db2.gz BCRCIAAXXQIZGH-UHFFFAOYSA-N 0 0 324.410 0.589 50 0 DCAARN Cc1cc(C)n(CCC(=O)N2[C@@H]3CC[C@H]2C[C@@H](O)C3)c(=O)n1 ZINC000102184061 193867085 /nfs/dbraw/zinc/86/70/85/193867085.db2.gz SWGZCMJZSLMNNI-WDNDVIMCSA-N 0 0 305.378 0.765 50 0 DCAARN NC(=O)C1(CNC(=O)NCCc2cccs2)CCOCC1 ZINC000043309756 183354354 /nfs/dbraw/zinc/35/43/54/183354354.db2.gz YSFWFWPURFHSCK-UHFFFAOYSA-N 0 0 311.407 0.872 50 0 DCAARN CCNC(=O)CN1CCN(C(=O)c2sc(C)nc2C)CC1 ZINC000044703567 183433911 /nfs/dbraw/zinc/43/39/11/183433911.db2.gz PVGNAGJNEPUTOB-UHFFFAOYSA-N 0 0 310.423 0.654 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)Nc2ccccc21 ZINC000044723182 183435499 /nfs/dbraw/zinc/43/54/99/183435499.db2.gz RTTSAQRDKGFSDF-PWSUYJOCSA-N 0 0 322.386 0.663 50 0 DCAARN Cc1cnc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)s1 ZINC000044910028 183454488 /nfs/dbraw/zinc/45/44/88/183454488.db2.gz LSAFSHHNXUBLRQ-VIFPVBQESA-N 0 0 303.409 0.509 50 0 DCAARN C[C@H](Cc1ccco1)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000044912976 183455729 /nfs/dbraw/zinc/45/57/29/183455729.db2.gz KACMPWGZGLOGFX-VXGBXAGGSA-N 0 0 314.407 0.998 50 0 DCAARN Cc1cccc2c(=O)n(CC(=O)N3CCC[C@H](O)C3)cnc12 ZINC000044891399 183448986 /nfs/dbraw/zinc/44/89/86/183448986.db2.gz VIIVWGAOMXTPQU-LBPRGKRZSA-N 0 0 301.346 0.688 50 0 DCAARN COC(=O)c1cccc(S(=O)(=O)NC(C)(C)C(=O)OC)c1 ZINC000046800632 183569208 /nfs/dbraw/zinc/56/92/08/183569208.db2.gz YRRYTOGQEFDHBY-UHFFFAOYSA-N 0 0 315.347 0.703 50 0 DCAARN C[C@H](Cn1cccn1)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000106058180 194182798 /nfs/dbraw/zinc/18/27/98/194182798.db2.gz QFZSWKZZCVWCJR-UTUOFQBUSA-N 0 0 302.400 0.215 50 0 DCAARN C[C@H]1CCCCN1S(=O)(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000106558577 194231501 /nfs/dbraw/zinc/23/15/01/194231501.db2.gz SNUKNPQDMMFTGL-WCQYABFASA-N 0 0 311.407 0.922 50 0 DCAARN CC1CCN(S(=O)(=O)N2CCC(CC(N)=O)CC2)CC1 ZINC000056089063 184004585 /nfs/dbraw/zinc/00/45/85/184004585.db2.gz JBJRSYAPJWSZFK-UHFFFAOYSA-N 0 0 303.428 0.551 50 0 DCAARN CCc1ccc(N2C[C@@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1 ZINC000057050261 184025934 /nfs/dbraw/zinc/02/59/34/184025934.db2.gz FQEUILQNYLGNAW-LBPRGKRZSA-N 0 0 317.389 0.982 50 0 DCAARN Cc1nc2c(nc(N)nc2Nc2c(C)n(C)nc2C(N)=O)n1C ZINC000057279195 184031343 /nfs/dbraw/zinc/03/13/43/184031343.db2.gz PGFAJCUYZONWPX-UHFFFAOYSA-N 0 0 315.341 0.138 50 0 DCAARN Cn1nc(C(=O)Nc2ccon2)cc1OCC(=O)N1CCCC1 ZINC000057355325 184035306 /nfs/dbraw/zinc/03/53/06/184035306.db2.gz OJBCDIUKVCLHEW-UHFFFAOYSA-N 0 0 319.321 0.662 50 0 DCAARN CCOCCOc1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1 ZINC000058203174 184087453 /nfs/dbraw/zinc/08/74/53/184087453.db2.gz TUMVMZYVMLWLEG-JTQLQIEISA-N 0 0 316.379 0.254 50 0 DCAARN CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccc[nH]c1=O ZINC000058156674 184081483 /nfs/dbraw/zinc/08/14/83/184081483.db2.gz FIHUEOZLKVBRRC-UHFFFAOYSA-N 0 0 312.307 0.076 50 0 DCAARN CN1N=C(C(=O)NCC(=O)OCc2ccccc2)CCC1=O ZINC000058378125 184109964 /nfs/dbraw/zinc/10/99/64/184109964.db2.gz IUATVWDFKKUVAK-UHFFFAOYSA-N 0 0 303.318 0.454 50 0 DCAARN C[C@H]1CCCN(S(=O)(=O)NCCCN2CCCC2=O)C1 ZINC000058268565 184097688 /nfs/dbraw/zinc/09/76/88/184097688.db2.gz IGMTUFCBFPVVRW-LBPRGKRZSA-N 0 0 303.428 0.565 50 0 DCAARN CCN(CC)S(=O)(=O)NCCNC(=O)Cc1ccccc1 ZINC000058268682 184097749 /nfs/dbraw/zinc/09/77/49/184097749.db2.gz YDFNHOGWFYCIFR-UHFFFAOYSA-N 0 0 313.423 0.522 50 0 DCAARN CCn1ccc(=O)nc1SCC(=O)NC(=O)NC(C)(C)C ZINC000058304850 184102808 /nfs/dbraw/zinc/10/28/08/184102808.db2.gz GMFPKAWQIAJLLX-UHFFFAOYSA-N 0 0 312.395 0.980 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000058323143 184104485 /nfs/dbraw/zinc/10/44/85/184104485.db2.gz CGDXUPDQMJSJJD-CHWSQXEVSA-N 0 0 311.426 0.960 50 0 DCAARN CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1cc(C)cn1 ZINC000058332259 184106726 /nfs/dbraw/zinc/10/67/26/184106726.db2.gz MXGHWCRGZFEDPU-OAHLLOKOSA-N 0 0 312.373 0.891 50 0 DCAARN CN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)c1ccccc1 ZINC000058452129 184119294 /nfs/dbraw/zinc/11/92/94/184119294.db2.gz YVALZROBOULZAS-UHFFFAOYSA-N 0 0 314.345 0.773 50 0 DCAARN COc1ccccc1C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC000058986034 184133373 /nfs/dbraw/zinc/13/33/73/184133373.db2.gz BTMXJQRCLHGAQL-CYBMUJFWSA-N 0 0 301.350 0.915 50 0 DCAARN NC(=O)[C@H]1CCN(Cn2nc(-c3ccc(F)cc3)oc2=O)C1 ZINC000062639998 184246188 /nfs/dbraw/zinc/24/61/88/184246188.db2.gz OKGLFPOBTULLSC-JTQLQIEISA-N 0 0 306.297 0.407 50 0 DCAARN O=C(NC1CC1)c1nc(Cn2c(=O)oc3ccccc32)no1 ZINC000065111614 184310800 /nfs/dbraw/zinc/31/08/00/184310800.db2.gz SEBHAFINCHXMQM-UHFFFAOYSA-N 0 0 300.274 0.918 50 0 DCAARN O=C(CCN[C@H]1C=CS(=O)(=O)C1)N1CCc2ccccc2C1 ZINC000065409543 184339817 /nfs/dbraw/zinc/33/98/17/184339817.db2.gz PTJHDMHGOHLNOK-HNNXBMFYSA-N 0 0 320.414 0.862 50 0 DCAARN COC[C@@H](O)CN(C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000065428654 184343679 /nfs/dbraw/zinc/34/36/79/184343679.db2.gz LTVRFZFOMBHABP-ZDUSSCGKSA-N 0 0 324.377 0.649 50 0 DCAARN Cc1ccc([C@H](CNC(=O)[C@H]2CCC(=O)N2)N2CCOCC2)o1 ZINC000065436895 184344646 /nfs/dbraw/zinc/34/46/46/184344646.db2.gz ZFZXTTDMBUHCKG-OLZOCXBDSA-N 0 0 321.377 0.356 50 0 DCAARN CC(=O)N1CCN(CCNC(=O)Nc2cc(C)nn2C)CC1 ZINC000065452934 184346534 /nfs/dbraw/zinc/34/65/34/184346534.db2.gz YMFUIHLJVTYRKQ-UHFFFAOYSA-N 0 0 308.386 0.014 50 0 DCAARN CN(Cc1ccccc1)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000065476503 184351702 /nfs/dbraw/zinc/35/17/02/184351702.db2.gz CVUGRCJBZIYJEK-UHFFFAOYSA-N 0 0 318.420 0.094 50 0 DCAARN COCCNC(=O)CN(C)Cc1nc2ccccc2n(C)c1=O ZINC000065479571 184352551 /nfs/dbraw/zinc/35/25/51/184352551.db2.gz AXYNNTAOLXDUBS-UHFFFAOYSA-N 0 0 318.377 0.128 50 0 DCAARN CC[C@H](CO)NC(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000065479750 184352718 /nfs/dbraw/zinc/35/27/18/184352718.db2.gz UTRHQEJUKTVPMY-TZMCWYRMSA-N 0 0 317.455 0.264 50 0 DCAARN CN(Cc1n[nH]c(=O)n1Cc1ccccc1F)S(C)(=O)=O ZINC000065491652 184353512 /nfs/dbraw/zinc/35/35/12/184353512.db2.gz XJNAJNPDFAYKRZ-UHFFFAOYSA-N 0 0 314.342 0.150 50 0 DCAARN COc1ccccc1S(=O)(=O)N[C@@H]1C[C@@H](CO)N(C)C1 ZINC000065395626 184335483 /nfs/dbraw/zinc/33/54/83/184335483.db2.gz GGSWRZCDFWPZGR-MNOVXSKESA-N 0 0 300.380 0.039 50 0 DCAARN NC(=O)c1cnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000065405702 184338714 /nfs/dbraw/zinc/33/87/14/184338714.db2.gz XZCGPYHPTVOUAE-UHFFFAOYSA-N 0 0 314.301 0.367 50 0 DCAARN Cc1nnc2n1C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC3CC3)C1)CC2 ZINC000065520818 184359275 /nfs/dbraw/zinc/35/92/75/184359275.db2.gz OJHUHZGZSJPKPK-OLZOCXBDSA-N 0 0 317.393 0.276 50 0 DCAARN Cc1nnc2n1C[C@@H](NC(=O)c1ccc(-n3cccn3)nc1)CC2 ZINC000065530343 184360681 /nfs/dbraw/zinc/36/06/81/184360681.db2.gz TYUHXMBKHKQPMT-ZDUSSCGKSA-N 0 0 323.360 0.912 50 0 DCAARN C[C@@H](NC(=O)NC1CCN(CC(N)=O)CC1)c1ccncc1 ZINC000065611058 184373215 /nfs/dbraw/zinc/37/32/15/184373215.db2.gz KLZHUVIDHJQTBK-LLVKDONJSA-N 0 0 305.382 0.392 50 0 DCAARN Cc1nn2cccnc2c1C(=O)N[C@@H]1CCc2nnc(C)n2C1 ZINC000065563894 184366552 /nfs/dbraw/zinc/36/65/52/184366552.db2.gz CFFKONQEFSVEER-LLVKDONJSA-N 0 0 311.349 0.682 50 0 DCAARN COC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(OC)c2)C1=O ZINC000066084267 184388130 /nfs/dbraw/zinc/38/81/30/184388130.db2.gz AIRJTXVKLVPJBL-OAHLLOKOSA-N 0 0 321.333 0.591 50 0 DCAARN COC[C@@]1(C)NC(=O)N(CC(=O)NCc2ccccc2)C1=O ZINC000066084124 184388169 /nfs/dbraw/zinc/38/81/69/184388169.db2.gz ICJZSAMGOACRRO-OAHLLOKOSA-N 0 0 305.334 0.260 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000067139617 184451761 /nfs/dbraw/zinc/45/17/61/184451761.db2.gz AINSWYTVLXYPBN-LLVKDONJSA-N 0 0 313.398 0.980 50 0 DCAARN CN(C)C(=O)CCNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000069348963 184508324 /nfs/dbraw/zinc/50/83/24/184508324.db2.gz ADDTZROQDOJEOC-JTQLQIEISA-N 0 0 315.439 0.529 50 0 DCAARN Cc1cnn(C[C@@H]2CN(CC(=O)Nc3ccncc3)CCO2)c1 ZINC000069560255 184525577 /nfs/dbraw/zinc/52/55/77/184525577.db2.gz YQEUKIWXWQOSGC-HNNXBMFYSA-N 0 0 315.377 0.926 50 0 DCAARN O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1[C@H]1CCS(=O)(=O)C1 ZINC000004043973 296423901 /nfs/dbraw/zinc/42/39/01/296423901.db2.gz WPKUKLQILSUIFX-STQMWFEESA-N 0 0 320.370 0.563 50 0 biogenic DCAARN COCCNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 ZINC000008184383 256522676 /nfs/dbraw/zinc/52/26/76/256522676.db2.gz QSDNZBAYQIPOFS-UHFFFAOYSA-N 0 0 316.379 0.322 50 0 DCAARN COc1c[nH]c(C(=O)NC[C@H]2COc3ccccc3O2)cc1=O ZINC000524733652 257213098 /nfs/dbraw/zinc/21/30/98/257213098.db2.gz AEHLYUWXSZHTGY-JTQLQIEISA-N 0 0 316.313 0.953 50 0 DCAARN CN(C)C(=O)c1cc(NC(=O)CCn2cnnn2)ccc1F ZINC000524734256 257213594 /nfs/dbraw/zinc/21/35/94/257213594.db2.gz NLYBEIUHDUWADK-UHFFFAOYSA-N 0 0 306.301 0.543 50 0 DCAARN C[C@@H](C(=O)NCCc1nc(-c2cccs2)no1)n1cnnn1 ZINC000524732951 257214194 /nfs/dbraw/zinc/21/41/94/257214194.db2.gz FNJHTRDKZWAISX-QMMMGPOBSA-N 0 0 319.350 0.705 50 0 DCAARN Cc1cccc(=O)n1CCC(=O)N1CCN(c2nc[nH]n2)CC1 ZINC000426612314 257244827 /nfs/dbraw/zinc/24/48/27/257244827.db2.gz HGFASVYDONXAMZ-UHFFFAOYSA-N 0 0 316.365 0.014 50 0 DCAARN CN1C(=O)COc2ccc(C(=O)NCCCn3ccnn3)cc21 ZINC000426512368 257247375 /nfs/dbraw/zinc/24/73/75/257247375.db2.gz XNPMJAKISZQHSD-UHFFFAOYSA-N 0 0 315.333 0.453 50 0 DCAARN C[C@@H](C(=O)N1CCN(c2nc[nH]n2)CC1)n1cc(Cl)cn1 ZINC000426471058 257249333 /nfs/dbraw/zinc/24/93/33/257249333.db2.gz UXTMLOWKVVLSDY-VIFPVBQESA-N 0 0 309.761 0.564 50 0 DCAARN O=C(Cn1ccc(=O)cc1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000426383876 257252506 /nfs/dbraw/zinc/25/25/06/257252506.db2.gz QBIUCWZMIFSFAZ-UHFFFAOYSA-N 0 0 317.389 0.709 50 0 DCAARN CSc1ncc(CNC(=O)[C@H](C)N2CCN(C)CC2)n1C ZINC000426396372 257252632 /nfs/dbraw/zinc/25/26/32/257252632.db2.gz GHHKLSRJGWIDLD-NSHDSACASA-N 0 0 311.455 0.394 50 0 DCAARN CN(c1cnccn1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000330032238 257260914 /nfs/dbraw/zinc/26/09/14/257260914.db2.gz JVCQESGRBGJZLR-UHFFFAOYSA-N 0 0 305.319 0.884 50 0 DCAARN CNC(=O)c1ccc(NC(=O)N2CCN(C[C@H](C)O)CC2)cc1 ZINC000343375132 257261024 /nfs/dbraw/zinc/26/10/24/257261024.db2.gz UYPQQTOMDBWGDW-LBPRGKRZSA-N 0 0 320.393 0.577 50 0 DCAARN C[C@H](CNC(=O)c1nc(S(C)(=O)=O)n2ccccc12)N(C)C ZINC000058306362 257270155 /nfs/dbraw/zinc/27/01/55/257270155.db2.gz ZODINWVKBINNMN-SNVBAGLBSA-N 0 0 324.406 0.418 50 0 DCAARN CCOC(=O)C[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC000072408357 257270796 /nfs/dbraw/zinc/27/07/96/257270796.db2.gz UQAVJYDQVHCVHG-VIFPVBQESA-N 0 0 309.322 0.423 50 0 DCAARN O=C(c1cn[nH]n1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000071819788 184851946 /nfs/dbraw/zinc/85/19/46/184851946.db2.gz RVGAVOPTNVPVMS-UHFFFAOYSA-N 0 0 313.361 0.698 50 0 DCAARN COc1cccc(CO[C@H](C)C(=O)N2CCNC(=O)CC2)c1 ZINC000071839524 184863938 /nfs/dbraw/zinc/86/39/38/184863938.db2.gz XBNPVJOVMXDNHW-GFCCVEGCSA-N 0 0 306.362 0.949 50 0 DCAARN CCN(C)C(=O)[C@@H]1CSCN1C(=O)CCc1cnn(C)c1 ZINC000069593435 184819903 /nfs/dbraw/zinc/81/99/03/184819903.db2.gz IUDYKTYNSOUFCD-LBPRGKRZSA-N 0 0 310.423 0.733 50 0 DCAARN CNC(=O)C[C@H]1COc2ccc(C(=O)NCCOC)cc2N1C ZINC000071774779 184840780 /nfs/dbraw/zinc/84/07/80/184840780.db2.gz WWRLQBIHCWUSKL-LBPRGKRZSA-N 0 0 321.377 0.396 50 0 DCAARN CCOC(=O)N1CCN(C(=O)c2nccn3ccnc23)CC1 ZINC000071921181 184906433 /nfs/dbraw/zinc/90/64/33/184906433.db2.gz XFAVZLFPVAVMFW-UHFFFAOYSA-N 0 0 303.322 0.644 50 0 DCAARN CN(C)C(=O)CCCS(=O)(=O)CCC(=O)N1CCCCC1 ZINC000097325383 288943836 /nfs/dbraw/zinc/94/38/36/288943836.db2.gz LBTOVBQFHZGODF-UHFFFAOYSA-N 0 0 318.439 0.672 50 0 DCAARN O=C(CON1C(=O)CCC1=O)N1CCN(c2ccccc2)CC1 ZINC000003317536 134453768 /nfs/dbraw/zinc/45/37/68/134453768.db2.gz ZVCIVSZOGFNYQQ-UHFFFAOYSA-N 0 0 317.345 0.416 50 0 DCAARN O=C(CSc1nnnn1Cc1cccs1)N1CCNC1=O ZINC000008338382 395684455 /nfs/dbraw/zinc/68/44/55/395684455.db2.gz UYRLKVRXMQEXRL-UHFFFAOYSA-N 0 0 324.391 0.427 50 0 DCAARN COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cccnc1 ZINC000008389431 395684577 /nfs/dbraw/zinc/68/45/77/395684577.db2.gz VUQCSEJBYVSVQG-UHFFFAOYSA-N 0 0 321.358 0.668 50 0 DCAARN C[C@@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000008489855 395684663 /nfs/dbraw/zinc/68/46/63/395684663.db2.gz IYIHODJVDWDJSR-SECBINFHSA-N 0 0 305.334 0.714 50 0 DCAARN COc1ccc(NC(=O)CN(CC(N)=O)C(C)C)c(OC)c1 ZINC000008532707 395684809 /nfs/dbraw/zinc/68/48/09/395684809.db2.gz NMGDGIMXAKJSSJ-UHFFFAOYSA-N 0 0 309.366 0.838 50 0 DCAARN CCCCn1c(=O)c2c(nc3n2cc(C)n3CCO)n(C)c1=O ZINC000008709851 395684910 /nfs/dbraw/zinc/68/49/10/395684910.db2.gz CYFZYERMRAVIQT-UHFFFAOYSA-N 0 0 319.365 0.250 50 0 DCAARN COCCCNC(=S)N1CCN(C(=O)c2ccco2)CC1 ZINC000008682762 395684922 /nfs/dbraw/zinc/68/49/22/395684922.db2.gz ZLAYFHWMPZXMIM-UHFFFAOYSA-N 0 0 311.407 0.948 50 0 DCAARN NC(=O)NC(=O)COC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000008746659 395684941 /nfs/dbraw/zinc/68/49/41/395684941.db2.gz JDUMJWKNDCSGIR-UHFFFAOYSA-N 0 0 306.253 0.568 50 0 DCAARN C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCNC1=O ZINC000009218271 395685138 /nfs/dbraw/zinc/68/51/38/395685138.db2.gz ZLVBKTCVKMXGRP-MRVPVSSYSA-N 0 0 306.274 0.512 50 0 DCAARN COC(=O)CNC(=O)CSc1nc2cc(Cl)cnc2[nH]1 ZINC000009219787 395685156 /nfs/dbraw/zinc/68/51/56/395685156.db2.gz YNXVBJJUIPDMRQ-UHFFFAOYSA-N 0 0 314.754 0.993 50 0 DCAARN O=C(NCCO)[C@@H]1[C@H]2C(=O)N(c3ccccc3)C[C@@]23C=C[C@@H]1O3 ZINC000009302625 395685159 /nfs/dbraw/zinc/68/51/59/395685159.db2.gz YJHMFMCJDXYIOD-WSMBLCCSSA-N 0 0 314.341 0.082 50 0 DCAARN COc1cc(OC)cc(C(=O)NCCC(=O)N2CCOCC2)c1 ZINC000009340072 395685352 /nfs/dbraw/zinc/68/53/52/395685352.db2.gz MOZFCXWNZBEHNM-UHFFFAOYSA-N 0 0 322.361 0.683 50 0 DCAARN COc1ccc(NC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1OC ZINC000009607281 395685445 /nfs/dbraw/zinc/68/54/45/395685445.db2.gz ZAARJHUWQLRJDW-UHFFFAOYSA-N 0 0 306.278 0.724 50 0 DCAARN NC(=O)C1CCN(C(=O)Cc2ccc3c(c2)OCCO3)CC1 ZINC000009576244 395685477 /nfs/dbraw/zinc/68/54/77/395685477.db2.gz QUEVGLBJOPTHAQ-UHFFFAOYSA-N 0 0 304.346 0.724 50 0 DCAARN Cn1c(SCC(=O)NC2CCCC2)nnc1-c1nonc1N ZINC000010337336 395686065 /nfs/dbraw/zinc/68/60/65/395686065.db2.gz ATYDOKKTFLVOAY-UHFFFAOYSA-N 0 0 323.382 0.598 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000010418618 395686092 /nfs/dbraw/zinc/68/60/92/395686092.db2.gz GFNJIALCYZHAJA-UHFFFAOYSA-N 0 0 300.355 0.980 50 0 DCAARN COC(=O)Cn1c(=N)sc2cc(S(C)(=O)=O)ccc21 ZINC000011919954 395686942 /nfs/dbraw/zinc/68/69/42/395686942.db2.gz SIYHZDYHVKTWMM-UHFFFAOYSA-N 0 0 300.361 0.759 50 0 DCAARN CC(=O)NCCNC(=O)c1cn(Cc2ccccc2Cl)nn1 ZINC000012201346 395687256 /nfs/dbraw/zinc/68/72/56/395687256.db2.gz CBOHMVSABSVFPY-UHFFFAOYSA-N 0 0 321.768 0.846 50 0 DCAARN CCCNC(=O)C(=O)Nc1cc2c3c(c1)CCCN3C(=O)C2 ZINC000012342440 395687357 /nfs/dbraw/zinc/68/73/57/395687357.db2.gz VXAPKZDAQUROFM-UHFFFAOYSA-N 0 0 301.346 0.987 50 0 DCAARN CC(=O)c1c[nH]c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000012792070 395688048 /nfs/dbraw/zinc/68/80/48/395688048.db2.gz ZAQGWGZFTOTLHT-UHFFFAOYSA-N 0 0 318.377 0.254 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCNC(=O)c2cnccn2)cc1 ZINC000012921573 395688086 /nfs/dbraw/zinc/68/80/86/395688086.db2.gz XSCFAVJJZBJEFB-UHFFFAOYSA-N 0 0 320.374 0.493 50 0 DCAARN COc1ccc2c(C)c(CC(=O)NC[C@@H](O)CO)c(=O)oc2c1 ZINC000012895288 395688206 /nfs/dbraw/zinc/68/82/06/395688206.db2.gz JWVFENMGYRGEDK-SNVBAGLBSA-N 0 0 321.329 0.122 50 0 biogenic DCAARN CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)C ZINC000013012174 395688259 /nfs/dbraw/zinc/68/82/59/395688259.db2.gz NZBZBXZAOAGQJZ-GFCCVEGCSA-N 0 0 309.391 0.838 50 0 DCAARN CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3ncnn32)cc1 ZINC000013123861 395688468 /nfs/dbraw/zinc/68/84/68/395688468.db2.gz SATBBVIFHHXXOD-LLVKDONJSA-N 0 0 314.305 0.759 50 0 DCAARN CC(=O)Nc1nc2ccc(C(=O)N3CCNC(=O)C3)cc2s1 ZINC000013736588 395689037 /nfs/dbraw/zinc/68/90/37/395689037.db2.gz JNGHHTAESLFMGE-UHFFFAOYSA-N 0 0 318.358 0.827 50 0 DCAARN CC1(C)CC(=O)c2cnc(N3CCN(CCO)CC3)nc2C1 ZINC000019938243 395691118 /nfs/dbraw/zinc/69/11/18/395691118.db2.gz LYOHAFNVQMFXRW-UHFFFAOYSA-N 0 0 304.394 0.746 50 0 DCAARN CSc1nc2n(n1)[C@@H](c1cc(C)nn1C)C(C(N)=O)=C(C)N2 ZINC000020606610 395691363 /nfs/dbraw/zinc/69/13/63/395691363.db2.gz DACTZAXGBHLWOR-JTQLQIEISA-N 0 0 319.394 0.816 50 0 DCAARN CCCNC(=O)CN1CCN(c2cc(Cl)nc(N)n2)CC1 ZINC000024056601 395692683 /nfs/dbraw/zinc/69/26/83/395692683.db2.gz NRYSSHRFRSCAFT-UHFFFAOYSA-N 0 0 312.805 0.360 50 0 DCAARN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCN(c2ccccn2)CC1 ZINC000024572822 395693032 /nfs/dbraw/zinc/69/30/32/395693032.db2.gz XPYDVJBDXBOPPI-CYBMUJFWSA-N 0 0 319.409 0.826 50 0 DCAARN O=C(c1ccc2c(c1)C(=O)NC2=O)c1ccc2c(c1)C(=O)NC2=O ZINC000000056857 395679664 /nfs/dbraw/zinc/67/96/64/395679664.db2.gz PGLDTKTVHQZGNS-UHFFFAOYSA-N 0 0 320.260 0.685 50 0 DCAARN CCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC ZINC000000040768 395679708 /nfs/dbraw/zinc/67/97/08/395679708.db2.gz BKTBUTFCNYKTFT-UHFFFAOYSA-N 0 0 312.351 0.098 50 0 DCAARN CCOC(=O)Cc1nn(CC(N)=S)c(=O)c2ccccc12 ZINC000000161330 395680004 /nfs/dbraw/zinc/68/00/04/395680004.db2.gz FHODRMLVKJJVJO-UHFFFAOYSA-N 0 0 305.359 0.788 50 0 DCAARN Cc1ccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1C ZINC000000224221 395680025 /nfs/dbraw/zinc/68/00/25/395680025.db2.gz OIPDBRKBBMEFDN-UHFFFAOYSA-N 0 0 309.347 0.789 50 0 DCAARN O=C(CN1N=C(c2ccccc2)CCC1=O)N1CCOCC1 ZINC000000219602 395680041 /nfs/dbraw/zinc/68/00/41/395680041.db2.gz WBIJVJMSYYFMOI-UHFFFAOYSA-N 0 0 301.346 0.872 50 0 DCAARN O=C(CN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O)N1CCOCC1 ZINC000000346013 395680205 /nfs/dbraw/zinc/68/02/05/395680205.db2.gz PLHCDBTUOCTQFG-GHMZBOCLSA-N 0 0 312.753 0.363 50 0 DCAARN O=C([O-])[C@@H](CC(=O)NCc1cccnc1)[NH2+]Cc1cccnc1 ZINC000000352271 395680323 /nfs/dbraw/zinc/68/03/23/395680323.db2.gz NSTBOEZGXFWMKG-CQSZACIVSA-N 0 0 314.345 0.726 50 0 DCAARN Cn1nnc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000000557571 395680551 /nfs/dbraw/zinc/68/05/51/395680551.db2.gz KLKFAUWGAQLXMU-UHFFFAOYSA-N 0 0 306.307 0.066 50 0 DCAARN NC(=O)C1CCN(C(=O)[C@H]2CC(c3ccccc3O)=NO2)CC1 ZINC000000815005 395680717 /nfs/dbraw/zinc/68/07/17/395680717.db2.gz GGIVGBOIBFVZBA-CQSZACIVSA-N 0 0 317.345 0.609 50 0 DCAARN COC(=O)CSC[C@H](NC(=O)c1ccccc1)C(=O)OC ZINC000001652086 395680875 /nfs/dbraw/zinc/68/08/75/395680875.db2.gz UGVRTIQVOVBKSL-NSHDSACASA-N 0 0 311.359 0.864 50 0 DCAARN COc1ccc(Cc2c(N)nc(Cn3cncn3)nc2N)cc1 ZINC000002243944 395681372 /nfs/dbraw/zinc/68/13/72/395681372.db2.gz QAGHCSUIFCMYFV-UHFFFAOYSA-N 0 0 311.349 0.880 50 0 DCAARN COC(=O)Cn1cc(C(=O)OC)cc(Br)c1=O ZINC000002292879 395681382 /nfs/dbraw/zinc/68/13/82/395681382.db2.gz GLRARKMEUKIFLD-UHFFFAOYSA-N 0 0 304.096 0.570 50 0 DCAARN CN1C(=O)N[C@@](NC(=O)c2ccccc2F)(C(F)(F)F)C1=O ZINC000002378992 395681618 /nfs/dbraw/zinc/68/16/18/395681618.db2.gz NGNBPGQOTWPRCI-LLVKDONJSA-N 0 0 319.214 0.996 50 0 DCAARN COC(=O)CNC(=O)COC(=O)c1cc(=O)c2ccccc2o1 ZINC000002632763 395681640 /nfs/dbraw/zinc/68/16/40/395681640.db2.gz NUFROJMXAMWFTG-UHFFFAOYSA-N 0 0 319.269 0.239 50 0 DCAARN CCn1cc(NC(=O)c2c(Cl)c(C)nn2C)c(C(N)=O)n1 ZINC000002781265 395681968 /nfs/dbraw/zinc/68/19/68/395681968.db2.gz GTJOUHUQJZJDHH-UHFFFAOYSA-N 0 0 310.745 0.950 50 0 DCAARN COC(CNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)OC ZINC000003008259 395682025 /nfs/dbraw/zinc/68/20/25/395682025.db2.gz UFGYYHVUYQCOAH-CQSZACIVSA-N 0 0 320.389 0.813 50 0 DCAARN CNC(=O)NC(=O)COC(=O)Cc1coc2cc(OC)ccc12 ZINC000003365799 395682415 /nfs/dbraw/zinc/68/24/15/395682415.db2.gz DYLWOOXPUMYUGW-UHFFFAOYSA-N 0 0 320.301 0.983 50 0 DCAARN CC(=O)Cn1c(C2CCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000005378030 395682628 /nfs/dbraw/zinc/68/26/28/395682628.db2.gz PASNCDVUEKVJFU-UHFFFAOYSA-N 0 0 304.350 0.680 50 0 DCAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(N)=O ZINC000005083889 395682657 /nfs/dbraw/zinc/68/26/57/395682657.db2.gz OYSCZIKCLGPOJS-UHFFFAOYSA-N 0 0 314.392 0.281 50 0 DCAARN CC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000005077239 395682670 /nfs/dbraw/zinc/68/26/70/395682670.db2.gz ANZCCIVWEWKPQH-HNNXBMFYSA-N 0 0 304.302 0.814 50 0 DCAARN Cn1c2nc3n(c2c(=O)[nH]c1=O)CCCN3Cc1ccco1 ZINC000005453327 395682704 /nfs/dbraw/zinc/68/27/04/395682704.db2.gz HVAGUUWVWIVBKL-UHFFFAOYSA-N 0 0 301.306 0.427 50 0 DCAARN O=C(CNC(=O)c1cccs1)NCc1nnc2ccccn21 ZINC000007898669 395683714 /nfs/dbraw/zinc/68/37/14/395683714.db2.gz MPMWUCKTMAIKKT-UHFFFAOYSA-N 0 0 315.358 0.837 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)NCc2ccccn2)n(C)c1 ZINC000029694934 395700001 /nfs/dbraw/zinc/70/00/01/395700001.db2.gz DBGJHNPXWNLBEX-UHFFFAOYSA-N 0 0 308.363 0.258 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)c2ccc3c(c2)CCO3)CC1 ZINC000029825355 395700052 /nfs/dbraw/zinc/70/00/52/395700052.db2.gz CCRWDEJDTVKHGG-UHFFFAOYSA-N 0 0 324.402 0.775 50 0 DCAARN CC[C@@H](C)NC(=O)Cn1nnn(-c2ccccc2Cl)c1=O ZINC000029950390 395700998 /nfs/dbraw/zinc/70/09/98/395700998.db2.gz HGVIEAZPIXFXDH-SECBINFHSA-N 0 0 309.757 0.997 50 0 DCAARN CCOC(=O)N1CCC[C@@H](C(=O)N2CCC(C(N)=O)CC2)C1 ZINC000030554498 395702838 /nfs/dbraw/zinc/70/28/38/395702838.db2.gz VGPFQZABXNLULX-GFCCVEGCSA-N 0 0 311.382 0.579 50 0 DCAARN CN(C(=O)CN1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000030594469 395703433 /nfs/dbraw/zinc/70/34/33/395703433.db2.gz PFCIVAJBVGQJGH-LBPRGKRZSA-N 0 0 324.402 0.531 50 0 DCAARN COc1ccc(C)cc1CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000030912817 395704795 /nfs/dbraw/zinc/70/47/95/395704795.db2.gz BIXNSCRFJJVCOB-LBPRGKRZSA-N 0 0 319.361 0.651 50 0 DCAARN CC(=O)N1CCN(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000030981616 395705111 /nfs/dbraw/zinc/70/51/11/395705111.db2.gz ODEDXXWNRYQCJK-CYBMUJFWSA-N 0 0 319.361 0.700 50 0 DCAARN C[C@H]1C[C@H]1C(=O)NCCC(=O)N1CCN(c2nccs2)CC1 ZINC000031537507 395707168 /nfs/dbraw/zinc/70/71/68/395707168.db2.gz AAOXOMDJANNKQZ-NWDGAFQWSA-N 0 0 322.434 0.954 50 0 DCAARN CCn1cc(S(=O)(=O)NC[C@@H](O)Cc2ccccc2)cn1 ZINC000089309913 395710048 /nfs/dbraw/zinc/71/00/48/395710048.db2.gz XCHYDHZVJFKDGF-ZDUSSCGKSA-N 0 0 309.391 0.785 50 0 DCAARN O=C(Cn1nnc2ccccc21)NCCCN1CCOCC1 ZINC000032611344 395711571 /nfs/dbraw/zinc/71/15/71/395711571.db2.gz BZGWEKBAKHTQPF-UHFFFAOYSA-N 0 0 303.366 0.270 50 0 DCAARN COc1ccc(C2=CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)cc1 ZINC000089438969 395711746 /nfs/dbraw/zinc/71/17/46/395711746.db2.gz PGTHBOVIFMKJKY-AWEZNQCLSA-N 0 0 301.346 0.992 50 0 DCAARN Cc1noc2ncc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc12 ZINC000089568238 395713079 /nfs/dbraw/zinc/71/30/79/395713079.db2.gz GYZFPNJXROTIOT-SNVBAGLBSA-N 0 0 309.347 0.790 50 0 DCAARN COCC(=O)Nc1ccc(N[C@@H](C)C(=O)N2CCNC2=O)cc1 ZINC000032771665 395713332 /nfs/dbraw/zinc/71/33/32/395713332.db2.gz VWZFCJPGRGBPGM-JTQLQIEISA-N 0 0 320.349 0.624 50 0 DCAARN Cc1cc(=O)n2nc(Sc3nnnn3C3CC3)sc2n1 ZINC000032824970 395713764 /nfs/dbraw/zinc/71/37/64/395713764.db2.gz GTHRCQXWKITJHK-UHFFFAOYSA-N 0 0 307.364 0.932 50 0 DCAARN O=C(CNC(=O)c1ccco1)NCc1nnc2n1CCCCC2 ZINC000032902608 395714161 /nfs/dbraw/zinc/71/41/61/395714161.db2.gz IKDNPLCPHKUDFF-UHFFFAOYSA-N 0 0 317.349 0.644 50 0 DCAARN O=C(NC1(CO)CC1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000089793885 395715351 /nfs/dbraw/zinc/71/53/51/395715351.db2.gz NMFZBYZGIFWAHF-UHFFFAOYSA-N 0 0 303.293 0.626 50 0 DCAARN COc1ncccc1CNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000033017296 395716076 /nfs/dbraw/zinc/71/60/76/395716076.db2.gz KDBISPXOAJSJMJ-LLVKDONJSA-N 0 0 313.379 0.130 50 0 DCAARN CNC(=O)c1nnsc1N1CCN(c2ncccn2)CC1 ZINC000033435886 395716968 /nfs/dbraw/zinc/71/69/68/395716968.db2.gz ZQNSEQZDUAGRNJ-UHFFFAOYSA-N 0 0 305.367 0.014 50 0 DCAARN C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000089941501 395716961 /nfs/dbraw/zinc/71/69/61/395716961.db2.gz LJFKXMVPHFZMOA-SSDOTTSWSA-N 0 0 318.308 0.956 50 0 DCAARN CCc1nnsc1C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000035310633 395720250 /nfs/dbraw/zinc/72/02/50/395720250.db2.gz DCSFOQCUZMIRAV-UHFFFAOYSA-N 0 0 323.422 0.137 50 0 DCAARN CN(C)S(=O)(=O)N[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000036109625 395722401 /nfs/dbraw/zinc/72/24/01/395722401.db2.gz HQYDCMLEZAMTLW-ZDUSSCGKSA-N 0 0 311.407 0.746 50 0 DCAARN O=C(N[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1C1CC1)c1cc(=O)[n-]o1 ZINC000091452615 395724723 /nfs/dbraw/zinc/72/47/23/395724723.db2.gz OJMKJUXBFFZTFA-OLZOCXBDSA-N 0 0 321.377 0.999 50 0 DCAARN Cn1cnc(S(=O)(=O)NCCc2cccnc2)c1Cl ZINC000027973142 395695489 /nfs/dbraw/zinc/69/54/89/395695489.db2.gz COIODCKGFKCMKH-UHFFFAOYSA-N 0 0 300.771 0.990 50 0 DCAARN CCN1C(=O)C[C@H](N2CCN(c3ccc(O)cc3)CC2)C1=O ZINC000028740758 395696246 /nfs/dbraw/zinc/69/62/46/395696246.db2.gz CISBHSPZJXVBSQ-AWEZNQCLSA-N 0 0 303.362 0.662 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc3c(c2)CCO3)C1 ZINC000029204735 395697071 /nfs/dbraw/zinc/69/70/71/395697071.db2.gz CDLVRSVYNTUXKM-ZDUSSCGKSA-N 0 0 324.402 0.775 50 0 DCAARN Cn1ccc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)n1 ZINC000029439225 395698159 /nfs/dbraw/zinc/69/81/59/395698159.db2.gz GFJNLRLPCDAYGT-GFCCVEGCSA-N 0 0 312.333 0.479 50 0 DCAARN O=C(CN1CCN(c2ccccc2O)CC1)NC[C@H]1CCCO1 ZINC000029636190 395699104 /nfs/dbraw/zinc/69/91/04/395699104.db2.gz RVRCVMLZUXWUBA-CQSZACIVSA-N 0 0 319.405 0.809 50 0 DCAARN CS(=O)(=O)N1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000038530285 395732320 /nfs/dbraw/zinc/73/23/20/395732320.db2.gz VWWYWNMRPHYARH-UHFFFAOYSA-N 0 0 311.411 0.158 50 0 DCAARN COc1ccccc1N1CCN(CCNS(C)(=O)=O)CC1 ZINC000038589681 395732519 /nfs/dbraw/zinc/73/25/19/395732519.db2.gz MTTBNGAJBCDVEW-UHFFFAOYSA-N 0 0 313.423 0.366 50 0 DCAARN CCOC(=O)N1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1 ZINC000041604395 395738511 /nfs/dbraw/zinc/73/85/11/395738511.db2.gz SANFPFPLSJPSPD-UHFFFAOYSA-N 0 0 306.366 0.927 50 0 DCAARN CCOC(=O)N1CCN(C(=O)c2cnn(C)c2Cl)CC1 ZINC000096181091 395746917 /nfs/dbraw/zinc/74/69/17/395746917.db2.gz GXYHRXHTEHWBBL-UHFFFAOYSA-N 0 0 300.746 0.988 50 0 DCAARN CN1C(=O)CO[C@H](C(=O)N2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000096181703 395747175 /nfs/dbraw/zinc/74/71/75/395747175.db2.gz HTBAQCSMBNAMKE-CABCVRRESA-N 0 0 322.336 0.583 50 0 DCAARN CCS(=O)(=O)NCc1nc(C)cc(N2CCOCC2)n1 ZINC000096120929 395745605 /nfs/dbraw/zinc/74/56/05/395745605.db2.gz JHPBXTBMVPTGME-UHFFFAOYSA-N 0 0 300.384 0.061 50 0 DCAARN C[C@]1(O)CCN(C(=O)c2ccc3c(c2)NC(=O)CN3)C[C@@H]1O ZINC000096131825 395745642 /nfs/dbraw/zinc/74/56/42/395745642.db2.gz SMVKQASYAQJOHY-WFASDCNBSA-N 0 0 305.334 0.008 50 0 DCAARN CC(=O)NCCc1nc([C@H](O)c2ccccc2)nn1CCO ZINC000096137227 395745649 /nfs/dbraw/zinc/74/56/49/395745649.db2.gz PSVIMNHCDFADCA-CQSZACIVSA-N 0 0 304.350 0.031 50 0 DCAARN O=C(c1ccc(N2CCCC2=O)cc1)N1CCOC[C@@H](CO)C1 ZINC000096139880 395746212 /nfs/dbraw/zinc/74/62/12/395746212.db2.gz YAICBIVPWCPBOB-CYBMUJFWSA-N 0 0 318.373 0.894 50 0 DCAARN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCC(=O)NC(C)C ZINC000096437522 395753207 /nfs/dbraw/zinc/75/32/07/395753207.db2.gz MPZFHLCNWBHDKG-JTQLQIEISA-N 0 0 309.414 0.792 50 0 DCAARN Cc1n[nH]c(C)c1NC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000096441466 395753238 /nfs/dbraw/zinc/75/32/38/395753238.db2.gz SEMLPPBECDWGQT-ZWNOBZJWSA-N 0 0 319.409 0.765 50 0 DCAARN C[C@H]1C[C@H]1C(=O)N1CCN(CC(=O)Nc2ccncc2)CC1 ZINC000096443483 395753313 /nfs/dbraw/zinc/75/33/13/395753313.db2.gz HDPSLRGLKFZSJT-GXTWGEPZSA-N 0 0 302.378 0.820 50 0 DCAARN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCS(=O)(=O)C[C@@H]1C ZINC000096417898 395753372 /nfs/dbraw/zinc/75/33/72/395753372.db2.gz PYLNAPPSWBGXTA-XQQFMLRXSA-N 0 0 302.440 0.895 50 0 DCAARN CC(C)Cn1ncnc1CN1CCC[C@@H]1C(=O)N1CCOCC1 ZINC000096497113 395754217 /nfs/dbraw/zinc/75/42/17/395754217.db2.gz HAPXSPJGTKUYHQ-CQSZACIVSA-N 0 0 321.425 0.757 50 0 DCAARN Cn1cc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)cn1 ZINC000096496848 395754336 /nfs/dbraw/zinc/75/43/36/395754336.db2.gz VAEOHTLABJCECY-LLVKDONJSA-N 0 0 310.383 0.113 50 0 DCAARN OCCn1ncc2c1ncnc2NCCNc1cnccn1 ZINC000097200188 395755755 /nfs/dbraw/zinc/75/57/55/395755755.db2.gz YMXYZCUHALIZCC-UHFFFAOYSA-N 0 0 300.326 0.133 50 0 DCAARN OCCc1cnc2c(-c3n[nH]c([C@H]4CCOC4)n3)cnn2c1 ZINC000097347208 395757191 /nfs/dbraw/zinc/75/71/91/395757191.db2.gz HMXVVJQXDBOZKT-JTQLQIEISA-N 0 0 300.322 0.553 50 0 DCAARN Cc1n[nH]nc1-c1nc(CC(N)=O)nn1Cc1ccc(C)cc1 ZINC000097547749 395758520 /nfs/dbraw/zinc/75/85/20/395758520.db2.gz WMWLUFMOKNKVKL-UHFFFAOYSA-N 0 0 311.349 0.756 50 0 DCAARN COC[C@H]1CCCN1C(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000097569002 395758626 /nfs/dbraw/zinc/75/86/26/395758626.db2.gz MZPKZPAICVATRJ-SECBINFHSA-N 0 0 316.354 0.724 50 0 DCAARN COCc1ccc(C(=O)N2CCN(C(C)=O)C[C@@H](O)C2)s1 ZINC000097619660 395759398 /nfs/dbraw/zinc/75/93/98/395759398.db2.gz MKRCUXLEYOWIHX-LLVKDONJSA-N 0 0 312.391 0.560 50 0 DCAARN O=C([O-])[C@H]1CN(C(=O)c2cn[nH]c2)CC[N@@H+](C2CCOCC2)C1 ZINC000097657315 395760063 /nfs/dbraw/zinc/76/00/63/395760063.db2.gz YWWXWNSRCSQONQ-GFCCVEGCSA-N 0 0 322.365 0.047 50 0 DCAARN Cn1c(=O)n(CC(=O)NCc2cccs2)c2cncnc21 ZINC000097940688 395761300 /nfs/dbraw/zinc/76/13/00/395761300.db2.gz UWVUDTDMFCXSGQ-UHFFFAOYSA-N 0 0 303.347 0.508 50 0 DCAARN CCn1c2ccccc2n(CC(=O)N[C@H](C)C(=O)N(C)C)c1=N ZINC000101902380 395767511 /nfs/dbraw/zinc/76/75/11/395767511.db2.gz RHGKCFFSSQWWIB-LLVKDONJSA-N 0 0 317.393 0.535 50 0 DCAARN CCOC(=O)N1CCN(C(=O)c2nnc3ccccc3n2)CC1 ZINC000046088244 395770704 /nfs/dbraw/zinc/77/07/04/395770704.db2.gz FZBUONYGORIFBB-UHFFFAOYSA-N 0 0 315.333 0.939 50 0 DCAARN CN1C[C@@H](C(=O)N2CCN(Cc3ccccn3)CC2)CC1=O ZINC000046176227 395772282 /nfs/dbraw/zinc/77/22/82/395772282.db2.gz GSVBBPGGYWZJLQ-ZDUSSCGKSA-N 0 0 302.378 0.204 50 0 DCAARN C[C@H]1CCNC(=O)[C@@H]1NC(=O)NCCc1cn2ccccc2n1 ZINC000193750077 395778288 /nfs/dbraw/zinc/77/82/88/395778288.db2.gz UFQVSLHBXXBUJF-SMDDNHRTSA-N 0 0 315.377 0.701 50 0 DCAARN COC[C@@H](C)NC(=O)NC(=O)CN1CCN(C)c2ccccc21 ZINC000111303097 395806766 /nfs/dbraw/zinc/80/67/66/395806766.db2.gz ZRSRUECZLQSUAY-GFCCVEGCSA-N 0 0 320.393 0.804 50 0 DCAARN CN(C)[C@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccco1 ZINC000048261377 395811456 /nfs/dbraw/zinc/81/14/56/395811456.db2.gz HCRBONQYZXICIS-GHMZBOCLSA-N 0 0 315.395 0.369 50 0 DCAARN CCOCCNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000048601389 395818405 /nfs/dbraw/zinc/81/84/05/395818405.db2.gz LLDRYHXSGBQZNH-UHFFFAOYSA-N 0 0 321.420 0.942 50 0 DCAARN COc1ccc(O[C@H]2CCN(C(=O)c3snnc3C)C2)nn1 ZINC000225435759 395859756 /nfs/dbraw/zinc/85/97/56/395859756.db2.gz BIWGPEYVKZRGDN-VIFPVBQESA-N 0 0 321.362 0.939 50 0 DCAARN COC(=O)[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000050607338 395839325 /nfs/dbraw/zinc/83/93/25/395839325.db2.gz SXEUBIDBOJOIIA-ZYHUDNBSSA-N 0 0 308.334 0.952 50 0 DCAARN Cc1nnnn1CCC(=O)NCc1noc(-c2ccccc2)n1 ZINC000219455752 395845569 /nfs/dbraw/zinc/84/55/69/395845569.db2.gz IIQGIYVKEFUOMO-UHFFFAOYSA-N 0 0 313.321 0.738 50 0 DCAARN Cc1nnc(N2CCN(C[C@H](O)C(F)(F)F)CC2)nc1C ZINC000225454154 395860750 /nfs/dbraw/zinc/86/07/50/395860750.db2.gz KCEHMYWTGXKQGP-JTQLQIEISA-N 0 0 305.304 0.534 50 0 DCAARN O=C(CCc1nc2ccccc2[nH]c1=O)N[C@@H]1COCC[C@H]1O ZINC000219880963 395847137 /nfs/dbraw/zinc/84/71/37/395847137.db2.gz SRHUNFSEUJECGC-ZIAGYGMSSA-N 0 0 317.345 0.534 50 0 DCAARN C[C@]1(C(=O)N2CCN(c3ccc4nccn4n3)CC2)CCCO1 ZINC000220050676 395847316 /nfs/dbraw/zinc/84/73/16/395847316.db2.gz XJPDEQGTTCKCBY-MRXNPFEDSA-N 0 0 315.377 0.947 50 0 DCAARN O=C(Cn1ccnn1)N[C@@H]1COCC[C@H]1OCc1ccccn1 ZINC000220257931 395847910 /nfs/dbraw/zinc/84/79/10/395847910.db2.gz OSIDEBCKUHEXQI-ZIAGYGMSSA-N 0 0 317.349 0.164 50 0 DCAARN Cc1nc(SCC(=O)NCCCn2c(C)cccc2=O)n[nH]1 ZINC000221324598 395850221 /nfs/dbraw/zinc/85/02/21/395850221.db2.gz PBGQHTDNUQWVJC-UHFFFAOYSA-N 0 0 321.406 0.882 50 0 DCAARN CCCCOCC(=O)N1CCCn2nc([C@H](O)CO)cc2C1 ZINC000221365886 395850620 /nfs/dbraw/zinc/85/06/20/395850620.db2.gz XNLPWOQJKFQBLK-CQSZACIVSA-N 0 0 311.382 0.458 50 0 DCAARN Cc1ccc(/C=C\C(=O)NCC(C)(C)NS(C)(=O)=O)cn1 ZINC000222187109 395851900 /nfs/dbraw/zinc/85/19/00/395851900.db2.gz OPTMEPCZCJJZPS-FPLPWBNLSA-N 0 0 311.407 0.847 50 0 DCAARN Cc1cc(=O)c2cccc(C(=O)N[C@@H]3CCOC[C@H]3O)c2[nH]1 ZINC000222562611 395852766 /nfs/dbraw/zinc/85/27/66/395852766.db2.gz HRXLISNRDBTGLN-TZMCWYRMSA-N 0 0 302.330 0.716 50 0 DCAARN CC(C)CN1CCN(C(=O)c2cc(CO)ccn2)[C@H](C)C1=O ZINC000222524175 395852873 /nfs/dbraw/zinc/85/28/73/395852873.db2.gz SGWTXHLIPDMGSB-GFCCVEGCSA-N 0 0 305.378 0.903 50 0 DCAARN COCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223354349 395854737 /nfs/dbraw/zinc/85/47/37/395854737.db2.gz ZCXNYGPHAZBMIG-LBPRGKRZSA-N 0 0 320.345 0.669 50 0 DCAARN CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1ccc2[nH]cnc2c1 ZINC000223422667 395855122 /nfs/dbraw/zinc/85/51/22/395855122.db2.gz SBTFJUPGYYZIAF-CHWSQXEVSA-N 0 0 311.363 0.645 50 0 DCAARN CCO[C@H]1CN(C(=O)c2cc(CC(C)C)nc(=O)[nH]2)C[C@@H]1O ZINC000223619104 395855561 /nfs/dbraw/zinc/85/55/61/395855561.db2.gz ITMNQLKKFRBQTN-STQMWFEESA-N 0 0 309.366 0.190 50 0 DCAARN O=C(Cc1ccncc1)N1CCCn2nc([C@H](O)CO)cc2C1 ZINC000223690547 395856673 /nfs/dbraw/zinc/85/66/73/395856673.db2.gz IHNFFCVXLUMBEK-OAHLLOKOSA-N 0 0 316.361 0.279 50 0 DCAARN O=C(NCc1ccc(N2CCOCC2)nc1)c1cnns1 ZINC000047414241 395792586 /nfs/dbraw/zinc/79/25/86/395792586.db2.gz AICNWXZLUYBDBC-UHFFFAOYSA-N 0 0 305.363 0.700 50 0 DCAARN Cc1noc([C@H]2CCCN(C(=O)CN3CSCC3=O)C2)n1 ZINC000054122028 395894052 /nfs/dbraw/zinc/89/40/52/395894052.db2.gz BNSSRCWQHZNING-JTQLQIEISA-N 0 0 310.379 0.617 50 0 DCAARN C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCN(c2nccs2)CC1 ZINC000054620883 395903948 /nfs/dbraw/zinc/90/39/48/395903948.db2.gz XOLMBBSQYNTWHH-STQMWFEESA-N 0 0 324.450 0.949 50 0 DCAARN CCC(=O)Nc1cccc(C(=O)NCCN2CCNC2=O)c1 ZINC000055271457 395915737 /nfs/dbraw/zinc/91/57/37/395915737.db2.gz AFCMLXIFTLAQDJ-UHFFFAOYSA-N 0 0 304.350 0.790 50 0 DCAARN COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)C2CCCC2)C1 ZINC000244882469 395926352 /nfs/dbraw/zinc/92/63/52/395926352.db2.gz XSJJXYRAECNCND-BETUJISGSA-N 0 0 322.409 0.969 50 0 DCAARN Cc1cc(OC2CN(S(=O)(=O)c3c[nH]cn3)C2)cc(=O)o1 ZINC000225696469 395862544 /nfs/dbraw/zinc/86/25/44/395862544.db2.gz XLQLGFQLPGFINT-UHFFFAOYSA-N 0 0 311.319 0.123 50 0 DCAARN Cn1cccc(C(=O)N2CC[C@@H](Oc3cnccn3)C2)c1=O ZINC000225792005 395863697 /nfs/dbraw/zinc/86/36/97/395863697.db2.gz DTQMUOKFCDKAOR-LLVKDONJSA-N 0 0 300.318 0.469 50 0 DCAARN CC(C)(C)n1cc(C(=O)NCC2(C(N)=O)CCOCC2)cn1 ZINC000052745439 395869283 /nfs/dbraw/zinc/86/92/83/395869283.db2.gz VIRZJZTVQQICAU-UHFFFAOYSA-N 0 0 308.382 0.650 50 0 DCAARN Cc1nc(CN2CCC[C@H](N(C)[C@@H]3C[C@@H](C)OC3=O)C2)no1 ZINC000229428514 395874586 /nfs/dbraw/zinc/87/45/86/395874586.db2.gz CYKUPQXYNMCGJM-KGYLQXTDSA-N 0 0 308.382 0.978 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCO[C@@H](Cn3cccn3)C2)on1 ZINC000229502998 395874698 /nfs/dbraw/zinc/87/46/98/395874698.db2.gz FEMMLUGHSVHJFN-CHWSQXEVSA-N 0 0 319.365 0.908 50 0 DCAARN CS(=O)(=O)CCN1C(=O)N[C@]2(CCCc3ccccc32)C1=O ZINC000053118400 395876416 /nfs/dbraw/zinc/87/64/16/395876416.db2.gz DBCUIXOZDNYYQH-HNNXBMFYSA-N 0 0 322.386 0.815 50 0 DCAARN Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000053525756 395885534 /nfs/dbraw/zinc/88/55/34/395885534.db2.gz HQPKVDKRRCZNNZ-UHFFFAOYSA-N 0 0 311.349 0.820 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)OC12CCCCC2 ZINC000057355716 395943517 /nfs/dbraw/zinc/94/35/17/395943517.db2.gz LFPIVNOBQOCCDV-QWRGUYRKSA-N 0 0 315.391 0.556 50 0 DCAARN O=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1ccncc1 ZINC000061717836 395970506 /nfs/dbraw/zinc/97/05/06/395970506.db2.gz MNOPXWYDJVZFGW-UHFFFAOYSA-N 0 0 315.333 0.114 50 0 DCAARN Cc1cc(=O)n(CCN2CCOCC2)c(N2CCCCC2)n1 ZINC000065307420 395992084 /nfs/dbraw/zinc/99/20/84/395992084.db2.gz YTBBJYMREQYYJR-UHFFFAOYSA-N 0 0 306.410 0.874 50 0 DCAARN CCOC(=O)C1(O)CCN(c2ccc3nc(C)nn3n2)CC1 ZINC000252495750 396022013 /nfs/dbraw/zinc/02/20/13/396022013.db2.gz OYYPBGFJMNIPPS-UHFFFAOYSA-N 0 0 305.338 0.327 50 0 DCAARN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCCC[C@H]1Cn1cncn1 ZINC000253374208 396026250 /nfs/dbraw/zinc/02/62/50/396026250.db2.gz LNZIKERFRJALBS-ILXRZTDVSA-N 0 0 321.425 0.816 50 0 DCAARN COC[C@@H]1CN(C(=O)CCc2ccc(OC)cc2)C[C@H]1C(N)=O ZINC000253400670 396027126 /nfs/dbraw/zinc/02/71/26/396027126.db2.gz FCAUCJCSZHXVIS-DZGCQCFKSA-N 0 0 320.389 0.834 50 0 DCAARN CCN1C[C@@H](NC(=O)c2ccc(-c3nnn(C)n3)cc2)CC1=O ZINC000067489583 396027162 /nfs/dbraw/zinc/02/71/62/396027162.db2.gz JXXWGSCVSBWHHO-LBPRGKRZSA-N 0 0 314.349 0.228 50 0 DCAARN COC(=O)C[C@H]1CSCCN1C[C@H]1CCCS(=O)(=O)C1 ZINC000253416317 396027732 /nfs/dbraw/zinc/02/77/32/396027732.db2.gz ARXBKPGDNQDJKG-NEPJUHHUSA-N 0 0 321.464 0.792 50 0 DCAARN Nc1nc([C@H]2C[C@@H](NC(=O)c3ccncc3F)C2)cc(=O)[nH]1 ZINC000253534811 396029823 /nfs/dbraw/zinc/02/98/23/396029823.db2.gz GQBJHVGJOQGREL-OCAPTIKFSA-N 0 0 303.297 0.975 50 0 DCAARN CC(C)Cc1cc(CN2CCN3CCN(C)C(=O)[C@@H]3C2)[nH]n1 ZINC000067654437 396030057 /nfs/dbraw/zinc/03/00/57/396030057.db2.gz DVEYLTYNUJMOQS-HNNXBMFYSA-N 0 0 305.426 0.566 50 0 DCAARN CCn1nc(C(=O)[O-])c2c1CC[C@H]([NH2+]CCn1cc(C)nn1)C2 ZINC000067756359 396032647 /nfs/dbraw/zinc/03/26/47/396032647.db2.gz UAQGKODMSADLMK-NSHDSACASA-N 0 0 318.381 0.648 50 0 DCAARN COC(=O)[C@H](C)NC(=O)COc1nn(C)c2nc(C)cc(C)c12 ZINC000067793752 396034123 /nfs/dbraw/zinc/03/41/23/396034123.db2.gz QHJUNSXITYGGIU-JTQLQIEISA-N 0 0 320.349 0.642 50 0 DCAARN C[N@@H+]1CCN(C(=O)c2[nH]cnc2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000067805411 396034423 /nfs/dbraw/zinc/03/44/23/396034423.db2.gz ZCDKLKBWZBAOLW-LBPRGKRZSA-N 0 0 314.345 0.918 50 0 DCAARN Cc1noc([C@@]23CN(C(=O)C(C)C)C[C@@H]2CC[N@H+](CCO)C3)n1 ZINC000257192744 396035149 /nfs/dbraw/zinc/03/51/49/396035149.db2.gz VPVGIAJBKPWXAZ-BBRMVZONSA-N 0 0 322.409 0.428 50 0 DCAARN Cn1c(CO)nnc1C1CCN(Cc2nnc(C3CC3)o2)CC1 ZINC000252482352 396020089 /nfs/dbraw/zinc/02/00/89/396020089.db2.gz DDRJBBXDNXANAW-UHFFFAOYSA-N 0 0 318.381 0.947 50 0 DCAARN O=C([C@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1Cn1cccn1 ZINC000069709362 396087863 /nfs/dbraw/zinc/08/78/63/396087863.db2.gz ZVPPBTCABTXUDH-STQMWFEESA-N 0 0 311.407 0.699 50 0 DCAARN C[C@@H](c1ccccc1)N1C(=O)C(=O)N(CCn2cncn2)C1=O ZINC000069739296 396088501 /nfs/dbraw/zinc/08/85/01/396088501.db2.gz NZJWCEJVVRGMGV-NSHDSACASA-N 0 0 313.317 0.830 50 0 DCAARN Cc1ccccc1C[C@@H](C)NC(=O)CN1CCN(CCO)CC1 ZINC000069772122 396090455 /nfs/dbraw/zinc/09/04/55/396090455.db2.gz OYUSOVICLSFAJL-MRXNPFEDSA-N 0 0 319.449 0.652 50 0 DCAARN CCNC(=O)N1CCN(C(=O)CCOCC(F)(F)F)CC1 ZINC000069816952 396090945 /nfs/dbraw/zinc/09/09/45/396090945.db2.gz LYULMWXXKZJQAS-UHFFFAOYSA-N 0 0 311.304 0.829 50 0 DCAARN CN(c1cccnc1)S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000069809670 396091023 /nfs/dbraw/zinc/09/10/23/396091023.db2.gz HTUBQWXLWIOSTC-UHFFFAOYSA-N 0 0 316.346 0.882 50 0 DCAARN CCC(=O)N1CCN([C@@]2(CC)CCN(C(=O)COC)C2)CC1 ZINC000169752026 396091022 /nfs/dbraw/zinc/09/10/22/396091022.db2.gz CUYRQNFFVABRRZ-INIZCTEOSA-N 0 0 311.426 0.568 50 0 DCAARN COCCN1CCN(CCS(=O)(=O)C(F)(F)F)CC1 ZINC000069814258 396091324 /nfs/dbraw/zinc/09/13/24/396091324.db2.gz XUDHHTOODAUWNV-UHFFFAOYSA-N 0 0 304.334 0.185 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1ncnc(N)c1Cl ZINC000277893249 396093007 /nfs/dbraw/zinc/09/30/07/396093007.db2.gz TUVWVWXHSHMOOJ-JGVFFNPUSA-N 0 0 319.818 0.842 50 0 DCAARN O=C(C1CC1)N1CCC2(CC1)N(CC1CC1)C(=O)C[S@@]2=O ZINC000169791753 396093285 /nfs/dbraw/zinc/09/32/85/396093285.db2.gz JIMSEEZKBCPDEZ-NRFANRHFSA-N 0 0 310.419 0.716 50 0 DCAARN CN1N=C(C(=O)N2CCCC[C@@H]2Cn2cccn2)CCC1=O ZINC000069971820 396097304 /nfs/dbraw/zinc/09/73/04/396097304.db2.gz NGSIIOXDJSWMLI-GFCCVEGCSA-N 0 0 303.366 0.872 50 0 DCAARN Cc1cc(NC(=O)c2cc(C)nc(N3CCOCC3)n2)n(C)n1 ZINC000071195476 396110727 /nfs/dbraw/zinc/11/07/27/396110727.db2.gz ZVRDFRGOBLTGIQ-UHFFFAOYSA-N 0 0 316.365 0.916 50 0 DCAARN Cc1cc(C(=O)NCc2cccnc2)nc(N2CCOCC2)n1 ZINC000071195513 396110779 /nfs/dbraw/zinc/11/07/79/396110779.db2.gz LEPGAHVEKKBEIW-UHFFFAOYSA-N 0 0 313.361 0.947 50 0 DCAARN Cc1cc(C(=O)NCc2ccncc2)nc(N2CCOCC2)n1 ZINC000071195510 396110969 /nfs/dbraw/zinc/11/09/69/396110969.db2.gz DNCCAYSKGUQSPM-UHFFFAOYSA-N 0 0 313.361 0.947 50 0 DCAARN CCn1nc(C)c(CCC(=O)N[C@H]2CCS(=O)(=O)C2)c1C ZINC000071195401 396111060 /nfs/dbraw/zinc/11/10/60/396111060.db2.gz BBBIWMFWTVNFOV-LBPRGKRZSA-N 0 0 313.423 0.756 50 0 DCAARN Cc1nc(-n2cccn2)cc(N2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)n1 ZINC000071416330 396113168 /nfs/dbraw/zinc/11/31/68/396113168.db2.gz DONAGIKNTRWCKF-CRWXNKLISA-N 0 0 315.377 0.539 50 0 DCAARN Cc1nccc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000071816959 396116126 /nfs/dbraw/zinc/11/61/26/396116126.db2.gz NVAKYWDNWGEGGO-ZDUSSCGKSA-N 0 0 318.377 0.496 50 0 DCAARN COc1ccnc(N2CCN(C(=O)c3cc(C)nn3C)CC2)n1 ZINC000071819954 396116325 /nfs/dbraw/zinc/11/63/25/396116325.db2.gz ANHFFWPFCKQXII-UHFFFAOYSA-N 0 0 316.365 0.490 50 0 DCAARN NC(=O)[C@@H](CNC(=O)[C@@H]1COCCO1)Cc1ccc(F)cc1 ZINC000071826878 396116685 /nfs/dbraw/zinc/11/66/85/396116685.db2.gz WZMLTIQPOKUBPK-YPMHNXCESA-N 0 0 310.325 0.001 50 0 DCAARN O=C(C1CCN(c2ncccn2)CC1)N1CCN(C2CC2)CC1 ZINC000071836657 396117816 /nfs/dbraw/zinc/11/78/16/396117816.db2.gz HGUDGYSSXWSAPO-UHFFFAOYSA-N 0 0 315.421 1.000 50 0 DCAARN CCCC[C@H](NC(N)=O)C(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000071831118 396117825 /nfs/dbraw/zinc/11/78/25/396117825.db2.gz XUFXYPLYVDEWRF-NWDGAFQWSA-N 0 0 306.366 0.556 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)N1CC[C@H](c2ccccc2)C1 ZINC000071844151 396118999 /nfs/dbraw/zinc/11/89/99/396118999.db2.gz HNJCXOHUKXNPGJ-HNNXBMFYSA-N 0 0 322.430 0.733 50 0 DCAARN Cn1cc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cn1 ZINC000071863650 396119416 /nfs/dbraw/zinc/11/94/16/396119416.db2.gz ACVIWVRMVZIIRO-INIZCTEOSA-N 0 0 314.389 0.912 50 0 DCAARN CN1N=C(C(=O)N2CCC(Nc3cccnn3)CC2)CCC1=O ZINC000071863342 396119826 /nfs/dbraw/zinc/11/98/26/396119826.db2.gz CTZFURQRTXBKDP-UHFFFAOYSA-N 0 0 316.365 0.488 50 0 DCAARN Cc1ccc(CN(C)C(=O)CN2CCn3c(C)nnc3C2)o1 ZINC000071877623 396121655 /nfs/dbraw/zinc/12/16/55/396121655.db2.gz KSMYZLIEITVKEN-UHFFFAOYSA-N 0 0 303.366 0.962 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)c2cnc(C)s2)CC1 ZINC000071881971 396122983 /nfs/dbraw/zinc/12/29/83/396122983.db2.gz UGOFFROWNZWTHT-GFCCVEGCSA-N 0 0 313.423 0.607 50 0 DCAARN C[C@@H]1CCCN(c2ccc(C(=O)N3CCNC(=O)C3)cn2)C1 ZINC000071902366 396124601 /nfs/dbraw/zinc/12/46/01/396124601.db2.gz XGJYRBLVZXQRRO-GFCCVEGCSA-N 0 0 302.378 0.890 50 0 DCAARN CCCOC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O ZINC000071921349 396125304 /nfs/dbraw/zinc/12/53/04/396125304.db2.gz NSCRCESGDOWOKW-WPRPVWTQSA-N 0 0 307.393 0.729 50 0 DCAARN CN(C)C(=O)Cc1nc(CN[C@H]2CCc3ncnn3C2)cs1 ZINC000072267457 396128045 /nfs/dbraw/zinc/12/80/45/396128045.db2.gz GXSOZQMEBAQAJB-JTQLQIEISA-N 0 0 320.422 0.470 50 0 DCAARN CN(C)c1ncccc1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000072269159 396128173 /nfs/dbraw/zinc/12/81/73/396128173.db2.gz WLWSVVMSARVGGI-LSDHHAIUSA-N 0 0 318.421 0.819 50 0 DCAARN O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000072290681 396129806 /nfs/dbraw/zinc/12/98/06/396129806.db2.gz UVEFQZMCBGUGAU-HWWQOWPSSA-N 0 0 317.320 0.740 50 0 DCAARN CN(CC(=O)N1CCC[C@H](n2cccn2)C1)c1cnccn1 ZINC000069349689 396075776 /nfs/dbraw/zinc/07/57/76/396075776.db2.gz MQSHXRMZKYPGHU-ZDUSSCGKSA-N 0 0 300.366 0.973 50 0 DCAARN O[C@@H](COCc1ccco1)CN1CCO[C@H](Cn2cccn2)C1 ZINC000069372050 396076662 /nfs/dbraw/zinc/07/66/62/396076662.db2.gz HJWSRRACEWBEPS-ZBFHGGJFSA-N 0 0 321.377 0.755 50 0 DCAARN COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2F)CCO1 ZINC000069416692 396077847 /nfs/dbraw/zinc/07/78/47/396077847.db2.gz QVEGASYMOSIHIC-LLVKDONJSA-N 0 0 317.338 0.697 50 0 DCAARN C[C@@H]1C[C@@H](N2CCN(c3ccc4nncn4n3)[C@H](C)C2)C(=O)O1 ZINC000069458609 396079614 /nfs/dbraw/zinc/07/96/14/396079614.db2.gz KTTYJZMRAQDOHB-IJLUTSLNSA-N 0 0 316.365 0.339 50 0 DCAARN Cc1cc(C[C@H](C)NC(=O)CN2C(=O)NC(C)(C)C2=O)[nH]n1 ZINC000162450747 396081465 /nfs/dbraw/zinc/08/14/65/396081465.db2.gz BGTNXDDYTMMSIS-QMMMGPOBSA-N 0 0 307.354 0.096 50 0 DCAARN Cc1nsc(N2CCCN(CC(=O)NCC3CC3)CC2)n1 ZINC000075967711 396190980 /nfs/dbraw/zinc/19/09/80/396190980.db2.gz FGQZPBNEHTXHFG-UHFFFAOYSA-N 0 0 309.439 0.885 50 0 DCAARN CCCn1nnnc1CN1CC[C@@H](N(C)Cc2noc(C)n2)C1 ZINC000076047347 396192750 /nfs/dbraw/zinc/19/27/50/396192750.db2.gz HOTMPMHFUCFJFY-GFCCVEGCSA-N 0 0 320.401 0.481 50 0 DCAARN O=C(CN1CCC[C@@H]1c1noc(C2CC2)n1)N1CCOCC1 ZINC000076047643 396192921 /nfs/dbraw/zinc/19/29/21/396192921.db2.gz DJSSQKGNQWBYPM-GFCCVEGCSA-N 0 0 306.366 0.943 50 0 DCAARN Cc1nc(CC(=O)N2CCN(S(C)(=O)=O)CC2)c(C)s1 ZINC000178355691 396194138 /nfs/dbraw/zinc/19/41/38/396194138.db2.gz ZWKHTZDVDWMCOY-UHFFFAOYSA-N 0 0 317.436 0.406 50 0 DCAARN Cn1nc2c(cc1=O)CN(Cc1cc(=O)n3ccccc3n1)CC2 ZINC000076064711 396195863 /nfs/dbraw/zinc/19/58/63/396195863.db2.gz KFEPBUWWLOJHNG-UHFFFAOYSA-N 0 0 323.356 0.347 50 0 DCAARN Nc1ccnc(CNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)n1 ZINC000178568502 396199209 /nfs/dbraw/zinc/19/92/09/396199209.db2.gz HVKNWHFWUNZWQW-SECBINFHSA-N 0 0 317.315 0.949 50 0 DCAARN Cc1cc(NC(=O)CSCC(=O)O[C@@H]2CCOC2)no1 ZINC000078612329 396249291 /nfs/dbraw/zinc/24/92/91/396249291.db2.gz XGLQQFHTYCIGFG-SECBINFHSA-N 0 0 300.336 0.987 50 0 DCAARN CCc1cnc(CN(C(C)=O)[C@H]2CCN([C@@H]3CCOC3=O)C2)o1 ZINC000078892305 396256206 /nfs/dbraw/zinc/25/62/06/396256206.db2.gz CXWGGNKRUDIKNM-GXTWGEPZSA-N 0 0 321.377 0.975 50 0 DCAARN NS(=O)(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000078884457 396256447 /nfs/dbraw/zinc/25/64/47/396256447.db2.gz YUBLBGHUYUPDLK-UHFFFAOYSA-N 0 0 311.285 0.228 50 0 DCAARN CCOC(=O)[C@@H]1CN(Cc2ccno2)CCN1Cc1ccno1 ZINC000078970246 396259525 /nfs/dbraw/zinc/25/95/25/396259525.db2.gz LVJSWLNLZBJNOH-AWEZNQCLSA-N 0 0 320.349 0.912 50 0 DCAARN CCCSCC(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000077319802 396218815 /nfs/dbraw/zinc/21/88/15/396218815.db2.gz BQTPTIVKFRJAPR-GFCCVEGCSA-N 0 0 324.450 0.866 50 0 DCAARN CCn1c(N)nc2cc(C(=O)NCC(=O)NC(C)C)cnc21 ZINC000077343338 396219229 /nfs/dbraw/zinc/21/92/29/396219229.db2.gz NXIBLFPVCXPJHN-UHFFFAOYSA-N 0 0 304.354 0.288 50 0 DCAARN CC(C)CN1CCN(C(=O)c2ccn3nnnc3c2)[C@@H](C)C1=O ZINC000077406415 396221608 /nfs/dbraw/zinc/22/16/08/396221608.db2.gz SDOWVPILHQJZLC-NSHDSACASA-N 0 0 316.365 0.453 50 0 DCAARN C[C@@H](C(=O)NCCc1nc2ccccc2[nH]1)N1CCN(C)CC1 ZINC000263662771 396221745 /nfs/dbraw/zinc/22/17/45/396221745.db2.gz IYWDCWZQSJMNGL-ZDUSSCGKSA-N 0 0 315.421 0.858 50 0 DCAARN O=C1[C@@H](n2nc3cnccn3c2=O)CCN1CC(F)(F)F ZINC000185545988 396329750 /nfs/dbraw/zinc/32/97/50/396329750.db2.gz UXXMRUUJHUANNF-ZETCQYMHSA-N 0 0 301.228 0.227 50 0 DCAARN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)COc2cccnc2)C1 ZINC000285842877 396357253 /nfs/dbraw/zinc/35/72/53/396357253.db2.gz PWZBIOIEUOYBGU-NEPJUHHUSA-N 0 0 303.322 0.567 50 0 DCAARN CN(C)S(=O)(=O)CCC(=O)N1CCc2ccc(F)cc21 ZINC000192190316 396430108 /nfs/dbraw/zinc/43/01/08/396430108.db2.gz YJDWYUJPPZMBSG-UHFFFAOYSA-N 0 0 300.355 0.996 50 0 DCAARN Cn1cc(Cl)cc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000192708509 396435992 /nfs/dbraw/zinc/43/59/92/396435992.db2.gz UJGNIYQGYUOXSK-NSHDSACASA-N 0 0 301.774 0.101 50 0 DCAARN Nc1cc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)ccn1 ZINC000193407803 396450612 /nfs/dbraw/zinc/45/06/12/396450612.db2.gz ZLDNMMDHQKLBOO-CYBMUJFWSA-N 0 0 310.423 0.664 50 0 DCAARN O=C(CN1CCC[C@@H](O)C1)NCc1[nH]nc2c1CCCCC2 ZINC000584886538 396632152 /nfs/dbraw/zinc/63/21/52/396632152.db2.gz WCJMUJNGHYTJFJ-GFCCVEGCSA-N 0 0 306.410 0.752 50 0 DCAARN O=C(CN1CCCC1=O)N1CCN(C2CCCCC2)C(=O)C1 ZINC000584885071 396632451 /nfs/dbraw/zinc/63/24/51/396632451.db2.gz YIQDTCKSIULJCE-UHFFFAOYSA-N 0 0 307.394 0.612 50 0 DCAARN COCCn1cnnc1[C@H](C)NC(=O)CCn1cc(C)cn1 ZINC000584886230 396632566 /nfs/dbraw/zinc/63/25/66/396632566.db2.gz DOYJZMPJUKCFGF-LBPRGKRZSA-N 0 0 306.370 0.697 50 0 DCAARN CN1CCN(C(=O)CCC(=O)NC2CCCC2)C[C@@H]1CCO ZINC000584888690 396633039 /nfs/dbraw/zinc/63/30/39/396633039.db2.gz VQBBMXPODAERSN-AWEZNQCLSA-N 0 0 311.426 0.350 50 0 DCAARN Cc1nc(C)c(CC(=O)N2CCN3C(=O)OC[C@@H]3C2)c(=O)[nH]1 ZINC000584895445 396634591 /nfs/dbraw/zinc/63/45/91/396634591.db2.gz KQQDBTNAOJUYDK-JTQLQIEISA-N 0 0 306.322 0.005 50 0 DCAARN CNC(=O)c1noc(CNC(=O)N2CC(c3ccncc3)C2)n1 ZINC000584894824 396634692 /nfs/dbraw/zinc/63/46/92/396634692.db2.gz FAQKOAWIFBASAN-UHFFFAOYSA-N 0 0 316.321 0.133 50 0 DCAARN Cc1nnc(CCNC(=O)N2CCN3C(=O)OC[C@H]3C2)s1 ZINC000584895968 396635014 /nfs/dbraw/zinc/63/50/14/396635014.db2.gz VITGNTYMDDKSGD-SECBINFHSA-N 0 0 311.367 0.235 50 0 DCAARN Cc1cccc(=O)n1CCCNC(=O)N1CCCNC(=O)C1 ZINC000584897184 396635649 /nfs/dbraw/zinc/63/56/49/396635649.db2.gz LEQYPFJEMJFKEM-UHFFFAOYSA-N 0 0 306.366 0.078 50 0 DCAARN CNC(=O)Cc1noc(CN[C@H]2CCc3ccccc3OC2)n1 ZINC000374673328 396680391 /nfs/dbraw/zinc/68/03/91/396680391.db2.gz XBUKTUFOPBNOOX-LBPRGKRZSA-N 0 0 316.361 0.842 50 0 DCAARN Cn1cc(N2CCN(Cc3cnn(CC(F)F)c3)CC2=O)cn1 ZINC000295266383 396688460 /nfs/dbraw/zinc/68/84/60/396688460.db2.gz HISKITILVDWAJS-UHFFFAOYSA-N 0 0 324.335 0.731 50 0 DCAARN CCNC(=O)[C@H](C)NS(=O)(=O)C[C@H](OC)c1ccccc1 ZINC000296105095 396704769 /nfs/dbraw/zinc/70/47/69/396704769.db2.gz XMQWWURSBQQJCO-AAEUAGOBSA-N 0 0 314.407 0.818 50 0 DCAARN C[C@H](CO)N1CCCN(c2ccccc2S(C)(=O)=O)CC1 ZINC000375506780 396762014 /nfs/dbraw/zinc/76/20/14/396762014.db2.gz LQROMARRZYMUDN-CYBMUJFWSA-N 0 0 312.435 0.983 50 0 DCAARN N=c1ccccn1CCOCCOCCn1ccccc1=N ZINC000334158888 396936902 /nfs/dbraw/zinc/93/69/02/396936902.db2.gz DXSVQQLCOVLJNF-UHFFFAOYSA-N 0 0 302.378 0.982 50 0 DCAARN O=C(NCC1CCN(c2ncc(F)cn2)CC1)[C@H]1CCOC1 ZINC000618255500 396942381 /nfs/dbraw/zinc/94/23/81/396942381.db2.gz RFMZBSBTRJPMME-LBPRGKRZSA-N 0 0 308.357 0.985 50 0 DCAARN O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)O[C@H]1CCOC1 ZINC000390832475 397303560 /nfs/dbraw/zinc/30/35/60/397303560.db2.gz ZPMGRYURZZAXQP-MNOVXSKESA-N 0 0 318.337 0.218 50 0 DCAARN COC(=O)c1cnc(CN2CCO[C@@]3(CCCOC3)C2)cn1 ZINC000599412228 397434023 /nfs/dbraw/zinc/43/40/23/397434023.db2.gz HZUSMECPCYNEFM-HNNXBMFYSA-N 0 0 307.350 0.645 50 0 DCAARN COc1c2c(c(S(N)(=O)=O)c3c1CN(C)CC3)OCO2 ZINC000040309116 286188304 /nfs/dbraw/zinc/18/83/04/286188304.db2.gz QVFKKXWZCMVFNI-UHFFFAOYSA-N 0 0 300.336 0.059 50 0 biogenic DCAARN Cc1noc([C@H]2CN(C(=O)[C@H](C)n3cncn3)CCN2C)n1 ZINC000328979319 159048910 /nfs/dbraw/zinc/04/89/10/159048910.db2.gz XIQZVZHZKASYNW-GXSJLCMTSA-N 0 0 305.342 0.046 50 0 DCAARN Cn1nccc1COCC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000330477805 159180222 /nfs/dbraw/zinc/18/02/22/159180222.db2.gz WVKGKAMGNDYVJV-GFCCVEGCSA-N 0 0 321.299 0.853 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](CO)CC(C)C)C1 ZINC000330580572 159196897 /nfs/dbraw/zinc/19/68/97/159196897.db2.gz RDOYVCGHYWMKLU-STQMWFEESA-N 0 0 320.455 0.571 50 0 DCAARN C[C@H](Cn1cncn1)NC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000332811319 159214401 /nfs/dbraw/zinc/21/44/01/159214401.db2.gz LUFQARYKAYLRSV-RDBSUJKOSA-N 0 0 322.413 0.171 50 0 DCAARN CC[C@@H]1CN(C(=O)NCCCN(C)S(C)(=O)=O)CCO1 ZINC000065563940 287140316 /nfs/dbraw/zinc/14/03/16/287140316.db2.gz NKHVGCJVBGOTKF-LLVKDONJSA-N 0 0 307.416 0.088 50 0 DCAARN COCCNC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000036579847 292557688 /nfs/dbraw/zinc/55/76/88/292557688.db2.gz MKSDTKWEEMIEGJ-NEPJUHHUSA-N 0 0 307.419 0.788 50 0 DCAARN Cn1cccc1[C@@H]1COCCN1Cc1cc(=O)n2nccc2[nH]1 ZINC000131718785 196193585 /nfs/dbraw/zinc/19/35/85/196193585.db2.gz UZYUJJZUIQQCBC-AWEZNQCLSA-N 0 0 313.361 0.935 50 0 DCAARN CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](n3ccc(=O)[nH]c3=S)[C@@H]2O1 ZINC000014766424 415151359 /nfs/dbraw/zinc/15/13/59/415151359.db2.gz YZPAYNHRIOAAHF-PEBGCTIMSA-N 0 0 300.336 0.316 50 0 DCAARN CNS(=O)(=O)N1CCC(c2nc(-c3ncc[nH]3)no2)CC1 ZINC000331616702 415153692 /nfs/dbraw/zinc/15/36/92/415153692.db2.gz SMJWJPANXYMWDS-UHFFFAOYSA-N 0 0 312.355 0.103 50 0 DCAARN COc1ccc(CCN2C(=O)C[C@@H](N3CCOCC3)C2=O)cc1 ZINC000025562349 415162421 /nfs/dbraw/zinc/16/24/21/415162421.db2.gz QRTKTQKGVNZUCE-OAHLLOKOSA-N 0 0 318.373 0.697 50 0 DCAARN COCCNC(=O)CN(C)S(=O)(=O)Cc1ccc(F)cc1 ZINC000025370982 415162866 /nfs/dbraw/zinc/16/28/66/415162866.db2.gz WNEYDXJDEHFOBB-UHFFFAOYSA-N 0 0 318.370 0.350 50 0 DCAARN Cn1nnnc1SCC(=O)N1CC(=O)Nc2ccccc21 ZINC000002630578 415125643 /nfs/dbraw/zinc/12/56/43/415125643.db2.gz XRFCHEZOLNQCSI-UHFFFAOYSA-N 0 0 304.335 0.288 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccccc3Cl)C(=O)[C@]2(C)NN1 ZINC000004104478 415130588 /nfs/dbraw/zinc/13/05/88/415130588.db2.gz RANOWIOEBUKFBJ-LKFCYVNXSA-N 0 0 321.720 0.720 50 0 DCAARN O=C1[C@@H]2[C@@H]3COCCN3O[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000005513594 415132607 /nfs/dbraw/zinc/13/26/07/415132607.db2.gz XYHVDHOGTZELOX-TUAOUCFPSA-N 0 0 308.721 0.844 50 0 DCAARN CCn1cc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cn1 ZINC000006698286 415133026 /nfs/dbraw/zinc/13/30/26/415133026.db2.gz LMBVMMWINKNHQS-UHFFFAOYSA-N 0 0 322.394 0.204 50 0 DCAARN Cn1c2ncn(CCOc3ccccc3F)c2c(=O)n(C)c1=O ZINC000006972400 415138435 /nfs/dbraw/zinc/13/84/35/415138435.db2.gz PYLGSYCCUPAJSM-UHFFFAOYSA-N 0 0 318.308 0.652 50 0 DCAARN CC(C)C[C@H](CNc1ccc2nnnn2n1)N1CCOCC1 ZINC000026146262 415164219 /nfs/dbraw/zinc/16/42/19/415164219.db2.gz NZWKJJSOMPORQB-GFCCVEGCSA-N 0 0 305.386 0.678 50 0 DCAARN C[C@H]1C[C@H]1C(=O)OCC(=O)N1CCN(c2ncccn2)CC1 ZINC000008099970 415144703 /nfs/dbraw/zinc/14/47/03/415144703.db2.gz WPALNQXJVWKFGV-NWDGAFQWSA-N 0 0 304.350 0.324 50 0 DCAARN Cc1cnc(NC(=O)Cn2cnc3c(cnn3C)c2=O)s1 ZINC000008747697 415145020 /nfs/dbraw/zinc/14/50/20/415145020.db2.gz BJNHTUORRZHKRE-UHFFFAOYSA-N 0 0 304.335 0.534 50 0 DCAARN Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccn2C)N(C)C)no1 ZINC000011898889 415149291 /nfs/dbraw/zinc/14/92/91/415149291.db2.gz IWPXQJKIAYLNAW-LBPRGKRZSA-N 0 0 319.365 0.679 50 0 DCAARN O=S(=O)(N1CCCC1)N1CCN(Cc2cccnc2)CC1 ZINC000026129765 415165317 /nfs/dbraw/zinc/16/53/17/415165317.db2.gz ZBBLCDUILGOZIF-UHFFFAOYSA-N 0 0 310.423 0.540 50 0 DCAARN CCCCNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000026939398 415166804 /nfs/dbraw/zinc/16/68/04/415166804.db2.gz VZOGWLJTFWCIRB-UHFFFAOYSA-N 0 0 315.373 0.975 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCCn2cccn2)cc1C(N)=O ZINC000026824595 415169692 /nfs/dbraw/zinc/16/96/92/415169692.db2.gz JZDUURWQXRDDFX-UHFFFAOYSA-N 0 0 322.390 0.659 50 0 DCAARN COC(=O)[C@@H](C)NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000032123902 415187012 /nfs/dbraw/zinc/18/70/12/415187012.db2.gz KWWCBFUMEADSTI-KCJUWKMLSA-N 0 0 319.317 0.454 50 0 biogenic DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)[C@@H]1COc2ccccc2O1 ZINC000044457208 415219676 /nfs/dbraw/zinc/21/96/76/415219676.db2.gz IWWUCYVKPMFYQM-MFKMUULPSA-N 0 0 311.359 0.377 50 0 DCAARN CCOCc1ccccc1CNS(=O)(=O)N1CCOCC1 ZINC000044911081 415232719 /nfs/dbraw/zinc/23/27/19/415232719.db2.gz IYFVKLRAKDEPHD-UHFFFAOYSA-N 0 0 314.407 0.890 50 0 DCAARN CCN(C[C@H]1CCOC1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000048286915 415285428 /nfs/dbraw/zinc/28/54/28/415285428.db2.gz LGJDWFUWUINSOV-NWDGAFQWSA-N 0 0 304.412 0.489 50 0 DCAARN COCCNC(=O)[C@@H](C)S(=O)(=O)c1cccc(OC)c1 ZINC000044947667 415235490 /nfs/dbraw/zinc/23/54/90/415235490.db2.gz YOSSQGCZVCWJIL-SNVBAGLBSA-N 0 0 301.364 0.620 50 0 DCAARN Cn1nc(C(C)(C)C)cc1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000044918485 415236474 /nfs/dbraw/zinc/23/64/74/415236474.db2.gz XBNCWECXCAXEGS-UHFFFAOYSA-N 0 0 319.365 0.217 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)COC)c1 ZINC000044973267 415237735 /nfs/dbraw/zinc/23/77/35/415237735.db2.gz AZSCIVFVOWQPDN-SNVBAGLBSA-N 0 0 300.380 0.702 50 0 DCAARN C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)N1CCc2ccccc21 ZINC000044952187 415238679 /nfs/dbraw/zinc/23/86/79/415238679.db2.gz SBHIWGXQICCJPH-RYUDHWBXSA-N 0 0 310.419 0.987 50 0 DCAARN CNC(=O)[C@H]1Cc2ccccc2CN1C[C@H](O)Cn1cccn1 ZINC000044975410 415239864 /nfs/dbraw/zinc/23/98/64/415239864.db2.gz STSUXZNYKFNJBX-JKSUJKDBSA-N 0 0 314.389 0.417 50 0 DCAARN CCN1CCN(CCC(=O)Nc2ccccc2OC)C(=O)C1=O ZINC000046158721 415256840 /nfs/dbraw/zinc/25/68/40/415256840.db2.gz NACPERDGIRUHKU-UHFFFAOYSA-N 0 0 319.361 0.715 50 0 DCAARN Cc1c(C(=O)NCCCN(C(C)C)S(C)(=O)=O)cnn1C ZINC000047044349 415266057 /nfs/dbraw/zinc/26/60/57/415266057.db2.gz JBGHMVCTUNTDEJ-UHFFFAOYSA-N 0 0 316.427 0.518 50 0 DCAARN NC(=O)c1cnc(N2CCN(c3ncccn3)CC2)c(Cl)c1 ZINC000047087799 415268132 /nfs/dbraw/zinc/26/81/32/415268132.db2.gz BOEWQMYCSYVILK-UHFFFAOYSA-N 0 0 318.768 0.951 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000044722547 415226282 /nfs/dbraw/zinc/22/62/82/415226282.db2.gz NWNQVRUVZHVXSV-LBPRGKRZSA-N 0 0 313.423 0.520 50 0 DCAARN O=C(Cn1nnc(COc2ccccc2)n1)NC[C@@H]1CCCO1 ZINC000044873247 415227751 /nfs/dbraw/zinc/22/77/51/415227751.db2.gz JOXIPBXZDJXXPZ-ZDUSSCGKSA-N 0 0 317.349 0.547 50 0 DCAARN CN(C(=O)c1ccc(-n2cncn2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000044889004 415228645 /nfs/dbraw/zinc/22/86/45/415228645.db2.gz JSKZPCLMOFJWKG-CYBMUJFWSA-N 0 0 320.374 0.526 50 0 DCAARN C[C@H](NC(=O)Cn1nnn(-c2cccs2)c1=O)c1ccco1 ZINC000044892892 415229002 /nfs/dbraw/zinc/22/90/02/415229002.db2.gz FRHLJGJTNLDAJM-VIFPVBQESA-N 0 0 319.346 0.961 50 0 DCAARN CN(C(=O)[C@H]1Cc2ccccc2C(=O)O1)[C@H]1CCS(=O)(=O)C1 ZINC000044891691 415229352 /nfs/dbraw/zinc/22/93/52/415229352.db2.gz JOWCZJYKRAEFGS-WCQYABFASA-N 0 0 323.370 0.414 50 0 DCAARN O=C(CCc1ccccc1)N1CCC2(CC1)NC(=O)NC2=O ZINC000044892258 415229803 /nfs/dbraw/zinc/22/98/03/415229803.db2.gz IPHFYKBPMFMQHQ-UHFFFAOYSA-N 0 0 301.346 0.820 50 0 DCAARN COc1ccccc1CCNC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000044892457 415229832 /nfs/dbraw/zinc/22/98/32/415229832.db2.gz SYOAFPVBYUSXSO-GFCCVEGCSA-N 0 0 312.391 0.724 50 0 DCAARN NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000044891545 415229839 /nfs/dbraw/zinc/22/98/39/415229839.db2.gz ZYKMDKCQBUANJW-QMMMGPOBSA-N 0 0 304.318 0.851 50 0 DCAARN Cc1csc(=O)n1CC(=O)NCc1nnc2n1CCCCC2 ZINC000044896791 415230117 /nfs/dbraw/zinc/23/01/17/415230117.db2.gz BJYCBXMPTXAERN-UHFFFAOYSA-N 0 0 321.406 0.853 50 0 DCAARN Cc1nnc(-c2ccc(NC(=O)C(=O)NCCCO)cc2)o1 ZINC000044900700 415230609 /nfs/dbraw/zinc/23/06/09/415230609.db2.gz MRFRDTULGUKSLB-UHFFFAOYSA-N 0 0 304.306 0.482 50 0 DCAARN O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1ccncc1 ZINC000044911471 415230682 /nfs/dbraw/zinc/23/06/82/415230682.db2.gz MFGWDIFEUZZWRK-LSDHHAIUSA-N 0 0 305.378 0.549 50 0 DCAARN COCCCNC(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O ZINC000048312629 415289633 /nfs/dbraw/zinc/28/96/33/415289633.db2.gz ONCIPCJOXROHJI-UHFFFAOYSA-N 0 0 316.361 0.836 50 0 DCAARN CC(C)S(=O)(=O)NCCNC(=O)COc1ccccc1 ZINC000048311721 415292388 /nfs/dbraw/zinc/29/23/88/415292388.db2.gz LINJXDNYTNFXMU-UHFFFAOYSA-N 0 0 300.380 0.509 50 0 DCAARN CN(Cc1cccc2ncccc12)C(=O)Cc1c[nH]c(=O)[nH]c1=O ZINC000072454793 415415444 /nfs/dbraw/zinc/41/54/44/415415444.db2.gz PECDVPXCJHREEI-UHFFFAOYSA-N 0 0 324.340 0.813 50 0 DCAARN O=C(NCc1cccc(N2CCOCC2)n1)N1CCC[C@H](O)C1 ZINC000274938635 415365579 /nfs/dbraw/zinc/36/55/79/415365579.db2.gz MHLOVWQXXZJSSD-AWEZNQCLSA-N 0 0 320.393 0.585 50 0 DCAARN CC(C)CNC(=O)c1cccc(CN2CCO[C@@H](C(N)=O)C2)c1 ZINC000066830922 415365995 /nfs/dbraw/zinc/36/59/95/415365995.db2.gz SXYCHKGZTMABFL-OAHLLOKOSA-N 0 0 319.405 0.759 50 0 DCAARN COCC(=O)NCCNc1ccc(-n2nc(C)cc2C)nn1 ZINC000067603882 415379593 /nfs/dbraw/zinc/37/95/93/415379593.db2.gz APTWQKCCUPYYCF-UHFFFAOYSA-N 0 0 304.354 0.454 50 0 DCAARN COc1cccc2c1NC(=O)C[C@@H]2C(=O)NCC(=O)NC(C)C ZINC000067674684 415381160 /nfs/dbraw/zinc/38/11/60/415381160.db2.gz VEZSNIACFDJBSZ-NSHDSACASA-N 0 0 319.361 0.762 50 0 DCAARN CC(=O)Nc1ccccc1NC(=O)CN1CCC[C@H]1C(N)=O ZINC000067788122 415387356 /nfs/dbraw/zinc/38/73/56/415387356.db2.gz BDIVOEJIIDSQFR-ZDUSSCGKSA-N 0 0 304.350 0.533 50 0 DCAARN O=C(CN1CCO[C@@H](Cn2cncn2)C1)NC(C1CC1)C1CC1 ZINC000084618649 415496467 /nfs/dbraw/zinc/49/64/67/415496467.db2.gz RBPZNGGUNMNFMM-CQSZACIVSA-N 0 0 319.409 0.284 50 0 DCAARN C[C@@H](CO)NC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000084638267 415497011 /nfs/dbraw/zinc/49/70/11/415497011.db2.gz YEEPZEQTQANXPP-GJZGRUSLSA-N 0 0 320.437 0.877 50 0 DCAARN CN(C)S(=O)(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000075057844 415433762 /nfs/dbraw/zinc/43/37/62/415433762.db2.gz ZXEGVWHJZUQZHW-UHFFFAOYSA-N 0 0 311.407 0.687 50 0 DCAARN NS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCSC2)c1 ZINC000075584442 415447265 /nfs/dbraw/zinc/44/72/65/415447265.db2.gz PVYFCPONILHSQO-ZETCQYMHSA-N 0 0 304.368 0.708 50 0 DCAARN COc1ccc([C@@H]2C[C@H]2C(=O)N2CCN(CCO)CC2)cc1 ZINC000075604809 415453349 /nfs/dbraw/zinc/45/33/49/415453349.db2.gz OOAJMLUNEUCJPO-JKSUJKDBSA-N 0 0 304.390 0.935 50 0 DCAARN CC(C)[C@@H]1CN(Cc2c[nH]cn2)C[C@H]1NS(=O)(=O)N(C)C ZINC000095372072 415552687 /nfs/dbraw/zinc/55/26/87/415552687.db2.gz RWHALEWJGOSDBU-QWHCGFSZSA-N 0 0 315.443 0.262 50 0 DCAARN O=C([C@H](c1cccnc1)N1CCOCC1)N1CCCOCC1 ZINC000095380649 415558348 /nfs/dbraw/zinc/55/83/48/415558348.db2.gz INZWKVIJDOXPAN-HNNXBMFYSA-N 0 0 305.378 0.704 50 0 DCAARN CN1CCCN(C(=O)[C@@H](Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000095442123 415558801 /nfs/dbraw/zinc/55/88/01/415558801.db2.gz DHSRKRDKCJZWPA-OAHLLOKOSA-N 0 0 324.446 0.806 50 0 DCAARN Cc1cccn2cc(CC(=O)NCCCS(C)(=O)=O)nc12 ZINC000095939003 415565797 /nfs/dbraw/zinc/56/57/97/415565797.db2.gz CNWSWYUMGCRIKS-UHFFFAOYSA-N 0 0 309.391 0.736 50 0 DCAARN CCc1ncnc(N2CCC[C@@H]2C(=O)N2CCN(C)CC2)c1F ZINC000095981526 415567440 /nfs/dbraw/zinc/56/74/40/415567440.db2.gz NBBDZLDURNJAHW-CYBMUJFWSA-N 0 0 321.400 0.921 50 0 DCAARN CC(C)Cn1cnc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2O)c1 ZINC000095975517 415567963 /nfs/dbraw/zinc/56/79/63/415567963.db2.gz CZNYOEYZLMFFEF-RYUDHWBXSA-N 0 0 301.412 0.978 50 0 DCAARN CCOC(=O)C(=O)N1CCN(C(=O)/C=C\c2ccsc2)CC1 ZINC000096035738 415571157 /nfs/dbraw/zinc/57/11/57/415571157.db2.gz UZKOJVODPQUBKN-ARJAWSKDSA-N 0 0 322.386 0.995 50 0 DCAARN Cn1cnc(S(=O)(=O)NC[C@](O)(c2ccccc2)C2CC2)c1 ZINC000096025982 415573439 /nfs/dbraw/zinc/57/34/39/415573439.db2.gz SUMUZEWLYLYKLG-HNNXBMFYSA-N 0 0 321.402 0.996 50 0 DCAARN Cc1ncoc1C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000333322417 415609396 /nfs/dbraw/zinc/60/93/96/415609396.db2.gz PQMLSNVPNLNYLH-LLVKDONJSA-N 0 0 313.379 0.623 50 0 DCAARN CCN(C(=O)COCCOc1ccccc1)[C@@H]1CC(=O)NC1=O ZINC000103399415 415618657 /nfs/dbraw/zinc/61/86/57/415618657.db2.gz SAZKYEKMORTBKZ-CYBMUJFWSA-N 0 0 320.345 0.346 50 0 DCAARN COC(=O)CN1CCC(NC2(c3noc(C)n3)CCC2)CC1 ZINC000097085104 415580233 /nfs/dbraw/zinc/58/02/33/415580233.db2.gz IIQPOAZETFTUDN-UHFFFAOYSA-N 0 0 308.382 0.984 50 0 DCAARN C/C=C\Cn1c(-n2nc(C)cc2C)nc2c1c(=O)[nH]c(=O)n2C ZINC000098041166 415589182 /nfs/dbraw/zinc/58/91/82/415589182.db2.gz SYCZNWQQHREXLZ-WAYWQWQTSA-N 0 0 314.349 0.802 50 0 DCAARN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC000106870886 415653318 /nfs/dbraw/zinc/65/33/18/415653318.db2.gz XKPOWSITRBQZQU-MCIONIFRSA-N 0 0 309.410 0.034 50 0 DCAARN O=C1CC[C@H](CNS(=O)(=O)N2CCC[C@@H]2c2ccco2)N1 ZINC000107140038 415660310 /nfs/dbraw/zinc/66/03/10/415660310.db2.gz HSJPSXLRBADZRG-GHMZBOCLSA-N 0 0 313.379 0.530 50 0 DCAARN CC(=O)N[C@@H]1CCCN(C(=O)C[S@](=O)[C@H](C)C(C)C)C1 ZINC000107523545 415666898 /nfs/dbraw/zinc/66/68/98/415666898.db2.gz RSJLQBQELXUNNA-JNHSQIPHSA-N 0 0 302.440 0.907 50 0 DCAARN C[C@H]1CCCCN1CCNC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000107575161 415669037 /nfs/dbraw/zinc/66/90/37/415669037.db2.gz RUVZQKZRUFNIIH-QWHCGFSZSA-N 0 0 317.455 0.595 50 0 DCAARN O=S1(=O)C[C@@H](O)[C@H](N(Cc2ccco2)Cc2ccccn2)C1 ZINC000108373906 415678965 /nfs/dbraw/zinc/67/89/65/415678965.db2.gz NOADNOYAQSYCAU-HUUCEWRRSA-N 0 0 322.386 0.835 50 0 DCAARN COCCn1ccc(N[C@@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC000114754206 415719934 /nfs/dbraw/zinc/71/99/34/415719934.db2.gz NCHCVSUVSFYIPO-GFCCVEGCSA-N 0 0 304.354 0.480 50 0 DCAARN Cc1cc(Br)cc(C(=O)NCCOCC(N)=O)c1 ZINC000134895385 415958226 /nfs/dbraw/zinc/95/82/26/415958226.db2.gz WAVTZDNHLMGRPM-UHFFFAOYSA-N 0 0 315.167 0.989 50 0 DCAARN C[N@@H+]1C[C@H](NC(=O)Cc2noc3ccccc32)C[C@H]1C(=O)[O-] ZINC000299756414 416063762 /nfs/dbraw/zinc/06/37/62/416063762.db2.gz DSDHTZBKDGIWHR-SKDRFNHKSA-N 0 0 303.318 0.644 50 0 DCAARN O=C(CN1Cc2ccccc2C1)N1CCN(c2nc[nH]n2)CC1 ZINC000299758699 416063853 /nfs/dbraw/zinc/06/38/53/416063853.db2.gz LBPKQKYILKMDPA-UHFFFAOYSA-N 0 0 312.377 0.469 50 0 DCAARN COCCn1ccnc1CN1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299760506 416063957 /nfs/dbraw/zinc/06/39/57/416063957.db2.gz UXMHVGTZMSNVAA-UONOGXRCSA-N 0 0 318.381 0.467 50 0 DCAARN C[N@@H+](Cc1n[nH]c(=O)[n-]1)C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000299760351 416065005 /nfs/dbraw/zinc/06/50/05/416065005.db2.gz QLJVSZRSFNKNMM-LLVKDONJSA-N 0 0 301.350 0.583 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCN(C(=O)CSc2ccncc2)C1 ZINC000299766715 416065640 /nfs/dbraw/zinc/06/56/40/416065640.db2.gz GVKJGBAMFLJXCA-SNVBAGLBSA-N 0 0 315.420 0.311 50 0 DCAARN Cc1ncsc1CCC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC000299772309 416066301 /nfs/dbraw/zinc/06/63/01/416066301.db2.gz XVXYMWNIGOKWGQ-SNVBAGLBSA-N 0 0 317.436 0.521 50 0 DCAARN Cc1nccn1CCC(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299784000 416067156 /nfs/dbraw/zinc/06/71/56/416067156.db2.gz RQTNHLAHMGWXQQ-KBPBESRZSA-N 0 0 316.365 0.546 50 0 DCAARN COc1ccc(NC(=O)NCCN2CCOCC2)cc1C(N)=O ZINC000299795634 416069538 /nfs/dbraw/zinc/06/95/38/416069538.db2.gz LSHBCLJHOXYLRE-UHFFFAOYSA-N 0 0 322.365 0.248 50 0 DCAARN O=C(CCn1cnnn1)NC[C@@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000299785662 416069773 /nfs/dbraw/zinc/06/97/73/416069773.db2.gz LCQZFOGBKRWRLJ-MHCOZEDOSA-N 0 0 319.409 0.757 50 0 DCAARN CCC[C@@H](NC(N)=O)C(=O)NC1CCN(c2nccn2C)CC1 ZINC000331188919 416282380 /nfs/dbraw/zinc/28/23/80/416282380.db2.gz KNUHXJJYTLAYQM-GFCCVEGCSA-N 0 0 322.413 0.756 50 0 DCAARN CNC(=O)[C@H](CO)NC(=O)C(C)(C)c1ccc(Cl)cc1F ZINC000191027772 416283544 /nfs/dbraw/zinc/28/35/44/416283544.db2.gz OHIQVRQALDCOJZ-NSHDSACASA-N 0 0 316.760 0.980 50 0 DCAARN C[C@@H]1CN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C[C@H](C)O1 ZINC000252452390 416334561 /nfs/dbraw/zinc/33/45/61/416334561.db2.gz GKUPSWCTPRNJAP-YVECIDJPSA-N 0 0 306.362 0.573 50 0 DCAARN C[C@@H]1CN(C(=O)[C@H]2CS[C@]3(C)CSCC(=O)N23)CCO1 ZINC000252474561 416334575 /nfs/dbraw/zinc/33/45/75/416334575.db2.gz HNXNBDBLAQGOBB-GIPNMCIBSA-N 0 0 316.448 0.641 50 0 DCAARN CN1C[C@@H](C(=O)Nc2nnc(-c3cccnc3)s2)CC1=O ZINC000252507326 416334663 /nfs/dbraw/zinc/33/46/63/416334663.db2.gz WHEZRTUEYYFVDC-VIFPVBQESA-N 0 0 303.347 1.017 50 0 DCAARN CO[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000257346563 416335271 /nfs/dbraw/zinc/33/52/71/416335271.db2.gz RTVWBDNQHISFHI-FVYJHBBRSA-N 0 0 304.295 0.173 50 0 DCAARN CC1(C)Cc2cc(CNC(=O)C[C@@H]3NC(=O)NC3=O)ccc2O1 ZINC000216070318 416327518 /nfs/dbraw/zinc/32/75/18/416327518.db2.gz HZSVJVNVONKDSH-NSHDSACASA-N 0 0 317.345 0.614 50 0 DCAARN O=C(c1nc2ncccn2n1)N1CCC[C@H](Cn2ccnc2)C1 ZINC000216320614 416327591 /nfs/dbraw/zinc/32/75/91/416327591.db2.gz RIKKTGOVXWJWEZ-GFCCVEGCSA-N 0 0 311.349 0.873 50 0 DCAARN [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000238075564 416329715 /nfs/dbraw/zinc/32/97/15/416329715.db2.gz MRTDGBDRDRTVMV-XHSDSOJGSA-N 0 0 304.390 0.963 50 0 DCAARN C[C@@H](C(=O)Nc1nncs1)N1CCN(c2cnccn2)CC1 ZINC000240163528 416330115 /nfs/dbraw/zinc/33/01/15/416330115.db2.gz JBOWBXQSTYNMEG-JTQLQIEISA-N 0 0 319.394 0.477 50 0 DCAARN COc1ccc(C(=O)N[C@@H]2CCN(C(C)=O)C[C@H]2O)c(OC)c1 ZINC000244633191 416330328 /nfs/dbraw/zinc/33/03/28/416330328.db2.gz FYRYTOQIZYFZRI-ZIAGYGMSSA-N 0 0 322.361 0.415 50 0 DCAARN O=C(CN1CCC(Oc2ncccn2)CC1)NC[C@H]1CCCO1 ZINC000244735110 416330863 /nfs/dbraw/zinc/33/08/63/416330863.db2.gz NTCLYXIWZXZZLQ-CQSZACIVSA-N 0 0 320.393 0.615 50 0 DCAARN CCn1nc(CNC(=O)CCNS(C)(=O)=O)c2ccccc21 ZINC000244794603 416331153 /nfs/dbraw/zinc/33/11/53/416331153.db2.gz QPWNNNPGMRZSKN-UHFFFAOYSA-N 0 0 324.406 0.612 50 0 DCAARN CC(C)(C)CN1CCC[C@@H](N2C[C@@H](O)[C@H](n3ccnn3)C2)C1=O ZINC000585116506 416518080 /nfs/dbraw/zinc/51/80/80/416518080.db2.gz ZAKIQWPVPWLLJJ-MGPQQGTHSA-N 0 0 321.425 0.533 50 0 DCAARN COCCOCCS(=O)(=O)N1c2ccccc2C[C@@H]1CO ZINC000585119186 416518584 /nfs/dbraw/zinc/51/85/84/416518584.db2.gz VWOGHTCTQLPTKO-CYBMUJFWSA-N 0 0 315.391 0.403 50 0 DCAARN CNc1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1F ZINC000585132021 416520352 /nfs/dbraw/zinc/52/03/52/416520352.db2.gz MWOCAWDEIOUWPC-GFCCVEGCSA-N 0 0 311.357 0.290 50 0 DCAARN Nc1n[nH]c(C2CCN(C(=O)COC[C@H]3CCCO3)CC2)n1 ZINC000426431128 416765253 /nfs/dbraw/zinc/76/52/53/416765253.db2.gz NYPZIUXHCQSJRM-LLVKDONJSA-N 0 0 309.370 0.289 50 0 DCAARN CC(=O)N1CCCN(c2cc([C@@H]3CCOC3)nc(N)n2)CC1 ZINC000426477373 416770031 /nfs/dbraw/zinc/77/00/31/416770031.db2.gz KYCOUCQRMNIJAO-GFCCVEGCSA-N 0 0 305.382 0.621 50 0 DCAARN C[C@@H](CO)N1CCCN(c2ccccc2S(C)(=O)=O)CC1 ZINC000375506782 417005790 /nfs/dbraw/zinc/00/57/90/417005790.db2.gz LQROMARRZYMUDN-ZDUSSCGKSA-N 0 0 312.435 0.983 50 0 DCAARN Cc1cc(CS(=O)(=O)N[C@H]2Cc3ccccc3NC2=O)no1 ZINC000528540045 417356194 /nfs/dbraw/zinc/35/61/94/417356194.db2.gz BUJZCHSNZYNITL-ZDUSSCGKSA-N 0 0 321.358 0.966 50 0 DCAARN CCCNS(=O)(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000644200768 417494055 /nfs/dbraw/zinc/49/40/55/417494055.db2.gz ORPWWMZSNADMPG-UHFFFAOYSA-N 0 0 313.427 0.654 50 0 DCAARN Cc1ncsc1C(=O)NCCOCCN1C(=O)CCC1=O ZINC000575605965 417538952 /nfs/dbraw/zinc/53/89/52/417538952.db2.gz FGMUXUNUGGUKEB-UHFFFAOYSA-N 0 0 311.363 0.347 50 0 DCAARN O=C(CN1CCOC1=O)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000575605488 417539755 /nfs/dbraw/zinc/53/97/55/417539755.db2.gz QGGJVNZWDJUGJZ-NSHDSACASA-N 0 0 324.312 0.438 50 0 DCAARN COc1ncccc1C(=O)NCc1cn(-c2cccnc2)nn1 ZINC000575619569 417541215 /nfs/dbraw/zinc/54/12/15/417541215.db2.gz WGDSCFXLYOBDDP-UHFFFAOYSA-N 0 0 310.317 0.996 50 0 DCAARN CCS(=O)(=O)N1CC[C@H](c2ncc(C)n2CCOC)C1 ZINC000575316396 417527026 /nfs/dbraw/zinc/52/70/26/417527026.db2.gz IFFWPRAZNFXCEP-LBPRGKRZSA-N 0 0 301.412 0.977 50 0 DCAARN COCCOCc1nc(C2CCN(C(=O)COC)CC2)no1 ZINC000575315456 417528129 /nfs/dbraw/zinc/52/81/29/417528129.db2.gz JRSLQVGIXQOBNU-UHFFFAOYSA-N 0 0 313.354 0.585 50 0 DCAARN Cc1cc(CN2CCN(C[C@@H]3CCc4ncnn43)CC2)on1 ZINC000639431971 417671091 /nfs/dbraw/zinc/67/10/91/417671091.db2.gz FVXNORIHDDJRBW-ZDUSSCGKSA-N 0 0 302.382 0.880 50 0 DCAARN Cc1nc(C(=O)NCC(C)(CO)CO)nn1-c1ccc(F)cc1 ZINC000646467362 417852945 /nfs/dbraw/zinc/85/29/45/417852945.db2.gz YVHYIRUKCVSLGT-UHFFFAOYSA-N 0 0 322.340 0.436 50 0 DCAARN CN1CC[C@H](C(=O)NC2CCC(C(F)F)CC2)S1(=O)=O ZINC000648417242 418135000 /nfs/dbraw/zinc/13/50/00/418135000.db2.gz RXCOEQMPIXQSII-UDNWOFFPSA-N 0 0 310.366 0.960 50 0 DCAARN Cc1cccc2nc(C(=O)N3CCC[C@@](O)(CO)CC3)cn21 ZINC000072125440 292620703 /nfs/dbraw/zinc/62/07/03/292620703.db2.gz SRXUGYMUSBIVMX-INIZCTEOSA-N 0 0 303.362 0.992 50 0 DCAARN Cn1cc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)ccc1=O ZINC000361022042 271171829 /nfs/dbraw/zinc/17/18/29/271171829.db2.gz DEAGWGWKEQUYJJ-UHFFFAOYSA-N 0 0 301.228 0.452 50 0 DCAARN CCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000012517984 276708671 /nfs/dbraw/zinc/70/86/71/276708671.db2.gz UGOUEAUAIBGZQJ-UHFFFAOYSA-N 0 0 316.365 0.565 50 0 DCAARN CN1CCN(C(=O)N2CCC[C@@H](Oc3cnccn3)C2)CC1 ZINC000225476754 277091211 /nfs/dbraw/zinc/09/12/11/277091211.db2.gz DRHLUAKSZBOBDG-CYBMUJFWSA-N 0 0 305.382 0.687 50 0 DCAARN CC(=O)N[C@@H](C(=O)NC[C@@H](C(C)C)N1CCOCC1)C(C)C ZINC000042028302 278126394 /nfs/dbraw/zinc/12/63/94/278126394.db2.gz ZJZQWNIRUUNHTH-LSDHHAIUSA-N 0 0 313.442 0.620 50 0 DCAARN C[C@@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccccc3)CCN2C1=O ZINC000014531909 279029467 /nfs/dbraw/zinc/02/94/67/279029467.db2.gz HVYQUUCUCYZTQO-CMPLNLGQSA-N 0 0 303.318 0.217 50 0 DCAARN CC(C)[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1NC(=O)N(C)C ZINC000091747036 280007566 /nfs/dbraw/zinc/00/75/66/280007566.db2.gz RVCSDSIOIOLVEV-QWHCGFSZSA-N 0 0 320.393 0.743 50 0 DCAARN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C[C@@H](O)CN1CCOCC1)C2=O ZINC000024983464 281540355 /nfs/dbraw/zinc/54/03/55/281540355.db2.gz ZUVQPSTUHKYASO-GDZNZVCISA-N 0 0 324.421 0.491 50 0 DCAARN COCC(=O)NC[C@@H](NC(=O)COC)[C@H](C)c1ccccc1 ZINC000564472929 288746854 /nfs/dbraw/zinc/74/68/54/288746854.db2.gz QLMCMWGYMFOIPC-TZMCWYRMSA-N 0 0 308.378 0.684 50 0 DCAARN C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1[nH]cnc1C(=O)[O-] ZINC000097604321 289143562 /nfs/dbraw/zinc/14/35/62/289143562.db2.gz CTWMZDVMPHBMHA-SNVBAGLBSA-N 0 0 310.354 0.291 50 0 DCAARN Cc1nc(-n2cccn2)cc(N2CC[C@]3(CC(=O)NC3=O)C2)n1 ZINC000082147018 293147815 /nfs/dbraw/zinc/14/78/15/293147815.db2.gz DUDYRWRIYMAYDF-HNNXBMFYSA-N 0 0 312.333 0.214 50 0 DCAARN Cc1occc1C(=O)NCC(=O)N[C@H]1CCCC[C@@H]1C(N)=O ZINC000096012441 294050483 /nfs/dbraw/zinc/05/04/83/294050483.db2.gz IDQWNVYVVMSVST-RYUDHWBXSA-N 0 0 307.350 0.478 50 0 DCAARN Cc1cc(=O)n(CC(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)cn1 ZINC000244933134 301067436 /nfs/dbraw/zinc/06/74/36/301067436.db2.gz CCWQNFPFSYIRHE-FRRDWIJNSA-N 0 0 307.350 0.004 50 0 DCAARN Cc1ccccc1[C@@H]1NC(=O)NC2=C1C(=O)N(C[C@H](C)O)C2 ZINC000012346023 302168990 /nfs/dbraw/zinc/16/89/90/302168990.db2.gz YKGXZKRVJOOGKN-HZMBPMFUSA-N 0 0 301.346 0.826 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)NCc2ccccc2-n2cccn2)C1 ZINC000071837329 303301802 /nfs/dbraw/zinc/30/18/02/303301802.db2.gz RNNBCFKPSOAFDL-CYBMUJFWSA-N 0 0 313.361 0.889 50 0 DCAARN Cc1ncsc1C(=O)N[C@H]1COC[C@@H]1N1CCN(C)CC1 ZINC000534580393 334288863 /nfs/dbraw/zinc/28/88/63/334288863.db2.gz FIFJZAOUKODJKF-RYUDHWBXSA-N 0 0 310.423 0.196 50 0 DCAARN O=C(NCc1cc(C2CC2)on1)c1cnc2nc[nH]n2c1=O ZINC000534587340 334292384 /nfs/dbraw/zinc/29/23/84/334292384.db2.gz PPJSGSJCTOUACE-UHFFFAOYSA-N 0 0 300.278 0.213 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CC=CC[C@H]1C(N)=O ZINC000534646475 334306133 /nfs/dbraw/zinc/30/61/33/334306133.db2.gz IQLTXFZCBKNXLY-GHMZBOCLSA-N 0 0 312.395 0.135 50 0 DCAARN Cc1cc(C)c(S(=O)(=O)N[C@H]2CCNC2=O)c2nonc21 ZINC000534636295 334309331 /nfs/dbraw/zinc/30/93/31/334309331.db2.gz CVPANFMJAPFLGB-QMMMGPOBSA-N 0 0 310.335 0.006 50 0 DCAARN COCc1nc(C)c(CNC(=O)CCc2nncn2C)s1 ZINC000534654326 334313118 /nfs/dbraw/zinc/31/31/18/334313118.db2.gz BNZHOPOULIFXIX-UHFFFAOYSA-N 0 0 309.395 0.975 50 0 DCAARN CN1CCO[C@H](CNC(=O)c2ccccc2-n2cncn2)C1 ZINC000534669325 334319779 /nfs/dbraw/zinc/31/97/79/334319779.db2.gz IOSZIKABVFUBIW-GFCCVEGCSA-N 0 0 301.350 0.328 50 0 DCAARN CCCCn1nnnc1CN1CCC[C@H](Cn2cncn2)C1 ZINC000069630306 337366432 /nfs/dbraw/zinc/36/64/32/337366432.db2.gz YAUROEOTWHRLNF-ZDUSSCGKSA-N 0 0 304.402 0.977 50 0 DCAARN CN1CCc2ccc(C(=O)N3CCc4nn(C)c(=O)cc4C3)cc21 ZINC000097097342 337382090 /nfs/dbraw/zinc/38/20/90/337382090.db2.gz MQAWPFVJQPIHSA-UHFFFAOYSA-N 0 0 324.384 0.971 50 0 DCAARN CC(C)(C)NC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000157306883 518740324 /nfs/dbraw/zinc/74/03/24/518740324.db2.gz VHCRTPBVRZAVMO-UHFFFAOYSA-N 0 0 303.370 0.754 50 0 DCAARN O=C([C@H]1COc2ccccc2O1)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000299566848 534642071 /nfs/dbraw/zinc/64/20/71/534642071.db2.gz SVVFBAXACJMRND-ZWNOBZJWSA-N 0 0 316.313 0.233 50 0 DCAARN CCN1OC[C@H](N2CCC[C@H](c3nnc4n3CCC4)C2)C1=O ZINC000408523285 527994921 /nfs/dbraw/zinc/99/49/21/527994921.db2.gz QQLPPLCUDYVWNL-RYUDHWBXSA-N 0 0 305.382 0.566 50 0 DCAARN CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000408517783 528126436 /nfs/dbraw/zinc/12/64/36/528126436.db2.gz TXZFIZDMKYTUJE-YPMHNXCESA-N 0 0 312.391 0.419 50 0 DCAARN CC(C)C[C@H](CNC(=O)[C@@H]1CCOC1)NC(=O)[C@H]1CCOC1 ZINC000240757086 528528474 /nfs/dbraw/zinc/52/84/74/528528474.db2.gz HWFDGSUOTKMRMZ-HZSPNIEDSA-N 0 0 312.410 0.707 50 0 DCAARN Cc1cnc(CN2CCO[C@@H](CN(C)c3cccnn3)C2)cn1 ZINC000084258456 545700556 /nfs/dbraw/zinc/70/05/56/545700556.db2.gz NDLHREXNOMPEQL-HNNXBMFYSA-N 0 0 314.393 0.912 50 0 DCAARN Cn1c2ccc(CNC(=O)c3cccc(N)n3)cc2n(C)c1=O ZINC000215768401 545937289 /nfs/dbraw/zinc/93/72/89/545937289.db2.gz HTFRQNMYEZHFQB-UHFFFAOYSA-N 0 0 311.345 0.784 50 0 DCAARN O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1c[nH]c(=O)[nH]1 ZINC000222339516 545941602 /nfs/dbraw/zinc/94/16/02/545941602.db2.gz PPDSHYSVHLQONI-KGLIPLIRSA-N 0 0 317.345 0.807 50 0 DCAARN CC(=O)NCC(=O)N1C[C@@H](c2ncon2)[C@@H](c2ccccc2)C1 ZINC000238815936 545960475 /nfs/dbraw/zinc/96/04/75/545960475.db2.gz BLXAOZGTGXKTSD-ZIAGYGMSSA-N 0 0 314.345 0.915 50 0 DCAARN COCCNc1ncc(Br)c(NCCOC)n1 ZINC000584907829 546302733 /nfs/dbraw/zinc/30/27/33/546302733.db2.gz KCKTWTVEHDVGSV-UHFFFAOYSA-N 0 0 305.176 0.200 50 0 DCAARN Cn1ccnc(NC[C@H](CO)Cc2ccncc2Cl)c1=O ZINC000585092266 546303304 /nfs/dbraw/zinc/30/33/04/546303304.db2.gz MFTLDNGGESUHQJ-SNVBAGLBSA-N 0 0 308.769 1.092 50 0 DCAARN CNC(=O)[C@@H]1CCC[C@H]1Nc1ccccc1S(=O)(=O)NC ZINC000585092675 546303487 /nfs/dbraw/zinc/30/34/87/546303487.db2.gz IZEBBWLTONOGHB-GHMZBOCLSA-N 0 0 311.407 0.921 50 0 DCAARN Cn1ncnc1CCNC(=O)CCC(=O)N1CCCCCC1 ZINC000670439846 547090787 /nfs/dbraw/zinc/09/07/87/547090787.db2.gz CUBUOCYPBYEXOD-UHFFFAOYSA-N 0 0 307.398 0.657 50 0 DCAARN CC(C)c1nccn1CCCNC(=O)CCNS(C)(=O)=O ZINC000670444714 547093371 /nfs/dbraw/zinc/09/33/71/547093371.db2.gz HBXGJJDOVLXTDE-UHFFFAOYSA-N 0 0 316.427 0.452 50 0 DCAARN Cc1cc(C)n2c(nnc2C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)n1 ZINC000670451834 547096164 /nfs/dbraw/zinc/09/61/64/547096164.db2.gz WJEKYYURBWJBCV-GHMZBOCLSA-N 0 0 314.349 0.291 50 0 DCAARN COC[C@H]1CCCN1S(=O)(=O)NCc1csc(C)n1 ZINC000670454173 547096429 /nfs/dbraw/zinc/09/64/29/547096429.db2.gz ZQVVMBMRHCBPQO-LLVKDONJSA-N 0 0 305.425 0.897 50 0 DCAARN CS(=O)(=O)NCC(=O)N[C@@H](Cn1cccn1)c1ccccc1 ZINC000670456119 547097893 /nfs/dbraw/zinc/09/78/93/547097893.db2.gz CEYRGXAWLJOYHI-ZDUSSCGKSA-N 0 0 322.390 0.290 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCN(C)[C@H](CCO)C2)c(C)c1 ZINC000670469740 547100640 /nfs/dbraw/zinc/10/06/40/547100640.db2.gz GGYBWCZBWQYCPZ-CQSZACIVSA-N 0 0 312.435 0.991 50 0 DCAARN CNC(=O)[C@@H]1CC(=O)N(C2CN(Cc3cc(C4CC4)no3)C2)C1 ZINC000685940682 548746807 /nfs/dbraw/zinc/74/68/07/548746807.db2.gz FLBADWMHFXLAAE-LLVKDONJSA-N 0 0 318.377 0.331 50 0 DCAARN O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)C(F)(F)C1(O)CCC1 ZINC000685941756 548746966 /nfs/dbraw/zinc/74/69/66/548746966.db2.gz HZYLSUUMKNFHKI-VHSXEESVSA-N 0 0 317.292 0.222 50 0 DCAARN CCOc1ccc(NC(=O)CNC(=O)N[C@H]2CCOC2=O)cc1 ZINC000685942048 548747223 /nfs/dbraw/zinc/74/72/23/548747223.db2.gz BXTFAMMRNOEFAO-LBPRGKRZSA-N 0 0 321.333 0.639 50 0 DCAARN CCc1ccnc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)c1 ZINC000685942119 548748193 /nfs/dbraw/zinc/74/81/93/548748193.db2.gz NOSZMKOYNCAPJF-UONOGXRCSA-N 0 0 302.334 0.943 50 0 DCAARN CCOC(=O)[C@@H]1CSCCN1C(=O)c1cccn2nnnc12 ZINC000685945148 548749257 /nfs/dbraw/zinc/74/92/57/548749257.db2.gz YHEODVWOFPSQDH-JTQLQIEISA-N 0 0 321.362 0.245 50 0 DCAARN Cc1cc(NC(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)nnc1C ZINC000328595894 563959890 /nfs/dbraw/zinc/95/98/90/563959890.db2.gz JIJUASJYPGRAQP-IAQYHMDHSA-N 0 0 306.366 1.505 50 0 DCAARN CC[C@@H]1C(=O)NCCN1c1nc2ccccc2c(=O)n1CCO ZINC000888095600 661169530 /nfs/dbraw/zinc/16/95/30/661169530.db2.gz UDXIDRNJECUYTE-CYBMUJFWSA-N 0 0 316.361 0.104 50 0 DCAARN C[C@@H](CN1CCCC1=O)NC(=O)c1cnc2c(c1)ncn2C ZINC000180956793 665466276 /nfs/dbraw/zinc/46/62/76/665466276.db2.gz MPXJXECEMPLGOY-JTQLQIEISA-N 0 0 301.350 0.709 50 0 DCAARN Cc1oc(C(=O)N2CC[C@@](C)(O)C2)cc1S(=O)(=O)N(C)C ZINC000175719744 657549839 /nfs/dbraw/zinc/54/98/39/657549839.db2.gz MZWUYHVNIPLCIO-CYBMUJFWSA-N 0 0 316.379 0.435 50 0 DCAARN COC(=O)CNC(=O)COC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000096477243 658613423 /nfs/dbraw/zinc/61/34/23/658613423.db2.gz QVDVNORGTNQPLT-WAYWQWQTSA-N 0 0 322.273 0.440 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)c1ccccc1-n1ccnn1 ZINC000182202050 665750063 /nfs/dbraw/zinc/75/00/63/665750063.db2.gz QRMGPOGWIPSNQG-CYBMUJFWSA-N 0 0 315.377 0.718 50 0 DCAARN CCNC(=O)[C@H]1CCN(S(=O)(=O)c2c[nH]c(CC)n2)C1 ZINC000952966518 665829500 /nfs/dbraw/zinc/82/95/00/665829500.db2.gz HZZFELUCDYPLAJ-VIFPVBQESA-N 0 0 300.384 0.119 50 0 DCAARN NC(=O)C[N@@H+]1CCC[C@H](C(=O)NC2(CO)CCCCCC2)C1 ZINC000952973733 665835356 /nfs/dbraw/zinc/83/53/56/665835356.db2.gz PBWHNRDERAWLIC-ZDUSSCGKSA-N 0 0 311.426 0.385 50 0 DCAARN Cc1c(CNC(=O)C2(n3cnnn3)CCCCC2)cnn1C ZINC000585090111 662949914 /nfs/dbraw/zinc/94/99/14/662949914.db2.gz MZUANDPVXHYAEV-UHFFFAOYSA-N 0 0 303.370 0.691 50 0 DCAARN COC[C@@H](O)CN(C)C(=O)c1cnn(C2CCOCC2)c1C ZINC000125681164 668149082 /nfs/dbraw/zinc/14/90/82/668149082.db2.gz DQHKMCCCMABUEO-ZDUSSCGKSA-N 0 0 311.382 0.622 50 0 DCAARN CN(CC(=O)NCC1(CO)CCOCC1)Cc1cccnc1 ZINC000952980895 685600654 /nfs/dbraw/zinc/60/06/54/685600654.db2.gz MPPNDQZRFKITKJ-UHFFFAOYSA-N 0 0 307.394 0.419 50 0 DCAARN COCCn1cc(CNC(=O)C2C(C)(C)C2(C)C)c(=O)[nH]c1=O ZINC000952994455 685603766 /nfs/dbraw/zinc/60/37/66/685603766.db2.gz VHNWJVNUTVILHD-UHFFFAOYSA-N 0 0 323.393 0.894 50 0 DCAARN CC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(F)cc3)CCN2C1=O ZINC000014539505 685047856 /nfs/dbraw/zinc/04/78/56/685047856.db2.gz GVNVNGLGNYHHJE-QWHCGFSZSA-N 0 0 319.336 0.387 50 0 DCAARN CN(C[C@@H]1COCCO1)c1nccc(N2CCC(O)CC2)n1 ZINC000065405289 685063970 /nfs/dbraw/zinc/06/39/70/685063970.db2.gz SNCYHKMWQIYHKP-CYBMUJFWSA-N 0 0 308.382 0.289 50 0 DCAARN Cc1ccc2nc(C(=O)N3CCC(O)(CO)CC3)c(F)n2c1 ZINC000067820826 685069242 /nfs/dbraw/zinc/06/92/42/685069242.db2.gz QXFXCBYFDCSHCQ-UHFFFAOYSA-N 0 0 307.325 0.741 50 0 DCAARN Cc1ccc(/C=C/C(=O)NCC(C)(C)NS(C)(=O)=O)cn1 ZINC000095993647 685111393 /nfs/dbraw/zinc/11/13/93/685111393.db2.gz OPTMEPCZCJJZPS-BQYQJAHWSA-N 0 0 311.407 0.847 50 0 DCAARN CS(=O)(=O)c1ccc(N2CCC([C@H](O)CO)CC2)nc1 ZINC001772704396 1157844030 /nfs/dbraw/zinc/84/40/30/1157844030.db2.gz QYLOSDIYQWFTJU-GFCCVEGCSA-N 0 0 300.380 0.055 50 0 DCAARN O=C(c1cc(N2CCOCC2)no1)N1CC[C@@H](O)C[C@@H]1C1CC1 ZINC001772705742 1157844107 /nfs/dbraw/zinc/84/41/07/1157844107.db2.gz ZGOPNOLUZLEPBW-CHWSQXEVSA-N 0 0 321.377 0.887 50 0 DCAARN Cc1cccn2c(CC(=O)N3CCC([C@@H](O)CO)CC3)cnc12 ZINC001772709030 1157846050 /nfs/dbraw/zinc/84/60/50/1157846050.db2.gz MJKAYGCVBBRNEB-HNNXBMFYSA-N 0 0 317.389 0.777 50 0 DCAARN NS(=O)(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 ZINC001704298618 1179964442 /nfs/dbraw/zinc/96/44/42/1179964442.db2.gz AKWVGIQVEDXNNZ-RISCZKNCSA-N 0 0 307.375 0.585 50 0 DCAARN O[C@H]1CCCN(c2ccnc(NCc3nnc4n3CCC4)n2)C1 ZINC001704298683 1179965183 /nfs/dbraw/zinc/96/51/83/1179965183.db2.gz BVZLCKDYPVUICH-NSHDSACASA-N 0 0 315.381 0.588 50 0 DCAARN CCn1nc(N2CCC3(CC2)C(=O)N(C)C(=O)N3C)nc1OC ZINC001704303181 1179966782 /nfs/dbraw/zinc/96/67/82/1179966782.db2.gz FQXJVUDESVVVEF-UHFFFAOYSA-N 0 0 322.369 0.169 50 0 DCAARN CNS(=O)(=O)CCNc1ncccc1C(=O)N1CCCC1 ZINC001704301033 1179966874 /nfs/dbraw/zinc/96/68/74/1179966874.db2.gz HDHPADJWNNLPGJ-UHFFFAOYSA-N 0 0 312.395 0.279 50 0 DCAARN Cc1cnc(N2CCC(c3nc(N)n[nH]3)CC2)nc1N(C)C ZINC001704306020 1179968547 /nfs/dbraw/zinc/96/85/47/1179968547.db2.gz ZILXMQXZVIAEJI-UHFFFAOYSA-N 0 0 302.386 0.935 50 0 DCAARN CCc1cnc(N2C[C@@H]3COC[C@H](C2)[N@H+](CC(=O)[O-])C3)nc1 ZINC001704312309 1179969122 /nfs/dbraw/zinc/96/91/22/1179969122.db2.gz PCFONPNHABQNQX-OLZOCXBDSA-N 0 0 306.366 0.261 50 0 DCAARN Cc1ncnc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1C ZINC001704313022 1179969524 /nfs/dbraw/zinc/96/95/24/1179969524.db2.gz DZAGZQXMTKPVHR-NWDGAFQWSA-N 0 0 314.411 0.412 50 0 DCAARN CCc1cnc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)nc1 ZINC001704314901 1179971150 /nfs/dbraw/zinc/97/11/50/1179971150.db2.gz XRUJKAAWEGYVDB-NWDGAFQWSA-N 0 0 314.411 0.357 50 0 DCAARN Cc1nc(CN(CCO)C(=O)CCN2CCCCCC2=O)c[nH]1 ZINC001704314555 1179971613 /nfs/dbraw/zinc/97/16/13/1179971613.db2.gz UTIJJMIRVIPCJL-UHFFFAOYSA-N 0 0 322.409 0.832 50 0 DCAARN CC[C@@]1(O)CCC[C@@H]2CN(S(=O)(=O)c3cnn(C)c3)C[C@@H]21 ZINC001704326830 1179974053 /nfs/dbraw/zinc/97/40/53/1179974053.db2.gz OOHFAJJRBURPEO-KWCYVHTRSA-N 0 0 313.423 0.982 50 0 DCAARN COc1ccc(C(=O)N(CCO)Cc2c[nH]c(C)n2)c(OC)n1 ZINC001704340780 1179979013 /nfs/dbraw/zinc/97/90/13/1179979013.db2.gz UGCQNGHIUKJKQZ-UHFFFAOYSA-N 0 0 320.349 0.765 50 0 DCAARN Cc1n[nH]nc1C(=O)N1CCC[C@@]2(CCc3cnc(N)nc32)C1 ZINC001704344502 1179980832 /nfs/dbraw/zinc/98/08/32/1179980832.db2.gz OVTXBZBJKKJBEZ-OAHLLOKOSA-N 0 0 313.365 0.606 50 0 DCAARN COC(=O)N[C@@H](C)C(=O)N1CCN(c2nc(C)cnc2C)CC1 ZINC001704351319 1179983628 /nfs/dbraw/zinc/98/36/28/1179983628.db2.gz VUBLKMSJILFUEZ-LBPRGKRZSA-N 0 0 321.381 0.487 50 0 DCAARN CCOCCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O ZINC001704356749 1179984323 /nfs/dbraw/zinc/98/43/23/1179984323.db2.gz JAHHNGDHOBZWHU-HUUCEWRRSA-N 0 0 320.389 0.805 50 0 DCAARN CSc1ncc(CN2CCCN(S(C)(=O)=O)CC2)cn1 ZINC001704357847 1179984676 /nfs/dbraw/zinc/98/46/76/1179984676.db2.gz YMOORIARMLDZMD-UHFFFAOYSA-N 0 0 316.452 0.666 50 0 DCAARN CC(=O)N1CCC([C@@H]2CCN(C(=O)CN3CCOCC3)C2)CC1 ZINC000581800456 747693972 /nfs/dbraw/zinc/69/39/72/747693972.db2.gz KNWMAUKHRUSKOC-MRXNPFEDSA-N 0 0 323.437 0.426 50 0 DCAARN O=C([C@H](O)C1CCCCC1)N1CCN(c2ncc[nH]c2=O)CC1 ZINC000215925830 747887057 /nfs/dbraw/zinc/88/70/57/747887057.db2.gz XARLCGCQOZZZMW-CYBMUJFWSA-N 0 0 320.393 0.360 50 0 DCAARN CCN1C(=O)[C@@H]2CC3(CN2C1=O)CCN(C(=O)N(C)C)CC3 ZINC000581803431 747973622 /nfs/dbraw/zinc/97/36/22/747973622.db2.gz LRCRJMPTBRYKNE-NSHDSACASA-N 0 0 308.382 0.807 50 0 DCAARN Cn1cccc1CN1CCn2c(nnc2[C@@H]2C[C@@H](O)CN2C)C1 ZINC000675010043 748025458 /nfs/dbraw/zinc/02/54/58/748025458.db2.gz HDLGEAWAHIYWFS-KGLIPLIRSA-N 0 0 316.409 0.370 50 0 DCAARN CC[C@@H](NS(=O)(=O)N1CCN(C)CC1)c1cccc(C)n1 ZINC000822658641 758202617 /nfs/dbraw/zinc/20/26/17/758202617.db2.gz HRSPPIBVSGLUAR-CYBMUJFWSA-N 0 0 312.439 0.923 50 0 DCAARN CCNC(=O)[C@H]1CC[C@@](C)(c2nc(CC(N)=O)n[nH]2)C1(C)C ZINC000823128477 758226130 /nfs/dbraw/zinc/22/61/30/758226130.db2.gz UTQSWMKXLQQRBO-PSLIRLAXSA-N 0 0 307.398 0.663 50 0 DCAARN CCc1nc(S(=O)(=O)NC[C@H]2CCCN(C(C)=O)C2)c[nH]1 ZINC000823484514 758249580 /nfs/dbraw/zinc/24/95/80/758249580.db2.gz OFGSIXOFGBDOMI-LLVKDONJSA-N 0 0 314.411 0.509 50 0 DCAARN Cc1csc(S(=O)(=O)NC[C@H]2CN(C)C(=O)CO2)c1 ZINC000823755833 758265015 /nfs/dbraw/zinc/26/50/15/758265015.db2.gz YXXKKKXTYVNFAE-VIFPVBQESA-N 0 0 304.393 0.192 50 0 DCAARN CNC(=O)[C@@H]1CCN(S(=O)(=O)N(C)Cc2ccccc2)C1 ZINC000823820135 758269317 /nfs/dbraw/zinc/26/93/17/758269317.db2.gz ORPOIJFLOLCVLF-CYBMUJFWSA-N 0 0 311.407 0.431 50 0 DCAARN COC[C@H]1CCCN1S(=O)(=O)N(C)Cc1cnn(C)c1C ZINC000824371075 758771796 /nfs/dbraw/zinc/77/17/96/758771796.db2.gz TWJSJBJLIGKKPN-CYBMUJFWSA-N 0 0 316.427 0.516 50 0 DCAARN COc1cccc(OC[C@@H](O)CNC(=O)c2ccnn2C)c1 ZINC000824785263 758785179 /nfs/dbraw/zinc/78/51/79/758785179.db2.gz VKBZYLKOAXJWHK-NSHDSACASA-N 0 0 305.334 0.598 50 0 DCAARN CN(C(=O)NCCc1noc(CO)n1)C1Cc2ccccc2C1 ZINC000828840487 759112422 /nfs/dbraw/zinc/11/24/22/759112422.db2.gz DKAMLEWZEHGMQX-UHFFFAOYSA-N 0 0 316.361 0.913 50 0 DCAARN CCC(=O)N1CC[C@H](c2nc(C)no2)[C@H](NC(=O)COC)C1 ZINC000581781182 760248531 /nfs/dbraw/zinc/24/85/31/760248531.db2.gz NWMHHYIWKNIKQV-WDEREUQCSA-N 0 0 310.354 0.235 50 0 DCAARN CCn1nccc1C(=O)N1CC[C@@H](CC(=O)N2CCOCC2)C1 ZINC000581783246 760250078 /nfs/dbraw/zinc/25/00/78/760250078.db2.gz XUYOJQAZVWGKEY-ZDUSSCGKSA-N 0 0 320.393 0.614 50 0 DCAARN COCCN(C)C(=O)c1cn(C2CN(C(=O)CC(C)C)C2)nn1 ZINC000581810854 760255192 /nfs/dbraw/zinc/25/51/92/760255192.db2.gz CJECSAGRKWUTRS-UHFFFAOYSA-N 0 0 323.397 0.426 50 0 DCAARN CS(=O)(=O)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1 ZINC000585502773 768082868 /nfs/dbraw/zinc/08/28/68/768082868.db2.gz NVRGHLURUGMYSA-UHFFFAOYSA-N 0 0 311.407 0.792 50 0 DCAARN COC(=O)c1ccc(NS(=O)(=O)C[C@@H]2CCCO2)c(=O)[nH]1 ZINC000585080796 766268162 /nfs/dbraw/zinc/26/81/62/766268162.db2.gz CYRONMBDKMEDDR-QMMMGPOBSA-N 0 0 316.335 0.495 50 0 DCAARN NS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1cccs1 ZINC000585085849 766270993 /nfs/dbraw/zinc/27/09/93/766270993.db2.gz DDQQPXDAFLDDDK-SNVBAGLBSA-N 0 0 303.409 0.422 50 0 DCAARN CS(=O)(=O)N[C@@H]1COc2ccc(Br)cc2C1=O ZINC000585114568 766285061 /nfs/dbraw/zinc/28/50/61/766285061.db2.gz JWLPSBFVVNBFOU-MRVPVSSYSA-N 0 0 320.164 0.942 50 0 DCAARN COC(=O)[C@H](Cc1ccccc1O)NC(=O)c1cncn1C ZINC000585127785 766289828 /nfs/dbraw/zinc/28/98/28/766289828.db2.gz JIYYQCRTMDBDRH-NSHDSACASA-N 0 0 303.318 0.640 50 0 DCAARN CSC[C@H](C)C(=O)NCCCn1cnc2c1ncnc2N ZINC000585130476 766292118 /nfs/dbraw/zinc/29/21/18/766292118.db2.gz RIBCOKCEKKWKAL-VIFPVBQESA-N 0 0 308.411 0.914 50 0 DCAARN C[C@H](c1ccc(F)nc1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000585132931 766292825 /nfs/dbraw/zinc/29/28/25/766292825.db2.gz HPZGWJNZPPDATC-MRVPVSSYSA-N 0 0 303.297 0.577 50 0 DCAARN COc1ccc(COCC(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000952879408 768943048 /nfs/dbraw/zinc/94/30/48/768943048.db2.gz HUQXWHFHLOPARR-YUELXQCFSA-N 0 0 309.362 0.602 50 0 DCAARN C[C@H](Cc1cn(C)nn1)NC(=O)c1ccc(-n2ccnn2)cc1 ZINC000952882747 768950328 /nfs/dbraw/zinc/95/03/28/768950328.db2.gz JDLWHCBIDZPOMV-LLVKDONJSA-N 0 0 311.349 0.757 50 0 DCAARN CC(=O)NCCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 ZINC001529112034 1014496643 /nfs/dbraw/zinc/49/66/43/1014496643.db2.gz GFDHNMOWIWEYAZ-GDBMZVCRSA-N 0 0 306.362 0.474 50 0 DCAARN CC(=O)Nc1nonc1NC(=O)CCc1c(C)nn(C)c1C ZINC001529142266 1014504184 /nfs/dbraw/zinc/50/41/84/1014504184.db2.gz JFSLKAGDAHTTSX-UHFFFAOYSA-N 0 0 306.326 0.950 50 0 DCAARN CCn1nc(C)cc1C(=O)N1C[C@@H](Cc2cc(C)n[nH]2)[C@H](O)C1 ZINC001529146012 1014504642 /nfs/dbraw/zinc/50/46/42/1014504642.db2.gz TXTXLVLKYBTIQZ-IUODEOHRSA-N 0 0 317.393 0.919 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)c2ccc(OC)nc2OC)cn1 ZINC001529152766 1014507672 /nfs/dbraw/zinc/50/76/72/1014507672.db2.gz XAVYBMVYENZENA-UHFFFAOYSA-N 0 0 319.321 0.294 50 0 DCAARN CCc1c(C)nn(C)c1NC(=O)[C@H]1CCc2nn(C)c(=O)n2C1 ZINC001529173324 1014513829 /nfs/dbraw/zinc/51/38/29/1014513829.db2.gz VIBXHPFPCCHSDE-JTQLQIEISA-N 0 0 318.381 0.387 50 0 DCAARN Cc1ncnc(N2CCN(C(=O)c3nccn3C)CC2)c1C ZINC001506398215 1017253668 /nfs/dbraw/zinc/25/36/68/1017253668.db2.gz NCOSNBBQMAITJP-UHFFFAOYSA-N 0 0 300.366 0.789 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)CCN2CCCCCC2=O)cn1 ZINC001506420015 1017266424 /nfs/dbraw/zinc/26/64/24/1017266424.db2.gz QLJXILKQXPYSDU-UHFFFAOYSA-N 0 0 321.381 0.360 50 0 DCAARN COC[C@H](c1ccccn1)N(C)C(=O)CCCS(N)(=O)=O ZINC001506431428 1017271544 /nfs/dbraw/zinc/27/15/44/1017271544.db2.gz JRTLZFGLPLOEAA-GFCCVEGCSA-N 0 0 315.395 0.296 50 0 DCAARN C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CCO1 ZINC000074614084 185002939 /nfs/dbraw/zinc/00/29/39/185002939.db2.gz RFCDUXKQPNNRRZ-CHWSQXEVSA-N 0 0 307.398 0.819 50 0 DCAARN O=C(Nc1cccnc1)[C@@H]1CCCN(c2ccc3nnnn3n2)C1 ZINC000095479626 185373459 /nfs/dbraw/zinc/37/34/59/185373459.db2.gz AMIIIHUBNCOWTG-LLVKDONJSA-N 0 0 324.348 0.769 50 0 DCAARN Cn1c(=O)cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc21 ZINC000074715063 185011617 /nfs/dbraw/zinc/01/16/17/185011617.db2.gz UQDAVXLTADOOSY-JTQLQIEISA-N 0 0 320.370 0.455 50 0 DCAARN CC(=O)NCC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000095502315 185375055 /nfs/dbraw/zinc/37/50/55/185375055.db2.gz QHTXYFUITRZXED-CZUORRHYSA-N 0 0 304.346 0.120 50 0 DCAARN CCCN1C(=O)N[C@H](Cc2nc(-c3cccnn3)no2)C1=O ZINC000095504954 185375397 /nfs/dbraw/zinc/37/53/97/185375397.db2.gz HSGDJPRWSZXDHX-SECBINFHSA-N 0 0 302.294 0.400 50 0 DCAARN CO[C@H]1CCN(C(=O)Cn2ncc(N3CCCCC3)cc2=O)C1 ZINC000095506718 185375643 /nfs/dbraw/zinc/37/56/43/185375643.db2.gz BTLAGTREDOIJFU-AWEZNQCLSA-N 0 0 320.393 0.481 50 0 DCAARN CCCn1cnnc1CN(C)C(=O)Cn1cccc(OC)c1=O ZINC000095519662 185377163 /nfs/dbraw/zinc/37/71/63/185377163.db2.gz SJNHRXIFACKVBM-UHFFFAOYSA-N 0 0 319.365 0.517 50 0 DCAARN Cc1cc(C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)on1 ZINC000078900588 185125410 /nfs/dbraw/zinc/12/54/10/185125410.db2.gz AEFHOTPKCWFJPZ-VIFPVBQESA-N 0 0 303.322 0.825 50 0 DCAARN Cc1cc(=O)n(C)cc1NC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000078976425 185138626 /nfs/dbraw/zinc/13/86/26/185138626.db2.gz ALRRNDDJFXCUBI-UHFFFAOYSA-N 0 0 324.344 0.851 50 0 DCAARN CC[C@@H]1CN(C(=O)COc2cc(C)on2)CCN1CCOC ZINC000089949223 185271286 /nfs/dbraw/zinc/27/12/86/185271286.db2.gz DTANAPLMJYAHRH-CYBMUJFWSA-N 0 0 311.382 0.931 50 0 DCAARN CCN(C(=O)c1ccn(C)c(=O)c1)[C@@H](C)CS(C)(=O)=O ZINC000097001888 185396079 /nfs/dbraw/zinc/39/60/79/185396079.db2.gz SIPBITVTPQOHLC-JTQLQIEISA-N 0 0 300.380 0.281 50 0 DCAARN Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)CNC(N)=O ZINC000095390833 185351376 /nfs/dbraw/zinc/35/13/76/185351376.db2.gz NPSCUALIKDCETN-GFCCVEGCSA-N 0 0 301.350 0.905 50 0 DCAARN CNS(=O)(=O)CCCN(C)CC(=O)Nc1cccc(F)c1 ZINC000095395011 185352565 /nfs/dbraw/zinc/35/25/65/185352565.db2.gz LEBAZOAWMSDDCL-UHFFFAOYSA-N 0 0 317.386 0.635 50 0 DCAARN CC(C)(C(=O)N1CC[C@@H](S(N)(=O)=O)C1)c1ccc(F)cc1 ZINC000095395539 185352627 /nfs/dbraw/zinc/35/26/27/185352627.db2.gz DIFKCLCIGLVZIS-GFCCVEGCSA-N 0 0 314.382 0.993 50 0 DCAARN O=C(NCc1ccco1)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000095405187 185355714 /nfs/dbraw/zinc/35/57/14/185355714.db2.gz USZLQXWLHUZDKG-LKFCYVNXSA-N 0 0 306.322 0.457 50 0 DCAARN CCCN(C(=O)NC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000095444201 185367038 /nfs/dbraw/zinc/36/70/38/185367038.db2.gz SMBQWWMNYZGBIP-RYUDHWBXSA-N 0 0 304.412 0.774 50 0 DCAARN Cc1ccc(OCC(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1C ZINC000095451934 185369343 /nfs/dbraw/zinc/36/93/43/185369343.db2.gz QDDICUWVAJLREL-AWEZNQCLSA-N 0 0 320.389 0.734 50 0 DCAARN COC(=O)CCN1CC[C@H](NC(=O)c2cc(F)ccc2O)C1=O ZINC000095452863 185369392 /nfs/dbraw/zinc/36/93/92/185369392.db2.gz FHWSPBQSQNUSPD-NSHDSACASA-N 0 0 324.308 0.425 50 0 DCAARN CC(=O)N1CCOC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000095440937 185366272 /nfs/dbraw/zinc/36/62/72/185366272.db2.gz WWHAOSXDHQJDHS-KBPBESRZSA-N 0 0 304.346 0.354 50 0 DCAARN COc1cccc(NC(=O)NCCCN2CCNC(=O)C2)c1 ZINC000095455372 185369849 /nfs/dbraw/zinc/36/98/49/185369849.db2.gz VGNVLHIFHFIDHF-UHFFFAOYSA-N 0 0 306.366 0.639 50 0 DCAARN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCO1 ZINC000095455541 185370186 /nfs/dbraw/zinc/37/01/86/185370186.db2.gz YDNPKUFRUJJJMY-ZYHUDNBSSA-N 0 0 324.402 0.818 50 0 DCAARN C[C@H](NC(=O)c1cccn2c(=O)[nH]nc12)C(=O)N1CCCCC1 ZINC000095456877 185370213 /nfs/dbraw/zinc/37/02/13/185370213.db2.gz OZZYAAUTKPIPCN-JTQLQIEISA-N 0 0 317.349 0.153 50 0 DCAARN CNC(=O)[C@H](C)CN(C)c1cnn(C)c(=O)c1Br ZINC000097011585 185396924 /nfs/dbraw/zinc/39/69/24/185396924.db2.gz SWYPQAZZQNBVGD-SSDOTTSWSA-N 0 0 317.187 0.361 50 0 DCAARN C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CC(=O)N1 ZINC000095468809 185372459 /nfs/dbraw/zinc/37/24/59/185372459.db2.gz LXFNSLNOLZLHKA-NEPJUHHUSA-N 0 0 319.361 0.479 50 0 DCAARN CCc1nnc(CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)[nH]1 ZINC000097096306 185409206 /nfs/dbraw/zinc/40/92/06/185409206.db2.gz LJUQBWRRCDVTLP-VIFPVBQESA-N 0 0 321.406 0.966 50 0 DCAARN Cn1cc(Cl)cc1C(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC000286709089 219121537 /nfs/dbraw/zinc/12/15/37/219121537.db2.gz KUUHXTNZAQVYSR-UHFFFAOYSA-N 0 0 324.768 0.929 50 0 DCAARN NS(=O)(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000092977166 534972903 /nfs/dbraw/zinc/97/29/03/534972903.db2.gz FUXIDFBRDPIXAH-QMMMGPOBSA-N 0 0 311.285 0.757 50 0 DCAARN CC[C@@H](C)[C@H](CO)NC(=O)c1ccc(Cn2cnnn2)cc1 ZINC000230210295 201871216 /nfs/dbraw/zinc/87/12/16/201871216.db2.gz USEJRRNSSFZNCF-RISCZKNCSA-N 0 0 303.366 0.858 50 0 DCAARN O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CC[C@@H]1c1ccc(F)cc1 ZINC000071714471 191011527 /nfs/dbraw/zinc/01/15/27/191011527.db2.gz UWBVOIZCXQDZJB-GFCCVEGCSA-N 0 0 303.293 0.718 50 0 DCAARN CC(C)c1cc(C(=O)N2CCc3c(nc(N)[nH]c3=O)C2)on1 ZINC000071721348 191013306 /nfs/dbraw/zinc/01/33/06/191013306.db2.gz DIPPZYRWYJHWIO-UHFFFAOYSA-N 0 0 303.322 0.662 50 0 DCAARN CN(CCNC(=O)c1cccc2c1NCCC2)S(C)(=O)=O ZINC000071735699 191018325 /nfs/dbraw/zinc/01/83/25/191018325.db2.gz RUIOQMAXBJIZQQ-UHFFFAOYSA-N 0 0 311.407 0.666 50 0 DCAARN CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(OC)c1OC ZINC000072128387 191043392 /nfs/dbraw/zinc/04/33/92/191043392.db2.gz PDQODDCVTCTVCT-GFCCVEGCSA-N 0 0 321.377 0.140 50 0 DCAARN O=C(NC1CC1)[C@H]1CNCCN1C(=O)c1cccc2cnccc21 ZINC000072128110 191043908 /nfs/dbraw/zinc/04/39/08/191043908.db2.gz NVGPTLYVVLLDRQ-MRXNPFEDSA-N 0 0 324.384 0.927 50 0 DCAARN O=C(CCn1cc(Cl)cn1)N1CCC[C@@](O)(CO)CC1 ZINC000072143031 191049609 /nfs/dbraw/zinc/04/96/09/191049609.db2.gz XLGBEAIGCIZANT-ZDUSSCGKSA-N 0 0 301.774 0.663 50 0 DCAARN CN(Cc1ccncn1)C(=O)c1cn(C[C@@H]2CCCO2)nn1 ZINC000072163624 191063333 /nfs/dbraw/zinc/06/33/33/191063333.db2.gz HHFJYYSOKFCAOU-LBPRGKRZSA-N 0 0 302.338 0.519 50 0 DCAARN CC(C)N1C[C@H](C(=O)N2CCC[C@@H](n3cncn3)C2)CC1=O ZINC000072234837 191078832 /nfs/dbraw/zinc/07/88/32/191078832.db2.gz JNVUMQDKJFXUMJ-CHWSQXEVSA-N 0 0 305.382 0.699 50 0 DCAARN Cn1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)cn1 ZINC000072237885 191081535 /nfs/dbraw/zinc/08/15/35/191081535.db2.gz DGEOBBAPAIIMBR-CABCVRRESA-N 0 0 314.345 0.957 50 0 DCAARN CC(C)(C)OC(=O)N[C@H]1CCN(c2nccn3c(=O)[nH]nc23)C1 ZINC000072238905 191082144 /nfs/dbraw/zinc/08/21/44/191082144.db2.gz RLCWPEPSNSRIJM-VIFPVBQESA-N 0 0 320.353 0.521 50 0 DCAARN Cc1cc(C(=O)NCCCNC(=O)c2nnsc2C)nn1C ZINC000072239913 191084202 /nfs/dbraw/zinc/08/42/02/191084202.db2.gz WWANKXBVXMTBDX-UHFFFAOYSA-N 0 0 322.394 0.438 50 0 DCAARN Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)nc(N2CCCC2)n1 ZINC000072241133 191085196 /nfs/dbraw/zinc/08/51/96/191085196.db2.gz TUUKLSATMMKGOH-LLVKDONJSA-N 0 0 324.406 0.302 50 0 DCAARN COCc1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000072240290 191083747 /nfs/dbraw/zinc/08/37/47/191083747.db2.gz UOFQOJPCYUZPOE-NSHDSACASA-N 0 0 319.404 0.298 50 0 DCAARN Cn1cc([C@]2(C)CN(c3cnn(C)c(=O)c3Cl)CCO2)cn1 ZINC000089919571 282683734 /nfs/dbraw/zinc/68/37/34/282683734.db2.gz OQZIEPADWJIUJV-AWEZNQCLSA-N 0 0 323.784 0.919 50 0 DCAARN CCC(=O)N1CSC[C@H]1C(=O)NC[C@H](O)COCC(C)C ZINC000084718672 192460844 /nfs/dbraw/zinc/46/08/44/192460844.db2.gz VMXZCDOQETVCBE-RYUDHWBXSA-N 0 0 318.439 0.448 50 0 DCAARN CCc1nc([C@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)no1 ZINC000072279328 191100756 /nfs/dbraw/zinc/10/07/56/191100756.db2.gz BLGYVWPOMHRQQX-LLVKDONJSA-N 0 0 319.365 0.367 50 0 DCAARN CC(C)[C@H](C(=O)N[C@H]1CCc2nccn2C1)N1CCCC1=O ZINC000072279411 191099336 /nfs/dbraw/zinc/09/93/36/191099336.db2.gz KOFBUVNECNZJSO-SWLSCSKDSA-N 0 0 304.394 0.961 50 0 DCAARN Cn1nc2c(cc1=O)CN(Cc1nc(-c3ccoc3)no1)CC2 ZINC000072302414 191115706 /nfs/dbraw/zinc/11/57/06/191115706.db2.gz OXBSDAGWWCFHPF-UHFFFAOYSA-N 0 0 313.317 0.982 50 0 DCAARN CCN(CCCNC(=O)NC1CCSCC1)S(C)(=O)=O ZINC000253392421 186303021 /nfs/dbraw/zinc/30/30/21/186303021.db2.gz CVIPBYOBYQWCPJ-UHFFFAOYSA-N 0 0 323.484 0.853 50 0 DCAARN O=C1[C@@H](N2C(=O)[C@@H]3CCCN3C2=O)CCN1CC(F)(F)F ZINC000253393859 186303471 /nfs/dbraw/zinc/30/34/71/186303471.db2.gz AMTGJRSNDINTSL-YUMQZZPRSA-N 0 0 305.256 0.576 50 0 DCAARN CN(Cc1nc[nH]n1)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000253393862 186303479 /nfs/dbraw/zinc/30/34/79/186303479.db2.gz CFGMZBHTNWDXII-UHFFFAOYSA-N 0 0 324.362 0.787 50 0 DCAARN Cc1cc(N2CC[C@@H](N3C(=O)[C@H]4CCCN4C3=O)C2=O)n(C)n1 ZINC000253393882 186303581 /nfs/dbraw/zinc/30/35/81/186303581.db2.gz DEDBHFIVKHUMBN-GHMZBOCLSA-N 0 0 317.349 0.260 50 0 DCAARN Cc1cc(NC(=O)Cn2cnc3snc(C)c3c2=O)n(C)n1 ZINC000253400579 186306828 /nfs/dbraw/zinc/30/68/28/186306828.db2.gz VVLLKMKCNXRYRU-UHFFFAOYSA-N 0 0 318.362 0.842 50 0 DCAARN Cn1ccc2c1cccc2OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000253409235 186308709 /nfs/dbraw/zinc/30/87/09/186308709.db2.gz LOOYXVDYRMMTJL-NSHDSACASA-N 0 0 322.386 0.860 50 0 DCAARN CC[NH+]1CCN(c2ncc(C([O-])=CC(=O)OC)c(C)n2)CC1 ZINC000072406610 191153039 /nfs/dbraw/zinc/15/30/39/191153039.db2.gz WQOCDMLKQGRJCC-UHFFFAOYSA-N 0 0 306.366 0.673 50 0 DCAARN O=C([C@H]1CNC(=O)N1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000072411415 191154804 /nfs/dbraw/zinc/15/48/04/191154804.db2.gz JHHRFFZWZVLSOH-CQSZACIVSA-N 0 0 320.368 0.541 50 0 DCAARN CCOc1ccc(C[N@@H+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)cc1 ZINC000072425788 191160544 /nfs/dbraw/zinc/16/05/44/191160544.db2.gz MAIMUADSMATOTQ-XJKSGUPXSA-N 0 0 304.346 0.718 50 0 DCAARN CC[C@@H]1c2cccn2CCN1C(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC000072438371 191167817 /nfs/dbraw/zinc/16/78/17/191167817.db2.gz SVLOWMDKDQOBDV-GFCCVEGCSA-N 0 0 316.361 0.640 50 0 DCAARN Cc1nn(CCO)cc1CN1CC[C@H]2[NH2+]CCC[C@]2(C(=O)[O-])C1 ZINC000072478599 191180338 /nfs/dbraw/zinc/18/03/38/191180338.db2.gz JLTAXAHSBFZKBP-ZBFHGGJFSA-N 0 0 322.409 0.213 50 0 DCAARN CN(c1ccc(C(=O)NC[C@H]2CCCO2)cc1)S(C)(=O)=O ZINC000000479700 180803958 /nfs/dbraw/zinc/80/39/58/180803958.db2.gz BXPYEQXPMAAHGH-CYBMUJFWSA-N 0 0 312.391 0.991 50 0 DCAARN NC(=O)CSc1nnc(-c2cnccn2)n1Cc1ccco1 ZINC000000533440 180816232 /nfs/dbraw/zinc/81/62/32/180816232.db2.gz QIRSHOMRAOIUKZ-UHFFFAOYSA-N 0 0 316.346 0.954 50 0 DCAARN Cn1cc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000173869288 198262078 /nfs/dbraw/zinc/26/20/78/198262078.db2.gz MOJZBXKYJANWOU-CYBMUJFWSA-N 0 0 312.439 0.963 50 0 DCAARN Cn1cc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000173869300 198262099 /nfs/dbraw/zinc/26/20/99/198262099.db2.gz MOJZBXKYJANWOU-ZDUSSCGKSA-N 0 0 312.439 0.963 50 0 DCAARN Cc1ccc([C@](C)(O)CNC(=O)N[C@H]2CCCCNC2=O)o1 ZINC000173909370 198266646 /nfs/dbraw/zinc/26/66/46/198266646.db2.gz ADXCAXGYVXZCTP-XHDPSFHLSA-N 0 0 309.366 0.763 50 0 DCAARN Cc1ccc([C@@](C)(O)CNC(=O)N[C@H]2CCCCNC2=O)o1 ZINC000173909382 198267502 /nfs/dbraw/zinc/26/75/02/198267502.db2.gz ADXCAXGYVXZCTP-NHYWBVRUSA-N 0 0 309.366 0.763 50 0 DCAARN COC(=O)[C@@H](C)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000173983225 198275811 /nfs/dbraw/zinc/27/58/11/198275811.db2.gz KVWHRTXZGVXQDR-CYBMUJFWSA-N 0 0 319.405 0.977 50 0 DCAARN CCOc1ccc(C(=O)OCC(=O)NC(N)=O)cc1OCC ZINC000002653231 180944639 /nfs/dbraw/zinc/94/46/39/180944639.db2.gz NHIOFCGVSMXTKZ-UHFFFAOYSA-N 0 0 310.306 0.836 50 0 DCAARN C[C@@H](OC(=O)CCS(=O)(=O)c1ccccc1Cl)C(N)=O ZINC000002663307 180946414 /nfs/dbraw/zinc/94/64/14/180946414.db2.gz WDMMUFKPINAGIC-MRVPVSSYSA-N 0 0 319.766 0.921 50 0 DCAARN Cn1c(=O)cc(NC(=O)CSCc2ccccc2)n(C)c1=O ZINC000002711194 180948447 /nfs/dbraw/zinc/94/84/47/180948447.db2.gz BZUKZPVMDZSJMS-UHFFFAOYSA-N 0 0 319.386 0.956 50 0 DCAARN CC(=O)N1CCN(C(=O)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000003376281 181012994 /nfs/dbraw/zinc/01/29/94/181012994.db2.gz OWNZNVNOFZVIIC-UHFFFAOYSA-N 0 0 300.318 0.227 50 0 DCAARN Nn1c(SCC(=O)N2CCCC2=O)nnc1-c1cccnc1 ZINC000003444289 181021034 /nfs/dbraw/zinc/02/10/34/181021034.db2.gz JGUVZLWBFLGFJM-UHFFFAOYSA-N 0 0 318.362 0.295 50 0 DCAARN CCCCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCOC)c2=O ZINC000003906584 181055723 /nfs/dbraw/zinc/05/57/23/181055723.db2.gz CAPRGBBXPGXRGF-UHFFFAOYSA-N 0 0 319.361 0.866 50 0 DCAARN CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1[C@H](C)C(C)=O ZINC000004033950 181065462 /nfs/dbraw/zinc/06/54/62/181065462.db2.gz BNTLKTMOXUZDPF-SECBINFHSA-N 0 0 321.381 0.430 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCOC(C)C)C1 ZINC000003958062 181059953 /nfs/dbraw/zinc/05/99/53/181059953.db2.gz XNZBIXFXAVQTFP-ZDUSSCGKSA-N 0 0 320.455 0.979 50 0 DCAARN NC(=O)Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O ZINC000004165881 181081091 /nfs/dbraw/zinc/08/10/91/181081091.db2.gz AVDWRVVZWHOMRH-UHFFFAOYSA-N 0 0 303.709 0.721 50 0 DCAARN Cc1ccc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1C ZINC000004338502 181100116 /nfs/dbraw/zinc/10/01/16/181100116.db2.gz CYDPGSASAZUIQB-UHFFFAOYSA-N 0 0 324.358 0.469 50 0 DCAARN CN(C(=S)NC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000004387747 181105889 /nfs/dbraw/zinc/10/58/89/181105889.db2.gz HYVBBLZFJQXLFU-MRVPVSSYSA-N 0 0 302.377 0.413 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2nnc(-c3ccccc3)n2)C[C@H](C)O1 ZINC000004549408 181123303 /nfs/dbraw/zinc/12/33/03/181123303.db2.gz SDTJWUVJIYBNCG-TXEJJXNPSA-N 0 0 301.350 0.976 50 0 DCAARN COC(=O)c1cn(Cc2cccnc2)cc(C(=O)OC)c1=O ZINC000004709940 181140450 /nfs/dbraw/zinc/14/04/50/181140450.db2.gz SCYQITDFHCSBIF-UHFFFAOYSA-N 0 0 302.286 0.865 50 0 DCAARN CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1 ZINC000004840471 181160712 /nfs/dbraw/zinc/16/07/12/181160712.db2.gz OXTFPCHGWNZKBX-CYBMUJFWSA-N 0 0 305.334 0.879 50 0 DCAARN Cc1ccc(-n2nnc3c2ncn(CC(N)=O)c3=O)cc1Cl ZINC000005057352 181198349 /nfs/dbraw/zinc/19/83/49/181198349.db2.gz NTWSBHKVZZFCQL-UHFFFAOYSA-N 0 0 318.724 0.424 50 0 DCAARN Cn1cc(S(=O)(=O)NCCSc2nccn2C)cn1 ZINC000077383471 191705785 /nfs/dbraw/zinc/70/57/85/191705785.db2.gz FDNVYWUOOGZFEB-UHFFFAOYSA-N 0 0 301.397 0.224 50 0 DCAARN Cn1cnnc1SCC(=O)NC(=O)NCc1ccccc1 ZINC000005118716 181204906 /nfs/dbraw/zinc/20/49/06/181204906.db2.gz HHXULSHRFCIVCH-UHFFFAOYSA-N 0 0 305.363 0.933 50 0 DCAARN CS(=O)(=O)CCNC(=O)N[C@@H]1CCN(c2ccccc2)C1 ZINC000078605073 191893073 /nfs/dbraw/zinc/89/30/73/191893073.db2.gz YNWNRUGEIBJFHQ-GFCCVEGCSA-N 0 0 311.407 0.609 50 0 DCAARN O=C(NCCCn1ccnc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000005250943 181221710 /nfs/dbraw/zinc/22/17/10/181221710.db2.gz OKQDCDZVEYGWQN-UHFFFAOYSA-N 0 0 316.317 0.757 50 0 DCAARN CC(=O)C(Sc1nnnn1-c1ccccc1)C(=O)N(C)C ZINC000005283718 181226199 /nfs/dbraw/zinc/22/61/99/181226199.db2.gz FPAUBNMCIMUOQR-NSHDSACASA-N 0 0 305.363 0.800 50 0 DCAARN O=C(NCc1ccccn1)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000005352895 181233690 /nfs/dbraw/zinc/23/36/90/181233690.db2.gz QBCNRZOHWHMRMV-ZDUSSCGKSA-N 0 0 319.361 0.500 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)Sc1n[nH]c(-c2ccncc2)n1 ZINC000005531767 181254623 /nfs/dbraw/zinc/25/46/23/181254623.db2.gz BBSSBWVMQYTWQV-ZETCQYMHSA-N 0 0 306.351 0.803 50 0 DCAARN Cc1nn(C)c2c1S(=O)(=O)N=C(N1CCOCC1)S2 ZINC000000141870 293754651 /nfs/dbraw/zinc/75/46/51/293754651.db2.gz NFLOZCQOOGKCBT-UHFFFAOYSA-N 0 0 302.381 0.211 50 0 DCAARN CCCN1CC(=O)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000055392755 283317199 /nfs/dbraw/zinc/31/71/99/283317199.db2.gz JHFASALQOKAMKY-UONOGXRCSA-N 0 0 308.403 0.911 50 0 DCAARN CCCN1CC(=O)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000238900536 283317508 /nfs/dbraw/zinc/31/75/08/283317508.db2.gz JHFASALQOKAMKY-ZIAGYGMSSA-N 0 0 308.403 0.911 50 0 DCAARN Cc1ccc(S(=O)(=O)NCC(=O)OC[C@H]2CCOC2)cc1 ZINC000050296644 236853527 /nfs/dbraw/zinc/85/35/27/236853527.db2.gz VJECRFCCJGSVHW-LBPRGKRZSA-N 0 0 313.375 0.853 50 0 DCAARN Cc1nc2ccc(C)cn2c1C(=O)N[C@H]1C[NH2+][C@H](C(=O)[O-])C1 ZINC000426648199 240352718 /nfs/dbraw/zinc/35/27/18/240352718.db2.gz UVGQHSFIDRQDMQ-MNOVXSKESA-N 0 0 302.334 0.496 50 0 DCAARN Cn1c(CCNC(=O)[C@@H]2COCCN2)nc2c1cccc2F ZINC000237735753 202343004 /nfs/dbraw/zinc/34/30/04/202343004.db2.gz FHXPMZBZBCJMEM-NSHDSACASA-N 0 0 306.341 0.360 50 0 DCAARN NS(=O)(=O)CC1CCN(C(=O)N[C@@H]2C=CCCC2)CC1 ZINC000192519795 200892652 /nfs/dbraw/zinc/89/26/52/200892652.db2.gz XGASIYHAWDGCFE-GFCCVEGCSA-N 0 0 301.412 0.805 50 0 DCAARN O=C(Nc1nc[nH]n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000006415047 181338983 /nfs/dbraw/zinc/33/89/83/181338983.db2.gz UOBNIVVJCBCKDV-UHFFFAOYSA-N 0 0 321.362 0.842 50 0 DCAARN CC(C)N1C(=O)C(=O)N(CC(=O)N[C@H]2CCCC[C@@H]2C)C1=O ZINC000006435894 181340398 /nfs/dbraw/zinc/34/03/98/181340398.db2.gz XYVWXIVTLJBTEE-QWRGUYRKSA-N 0 0 309.366 0.881 50 0 DCAARN Cc1cnn(CCNC(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000194974476 201320391 /nfs/dbraw/zinc/32/03/91/201320391.db2.gz ZVRCKAUNNSVNGV-GASCZTMLSA-N 0 0 323.441 0.942 50 0 DCAARN CC(C)CCNC(=O)NC(=O)CSc1nc(N)cc(=O)[nH]1 ZINC000006504974 181346873 /nfs/dbraw/zinc/34/68/73/181346873.db2.gz UNNWABPBYVXCKF-UHFFFAOYSA-N 0 0 313.383 0.316 50 0 DCAARN CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1COc2ccccc2O1 ZINC000006612510 181361009 /nfs/dbraw/zinc/36/10/09/181361009.db2.gz OKAPATYHJOVFJD-JOYOIKCWSA-N 0 0 322.317 0.604 50 0 DCAARN Cc1ccc(C(=O)[C@H]2C=C([O-])NC(N3CCOCC3)=[NH+]2)cc1 ZINC000006661204 181367195 /nfs/dbraw/zinc/36/71/95/181367195.db2.gz GXGMHFWDXOKRLH-CYBMUJFWSA-N 0 0 301.346 0.754 50 0 DCAARN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC)cc1C ZINC000006703891 181375400 /nfs/dbraw/zinc/37/54/00/181375400.db2.gz UAHRNUNDEJRPLB-SNVBAGLBSA-N 0 0 300.380 0.807 50 0 DCAARN CC(C)OCCCNS(=O)(=O)c1csc(C(N)=O)c1 ZINC000006859565 181398467 /nfs/dbraw/zinc/39/84/67/181398467.db2.gz NKPLYULPVNEADM-UHFFFAOYSA-N 0 0 306.409 0.940 50 0 DCAARN CCNc1ncc(C(=O)N(C)Cc2nc(CCOC)no2)cn1 ZINC000091289606 193031347 /nfs/dbraw/zinc/03/13/47/193031347.db2.gz NMMTUVVADBTNEQ-UHFFFAOYSA-N 0 0 320.353 0.753 50 0 DCAARN Cc1ccc(-c2noc(Cn3cc(C)c(=O)[nH]c3=O)n2)nn1 ZINC000091304822 193037366 /nfs/dbraw/zinc/03/73/66/193037366.db2.gz JRISHZBWZZEJBZ-UHFFFAOYSA-N 0 0 300.278 0.042 50 0 DCAARN CCn1nc(C)c(CCNC(=O)c2cnc(C)[nH]c2=O)c1C ZINC000091616542 193079665 /nfs/dbraw/zinc/07/96/65/193079665.db2.gz NUNXLALUBLSTMQ-UHFFFAOYSA-N 0 0 303.366 0.884 50 0 DCAARN Cc1cc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)c(=O)[nH]c1C ZINC000091663300 193087156 /nfs/dbraw/zinc/08/71/56/193087156.db2.gz VGGFXHLATGQMBN-CQSZACIVSA-N 0 0 319.405 0.929 50 0 DCAARN CC(C)Cn1cncc1CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC000091678838 193090529 /nfs/dbraw/zinc/09/05/29/193090529.db2.gz WQWVFZJOFRYOIO-LLVKDONJSA-N 0 0 307.354 0.144 50 0 DCAARN CN(CCNC(=O)COc1ccc(F)cc1F)S(C)(=O)=O ZINC000091707601 193094642 /nfs/dbraw/zinc/09/46/42/193094642.db2.gz HSUHWOYREQGFKZ-UHFFFAOYSA-N 0 0 322.333 0.351 50 0 DCAARN CN(CCCc1cnn(C)c1)C(=O)C1CCN(CC(N)=O)CC1 ZINC000091707413 193094731 /nfs/dbraw/zinc/09/47/31/193094731.db2.gz FEAYHYZBFBWXCX-UHFFFAOYSA-N 0 0 321.425 0.008 50 0 DCAARN Nc1n[nH]c(CCC(=O)N2CCC[C@](CO)(CC3CC3)C2)n1 ZINC000091706822 193095499 /nfs/dbraw/zinc/09/54/99/193095499.db2.gz GXGRNZJPBMZCAE-HNNXBMFYSA-N 0 0 307.398 0.721 50 0 DCAARN Cc1cc(C)nc(CCNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC000092061539 193149969 /nfs/dbraw/zinc/14/99/69/193149969.db2.gz YVVFLDIZCXPFLR-GFCCVEGCSA-N 0 0 302.378 0.763 50 0 DCAARN NS(=O)(=O)c1ccc(C(=O)NCCC[C@@H]2CCOC2)cc1 ZINC000216173637 201482718 /nfs/dbraw/zinc/48/27/18/201482718.db2.gz BDWJEHBPHNHEKX-LLVKDONJSA-N 0 0 312.391 0.881 50 0 DCAARN CCn1nc(C)cc1C(=O)N1CCC2(CC1)CN(C)C(=O)CO2 ZINC000216992317 201507583 /nfs/dbraw/zinc/50/75/83/201507583.db2.gz UOLXGOVWACILSR-UHFFFAOYSA-N 0 0 320.393 0.675 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1ncc[nH]c1=O ZINC000219728847 201562194 /nfs/dbraw/zinc/56/21/94/201562194.db2.gz ISIITJLUQQOVEO-VXGBXAGGSA-N 0 0 307.350 0.886 50 0 DCAARN O=C(Cn1ccnn1)N[C@@H]1COCC[C@@H]1OCc1cscn1 ZINC000220550281 201578171 /nfs/dbraw/zinc/57/81/71/201578171.db2.gz KKTNWXNJKZYRII-NEPJUHHUSA-N 0 0 323.378 0.225 50 0 DCAARN CC(C)(C)n1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000221250980 201586245 /nfs/dbraw/zinc/58/62/45/201586245.db2.gz VTLMYYKWHSDEAQ-GHMZBOCLSA-N 0 0 300.380 0.131 50 0 DCAARN O=C(CCCn1cncn1)NCCCc1nnc2ccccn21 ZINC000222634053 201617983 /nfs/dbraw/zinc/61/79/83/201617983.db2.gz CUPFPRAURVUPLI-UHFFFAOYSA-N 0 0 313.365 0.850 50 0 DCAARN Cc1nn(CC(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c(=O)c2ccccc12 ZINC000223056423 201630406 /nfs/dbraw/zinc/63/04/06/201630406.db2.gz XNCBQBASCFVERO-ILXRZTDVSA-N 0 0 313.357 0.999 50 0 DCAARN C[C@@H](NC(=O)c1ccn2nnnc2c1)c1nnc2ccccn21 ZINC000223236019 201638256 /nfs/dbraw/zinc/63/82/56/201638256.db2.gz DSRGWUWFLBSXEM-SECBINFHSA-N 0 0 308.305 0.658 50 0 DCAARN CCn1c(CN2CCOC[C@@H]2C(N)=O)nc2c1cccc2F ZINC000092228894 193176808 /nfs/dbraw/zinc/17/68/08/193176808.db2.gz VEMZVKACNFZNPC-GFCCVEGCSA-N 0 0 306.341 0.881 50 0 DCAARN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cn2nc(C)cc2N)on1 ZINC000095366646 193433740 /nfs/dbraw/zinc/43/37/40/193433740.db2.gz DKDHUEAIFPQSQD-YPMHNXCESA-N 0 0 319.365 0.444 50 0 DCAARN COc1cccc2c1OC[C@@H](C(=O)NCc1nc(N)n[nH]1)C2 ZINC000095384907 193442291 /nfs/dbraw/zinc/44/22/91/193442291.db2.gz IIINPNGGHILQEC-VIFPVBQESA-N 0 0 303.322 0.263 50 0 DCAARN CSC[C@@](C)(O)CNS(=O)(=O)c1c(C)nn(C)c1C ZINC000096025973 193490956 /nfs/dbraw/zinc/49/09/56/193490956.db2.gz ZIQVOTAOCTUVHW-NSHDSACASA-N 0 0 307.441 0.429 50 0 DCAARN CC(C)(C)NC(=O)NC(=O)CSc1n[nH]c(=O)n1C1CC1 ZINC000008213199 181535975 /nfs/dbraw/zinc/53/59/75/181535975.db2.gz ZLHLFPQZUANYDL-UHFFFAOYSA-N 0 0 313.383 0.623 50 0 DCAARN CCOC(=O)c1ccc(S(=O)(=O)NCCC(=O)OC)cc1 ZINC000008131846 181528765 /nfs/dbraw/zinc/52/87/65/181528765.db2.gz DRMSDHHSNYXMTL-UHFFFAOYSA-N 0 0 315.347 0.705 50 0 DCAARN Cc1nonc1CN1CCN(c2ncccc2C(N)=O)CC1 ZINC000265029525 204351050 /nfs/dbraw/zinc/35/10/50/204351050.db2.gz FUQPLBVFVIASKI-UHFFFAOYSA-N 0 0 302.338 0.194 50 0 DCAARN COC(=O)c1ccc2c(c1)ncn(CC(=O)N1CCCC1)c2=O ZINC000010682791 181676754 /nfs/dbraw/zinc/67/67/54/181676754.db2.gz AUZKKPTYDJQLLM-UHFFFAOYSA-N 0 0 315.329 0.806 50 0 DCAARN CCONC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 ZINC000013000694 181820617 /nfs/dbraw/zinc/82/06/17/181820617.db2.gz XTUIGMXZSOXVIT-UHFFFAOYSA-N 0 0 314.363 0.817 50 0 DCAARN Cn1nnc2c1ncnc2N1CCN(C(=O)C(C)(C)C)CC1 ZINC000013532375 181858866 /nfs/dbraw/zinc/85/88/66/181858866.db2.gz JNKUHEAXCKWVRQ-UHFFFAOYSA-N 0 0 303.370 0.453 50 0 DCAARN C[C@H](C(N)=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000014083233 181924343 /nfs/dbraw/zinc/92/43/43/181924343.db2.gz MYTDISHZPPWQHZ-LLVKDONJSA-N 0 0 311.407 0.303 50 0 DCAARN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000015400894 182000508 /nfs/dbraw/zinc/00/05/08/182000508.db2.gz JMMIPBCTCGEWEX-CHWSQXEVSA-N 0 0 317.455 0.259 50 0 DCAARN COc1coc(C(=O)Nc2nc(CC(N)=O)cs2)cc1=O ZINC000016850756 182061716 /nfs/dbraw/zinc/06/17/16/182061716.db2.gz LVHSCECOUNKOMG-UHFFFAOYSA-N 0 0 309.303 0.385 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N2CCOCC2)cc(C)c1C ZINC000016642797 182055685 /nfs/dbraw/zinc/05/56/85/182055685.db2.gz KOCUWPNRDORZFZ-UHFFFAOYSA-N 0 0 312.391 0.684 50 0 DCAARN CCSc1nnc2n1CCCN2C(=O)CN1CCOCC1 ZINC000017173082 182078730 /nfs/dbraw/zinc/07/87/30/182078730.db2.gz OZYRXIRIATWFOZ-UHFFFAOYSA-N 0 0 311.411 0.459 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)n[nH]1 ZINC000017637930 182085249 /nfs/dbraw/zinc/08/52/49/182085249.db2.gz RJVMLSLDEAFJDF-NSHDSACASA-N 0 0 305.359 0.994 50 0 DCAARN CCNC(=O)C(=O)NCCN1CCO[C@@H](c2ccccc2)C1 ZINC000017296711 182081474 /nfs/dbraw/zinc/08/14/74/182081474.db2.gz ACBMANPBQIJKDW-CQSZACIVSA-N 0 0 305.378 0.312 50 0 DCAARN CC(C)CCNC(=O)COC(=O)c1ccc(OCC(N)=O)cc1 ZINC000018821071 182102733 /nfs/dbraw/zinc/10/27/33/182102733.db2.gz HUORUOKAFHYMEK-UHFFFAOYSA-N 0 0 322.361 0.870 50 0 DCAARN C[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)cc1)n1cccn1 ZINC000019792646 182149989 /nfs/dbraw/zinc/14/99/89/182149989.db2.gz SKJNYWUCYVBVKS-JTQLQIEISA-N 0 0 308.363 0.408 50 0 DCAARN O=C(NC[C@@H]1COCCO1)[C@@H]1CC(=O)N(c2cccc(O)c2)C1 ZINC000019794918 182150150 /nfs/dbraw/zinc/15/01/50/182150150.db2.gz YQRSNYJIMQDTSQ-BXUZGUMPSA-N 0 0 320.345 0.277 50 0 DCAARN O=C(NC[C@H]1COCCO1)[C@@H]1CC(=O)N(c2cccc(O)c2)C1 ZINC000019794920 182150258 /nfs/dbraw/zinc/15/02/58/182150258.db2.gz YQRSNYJIMQDTSQ-RISCZKNCSA-N 0 0 320.345 0.277 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccco2)C1 ZINC000020038680 182182864 /nfs/dbraw/zinc/18/28/64/182182864.db2.gz SFRXREMQQXJPDT-NSHDSACASA-N 0 0 315.395 0.414 50 0 DCAARN O=C(CN1CCOC1=O)N1CCNC(=O)[C@@H]1c1cccc(F)c1 ZINC000020271803 182202148 /nfs/dbraw/zinc/20/21/48/182202148.db2.gz PLRNJHDNXKFSEE-ZDUSSCGKSA-N 0 0 321.308 0.277 50 0 DCAARN O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)NC1CC1 ZINC000020493963 182224614 /nfs/dbraw/zinc/22/46/14/182224614.db2.gz GUGRLHSACWJPMD-UHFFFAOYSA-N 0 0 317.389 0.812 50 0 DCAARN C[C@H](O)CNc1nc2nnnn2c2sc3c(c21)CCN(C)C3 ZINC000020503787 182225363 /nfs/dbraw/zinc/22/53/63/182225363.db2.gz RNVBWCHOSYBZJX-ZETCQYMHSA-N 0 0 319.394 0.515 50 0 DCAARN O=S1(=O)CC[C@@H](n2nc(C3CCOCC3)nc2CO)C1 ZINC000097717269 193750330 /nfs/dbraw/zinc/75/03/30/193750330.db2.gz FZJYRBNDIMHWGX-SNVBAGLBSA-N 0 0 301.368 0.024 50 0 DCAARN CC(C)NC(=O)Cn1ncn2nc(-c3ccco3)cc2c1=O ZINC000020901260 182252584 /nfs/dbraw/zinc/25/25/84/182252584.db2.gz RTQSKMUEXMLAFC-UHFFFAOYSA-N 0 0 301.306 0.676 50 0 DCAARN O=C(Cn1cccn1)N1CCN(Cc2ccccc2CO)CC1 ZINC000020859818 182250258 /nfs/dbraw/zinc/25/02/58/182250258.db2.gz XXWHBQQVTFPEEA-UHFFFAOYSA-N 0 0 314.389 0.720 50 0 DCAARN Cn1ncc2c1ncnc2N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000021132574 182266125 /nfs/dbraw/zinc/26/61/25/182266125.db2.gz YPZQMDULMRAUCV-LBPRGKRZSA-N 0 0 316.365 0.191 50 0 DCAARN O=C(NCc1ccccn1)c1cc(CN2CCOCC2)on1 ZINC000021540820 182280125 /nfs/dbraw/zinc/28/01/25/182280125.db2.gz IZMPPNHODKZHJX-UHFFFAOYSA-N 0 0 302.334 0.832 50 0 DCAARN COC(=O)N1CCN(Cc2nnnn2-c2ccc(C)cc2)CC1 ZINC000023134702 182350109 /nfs/dbraw/zinc/35/01/09/182350109.db2.gz SICZFGUXRYSQHQ-UHFFFAOYSA-N 0 0 316.365 0.855 50 0 DCAARN CN(CCN1CCOCC1)c1nccc(-c2cnn(C)c2)n1 ZINC000023398998 182359993 /nfs/dbraw/zinc/35/99/93/182359993.db2.gz HAQVAGKVBJVEJA-UHFFFAOYSA-N 0 0 302.382 0.646 50 0 DCAARN COc1ccc(COC[C@H](O)CN2CCN(C(C)=O)CC2)cc1 ZINC000023466399 182361388 /nfs/dbraw/zinc/36/13/88/182361388.db2.gz AZPUQEPXIQKQAN-MRXNPFEDSA-N 0 0 322.405 0.737 50 0 DCAARN C[C@H]1CN(CC(=O)Nc2ccccc2S(C)(=O)=O)CCO1 ZINC000024014113 182372502 /nfs/dbraw/zinc/37/25/02/182372502.db2.gz DHGYRTWJGWGDHU-NSHDSACASA-N 0 0 312.391 0.749 50 0 DCAARN COc1ccc(NC(=O)COC(=O)CN2C(=O)CCC2=O)cc1 ZINC000024792168 182391237 /nfs/dbraw/zinc/39/12/37/182391237.db2.gz CPXWQAHJFFKFLZ-UHFFFAOYSA-N 0 0 320.301 0.326 50 0 DCAARN C[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1 ZINC000024647666 182385975 /nfs/dbraw/zinc/38/59/75/182385975.db2.gz YXBCPQWPHYWMAX-LLVKDONJSA-N 0 0 311.407 0.779 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1sc(C)nc1C ZINC000025028201 182399681 /nfs/dbraw/zinc/39/96/81/182399681.db2.gz JGHLXLLEPDHFRD-VIFPVBQESA-N 0 0 311.363 0.264 50 0 DCAARN C[C@@H](c1c(F)cccc1F)N1CCN(S(N)(=O)=O)CC1 ZINC000071968823 296223043 /nfs/dbraw/zinc/22/30/43/296223043.db2.gz JVOILLKDWVQQIG-VIFPVBQESA-N 0 0 305.350 0.847 50 0 DCAARN CNC(=O)CN(C)S(=O)(=O)c1ccc(OCCOC)cc1 ZINC000027955680 182499861 /nfs/dbraw/zinc/49/98/61/182499861.db2.gz KSWVYWPLTAGHQV-UHFFFAOYSA-N 0 0 316.379 0.078 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC000028223355 182512693 /nfs/dbraw/zinc/51/26/93/182512693.db2.gz DLLCSBPBRHDOFU-IJLUTSLNSA-N 0 0 304.412 0.294 50 0 DCAARN O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CCS(=O)(=O)C1 ZINC000031034953 182605464 /nfs/dbraw/zinc/60/54/64/182605464.db2.gz AWCFCXSOECLSBY-JTQLQIEISA-N 0 0 312.347 0.402 50 0 DCAARN COc1cc(C(=O)NCCCNC(C)=O)cc2c1OCCO2 ZINC000031242531 182609659 /nfs/dbraw/zinc/60/96/59/182609659.db2.gz IJEUVINMAOHJRM-UHFFFAOYSA-N 0 0 308.334 0.722 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000032354775 182640695 /nfs/dbraw/zinc/64/06/95/182640695.db2.gz OFEHQGMTBXJWFC-UHFFFAOYSA-N 0 0 312.351 0.339 50 0 DCAARN CC[C@H]1CN(C(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)CCO1 ZINC000032356457 182640719 /nfs/dbraw/zinc/64/07/19/182640719.db2.gz NVADXSMGQUMCBD-NSHDSACASA-N 0 0 317.349 0.515 50 0 DCAARN COC(=O)CSc1nnnn1-c1cccc(NC(C)=O)c1 ZINC000032772309 182662539 /nfs/dbraw/zinc/66/25/39/182662539.db2.gz SRHAOEYWZQAAIL-UHFFFAOYSA-N 0 0 307.335 0.886 50 0 DCAARN CC(C)(C)NC(=O)Cn1nc(C(=O)N2CCCC2)ccc1=O ZINC000035527438 182779364 /nfs/dbraw/zinc/77/93/64/182779364.db2.gz NCAXXJGKEIIAKV-UHFFFAOYSA-N 0 0 306.366 0.394 50 0 DCAARN CC(C)CNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000036369854 182820065 /nfs/dbraw/zinc/82/00/65/182820065.db2.gz SODFUOTUCJOZDN-UHFFFAOYSA-N 0 0 316.361 0.285 50 0 biogenic DCAARN O=C(Cn1nc(-c2ccccc2F)ccc1=O)N1CCOCC1 ZINC000040284371 183050543 /nfs/dbraw/zinc/05/05/43/183050543.db2.gz QJMLDNYZVCWWHF-UHFFFAOYSA-N 0 0 317.320 0.908 50 0 DCAARN O=C(Nn1ccc2c(cnc3ccnn32)c1=O)c1ccncc1 ZINC000040387596 183060028 /nfs/dbraw/zinc/06/00/28/183060028.db2.gz WGFMJCICQMGBBE-UHFFFAOYSA-N 0 0 306.285 0.823 50 0 DCAARN CN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)Cc1ccco1 ZINC000040477279 183074738 /nfs/dbraw/zinc/07/47/38/183074738.db2.gz GDOKILJJBQXLPG-UHFFFAOYSA-N 0 0 318.333 0.361 50 0 DCAARN CC(C)n1ncc2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cnc21 ZINC000040479855 183076400 /nfs/dbraw/zinc/07/64/00/183076400.db2.gz CJGDTUDEHJNQLO-GFCCVEGCSA-N 0 0 322.390 0.929 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000040480873 183076882 /nfs/dbraw/zinc/07/68/82/183076882.db2.gz XRRXWOXTBBNZPZ-CYBMUJFWSA-N 0 0 324.402 0.342 50 0 DCAARN COc1cccc(C(N)=O)c1OCC(=O)N1CCO[C@H](C)C1 ZINC000040479590 183076890 /nfs/dbraw/zinc/07/68/90/183076890.db2.gz RLQHFAAIWXIRQH-SNVBAGLBSA-N 0 0 308.334 0.420 50 0 DCAARN O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000040480618 183077088 /nfs/dbraw/zinc/07/70/88/183077088.db2.gz VZORCFVLTOVOQC-KBPBESRZSA-N 0 0 301.350 0.752 50 0 DCAARN O=C(C1CCN(Cc2nnnn2C2CC2)CC1)N1CCCC1 ZINC000040494065 183080518 /nfs/dbraw/zinc/08/05/18/183080518.db2.gz LSUIZZGFEXTRHM-UHFFFAOYSA-N 0 0 304.398 0.842 50 0 DCAARN CN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000040506249 183085384 /nfs/dbraw/zinc/08/53/84/183085384.db2.gz QKXHBXGXJPZXRF-NEPJUHHUSA-N 0 0 304.346 0.763 50 0 DCAARN CC[C@@](C)(CNC(=O)CN1CCSC1=O)N1CCOCC1 ZINC000040515338 183088813 /nfs/dbraw/zinc/08/88/13/183088813.db2.gz DQFPZFKTQZQONM-AWEZNQCLSA-N 0 0 315.439 0.772 50 0 DCAARN O=C(Cn1ncc2ccccc2c1=O)N[C@@H]1CCCCNC1=O ZINC000040521911 183090604 /nfs/dbraw/zinc/09/06/04/183090604.db2.gz WLUCYEYWHUYFAA-CYBMUJFWSA-N 0 0 314.345 0.181 50 0 DCAARN C[C@H](C(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1)n1cccn1 ZINC000040520995 183090982 /nfs/dbraw/zinc/09/09/82/183090982.db2.gz QPJAJKFOCYWIJB-RBSFLKMASA-N 0 0 322.409 0.298 50 0 DCAARN C[C@@H](CN1CCOCC1)NS(=O)(=O)N1CCCCCC1 ZINC000040528173 183093453 /nfs/dbraw/zinc/09/34/53/183093453.db2.gz DUYOXDSOVRCMMF-ZDUSSCGKSA-N 0 0 305.444 0.418 50 0 DCAARN COc1ccc(CNC(=O)[C@H](C)OC(=O)[C@@H](C)NC(C)=O)cc1 ZINC000040456752 183069396 /nfs/dbraw/zinc/06/93/96/183069396.db2.gz BDPSMDWITVPGRC-MNOVXSKESA-N 0 0 322.361 0.768 50 0 DCAARN O=C(CN1CCSCC1)NC[C@H]1COc2ccccc2O1 ZINC000040540645 183096950 /nfs/dbraw/zinc/09/69/50/183096950.db2.gz VNLMZYFNOXXIIG-LBPRGKRZSA-N 0 0 308.403 0.991 50 0 DCAARN Cc1noc(COC(=O)Cn2c3ccccc3[nH]c(=O)c2=O)n1 ZINC000040549153 183099877 /nfs/dbraw/zinc/09/98/77/183099877.db2.gz DAWDPTNFMJSDLG-UHFFFAOYSA-N 0 0 316.273 0.125 50 0 DCAARN COc1ccc(F)cc1[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC000040553664 183100928 /nfs/dbraw/zinc/10/09/28/183100928.db2.gz XAWVLAUEKXNOGN-SECBINFHSA-N 0 0 318.370 0.903 50 0 DCAARN CCCCc1noc([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 ZINC000040714757 183122339 /nfs/dbraw/zinc/12/23/39/183122339.db2.gz MZWVCCGYLNALOF-LLVKDONJSA-N 0 0 319.369 0.805 50 0 DCAARN CC(C)Cc1noc([C@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 ZINC000040714813 183122808 /nfs/dbraw/zinc/12/28/08/183122808.db2.gz PQJIOMQGULGXHC-NSHDSACASA-N 0 0 319.369 0.661 50 0 DCAARN CCCCNC(=O)Cn1nc(C(=O)N2CCCC2)ccc1=O ZINC000041255592 183181328 /nfs/dbraw/zinc/18/13/28/183181328.db2.gz UATANZRGHFUIFI-UHFFFAOYSA-N 0 0 306.366 0.396 50 0 DCAARN COc1ccc(C)cc1S(=O)(=O)NCCS(C)(=O)=O ZINC000041351681 183186881 /nfs/dbraw/zinc/18/68/81/183186881.db2.gz PGERUMGGHQXWEZ-UHFFFAOYSA-N 0 0 307.393 0.327 50 0 DCAARN CS(=O)(=O)c1ccccc1C(=O)NCCCn1cncn1 ZINC000041862445 183222726 /nfs/dbraw/zinc/22/27/26/183222726.db2.gz GPYGRYSEUMTCQZ-UHFFFAOYSA-N 0 0 308.363 0.502 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000041653016 183213950 /nfs/dbraw/zinc/21/39/50/183213950.db2.gz ZNOPAYYTMOYVAX-SNVBAGLBSA-N 0 0 322.390 0.717 50 0 DCAARN O=S(=O)(NCc1nnc2n1CCCCC2)N1CCCCC1 ZINC000042674983 183295500 /nfs/dbraw/zinc/29/55/00/183295500.db2.gz KOMYBLHNJLNQBG-UHFFFAOYSA-N 0 0 313.427 0.825 50 0 DCAARN NC(=O)C1(CNC(=O)NCc2ccccc2F)CCOCC1 ZINC000043075066 183334535 /nfs/dbraw/zinc/33/45/35/183334535.db2.gz ZFQYVEGJPPYNDV-UHFFFAOYSA-N 0 0 309.341 0.907 50 0 DCAARN CC(=O)N[C@H](C(=O)NC[C@@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000044722191 183435303 /nfs/dbraw/zinc/43/53/03/183435303.db2.gz AVZVDYMLVJZXSE-AAEUAGOBSA-N 0 0 316.423 0.232 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)Nc1cnc2ccccc2c1 ZINC000044936792 183461039 /nfs/dbraw/zinc/46/10/39/183461039.db2.gz VNXGZUUNFJBDOQ-UHFFFAOYSA-N 0 0 319.386 0.904 50 0 DCAARN Cc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n(C)n1 ZINC000046015858 183543508 /nfs/dbraw/zinc/54/35/08/183543508.db2.gz GUTIKXSBGAGNRT-UHFFFAOYSA-N 0 0 300.384 0.339 50 0 DCAARN CC(=O)N1CCC(C(=O)NCCNC(=O)c2cccs2)CC1 ZINC000046200485 183557674 /nfs/dbraw/zinc/55/76/74/183557674.db2.gz ZUEMYPWWROJZNW-UHFFFAOYSA-N 0 0 323.418 0.853 50 0 DCAARN O=C(NCc1ccc(Cn2cncn2)cc1)[C@H]1CCC(=O)NC1 ZINC000047798881 183605131 /nfs/dbraw/zinc/60/51/31/183605131.db2.gz XJEAPEOMSVHYML-AWEZNQCLSA-N 0 0 313.361 0.469 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)C[C@@H](C)O1 ZINC000106068997 194184397 /nfs/dbraw/zinc/18/43/97/194184397.db2.gz OSCMAHQUCZEZOV-JHJVBQTASA-N 0 0 318.439 0.841 50 0 DCAARN COC(=O)CNC(=O)Cc1ccc(NC(=O)NC2CC2)cc1 ZINC000048158657 183623978 /nfs/dbraw/zinc/62/39/78/183623978.db2.gz LLMUYOFYKWUEIN-UHFFFAOYSA-N 0 0 305.334 0.802 50 0 DCAARN COc1ccc(CN2CCN3CCN(C)C(=O)[C@@H]3C2)cc1F ZINC000106706713 194245589 /nfs/dbraw/zinc/24/55/89/194245589.db2.gz IJUMJEBLXFANDV-AWEZNQCLSA-N 0 0 307.369 0.793 50 0 DCAARN O=C(NCc1cccc(Cn2cncn2)c1)c1ccc[nH]c1=O ZINC000053842156 183914021 /nfs/dbraw/zinc/91/40/21/183914021.db2.gz FQEQFFPJZFZRNX-UHFFFAOYSA-N 0 0 309.329 0.945 50 0 DCAARN Cc1cccc2c1ncn(CC(=O)N1CC[C@H](C(N)=O)C1)c2=O ZINC000053893117 183915104 /nfs/dbraw/zinc/91/51/04/183915104.db2.gz DNGKOKFDAZJLDT-NSHDSACASA-N 0 0 314.345 0.039 50 0 DCAARN O=C1CCC(=O)N1c1nc2n(n1)[C@@H](c1ccccc1)CC(=O)N2 ZINC000013127776 296315741 /nfs/dbraw/zinc/31/57/41/296315741.db2.gz PUFPBOBOSCOBPR-SNVBAGLBSA-N 0 0 311.301 0.863 50 0 DCAARN CCOC(=O)C1CCN(Cc2cnnn2-c2nonc2N)CC1 ZINC000054969057 183955719 /nfs/dbraw/zinc/95/57/19/183955719.db2.gz UKPCXEUXUSAGPK-UHFFFAOYSA-N 0 0 321.341 0.008 50 0 DCAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N1CCNC(=O)C1 ZINC000057024625 184025194 /nfs/dbraw/zinc/02/51/94/184025194.db2.gz PHRYDPRHEMMGEE-ZIAGYGMSSA-N 0 0 303.406 0.944 50 0 DCAARN Cc1nccn1-c1ncccc1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000057222136 184030175 /nfs/dbraw/zinc/03/01/75/184030175.db2.gz LUKZWUYNWNJUEG-NSHDSACASA-N 0 0 320.374 0.949 50 0 DCAARN CC1CCN(C(=O)c2cc(OCC(=O)N(C)C)n(C)n2)CC1 ZINC000057312700 184032920 /nfs/dbraw/zinc/03/29/20/184032920.db2.gz CPPZOVHOJHHMLD-UHFFFAOYSA-N 0 0 308.382 0.759 50 0 DCAARN CC[C@@H](C)NC(=O)c1cc(OCC(=O)N2CCOCC2)n(C)n1 ZINC000057312517 184033119 /nfs/dbraw/zinc/03/31/19/184033119.db2.gz YDDAQOLZYVOCCL-LLVKDONJSA-N 0 0 324.381 0.186 50 0 DCAARN C[C@@H](NC(=O)NCCNC(=O)c1ccc(F)cc1)C(=O)N(C)C ZINC000056835137 184020347 /nfs/dbraw/zinc/02/03/47/184020347.db2.gz OGHVHBFTFITHCB-SNVBAGLBSA-N 0 0 324.356 0.331 50 0 DCAARN Cc1nc(-c2ncccn2)sc1C(=O)NCc1nncn1C ZINC000056872112 184020499 /nfs/dbraw/zinc/02/04/99/184020499.db2.gz WMOGJMODYHWYLP-UHFFFAOYSA-N 0 0 315.362 0.967 50 0 DCAARN CCOC(=O)CNC(=O)CSc1nc2cc(C)[nH]c2c(=O)[nH]1 ZINC000057522174 184040955 /nfs/dbraw/zinc/04/09/55/184040955.db2.gz SRTDHARMALPLIH-UHFFFAOYSA-N 0 0 324.362 0.743 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000057763639 184052247 /nfs/dbraw/zinc/05/22/47/184052247.db2.gz PJHIDXULXXALTI-UHFFFAOYSA-N 0 0 305.382 0.227 50 0 DCAARN CCn1c(C)cc(C(=O)Cn2nc(C(N)=O)ccc2=O)c1C ZINC000058244716 184094001 /nfs/dbraw/zinc/09/40/01/184094001.db2.gz XHIPPKXWAINKBB-UHFFFAOYSA-N 0 0 302.334 0.663 50 0 DCAARN Cn1ccc(NC(=O)c2nc(S(C)(=O)=O)n3ccccc23)n1 ZINC000058294275 184102136 /nfs/dbraw/zinc/10/21/36/184102136.db2.gz AGTBTHIRQFTVLA-UHFFFAOYSA-N 0 0 319.346 0.724 50 0 DCAARN C[C@H]1CCCN(C(=O)COC(=O)CN(C)c2ncccn2)C1 ZINC000058761954 184128177 /nfs/dbraw/zinc/12/81/77/184128177.db2.gz PUCMSQIPTAYPRY-LBPRGKRZSA-N 0 0 306.366 0.715 50 0 DCAARN COCCNC(=O)CNCc1c(C(C)C)nn(C)c1N(C)C ZINC000058420007 184116004 /nfs/dbraw/zinc/11/60/04/184116004.db2.gz FBJYSGPYMWKBJJ-UHFFFAOYSA-N 0 0 311.430 0.462 50 0 DCAARN Cn1c2c(ccn2CC(=O)Nc2ccccc2)c(=O)n(C)c1=O ZINC000065031018 184308910 /nfs/dbraw/zinc/30/89/10/184308910.db2.gz XNZXQAJAAHMJLK-UHFFFAOYSA-N 0 0 312.329 0.677 50 0 DCAARN Cc1nnc2c(=O)n(CC(=O)NC(C)(C)C)c3cccnc3n12 ZINC000065172962 184313663 /nfs/dbraw/zinc/31/36/63/184313663.db2.gz XYUIXHDEYUJDML-UHFFFAOYSA-N 0 0 314.349 0.662 50 0 DCAARN COC(=O)[C@@H]1C[C@H](NC(=O)CCc2scnc2C)CN1C ZINC000065371776 184330092 /nfs/dbraw/zinc/33/00/92/184330092.db2.gz NFCATKTZBYKCQA-QWRGUYRKSA-N 0 0 311.407 0.746 50 0 DCAARN COC[C@H](O)CN(C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000065428659 184343569 /nfs/dbraw/zinc/34/35/69/184343569.db2.gz LTVRFZFOMBHABP-CYBMUJFWSA-N 0 0 324.377 0.649 50 0 DCAARN COc1ccc(CN2CCN(S(N)(=O)=O)CC2)cc1OC ZINC000065457269 184347822 /nfs/dbraw/zinc/34/78/22/184347822.db2.gz CZXKRQTZIJMHHD-UHFFFAOYSA-N 0 0 315.395 0.025 50 0 DCAARN CC(=O)c1cc(CC(=O)N2CCN3CCNC(=O)[C@H]3C2)cs1 ZINC000065463938 184349291 /nfs/dbraw/zinc/34/92/91/184349291.db2.gz ZNVOVCKTFSMGDH-GFCCVEGCSA-N 0 0 321.402 0.136 50 0 DCAARN CCN(Cc1nccn1C)C(=O)C[C@H]1C(=O)NCCN1C(C)C ZINC000065395318 184335510 /nfs/dbraw/zinc/33/55/10/184335510.db2.gz DOXXIFIEXOYLII-ZDUSSCGKSA-N 0 0 321.425 0.368 50 0 DCAARN CC(C)[C@@H](CNC(=O)N[C@H](C)Cn1ccnc1)N1CCOCC1 ZINC000065399560 184336393 /nfs/dbraw/zinc/33/63/93/184336393.db2.gz RCNJRXSCGTYODO-HUUCEWRRSA-N 0 0 323.441 0.928 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC000065608680 184372672 /nfs/dbraw/zinc/37/26/72/184372672.db2.gz FUJYGNYEJPYGOS-LBPRGKRZSA-N 0 0 321.377 0.131 50 0 DCAARN COc1ccc(CCNC(=O)CN2CCN(C(N)=O)CC2)cc1 ZINC000065506989 184356810 /nfs/dbraw/zinc/35/68/10/184356810.db2.gz VBKNTVVTJKUCJX-UHFFFAOYSA-N 0 0 320.393 0.050 50 0 DCAARN Cc1ccc(OC[C@H](C)NC(=O)CCNS(C)(=O)=O)cc1 ZINC000065626228 184375528 /nfs/dbraw/zinc/37/55/28/184375528.db2.gz OOSAUPWFZDVSOA-LBPRGKRZSA-N 0 0 314.407 0.818 50 0 DCAARN CN(C)C(=O)[C@H]1CSCN1C(=O)CCOCC(F)(F)F ZINC000066649672 184420881 /nfs/dbraw/zinc/42/08/81/184420881.db2.gz GLNWHYXGBSDIGV-MRVPVSSYSA-N 0 0 314.329 0.945 50 0 DCAARN CC(C)[C@@H](CO)NC(=O)c1cc(CN2CCC(O)CC2)on1 ZINC000067740511 184483957 /nfs/dbraw/zinc/48/39/57/184483957.db2.gz PKPVXKIPCMGFBU-CQSZACIVSA-N 0 0 311.382 0.378 50 0 DCAARN O=C1CN(Cc2ccc3c(c2)OCO3)C(=O)[C@@H]2C[C@H](O)CCN12 ZINC000065403994 296335028 /nfs/dbraw/zinc/33/50/28/296335028.db2.gz PDWIQIZTGHOPMY-NEPJUHHUSA-N 0 0 318.329 0.109 50 0 DCAARN O=C(CN1CCNC(=O)[C@H]1c1cccs1)NC[C@@H]1CCCO1 ZINC000333298868 252703545 /nfs/dbraw/zinc/70/35/45/252703545.db2.gz MBUNONNCZYAQKU-SMDDNHRTSA-N 0 0 323.418 0.516 50 0 DCAARN CCOCCn1c(=O)c2c(ncc(C)c2OCC)n(C)c1=O ZINC000009571643 256524284 /nfs/dbraw/zinc/52/42/84/256524284.db2.gz HPJHEPAGWJSHLV-UHFFFAOYSA-N 0 0 307.350 0.839 50 0 DCAARN CCn1ncnc1CN1CCN(c2ncccc2C(N)=O)CC1 ZINC000193419487 256591948 /nfs/dbraw/zinc/59/19/48/256591948.db2.gz ZGCVFXWPZWMWNW-UHFFFAOYSA-N 0 0 315.381 0.114 50 0 DCAARN Cc1cnc(C(=O)N2CCN(Cc3nccn3C)CC2)cn1 ZINC000106032573 257273046 /nfs/dbraw/zinc/27/30/46/257273046.db2.gz XUXCCGWXBGROOL-UHFFFAOYSA-N 0 0 300.366 0.477 50 0 DCAARN C[C@@H]1C[C@H]1C(=O)N1CC(CS(=O)(=O)NCc2ccccn2)C1 ZINC000521398241 257240153 /nfs/dbraw/zinc/24/01/53/257240153.db2.gz FZKIKLCNDMHYOL-BXUZGUMPSA-N 0 0 323.418 0.615 50 0 DCAARN COCCc1nnc(SCCN2C[C@@H](C)O[C@H](C)C2)n1N ZINC000521395173 257241042 /nfs/dbraw/zinc/24/10/42/257241042.db2.gz UEKIAJNJXFJYER-GHMZBOCLSA-N 0 0 315.443 0.382 50 0 DCAARN CCc1cnc(-c2ccc(C(=O)NC[C@H](O)CO)cc2)nc1 ZINC000426739734 257243567 /nfs/dbraw/zinc/24/35/67/257243567.db2.gz KNDMKKMPCZXAKM-AWEZNQCLSA-N 0 0 301.346 0.789 50 0 DCAARN CN1CC(=O)N(CC(=O)NCCc2nc3ccccc3o2)C1=O ZINC000426712147 257243709 /nfs/dbraw/zinc/24/37/09/257243709.db2.gz NRMUPCBRXHVCOD-UHFFFAOYSA-N 0 0 316.317 0.381 50 0 DCAARN Cc1nnnn1Cc1ccc(C(=O)NCC2(C)COC2)cc1 ZINC000426550332 257246729 /nfs/dbraw/zinc/24/67/29/257246729.db2.gz ABZIAKDCHZWWIB-UHFFFAOYSA-N 0 0 301.350 0.796 50 0 DCAARN COCc1nc(C)c(CNC(=O)[C@H]2CCS(=O)(=O)C2)s1 ZINC000426538493 257246812 /nfs/dbraw/zinc/24/68/12/257246812.db2.gz ZVHHYFLKMDHULE-VIFPVBQESA-N 0 0 318.420 0.649 50 0 DCAARN CN1CC(=O)N(CC(=O)N2CC[C@@H]2c2ccc(F)cc2)C1=O ZINC000426518462 257247378 /nfs/dbraw/zinc/24/73/78/257247378.db2.gz ZRDQDUSHRFZGFW-GFCCVEGCSA-N 0 0 305.309 0.993 50 0 DCAARN CN(Cc1noc2c1CCCC2)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000426518703 257247849 /nfs/dbraw/zinc/24/78/49/257247849.db2.gz FVVPHDKEFIKWJM-JTQLQIEISA-N 0 0 312.391 0.947 50 0 DCAARN Cc1nccn1[C@@H](C)CC(=O)NCCS(=O)(=O)N(C)C ZINC000426477855 257249156 /nfs/dbraw/zinc/24/91/56/257249156.db2.gz GDIOYQAEBSRACR-JTQLQIEISA-N 0 0 302.400 0.150 50 0 DCAARN Cc1nccn1[C@H](C)CC(=O)NCCS(=O)(=O)N(C)C ZINC000426477856 257249456 /nfs/dbraw/zinc/24/94/56/257249456.db2.gz GDIOYQAEBSRACR-SNVBAGLBSA-N 0 0 302.400 0.150 50 0 DCAARN CN1C(=O)COc2ccc(C(=O)NCc3cc(=O)[nH]cn3)cc21 ZINC000426488542 257249629 /nfs/dbraw/zinc/24/96/29/257249629.db2.gz VEBBRYWTXVCUDF-UHFFFAOYSA-N 0 0 314.301 0.467 50 0 DCAARN CC(=O)N1CCN(C(=O)NCCc2ccc(C)o2)C[C@@H](O)C1 ZINC000426399274 257251014 /nfs/dbraw/zinc/25/10/14/257251014.db2.gz SJSSVLPFRUBPMM-ZDUSSCGKSA-N 0 0 309.366 0.365 50 0 DCAARN O=C(NCCCN1CCOCC1)N1CCC[C@@H](c2ncon2)C1 ZINC000426409273 257251536 /nfs/dbraw/zinc/25/15/36/257251536.db2.gz HJGHZUMTBOLOBA-CYBMUJFWSA-N 0 0 323.397 0.681 50 0 DCAARN CN1C[C@@H](C(=O)NCCc2nc(-c3ccccn3)no2)CC1=O ZINC000426377924 257252302 /nfs/dbraw/zinc/25/23/02/257252302.db2.gz HHIAFMKEWWSWSX-JTQLQIEISA-N 0 0 315.333 0.269 50 0 DCAARN Cc1cnn(CCC(=O)N2CCN(c3cnccn3)CC2)c1 ZINC000071819839 184852193 /nfs/dbraw/zinc/85/21/93/184852193.db2.gz VOSLQRMBCRZSOI-UHFFFAOYSA-N 0 0 300.366 0.720 50 0 DCAARN CCN(C)C(=O)[C@H]1CSCN1C(=O)CCc1cnn(C)c1 ZINC000069593438 184819822 /nfs/dbraw/zinc/81/98/22/184819822.db2.gz IUDYKTYNSOUFCD-GFCCVEGCSA-N 0 0 310.423 0.733 50 0 DCAARN CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(C)nc2)CC1 ZINC000069593875 184820736 /nfs/dbraw/zinc/82/07/36/184820736.db2.gz OJFDZPFMCXHCBF-UHFFFAOYSA-N 0 0 318.377 0.201 50 0 DCAARN Cc1ccccc1-n1cc(C(=O)NCCCS(N)(=O)=O)cn1 ZINC000069696102 184836967 /nfs/dbraw/zinc/83/69/67/184836967.db2.gz WOYIBXPSVLKDIL-UHFFFAOYSA-N 0 0 322.390 0.589 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)NCc1ccccc1C ZINC000071892891 184891486 /nfs/dbraw/zinc/89/14/86/184891486.db2.gz LIHNVPSDRZBRKA-KGLIPLIRSA-N 0 0 306.362 0.219 50 0 DCAARN COc1ccc2oc(CNC(=O)CN3CCOCC3)nc2c1 ZINC000299788465 533356476 /nfs/dbraw/zinc/35/64/76/533356476.db2.gz POMLSOIGWKNVFN-UHFFFAOYSA-N 0 0 305.334 0.785 50 0 DCAARN CO[C@]12CCN(C(=O)c3cnc(N)nc3C)[C@H]1C[C@H](O)CC2 ZINC000299800528 533383833 /nfs/dbraw/zinc/38/38/33/533383833.db2.gz TVPPCBGQBTTXQO-IFUGULHKSA-N 0 0 306.366 0.512 50 0 DCAARN COC(=O)CNC(=O)[C@@H]1CSCCN1C(=O)OC(C)(C)C ZINC000390834934 533529103 /nfs/dbraw/zinc/52/91/03/533529103.db2.gz TVFOAFQVKJHVKG-VIFPVBQESA-N 0 0 318.395 0.628 50 0 DCAARN C[C@H]1NC(C(=O)Nc2cnn(C)c2)=NN(c2ccccc2)C1=O ZINC000025310204 134662792 /nfs/dbraw/zinc/66/27/92/134662792.db2.gz FLHIWOHMRMUOGJ-SNVBAGLBSA-N 0 0 312.333 0.697 50 0 DCAARN COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000008277319 395684268 /nfs/dbraw/zinc/68/42/68/395684268.db2.gz FPRFKZFXVDBLPR-ZETCQYMHSA-N 0 0 321.301 0.974 50 0 DCAARN C[C@@H](On1nnc2ccc(Cl)cc21)C(=O)N1CCOCC1 ZINC000008776815 395684923 /nfs/dbraw/zinc/68/49/23/395684923.db2.gz WBQYBPBVYIRPQQ-SECBINFHSA-N 0 0 310.741 0.761 50 0 DCAARN C[C@H](O)CN1CC2=C(C1=O)[C@H](c1ccc(O)cc1)NC(=O)N2 ZINC000008878064 395685073 /nfs/dbraw/zinc/68/50/73/395685073.db2.gz FUHWWPOKRWUWRI-SDBXPKJASA-N 0 0 303.318 0.223 50 0 DCAARN CC(C)C[C@@H]([NH3+])C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000008971725 395685098 /nfs/dbraw/zinc/68/50/98/395685098.db2.gz HOFBKIOPHRQWQM-CMPLNLGQSA-N 0 0 313.398 0.188 50 0 DCAARN C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCNC1=O ZINC000009218272 395685229 /nfs/dbraw/zinc/68/52/29/395685229.db2.gz VOESXXHEDFZJOO-VIFPVBQESA-N 0 0 320.301 0.555 50 0 DCAARN COc1ccc(CNC(=O)CN2C(=O)N[C@@H](C(C)C)C2=O)cc1 ZINC000009315175 395685260 /nfs/dbraw/zinc/68/52/60/395685260.db2.gz HYNQLRJJIFYQGK-AWEZNQCLSA-N 0 0 319.361 0.888 50 0 DCAARN CS(=O)(=O)c1ccc(-c2nnc(SCC(N)=O)o2)cc1 ZINC000009764095 395685660 /nfs/dbraw/zinc/68/56/60/395685660.db2.gz JVCMZALZRXOWIC-UHFFFAOYSA-N 0 0 313.360 0.718 50 0 DCAARN COc1ccccc1C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000010418649 395686083 /nfs/dbraw/zinc/68/60/83/395686083.db2.gz HEWXENSCDJFPRO-UHFFFAOYSA-N 0 0 312.391 0.849 50 0 DCAARN CCCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000010662569 395686134 /nfs/dbraw/zinc/68/61/34/395686134.db2.gz OCLYZNGHPCQEKF-UHFFFAOYSA-N 0 0 315.395 0.924 50 0 DCAARN Cc1cc(NC(=O)CCn2nnn(-c3ccccc3)c2=O)no1 ZINC000011751270 395686799 /nfs/dbraw/zinc/68/67/99/395686799.db2.gz JBVSPCTYOUCLFK-UHFFFAOYSA-N 0 0 314.305 0.754 50 0 DCAARN CN(Cc1ccsc1)C(=O)Cn1nnnc1CN1CCCC1 ZINC000011874742 395686993 /nfs/dbraw/zinc/68/69/93/395686993.db2.gz SPDAIBAPNSNEEZ-UHFFFAOYSA-N 0 0 320.422 0.989 50 0 DCAARN O=C1C2=C(CN1CCCO)NC(=O)N[C@@H]2c1cccc(F)c1 ZINC000012113439 395687160 /nfs/dbraw/zinc/68/71/60/395687160.db2.gz VZBNIRLYWMYWLI-CYBMUJFWSA-N 0 0 305.309 0.658 50 0 DCAARN CN(C)c1ncc2c(n1)CCC[C@H]2NC(=O)Cn1cncn1 ZINC000012193008 395687216 /nfs/dbraw/zinc/68/72/16/395687216.db2.gz FFPXVUCTVBOFFW-LLVKDONJSA-N 0 0 301.354 0.328 50 0 DCAARN CCn1c(SCC(=O)NC)nnc1-c1cn(C)nc1OC ZINC000012422641 395687560 /nfs/dbraw/zinc/68/75/60/395687560.db2.gz SXCCPFFVHUAEEV-UHFFFAOYSA-N 0 0 310.383 0.545 50 0 DCAARN O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NC1CC1 ZINC000012389442 395687620 /nfs/dbraw/zinc/68/76/20/395687620.db2.gz XCYRZYNTUUDHET-NSHDSACASA-N 0 0 301.346 0.434 50 0 DCAARN O[C@@H]1CCCN(c2nc3nonc3nc2N2CCSCC2)C1 ZINC000012459587 395687796 /nfs/dbraw/zinc/68/77/96/395687796.db2.gz FPQIIEUOTILAEK-SECBINFHSA-N 0 0 322.394 0.527 50 0 DCAARN O=C(Cn1cnc2ccccc21)OCC(=O)N1CCOCC1 ZINC000012658942 395687864 /nfs/dbraw/zinc/68/78/64/395687864.db2.gz VIUWOGLNDDJSCF-UHFFFAOYSA-N 0 0 303.318 0.438 50 0 DCAARN NC(=O)NC(=O)CSc1ccc(C(=O)N2CCCC2)cn1 ZINC000012773039 395687962 /nfs/dbraw/zinc/68/79/62/395687962.db2.gz KDPHCFCHWMWQAU-UHFFFAOYSA-N 0 0 308.363 0.605 50 0 DCAARN COc1ccccc1[C@H](C)NCCS(=O)(=O)CCC(N)=O ZINC000012758798 395687969 /nfs/dbraw/zinc/68/79/69/395687969.db2.gz RLFSWQNHWAMKTB-NSHDSACASA-N 0 0 314.407 0.636 50 0 DCAARN O=C1OCC[C@H]1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012790402 395688030 /nfs/dbraw/zinc/68/80/30/395688030.db2.gz CWBMMDPDOIAHQE-CQSZACIVSA-N 0 0 324.402 0.450 50 0 DCAARN CNC(=O)C1CCN(Cn2nnc3ccccc3c2=O)CC1 ZINC000012934870 395688173 /nfs/dbraw/zinc/68/81/73/395688173.db2.gz VGSQOBVGOXMGRO-UHFFFAOYSA-N 0 0 301.350 0.207 50 0 DCAARN C[C@@H](c1ccccc1)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000012985257 395688325 /nfs/dbraw/zinc/68/83/25/395688325.db2.gz QJXCRKWVKDHAMG-GXTWGEPZSA-N 0 0 310.419 0.983 50 0 DCAARN COc1ccccc1NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000013323769 395688507 /nfs/dbraw/zinc/68/85/07/395688507.db2.gz RFDLLMBAXFPWNL-UHFFFAOYSA-N 0 0 313.379 0.804 50 0 DCAARN O=S(=O)(c1cccs1)[C@H]1CS(=O)(=O)C[C@@H]1NC1CC1 ZINC000013371050 395688605 /nfs/dbraw/zinc/68/86/05/395688605.db2.gz XDKSOKULXMAXIX-UWVGGRQHSA-N 0 0 321.445 0.439 50 0 DCAARN C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NC1CC1 ZINC000013552467 395688696 /nfs/dbraw/zinc/68/86/96/395688696.db2.gz PMDVWHBPVOHNTM-VIFPVBQESA-N 0 0 314.345 0.249 50 0 DCAARN CC[C@@H](C(=O)NCCOC)N(c1ccccc1)S(C)(=O)=O ZINC000013710990 395688824 /nfs/dbraw/zinc/68/88/24/395688824.db2.gz PJJSFCYFJHDSSI-ZDUSSCGKSA-N 0 0 314.407 0.994 50 0 DCAARN COC(=O)c1sccc1NC(=O)C(=O)N1CCN(C)CC1 ZINC000013685717 395688871 /nfs/dbraw/zinc/68/88/71/395688871.db2.gz SYBASZVHIZZLOU-UHFFFAOYSA-N 0 0 311.363 0.247 50 0 DCAARN CC[C@@]1(C)NC(=O)N(NC(=O)Cc2ccc(OC)cc2)C1=O ZINC000014085563 395689076 /nfs/dbraw/zinc/68/90/76/395689076.db2.gz JICBCVRMCIHQHC-OAHLLOKOSA-N 0 0 305.334 0.989 50 0 DCAARN CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 ZINC000014139940 395689173 /nfs/dbraw/zinc/68/91/73/395689173.db2.gz NXQISHRRQKPXTR-UHFFFAOYSA-N 0 0 312.391 0.766 50 0 DCAARN O=C(CNS(=O)(=O)c1ccc(F)c(F)c1)N1CCCC1 ZINC000014161761 395689239 /nfs/dbraw/zinc/68/92/39/395689239.db2.gz FEYFLNPZTQJNKV-UHFFFAOYSA-N 0 0 304.318 0.866 50 0 DCAARN COc1ccc(NC(=O)[C@H](C)N2CCNC(=O)C2)cc1OC ZINC000014930450 395689558 /nfs/dbraw/zinc/68/95/58/395689558.db2.gz JNZHLVGWDCSHHO-JTQLQIEISA-N 0 0 307.350 0.463 50 0 DCAARN CN(C)S(=O)(=O)c1cccc(NC(=O)C2=COCCO2)c1 ZINC000014907195 395689640 /nfs/dbraw/zinc/68/96/40/395689640.db2.gz BKXVCSKXIIASIB-UHFFFAOYSA-N 0 0 312.347 0.764 50 0 DCAARN Cc1cnc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000015013234 395689710 /nfs/dbraw/zinc/68/97/10/395689710.db2.gz IMEZLHZLIANIAS-UHFFFAOYSA-N 0 0 320.374 0.405 50 0 in-vitro DCAARN CC(=O)N[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1COC(C)(C)O1 ZINC000019877727 395691100 /nfs/dbraw/zinc/69/11/00/395691100.db2.gz ARBXTIYDTCGPSN-LZQZFOIKSA-N 0 0 301.339 0.519 50 0 DCAARN CN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000019795915 395691230 /nfs/dbraw/zinc/69/12/30/395691230.db2.gz BFPDKNUEBTWCBJ-RYUDHWBXSA-N 0 0 303.405 0.154 50 0 DCAARN O=C([O-])c1ccc(N2C(=O)C[C@H](SC3=[NH+]CCN3)C2=O)cc1 ZINC000022033212 395691778 /nfs/dbraw/zinc/69/17/78/395691778.db2.gz CAGWOHVYYJHHCQ-JTQLQIEISA-N 0 0 319.342 0.709 50 0 DCAARN COCc1cc(=O)[nH]c(N2CCN(c3ccccn3)CC2)n1 ZINC000022448371 395691860 /nfs/dbraw/zinc/69/18/60/395691860.db2.gz FHZKQXSZCMWJFY-UHFFFAOYSA-N 0 0 301.350 0.638 50 0 DCAARN O=C(NC1CCCC1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000023882982 395692587 /nfs/dbraw/zinc/69/25/87/395692587.db2.gz AJZHHSGLIBOAGU-UHFFFAOYSA-N 0 0 315.381 0.795 50 0 DCAARN CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccccn2)CC1 ZINC000023623905 395692592 /nfs/dbraw/zinc/69/25/92/395692592.db2.gz WOOBCKDCEOKMFK-GFCCVEGCSA-N 0 0 305.382 0.438 50 0 DCAARN Cc1ccc(C(=O)NC(=S)Nc2c[nH]c(=O)[nH]c2=O)cc1 ZINC000000054016 395679662 /nfs/dbraw/zinc/67/96/62/395679662.db2.gz PTDCJXPLLPSCQH-UHFFFAOYSA-N 0 0 304.331 0.498 50 0 DCAARN Cn1c(SCc2ccccn2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000084170 395679763 /nfs/dbraw/zinc/67/97/63/395679763.db2.gz ZUKPSLOIJJNDAO-UHFFFAOYSA-N 0 0 317.374 0.658 50 0 biogenic DCAARN COC(=O)Cc1c(C(=O)OC)nnn1-c1ccc(OC)cc1 ZINC000000167556 395679920 /nfs/dbraw/zinc/67/99/20/395679920.db2.gz HRKZOCVXWPNZBZ-UHFFFAOYSA-N 0 0 305.290 0.778 50 0 DCAARN CC(=O)Nc1nnc(SCC(=O)NC[C@H]2CCCO2)s1 ZINC000000308218 395680188 /nfs/dbraw/zinc/68/01/88/395680188.db2.gz JENKGRCPWNRCGO-MRVPVSSYSA-N 0 0 316.408 0.884 50 0 DCAARN COC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000000379922 395680346 /nfs/dbraw/zinc/68/03/46/395680346.db2.gz NATDBDITJDBGGI-UHFFFAOYSA-N 0 0 303.336 0.643 50 0 DCAARN O=C(Cn1c(=O)[nH]c2ccsc2c1=O)NCc1ccco1 ZINC000000423002 395680380 /nfs/dbraw/zinc/68/03/80/395680380.db2.gz WBEQAMXZNVITAM-UHFFFAOYSA-N 0 0 305.315 0.661 50 0 DCAARN COC(=O)[C@H]1CC(=O)NN(C(=O)CSc2ccccn2)C1 ZINC000001393318 395680753 /nfs/dbraw/zinc/68/07/53/395680753.db2.gz IOJRVHOPKFVGKM-VIFPVBQESA-N 0 0 309.347 0.226 50 0 DCAARN CC1(C)O[C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@@H](O)[C@H]2O1 ZINC000001319246 395680757 /nfs/dbraw/zinc/68/07/57/395680757.db2.gz HEIRVZOWRJGLTR-FTQJZPFOSA-N 0 0 324.329 0.442 50 0 DCAARN NC(=O)C1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1 ZINC000002633377 395681629 /nfs/dbraw/zinc/68/16/29/395681629.db2.gz NESORPOUQJPKQF-UHFFFAOYSA-N 0 0 307.325 0.279 50 0 DCAARN O=C(CN1C(=O)N[C@@H](c2ccc(F)cc2)C1=O)N1CCOCC1 ZINC000002632953 395681702 /nfs/dbraw/zinc/68/17/02/395681702.db2.gz HSAGGPSSBHWPRN-ZDUSSCGKSA-N 0 0 321.308 0.277 50 0 DCAARN O=C(NCCO)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000002997666 395682013 /nfs/dbraw/zinc/68/20/13/395682013.db2.gz ACAPQDXDVCPBJD-UHFFFAOYSA-N 0 0 312.391 0.196 50 0 DCAARN COCCNC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000002958230 395682061 /nfs/dbraw/zinc/68/20/61/395682061.db2.gz UOJCJJMPRUCOIT-UHFFFAOYSA-N 0 0 314.407 0.832 50 0 DCAARN COCCNC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000002966110 395682079 /nfs/dbraw/zinc/68/20/79/395682079.db2.gz HRPBJIHQZSBDMJ-UHFFFAOYSA-N 0 0 316.379 0.224 50 0 DCAARN CCOC(=O)c1cc([C@@](O)(C(=O)OC)C(F)(F)F)c(N)o1 ZINC000003198848 395682246 /nfs/dbraw/zinc/68/22/46/395682246.db2.gz YGQRKPRANRIUFL-SNVBAGLBSA-N 0 0 311.212 0.961 50 0 DCAARN COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)NC(C)(C)C ZINC000004106669 395682548 /nfs/dbraw/zinc/68/25/48/395682548.db2.gz JDKJHAIDSWRPEG-JGVFFNPUSA-N 0 0 304.368 0.584 50 0 DCAARN COC(=O)[C@@]1(O)C(=C(C)O)C(=O)C(=O)N1c1ccc(C)cc1 ZINC000005387261 395682797 /nfs/dbraw/zinc/68/27/97/395682797.db2.gz ZZKQQQCPFSKKJX-HNNXBMFYSA-N 0 0 305.286 0.604 50 0 DCAARN O=S(=O)(C1CC1)N1CCN(C[C@H](O)c2cccs2)CC1 ZINC000085467272 395701050 /nfs/dbraw/zinc/70/10/50/395701050.db2.gz PIOLGYBNWKRCCE-LBPRGKRZSA-N 0 0 316.448 0.891 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1cc(F)cc(F)c1 ZINC000030159810 395701978 /nfs/dbraw/zinc/70/19/78/395701978.db2.gz JNQHMQUYCMXDFJ-UHFFFAOYSA-N 0 0 323.299 0.899 50 0 DCAARN CC[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NC)c2)CCO1 ZINC000030853319 395704326 /nfs/dbraw/zinc/70/43/26/395704326.db2.gz LVNHRXQQOHMQMV-GFCCVEGCSA-N 0 0 312.391 0.846 50 0 DCAARN CCOC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000036657860 395723848 /nfs/dbraw/zinc/72/38/48/395723848.db2.gz CEBVKUBLLUOKOF-UHFFFAOYSA-N 0 0 312.347 0.728 50 0 DCAARN O=C(N1CCCN(C(=O)C2(O)CCCC2)CC1)C1(O)CCCC1 ZINC000086588457 395705160 /nfs/dbraw/zinc/70/51/60/395705160.db2.gz CODWFKXISDUSMM-UHFFFAOYSA-N 0 0 324.421 0.658 50 0 DCAARN CCc1nnc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)o1 ZINC000089296280 395710160 /nfs/dbraw/zinc/71/01/60/395710160.db2.gz OFGWJWSUPJSHBX-UHFFFAOYSA-N 0 0 323.316 0.971 50 0 DCAARN CN1C[C@H](C(=O)NCc2cccnc2N2CCOCC2)CC1=O ZINC000032355242 395710254 /nfs/dbraw/zinc/71/02/54/395710254.db2.gz OVFDDRGISUMONM-CYBMUJFWSA-N 0 0 318.377 0.013 50 0 DCAARN COCc1nn(CC(=O)N(C)Cc2ccc(F)cc2)c(=O)o1 ZINC000089355835 395710465 /nfs/dbraw/zinc/71/04/65/395710465.db2.gz FORKSDJSZHWTSB-UHFFFAOYSA-N 0 0 309.297 0.780 50 0 DCAARN CN(C)c1ccc(C(=O)N2CCN(c3cnccn3)CC2)cn1 ZINC000032370460 395710660 /nfs/dbraw/zinc/71/06/60/395710660.db2.gz VYRNTYOZLFXTMV-UHFFFAOYSA-N 0 0 312.377 0.900 50 0 DCAARN O=C(NC1CC1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000032655684 395711942 /nfs/dbraw/zinc/71/19/42/395711942.db2.gz ZLGWWDXTBQXKDQ-UHFFFAOYSA-N 0 0 310.375 0.600 50 0 DCAARN Cn1ncc(C(=O)NCCCN2CCCC2=O)c1-n1cccc1 ZINC000032645309 395711972 /nfs/dbraw/zinc/71/19/72/395711972.db2.gz ODZRPMBKMJGILQ-UHFFFAOYSA-N 0 0 315.377 0.953 50 0 DCAARN CC(=O)NCCNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000032736282 395712690 /nfs/dbraw/zinc/71/26/90/395712690.db2.gz YQMKFIUWTKPKNV-UHFFFAOYSA-N 0 0 317.345 0.202 50 0 DCAARN CCOC(=O)c1csc(NC(=O)Cn2cnc(C)cc2=O)n1 ZINC000036703723 395724232 /nfs/dbraw/zinc/72/42/32/395724232.db2.gz OOYPAXXLWGZJEF-UHFFFAOYSA-N 0 0 322.346 0.824 50 0 DCAARN CC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000032776134 395713192 /nfs/dbraw/zinc/71/31/92/395713192.db2.gz QJMYSPDRANPZME-ONGXEEELSA-N 0 0 309.322 0.864 50 0 DCAARN CN(C(=O)c1cc(=O)[nH]c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000032780633 395713406 /nfs/dbraw/zinc/71/34/06/395713406.db2.gz ZQOKQWSGAGVFEK-SNVBAGLBSA-N 0 0 320.370 0.787 50 0 DCAARN CCc1noc(CN2CCN(C(=O)c3ccccn3)CC2)n1 ZINC000032804104 395713708 /nfs/dbraw/zinc/71/37/08/395713708.db2.gz VSQMLGLSFMVRGH-UHFFFAOYSA-N 0 0 301.350 0.985 50 0 DCAARN CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000089662486 395713892 /nfs/dbraw/zinc/71/38/92/395713892.db2.gz XUAROYMBWWDSCZ-GHMZBOCLSA-N 0 0 320.411 0.009 50 0 DCAARN CS(=O)(=O)CCC(=O)OCC(=O)N1CCc2ccccc21 ZINC000032831429 395714173 /nfs/dbraw/zinc/71/41/73/395714173.db2.gz GANXWYXCIXTPPP-UHFFFAOYSA-N 0 0 311.359 0.554 50 0 DCAARN O=C(Nc1cccnc1N1CCSCC1)[C@H]1CNC(=O)N1 ZINC000089773300 395714865 /nfs/dbraw/zinc/71/48/65/395714865.db2.gz DOVUXAPUTPAZDQ-SNVBAGLBSA-N 0 0 307.379 0.255 50 0 DCAARN Cc1cccc(C(=O)NCCC(=O)N2CCC(C(N)=O)CC2)c1 ZINC000033002161 395715650 /nfs/dbraw/zinc/71/56/50/395715650.db2.gz RYHDOEWHAAXRRV-UHFFFAOYSA-N 0 0 317.389 0.839 50 0 DCAARN Cc1nc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)no1 ZINC000033328265 395716946 /nfs/dbraw/zinc/71/69/46/395716946.db2.gz ZPXXAMYAZWUDQD-UHFFFAOYSA-N 0 0 314.301 0.681 50 0 DCAARN O=C(CN1CCN(c2ncccn2)CC1)NCc1ccccc1 ZINC000034858982 395718037 /nfs/dbraw/zinc/71/80/37/395718037.db2.gz JEMTWDLGKLDSJI-UHFFFAOYSA-N 0 0 311.389 0.915 50 0 DCAARN CCOC(=O)c1nnc2n(c1=O)CCN2c1ccc(OC)cc1 ZINC000034936022 395718503 /nfs/dbraw/zinc/71/85/03/395718503.db2.gz BTUBCOSAVKMXTN-UHFFFAOYSA-N 0 0 316.317 0.975 50 0 DCAARN O=C(c1ccc(=O)[nH]c1)N1CCC(Oc2cnccn2)CC1 ZINC000090677849 395719514 /nfs/dbraw/zinc/71/95/14/395719514.db2.gz TUXLSTRBEJPFIN-UHFFFAOYSA-N 0 0 300.318 0.849 50 0 DCAARN Cc1nn(C)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000035804719 395721924 /nfs/dbraw/zinc/72/19/24/395721924.db2.gz FZQXBGWRSPHLQV-UHFFFAOYSA-N 0 0 321.406 0.634 50 0 DCAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)OC)C2=O)cc1 ZINC000036037322 395721937 /nfs/dbraw/zinc/72/19/37/395721937.db2.gz IQZIORONRIWCHW-HNNXBMFYSA-N 0 0 321.333 0.482 50 0 DCAARN Cc1ccccc1C(=O)c1c(CN(C)C)n(C)c(=O)n(C)c1=O ZINC000036354001 395723404 /nfs/dbraw/zinc/72/34/04/395723404.db2.gz YKLRGPCKXNLLLU-UHFFFAOYSA-N 0 0 315.373 0.685 50 0 DCAARN CC(C)(C)C(=O)N1CCC(NC(=O)c2nccnc2N)CC1 ZINC000036391082 395723464 /nfs/dbraw/zinc/72/34/64/395723464.db2.gz OIKNOXNAXLLXEJ-UHFFFAOYSA-N 0 0 305.382 0.826 50 0 DCAARN CN(C)S(=O)(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000027948565 395695438 /nfs/dbraw/zinc/69/54/38/395695438.db2.gz UBWXZDGFHDUIIE-UHFFFAOYSA-N 0 0 305.444 0.418 50 0 DCAARN COCCCn1c(=O)[nH]nc1S[C@@H]1CCCCNC1=O ZINC000028266658 395695946 /nfs/dbraw/zinc/69/59/46/395695946.db2.gz KRSMXQDBMJYUOQ-SECBINFHSA-N 0 0 300.384 0.369 50 0 DCAARN O=C(CN1CCNC(=O)C1)Nc1ccnn1Cc1ccccc1 ZINC000028932876 395696624 /nfs/dbraw/zinc/69/66/24/395696624.db2.gz DYPWZBFJXAYZPW-UHFFFAOYSA-N 0 0 313.361 0.302 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@H]1CCCc2ccccc21 ZINC000029109116 395697054 /nfs/dbraw/zinc/69/70/54/395697054.db2.gz VLXFHHJOLFAYMB-ZDUSSCGKSA-N 0 0 313.357 0.773 50 0 DCAARN C[C@H](NC(=O)NC(C(N)=O)C(N)=O)c1ccc2c(c1)CCCC2 ZINC000029331762 395697537 /nfs/dbraw/zinc/69/75/37/395697537.db2.gz USIBWDATFOVIDX-VIFPVBQESA-N 0 0 318.377 0.265 50 0 DCAARN CN(CC(N)=O)S(=O)(=O)c1cccc(Br)c1 ZINC000037408610 395726794 /nfs/dbraw/zinc/72/67/94/395726794.db2.gz PJIBINHXNDQNNN-UHFFFAOYSA-N 0 0 307.169 0.555 50 0 DCAARN COc1ccc(CCNC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000037502811 395727907 /nfs/dbraw/zinc/72/79/07/395727907.db2.gz PSZYKLXDDARACM-UHFFFAOYSA-N 0 0 319.361 0.684 50 0 DCAARN Nc1c(NCCN2CCOCC2)ncnc1N1CCCCC1 ZINC000040724937 395734721 /nfs/dbraw/zinc/73/47/21/395734721.db2.gz UMTFCOIZPZVOBZ-UHFFFAOYSA-N 0 0 306.414 0.793 50 0 DCAARN Cc1csc(SCC(=O)N2CC[C@@](C)(O)[C@@H](O)C2)n1 ZINC000096164347 395746623 /nfs/dbraw/zinc/74/66/23/395746623.db2.gz RFYSCKZIXOJMAQ-JOYOIKCWSA-N 0 0 302.421 0.888 50 0 DCAARN O=S(=O)(N1CCCCC1)N1CCN(c2nccs2)CC1 ZINC000042677251 395747726 /nfs/dbraw/zinc/74/77/26/395747726.db2.gz CIJURCMSRGLGEL-UHFFFAOYSA-N 0 0 316.452 0.996 50 0 DCAARN Cc1cc(C(=O)NCCC(=O)Nc2nnc(C)s2)n(C)n1 ZINC000096192429 395748500 /nfs/dbraw/zinc/74/85/00/395748500.db2.gz TWTPMOXPAVXKOH-UHFFFAOYSA-N 0 0 308.367 0.647 50 0 DCAARN O=C(NCCn1nc(-n2cncn2)ccc1=O)c1ccsc1 ZINC000096097954 395744426 /nfs/dbraw/zinc/74/44/26/395744426.db2.gz KGPJQGQEBVIEAL-UHFFFAOYSA-N 0 0 316.346 0.316 50 0 DCAARN C[C@@]1(O)CCN(C(=O)c2cccc(-n3cnnc3)c2)C[C@@H]1O ZINC000096131168 395745513 /nfs/dbraw/zinc/74/55/13/395745513.db2.gz FJLQBMRVGMJONN-DZGCQCFKSA-N 0 0 302.334 0.225 50 0 DCAARN CCNC(=O)[C@@H]1C[C@H](NC(=O)c2nc(C)c[nH]2)CN1CC1CC1 ZINC000096136594 395745617 /nfs/dbraw/zinc/74/56/17/395745617.db2.gz GCONGKBSXQAJAB-STQMWFEESA-N 0 0 319.409 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/nfs/dbraw/zinc/75/95/93/395759593.db2.gz SLRQOPZFTFLEFW-GFCCVEGCSA-N 0 0 312.391 0.293 50 0 DCAARN Nc1ncccc1CN1CCN(C(=O)c2ccco2)C[C@@H](O)C1 ZINC000097698708 395760088 /nfs/dbraw/zinc/76/00/88/395760088.db2.gz UZJSAISBXWMZEO-ZDUSSCGKSA-N 0 0 316.361 0.576 50 0 DCAARN CCn1cnnc1CNC(=O)CN1C(=O)COc2ccccc21 ZINC000044942275 395760325 /nfs/dbraw/zinc/76/03/25/395760325.db2.gz RCGBRFUGDKGSOJ-UHFFFAOYSA-N 0 0 315.333 0.340 50 0 DCAARN O=C([O-])[C@H]1C[NH2+]CCN(C(=O)CC2Cc3ccccc3C2)C1 ZINC000097744608 395760346 /nfs/dbraw/zinc/76/03/46/395760346.db2.gz UFSRBHUKECQCLS-HNNXBMFYSA-N 0 0 302.374 0.924 50 0 DCAARN c1cc(-c2nc([C@H]3CCOC3)nn2-c2ccc3nncn3n2)n[nH]1 ZINC000097742900 395760519 /nfs/dbraw/zinc/76/05/19/395760519.db2.gz BEIQGQQTZNKCIN-VIFPVBQESA-N 0 0 323.320 0.599 50 0 DCAARN Cn1ccc(C(=O)N2CCN(Cc3cccnc3)CC2)cc1=O ZINC000045056974 395761032 /nfs/dbraw/zinc/76/10/32/395761032.db2.gz DOAJWMQPFYTFRG-UHFFFAOYSA-N 0 0 312.373 0.738 50 0 DCAARN C[C@@H](C(=O)NCc1cccnc1N1CCOCC1)n1cccn1 ZINC000045076405 395761466 /nfs/dbraw/zinc/76/14/66/395761466.db2.gz WSIUXRXDLVEVRX-ZDUSSCGKSA-N 0 0 315.377 0.992 50 0 DCAARN COC(=O)/C=c1/s/c(=C/C(=O)Nc2ccc(C)cc2)[nH]c1=O ZINC000101392321 395764298 /nfs/dbraw/zinc/76/42/98/395764298.db2.gz KWDKDDCGCLZTOO-ZHSLHGDYSA-N 0 0 318.354 0.118 50 0 DCAARN O=C(NCCc1cccc(F)c1)[C@H]1[C@@H]2C[N@H+](C[C@@H](O)CO)C[C@@H]21 ZINC000102267876 395769616 /nfs/dbraw/zinc/76/96/16/395769616.db2.gz UUPIHNSLYZVDLF-WCVJEAGWSA-N 0 0 322.380 0.015 50 0 DCAARN CN1C[C@@H](C(=O)NCCc2ccc3c(c2)OCCO3)CC1=O ZINC000046141791 395770975 /nfs/dbraw/zinc/77/09/75/395770975.db2.gz UOZZWZTXPUVDOC-LBPRGKRZSA-N 0 0 304.346 0.595 50 0 DCAARN O=C(Cn1ccccc1=O)NCCNC(=O)c1cccs1 ZINC000046202111 395772737 /nfs/dbraw/zinc/77/27/37/395772737.db2.gz VCBODAYSTQADOK-UHFFFAOYSA-N 0 0 305.359 0.456 50 0 DCAARN CCN1C[C@@H](C(=O)NCCNC(=O)c2ccccc2)CC1=O ZINC000046196054 395772776 /nfs/dbraw/zinc/77/27/76/395772776.db2.gz SDDDGCGAOKRZDD-ZDUSSCGKSA-N 0 0 303.362 0.401 50 0 DCAARN 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0 DCAARN COc1ccc(O[C@@H]2CCN(C(=O)c3cnccn3)C2)nn1 ZINC000225436275 395859722 /nfs/dbraw/zinc/85/97/22/395859722.db2.gz DWCIAQFEFPWQTJ-SNVBAGLBSA-N 0 0 301.306 0.569 50 0 DCAARN O=C(Cc1ccccc1Cl)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000225482137 395860572 /nfs/dbraw/zinc/86/05/72/395860572.db2.gz PDFQHUZGQOJUEF-CHWSQXEVSA-N 0 0 308.765 0.998 50 0 DCAARN Cc1cc(=O)[nH]c(SCC(=O)N[C@H]2CC(=O)N(C(C)C)C2)n1 ZINC000219025843 395843520 /nfs/dbraw/zinc/84/35/20/395843520.db2.gz DOZJSYBWHWYEQZ-JTQLQIEISA-N 0 0 324.406 0.296 50 0 DCAARN O=C(N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1)c1nnc[nH]1 ZINC000218850285 395844036 /nfs/dbraw/zinc/84/40/36/395844036.db2.gz IOSIOYBADJWIDF-YIZWMMSDSA-N 0 0 314.345 0.982 50 0 DCAARN O=C(COC[C@H]1CCCCO1)NCCSc1c[nH]nn1 ZINC000219152357 395844731 /nfs/dbraw/zinc/84/47/31/395844731.db2.gz MNGOZKYXPZWZGN-SNVBAGLBSA-N 0 0 300.384 0.599 50 0 DCAARN NC(=O)[C@H]1CCCN(C(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000225477451 395860701 /nfs/dbraw/zinc/86/07/01/395860701.db2.gz 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395796069 /nfs/dbraw/zinc/79/60/69/395796069.db2.gz YDPNKSGLXDZMLR-JTQLQIEISA-N 0 0 303.409 0.480 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000053891003 395890299 /nfs/dbraw/zinc/89/02/99/395890299.db2.gz USPMDIMLXJZNMN-JTQLQIEISA-N 0 0 314.345 0.190 50 0 DCAARN CNC(=O)[C@@H]1CCCN1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000055017995 395910122 /nfs/dbraw/zinc/91/01/22/395910122.db2.gz REYIPPRUPPNHGW-IHRRRGAJSA-N 0 0 309.410 0.367 50 0 DCAARN CC(=O)N1CCC[C@H](C(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000055230710 395914153 /nfs/dbraw/zinc/91/41/53/395914153.db2.gz QNKTYEQBTFIYNG-AWEZNQCLSA-N 0 0 317.393 0.384 50 0 DCAARN Cc1cc(C)n(CCC(=O)N[C@H](C)Cc2cnccn2)c(=O)n1 ZINC000055270536 395915595 /nfs/dbraw/zinc/91/55/95/395915595.db2.gz RCJUMYZMZMWICH-GFCCVEGCSA-N 0 0 315.377 0.788 50 0 DCAARN O=c1[nH]ccn2c(CNS(=O)(=O)c3ccccc3)nnc12 ZINC000238940794 395923189 /nfs/dbraw/zinc/92/31/89/395923189.db2.gz VYQMVKLZCVUWAP-UHFFFAOYSA-N 0 0 305.319 0.308 50 0 DCAARN O=C(CCN1CCCO1)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 ZINC000244874189 395925651 /nfs/dbraw/zinc/92/56/51/395925651.db2.gz WWGDKJHEKDTCHT-XHSDSOJGSA-N 0 0 319.405 0.907 50 0 DCAARN CCN(CC)S(=O)(=O)NC1CCN(c2ncccn2)CC1 ZINC000056059031 395926019 /nfs/dbraw/zinc/92/60/19/395926019.db2.gz LEOCBXAKSVZMEW-UHFFFAOYSA-N 0 0 313.427 0.622 50 0 DCAARN O=C(NCCN1Cc2ccccc2OCC1=O)C1CCOCC1 ZINC000244998690 395926836 /nfs/dbraw/zinc/92/68/36/395926836.db2.gz KPQZTORFFOBKOB-UHFFFAOYSA-N 0 0 318.373 0.950 50 0 DCAARN COc1ccccc1CC(=O)N1CC(N2C(=O)COC2=O)C1 ZINC000244909758 395926992 /nfs/dbraw/zinc/92/69/92/395926992.db2.gz AUAHRHUXGVNFHN-UHFFFAOYSA-N 0 0 304.302 0.427 50 0 DCAARN CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000225688322 395862260 /nfs/dbraw/zinc/86/22/60/395862260.db2.gz HXCIQAJYWNVKPT-UHFFFAOYSA-N 0 0 307.350 0.105 50 0 DCAARN O=C1COC(=O)N1[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000225703307 395862538 /nfs/dbraw/zinc/86/25/38/395862538.db2.gz XDTCGMMIEPBHRU-QMMMGPOBSA-N 0 0 316.360 0.490 50 0 DCAARN CC(C)NC(=O)NC(=O)[C@@H](C)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000052774037 395869463 /nfs/dbraw/zinc/86/94/63/395869463.db2.gz FQKUDENHALUURL-MRVPVSSYSA-N 0 0 305.338 0.891 50 0 DCAARN CC[C@H](C)[C@H](CO)NC(=O)Cn1cnc2ccsc2c1=O ZINC000230216758 395879443 /nfs/dbraw/zinc/87/94/43/395879443.db2.gz IYHLHGAGAYQRLN-ONGXEEELSA-N 0 0 309.391 0.981 50 0 DCAARN Cc1cc(CN2CCN(C(=O)NC[C@H]3CCCO3)CC2)no1 ZINC000053507181 395885175 /nfs/dbraw/zinc/88/51/75/395885175.db2.gz VNDJIERXWNTJTE-CQSZACIVSA-N 0 0 308.382 0.989 50 0 DCAARN COc1ccnc(N2CCN(C(=O)CCn3cccn3)CC2)n1 ZINC000057253978 395941489 /nfs/dbraw/zinc/94/14/89/395941489.db2.gz CVGDLODKKWIWSC-UHFFFAOYSA-N 0 0 316.365 0.421 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)on1 ZINC000057935181 395950368 /nfs/dbraw/zinc/95/03/68/395950368.db2.gz CLABKZZKNMVDOB-GFCCVEGCSA-N 0 0 316.365 0.922 50 0 DCAARN O=C(CNC(=O)[C@@H]1CCCO1)N1CCN(c2ccccn2)CC1 ZINC000065212687 395991364 /nfs/dbraw/zinc/99/13/64/395991364.db2.gz IMVAFUDLBHLFMX-ZDUSSCGKSA-N 0 0 318.377 0.025 50 0 DCAARN COCCNC(=O)c1nc2c(cnn2C)c(N2CCCCC2)n1 ZINC000065257144 395991469 /nfs/dbraw/zinc/99/14/69/395991469.db2.gz SIAACWNTTHNSNK-UHFFFAOYSA-N 0 0 318.381 0.730 50 0 DCAARN COCCNC(=O)N(C)[C@@H]1CCN(c2nccnc2OC)C1 ZINC000065269038 395992459 /nfs/dbraw/zinc/99/24/59/395992459.db2.gz ABPKNRDSFXUTQP-LLVKDONJSA-N 0 0 309.370 0.352 50 0 DCAARN CCN1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000065439797 395993356 /nfs/dbraw/zinc/99/33/56/395993356.db2.gz ZTKZLHFQNLZZLM-AWEZNQCLSA-N 0 0 318.425 0.793 50 0 DCAARN COc1cc(NCCN2CCN(c3ncccn3)CC2)ncn1 ZINC000065426744 395993391 /nfs/dbraw/zinc/99/33/91/395993391.db2.gz WAIMBIMFQAIGLU-UHFFFAOYSA-N 0 0 315.381 0.509 50 0 DCAARN CO[C@H](C)CS(=O)(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000252511326 396022438 /nfs/dbraw/zinc/02/24/38/396022438.db2.gz ZYODJWBJLZCTMR-SNVBAGLBSA-N 0 0 313.379 0.993 50 0 DCAARN COC[C@@H]1CN(S(=O)(=O)c2cccc(C)c2)C[C@H]1C(N)=O ZINC000253410882 396026768 /nfs/dbraw/zinc/02/67/68/396026768.db2.gz NXDKBTFGVJPNPB-WCQYABFASA-N 0 0 312.391 0.363 50 0 DCAARN COc1cccc(CN2C[C@@H](CO)[C@H](NC(=O)C3CC3)C2)n1 ZINC000253407678 396027298 /nfs/dbraw/zinc/02/72/98/396027298.db2.gz KBDQISFDXYVUKQ-GXTWGEPZSA-N 0 0 305.378 0.409 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)c2cccc(OC)c2)C[C@H]1COC ZINC000253413608 396027711 /nfs/dbraw/zinc/02/77/11/396027711.db2.gz VFMYOSNDQRTFPE-GXTWGEPZSA-N 0 0 306.362 0.776 50 0 DCAARN CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cccnc1 ZINC000253471281 396028579 /nfs/dbraw/zinc/02/85/79/396028579.db2.gz OPXINKDBLJAJMZ-SNVBAGLBSA-N 0 0 318.333 0.211 50 0 DCAARN O=C(CN1CCOCC1=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000253431728 396028763 /nfs/dbraw/zinc/02/87/63/396028763.db2.gz UDEFOSNJGHUPMM-HNNXBMFYSA-N 0 0 317.389 0.948 50 0 DCAARN Cn1nccc1CCC(=O)N[C@H]1C[C@@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000253535576 396029495 /nfs/dbraw/zinc/02/94/95/396029495.db2.gz GMVYBYYRHNKRCW-AOOOYVTPSA-N 0 0 316.365 0.493 50 0 DCAARN Cn1c(=O)[nH]c(=O)c2nc(C[C@@H](O)c3cccs3)c(=O)[nH]c21 ZINC000253536257 396029647 /nfs/dbraw/zinc/02/96/47/396029647.db2.gz NZOYLEJLGFXCQM-SSDOTTSWSA-N 0 0 320.330 0.472 50 0 DCAARN CC(=O)N1CCc2nnc([C@H]3CCN(C(=O)C(C)C)C3)n2CC1 ZINC000257183369 396034024 /nfs/dbraw/zinc/03/40/24/396034024.db2.gz HLUYSJVKZUIHLX-ZDUSSCGKSA-N 0 0 319.409 0.655 50 0 DCAARN COc1ccc(C(=O)N2CCOCCNC(=O)CC2)c(OC)c1 ZINC000257192265 396034766 /nfs/dbraw/zinc/03/47/66/396034766.db2.gz QMDYDQVMODFAEK-UHFFFAOYSA-N 0 0 322.361 0.683 50 0 DCAARN C[C@H](Oc1ccccc1)C(=O)N1CCOCCNC(=O)CC1 ZINC000257196174 396035986 /nfs/dbraw/zinc/03/59/86/396035986.db2.gz XSTIKRJJBTXDLR-ZDUSSCGKSA-N 0 0 306.362 0.819 50 0 DCAARN CCc1cnc(CN(C(C)=O)[C@@H]2CCN([C@H]3CCOC3=O)C2)o1 ZINC000257365950 396047218 /nfs/dbraw/zinc/04/72/18/396047218.db2.gz CXWGGNKRUDIKNM-OCCSQVGLSA-N 0 0 321.377 0.975 50 0 DCAARN CCCCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000069041816 396068418 /nfs/dbraw/zinc/06/84/18/396068418.db2.gz JTEYQZJDOPPHSC-UHFFFAOYSA-N 0 0 305.444 0.595 50 0 DCAARN CCOC(=O)[C@@]1(COC)CCCN(C(=O)N[C@H]2CCOC2)C1 ZINC000252485282 396021162 /nfs/dbraw/zinc/02/11/62/396021162.db2.gz GQBSEKWCSSPSEG-WFASDCNBSA-N 0 0 314.382 0.777 50 0 DCAARN CC1(C)NC(=O)N(CC(=O)NCCCOc2ccccc2)C1=O ZINC000069741712 396089486 /nfs/dbraw/zinc/08/94/86/396089486.db2.gz NNHYPALATKGQAA-UHFFFAOYSA-N 0 0 319.361 0.902 50 0 DCAARN CC(C)n1c(S[C@@H](C)C(=O)NC(N)=O)nnc1N(C)C ZINC000069778101 396090544 /nfs/dbraw/zinc/09/05/44/396090544.db2.gz LRMKXFDSTQWQGP-ZETCQYMHSA-N 0 0 300.388 0.601 50 0 DCAARN C[C@H]1CCc2c(sc(=O)n2Cc2nc(N)nc(N(C)C)n2)C1 ZINC000069815850 396090953 /nfs/dbraw/zinc/09/09/53/396090953.db2.gz GAKAGZHXLLNYMS-QMMMGPOBSA-N 0 0 320.422 0.916 50 0 DCAARN O[C@H](CN1CCN(c2ccc3nncn3n2)CC1)c1ccccc1 ZINC000069814833 396091228 /nfs/dbraw/zinc/09/12/28/396091228.db2.gz NGPRODABSJMFNR-OAHLLOKOSA-N 0 0 324.388 0.980 50 0 DCAARN Cc1noc([C@@H]2CN(C(=O)c3ccsc3)C[C@H]2C(N)=O)n1 ZINC000169791120 396093376 /nfs/dbraw/zinc/09/33/76/396093376.db2.gz HJMAFDOLKJADHD-NXEZZACHSA-N 0 0 306.347 0.781 50 0 DCAARN O=C(NCc1ccc(F)cc1)N[C@H]1CCc2n[nH]c(=O)n2CC1 ZINC000169790493 396093409 /nfs/dbraw/zinc/09/34/09/396093409.db2.gz HTUKJWMSRYMDKS-LBPRGKRZSA-N 0 0 319.340 0.915 50 0 DCAARN Cn1nc2n(c1=O)CCN(C(=O)c1ccc3ncccc3c1)CC2 ZINC000169790052 396093416 /nfs/dbraw/zinc/09/34/16/396093416.db2.gz ZLIQXYPDMJVDMA-UHFFFAOYSA-N 0 0 323.356 0.829 50 0 DCAARN CNC(=O)N1CCC([C@H]2CCN(C(=O)c3cn(C)cn3)C2)CC1 ZINC000169789077 396093484 /nfs/dbraw/zinc/09/34/84/396093484.db2.gz MINRPAJOZJFRGP-ZDUSSCGKSA-N 0 0 319.409 0.934 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(OC)nc2)CC1 ZINC000069920745 396094374 /nfs/dbraw/zinc/09/43/74/396094374.db2.gz PUTMERWOQYIUNY-AWEZNQCLSA-N 0 0 323.393 0.245 50 0 DCAARN CCO[C@H]1C[C@](NC(=O)CNC(=O)CC)(C(=O)OC)C1(C)C ZINC000170602650 396094959 /nfs/dbraw/zinc/09/49/59/396094959.db2.gz CCPMSFMNVVONCH-BONVTDFDSA-N 0 0 314.382 0.376 50 0 DCAARN Cc1noc([C@@H](C)N2CCN(Cc3cnn(CCO)c3)CC2)n1 ZINC000069950501 396096028 /nfs/dbraw/zinc/09/60/28/396096028.db2.gz LSUVTUHUWRFROC-GFCCVEGCSA-N 0 0 320.397 0.446 50 0 DCAARN COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CO)cn1 ZINC000070666501 396102752 /nfs/dbraw/zinc/10/27/52/396102752.db2.gz VBYYDCONWJYXFT-UHFFFAOYSA-N 0 0 319.317 0.392 50 0 biogenic DCAARN C[C@H](NC(=O)C(=O)NCC1(O)CCOCC1)c1ccccc1 ZINC000070638989 396102948 /nfs/dbraw/zinc/10/29/48/396102948.db2.gz BWBKWTSHYDEQRP-LBPRGKRZSA-N 0 0 306.362 0.522 50 0 DCAARN Cc1cc(C)n(NC(=O)[C@H]2CCCCn3nnnc32)c(=O)c1 ZINC000071777008 396114637 /nfs/dbraw/zinc/11/46/37/396114637.db2.gz NPYFWUNHPLPZJE-NSHDSACASA-N 0 0 302.338 0.489 50 0 DCAARN NC(=O)CN(C(=O)Cn1c2ccccc2[nH]c1=O)C1CCCC1 ZINC000071821149 396116187 /nfs/dbraw/zinc/11/61/87/396116187.db2.gz PAJXWMXLMJNWPB-UHFFFAOYSA-N 0 0 316.361 0.586 50 0 DCAARN CC(=O)N1CCN(C(=O)CN(C)c2ccc(Cl)cn2)CC1 ZINC000071822621 396116731 /nfs/dbraw/zinc/11/67/31/396116731.db2.gz XJCGQILLZVYTSW-UHFFFAOYSA-N 0 0 310.785 0.862 50 0 DCAARN C[C@H](C(N)=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000071830911 396117717 /nfs/dbraw/zinc/11/77/17/396117717.db2.gz QGGCQEVMJNNXFV-LLVKDONJSA-N 0 0 309.797 0.901 50 0 DCAARN NC(=O)c1ccc(OCC(=O)N2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000071830318 396117856 /nfs/dbraw/zinc/11/78/56/396117856.db2.gz NLMNZXVTWLUTCB-ZIAGYGMSSA-N 0 0 304.346 0.944 50 0 DCAARN O=c1[nH]nc(S(=O)(=O)Cc2ccccc2)n1C[C@H]1CCCO1 ZINC000071857354 396119293 /nfs/dbraw/zinc/11/92/93/396119293.db2.gz OXBODVLMJXEUGD-GFCCVEGCSA-N 0 0 323.374 0.724 50 0 DCAARN c1cnnc(N2CCC[C@H]2CNCc2nnnn2C2CC2)c1 ZINC000071859899 396119388 /nfs/dbraw/zinc/11/93/88/396119388.db2.gz MDOBTLIBQNQLLM-LBPRGKRZSA-N 0 0 300.370 0.557 50 0 DCAARN Cc1ccn2ncc(C(=O)N3CCN(C[C@H](C)O)CC3)c2n1 ZINC000071871513 396120626 /nfs/dbraw/zinc/12/06/26/396120626.db2.gz AMRPBPCEJUYUMK-LBPRGKRZSA-N 0 0 303.366 0.176 50 0 DCAARN Cc1nn(C)c(Cl)c1CN1CCO[C@H](Cn2cncn2)C1 ZINC000072267547 396128127 /nfs/dbraw/zinc/12/81/27/396128127.db2.gz RACBEMYNCMUCRE-NSHDSACASA-N 0 0 310.789 0.874 50 0 DCAARN COCCn1cc(C(=O)N[C@H]2CCc3nccn3C2)ccc1=O ZINC000072278662 396129083 /nfs/dbraw/zinc/12/90/83/396129083.db2.gz XFKYQLZLDYSVLY-ZDUSSCGKSA-N 0 0 316.361 0.436 50 0 DCAARN O=C(C[C@H]1CCc2ccccc21)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000072290741 396129856 /nfs/dbraw/zinc/12/98/56/396129856.db2.gz LMYILKIKAJYZHT-SJKOYZFVSA-N 0 0 313.357 0.917 50 0 DCAARN CCOC(=O)CN(C[C@@H]1CCCO1)C(=O)c1cnc(C)cn1 ZINC000072297035 396130180 /nfs/dbraw/zinc/13/01/80/396130180.db2.gz CJKZXKSAMBSALF-LBPRGKRZSA-N 0 0 307.350 0.969 50 0 DCAARN COC(=O)Cn1ncc2c1ncnc2N(C)Cc1nnc(C)[nH]1 ZINC000072307711 396130712 /nfs/dbraw/zinc/13/07/12/396130712.db2.gz UDTWSSJQBPOSPF-UHFFFAOYSA-N 0 0 316.325 0.062 50 0 DCAARN CCc1nc([C@@H]2CCCN2C(=O)[C@H]2CCS(=O)(=O)C2)no1 ZINC000072299275 396130751 /nfs/dbraw/zinc/13/07/51/396130751.db2.gz ZDSKYNWEOITXLA-UWVGGRQHSA-N 0 0 313.379 0.730 50 0 DCAARN COCCCCNC(=O)c1nc(Br)cnc1N ZINC000072301545 396130762 /nfs/dbraw/zinc/13/07/62/396130762.db2.gz XWXVDAVOFOTGFV-UHFFFAOYSA-N 0 0 303.160 0.978 50 0 DCAARN N#Cc1ccnc(N2CCC[C@H](c3nn[nH]n3)C2)c1[N+](=O)[O-] ZINC000161007404 396075559 /nfs/dbraw/zinc/07/55/59/396075559.db2.gz BUUVMPIESKTPRD-VIFPVBQESA-N 0 0 300.282 0.759 50 0 DCAARN CC[C@H](C(N)=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000069349710 396075935 /nfs/dbraw/zinc/07/59/35/396075935.db2.gz PCQVQHSQEYCIGO-UONOGXRCSA-N 0 0 310.442 0.269 50 0 DCAARN C[C@H](C(=O)NCc1ccco1)N1CCO[C@H](Cn2cccn2)C1 ZINC000069418513 396077975 /nfs/dbraw/zinc/07/79/75/396077975.db2.gz FVURICPGMCLSMQ-HIFRSBDPSA-N 0 0 318.377 0.882 50 0 DCAARN C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)N2CCCCC2)C1=O ZINC000069433422 396078003 /nfs/dbraw/zinc/07/80/03/396078003.db2.gz LSZZIUBQWGZOHS-INIZCTEOSA-N 0 0 316.361 0.861 50 0 DCAARN Cc1cnn(C[C@H]2CN(CC(=O)NC3CCOCC3)CCO2)c1 ZINC000069421272 396078207 /nfs/dbraw/zinc/07/82/07/396078207.db2.gz AESKISXIHZJALQ-OAHLLOKOSA-N 0 0 322.409 0.188 50 0 DCAARN O=C(NCCN1C(=O)Cc2ccccc21)N1CCC[C@H](CO)C1 ZINC000069420881 396078331 /nfs/dbraw/zinc/07/83/31/396078331.db2.gz NTALZVPLHLXMJH-ZDUSSCGKSA-N 0 0 317.389 0.990 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCO[C@H](Cn3cccn3)C2)no1 ZINC000069454096 396078503 /nfs/dbraw/zinc/07/85/03/396078503.db2.gz ZNYKQTUSAOQICM-OLZOCXBDSA-N 0 0 319.365 0.908 50 0 DCAARN Cc1cnn(C[C@H]2CN(CCCN3CCCC3=O)CCO2)c1 ZINC000069452072 396078604 /nfs/dbraw/zinc/07/86/04/396078604.db2.gz ICECHNXBNZIAKL-OAHLLOKOSA-N 0 0 306.410 0.905 50 0 DCAARN C[C@H]1CN(C(=O)CN2CCCC[C@@H]2Cn2cncn2)CCO1 ZINC000069493044 396080188 /nfs/dbraw/zinc/08/01/88/396080188.db2.gz NOGBPFZHDFPSPO-UONOGXRCSA-N 0 0 307.398 0.380 50 0 DCAARN COc1ccnc(N2CCN(C(=O)c3ccnc(C)n3)CC2)n1 ZINC000069491312 396080468 /nfs/dbraw/zinc/08/04/68/396080468.db2.gz HFNMHABKSFYRMT-UHFFFAOYSA-N 0 0 314.349 0.546 50 0 DCAARN CC(C)c1cc(N[C@H](C)C(=O)N2CCOCC2)n2ncnc2n1 ZINC000069485376 396080542 /nfs/dbraw/zinc/08/05/42/396080542.db2.gz OLRQLYCMAPCLOD-LLVKDONJSA-N 0 0 318.381 0.907 50 0 DCAARN CCc1nnc2n1CCN(C(=O)Cn1nnc3ccccc31)C2 ZINC000069571156 396083497 /nfs/dbraw/zinc/08/34/97/396083497.db2.gz PSIOIEJFPALOOC-UHFFFAOYSA-N 0 0 311.349 0.628 50 0 DCAARN COCCN1CCN(CC(=O)Nc2ccnn2C(C)C)CC1 ZINC000069624338 396084680 /nfs/dbraw/zinc/08/46/80/396084680.db2.gz BQMPWCAEOYCMKZ-UHFFFAOYSA-N 0 0 309.414 0.667 50 0 DCAARN CCOC(=O)CN(C)C(=O)CN1CCN(c2ccccc2)CC1 ZINC000069594135 396084687 /nfs/dbraw/zinc/08/46/87/396084687.db2.gz MAICLXJOTUIEJU-UHFFFAOYSA-N 0 0 319.405 0.830 50 0 DCAARN Cc1nc(C)n(C[C@H]2CCCCN2CCS(C)(=O)=O)n1 ZINC000069597858 396084843 /nfs/dbraw/zinc/08/48/43/396084843.db2.gz ASOSZLBHUIKLJV-CYBMUJFWSA-N 0 0 300.428 0.794 50 0 DCAARN Cc1n[nH]cc1CNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000076854769 396209758 /nfs/dbraw/zinc/20/97/58/396209758.db2.gz TUAHNSVICAMPPN-CQSZACIVSA-N 0 0 311.349 0.805 50 0 DCAARN CN1CC[C@H](NC(=O)Nc2ccc(N3CCOCC3)nc2)C1=O ZINC000075143721 396176481 /nfs/dbraw/zinc/17/64/81/396176481.db2.gz HXTVESBKVPHRAQ-LBPRGKRZSA-N 0 0 319.365 0.270 50 0 DCAARN CC(C)S(=O)(=O)[C@@H](C)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000075583587 396181634 /nfs/dbraw/zinc/18/16/34/396181634.db2.gz BZAKTUKRWBOISQ-RYUDHWBXSA-N 0 0 314.411 0.653 50 0 DCAARN O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](n2cncn2)C1 ZINC000075583692 396181662 /nfs/dbraw/zinc/18/16/62/396181662.db2.gz KCWZUVUKMMWIMS-NWDGAFQWSA-N 0 0 312.395 0.266 50 0 DCAARN O=C(c1ccc(OCC2CC2)nc1)N1CCN(CCO)CC1 ZINC000075604522 396182433 /nfs/dbraw/zinc/18/24/33/396182433.db2.gz PZJBLIOFYBBBCT-UHFFFAOYSA-N 0 0 305.378 0.621 50 0 DCAARN O=C(COc1cc(F)ccc1F)N1CCN(CCO)CC1 ZINC000075605895 396182521 /nfs/dbraw/zinc/18/25/21/396182521.db2.gz LUSFKFVKPSPWPM-UHFFFAOYSA-N 0 0 300.305 0.480 50 0 DCAARN CC(C)C[C@@H](NC(N)=O)C(=O)N1CCC[C@H]1Cn1cccn1 ZINC000075604379 396182528 /nfs/dbraw/zinc/18/25/28/396182528.db2.gz NBNMXSHKOPZORY-QWHCGFSZSA-N 0 0 307.398 0.957 50 0 DCAARN Cc1nnc([C@H]2CN(C(=O)[C@H](C)OCC(F)(F)F)CCO2)[nH]1 ZINC000076045556 396193041 /nfs/dbraw/zinc/19/30/41/396193041.db2.gz XRVBHWAAJNRIQK-IONNQARKSA-N 0 0 322.287 0.980 50 0 DCAARN COc1cccc(C(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)c1 ZINC000262965303 396194597 /nfs/dbraw/zinc/19/45/97/396194597.db2.gz QUKIEMDXYWALSM-AWEZNQCLSA-N 0 0 322.361 0.553 50 0 DCAARN C[C@H](Cn1cncn1)NC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000263937720 396243864 /nfs/dbraw/zinc/24/38/64/396243864.db2.gz FVVXAFKELHAUNK-NEPJUHHUSA-N 0 0 303.370 0.979 50 0 DCAARN O=C(CN1CCOCC1)N1CCN(CCc2ccccn2)CC1 ZINC000078429136 396245216 /nfs/dbraw/zinc/24/52/16/396245216.db2.gz OEFSJNMXGPCBTM-UHFFFAOYSA-N 0 0 318.421 0.101 50 0 DCAARN NS(=O)(=O)NC[C@@H]1CCCN(Cc2ccnc(Cl)c2)C1 ZINC000078656585 396250936 /nfs/dbraw/zinc/25/09/36/396250936.db2.gz HUOILLCLKWMBKD-NSHDSACASA-N 0 0 318.830 0.740 50 0 DCAARN CC(C)c1nnc([C@@H]2CN(C(=O)Cn3cncn3)CCO2)[nH]1 ZINC000078888911 396256014 /nfs/dbraw/zinc/25/60/14/396256014.db2.gz TXJQYTVXMLDLTI-JTQLQIEISA-N 0 0 305.342 0.120 50 0 DCAARN Cn1cc([C@@](C)(O)CNC(=O)[C@H]2COc3ccccc32)cn1 ZINC000078939700 396258744 /nfs/dbraw/zinc/25/87/44/396258744.db2.gz MPXDSTZGCLHVLK-BBRMVZONSA-N 0 0 301.346 0.920 50 0 DCAARN Cc1oc(-c2ccccc2)nc1CS(=O)(=O)C[C@H](O)CO ZINC000079015712 396260220 /nfs/dbraw/zinc/26/02/20/396260220.db2.gz FNEFGNNQJFUKJW-GFCCVEGCSA-N 0 0 311.359 0.918 50 0 DCAARN CN(CC(N)=O)C[C@H]1CN(c2ccc3ccccc3n2)CCO1 ZINC000282136784 396265898 /nfs/dbraw/zinc/26/58/98/396265898.db2.gz ALNOQRSIYKNWAM-AWEZNQCLSA-N 0 0 314.389 0.857 50 0 DCAARN Cc1cn2c(nc(CN3CCOC[C@@H](CO)C3)cc2=O)s1 ZINC000077339852 396219193 /nfs/dbraw/zinc/21/91/93/396219193.db2.gz ISFPMXTXCAWHSK-LLVKDONJSA-N 0 0 309.391 0.505 50 0 DCAARN COCCN1C[C@@]2(CCCN(c3nccc(N)n3)C2)CCC1=O ZINC000077342249 396219677 /nfs/dbraw/zinc/21/96/77/396219677.db2.gz ZPQBBLZTSMDOHI-MRXNPFEDSA-N 0 0 319.409 0.914 50 0 DCAARN CC[C@@]1(O)CCN(C(=O)c2ccccc2-c2nc[nH]n2)C[C@H]1O ZINC000077375144 396220172 /nfs/dbraw/zinc/22/01/72/396220172.db2.gz KXMWCYRSXRAEAF-CZUORRHYSA-N 0 0 316.361 0.820 50 0 DCAARN NS(=O)(=O)CCCC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000077488906 396224407 /nfs/dbraw/zinc/22/44/07/396224407.db2.gz RSIXARRKRQYZSZ-SNVBAGLBSA-N 0 0 300.384 0.184 50 0 DCAARN CN(C)c1ccc(CN2CCN(CCn3cncn3)CC2)cn1 ZINC000077534969 396225603 /nfs/dbraw/zinc/22/56/03/396225603.db2.gz AIRSPBBDBBSIES-UHFFFAOYSA-N 0 0 315.425 0.557 50 0 DCAARN Cc1cc(C(=O)N2C[C@@H](C(C)C)[C@H](NS(C)(=O)=O)C2)[nH]n1 ZINC000082092468 396310913 /nfs/dbraw/zinc/31/09/13/396310913.db2.gz AVQFBZAATUIHCV-CMPLNLGQSA-N 0 0 314.411 0.364 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CC[C@](O)(c3cn[nH]n3)C2)cc1 ZINC000285060988 396347392 /nfs/dbraw/zinc/34/73/92/396347392.db2.gz OOKYVHVCAXZJNB-CYBMUJFWSA-N 0 0 308.363 0.395 50 0 DCAARN CN(C(=O)Cn1ccc2ccccc2c1=O)[C@@H]1COC[C@H]1O ZINC000287430252 396400442 /nfs/dbraw/zinc/40/04/42/396400442.db2.gz URCRCJSSLOBKPF-ZIAGYGMSSA-N 0 0 302.330 0.220 50 0 DCAARN CN(C)c1noc(CN2CCS(=O)(=O)c3ccccc3C2)n1 ZINC000192808364 396438322 /nfs/dbraw/zinc/43/83/22/396438322.db2.gz SQQUPZGCBYCGQH-UHFFFAOYSA-N 0 0 322.390 0.925 50 0 DCAARN Cn1ncc(I)c1CN1CCOCC1 ZINC000584881999 396631682 /nfs/dbraw/zinc/63/16/82/396631682.db2.gz WPRNLAMZTJIYMS-UHFFFAOYSA-N 0 0 307.135 0.857 50 0 DCAARN CCCN1C(=O)N[C@@H](CC(=O)N2CCC(OCC)CC2)C1=O ZINC000584885401 396632313 /nfs/dbraw/zinc/63/23/13/396632313.db2.gz JWKZRWVTXOFHOX-LBPRGKRZSA-N 0 0 311.382 0.734 50 0 DCAARN O=C(NCc1nc2cc(F)ccc2[nH]1)[C@@H]1CCC(=O)NC(=O)N1 ZINC000584887543 396633291 /nfs/dbraw/zinc/63/32/91/396633291.db2.gz SGXHQMCUAYSZRQ-VIFPVBQESA-N 0 0 319.296 0.306 50 0 DCAARN Cc1cc(C)n(CC(=O)NCc2nc(C(C)C)no2)c(=O)n1 ZINC000584894061 396634903 /nfs/dbraw/zinc/63/49/03/396634903.db2.gz IBULRBVZDLGZTI-UHFFFAOYSA-N 0 0 305.338 0.683 50 0 DCAARN CN(C)C(=O)NCC(=O)N1CCC[C@H](CN2CCCC2=O)C1 ZINC000584896932 396635547 /nfs/dbraw/zinc/63/55/47/396635547.db2.gz BIXXTTANGSDNBL-GFCCVEGCSA-N 0 0 310.398 0.119 50 0 DCAARN CCS(=O)(=O)CCNC(=O)N1CCC[C@H]1c1nc(C)no1 ZINC000584896426 396635637 /nfs/dbraw/zinc/63/56/37/396635637.db2.gz YRWWIFUFKJCVNH-JTQLQIEISA-N 0 0 316.383 0.659 50 0 DCAARN CNC(=O)c1[nH]nc2c1CN(C(=O)Cc1ccsc1)CC2 ZINC000584898279 396635724 /nfs/dbraw/zinc/63/57/24/396635724.db2.gz OVCNOBXCBRCQLW-UHFFFAOYSA-N 0 0 304.375 0.958 50 0 DCAARN O=C(C[C@@H]1CCCOC1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000584897673 396635844 /nfs/dbraw/zinc/63/58/44/396635844.db2.gz MHNDVYHWJQWEJR-AWEZNQCLSA-N 0 0 324.421 0.901 50 0 DCAARN Cc1nc2c(c(=O)[nH]1)CN(C(=O)[C@H]1CCCCn3nnnc31)C2 ZINC000584898131 396635862 /nfs/dbraw/zinc/63/58/62/396635862.db2.gz RZFYAESZSGSOLC-VIFPVBQESA-N 0 0 315.337 0.287 50 0 DCAARN O=C(NCc1ccc2ccccc2n1)[C@@H]1CCC(=O)NC(=O)N1 ZINC000584900322 396636102 /nfs/dbraw/zinc/63/61/02/396636102.db2.gz COMQAXHOROOQMP-ZDUSSCGKSA-N 0 0 312.329 0.839 50 0 DCAARN Cc1nc(C)c(CC(=O)NCCc2nc(N)cc(=O)[nH]2)s1 ZINC000584900280 396636382 /nfs/dbraw/zinc/63/63/82/396636382.db2.gz BIGPRALANOFGHY-UHFFFAOYSA-N 0 0 307.379 0.739 50 0 DCAARN O=C(CN1CCC[C@H](O)C1)NCCc1nc2ccccc2o1 ZINC000584900891 396636563 /nfs/dbraw/zinc/63/65/63/396636563.db2.gz XOUFRLVDILEFIV-LBPRGKRZSA-N 0 0 303.362 0.943 50 0 DCAARN CN(Cc1noc(C2CCC2)n1)C(=O)CSc1nnnn1C ZINC000584903645 396637171 /nfs/dbraw/zinc/63/71/71/396637171.db2.gz HZUIAIMWNGHWKR-UHFFFAOYSA-N 0 0 323.382 0.611 50 0 DCAARN COCCN1CCN(C(=O)NCCc2noc(C3CC3)n2)CC1 ZINC000584902190 396637246 /nfs/dbraw/zinc/63/72/46/396637246.db2.gz KZQQIQONYKUOOO-UHFFFAOYSA-N 0 0 323.397 0.463 50 0 DCAARN O=C(COc1ccccc1F)N[C@@H](CO)[C@@H](O)c1cccnc1 ZINC000585134056 396640753 /nfs/dbraw/zinc/64/07/53/396640753.db2.gz BSXIKIOTQVUZNA-BBRMVZONSA-N 0 0 320.320 0.810 50 0 DCAARN CN(C)c1noc([C@H]2CCCN2CC(=O)Nc2nncs2)n1 ZINC000374538473 396670829 /nfs/dbraw/zinc/67/08/29/396670829.db2.gz QVJZGMDUGADIAJ-MRVPVSSYSA-N 0 0 323.382 0.763 50 0 DCAARN Cn1cc(S(=O)(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)cn1 ZINC000390826295 397300855 /nfs/dbraw/zinc/30/08/55/397300855.db2.gz HJUHXWMSOMTHIS-NSHDSACASA-N 0 0 322.394 0.525 50 0 DCAARN Cn1cc(S(=O)(=O)NCc2nccnc2-c2ccco2)cn1 ZINC000390829709 397303488 /nfs/dbraw/zinc/30/34/88/397303488.db2.gz GALFZCQEPBBWDO-UHFFFAOYSA-N 0 0 319.346 0.949 50 0 DCAARN COc1ccc(/C=c2/sc3nc(=O)c(C)nn3c2=O)cc1 ZINC000012340831 286269014 /nfs/dbraw/zinc/26/90/14/286269014.db2.gz VMOGMNVDOQMWHN-YRNVUSSQSA-N 0 0 301.327 0.376 50 0 DCAARN COc1ccc(OC)c(NC(=O)CN(C)S(C)(=O)=O)c1 ZINC000022606548 286342822 /nfs/dbraw/zinc/34/28/22/286342822.db2.gz PJTWPAVJSFXUGQ-UHFFFAOYSA-N 0 0 302.352 0.534 50 0 DCAARN CCN(C)S(=O)(=O)N[C@@H]1COc2c(cccc2OC)C1 ZINC000072709562 158052519 /nfs/dbraw/zinc/05/25/19/158052519.db2.gz TWGZZTKUJUUHRX-NSHDSACASA-N 0 0 300.380 0.785 50 0 DCAARN Cc1n[nH]c(C)c1NC(=O)CN1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000127284556 158273240 /nfs/dbraw/zinc/27/32/40/158273240.db2.gz ARVMZPBBBBDZME-QWRGUYRKSA-N 0 0 314.411 0.472 50 0 DCAARN Cc1cc(CS(=O)(=O)NCCN2CCOCC2(C)C)on1 ZINC000330132957 159145011 /nfs/dbraw/zinc/14/50/11/159145011.db2.gz LSSVSYFYAULNII-UHFFFAOYSA-N 0 0 317.411 0.513 50 0 DCAARN CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(C)o1 ZINC000332736317 287146645 /nfs/dbraw/zinc/14/66/45/287146645.db2.gz YMBQTZRFKKGZCR-SNVBAGLBSA-N 0 0 322.408 0.290 50 0 DCAARN C[C@@H]1C(=O)N(CC(=O)N2CCNC2=O)C(=O)N1c1ccccc1 ZINC000014171101 287175149 /nfs/dbraw/zinc/17/51/49/287175149.db2.gz VJKORFFANAHATK-SNVBAGLBSA-N 0 0 316.317 0.396 50 0 DCAARN Cc1cc(NC(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)nnc1C ZINC000626385053 412395323 /nfs/dbraw/zinc/39/53/23/412395323.db2.gz SWLWVYGCPVRDHK-GHMZBOCLSA-N 0 0 303.326 0.135 50 0 DCAARN NN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCOCC2)n1 ZINC000000363253 415125256 /nfs/dbraw/zinc/12/52/56/415125256.db2.gz XNWIESFDWGKRIU-UHFFFAOYSA-N 0 0 305.317 0.877 50 0 DCAARN C[C@]12C[C@H](c3ccccc3O1)[C@H](C(=O)N1CCOCC1)C(=O)N2 ZINC000004029590 415130071 /nfs/dbraw/zinc/13/00/71/415130071.db2.gz DZOGEVYEXFQKMC-HACGYAERSA-N 0 0 316.357 0.874 50 0 biogenic DCAARN O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NC1CC1 ZINC000003226438 415130212 /nfs/dbraw/zinc/13/02/12/415130212.db2.gz QFYBOOSYIBOMSX-UHFFFAOYSA-N 0 0 302.286 0.104 50 0 DCAARN CO[C@@H]1O[C@H](CF)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005495630 415132844 /nfs/dbraw/zinc/13/28/44/415132844.db2.gz CMWVMIMZFZXIIK-RXGFPQBGSA-N 0 0 322.285 0.122 50 0 DCAARN CN(C)c1nc2n(c(=O)n1)CCN2C(=O)Nc1ccccc1 ZINC000006703022 415133689 /nfs/dbraw/zinc/13/36/89/415133689.db2.gz CMYCSDSJPLMCAZ-UHFFFAOYSA-N 0 0 300.322 0.756 50 0 DCAARN COCCNC(=O)CN1C(=O)CSc2nc(C)cc(C)c21 ZINC000006802791 415134803 /nfs/dbraw/zinc/13/48/03/415134803.db2.gz YCDFOXUZAYWEHG-UHFFFAOYSA-N 0 0 309.391 0.900 50 0 DCAARN CCNC(=O)[C@H](C)NC(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000007019595 415136962 /nfs/dbraw/zinc/13/69/62/415136962.db2.gz FOXQZPHYPJJXSK-NSHDSACASA-N 0 0 316.365 0.289 50 0 DCAARN COc1ccc(CC[C@]2(C)NC(=O)N(CC(N)=O)C2=O)cc1 ZINC000007411507 415140159 /nfs/dbraw/zinc/14/01/59/415140159.db2.gz AAGGYYJVZLLEJK-HNNXBMFYSA-N 0 0 305.334 0.424 50 0 DCAARN CC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(C)C ZINC000007425931 415140442 /nfs/dbraw/zinc/14/04/42/415140442.db2.gz UCEIAVFKJHWJME-UHFFFAOYSA-N 0 0 310.379 0.760 50 0 DCAARN COc1ccc(C(=O)OCC(=O)NC[C@@H]2CCCO2)c(O)c1 ZINC000007396823 415141667 /nfs/dbraw/zinc/14/16/67/415141667.db2.gz ANIWYHPJQPPCIL-NSHDSACASA-N 0 0 309.318 0.853 50 0 DCAARN CN(Cc1ccccc1)C(=O)Cn1nc(-n2cncn2)ccc1=O ZINC000040539779 415197987 /nfs/dbraw/zinc/19/79/87/415197987.db2.gz KEUVEMASMNEUNL-UHFFFAOYSA-N 0 0 324.344 0.483 50 0 DCAARN Cc1cccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000043647777 415215574 /nfs/dbraw/zinc/21/55/74/415215574.db2.gz JVNPYEIFEWPVAB-CYBMUJFWSA-N 0 0 323.418 0.335 50 0 DCAARN COc1ccc(OCC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000044456524 415220015 /nfs/dbraw/zinc/22/00/15/415220015.db2.gz HZKJEOPKUDVGJM-NSHDSACASA-N 0 0 313.375 0.625 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000044934099 415233707 /nfs/dbraw/zinc/23/37/07/415233707.db2.gz NIXRNUJLQQUWJU-VHSXEESVSA-N 0 0 318.299 0.799 50 0 DCAARN Cc1cc(C)n2nc(C(=O)N[C@@H](C)CN3CCOCC3)nc2n1 ZINC000044943501 415234940 /nfs/dbraw/zinc/23/49/40/415234940.db2.gz NOALOTFFIAHWSR-NSHDSACASA-N 0 0 318.381 0.192 50 0 DCAARN CCn1nc(C)c(CNC(=O)C(=O)Nc2c[nH]ccc2=O)c1C ZINC000044921728 415235078 /nfs/dbraw/zinc/23/50/78/415235078.db2.gz JNKSQANXBQBKHC-UHFFFAOYSA-N 0 0 317.349 0.463 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)c1cc2ccccc2[nH]c1=O ZINC000044940543 415236147 /nfs/dbraw/zinc/23/61/47/415236147.db2.gz QDTMFDZDUUEFQF-LBPRGKRZSA-N 0 0 315.373 0.979 50 0 DCAARN COc1ncccc1CNC(=O)NCCN1C[C@H](C)O[C@@H](C)C1 ZINC000044953753 415237894 /nfs/dbraw/zinc/23/78/94/415237894.db2.gz NVAQNIJYRYKKIX-STQMWFEESA-N 0 0 322.409 0.999 50 0 DCAARN Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@@H](C)S(C)(=O)=O)n1 ZINC000044953233 415237968 /nfs/dbraw/zinc/23/79/68/415237968.db2.gz YOYXBACWDCIHFV-JOYOIKCWSA-N 0 0 301.412 0.685 50 0 DCAARN O=C(N[C@H]1CCCCNC1=O)N1CCN(c2nccs2)CC1 ZINC000044967954 415238068 /nfs/dbraw/zinc/23/80/68/415238068.db2.gz WOOIXUFWKUWJQS-NSHDSACASA-N 0 0 323.422 0.643 50 0 DCAARN C[C@@H]1CN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CCO1 ZINC000044972155 415239254 /nfs/dbraw/zinc/23/92/54/415239254.db2.gz XYTXCYSDBUKAFC-GFCCVEGCSA-N 0 0 323.397 0.202 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)N(Cc1ccccn1)C1CC1 ZINC000044966279 415240366 /nfs/dbraw/zinc/24/03/66/415240366.db2.gz KBLGGOPOKMVYGQ-LBPRGKRZSA-N 0 0 309.391 0.943 50 0 DCAARN Cc1ncc2c(n1)CCN(Cn1nc3n(c1=O)CCCCC3)C2 ZINC000044979271 415240786 /nfs/dbraw/zinc/24/07/86/415240786.db2.gz HUCLNSMVAHYOMB-UHFFFAOYSA-N 0 0 314.393 0.885 50 0 DCAARN Cc1cc(C(=O)NCCCNc2ncnc3n[nH]cc32)nn1C ZINC000046087770 415254046 /nfs/dbraw/zinc/25/40/46/415254046.db2.gz GDMGYZTYIDNWQN-UHFFFAOYSA-N 0 0 314.353 0.627 50 0 DCAARN C[C@H]1CCCN(S(=O)(=O)N(CC(N)=O)C2CCCC2)C1 ZINC000047281708 415265798 /nfs/dbraw/zinc/26/57/98/415265798.db2.gz CJUFPUDSPJAGGP-NSHDSACASA-N 0 0 303.428 0.693 50 0 DCAARN COCCNC(=O)[C@@H](C)S(=O)(=O)Cc1ccccc1F ZINC000044640462 415226555 /nfs/dbraw/zinc/22/65/55/415226555.db2.gz ZBHSVVHXMVCKIF-SNVBAGLBSA-N 0 0 303.355 0.892 50 0 DCAARN O=C(CN1CCN(c2nccs2)CC1)NC[C@@H]1CCCO1 ZINC000044894408 415228841 /nfs/dbraw/zinc/22/88/41/415228841.db2.gz ZWTJACZWKNUOCP-LBPRGKRZSA-N 0 0 310.423 0.560 50 0 DCAARN NS(=O)(=O)C1CCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000332079993 415231635 /nfs/dbraw/zinc/23/16/35/415231635.db2.gz JBFGQAKVRNNBFV-UHFFFAOYSA-N 0 0 312.351 0.583 50 0 DCAARN C[C@@H]1COCCN1C(=O)Cn1nc(-c2cccs2)oc1=O ZINC000044916757 415231822 /nfs/dbraw/zinc/23/18/22/415231822.db2.gz FUTLUXIREFDPGN-SECBINFHSA-N 0 0 309.347 0.812 50 0 DCAARN COC(=O)[C@H]1C[C@@H](O)CCN1Cc1c(CO)cnc(C)c1O ZINC000065465888 415355247 /nfs/dbraw/zinc/35/52/47/415355247.db2.gz UIACKXHZOBWZAV-WCQYABFASA-N 0 0 310.350 0.086 50 0 DCAARN COc1cccc(C(=O)NCCNC(=O)c2ccnc(C)n2)c1 ZINC000048290982 415287160 /nfs/dbraw/zinc/28/71/60/415287160.db2.gz ACMWZGDPMMYRBF-UHFFFAOYSA-N 0 0 314.345 0.953 50 0 DCAARN CC[C@@](C)(CNC(=O)NCCn1ccnc1)N1CCOCC1 ZINC000048286942 415287471 /nfs/dbraw/zinc/28/74/71/415287471.db2.gz LNJRRDDRDOZGAP-HNNXBMFYSA-N 0 0 309.414 0.683 50 0 DCAARN Cc1cc([C@H]2CCCN2CC(=O)N2CCC(C(N)=O)CC2)on1 ZINC000048303790 415290861 /nfs/dbraw/zinc/29/08/61/415290861.db2.gz LHAJLXDLIWXEGX-CYBMUJFWSA-N 0 0 320.393 0.844 50 0 DCAARN C[C@H]1CN(CCNc2cncc(-n3cncn3)n2)C[C@H](C)O1 ZINC000048354016 415292785 /nfs/dbraw/zinc/29/27/85/415292785.db2.gz NHRLRWSQERGXAJ-RYUDHWBXSA-N 0 0 303.370 0.578 50 0 DCAARN C[C@]1(C(=O)N2CCCN(CC(N)=O)CC2)CC1(Cl)Cl ZINC000049090346 415304678 /nfs/dbraw/zinc/30/46/78/415304678.db2.gz MCQQUICKVYHSRU-LLVKDONJSA-N 0 0 308.209 0.590 50 0 DCAARN O=S1(=O)CC[C@@H](N2CCN(Cn3cc(Cl)cn3)CC2)C1 ZINC000049320229 415306162 /nfs/dbraw/zinc/30/61/62/415306162.db2.gz AJBXNNAZHXIWGS-GFCCVEGCSA-N 0 0 318.830 0.299 50 0 DCAARN C[C@@H](C(=O)NCc1cccc(N2CCCC2=O)c1)S(C)(=O)=O ZINC000049759183 415309595 /nfs/dbraw/zinc/30/95/95/415309595.db2.gz XBBDLUYNGWSBNP-NSHDSACASA-N 0 0 324.402 0.863 50 0 DCAARN COCc1cccc(CNC(=O)NCCS(C)(=O)=O)c1 ZINC000049518732 415309685 /nfs/dbraw/zinc/30/96/85/415309685.db2.gz AIESNZHHVIRSHG-UHFFFAOYSA-N 0 0 300.380 0.677 50 0 DCAARN CN1C(=O)CO[C@H](C(=O)NCCO)[C@@H]1c1ccc(Cl)cc1 ZINC000072241299 415408644 /nfs/dbraw/zinc/40/86/44/415408644.db2.gz SVTPADNBVXSQMP-STQMWFEESA-N 0 0 312.753 0.347 50 0 DCAARN C[C@]12CSCC(=O)N1[C@H](C(=O)N1CCOCC1)CS2 ZINC000071815220 415410172 /nfs/dbraw/zinc/41/01/72/415410172.db2.gz XZVYAIPKCJFSKM-CABZTGNLSA-N 0 0 302.421 0.252 50 0 DCAARN COc1ncc(-c2nccn2CCSc2nnnn2C)cn1 ZINC000071405884 415410949 /nfs/dbraw/zinc/41/09/49/415410949.db2.gz ARJKTDYQIRVGHT-UHFFFAOYSA-N 0 0 318.366 0.665 50 0 DCAARN CCCN1CCN(Cc2coc(C)n2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072408807 415414006 /nfs/dbraw/zinc/41/40/06/415414006.db2.gz VWSFCNCMUPGLPR-KGLIPLIRSA-N 0 0 313.423 0.676 50 0 DCAARN COC(=O)c1cn(C)nc1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000067245711 415373768 /nfs/dbraw/zinc/37/37/68/415373768.db2.gz UNFPKCCSMSUCBX-SECBINFHSA-N 0 0 301.368 0.627 50 0 DCAARN Cc1ccc(C2(O)CCN(C(=O)c3cc(N)n[nH]3)CC2)nc1 ZINC000067586930 415377437 /nfs/dbraw/zinc/37/74/37/415377437.db2.gz DMXRUNPASVAWID-UHFFFAOYSA-N 0 0 301.350 0.819 50 0 DCAARN O=C(CNCc1nnc2n1CCC2)N=c1[nH]c2ccccc2[nH]1 ZINC000067473130 415379406 /nfs/dbraw/zinc/37/94/06/415379406.db2.gz OPUPZOIGRVCRES-UHFFFAOYSA-N 0 0 311.349 0.251 50 0 DCAARN CCc1ncc2c(n1)CN(C(=O)C[C@H](C)N1CCOCC1)C2 ZINC000067820025 415383102 /nfs/dbraw/zinc/38/31/02/415383102.db2.gz IUUKTLUWAJBCJA-LBPRGKRZSA-N 0 0 304.394 0.992 50 0 DCAARN CC(=O)N1CCCn2nc(C(=O)N3CCC[C@@H](O)C3)cc2C1 ZINC000067756168 415385141 /nfs/dbraw/zinc/38/51/41/415385141.db2.gz TYXITWQLXHLJEI-CYBMUJFWSA-N 0 0 306.366 0.232 50 0 DCAARN CN1C[C@@H](NC(=O)C(C)(C)C)C[C@H]1C(=O)NCc1ncc[nH]1 ZINC000067868369 415388435 /nfs/dbraw/zinc/38/84/35/415388435.db2.gz TVMLXFMONZDJRV-QWRGUYRKSA-N 0 0 307.398 0.261 50 0 DCAARN O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CCN(C2CC2)CC1 ZINC000084432626 415497213 /nfs/dbraw/zinc/49/72/13/415497213.db2.gz JIALKYJHFIAWRV-ZDUSSCGKSA-N 0 0 317.389 0.935 50 0 DCAARN CC(=O)NCCNC(=O)CN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000075132287 415436199 /nfs/dbraw/zinc/43/61/99/415436199.db2.gz VVFSFWXYMPXNNL-AWEZNQCLSA-N 0 0 321.425 0.426 50 0 DCAARN CC[C@H](C)NC(=O)CN1CCN(c2cncc(OC)n2)CC1 ZINC000075139876 415438069 /nfs/dbraw/zinc/43/80/69/415438069.db2.gz BYHUPJNWQIJBEF-LBPRGKRZSA-N 0 0 307.398 0.522 50 0 DCAARN CC(C)c1nnc2n1CCN(CCN1C(=O)NC(C)(C)C1=O)C2 ZINC000075131655 415438174 /nfs/dbraw/zinc/43/81/74/415438174.db2.gz JBQCTOMCZKCBTK-UHFFFAOYSA-N 0 0 320.397 0.548 50 0 DCAARN COc1ccnc(N2CCC[C@H]2C(=O)N2CCN(C)CC2)n1 ZINC000075123751 415438471 /nfs/dbraw/zinc/43/84/71/415438471.db2.gz QHXWCWCNDSIEFG-LBPRGKRZSA-N 0 0 305.382 0.228 50 0 DCAARN C[C@](O)(CNC(=O)C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000075155954 415439279 /nfs/dbraw/zinc/43/92/79/415439279.db2.gz WZEZXATZZHFWJL-HZMBPMFUSA-N 0 0 312.391 0.367 50 0 DCAARN COc1ccc([C@H]2C[C@H]2C(=O)N2CCN(CCO)CC2)cc1 ZINC000075604810 415449148 /nfs/dbraw/zinc/44/91/48/415449148.db2.gz OOAJMLUNEUCJPO-HZPDHXFCSA-N 0 0 304.390 0.935 50 0 DCAARN Cc1nnc2ccc(C(=O)N3CCN(CC(C)(C)O)CC3)cn12 ZINC000075606578 415452889 /nfs/dbraw/zinc/45/28/89/415452889.db2.gz UAZZOOZLXZOXNZ-UHFFFAOYSA-N 0 0 317.393 0.566 50 0 DCAARN CCN(C[C@H]1CN(Cc2ncc[nH]2)CCO1)c1cccnn1 ZINC000084774639 415502530 /nfs/dbraw/zinc/50/25/30/415502530.db2.gz CAMYRQDIXGTUIX-CYBMUJFWSA-N 0 0 302.382 0.927 50 0 DCAARN C[C@H](CO)NC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000095350304 415549235 /nfs/dbraw/zinc/54/92/35/415549235.db2.gz PIYIFQFSZVIYBK-SECBINFHSA-N 0 0 313.379 0.630 50 0 DCAARN CN1C(=O)C[C@H](C(=O)[O-])C12CC[NH+](Cc1ccncc1)CC2 ZINC000095355521 415552744 /nfs/dbraw/zinc/55/27/44/415552744.db2.gz WXCMWAFRISTNGF-CYBMUJFWSA-N 0 0 303.362 0.979 50 0 DCAARN CC(C)c1nccn1[C@H](C)C(=O)NCCSc1nnnn1C ZINC000095354664 415553889 /nfs/dbraw/zinc/55/38/89/415553889.db2.gz GMMXCEUETWVIMG-SNVBAGLBSA-N 0 0 323.426 1.000 50 0 DCAARN CCc1cc(N2CCN(c3cnn(C)c(=O)c3)CC2)ncn1 ZINC000095357798 415555048 /nfs/dbraw/zinc/55/50/48/415555048.db2.gz NDKJVFRJXRALCG-UHFFFAOYSA-N 0 0 300.366 0.459 50 0 DCAARN CN(C)[C@H](C(=O)NCCc1cc(=O)[nH]cn1)c1cccc(F)c1 ZINC000095380156 415557311 /nfs/dbraw/zinc/55/73/11/415557311.db2.gz GWUCGOOGJSUCNQ-HNNXBMFYSA-N 0 0 318.352 0.871 50 0 DCAARN Cc1nc(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)oc1C ZINC000096407659 415576301 /nfs/dbraw/zinc/57/63/01/415576301.db2.gz XPTCILJDRLOWOT-OLZOCXBDSA-N 0 0 313.423 0.642 50 0 DCAARN CCCn1cnc2c1c(=O)n(Cc1cc(C)no1)c(=O)n2C ZINC000095955592 415561830 /nfs/dbraw/zinc/56/18/30/415561830.db2.gz FMKLSCIYOZNBDX-UHFFFAOYSA-N 0 0 303.322 0.651 50 0 DCAARN COC(=O)c1nc(NC(=O)c2ccc3nnnn3c2)sc1C ZINC000095478842 415561881 /nfs/dbraw/zinc/56/18/81/415561881.db2.gz ANNGVCBDPGLZIA-UHFFFAOYSA-N 0 0 318.318 0.928 50 0 DCAARN COc1nccnc1N1CCC[C@H](c2nccn2CC(N)=O)C1 ZINC000095502235 415561978 /nfs/dbraw/zinc/56/19/78/415561978.db2.gz YNGKSXBTIKFWJA-NSHDSACASA-N 0 0 316.365 0.551 50 0 DCAARN CCOC(=O)[C@H]1CCCCN1CCN1C(=O)NC(C)(C)C1=O ZINC000095948702 415564491 /nfs/dbraw/zinc/56/44/91/415564491.db2.gz HBYASDYWBJRVFL-LLVKDONJSA-N 0 0 311.382 0.734 50 0 DCAARN O=S(=O)(CCn1cccn1)c1nnc(N2CCCC2)s1 ZINC000102961162 415602366 /nfs/dbraw/zinc/60/23/66/415602366.db2.gz FCUWAPQPFSMSJH-UHFFFAOYSA-N 0 0 313.408 0.809 50 0 DCAARN Cc1ncoc1C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000333322419 415611040 /nfs/dbraw/zinc/61/10/40/415611040.db2.gz PQMLSNVPNLNYLH-NSHDSACASA-N 0 0 313.379 0.623 50 0 DCAARN Cn1nc(C(=O)N2CC[NH2+]C[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000097088486 415580412 /nfs/dbraw/zinc/58/04/12/415580412.db2.gz YYMCMZWNKAFOCJ-JTQLQIEISA-N 0 0 302.334 0.320 50 0 DCAARN COC[C@H]1CCCN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000097098942 415582758 /nfs/dbraw/zinc/58/27/58/415582758.db2.gz HWQYIKZDRXFVCA-CQSZACIVSA-N 0 0 301.350 0.842 50 0 DCAARN O=C1[C@H]2ON3CCOC[C@@H]3[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000100920573 415593240 /nfs/dbraw/zinc/59/32/40/415593240.db2.gz XYHVDHOGTZELOX-WOPDTQHZSA-N 0 0 308.721 0.844 50 0 DCAARN NC(=O)[C@@H]1CC[C@H](CNC(=O)NCc2nc(C3CC3)cs2)O1 ZINC000152588324 415968670 /nfs/dbraw/zinc/96/86/70/415968670.db2.gz ADIDRAAIUDCXLB-KOLCDFICSA-N 0 0 324.406 0.853 50 0 DCAARN CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2CSCCS2)C1=O ZINC000298207673 415996046 /nfs/dbraw/zinc/99/60/46/415996046.db2.gz JQXZOSFMZNJVHS-WRWORJQWSA-N 0 0 303.409 0.587 50 0 DCAARN C[C@H](Cn1cncn1)NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000299138546 416055765 /nfs/dbraw/zinc/05/57/65/416055765.db2.gz XRNQKSNVQDAWQN-IWSPIJDZSA-N 0 0 319.287 0.240 50 0 DCAARN Cc1cnc(C)c(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000299307553 416060992 /nfs/dbraw/zinc/06/09/92/416060992.db2.gz DXDJPTDZRKQYRS-ZDUSSCGKSA-N 0 0 310.423 0.403 50 0 DCAARN CN1CCN(CC(=O)NCCc2noc(C(F)(F)F)n2)C1=O ZINC000299759668 416063899 /nfs/dbraw/zinc/06/38/99/416063899.db2.gz QAUBFFXOVAFECZ-UHFFFAOYSA-N 0 0 321.259 0.115 50 0 DCAARN C[N@@H+](Cc1n[nH]c(=O)[n-]1)C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000299760354 416063986 /nfs/dbraw/zinc/06/39/86/416063986.db2.gz QLJVSZRSFNKNMM-NSHDSACASA-N 0 0 301.350 0.583 50 0 DCAARN CN(C)c1cccc(NC(=O)NCCN(C)S(C)(=O)=O)c1 ZINC000299757503 416064449 /nfs/dbraw/zinc/06/44/49/416064449.db2.gz IGEYMBMKGDFKCB-UHFFFAOYSA-N 0 0 314.411 0.766 50 0 DCAARN CCc1nc(C)c(CNC(=O)c2cn(C)c(=O)[nH]c2=O)s1 ZINC000299761335 416064516 /nfs/dbraw/zinc/06/45/16/416064516.db2.gz JHZPIADGWXJBSU-UHFFFAOYSA-N 0 0 308.363 0.743 50 0 DCAARN C[C@H](NS(C)(=O)=O)C(=O)N1CC(Oc2ccc(F)cc2)C1 ZINC000299757687 416064774 /nfs/dbraw/zinc/06/47/74/416064774.db2.gz AEWGIINIGKKRLN-VIFPVBQESA-N 0 0 316.354 0.353 50 0 DCAARN O=C(NCCc1cn2ccsc2n1)[C@H]1CCC(=O)NC(=O)N1 ZINC000299772423 416066210 /nfs/dbraw/zinc/06/62/10/416066210.db2.gz XEATUXNBCADHRC-SECBINFHSA-N 0 0 321.362 0.043 50 0 DCAARN Cc1cc(C(=O)N2CCc3nc(C)n(C)c(=O)c3CC2)no1 ZINC000299781719 416067740 /nfs/dbraw/zinc/06/77/40/416067740.db2.gz FCHKJMFOGBNGGF-UHFFFAOYSA-N 0 0 302.334 0.626 50 0 DCAARN O=C(CCCn1cnnn1)NCCc1nc2ccccc2o1 ZINC000299785075 416068794 /nfs/dbraw/zinc/06/87/94/416068794.db2.gz QBFKXNDFYUYRJG-UHFFFAOYSA-N 0 0 300.322 0.953 50 0 DCAARN CO[C@]12CC[N@H+](CCn3ccnc3)[C@H]1C[C@@H](OCC(=O)[O-])CC2 ZINC000299785868 416068799 /nfs/dbraw/zinc/06/87/99/416068799.db2.gz LXVPJLXFCYSRSY-OFQRWUPVSA-N 0 0 323.393 0.996 50 0 DCAARN CNC(=O)c1noc(CNC(=O)c2n[nH]c3c2C[C@H](C)CC3)n1 ZINC000299791466 416069382 /nfs/dbraw/zinc/06/93/82/416069382.db2.gz FYEQNSXRYAYQQU-SSDOTTSWSA-N 0 0 318.337 0.207 50 0 DCAARN O=C(c1ccc2c(c1)OCCO2)N1CCc2[nH]nc(CO)c2C1 ZINC000299794609 416069392 /nfs/dbraw/zinc/06/93/92/416069392.db2.gz LPRBZZNDAFFBFM-UHFFFAOYSA-N 0 0 315.329 0.872 50 0 DCAARN COCCCn1cnnc1CNC(=O)c1cc(C)nc(C)n1 ZINC000299788374 416070132 /nfs/dbraw/zinc/07/01/32/416070132.db2.gz OUMBUPFXSCWGIT-UHFFFAOYSA-N 0 0 304.354 0.651 50 0 DCAARN CCCN1C[C@H](C(=O)NCc2cnc3cnccn23)CCC1=O ZINC000299802344 416070684 /nfs/dbraw/zinc/07/06/84/416070684.db2.gz SOTLSKXBDWTZNR-GFCCVEGCSA-N 0 0 315.377 0.994 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000299797231 416071998 /nfs/dbraw/zinc/07/19/98/416071998.db2.gz NCAUSEDOYGGTKK-SECBINFHSA-N 0 0 308.363 0.314 50 0 DCAARN Cc1cnc(CNS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)o1 ZINC000175603396 416110647 /nfs/dbraw/zinc/11/06/47/416110647.db2.gz OJHQJIUHXUXUBR-UHFFFAOYSA-N 0 0 321.358 0.747 50 0 DCAARN Cn1nc(C(N)=O)c2c1CCN(C[C@@H](O)c1ccccc1)C2 ZINC000252487710 416334593 /nfs/dbraw/zinc/33/45/93/416334593.db2.gz IAILTLIFDLRUPS-CQSZACIVSA-N 0 0 300.362 0.611 50 0 DCAARN COCc1noc(CN2CCN(c3nccc(C)n3)CC2)n1 ZINC000195571722 416326838 /nfs/dbraw/zinc/32/68/38/416326838.db2.gz RNOMOGZOODSYQN-UHFFFAOYSA-N 0 0 304.354 0.637 50 0 DCAARN COc1cccc(CN2CCOC[C@@H]2CO)c1OCC[NH+](C)C ZINC000215380819 416327189 /nfs/dbraw/zinc/32/71/89/416327189.db2.gz QHHAZFNCVQQGGM-HNNXBMFYSA-N 0 0 324.421 0.829 50 0 DCAARN Cc1cc(N)n(CC(=O)N2CCC[C@@H](c3ccncn3)C2)n1 ZINC000215145512 416327195 /nfs/dbraw/zinc/32/71/95/416327195.db2.gz JKRXGJGDENXVMA-GFCCVEGCSA-N 0 0 300.366 0.970 50 0 DCAARN COCCn1ccnc1CN1CCN(c2ncccn2)CC1 ZINC000215670242 416327283 /nfs/dbraw/zinc/32/72/83/416327283.db2.gz JXVDFMWCIBMXHM-UHFFFAOYSA-N 0 0 302.382 0.642 50 0 DCAARN O=C(Cc1ccc(F)cc1Cl)NCc1c[nH]c(=O)[nH]c1=O ZINC000215618989 416327285 /nfs/dbraw/zinc/32/72/85/416327285.db2.gz YYEWJCVMVULKAF-UHFFFAOYSA-N 0 0 311.700 0.715 50 0 DCAARN CCn1ccc(CN2CCO[C@H](c3nnnn3CCOC)C2)n1 ZINC000240163560 416330077 /nfs/dbraw/zinc/33/00/77/416330077.db2.gz JBZJFQSAHWGQKP-ZDUSSCGKSA-N 0 0 321.385 0.109 50 0 DCAARN CO[C@@H]1C[C@H]2C(=O)N([C@H]3CCN(CC(F)(F)F)C3)C(=O)N2C1 ZINC000240407397 416330132 /nfs/dbraw/zinc/33/01/32/416330132.db2.gz FLXXOIPSQSIMJT-AEJSXWLSSA-N 0 0 321.299 0.675 50 0 DCAARN CCn1ccc(CN2CCO[C@@H](c3nnnn3CCOC)C2)n1 ZINC000240163559 416330140 /nfs/dbraw/zinc/33/01/40/416330140.db2.gz JBZJFQSAHWGQKP-CYBMUJFWSA-N 0 0 321.385 0.109 50 0 DCAARN O[C@@H]1CO[C@H](Nc2ccc(Br)cc2)[C@H](O)[C@H]1O ZINC000239433335 416330212 /nfs/dbraw/zinc/33/02/12/416330212.db2.gz XNRPWNFGHKJOMI-YTWAJWBKSA-N 0 0 304.140 0.300 50 0 DCAARN O=C(CN1CCC(Oc2ncccn2)CC1)NC[C@@H]1CCCO1 ZINC000244735109 416330789 /nfs/dbraw/zinc/33/07/89/416330789.db2.gz NTCLYXIWZXZZLQ-AWEZNQCLSA-N 0 0 320.393 0.615 50 0 DCAARN CO[C@@H]1CCCN(C(=O)CN2CCN(c3ncccn3)CC2)C1 ZINC000244723922 416330920 /nfs/dbraw/zinc/33/09/20/416330920.db2.gz MKBTUDNRPSPPJR-CQSZACIVSA-N 0 0 319.409 0.236 50 0 DCAARN O=C(c1ccncc1Cl)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617705 416478643 /nfs/dbraw/zinc/47/86/43/416478643.db2.gz HGIMPTNVVQLVPH-ZDUSSCGKSA-N 0 0 307.741 0.977 50 0 DCAARN Nc1n[nH]c(SCC(=O)N[C@@H]2COc3ccccc3C2)n1 ZINC000584886581 416515936 /nfs/dbraw/zinc/51/59/36/416515936.db2.gz JRQUJQMIUPARRH-VIFPVBQESA-N 0 0 305.363 0.599 50 0 DCAARN CN1CCCC[C@H](C(=O)NC2(CO)CCSCC2)C1=O ZINC000585122066 416517502 /nfs/dbraw/zinc/51/75/02/416517502.db2.gz MCFLSQOJHCFYHK-LLVKDONJSA-N 0 0 300.424 0.619 50 0 DCAARN O=C(C1CCC1)N1CCn2nc(CNc3cnccn3)cc2C1 ZINC000426425514 416768395 /nfs/dbraw/zinc/76/83/95/416768395.db2.gz VEFMKPABEXIONZ-UHFFFAOYSA-N 0 0 312.377 1.428 50 0 DCAARN Nc1n[nH]c(CCNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)n1 ZINC000426486111 416770682 /nfs/dbraw/zinc/77/06/82/416770682.db2.gz VZMSSPXYJLRQCG-SNVBAGLBSA-N 0 0 320.397 0.227 50 0 DCAARN Nc1nc(NCCNc2cccnc2)cc([C@@H]2CCOC2)n1 ZINC000426571597 416775956 /nfs/dbraw/zinc/77/59/56/416775956.db2.gz KYASYFFAMLJEAV-LLVKDONJSA-N 0 0 300.366 0.904 50 0 DCAARN CCOC[C@H]1CN(C(=O)N[C@H](C(=O)NC)C(C)C)CCO1 ZINC000527888057 417280637 /nfs/dbraw/zinc/28/06/37/417280637.db2.gz QFEBVZTYSVGEHL-NEPJUHHUSA-N 0 0 301.387 0.204 50 0 DCAARN CCn1nncc1CNC(=O)N[C@H](c1nccn1C)C1CC1 ZINC000527928414 417287319 /nfs/dbraw/zinc/28/73/19/417287319.db2.gz BUJBPQUGLNRBLN-LBPRGKRZSA-N 0 0 303.370 0.982 50 0 DCAARN CCCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000414647892 417293769 /nfs/dbraw/zinc/29/37/69/417293769.db2.gz AKGMZAXKVLRNBT-ZIAGYGMSSA-N 0 0 308.382 0.625 50 0 DCAARN Cc1conc1NC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1 ZINC000571691845 417451887 /nfs/dbraw/zinc/45/18/87/417451887.db2.gz PTBZMMYOSNABRV-KBPBESRZSA-N 0 0 315.329 1.520 50 0 DCAARN CCOc1ccc(C)cc1S(=O)(=O)NC[C@]1(O)CCOC1 ZINC000575415689 417534485 /nfs/dbraw/zinc/53/44/85/417534485.db2.gz OXGHZZQBCWDIMR-CQSZACIVSA-N 0 0 315.391 0.823 50 0 DCAARN c1nc2ncnc(N3CCN(c4cc5c(nn4)CCC5)CC3)c2[nH]1 ZINC000575606948 417539550 /nfs/dbraw/zinc/53/95/50/417539550.db2.gz HOYCWWDOSJVSNB-UHFFFAOYSA-N 0 0 322.376 0.958 50 0 DCAARN O=C(Cn1cccn1)N[C@H]1CCc2nnc(C3CC3)n2CC1 ZINC000575543705 417539854 /nfs/dbraw/zinc/53/98/54/417539854.db2.gz BTUPRTGNRRYBCC-LBPRGKRZSA-N 0 0 300.366 0.873 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 ZINC000575616950 417540763 /nfs/dbraw/zinc/54/07/63/417540763.db2.gz OOZBZRHUMHHWBP-LLVKDONJSA-N 0 0 307.375 0.993 50 0 DCAARN C[C@H](Oc1ccccc1F)C(=O)NCCN1C(=O)COC1=O ZINC000575617117 417540879 /nfs/dbraw/zinc/54/08/79/417540879.db2.gz RYGGFPDXVKWDLM-VIFPVBQESA-N 0 0 310.281 0.688 50 0 DCAARN O=C(c1nc[nH]n1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 ZINC000575619010 417540973 /nfs/dbraw/zinc/54/09/73/417540973.db2.gz ZAOXISPOGXTGKQ-LLVKDONJSA-N 0 0 324.344 0.992 50 0 DCAARN COc1ccc2nnc(CNc3ncnc4c3CCCC4)n2n1 ZINC000575618106 417541697 /nfs/dbraw/zinc/54/16/97/417541697.db2.gz ZNSHXNARKGJYKB-UHFFFAOYSA-N 0 0 311.349 1.414 50 0 DCAARN Cn1c(CO)nnc1[C@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC000299781270 229435355 /nfs/dbraw/zinc/43/53/55/229435355.db2.gz HQAPYAMMBUJIPU-LBPRGKRZSA-N 0 0 308.382 0.440 50 0 DCAARN COCCn1cnnc1[C@H](C)NC(=O)CN1CCCCCC1=O ZINC000299794730 229453977 /nfs/dbraw/zinc/45/39/77/229453977.db2.gz NIHVJBDHCAGKSX-LBPRGKRZSA-N 0 0 323.397 0.504 50 0 DCAARN O=S(=O)(NC[C@@H](CO)Cc1ccco1)N1CCCCC1 ZINC000533697485 287800475 /nfs/dbraw/zinc/80/04/75/287800475.db2.gz QRAABZNZPFSVJE-LBPRGKRZSA-N 0 0 302.396 0.751 50 0 DCAARN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H]1CSCN1)CC2 ZINC000161889283 276355699 /nfs/dbraw/zinc/35/56/99/276355699.db2.gz BVOAQLUUGHRSJE-SDDRHHMPSA-N 0 0 300.424 0.427 50 0 DCAARN CCOc1cc(C)nc(N2CCN(C(=O)c3c[nH]cn3)CC2)n1 ZINC000069564907 276369246 /nfs/dbraw/zinc/36/92/46/276369246.db2.gz NPXIDEYAMNIVML-UHFFFAOYSA-N 0 0 316.365 0.869 50 0 DCAARN CC(=O)NCc1ccc(S(=O)(=O)N2CCNC[C@@H]2C)s1 ZINC000237633151 277037974 /nfs/dbraw/zinc/03/79/74/277037974.db2.gz DGYXWIUDJOZRMG-VIFPVBQESA-N 0 0 317.436 0.367 50 0 DCAARN CC(=O)[C@@H](C)n1c(=O)c2c(nc3n(C)c(C)c(C)n32)n(C)c1=O ZINC000004314499 277094750 /nfs/dbraw/zinc/09/47/50/277094750.db2.gz ZERSFTGRSPPCRT-SECBINFHSA-N 0 0 317.349 0.453 50 0 DCAARN CC(C)[C@H]1NC(=O)[C@H]2CN(C(=O)c3cccs3)CCN2C1=O ZINC000014732177 277975664 /nfs/dbraw/zinc/97/56/64/277975664.db2.gz OAACWDUETZEIRX-ZYHUDNBSSA-N 0 0 321.402 0.556 50 0 DCAARN CC(=O)NC1=NN(C(C)=O)[C@]2(S1)c1ccccc1N(C)C2=O ZINC000000523782 278087025 /nfs/dbraw/zinc/08/70/25/278087025.db2.gz TYLBKJURLHFHIN-AWEZNQCLSA-N 0 0 318.358 0.818 50 0 DCAARN CC1=C(C(=O)OC(C)C)[C@]2(O)C(=O)c3ccccc3[C@]2(O)N1 ZINC000013471085 278488567 /nfs/dbraw/zinc/48/85/67/278488567.db2.gz SPEITRFVNOZBRU-JKSUJKDBSA-N 0 0 303.314 0.588 50 0 DCAARN Cc1nn(C)c2nc(N(C)[C@H]3CCS(=O)(=O)C3)sc12 ZINC000095508490 279207954 /nfs/dbraw/zinc/20/79/54/279207954.db2.gz HUVMIQGVVMYLIO-QMMMGPOBSA-N 0 0 300.409 0.962 50 0 DCAARN O=C(c1c[nH]c(=O)cn1)N1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000072163279 280157545 /nfs/dbraw/zinc/15/75/45/280157545.db2.gz JLKKKEKILLCNFG-UHFFFAOYSA-N 0 0 324.340 0.896 50 0 DCAARN CC[C@H]1CN(C(=O)[C@@H](CC(C)C)NS(C)(=O)=O)CCO1 ZINC000040512932 288264861 /nfs/dbraw/zinc/26/48/61/288264861.db2.gz XBVZUGOCFSLXMD-NWDGAFQWSA-N 0 0 306.428 0.588 50 0 DCAARN CCc1cc2c([nH]c(-c3cn(C)c(=O)[nH]c3=O)nc2=O)s1 ZINC000103566175 281387974 /nfs/dbraw/zinc/38/79/74/281387974.db2.gz GIKKRRHWKLWQFF-UHFFFAOYSA-N 0 0 304.331 0.601 50 0 DCAARN C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC000237129407 289134617 /nfs/dbraw/zinc/13/46/17/289134617.db2.gz UPOOBIGBDTUQHA-LBPRGKRZSA-N 0 0 310.325 0.604 50 0 DCAARN NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000071892812 295100208 /nfs/dbraw/zinc/10/02/08/295100208.db2.gz BDTMWPSIDKIBHJ-HUUCEWRRSA-N 0 0 317.389 0.536 50 0 DCAARN COc1ccc(N2C(=O)CS[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000005010681 295155216 /nfs/dbraw/zinc/15/52/16/295155216.db2.gz HQLDWLJJXXBRRN-NEPJUHHUSA-N 0 0 313.400 0.941 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)c1cc2c(s1)CCC2 ZINC000083987535 295525884 /nfs/dbraw/zinc/52/58/84/295525884.db2.gz WTTPOLXPABGQDD-UHFFFAOYSA-N 0 0 302.421 0.906 50 0 DCAARN Cc1[nH]nc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)c1Cl ZINC000299780442 302476487 /nfs/dbraw/zinc/47/64/87/302476487.db2.gz JTHFVARDDKTTDZ-VHSXEESVSA-N 0 0 322.756 0.949 50 0 DCAARN O=C(CCCn1cncn1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000534581286 334289180 /nfs/dbraw/zinc/28/91/80/334289180.db2.gz VBFDCZXTRQVVEY-UHFFFAOYSA-N 0 0 312.337 0.555 50 0 DCAARN CN(CC(=O)[O-])c1ncc(CN2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000534580929 334289231 /nfs/dbraw/zinc/28/92/31/334289231.db2.gz DIBMZSKZZKSWIC-ZDUSSCGKSA-N 0 0 305.382 0.277 50 0 DCAARN CCS(=O)(=O)NC[C@H](C)NCc1nc(C(C)(C)C)no1 ZINC000534585876 334291702 /nfs/dbraw/zinc/29/17/02/334291702.db2.gz LRNILPURYCQZDS-VIFPVBQESA-N 0 0 304.416 0.785 50 0 DCAARN Cc1nc(CC(=O)N[C@H]2COC[C@@H]2N2CCN(C)CC2)cs1 ZINC000534640897 334311067 /nfs/dbraw/zinc/31/10/67/334311067.db2.gz ZCFGOTBBJSYSNE-KBPBESRZSA-N 0 0 324.450 0.125 50 0 DCAARN CC(C)C[C@@H](NS(=O)(=O)N1CCCC1)c1ncnn1C ZINC000534655555 334313761 /nfs/dbraw/zinc/31/37/61/334313761.db2.gz LPUMSWUPYNTNFM-LLVKDONJSA-N 0 0 301.416 0.833 50 0 DCAARN CC(=O)N1CCC[C@@H](NS(=O)(=O)c2ccnn2C(C)C)C1 ZINC000534647291 334316080 /nfs/dbraw/zinc/31/60/80/334316080.db2.gz XOAGUVRSSCAFJQ-GFCCVEGCSA-N 0 0 314.411 0.753 50 0 DCAARN O=C(NCCn1ccnn1)C1(N2CCOCC2)CCCCC1 ZINC000534649363 334316980 /nfs/dbraw/zinc/31/69/80/334316980.db2.gz UKOICPMEGAMQPJ-UHFFFAOYSA-N 0 0 307.398 0.429 50 0 DCAARN CC1(C)SC[C@H](C(=O)NC2(CO)CCCCC2)NC1=O ZINC000534664800 334318483 /nfs/dbraw/zinc/31/84/83/334318483.db2.gz LRXBSUWOVGMBTG-SNVBAGLBSA-N 0 0 300.424 0.808 50 0 DCAARN O=C(COCc1nc2cc(F)ccc2[nH]1)NCCn1ccnn1 ZINC000534673825 334321490 /nfs/dbraw/zinc/32/14/90/334321490.db2.gz XNKUOGOMRGFFOK-UHFFFAOYSA-N 0 0 318.312 0.627 50 0 DCAARN CCCn1cc(C(=O)N[C@H]2COC[C@@H]2N2CCOCC2)c(C)n1 ZINC000534664259 334323292 /nfs/dbraw/zinc/32/32/92/334323292.db2.gz CDWBEQVCYIHSQD-GJZGRUSLSA-N 0 0 322.409 0.431 50 0 DCAARN COc1cc2c(cc1OC)[C@H](NC(=O)CCn1cnnn1)CC2 ZINC000583652497 336024916 /nfs/dbraw/zinc/02/49/16/336024916.db2.gz BBNNRBNGMAZFTF-GFCCVEGCSA-N 0 0 317.349 0.884 50 0 DCAARN Cn1cc(NC(=O)CCc2cncc(F)c2)c(=O)n(C)c1=O ZINC000097102174 337382324 /nfs/dbraw/zinc/38/23/24/337382324.db2.gz MLVRYLXECDYFES-UHFFFAOYSA-N 0 0 306.297 0.189 50 0 DCAARN O=C(CCN1CCCS1(=O)=O)NCc1ccn2ccnc2c1 ZINC000178362434 341952428 /nfs/dbraw/zinc/95/24/28/341952428.db2.gz ILKUVDIXPPMXAZ-UHFFFAOYSA-N 0 0 322.390 0.376 50 0 DCAARN CN1CCO[C@H](C(=O)N[C@H](C[S@](C)=O)c2ccccc2)C1 ZINC000245408307 523947693 /nfs/dbraw/zinc/94/76/93/523947693.db2.gz GOTSNOMZBXSYGM-YPENRWOSSA-N 0 0 310.419 0.553 50 0 DCAARN CC(=O)N1CCO[C@@H](CNC(=O)c2ccn(C(F)F)n2)C1 ZINC000299786848 526638897 /nfs/dbraw/zinc/63/88/97/526638897.db2.gz XZTRLHBOBMUXMA-VIFPVBQESA-N 0 0 302.281 0.255 50 0 DCAARN CC(C)(C)c1ccc(C(=O)NCC(=O)N2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000408515241 526765029 /nfs/dbraw/zinc/76/50/29/526765029.db2.gz NLJRRTLRAJKOBE-OKILXGFUSA-N 0 0 320.389 0.278 50 0 DCAARN CCCN1CCCN(C(=O)N[C@H]2CC[S@](=O)C2)CC1=O ZINC000390832882 528212754 /nfs/dbraw/zinc/21/27/54/528212754.db2.gz OZKNPGBJWWBOJH-YBTHPKLGSA-N 0 0 301.412 0.161 50 0 DCAARN Cc1cc2ncc3c(n2n1)CCN(C(=O)Cn1ncccc1=O)C3 ZINC000206952105 545936708 /nfs/dbraw/zinc/93/67/08/545936708.db2.gz KFHIHWAMLOUFFN-UHFFFAOYSA-N 0 0 324.344 0.179 50 0 DCAARN COc1ccccc1N1C[C@@H](NC(=O)c2cn[nH]c2)CC1=O ZINC000215838107 545939175 /nfs/dbraw/zinc/93/91/75/545939175.db2.gz YVEHVKIWCYROGB-NSHDSACASA-N 0 0 300.318 0.954 50 0 DCAARN COc1ccc(C(=O)CCC(=O)N[C@@H](C)c2nc(=O)[nH][nH]2)cc1 ZINC000215897449 545939194 /nfs/dbraw/zinc/93/91/94/545939194.db2.gz YBCJBNJIURJUEQ-VIFPVBQESA-N 0 0 318.333 0.947 50 0 DCAARN Cc1nnnn1CCC(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 ZINC000222676007 545941611 /nfs/dbraw/zinc/94/16/11/545941611.db2.gz KTNJLVLSSUNLMT-OLZOCXBDSA-N 0 0 309.370 0.072 50 0 DCAARN Cc1nc2c(c(=O)[nH]1)CN(C(=O)NC[C@@H](C)N1CCOCC1)C2 ZINC000670448969 547094971 /nfs/dbraw/zinc/09/49/71/547094971.db2.gz NYLPTFHWPQQJFN-SNVBAGLBSA-N 0 0 321.381 0.237 50 0 DCAARN Cn1ccn2ncc(C(=O)NCCSc3nncn3C)c12 ZINC000670452439 547095926 /nfs/dbraw/zinc/09/59/26/547095926.db2.gz NEEKYHAARVJDDX-UHFFFAOYSA-N 0 0 305.367 0.323 50 0 DCAARN NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)CSc1nnc(N)s1 ZINC000670456639 547097266 /nfs/dbraw/zinc/09/72/66/547097266.db2.gz WHZPRIPTHVPEIP-RNFRBKRXSA-N 0 0 313.408 0.149 50 0 DCAARN CN(CCS(C)(=O)=O)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000670461346 547098374 /nfs/dbraw/zinc/09/83/74/547098374.db2.gz CYRJLZSKAXTJTP-LBPRGKRZSA-N 0 0 302.440 0.754 50 0 DCAARN Cc1nn(CCC(=O)NC2CCS(=O)(=O)CC2)c(C)c1C ZINC000670467203 547100176 /nfs/dbraw/zinc/10/01/76/547100176.db2.gz LVXGJUOVLCDHAJ-UHFFFAOYSA-N 0 0 313.423 0.892 50 0 DCAARN Cc1nc2ncccn2c1C(=O)NC1CCS(=O)(=O)CC1 ZINC000670471967 547101067 /nfs/dbraw/zinc/10/10/67/547101067.db2.gz YYOUWOFUWFJBSU-UHFFFAOYSA-N 0 0 308.363 0.345 50 0 DCAARN O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1ccc(CO)cc1 ZINC000685941760 548747006 /nfs/dbraw/zinc/74/70/06/548747006.db2.gz IDJFDQAXOCUVSU-UONOGXRCSA-N 0 0 303.318 0.478 50 0 DCAARN Cn1cncc1CCC(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 ZINC000685942386 548748396 /nfs/dbraw/zinc/74/83/96/548748396.db2.gz OSGTYTJTNZNMNL-QWHCGFSZSA-N 0 0 305.338 0.038 50 0 DCAARN O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000170061293 563903230 /nfs/dbraw/zinc/90/32/30/563903230.db2.gz LTRQIRMFBYLGAU-CKEIUWERSA-N 0 0 322.405 0.699 50 0 DCAARN Cc1cnn(C[C@H](C)NC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c1 ZINC000888093122 661153738 /nfs/dbraw/zinc/15/37/38/661153738.db2.gz RTOYYGSLLHCUTC-BFHYXJOUSA-N 0 0 319.409 0.842 50 0 DCAARN C[C@H](NC(=O)[C@@H]1CCCC(=O)N1)c1ccc(-c2nn[nH]n2)cc1 ZINC000888093777 661157605 /nfs/dbraw/zinc/15/76/05/661157605.db2.gz QDUUXUUMYIHKRN-CABZTGNLSA-N 0 0 314.349 0.713 50 0 DCAARN CN(C)c1cnccc1NC(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000888100326 661178728 /nfs/dbraw/zinc/17/87/28/661178728.db2.gz UYCOEPICBXWHDS-CYBMUJFWSA-N 0 0 317.393 0.844 50 0 DCAARN N#Cc1cccnc1N1CC[C@@]2(C1)CCCN(CCO)C2=O ZINC000092045720 657899703 /nfs/dbraw/zinc/89/97/03/657899703.db2.gz UVSYYHYXBFRUHI-MRXNPFEDSA-N 0 0 300.362 0.764 50 0 DCAARN CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCO[C@@H](C)C2)cc1 ZINC000026063112 662454521 /nfs/dbraw/zinc/45/45/21/662454521.db2.gz SDYRAOOWMBEILU-ZCRIDZFUSA-N 0 0 324.402 0.855 50 0 DCAARN O=C([O-])C[NH+]1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 ZINC000067851284 665333628 /nfs/dbraw/zinc/33/36/28/665333628.db2.gz NOZJZCFNORYEHT-UHFFFAOYSA-N 0 0 316.361 0.884 50 0 DCAARN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CCOCCN2)C1 ZINC000874435097 668186687 /nfs/dbraw/zinc/18/66/87/668186687.db2.gz LKPJNPMZBUPHCY-LLVKDONJSA-N 0 0 314.386 0.542 50 0 DCAARN NC(=O)CN1CCC(NS(=O)(=O)CC2CCCC2)CC1 ZINC000762962120 668387923 /nfs/dbraw/zinc/38/79/23/668387923.db2.gz IXPXYHWNBKNRGU-UHFFFAOYSA-N 0 0 303.428 0.046 50 0 DCAARN COC(=O)N[C@H](C)C(=O)N1CCCN(C(=O)C2(C)CC2)CC1 ZINC001772701367 1157840341 /nfs/dbraw/zinc/84/03/41/1157840341.db2.gz LEINTMLTGXXZBD-LLVKDONJSA-N 0 0 311.382 0.592 50 0 DCAARN O=C(c1cc(=O)cc[nH]1)N1CCN(c2ccc(F)cn2)CC1 ZINC000928996610 668642958 /nfs/dbraw/zinc/64/29/58/668642958.db2.gz YKDLWJKKIHXBSJ-UHFFFAOYSA-N 0 0 302.309 0.871 50 0 DCAARN COCCSc1nc2cc(S(N)(=O)=O)ccc2n1C ZINC000952961867 685597971 /nfs/dbraw/zinc/59/79/71/685597971.db2.gz QHBLTDBJSOQRLO-UHFFFAOYSA-N 0 0 301.393 0.959 50 0 DCAARN Cn1nccc1C(=O)NCC[C@H]1CCCCN1S(C)(=O)=O ZINC000952981048 685600624 /nfs/dbraw/zinc/60/06/24/685600624.db2.gz LVNONHZEWFTIEV-LLVKDONJSA-N 0 0 314.411 0.354 50 0 DCAARN CC1CC(CS(=O)(=O)N2CCC[C@H](N3CCNC3=O)C2)C1 ZINC000952995778 685603705 /nfs/dbraw/zinc/60/37/05/685603705.db2.gz YNWGSXLGRSZRRN-BPCQOVAHSA-N 0 0 315.439 0.852 50 0 DCAARN O=[N+]([O-])C(C(Cl)=C(Cl)N1CCOCC1)=C1NCCN1 ZINC000000826921 685047304 /nfs/dbraw/zinc/04/73/04/685047304.db2.gz DPQNKDXZWSYIOG-VQHVLOKHSA-N 0 0 309.153 0.604 50 0 DCAARN O=C1[C@@H]2CCCN2C(=O)[C@H]2CN(Cc3cccc(F)c3)CCN12 ZINC000014749456 685049138 /nfs/dbraw/zinc/04/91/38/685049138.db2.gz MZINYJGBZORLQB-LSDHHAIUSA-N 0 0 317.364 0.843 50 0 DCAARN CCCCN1c2ccccc2[C@](O)(c2sc(N)nc2O)C1=O ZINC000017878403 685052109 /nfs/dbraw/zinc/05/21/09/685052109.db2.gz WRKNGODCNDMGIS-ABAIWWIYSA-N 0 0 319.386 0.978 50 0 DCAARN Cc1nc([C@@H]2CCCN(C)C2)cc(N2CCS(=O)(=O)CC2)n1 ZINC000063885085 685062718 /nfs/dbraw/zinc/06/27/18/685062718.db2.gz ZQQNMXAVXDALEQ-CYBMUJFWSA-N 0 0 324.450 0.829 50 0 DCAARN O=C(c1ccc2nccnc2c1)N1CCC([C@@H](O)CO)CC1 ZINC001772710909 1157848420 /nfs/dbraw/zinc/84/84/20/1157848420.db2.gz TUALHZHTBKLJKL-HNNXBMFYSA-N 0 0 301.346 0.835 50 0 DCAARN O=C(c1ccc2c(c1)OCC(=O)N2)N1CCC([C@H](O)CO)CC1 ZINC001772712570 1157849426 /nfs/dbraw/zinc/84/94/26/1157849426.db2.gz SSSYQDBORWUIAX-CYBMUJFWSA-N 0 0 320.345 0.223 50 0 DCAARN Cc1nc(CN(CCO)C(=O)c2cnn3ccn(C)c23)c[nH]1 ZINC001704307482 1179967862 /nfs/dbraw/zinc/96/78/62/1179967862.db2.gz HFVZDDRFLWJNGY-UHFFFAOYSA-N 0 0 302.338 0.339 50 0 DCAARN CN1C[C@H]2COC[C@@H]1CN(S(=O)(=O)Cc1ccccc1)C2 ZINC001704313001 1179969878 /nfs/dbraw/zinc/96/98/78/1179969878.db2.gz DICIJISTIUMMGQ-CABCVRRESA-N 0 0 310.419 0.779 50 0 DCAARN CO[C@H]1CN(CCS(C)(=O)=O)C[C@H]1Cc1cc(C)no1 ZINC001704311577 1179970097 /nfs/dbraw/zinc/97/00/97/1179970097.db2.gz CMKCOFSJEJWXDG-YPMHNXCESA-N 0 0 302.396 0.517 50 0 DCAARN Cc1cc(C[C@@H]2CN(c3cncc(N(C)C)n3)C[C@H]2O)on1 ZINC001704326065 1179974221 /nfs/dbraw/zinc/97/42/21/1179974221.db2.gz VJYMCXQLTBDGHW-DGCLKSJQSA-N 0 0 303.366 0.879 50 0 DCAARN COCc1noc(CN2C[C@@H](Cc3ccccn3)[C@H](O)C2)n1 ZINC001704338535 1179977083 /nfs/dbraw/zinc/97/70/83/1179977083.db2.gz FLMDJAURQLLLMF-DGCLKSJQSA-N 0 0 304.350 0.646 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)CCc3ccnn3C)C[C@H]2O)on1 ZINC001704339144 1179979184 /nfs/dbraw/zinc/97/91/84/1179979184.db2.gz FBWXIENXFSJGGP-IUODEOHRSA-N 0 0 318.377 0.711 50 0 DCAARN CNc1ncc(C(=O)N2C[C@@H](Cc3cc(C)n[nH]3)[C@H](O)C2)cn1 ZINC001704345422 1179980288 /nfs/dbraw/zinc/98/02/88/1179980288.db2.gz XTGJNRJTYZTBRZ-ZWNOBZJWSA-N 0 0 316.365 0.225 50 0 DCAARN CNc1ncc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cn1 ZINC001704345077 1179980756 /nfs/dbraw/zinc/98/07/56/1179980756.db2.gz VQCKBSVDKKUOOX-OCCSQVGLSA-N 0 0 313.361 0.901 50 0 DCAARN Cn1nccc1CCC(=O)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704348437 1179981742 /nfs/dbraw/zinc/98/17/42/1179981742.db2.gz NCOMYPCURYOCND-IUODEOHRSA-N 0 0 315.377 0.205 50 0 DCAARN Cc1ccc(C(=O)NCCC(=O)NCc2nc(N)n[nH]2)cc1 ZINC001704349325 1179981750 /nfs/dbraw/zinc/98/17/50/1179981750.db2.gz FZSMYFQVMLYUSN-UHFFFAOYSA-N 0 0 302.338 0.132 50 0 DCAARN COCCN(C)CC(=O)N1CC(Oc2cccc(OC)c2)C1 ZINC001704354579 1179983151 /nfs/dbraw/zinc/98/31/51/1179983151.db2.gz GTHPZVKXTWXUGR-UHFFFAOYSA-N 0 0 308.378 0.863 50 0 DCAARN CCc1ncc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)cn1 ZINC001704352274 1179983464 /nfs/dbraw/zinc/98/34/64/1179983464.db2.gz AOEOHQHDMDFNLG-BXUZGUMPSA-N 0 0 313.361 0.505 50 0 DCAARN O=C(N[C@H]1COC[C@H]1Cc1ccncc1)C(=O)N1CCCC1 ZINC001704360447 1179985909 /nfs/dbraw/zinc/98/59/09/1179985909.db2.gz YWTHEIFBKRWJOW-KGLIPLIRSA-N 0 0 303.362 0.378 50 0 DCAARN O=C(NCCn1cccnc1=O)c1ccc2nsnc2c1 ZINC000675008000 748024710 /nfs/dbraw/zinc/02/47/10/748024710.db2.gz LKLKLOISLFAWRK-UHFFFAOYSA-N 0 0 301.331 0.678 50 0 DCAARN CCn1ccc(C(=O)N2CC[C@H](n3cc(COC)nn3)C2)n1 ZINC000675017732 748026318 /nfs/dbraw/zinc/02/63/18/748026318.db2.gz GBEGCWXIZRZKMW-LBPRGKRZSA-N 0 0 304.354 0.728 50 0 DCAARN CC(=O)N[C@@H](c1nc(CC(N)=O)nn1-c1cccnc1)C(C)C ZINC000820575477 758146786 /nfs/dbraw/zinc/14/67/86/758146786.db2.gz RUCJUMTZWHWTSA-CQSZACIVSA-N 0 0 316.365 0.523 50 0 DCAARN CCCS(=O)(=O)NC[C@H](c1ccccn1)N1CCOCC1 ZINC000822993532 758216997 /nfs/dbraw/zinc/21/69/97/758216997.db2.gz DXSGHTZWOUIYLO-CQSZACIVSA-N 0 0 313.423 0.784 50 0 DCAARN CO[C@H]1COC[C@@H]1NC(=O)c1ccc2c(c1)ncn(C)c2=O ZINC000824506541 758777688 /nfs/dbraw/zinc/77/76/88/758777688.db2.gz IDFORODZFJWTJS-STQMWFEESA-N 0 0 303.318 0.077 50 0 DCAARN Cc1cc(C)n(CCC(=O)NCCn2c(C)cc(C)nc2=O)n1 ZINC000827822456 758887142 /nfs/dbraw/zinc/88/71/42/758887142.db2.gz SCXJNUFQSCWDMS-UHFFFAOYSA-N 0 0 317.393 0.880 50 0 DCAARN Cn1cncc1CCNC(=O)[C@H]1COCCN1CC1CCC1 ZINC000585083089 766268600 /nfs/dbraw/zinc/26/86/00/766268600.db2.gz RIHSXAOPMNTART-OAHLLOKOSA-N 0 0 306.410 0.580 50 0 DCAARN CCc1ccccc1S(=O)(=O)NC[C@H]1CN2CCN1CCC2 ZINC000585115207 766284050 /nfs/dbraw/zinc/28/40/50/766284050.db2.gz RCDZCQVAFJCDCO-HNNXBMFYSA-N 0 0 323.462 0.917 50 0 DCAARN CC(C)C[C@H](C)OC(=O)N1CCN2CCS(=O)(=O)C[C@@H]2C1 ZINC000585115373 766284899 /nfs/dbraw/zinc/28/48/99/766284899.db2.gz YAAUNZNULMSJEE-STQMWFEESA-N 0 0 318.439 0.972 50 0 DCAARN CCOC(=O)c1c(NC(=O)CN(C)S(C)(=O)=O)ccn1C ZINC000585125353 766287981 /nfs/dbraw/zinc/28/79/81/766287981.db2.gz OYGUKUDEOOSZDG-UHFFFAOYSA-N 0 0 317.367 0.032 50 0 DCAARN Cc1nc(NC(=O)CCS(C)(=O)=O)nn1-c1ccccc1 ZINC000585124791 766288338 /nfs/dbraw/zinc/28/83/38/766288338.db2.gz RZJHZMRFFTZBAI-UHFFFAOYSA-N 0 0 308.363 0.949 50 0 DCAARN O=C(c1ccc(O)c(F)c1)N1CCN(CC(F)(F)CO)CC1 ZINC000585127305 766289826 /nfs/dbraw/zinc/28/98/26/766289826.db2.gz WNZFVAUKUGKAQT-UHFFFAOYSA-N 0 0 318.295 0.917 50 0 DCAARN CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2COC(=O)C2)C12CCOCC2 ZINC000585137752 766293701 /nfs/dbraw/zinc/29/37/01/766293701.db2.gz RUORYJANXFIBRZ-QJPTWQEYSA-N 0 0 312.366 0.575 50 0 DCAARN CCc1ccc(C(=O)N(C)Cc2nnc3n2CCNC3=O)cc1 ZINC000952880194 768945876 /nfs/dbraw/zinc/94/58/76/768945876.db2.gz BYCHZGKPXUWCGF-UHFFFAOYSA-N 0 0 313.361 0.856 50 0 DCAARN C=CS(=O)(=O)CCC(=O)Nc1ccc(-c2nnnn2C)cc1 ZINC000952882110 768948929 /nfs/dbraw/zinc/94/89/29/768948929.db2.gz UDEPQPVERTVKNE-UHFFFAOYSA-N 0 0 321.362 0.764 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)N2CC(c3ccccn3)C2)c[nH]1 ZINC000952884257 768952113 /nfs/dbraw/zinc/95/21/13/768952113.db2.gz WLNRASGVASEDNM-UHFFFAOYSA-N 0 0 321.358 0.984 50 0 DCAARN O=C(c1ccncc1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000238949863 769756104 /nfs/dbraw/zinc/75/61/04/769756104.db2.gz WUAPFXPKOPKOAA-KBPBESRZSA-N 0 0 311.341 0.857 50 0 DCAARN CN1C(=O)[C@@H](Cc2ncnn2CCc2ccccc2)N(C)C1=O ZINC000885939077 775066165 /nfs/dbraw/zinc/06/61/65/775066165.db2.gz QNETUCSMCRUTFP-CYBMUJFWSA-N 0 0 313.361 0.956 50 0 DCAARN COCC[N@@H+]1CC[C@H](CN(C)c2nc(C)cc(C(=O)[O-])n2)C1 ZINC001529115091 1014499470 /nfs/dbraw/zinc/49/94/70/1014499470.db2.gz YFXUOGWLFKEGPG-GFCCVEGCSA-N 0 0 308.382 0.888 50 0 DCAARN CC1(C)S[C@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)N[C@@H]1C(=O)[O-] ZINC001529490658 1014558316 /nfs/dbraw/zinc/55/83/16/1014558316.db2.gz PIIGZYMBHCDKIJ-GRYCIOLGSA-N 0 0 323.418 0.697 50 0 DCAARN Cc1nc(S(=O)(=O)N2CCNC(=O)C23CCCC3)cn1C ZINC001506427070 1017269023 /nfs/dbraw/zinc/26/90/23/1017269023.db2.gz WPWKBXRQWQJMJM-UHFFFAOYSA-N 0 0 312.395 0.162 50 0 DCAARN CN1C[C@@H](CNc2cc(N3CCCCC3)ncn2)OCC1=O ZINC001506427545 1017269738 /nfs/dbraw/zinc/26/97/38/1017269738.db2.gz KQFWTKMHEXVVRX-GFCCVEGCSA-N 0 0 305.382 0.736 50 0 DCAARN CN(C[C@@H]1CCCCO1)C(=O)CN1C(=O)COc2cccnc21 ZINC000095518569 185376951 /nfs/dbraw/zinc/37/69/51/185376951.db2.gz FZAKRWUWZYTMJD-LBPRGKRZSA-N 0 0 319.361 0.835 50 0 DCAARN COc1cccn(CC(=O)N(C)CCc2cnn(C)c2)c1=O ZINC000095520551 185377138 /nfs/dbraw/zinc/37/71/38/185377138.db2.gz RRYXXDDQAJJXEV-UHFFFAOYSA-N 0 0 304.350 0.292 50 0 DCAARN O=C(Cn1ncc(N2CCCC2)cc1=O)N1CCSCC1 ZINC000095520900 185377277 /nfs/dbraw/zinc/37/72/77/185377277.db2.gz ATTPIRBENBAMNO-UHFFFAOYSA-N 0 0 308.407 0.419 50 0 DCAARN CN(Cc1noc2c1CCCC2)C(=O)CN1C(=O)CCNC1=O ZINC000095523923 185377815 /nfs/dbraw/zinc/37/78/15/185377815.db2.gz GLMIHDAUJJNAMY-UHFFFAOYSA-N 0 0 320.349 0.454 50 0 DCAARN COc1ccc2c(c1)nc(CN1CCN(CCO)CC1)n2C ZINC000095548126 185379376 /nfs/dbraw/zinc/37/93/76/185379376.db2.gz VCMMVQKUGBSFGG-UHFFFAOYSA-N 0 0 304.394 0.692 50 0 DCAARN COC(=O)[C@@H](C)NC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000163139808 197613387 /nfs/dbraw/zinc/61/33/87/197613387.db2.gz USHMHJXQIQYLRB-LLVKDONJSA-N 0 0 315.329 0.588 50 0 DCAARN CSC[C@@H](C)C(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000079310573 185164484 /nfs/dbraw/zinc/16/44/84/185164484.db2.gz WBXAEXVNXDHOQU-LLVKDONJSA-N 0 0 306.497 0.945 50 0 DCAARN COCCCCC(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000079310555 185164562 /nfs/dbraw/zinc/16/45/62/185164562.db2.gz BRDYUWGCGLZOPM-UHFFFAOYSA-N 0 0 304.456 0.762 50 0 DCAARN O=C(CNC(=O)c1cnccn1)NCCn1ccc2ccccc21 ZINC000079480026 185173447 /nfs/dbraw/zinc/17/34/47/185173447.db2.gz OTVJQQKMWIBKRY-UHFFFAOYSA-N 0 0 323.356 0.978 50 0 DCAARN CC[C@H]1CN(C(=O)NCc2ccc(-n3cncn3)nc2)CCO1 ZINC000089949256 185271172 /nfs/dbraw/zinc/27/11/72/185271172.db2.gz WXBFMYUFFZTAQS-ZDUSSCGKSA-N 0 0 316.365 0.983 50 0 DCAARN C[C@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)CNC(N)=O ZINC000082120474 192358085 /nfs/dbraw/zinc/35/80/85/192358085.db2.gz XFXBFQGYDPIWIB-VIFPVBQESA-N 0 0 324.768 0.572 50 0 DCAARN COCCN(C)CC(=O)N1CCN(c2ccccc2C)C(=O)C1 ZINC000082121958 192359666 /nfs/dbraw/zinc/35/96/66/192359666.db2.gz PYZUODBVXLQBRS-UHFFFAOYSA-N 0 0 319.405 0.748 50 0 DCAARN [NH3+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)CCC(=O)c2ccc(F)cc2)C1 ZINC000082125854 192359964 /nfs/dbraw/zinc/35/99/64/192359964.db2.gz VSJZJYRFFLGGRW-RYUDHWBXSA-N 0 0 308.309 0.801 50 0 DCAARN CCCS(=O)(=O)CCN1Cc2ccccc2C[C@H]1C(N)=O ZINC000095429866 185362508 /nfs/dbraw/zinc/36/25/08/185362508.db2.gz DKDAZEQUQCOJEV-AWEZNQCLSA-N 0 0 310.419 0.723 50 0 DCAARN Cn1cnn(CC(=O)N[C@@H](c2ccccc2)c2cccnc2)c1=O ZINC000181525241 199310476 /nfs/dbraw/zinc/31/04/76/199310476.db2.gz DOVXFFYVTHTFEE-INIZCTEOSA-N 0 0 323.356 0.883 50 0 DCAARN COC1(C)CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C1 ZINC000095453056 185369628 /nfs/dbraw/zinc/36/96/28/185369628.db2.gz CYADZWXJAGYJNU-CYBMUJFWSA-N 0 0 316.361 0.354 50 0 DCAARN Cc1cc(NC(=O)CN(C)Cc2ccnc(N(C)C)n2)on1 ZINC000095462493 185371191 /nfs/dbraw/zinc/37/11/91/185371191.db2.gz XEODXZSIEFQLAV-UHFFFAOYSA-N 0 0 304.354 0.910 50 0 DCAARN NS(=O)(=O)c1ccnc(N2CCC(c3ncc[nH]3)CC2)c1 ZINC000095467703 185372218 /nfs/dbraw/zinc/37/22/18/185372218.db2.gz PSNRCVKCBJYYAC-UHFFFAOYSA-N 0 0 307.379 0.836 50 0 DCAARN COC(=O)c1ccc(CNC(=O)Cn2ccccc2=O)cc1 ZINC000017477484 190644412 /nfs/dbraw/zinc/64/44/12/190644412.db2.gz MOAFUONJGXIBSF-UHFFFAOYSA-N 0 0 300.314 0.951 50 0 DCAARN Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000037009262 545645755 /nfs/dbraw/zinc/64/57/55/545645755.db2.gz AJWXSDHMNYBGKL-UHFFFAOYSA-N 0 0 305.359 0.967 50 0 DCAARN Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CC(=O)N(C)C1=O ZINC000225830253 201752503 /nfs/dbraw/zinc/75/25/03/201752503.db2.gz IATYHGXIQZOUKO-VIFPVBQESA-N 0 0 316.766 0.684 50 0 DCAARN NC(=O)Cn1c(=O)cccc1C(=O)NCc1ccc(F)cc1F ZINC000064755219 190703747 /nfs/dbraw/zinc/70/37/47/190703747.db2.gz DGEBYSODIYXLSW-UHFFFAOYSA-N 0 0 321.283 0.542 50 0 DCAARN Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1Cc1cccnc1 ZINC000170624214 197794121 /nfs/dbraw/zinc/79/41/21/197794121.db2.gz FMLDHQLEDOQWCD-UHFFFAOYSA-N 0 0 310.317 0.428 50 0 DCAARN CC(C)c1noc(OCC(=O)N2CCN(C(=O)C3CC3)CC2)n1 ZINC000069771419 190815108 /nfs/dbraw/zinc/81/51/08/190815108.db2.gz WMCLWWWFDSDXFN-UHFFFAOYSA-N 0 0 322.365 0.653 50 0 DCAARN CN(C)C(=O)c1cncc(N2CCO[C@@H](C(F)(F)F)C2)n1 ZINC000071662663 191000307 /nfs/dbraw/zinc/00/03/07/191000307.db2.gz UVSOYEFGJKLXFJ-SECBINFHSA-N 0 0 304.272 0.946 50 0 DCAARN CC[C@H](CO)Nc1ccnc(C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000071712043 191011052 /nfs/dbraw/zinc/01/10/52/191011052.db2.gz DPKHKBQMJPHCRU-YPMHNXCESA-N 0 0 320.393 0.663 50 0 DCAARN CN(C)Cc1nnc(C(=O)N(C)Cc2ccc3nonc3c2)o1 ZINC000071721395 191013991 /nfs/dbraw/zinc/01/39/91/191013991.db2.gz MOWIIATYELBGGM-UHFFFAOYSA-N 0 0 316.321 0.940 50 0 DCAARN Cc1nn(C)cc1NC(=O)CN1CCO[C@H](C(F)(F)F)C1 ZINC000071752053 191023425 /nfs/dbraw/zinc/02/34/25/191023425.db2.gz MYJDBEHOEOPXOF-JTQLQIEISA-N 0 0 306.288 0.930 50 0 DCAARN O=C(c1cnc2cc(Cl)ccc2c1O)N1CC[C@H](O)[C@@H](O)C1 ZINC000072144820 191050770 /nfs/dbraw/zinc/05/07/70/191050770.db2.gz CUJPNSASKANDPH-STQMWFEESA-N 0 0 322.748 0.749 50 0 DCAARN O=C(CN1CCc2ccccc2C1)N1CC[C@H](CO)[C@@H](O)C1 ZINC000072151523 191056016 /nfs/dbraw/zinc/05/60/16/191056016.db2.gz WLVPYNIJYHLFBA-CVEARBPZSA-N 0 0 304.390 0.246 50 0 DCAARN CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 ZINC000072151114 191056604 /nfs/dbraw/zinc/05/66/04/191056604.db2.gz QEFFSSCOWJLHFY-LBPRGKRZSA-N 0 0 313.760 0.916 50 0 DCAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@](O)(CO)C2)c1C ZINC000072157769 191060457 /nfs/dbraw/zinc/06/04/57/191060457.db2.gz YOULCGJYRPEODU-MRXNPFEDSA-N 0 0 324.377 0.768 50 0 DCAARN CN1C[C@]2(CCN(C(=O)Cc3cn4ccsc4n3)C2)OC1=O ZINC000072165453 191065199 /nfs/dbraw/zinc/06/51/99/191065199.db2.gz XVVMBUFSCXLITN-AWEZNQCLSA-N 0 0 320.374 0.991 50 0 DCAARN CN1C[C@]2(CCN(C(=O)c3cnc4c(c3)nnn4C)C2)OC1=O ZINC000072168264 191067165 /nfs/dbraw/zinc/06/71/65/191067165.db2.gz BPOBOPFRKOCGFJ-AWEZNQCLSA-N 0 0 316.321 0.030 50 0 DCAARN CC(C)c1cc(C(=O)N2CCc3c(=O)[nH]cnc3C2)n(C)n1 ZINC000072173965 191069270 /nfs/dbraw/zinc/06/92/70/191069270.db2.gz SYFRJZKBBLDVFV-UHFFFAOYSA-N 0 0 301.350 0.825 50 0 DCAARN Cc1n[nH]c(C)c1CCC(=O)N1CCc2c(nc[nH]c2=O)C1 ZINC000072171254 191069644 /nfs/dbraw/zinc/06/96/44/191069644.db2.gz BXHOJKVSJKROJO-UHFFFAOYSA-N 0 0 301.350 0.627 50 0 DCAARN CC(C)CS(=O)(=O)CC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000072234901 191079064 /nfs/dbraw/zinc/07/90/64/191079064.db2.gz LAATTZHUWFEDEZ-LBPRGKRZSA-N 0 0 314.411 0.512 50 0 DCAARN Cn1nnnc1-c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000072239329 191083013 /nfs/dbraw/zinc/08/30/13/191083013.db2.gz DMKKZZZCHWVJNI-UHFFFAOYSA-N 0 0 314.349 0.215 50 0 DCAARN COc1c(Br)c(C(=O)N2CCOCC2)nn1C ZINC000072242479 191085707 /nfs/dbraw/zinc/08/57/07/191085707.db2.gz JSTNOWWXNWIAHD-UHFFFAOYSA-N 0 0 304.144 0.664 50 0 DCAARN CC(C)N1C[C@H](NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)CC1=O ZINC000072293228 191109282 /nfs/dbraw/zinc/10/92/82/191109282.db2.gz LYJJMYBNRKQTCC-WDEREUQCSA-N 0 0 312.414 0.598 50 0 DCAARN CS(=O)(=O)NCC(=O)N1CCC[C@H]1c1noc(C2CC2)n1 ZINC000072299510 191113741 /nfs/dbraw/zinc/11/37/41/191113741.db2.gz PAJVVLCIBTZUSD-VIFPVBQESA-N 0 0 314.367 0.160 50 0 DCAARN Cc1c(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)nnn1CC1CCCC1 ZINC000286678658 186579521 /nfs/dbraw/zinc/57/95/21/186579521.db2.gz DVLWNANOAZZWKK-NEPJUHHUSA-N 0 0 323.372 0.815 50 0 DCAARN COCCN1C[C@@H](C(=O)N2CCC(c3ncc[nH]3)CC2)CC1=O ZINC000072418329 191156519 /nfs/dbraw/zinc/15/65/19/191156519.db2.gz CGJURKDDIPSBBX-ZDUSSCGKSA-N 0 0 320.393 0.611 50 0 DCAARN CCCN1C(=O)CC[C@H]2CN(C(=O)CCn3cncn3)CC[C@H]21 ZINC000072422803 191159008 /nfs/dbraw/zinc/15/90/08/191159008.db2.gz QWRAHTFCNCMMSD-UONOGXRCSA-N 0 0 319.409 0.918 50 0 DCAARN CN(Cc1[nH]nc2c1CCC2)C(=O)[C@H]1NCCc2nc[nH]c21 ZINC000072473942 191177661 /nfs/dbraw/zinc/17/76/61/191177661.db2.gz MKJQHLCEKVOLKL-AWEZNQCLSA-N 0 0 300.366 0.467 50 0 DCAARN Cn1ncc(Br)c1C(=O)N[C@@H]1CCSC1=O ZINC000000204766 180724648 /nfs/dbraw/zinc/72/46/48/180724648.db2.gz HWQCZVWUOSMNFE-ZCFIWIBFSA-N 0 0 304.169 0.945 50 0 DCAARN Cn1ncc(Br)c1C(=O)N[C@H]1CCSC1=O ZINC000000204764 180724726 /nfs/dbraw/zinc/72/47/26/180724726.db2.gz HWQCZVWUOSMNFE-LURJTMIESA-N 0 0 304.169 0.945 50 0 DCAARN NC(=O)CCNC(=O)COc1ccc(Br)cc1 ZINC000173020889 198178035 /nfs/dbraw/zinc/17/80/35/198178035.db2.gz PLPVAHYODUOPND-UHFFFAOYSA-N 0 0 301.140 0.820 50 0 DCAARN CCS(=O)(=O)C[C@H](C)NC(=O)c1cc2c(cc1O)OCO2 ZINC000084811055 545705158 /nfs/dbraw/zinc/70/51/58/545705158.db2.gz UOTKEAKPRPEYMC-QMMMGPOBSA-N 0 0 315.347 0.674 50 0 DCAARN CC(C)C[C@@H](NC(=O)[C@@H](O)[C@H]([NH3+])Cc1ccccc1)C(=O)[O-] ZINC000001532730 180871264 /nfs/dbraw/zinc/87/12/64/180871264.db2.gz VGGGPCQERPFHOB-MCIONIFRSA-N 0 0 308.378 0.533 50 0 in-man DCAARN Nc1nnc(CCOCCOCCc2nnc(N)s2)s1 ZINC000002176718 180914295 /nfs/dbraw/zinc/91/42/95/180914295.db2.gz AWBMPQLOZMYOPD-UHFFFAOYSA-N 0 0 316.412 0.372 50 0 DCAARN O=C(NCCNS(=O)(=O)c1ccccc1)N1CCOCC1 ZINC000002497745 180927921 /nfs/dbraw/zinc/92/79/21/180927921.db2.gz QWNPKZGGYUCYOZ-UHFFFAOYSA-N 0 0 313.379 0.007 50 0 DCAARN CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1ccc(F)cc1 ZINC000002499418 180928018 /nfs/dbraw/zinc/92/80/18/180928018.db2.gz XEMYKTUMLKOSGA-GFCCVEGCSA-N 0 0 316.354 0.704 50 0 DCAARN CNC(=O)CNC(=O)NCc1cc(N(C)C)nc2ccccc12 ZINC000174366035 198325335 /nfs/dbraw/zinc/32/53/35/198325335.db2.gz PWRXWOUVCFHYNZ-UHFFFAOYSA-N 0 0 315.377 0.846 50 0 DCAARN CC1(C)COCCN1C(=O)CN1CCN(c2ccccn2)CC1 ZINC000073052759 191274378 /nfs/dbraw/zinc/27/43/78/191274378.db2.gz HBPGYQOXOGEAGU-UHFFFAOYSA-N 0 0 318.421 0.841 50 0 DCAARN C[C@@H]1CN=C(N2CCN(C(=O)CNCC(F)(F)F)CC2)S1 ZINC000073118461 191279770 /nfs/dbraw/zinc/27/97/70/191279770.db2.gz LOEDXWKEIQTIKC-SECBINFHSA-N 0 0 324.372 0.774 50 0 DCAARN CN(CC(=O)N1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000003327824 181006029 /nfs/dbraw/zinc/00/60/29/181006029.db2.gz NUCMTUBIMQUGAI-CYBMUJFWSA-N 0 0 308.403 0.695 50 0 DCAARN Cn1ncc2c1ncn(CC(=O)Nc1cccnc1Cl)c2=O ZINC000003329456 181006160 /nfs/dbraw/zinc/00/61/60/181006160.db2.gz GDPNYHSPJXBLCF-UHFFFAOYSA-N 0 0 318.724 0.817 50 0 DCAARN COC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000003394441 181014737 /nfs/dbraw/zinc/01/47/37/181014737.db2.gz JTWYPNOWQYYELW-GXSJLCMTSA-N 0 0 319.766 0.637 50 0 DCAARN O=C(O[C@H]1CCS(=O)(=O)C1)c1cnn(-c2ccccc2)n1 ZINC000073189723 191289395 /nfs/dbraw/zinc/28/93/95/191289395.db2.gz HIBLSYTZBOYDGG-NSHDSACASA-N 0 0 307.331 0.611 50 0 DCAARN CC(NCCCn1ccnc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000004040181 181066265 /nfs/dbraw/zinc/06/62/65/181066265.db2.gz CUIAGGWHDNNRMI-UHFFFAOYSA-N 0 0 305.338 0.187 50 0 DCAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccncc1 ZINC000004330250 181098839 /nfs/dbraw/zinc/09/88/39/181098839.db2.gz KOXBNYSYJOQRDD-UHFFFAOYSA-N 0 0 317.326 0.865 50 0 DCAARN CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 ZINC000004505286 181117133 /nfs/dbraw/zinc/11/71/33/181117133.db2.gz XJHCQYJBANPOJO-NSHDSACASA-N 0 0 303.405 0.884 50 0 DCAARN COc1cc(Cl)c(C)cc1-n1ccn(CC(N)=O)c(=O)c1=O ZINC000004570018 181125984 /nfs/dbraw/zinc/12/59/84/181125984.db2.gz ZIHVCAQSSTZNBZ-UHFFFAOYSA-N 0 0 323.736 0.455 50 0 DCAARN CC(C)OCCCNC(=O)CCC(=O)NC[C@@H]1CCCO1 ZINC000004616653 181129984 /nfs/dbraw/zinc/12/99/84/181129984.db2.gz VXOJGFPNBSMLAZ-ZDUSSCGKSA-N 0 0 300.399 0.993 50 0 DCAARN O=C(NC(=S)N[C@@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000004755804 181149174 /nfs/dbraw/zinc/14/91/74/181149174.db2.gz LCGHTJRVYDNPGE-SSDOTTSWSA-N 0 0 304.418 0.540 50 0 DCAARN COCCCNS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000004815400 181155856 /nfs/dbraw/zinc/15/58/56/181155856.db2.gz KPRYIOLNBLOAQR-UHFFFAOYSA-N 0 0 316.379 0.968 50 0 DCAARN CCc1ccc(NC(=O)C[C@@H]([NH2+]CCOCCO)C(=O)[O-])cc1 ZINC000004939498 181175669 /nfs/dbraw/zinc/17/56/69/181175669.db2.gz MWMOVNBVYIGETN-CQSZACIVSA-N 0 0 324.377 0.629 50 0 DCAARN CSC[C@@](C)(O)CNC(=O)C(=O)NCc1ccc(F)cc1 ZINC000075157326 191435093 /nfs/dbraw/zinc/43/50/93/191435093.db2.gz CNRIJWDXQBXSLW-AWEZNQCLSA-N 0 0 314.382 0.672 50 0 DCAARN CCOc1ncccc1NC(=O)N1CCN(CC(=O)NC)CC1 ZINC000075582444 191495268 /nfs/dbraw/zinc/49/52/68/191495268.db2.gz NBBWNFWXAWTFDR-UHFFFAOYSA-N 0 0 321.381 0.376 50 0 DCAARN O=C1CN(S(=O)(=O)c2ccc(Br)cc2)CCN1 ZINC000005120206 181205667 /nfs/dbraw/zinc/20/56/67/181205667.db2.gz YXSRUGGKZBBHJX-UHFFFAOYSA-N 0 0 319.180 0.570 50 0 DCAARN CNC(=O)c1c(C)c(C)sc1NC(=O)CN1C(=O)CCC1=O ZINC000005144978 181209374 /nfs/dbraw/zinc/20/93/74/181209374.db2.gz GUEXWEZTTWHWBR-UHFFFAOYSA-N 0 0 323.374 0.812 50 0 DCAARN O=C(CCc1nc2cc(Br)cnc2[nH]1)NCCO ZINC000079493417 191943224 /nfs/dbraw/zinc/94/32/24/191943224.db2.gz ICUGLNPNZHVWEI-UHFFFAOYSA-N 0 0 313.155 0.762 50 0 DCAARN CC[C@@H](C(=O)N1CCOCC1)n1nnc2ccccc2c1=O ZINC000005265416 181223557 /nfs/dbraw/zinc/22/35/57/181223557.db2.gz DUJGATOETXXNNB-ZDUSSCGKSA-N 0 0 302.334 0.601 50 0 DCAARN O=C(NCc1cccnc1)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000005352910 181233868 /nfs/dbraw/zinc/23/38/68/181233868.db2.gz BSTGSKRVQOKMNP-CYBMUJFWSA-N 0 0 319.361 0.500 50 0 DCAARN C[C@@H]1CCCN(S(=O)(=O)NCCc2nnc3ccccn32)C1 ZINC000081064018 192223136 /nfs/dbraw/zinc/22/31/36/192223136.db2.gz FCBUIWUPCPLEPJ-GFCCVEGCSA-N 0 0 323.422 0.838 50 0 DCAARN CN1C[C@H](C(=O)N2CCC(Oc3cnccn3)CC2)CC1=O ZINC000085471880 192512117 /nfs/dbraw/zinc/51/21/17/192512117.db2.gz BOVHRRXNZPOYBX-LLVKDONJSA-N 0 0 304.350 0.325 50 0 DCAARN COc1cccc(CN[C@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC000237426025 202262926 /nfs/dbraw/zinc/26/29/26/202262926.db2.gz YTOTUIKAZJFDML-ZDUSSCGKSA-N 0 0 301.350 0.719 50 0 DCAARN COc1ncc(C(=O)N[C@@H]2CCCN(C(=O)C3CC3)C2)cn1 ZINC000426658221 240352654 /nfs/dbraw/zinc/35/26/54/240352654.db2.gz LBHWESBZMNGAJN-GFCCVEGCSA-N 0 0 304.350 0.616 50 0 DCAARN CCCc1nc(C(N)=O)nn1CC(=O)NCc1ccccc1 ZINC000241132952 202462401 /nfs/dbraw/zinc/46/24/01/202462401.db2.gz JNNVDNDWIWBNTA-UHFFFAOYSA-N 0 0 301.350 0.646 50 0 DCAARN Cn1ncnc1S(=O)(=O)Cc1cnn(-c2ccccc2)c1 ZINC000191068057 200624271 /nfs/dbraw/zinc/62/42/71/200624271.db2.gz CUBDXMGNZQXZIQ-UHFFFAOYSA-N 0 0 303.347 0.975 50 0 DCAARN CC(=O)NCCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000006053708 181308702 /nfs/dbraw/zinc/30/87/02/181308702.db2.gz IUCJUEDJULSYNI-UHFFFAOYSA-N 0 0 313.379 0.402 50 0 DCAARN COc1ccc(/C=C\C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000006090765 181312044 /nfs/dbraw/zinc/31/20/44/181312044.db2.gz DAJYTXHAZXRBGN-TWGQIWQCSA-N 0 0 315.329 0.745 50 0 DCAARN CCOC(=O)Cc1csc(SCC(=O)NC(N)=O)n1 ZINC000006154534 181316754 /nfs/dbraw/zinc/31/67/54/181316754.db2.gz YSJVFGVCKZAVDP-UHFFFAOYSA-N 0 0 303.365 0.536 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000089904337 192902499 /nfs/dbraw/zinc/90/24/99/192902499.db2.gz YKDBUIQSDMOUOW-WDEREUQCSA-N 0 0 300.384 0.100 50 0 DCAARN C[NH2+][C@@H]1CCCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1 ZINC000261850246 283659192 /nfs/dbraw/zinc/65/91/92/283659192.db2.gz XWRGSITZKPIBLW-LLVKDONJSA-N 0 0 308.407 0.692 50 0 DCAARN COc1ccc(OCC(=O)NC(=S)N2CCOCC2)cc1 ZINC000006405764 181338489 /nfs/dbraw/zinc/33/84/89/181338489.db2.gz IPQKRAUTCBFEHL-UHFFFAOYSA-N 0 0 310.375 0.807 50 0 DCAARN CCc1nnsc1C(=O)NC[C@@H](CO)Cc1cnn(C)c1 ZINC000408516004 239271229 /nfs/dbraw/zinc/27/12/29/239271229.db2.gz BAZHQMBHLGAFNE-JTQLQIEISA-N 0 0 309.395 0.415 50 0 DCAARN CS(C)(=O)=NC(=O)[C@@H]1CCCN1C[C@H](O)C(F)(F)F ZINC000408523199 239271788 /nfs/dbraw/zinc/27/17/88/239271788.db2.gz HUUAVPBRRCGOAT-YUMQZZPRSA-N 0 0 302.318 0.628 50 0 DCAARN C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000409413277 239277487 /nfs/dbraw/zinc/27/74/87/239277487.db2.gz IHIWDVOLXJJZLX-RKDXNWHRSA-N 0 0 320.324 0.552 50 0 DCAARN COC(=O)c1ccccc1NC(=O)CN1C(=O)CN(C)C1=O ZINC000006617750 181361242 /nfs/dbraw/zinc/36/12/42/181361242.db2.gz DZEZGVWCATZIFT-UHFFFAOYSA-N 0 0 305.290 0.306 50 0 DCAARN C[C@H]1CN(S(=O)(=O)c2csc(C(N)=O)c2)C[C@H](C)O1 ZINC000006681513 181369921 /nfs/dbraw/zinc/36/99/21/181369921.db2.gz GHMXUTUVGJKHOM-YUMQZZPRSA-N 0 0 304.393 0.645 50 0 DCAARN CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1 ZINC000006729554 181378237 /nfs/dbraw/zinc/37/82/37/181378237.db2.gz KJUYBEBRTKIWBI-UHFFFAOYSA-N 0 0 312.391 0.984 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nncs2)C1 ZINC000006747027 181381692 /nfs/dbraw/zinc/38/16/92/181381692.db2.gz KSDXTHWSHICFNA-QMMMGPOBSA-N 0 0 304.397 0.538 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(C)s2)C1 ZINC000006747130 181381774 /nfs/dbraw/zinc/38/17/74/181381774.db2.gz CSESVAJTWJKOGT-VIFPVBQESA-N 0 0 318.424 0.847 50 0 DCAARN CCCCN(CC(=O)NC(N)=O)S(=O)(=O)c1ccccc1 ZINC000006859498 181398698 /nfs/dbraw/zinc/39/86/98/181398698.db2.gz QPAGQENWYBCVIV-UHFFFAOYSA-N 0 0 313.379 0.672 50 0 DCAARN C[C@@H](c1cncs1)N(C)C(=O)CN1CCC(C(N)=O)CC1 ZINC000091304622 193037202 /nfs/dbraw/zinc/03/72/02/193037202.db2.gz PEYPIGIPTUUKRY-JTQLQIEISA-N 0 0 310.423 0.860 50 0 DCAARN CN(Cc1ccno1)C(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000091434102 193054841 /nfs/dbraw/zinc/05/48/41/193054841.db2.gz HHUACZAXZFMKCM-UHFFFAOYSA-N 0 0 313.310 0.733 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)NCCSc1ccccn1 ZINC000091519058 193068427 /nfs/dbraw/zinc/06/84/27/193068427.db2.gz ZOQKOAKMWWJTFD-VIFPVBQESA-N 0 0 308.363 0.278 50 0 DCAARN O=C(CCc1nc(Cl)n[nH]1)N1CC[C@]2(C1)CCCNC2=O ZINC000091535000 193070043 /nfs/dbraw/zinc/07/00/43/193070043.db2.gz KNOQVUKZTJCKCR-ZDUSSCGKSA-N 0 0 311.773 0.519 50 0 DCAARN Cc1nc(C)n(C[C@@H](C)C(=O)N(C)CC2(CO)CCOCC2)n1 ZINC000091664799 193087292 /nfs/dbraw/zinc/08/72/92/193087292.db2.gz NHHDZMSNSYPFKW-GFCCVEGCSA-N 0 0 324.425 0.779 50 0 DCAARN CCn1nc(C)c(CCNC(=O)[C@H]2CCCN(C(N)=O)C2)c1C ZINC000091665108 193088246 /nfs/dbraw/zinc/08/82/46/193088246.db2.gz KVRQLWQVSZWWEK-ZDUSSCGKSA-N 0 0 321.425 0.969 50 0 DCAARN CN(Cc1noc2c1CCCC2)C(=O)CC[C@H]1NC(=O)NC1=O ZINC000091736825 193098686 /nfs/dbraw/zinc/09/86/86/193098686.db2.gz CKBKKBFDKIMMQS-SNVBAGLBSA-N 0 0 320.349 0.500 50 0 DCAARN COCCC[C@@]1(CO)CCCN(C(=O)N2CCN(C)CC2)C1 ZINC000091829156 193113583 /nfs/dbraw/zinc/11/35/83/193113583.db2.gz WTJBFJGUQNQWAA-INIZCTEOSA-N 0 0 313.442 0.855 50 0 DCAARN COCC[C@]1(CO)CCCN(CC(=O)NCc2ccccn2)C1 ZINC000091860059 193118971 /nfs/dbraw/zinc/11/89/71/193118971.db2.gz SZMOOHVOGVSZHO-QGZVFWFLSA-N 0 0 321.421 0.809 50 0 DCAARN CC(C)Cc1cc(C(=O)NCCN(C)S(C)(=O)=O)on1 ZINC000091858788 193119038 /nfs/dbraw/zinc/11/90/38/193119038.db2.gz ZQBLEBQQQPLHQS-UHFFFAOYSA-N 0 0 303.384 0.494 50 0 DCAARN CCC[C@H]1CN(c2ccnc(N)n2)C[C@@H]1NC(=O)CCOC ZINC000091915291 193126060 /nfs/dbraw/zinc/12/60/60/193126060.db2.gz KEOUMVRFSOOMRE-RYUDHWBXSA-N 0 0 307.398 0.816 50 0 DCAARN CCCn1cnnc1CNC(=O)C1CCN(C(=O)C2CC2)CC1 ZINC000091934277 193128588 /nfs/dbraw/zinc/12/85/88/193128588.db2.gz ZSASAMPJUQQDRK-UHFFFAOYSA-N 0 0 319.409 0.953 50 0 DCAARN COCC[C@]1(CO)CCCN(C(=O)c2cccc(CO)n2)C1 ZINC000091952322 193130649 /nfs/dbraw/zinc/13/06/49/193130649.db2.gz CGLMUDUVTVOYEP-MRXNPFEDSA-N 0 0 308.378 0.825 50 0 DCAARN Cc1cccc([C@@H](C(=O)NCc2noc(C(N)=O)n2)N(C)C)c1 ZINC000092037271 193144496 /nfs/dbraw/zinc/14/44/96/193144496.db2.gz GSSQBTMQYLMIOD-LBPRGKRZSA-N 0 0 317.349 0.396 50 0 DCAARN CC(C)[C@H]1CN(C(=O)c2ccncc2)C[C@@H]1NS(C)(=O)=O ZINC000092046981 193147646 /nfs/dbraw/zinc/14/76/46/193147646.db2.gz WBHKCYBCIUIDSU-OLZOCXBDSA-N 0 0 311.407 0.727 50 0 DCAARN COCC[C@]1(CO)CCCN(C(=O)c2ccn(C)c(=O)c2)C1 ZINC000092065936 193150283 /nfs/dbraw/zinc/15/02/83/193150283.db2.gz IBYKEWIYEGYBML-MRXNPFEDSA-N 0 0 308.378 0.637 50 0 DCAARN Cc1cc(N)n(CC(=O)N2CCOc3ccc(CO)cc3C2)n1 ZINC000215724733 201469734 /nfs/dbraw/zinc/46/97/34/201469734.db2.gz WLDARHFHSNNDFX-UHFFFAOYSA-N 0 0 316.361 0.687 50 0 DCAARN CC(C)n1cc(CN2CCN(CCS(C)(=O)=O)CC2)cn1 ZINC000215942450 201477049 /nfs/dbraw/zinc/47/70/49/201477049.db2.gz CUFRMHQLTIMQSW-UHFFFAOYSA-N 0 0 314.455 0.626 50 0 DCAARN O=C([C@H]1CCC(=O)c2cccn21)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000328859667 296099667 /nfs/dbraw/zinc/09/96/67/296099667.db2.gz ADYGCBSYZIOROD-VXGBXAGGSA-N 0 0 315.333 0.724 50 0 DCAARN O=C([O-])[C@@H]1CN(C(=O)c2cn[nH]c2)CC[N@@H+](C2CCOCC2)C1 ZINC000097657314 304132327 /nfs/dbraw/zinc/13/23/27/304132327.db2.gz YWWXWNSRCSQONQ-LBPRGKRZSA-N 0 0 322.365 0.047 50 0 DCAARN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N[C@@H](CO)C(C)C ZINC000252490806 202848416 /nfs/dbraw/zinc/84/84/16/202848416.db2.gz LBJFLASKRLWWTQ-ZDUSSCGKSA-N 0 0 320.393 0.705 50 0 DCAARN O=C(CN1CCCCCCC1=O)NC[C@@H](CO)[C@H]1CCOC1 ZINC000253427821 202885621 /nfs/dbraw/zinc/88/56/21/202885621.db2.gz AXCIZAMGCPKJQO-KBPBESRZSA-N 0 0 312.410 0.540 50 0 DCAARN O=C(COC[C@H]1CCCCO1)N1CCc2nc[nH]c(=O)c2C1 ZINC000253536791 202898638 /nfs/dbraw/zinc/89/86/38/202898638.db2.gz OTTAMNBYOOOVRE-LLVKDONJSA-N 0 0 307.350 0.653 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cn(-c2ccccc2)nn1 ZINC000032816393 284087326 /nfs/dbraw/zinc/08/73/26/284087326.db2.gz JQWHHTXOELBSCM-SNVBAGLBSA-N 0 0 306.347 0.184 50 0 DCAARN Cc1nn(C)c2nc(NCCCN3CCNC(=O)C3)sc12 ZINC000096149778 193553452 /nfs/dbraw/zinc/55/34/52/193553452.db2.gz HHZDJUGSTCYSGU-UHFFFAOYSA-N 0 0 308.411 0.572 50 0 DCAARN O=C(COc1ccc(Br)cc1)N1CCNC(=O)C1 ZINC000008747748 181582363 /nfs/dbraw/zinc/58/23/63/181582363.db2.gz YDBZZRVDAZWGON-UHFFFAOYSA-N 0 0 313.151 0.786 50 0 DCAARN COc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000011694024 181700443 /nfs/dbraw/zinc/70/04/43/181700443.db2.gz IKMNWLPPYMSBQG-UHFFFAOYSA-N 0 0 303.318 0.509 50 0 DCAARN COCC(=O)NCCCn1nc(-c2cccnc2)ccc1=O ZINC000011745545 181703002 /nfs/dbraw/zinc/70/30/02/181703002.db2.gz NCOONBMHRCMHHM-UHFFFAOYSA-N 0 0 302.334 0.458 50 0 DCAARN CCc1cc(CC)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CC)n1 ZINC000012518773 181769722 /nfs/dbraw/zinc/76/97/22/181769722.db2.gz NMDGIRPYVICKOC-UHFFFAOYSA-N 0 0 316.365 0.754 50 0 DCAARN Cc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(CCO)C3)cc1 ZINC000012389885 181756076 /nfs/dbraw/zinc/75/60/76/181756076.db2.gz SIYACRHINBIACZ-CQSZACIVSA-N 0 0 301.346 0.780 50 0 DCAARN C[C@@]1(NC(=O)CN2CCc3ccccc32)CCS(=O)(=O)C1 ZINC000012533737 181772196 /nfs/dbraw/zinc/77/21/96/181772196.db2.gz LJVUXCYECUCPAK-OAHLLOKOSA-N 0 0 308.403 0.743 50 0 DCAARN CNC(=O)NC1CN(S(=O)(=O)c2ccc(C(C)=O)cc2)C1 ZINC000282626920 217135278 /nfs/dbraw/zinc/13/52/78/217135278.db2.gz NBFOOWRGBCCJQV-UHFFFAOYSA-N 0 0 311.363 0.191 50 0 DCAARN COc1cc(CNc2nc[nH]n2)cc(Cl)c1OCC(N)=O ZINC000013942692 181913467 /nfs/dbraw/zinc/91/34/67/181913467.db2.gz WHXAHCDTQRDEOV-UHFFFAOYSA-N 0 0 311.729 0.943 50 0 DCAARN O=c1c2ccc(Cl)cc2ncn1[C@H]1CS(=O)(=O)C[C@H]1O ZINC000014198551 181936666 /nfs/dbraw/zinc/93/66/66/181936666.db2.gz ASKKPIVUTWOFDT-WDEREUQCSA-N 0 0 314.750 0.380 50 0 DCAARN C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(F)cc3)CN2C1=O ZINC000014746988 181969005 /nfs/dbraw/zinc/96/90/05/181969005.db2.gz XEQCJIGHPLZDMZ-ZHAHWJHGSA-N 0 0 320.324 0.435 50 0 DCAARN NC(=O)C1CCN(C(=O)N[C@@H]2COc3ccccc3C2)CC1 ZINC000015787162 182017905 /nfs/dbraw/zinc/01/79/05/182017905.db2.gz APRJKCZBIWVOFO-ZDUSSCGKSA-N 0 0 303.362 0.897 50 0 DCAARN CCC1(CC)NC(=O)N(Cc2nc(N)nc(N(C)C)n2)C1=O ZINC000016335051 182040862 /nfs/dbraw/zinc/04/08/62/182040862.db2.gz YFBLCUOMZBIKAZ-UHFFFAOYSA-N 0 0 307.358 0.130 50 0 DCAARN COc1cc(/C=c2\sc3ncnn3c2=O)cc(OC)c1OC ZINC000016733100 182059527 /nfs/dbraw/zinc/05/95/27/182059527.db2.gz RXIWKXLJRRVHBV-WDZFZDKYSA-N 0 0 319.342 0.725 50 0 DCAARN COC(=O)[C@H]1CCCN(C(=O)Nc2nnc(OC)s2)C1 ZINC000282917744 217323952 /nfs/dbraw/zinc/32/39/52/217323952.db2.gz VRJAOAYAIFNNEY-ZETCQYMHSA-N 0 0 300.340 0.964 50 0 DCAARN Cn1ncc2c1ncn(CC(=O)c1ccc3c(c1)OCO3)c2=O ZINC000017180321 182079151 /nfs/dbraw/zinc/07/91/51/182079151.db2.gz SXQLBRVJZAHYIY-UHFFFAOYSA-N 0 0 312.285 0.742 50 0 DCAARN O=C(Nc1ccccc1)[C@H](O)[C@H](O)C(=O)Nc1ccccc1 ZINC000017877797 182086840 /nfs/dbraw/zinc/08/68/40/182086840.db2.gz RMACBBOFZDWABJ-OKILXGFUSA-N 0 0 300.314 0.986 50 0 DCAARN CNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000018941169 182103419 /nfs/dbraw/zinc/10/34/19/182103419.db2.gz OAVVQWGHNYQLPQ-UHFFFAOYSA-N 0 0 314.363 0.214 50 0 DCAARN COc1ccc(CN2CCN(S(C)(=O)=O)CC2)c(OC)c1 ZINC000019552413 182129737 /nfs/dbraw/zinc/12/97/37/182129737.db2.gz BDMOYHWDJFJCLO-UHFFFAOYSA-N 0 0 314.407 0.781 50 0 DCAARN CNC(=O)C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(F)c(C)c1 ZINC000097547636 193731925 /nfs/dbraw/zinc/73/19/25/193731925.db2.gz OAULWJTUPUXBCC-GFCCVEGCSA-N 0 0 322.340 0.603 50 0 DCAARN Cc1ccc(OC[C@@H](O)CN2CCN(CCO)CC2)c(C)c1 ZINC000019848488 182156633 /nfs/dbraw/zinc/15/66/33/182156633.db2.gz RJZOHAQPXWWWKT-INIZCTEOSA-N 0 0 308.422 0.653 50 0 DCAARN CC(=O)O[C@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C)OC(C)=O ZINC000019911876 182163820 /nfs/dbraw/zinc/16/38/20/182163820.db2.gz XNZDDCYYLSDAMR-NVIQENEESA-N 0 0 318.322 0.753 50 0 DCAARN CCS(=O)(=O)NCCNc1ccc(-n2ccc(C)n2)nn1 ZINC000019924018 182165199 /nfs/dbraw/zinc/16/51/99/182165199.db2.gz ORVWUNXRRIOMJT-UHFFFAOYSA-N 0 0 310.383 0.322 50 0 DCAARN C[C@@H]1CCc2nn(CC(=O)NCCCN3CCOCC3)cc2C1 ZINC000020415899 182216121 /nfs/dbraw/zinc/21/61/21/182216121.db2.gz VKRFGMOQABWLTQ-CQSZACIVSA-N 0 0 320.437 0.846 50 0 DCAARN COC[C@H]1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000020454601 182219451 /nfs/dbraw/zinc/21/94/51/182219451.db2.gz GYSPMPVDTVRMPP-NSHDSACASA-N 0 0 302.330 0.778 50 0 DCAARN C[C@@H]1CCC(=O)N1CC(=O)N1CCC(c2nncn2C)CC1 ZINC000020601173 182236464 /nfs/dbraw/zinc/23/64/64/182236464.db2.gz AVQOTKKOLJPDJN-LLVKDONJSA-N 0 0 305.382 0.532 50 0 DCAARN CCNC(=O)C1=CC(c2ccccc2OC)=NS(=O)(=O)N1C ZINC000020608884 182237907 /nfs/dbraw/zinc/23/79/07/182237907.db2.gz QFAYWIUOUPUBEE-UHFFFAOYSA-N 0 0 323.374 0.695 50 0 DCAARN COC(=O)CNC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccncc1 ZINC000020761296 182246551 /nfs/dbraw/zinc/24/65/51/182246551.db2.gz PTVZDPDEDIJGIH-AWEZNQCLSA-N 0 0 315.333 0.635 50 0 biogenic DCAARN Cc1noc(C)c1CC(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000021473916 182274266 /nfs/dbraw/zinc/27/42/66/182274266.db2.gz MNLIUDJQNYVALA-UHFFFAOYSA-N 0 0 306.322 0.035 50 0 DCAARN O=C(CCc1ccsc1)N1CCC2(CC1)NC(=O)NC2=O ZINC000021473871 182274437 /nfs/dbraw/zinc/27/44/37/182274437.db2.gz FFTSVFXHQRFJTB-UHFFFAOYSA-N 0 0 307.375 0.881 50 0 DCAARN O=C(NCCCN1CCOCC1)c1[nH]ncc1Br ZINC000022239217 182314782 /nfs/dbraw/zinc/31/47/82/182314782.db2.gz AJGAUEAFURGSOT-UHFFFAOYSA-N 0 0 317.187 0.624 50 0 DCAARN CCN(CC(=O)NC(C)(C)C)C(=O)CN1CSCC1=O ZINC000022612796 182327815 /nfs/dbraw/zinc/32/78/15/182327815.db2.gz UTJMEYJEYSIUPH-UHFFFAOYSA-N 0 0 301.412 0.283 50 0 DCAARN CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2cnc(C)cn2)CC1 ZINC000022741866 182332415 /nfs/dbraw/zinc/33/24/15/182332415.db2.gz KFMLGCSDDSBPGO-LLVKDONJSA-N 0 0 320.349 0.021 50 0 DCAARN COC(=O)COC(=O)CNC(=O)c1cc(OC)cc(OC)c1 ZINC000022743137 182332422 /nfs/dbraw/zinc/33/24/22/182332422.db2.gz POZRJEIXIGTLQP-UHFFFAOYSA-N 0 0 311.290 0.150 50 0 DCAARN C[C@@H](C(N)=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022798905 182335144 /nfs/dbraw/zinc/33/51/44/182335144.db2.gz NWZGLRYIAPAWJB-NSHDSACASA-N 0 0 308.357 0.256 50 0 DCAARN CCCNC(=O)Cn1nc2c(c1NC(=O)COC)CSC2 ZINC000023138741 182350580 /nfs/dbraw/zinc/35/05/80/182350580.db2.gz OOLNLKSOLGUYOO-UHFFFAOYSA-N 0 0 312.395 0.741 50 0 DCAARN CCCn1c2ccccc2n(CC(=O)Nc2nc[nH]n2)c1=O ZINC000023141586 182350901 /nfs/dbraw/zinc/35/09/01/182350901.db2.gz AREKHURTTUKMDH-UHFFFAOYSA-N 0 0 300.322 0.970 50 0 DCAARN O=C(NCCCN1CCOCC1)C(=O)NCc1cccs1 ZINC000023105384 182347649 /nfs/dbraw/zinc/34/76/49/182347649.db2.gz ZYNYMULSYCNXRK-UHFFFAOYSA-N 0 0 311.407 0.203 50 0 DCAARN O=C(CCc1nc(-c2ccsc2)no1)N1CCNC(=O)C1 ZINC000023420651 182360706 /nfs/dbraw/zinc/36/07/06/182360706.db2.gz GHYQFKNCNDQRLO-UHFFFAOYSA-N 0 0 306.347 0.689 50 0 DCAARN COc1ccc(F)cc1C(=O)O[C@H](C)C(=O)N1CCNC1=O ZINC000023578866 182363861 /nfs/dbraw/zinc/36/38/61/182363861.db2.gz XFOCEYIWATXAOW-MRVPVSSYSA-N 0 0 310.281 0.931 50 0 DCAARN Cn1cc(N2CC[C@H](NC(=O)Cc3cccs3)C2=O)cn1 ZINC000098010396 193774212 /nfs/dbraw/zinc/77/42/12/193774212.db2.gz KIADEYMSSVDAEI-LBPRGKRZSA-N 0 0 304.375 0.946 50 0 DCAARN COc1ccc(S(=O)(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000024682122 182386795 /nfs/dbraw/zinc/38/67/95/182386795.db2.gz HKOVITVBBYPMDZ-LBPRGKRZSA-N 0 0 314.407 0.694 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1ccc(OC)cc1 ZINC000025033538 182399869 /nfs/dbraw/zinc/39/98/69/182399869.db2.gz KFUFMOZIAFVCHL-ZDUSSCGKSA-N 0 0 320.345 0.128 50 0 DCAARN CCCn1c(S[C@@H](C)c2nc(N)nc(N(C)C)n2)n[nH]c1=O ZINC000024975820 182397091 /nfs/dbraw/zinc/39/70/91/182397091.db2.gz BRNYUBAZYNPCDD-ZETCQYMHSA-N 0 0 324.414 0.668 50 0 DCAARN C[C@@H](NC(N)=O)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000025397780 182412336 /nfs/dbraw/zinc/41/23/36/182412336.db2.gz JYRRMIJWSRVUMC-CYBMUJFWSA-N 0 0 320.393 0.266 50 0 DCAARN COc1ccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cn1 ZINC000025896953 182424603 /nfs/dbraw/zinc/42/46/03/182424603.db2.gz PFIUJVXRHPDKQJ-JTQLQIEISA-N 0 0 313.379 0.700 50 0 DCAARN O=c1[n-][n+](-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000035681938 182785760 /nfs/dbraw/zinc/78/57/60/182785760.db2.gz BARDVPJNMOYSNH-UHFFFAOYSA-O 0 0 311.343 0.227 50 0 DCAARN CCCNC(=O)c1nn(-c2cccc(C)c2)c(=O)n(CC)c1=O ZINC000036086927 182796900 /nfs/dbraw/zinc/79/69/00/182796900.db2.gz HLRITONBHQSFRP-UHFFFAOYSA-N 0 0 316.361 0.862 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)Cc2noc3ccccc32)CC1 ZINC000038488763 183000506 /nfs/dbraw/zinc/00/05/06/183000506.db2.gz KSMFMMCROXLNNN-UHFFFAOYSA-N 0 0 323.374 0.474 50 0 DCAARN Cc1noc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000038680818 183006351 /nfs/dbraw/zinc/00/63/51/183006351.db2.gz MMIWFOIIKWFXRY-UHFFFAOYSA-N 0 0 324.362 0.558 50 0 DCAARN CS(=O)(=O)NCCOc1cc(N2CCCCC2)ncn1 ZINC000038909172 183012580 /nfs/dbraw/zinc/01/25/80/183012580.db2.gz KFSYJSDOFITNEP-UHFFFAOYSA-N 0 0 300.384 0.395 50 0 DCAARN CS(=O)(=O)Nc1ccccc1CNC(=O)c1nccnc1N ZINC000040109015 183037271 /nfs/dbraw/zinc/03/72/71/183037271.db2.gz JOEOGUADBAXHET-UHFFFAOYSA-N 0 0 321.362 0.360 50 0 DCAARN COc1ccc(NC(=O)C(=O)NCCn2ccc(C)n2)cn1 ZINC000040266967 183049772 /nfs/dbraw/zinc/04/97/72/183049772.db2.gz CCWLPVTXRWZIIV-UHFFFAOYSA-N 0 0 303.322 0.350 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000040480876 183076978 /nfs/dbraw/zinc/07/69/78/183076978.db2.gz XRRXWOXTBBNZPZ-ZDUSSCGKSA-N 0 0 324.402 0.342 50 0 DCAARN CS(=O)(=O)NC1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000040484996 183077821 /nfs/dbraw/zinc/07/78/21/183077821.db2.gz CBLQVZWAUJEPQY-CYBMUJFWSA-N 0 0 311.407 0.227 50 0 DCAARN C[C@@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)[C@H]1CCCO1 ZINC000040497650 183081887 /nfs/dbraw/zinc/08/18/87/183081887.db2.gz HKIZSQMAQRQTJL-ZWNOBZJWSA-N 0 0 317.345 0.374 50 0 DCAARN CNS(=O)(=O)c1ccc(CNC(=O)c2ccc[nH]c2=O)cc1 ZINC000040498985 183082631 /nfs/dbraw/zinc/08/26/31/183082631.db2.gz VYVLFHUNZYEOHD-UHFFFAOYSA-N 0 0 321.358 0.213 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)NCCCn2cccn2)C[C@@H](C)O1 ZINC000040504546 183084577 /nfs/dbraw/zinc/08/45/77/183084577.db2.gz BCDGYVTYYTWZGJ-VXGBXAGGSA-N 0 0 302.400 0.217 50 0 DCAARN O=C(NC[C@H]1CCCO1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000040505030 183085092 /nfs/dbraw/zinc/08/50/92/183085092.db2.gz BEBWTLSUXDOMHB-GXTWGEPZSA-N 0 0 303.362 0.725 50 0 DCAARN C[C@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CCO1 ZINC000040512842 183088380 /nfs/dbraw/zinc/08/83/80/183088380.db2.gz CFUBCUXJMPSMJJ-STQMWFEESA-N 0 0 303.362 0.677 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)C[C@H](C)O1 ZINC000040525009 183091223 /nfs/dbraw/zinc/09/12/23/183091223.db2.gz OSCMAHQUCZEZOV-XQQFMLRXSA-N 0 0 318.439 0.841 50 0 DCAARN Cn1c(COc2cccc(S(C)(=O)=O)c2)cc(=O)n(C)c1=O ZINC000040538770 183096425 /nfs/dbraw/zinc/09/64/25/183096425.db2.gz GEJTZHKYJFDTOF-UHFFFAOYSA-N 0 0 324.358 0.067 50 0 DCAARN O=C(NCC1CC1)[C@@H]1CCCN(Cc2nnnn2C2CC2)C1 ZINC000040540626 183097461 /nfs/dbraw/zinc/09/74/61/183097461.db2.gz RMBYZOWSSCKWRH-GFCCVEGCSA-N 0 0 304.398 0.746 50 0 DCAARN O=C(CCn1ncc2ccccc21)NCC(=O)N1CCOCC1 ZINC000040768983 183131698 /nfs/dbraw/zinc/13/16/98/183131698.db2.gz JBBPLXPWLTXHDG-UHFFFAOYSA-N 0 0 316.361 0.401 50 0 DCAARN COc1ccc(CCC(=O)N2CC[C@@H](C(N)=O)C2)cc1OC ZINC000041127218 183169615 /nfs/dbraw/zinc/16/96/15/183169615.db2.gz FIPDRBKYERJYRB-GFCCVEGCSA-N 0 0 306.362 0.970 50 0 DCAARN Cc1nn(CC(=O)NC[C@@H]2CCOC2)c(=O)c2ccccc12 ZINC000041368082 183187170 /nfs/dbraw/zinc/18/71/70/183187170.db2.gz JBUWBDQJHQXWCA-LBPRGKRZSA-N 0 0 301.346 0.858 50 0 DCAARN CCn1c2ccccc2n(CC(=O)NC[C@@H]2CCOC2)c1=O ZINC000041370802 183187433 /nfs/dbraw/zinc/18/74/33/183187433.db2.gz WLCNHHRMKPQRIJ-LBPRGKRZSA-N 0 0 303.362 0.976 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@H]1COc2ccccc2C1 ZINC000041997850 183228033 /nfs/dbraw/zinc/22/80/33/183228033.db2.gz OMXWUMYFZLSYIQ-JQWIXIFHSA-N 0 0 317.345 0.342 50 0 DCAARN CCCS(=O)(=O)c1ccccc1C(=O)N1CCNC(=O)C1 ZINC000042017225 183229440 /nfs/dbraw/zinc/22/94/40/183229440.db2.gz IUUWGJOWIRVJNV-UHFFFAOYSA-N 0 0 310.375 0.442 50 0 DCAARN CCCS(=O)(=O)N[C@@H](C)C(=O)NCc1cccnc1OC ZINC000042494435 183277228 /nfs/dbraw/zinc/27/72/28/183277228.db2.gz LZCSSUGORHQKLK-JTQLQIEISA-N 0 0 315.395 0.424 50 0 DCAARN C[C@@H](Cn1ccnc1)NC(=O)c1cnc2n(c1=O)CCS2 ZINC000042513215 183278462 /nfs/dbraw/zinc/27/84/62/183278462.db2.gz LRECDCRETRJSPR-VIFPVBQESA-N 0 0 305.363 0.364 50 0 DCAARN O=C(NCC1(O)CCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000042382740 183261762 /nfs/dbraw/zinc/26/17/62/183261762.db2.gz IZZDDTOWKSRDMV-UHFFFAOYSA-N 0 0 306.318 0.775 50 0 DCAARN C[C@H](OCCCNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1 ZINC000042853187 183314388 /nfs/dbraw/zinc/31/43/88/183314388.db2.gz NETZVWBDINGHHT-AAEUAGOBSA-N 0 0 319.361 0.869 50 0 DCAARN CC(=O)NCCNC(=O)NCc1ccc(-n2cccn2)cc1 ZINC000043140409 183340749 /nfs/dbraw/zinc/34/07/49/183340749.db2.gz TUEPUMFYWDFZTJ-UHFFFAOYSA-N 0 0 301.350 0.808 50 0 DCAARN COc1cc(OC)cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c1 ZINC000044456477 183411087 /nfs/dbraw/zinc/41/10/87/183411087.db2.gz LXOSPFRYMYMXJM-SNVBAGLBSA-N 0 0 313.375 0.868 50 0 DCAARN COC[C@@H](C)NC(=O)CS(=O)(=O)c1ccc(F)c(F)c1 ZINC000047660709 183600865 /nfs/dbraw/zinc/60/08/65/183600865.db2.gz JCORKMRHRJEZOM-MRVPVSSYSA-N 0 0 307.318 0.890 50 0 DCAARN COCCNC(=O)CN1CCN(c2nc(C)cs2)[C@H](C)C1 ZINC000106775724 194252177 /nfs/dbraw/zinc/25/21/77/194252177.db2.gz ZCWDGQDOHGMVLK-GFCCVEGCSA-N 0 0 312.439 0.725 50 0 DCAARN NS(=O)(=O)c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1 ZINC000050888583 183806924 /nfs/dbraw/zinc/80/69/24/183806924.db2.gz JOESWBMGEGYULU-UHFFFAOYSA-N 0 0 307.246 0.767 50 0 in-vitro DCAARN NC(=O)[C@@H](NC(=O)c1ccnc(-n2cncn2)c1)c1ccccc1 ZINC000053792508 183913112 /nfs/dbraw/zinc/91/31/12/183913112.db2.gz BDYPLRGLBSDBFW-AWEZNQCLSA-N 0 0 322.328 0.619 50 0 DCAARN O=C1N(CCc2ccccc2)CCC[C@@]1(O)CN1CCOCC1 ZINC000020294305 284853805 /nfs/dbraw/zinc/85/38/05/284853805.db2.gz IMNQWCOZLJEMEV-GOSISDBHSA-N 0 0 318.417 0.915 50 0 DCAARN CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CCOC[C@H]2C)cc1 ZINC000056650375 184017044 /nfs/dbraw/zinc/01/70/44/184017044.db2.gz UEHBNKWGGSRBHP-VVEJJEBESA-N 0 0 324.402 0.855 50 0 DCAARN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCNC(=O)C1 ZINC000057322864 184033286 /nfs/dbraw/zinc/03/32/86/184033286.db2.gz PFZMCKQBJCRRGU-SFCYXTAJSA-N 0 0 305.422 0.892 50 0 DCAARN C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1nncn1C ZINC000057004916 184024068 /nfs/dbraw/zinc/02/40/68/184024068.db2.gz PMNNVQSAFTVXML-TVYUQYBPSA-N 0 0 301.350 0.834 50 0 DCAARN O=C1CCCN1CCCSc1nnnn1C[C@H]1CCCO1 ZINC000058023336 184069257 /nfs/dbraw/zinc/06/92/57/184069257.db2.gz RKNYOLJAXNIVBG-LLVKDONJSA-N 0 0 311.411 0.957 50 0 DCAARN O=C(NCCNc1ncccn1)c1ccnc(-n2ccnc2)c1 ZINC000058127238 184078617 /nfs/dbraw/zinc/07/86/17/184078617.db2.gz YJCHLHHVKKKJFX-UHFFFAOYSA-N 0 0 309.333 0.899 50 0 DCAARN CN(Cn1c2ccccc2n(C)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000058356603 184108270 /nfs/dbraw/zinc/10/82/70/184108270.db2.gz KYEKQWKGXWSQAY-NSHDSACASA-N 0 0 309.391 0.416 50 0 DCAARN COc1nc(C(=O)NCCS(N)(=O)=O)cc2ccccc21 ZINC000058357748 184108850 /nfs/dbraw/zinc/10/88/50/184108850.db2.gz NRIXICBPCQLUNY-UHFFFAOYSA-N 0 0 309.347 0.262 50 0 DCAARN COc1ccc(CC(=O)N2CCN([C@@H](C)C(N)=O)CC2)cc1 ZINC000058392334 184111963 /nfs/dbraw/zinc/11/19/63/184111963.db2.gz LSJYVNVEHPRFHD-LBPRGKRZSA-N 0 0 305.378 0.256 50 0 DCAARN CCNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000058246995 184094156 /nfs/dbraw/zinc/09/41/56/184094156.db2.gz MHZXYLBNUWMUJH-LLVKDONJSA-N 0 0 322.390 0.675 50 0 DCAARN CCNC(=O)[C@H](C)NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000058246996 184094488 /nfs/dbraw/zinc/09/44/88/184094488.db2.gz MHZXYLBNUWMUJH-NSHDSACASA-N 0 0 322.390 0.675 50 0 DCAARN CC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000058291534 184100747 /nfs/dbraw/zinc/10/07/47/184100747.db2.gz DZKSJJXAZYKRNU-GFCCVEGCSA-N 0 0 313.398 0.886 50 0 DCAARN C[C@H]1CCCCN1C(=O)Cn1c(=O)onc1-c1ncccn1 ZINC000058292996 184101498 /nfs/dbraw/zinc/10/14/98/184101498.db2.gz UTFWMXCRKUEKHK-JTQLQIEISA-N 0 0 303.322 0.694 50 0 DCAARN O=C1CN(c2ccc3nnc(-c4ccccc4F)n3n2)CCN1 ZINC000058315483 184104746 /nfs/dbraw/zinc/10/47/46/184104746.db2.gz WZQBODYAUFNELJ-UHFFFAOYSA-N 0 0 312.308 0.867 50 0 DCAARN CCOCCO[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000058392971 184111806 /nfs/dbraw/zinc/11/18/06/184111806.db2.gz UPRAVWSKNRGBGP-TZMCWYRMSA-N 0 0 308.378 0.641 50 0 DCAARN Cc1ccc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)cc1F ZINC000058470813 184119792 /nfs/dbraw/zinc/11/97/92/184119792.db2.gz XDPAHXKSUMSDLL-UHFFFAOYSA-N 0 0 306.293 0.889 50 0 DCAARN CCn1ccnc1N1CCN(C(=O)c2cn(C)nc2OC)CC1 ZINC000062007452 184200876 /nfs/dbraw/zinc/20/08/76/184200876.db2.gz XLWBUUWJCRCLKU-UHFFFAOYSA-N 0 0 318.381 0.608 50 0 DCAARN O=C(CN1C(=O)CCC1=O)N1CCC(Cn2cccn2)CC1 ZINC000062017802 184201585 /nfs/dbraw/zinc/20/15/85/184201585.db2.gz HOVFQOIQTSHFMG-UHFFFAOYSA-N 0 0 304.350 0.271 50 0 DCAARN C[C@@H](NC(=O)CCOc1ccccc1)C(=O)N1CCOCC1 ZINC000062885618 184258412 /nfs/dbraw/zinc/25/84/12/184258412.db2.gz ZWJHRBFDJXYMJC-CYBMUJFWSA-N 0 0 306.362 0.819 50 0 DCAARN NC(=O)[C@@H]1CCN(Cn2nc(-c3ccc(F)cc3)oc2=O)C1 ZINC000062639999 184246156 /nfs/dbraw/zinc/24/61/56/184246156.db2.gz OKGLFPOBTULLSC-SNVBAGLBSA-N 0 0 306.297 0.407 50 0 DCAARN CN(C)c1cc(O[C@H]2CCN(C(=O)c3cnccn3)C2)ncn1 ZINC000065269297 184320240 /nfs/dbraw/zinc/32/02/40/184320240.db2.gz CVLZIPBRIHSECH-NSHDSACASA-N 0 0 314.349 0.626 50 0 DCAARN COCCNC(=O)c1nc2cccnc2n(CC(C)C)c1=O ZINC000065282852 184320958 /nfs/dbraw/zinc/32/09/58/184320958.db2.gz JQDYJTIJMCFDIX-UHFFFAOYSA-N 0 0 304.350 0.824 50 0 DCAARN Cc1ccsc1CCNC(=O)C[C@@H]1C(=O)N(C)C(=O)N1C ZINC000065371034 184330062 /nfs/dbraw/zinc/33/00/62/184330062.db2.gz FANIDQMTDWFNPV-SNVBAGLBSA-N 0 0 309.391 0.998 50 0 DCAARN COCCn1cc(NC(=O)N[C@@H](C)CN2CCOCC2)cn1 ZINC000065418192 184341142 /nfs/dbraw/zinc/34/11/42/184341142.db2.gz BJSQYHQEQBOLOX-LBPRGKRZSA-N 0 0 311.386 0.372 50 0 DCAARN CCn1cnnc1CNC(=O)NC[C@@](C)(CC)N1CCOCC1 ZINC000065434692 184344827 /nfs/dbraw/zinc/34/48/27/184344827.db2.gz WUEYRKOQZRSYMA-OAHLLOKOSA-N 0 0 324.429 0.598 50 0 DCAARN C[C@H]1CN(CCNC(=O)NCCCn2ccnc2)C[C@H](C)O1 ZINC000065452702 184346945 /nfs/dbraw/zinc/34/69/45/184346945.db2.gz BFFLQNKFNRJBKM-KBPBESRZSA-N 0 0 309.414 0.682 50 0 DCAARN Cc1nn(C)c2ncc(NC(=O)N[C@@H]3CCS(=O)(=O)C3)cc12 ZINC000065456843 184347289 /nfs/dbraw/zinc/34/72/89/184347289.db2.gz IBHQRRAMOIFCEP-SECBINFHSA-N 0 0 323.378 0.585 50 0 DCAARN Cc1cccc(-c2noc(CN3C[C@H](O)C[C@@H]3C(N)=O)n2)c1 ZINC000065493553 184354445 /nfs/dbraw/zinc/35/44/45/184354445.db2.gz HFLORROLUAKDEX-VXGBXAGGSA-N 0 0 302.334 0.466 50 0 DCAARN Cc1cc(C(F)(F)F)nc(CCNC(=O)CNC(N)=O)n1 ZINC000215333915 291788862 /nfs/dbraw/zinc/78/88/62/291788862.db2.gz YEPJWVFWHVTFQM-UHFFFAOYSA-N 0 0 305.260 0.131 50 0 DCAARN Cc1cccc(CNC(=O)N2CCN3CCN(C)C(=O)[C@H]3C2)c1 ZINC000065406860 184338664 /nfs/dbraw/zinc/33/86/64/184338664.db2.gz BEMLOEGJKYCRKR-OAHLLOKOSA-N 0 0 316.405 0.663 50 0 DCAARN CCOc1ccccc1-n1c(=O)[nH]nc1[C@@H]1CC(=O)N(C)C1 ZINC000065525602 184359378 /nfs/dbraw/zinc/35/93/78/184359378.db2.gz SYGJBLZCPUGEHC-SNVBAGLBSA-N 0 0 302.334 0.905 50 0 DCAARN CC[C@@](C)(CNC(=O)N[C@@H](C)c1nncn1C)N1CCOCC1 ZINC000065566920 184367219 /nfs/dbraw/zinc/36/72/19/184367219.db2.gz QYXUDKSOFXGUEH-WFASDCNBSA-N 0 0 324.429 0.676 50 0 DCAARN CCNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)Nc1cccc(C)n1 ZINC000065609376 184372532 /nfs/dbraw/zinc/37/25/32/184372532.db2.gz RNLILYKJAFSSFS-LLVKDONJSA-N 0 0 321.381 0.495 50 0 DCAARN COC[C@]1(C)NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O ZINC000066084233 184387980 /nfs/dbraw/zinc/38/79/80/184387980.db2.gz GLVFCLMVXBIAGB-INIZCTEOSA-N 0 0 319.361 0.602 50 0 DCAARN CC[C@H](O)CNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 ZINC000067605465 184474816 /nfs/dbraw/zinc/47/48/16/184474816.db2.gz GPEPVAJYCWTFLS-NSHDSACASA-N 0 0 300.380 0.452 50 0 DCAARN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000067623059 184475335 /nfs/dbraw/zinc/47/53/35/184475335.db2.gz QBQZTFSPDOHZIZ-NWDGAFQWSA-N 0 0 316.423 0.281 50 0 DCAARN C[C@@H](NC(=O)CC1CCCCC1)C(=O)NCC(=O)NC1CC1 ZINC000069349535 184508409 /nfs/dbraw/zinc/50/84/09/184508409.db2.gz AETHURCDSPETNW-LLVKDONJSA-N 0 0 309.410 0.856 50 0 DCAARN O=c1onc(-c2cccnc2)n1Cc1cc(=O)n2ccccc2n1 ZINC000069562577 184525848 /nfs/dbraw/zinc/52/58/48/184525848.db2.gz SVQWOARYVIEHKD-UHFFFAOYSA-N 0 0 321.296 0.955 50 0 DCAARN Cc1cnn(CCNC(=O)c2c(C)oc3nc[nH]c(=O)c32)c1 ZINC000117809403 194850074 /nfs/dbraw/zinc/85/00/74/194850074.db2.gz FBOFQIZRDTXLRX-UHFFFAOYSA-N 0 0 301.306 0.759 50 0 DCAARN Cn1nncc1S(=O)(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000337980981 252908901 /nfs/dbraw/zinc/90/89/01/252908901.db2.gz UAYLQFSMSSFWKS-LLVKDONJSA-N 0 0 308.363 0.487 50 0 DCAARN COc1ccccc1N1CC[C@@H](NC(=O)N2CC(CO)C2)C1 ZINC000189539675 256592461 /nfs/dbraw/zinc/59/24/61/256592461.db2.gz PLUKDRHRDWCJCV-CYBMUJFWSA-N 0 0 305.378 0.908 50 0 DCAARN C[C@@H](C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1)n1cnnn1 ZINC000524733064 257214055 /nfs/dbraw/zinc/21/40/55/257214055.db2.gz PVXIMXMOCAFXBI-JTQLQIEISA-N 0 0 324.385 0.750 50 0 DCAARN O=C(NCCCc1nnc2ccccn21)[C@H]1CCS(=O)(=O)C1 ZINC000426684525 257244269 /nfs/dbraw/zinc/24/42/69/257244269.db2.gz PNCRDDQJKISEPN-NSHDSACASA-N 0 0 322.390 0.213 50 0 DCAARN Cc1nc2c([nH]1)CCN(C(=O)NCCSc1nnnn1C)C2 ZINC000426574804 257245781 /nfs/dbraw/zinc/24/57/81/257245781.db2.gz FJCQUZUQMXNROL-UHFFFAOYSA-N 0 0 322.398 0.102 50 0 DCAARN CCCc1cc(CN(C)C(=O)CN2C(=O)CN(C)C2=O)[nH]n1 ZINC000426571845 257246076 /nfs/dbraw/zinc/24/60/76/257246076.db2.gz VWKAGRFAQRSNKN-UHFFFAOYSA-N 0 0 307.354 0.215 50 0 DCAARN C[C@H]1Cc2cc(CNC(=O)CN3CCN(C)C3=O)ccc2O1 ZINC000426574749 257246220 /nfs/dbraw/zinc/24/62/20/257246220.db2.gz ATAUZICJAIEQLD-NSHDSACASA-N 0 0 303.362 0.994 50 0 DCAARN COc1ccc(-n2c(C[NH3+])nnc2SC[C@@H](O)CO)cc1 ZINC000426580994 257246351 /nfs/dbraw/zinc/24/63/51/257246351.db2.gz LXOYJPFFLAORHL-JTQLQIEISA-N 0 0 310.379 0.180 50 0 DCAARN CCN(C(=O)Nc1cccn2cnnc12)[C@@H]1CCS(=O)(=O)C1 ZINC000426552416 257247303 /nfs/dbraw/zinc/24/73/03/257247303.db2.gz YAVUNDFZSYDHBR-SNVBAGLBSA-N 0 0 323.378 0.770 50 0 DCAARN O=C(NCCc1c[nH]cn1)N1CCC2(CC1)OCCC[C@@H]2O ZINC000426517985 257248006 /nfs/dbraw/zinc/24/80/06/257248006.db2.gz UKGMPAMVOMKLKT-ZDUSSCGKSA-N 0 0 308.382 0.668 50 0 DCAARN O=C(NCc1noc(-c2ccccc2)n1)N(CCO)CCO ZINC000426477559 257249222 /nfs/dbraw/zinc/24/92/22/257249222.db2.gz LOIOUIHKPOSJQG-UHFFFAOYSA-N 0 0 306.322 0.233 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)[C@H](C)OC[C@H]2CCCO2)CC1 ZINC000252475210 257258813 /nfs/dbraw/zinc/25/88/13/257258813.db2.gz VYJHEEPOWIRGTH-SOUVJXGZSA-N 0 0 314.426 0.486 50 0 DCAARN O[C@@H]1CO[C@@H](Nc2ccc(Br)cc2)[C@@H](O)[C@H]1O ZINC000012374610 285332879 /nfs/dbraw/zinc/33/28/79/285332879.db2.gz XNRPWNFGHKJOMI-VPOLOUISSA-N 0 0 304.140 0.300 50 0 DCAARN NC(=O)[C@@H](CNC(=O)c1cnccn1)Cc1ccc(F)cc1 ZINC000071826894 184857153 /nfs/dbraw/zinc/85/71/53/184857153.db2.gz IQVHFJVVGFHFPA-LLVKDONJSA-N 0 0 302.309 0.690 50 0 DCAARN C[C@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H](c2ccccc2)O1 ZINC000071828236 184857589 /nfs/dbraw/zinc/85/75/89/184857589.db2.gz FXBVAKBWISAFTR-DZGCQCFKSA-N 0 0 317.389 0.407 50 0 DCAARN Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)on1 ZINC000069618702 184826044 /nfs/dbraw/zinc/82/60/44/184826044.db2.gz SFEQMKFZLSNNHG-CQSZACIVSA-N 0 0 318.289 0.982 50 0 DCAARN COc1cccc(CCC(=O)N2CC[C@@H](C(N)=O)C2)c1OC ZINC000071793017 184842201 /nfs/dbraw/zinc/84/22/01/184842201.db2.gz SFRFCRJXKGDZFN-GFCCVEGCSA-N 0 0 306.362 0.970 50 0 DCAARN CSCC(=O)N1CC[C@@H](NC(=O)c2cc(C)on2)[C@H](O)C1 ZINC000299796451 533516841 /nfs/dbraw/zinc/51/68/41/533516841.db2.gz OACXETSYQMUOCK-MWLCHTKSSA-N 0 0 313.379 0.038 50 0 DCAARN C[C@H]1OCCN(C(=O)Cn2ccc(C(F)(F)F)n2)[C@@H]1C(N)=O ZINC000285272256 131153279 /nfs/dbraw/zinc/15/32/79/131153279.db2.gz HYVIPTZJEVEMAQ-XCBNKYQSSA-N 0 0 320.271 0.003 50 0 DCAARN COC[C@@H](C)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC000032660565 134682173 /nfs/dbraw/zinc/68/21/73/134682173.db2.gz ZKWUVYFMRRMRRN-GHMZBOCLSA-N 0 0 304.350 0.476 50 0 DCAARN Cc1cc(NC(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)no1 ZINC000057752302 134784201 /nfs/dbraw/zinc/78/42/01/134784201.db2.gz WTEQOLXZNSGRAC-GFCCVEGCSA-N 0 0 316.365 0.922 50 0 DCAARN O=C(Cn1ccccc1=O)NCCc1ccc2c(c1)OCCO2 ZINC000008268074 395684276 /nfs/dbraw/zinc/68/42/76/395684276.db2.gz MVMYNHYVTPUMMW-UHFFFAOYSA-N 0 0 314.341 0.978 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)NCCc1ccc(Cl)cc1 ZINC000008275481 395684289 /nfs/dbraw/zinc/68/42/89/395684289.db2.gz YYLBKCXGCVEFFC-UHFFFAOYSA-N 0 0 307.737 0.549 50 0 DCAARN COC(=O)CCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000008277419 395684326 /nfs/dbraw/zinc/68/43/26/395684326.db2.gz ISSVAAFCTZMCBK-UHFFFAOYSA-N 0 0 321.301 0.976 50 0 DCAARN Cc1nn2c(nnc2SCC(=O)Nc2nccs2)[nH]c1=O ZINC000009316057 395685346 /nfs/dbraw/zinc/68/53/46/395685346.db2.gz WQTMBIBCCPQJHI-UHFFFAOYSA-N 0 0 323.363 0.721 50 0 DCAARN CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)OC)cc1 ZINC000009479988 395685410 /nfs/dbraw/zinc/68/54/10/395685410.db2.gz YFWHXDCEJJWYHF-SECBINFHSA-N 0 0 322.317 0.864 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000009531637 395685466 /nfs/dbraw/zinc/68/54/66/395685466.db2.gz KJEQSSOEWWFVTH-UHFFFAOYSA-N 0 0 307.375 0.885 50 0 DCAARN CCOC(=O)CN1C(=O)CN(C(=O)c2ccccc2)C1=S ZINC000009833252 395685664 /nfs/dbraw/zinc/68/56/64/395685664.db2.gz NWIKCRZEBAGJSF-UHFFFAOYSA-N 0 0 306.343 0.819 50 0 DCAARN COc1ccccc1CNC(=O)C(=O)NCCCn1ccnc1 ZINC000009855720 395685675 /nfs/dbraw/zinc/68/56/75/395685675.db2.gz JKTMZSNEGLYKQW-UHFFFAOYSA-N 0 0 316.361 0.714 50 0 DCAARN Cc1ccc(-c2nnn(Cc3cc(=O)n(C)c(=O)n3C)n2)cc1 ZINC000011283116 395686382 /nfs/dbraw/zinc/68/63/82/395686382.db2.gz JWAWJJUBXPQVHF-UHFFFAOYSA-N 0 0 312.333 0.094 50 0 DCAARN CN1C(=O)NC2(CCN(C(=O)c3cccc(F)c3)CC2)C1=O ZINC000011612492 395686707 /nfs/dbraw/zinc/68/67/07/395686707.db2.gz JGWPFHSIVCBGSC-UHFFFAOYSA-N 0 0 305.309 0.982 50 0 DCAARN Nc1cc(=O)[nH]c(SCc2nnnn2-c2ccccc2)n1 ZINC000012042794 395686911 /nfs/dbraw/zinc/68/69/11/395686911.db2.gz CVYGDWSYZZDMPL-UHFFFAOYSA-N 0 0 301.335 0.620 50 0 DCAARN CCn1c(=O)c2c(nc3n2CCN3Cc2ccco2)n(C)c1=O ZINC000012140509 395687124 /nfs/dbraw/zinc/68/71/24/395687124.db2.gz ZCTQWLRBZPUQBA-UHFFFAOYSA-N 0 0 315.333 0.530 50 0 DCAARN Cc1cccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@H](C)O)C3)c1 ZINC000012346155 395687298 /nfs/dbraw/zinc/68/72/98/395687298.db2.gz ZERPOGBWZUIPNS-IINYFYTJSA-N 0 0 301.346 0.826 50 0 DCAARN CC(C)CCNC(=O)NC(=O)CSc1nnnn1C1CC1 ZINC000012991561 395688293 /nfs/dbraw/zinc/68/82/93/395688293.db2.gz NXZALVZCSOFWQB-UHFFFAOYSA-N 0 0 312.399 0.972 50 0 DCAARN COCCNC(=O)CNS(=O)(=O)c1ccc(F)cc1Cl ZINC000012984558 395688301 /nfs/dbraw/zinc/68/83/01/395688301.db2.gz IDZFXCCWCKWFLN-UHFFFAOYSA-N 0 0 324.761 0.520 50 0 DCAARN Cc1ccc(NC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000013323705 395688559 /nfs/dbraw/zinc/68/85/59/395688559.db2.gz WTWOXGXYFAQTLL-UHFFFAOYSA-N 0 0 311.407 0.511 50 0 DCAARN CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn32)cc1 ZINC000013721599 395688964 /nfs/dbraw/zinc/68/89/64/395688964.db2.gz SUGKGNFTALIJMH-NSHDSACASA-N 0 0 314.305 0.759 50 0 DCAARN COC(=O)[C@@H](C)OC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000014070655 395689127 /nfs/dbraw/zinc/68/91/27/395689127.db2.gz RBBCDNGEQMJKHM-SECBINFHSA-N 0 0 304.302 0.960 50 0 DCAARN CC[C@@H]1NC(=O)[C@H]2CN(Cc3ccc(OC)cc3)CCN2C1=O ZINC000014755901 395689623 /nfs/dbraw/zinc/68/96/23/395689623.db2.gz HHCYJEWBGVBMBN-LSDHHAIUSA-N 0 0 317.389 0.616 50 0 DCAARN CC[C@@H]1NC(=O)[C@H]2CN(C(=O)Nc3ccccc3)CCN2C1=O ZINC000014745601 395689691 /nfs/dbraw/zinc/68/96/91/395689691.db2.gz YCWCBDBYUCCXNP-QWHCGFSZSA-N 0 0 316.361 0.640 50 0 DCAARN C[C@@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)NCCO)cn1c32 ZINC000019909938 395691096 /nfs/dbraw/zinc/69/10/96/395691096.db2.gz CJMDZRSSAFNUCA-SSDOTTSWSA-N 0 0 324.283 0.955 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)CN1C(=O)COc2ccccc21 ZINC000024474641 395692815 /nfs/dbraw/zinc/69/28/15/395692815.db2.gz MSZKRGZALIYYBN-UHFFFAOYSA-N 0 0 314.345 0.804 50 0 DCAARN NC(=O)C1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000000107128 395679766 /nfs/dbraw/zinc/67/97/66/395679766.db2.gz LEXRRCJHMUDEFU-UHFFFAOYSA-N 0 0 315.329 0.007 50 0 DCAARN CNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000000119685 395679853 /nfs/dbraw/zinc/67/98/53/395679853.db2.gz URPANXUHEDIZOO-UHFFFAOYSA-N 0 0 303.297 0.652 50 0 DCAARN Cc1ccc(Cn2c(NN)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000351092 395680251 /nfs/dbraw/zinc/68/02/51/395680251.db2.gz GKGOCHBHLFDFTR-UHFFFAOYSA-N 0 0 314.349 0.076 50 0 DCAARN CS(=O)(=O)N(CC(N)=O)c1cccc(Br)c1 ZINC000000379545 395680283 /nfs/dbraw/zinc/68/02/83/395680283.db2.gz AVMRLZUOWLIZPW-UHFFFAOYSA-N 0 0 307.169 0.700 50 0 DCAARN Cc1cccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c1C ZINC000000423268 395680486 /nfs/dbraw/zinc/68/04/86/395680486.db2.gz NXGKTBFWTZHXML-UHFFFAOYSA-N 0 0 309.347 0.789 50 0 DCAARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)nnn3C)CC1 ZINC000000619105 395680500 /nfs/dbraw/zinc/68/05/00/395680500.db2.gz DXTABFULLPNMMG-UHFFFAOYSA-N 0 0 317.349 0.883 50 0 DCAARN COC(=O)C1=C[C@]2(CC(=O)N(c3cccc(C)c3)C2=O)NN1 ZINC000000545976 395680516 /nfs/dbraw/zinc/68/05/16/395680516.db2.gz XLGHPPXKNHWRQZ-OAHLLOKOSA-N 0 0 301.302 0.519 50 0 DCAARN COC(=O)C1=C[C@]2(CC(=O)N(c3cc(C)cc(C)c3)C2=O)NN1 ZINC000000535291 395680585 /nfs/dbraw/zinc/68/05/85/395680585.db2.gz XNKIBSDEZRAHEP-MRXNPFEDSA-N 0 0 315.329 0.828 50 0 DCAARN COc1ccccc1CNc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000001409297 395680742 /nfs/dbraw/zinc/68/07/42/395680742.db2.gz QCBCLSIWSPQWCZ-UHFFFAOYSA-N 0 0 315.333 0.581 50 0 DCAARN NC(=O)[C@@]1(CCC(=O)NCc2ccccc2)CCC(=O)NC1 ZINC000001424730 395680847 /nfs/dbraw/zinc/68/08/47/395680847.db2.gz ZBUIRBMLSAQOHA-INIZCTEOSA-N 0 0 303.362 0.465 50 0 DCAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCNC(=O)CC2)cc1 ZINC000001463595 395680935 /nfs/dbraw/zinc/68/09/35/395680935.db2.gz OTUXMLRFMKHMHS-UHFFFAOYSA-N 0 0 311.363 0.156 50 0 DCAARN CCOC(=O)[C@@H](CO)NC(=O)c1cncc(Br)c1 ZINC000002434856 395681547 /nfs/dbraw/zinc/68/15/47/395681547.db2.gz PJBZMYUYRKWIIC-SECBINFHSA-N 0 0 317.139 0.498 50 0 DCAARN CS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCOCC1 ZINC000002478122 395681586 /nfs/dbraw/zinc/68/15/86/395681586.db2.gz APHYVHKBWZKIAY-UHFFFAOYSA-N 0 0 323.374 0.299 50 0 DCAARN CN1C(=O)N[C@@](NC(=O)c2ccc(F)cc2)(C(F)(F)F)C1=O ZINC000002373895 395681613 /nfs/dbraw/zinc/68/16/13/395681613.db2.gz QJBIZEKKJUWETQ-LLVKDONJSA-N 0 0 319.214 0.996 50 0 DCAARN CCS(=O)(=O)NCc1cccc(CNS(=O)(=O)CC)c1 ZINC000002752214 395681848 /nfs/dbraw/zinc/68/18/48/395681848.db2.gz FVGXAVBUCQIFST-UHFFFAOYSA-N 0 0 320.436 0.565 50 0 DCAARN CCOC(=O)c1cnn(C)c1NC(=O)c1nc2ncccn2n1 ZINC000002808792 395681913 /nfs/dbraw/zinc/68/19/13/395681913.db2.gz GRHOZGMXFFQJSO-UHFFFAOYSA-N 0 0 315.293 0.287 50 0 DCAARN Cn1nccc1C(=O)Nn1c(=O)c2ccccc2[nH]c1=S ZINC000002791078 395681974 /nfs/dbraw/zinc/68/19/74/395681974.db2.gz MLXLPMVOZCQUIN-UHFFFAOYSA-N 0 0 301.331 0.803 50 0 DCAARN CCOC(=O)CNC(=S)Nc1ccc(S(N)(=O)=O)cc1 ZINC000002851133 395681997 /nfs/dbraw/zinc/68/19/97/395681997.db2.gz IQIHDQPRMMQQLT-UHFFFAOYSA-N 0 0 317.392 0.184 50 0 DCAARN Cn1cnnc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000003251276 395682373 /nfs/dbraw/zinc/68/23/73/395682373.db2.gz WATUGOAGWPDAFK-UHFFFAOYSA-N 0 0 306.347 0.952 50 0 DCAARN Cc1nnc2sc(SCC(=O)N3CCCC3)nn2c1=O ZINC000004347037 395682488 /nfs/dbraw/zinc/68/24/88/395682488.db2.gz UWPYRMFVSOQIDR-UHFFFAOYSA-N 0 0 311.392 0.569 50 0 DCAARN CC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000005077238 395682671 /nfs/dbraw/zinc/68/26/71/395682671.db2.gz ANZCCIVWEWKPQH-OAHLLOKOSA-N 0 0 304.302 0.814 50 0 DCAARN CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000005450036 395682730 /nfs/dbraw/zinc/68/27/30/395682730.db2.gz BDTLPVUGMRLCBK-HNNXBMFYSA-N 0 0 319.317 0.271 50 0 DCAARN CCOC(=O)CNC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000006206159 395682950 /nfs/dbraw/zinc/68/29/50/395682950.db2.gz KFAPJLNDDTYUNG-NWDGAFQWSA-N 0 0 319.361 0.540 50 0 biogenic DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCSCC2)C1 ZINC000006744310 395683048 /nfs/dbraw/zinc/68/30/48/395683048.db2.gz VPXZJXREFAKSOO-NSHDSACASA-N 0 0 306.453 0.624 50 0 DCAARN CCCn1nnnc1NCc1ccc2c(c1)n(C)c(=O)n2C ZINC000007263436 395683309 /nfs/dbraw/zinc/68/33/09/395683309.db2.gz DLASJVIPBMWFTO-UHFFFAOYSA-N 0 0 301.354 0.886 50 0 DCAARN COC(=O)CCCNC(=O)COc1ccc(C(=O)OC)cc1 ZINC000007897427 395683655 /nfs/dbraw/zinc/68/36/55/395683655.db2.gz IFYUIUWHOKHWKR-UHFFFAOYSA-N 0 0 309.318 0.921 50 0 DCAARN NC(=O)[C@H]1CCCCN1C(=O)COC(=O)COc1ccccc1 ZINC000007895916 395683656 /nfs/dbraw/zinc/68/36/56/395683656.db2.gz JEDZVRFEJLALQU-CYBMUJFWSA-N 0 0 320.345 0.475 50 0 DCAARN CNC(=O)c1ccc(CN(C)C(=O)CN2CSCC2=O)cc1 ZINC000007847537 395683762 /nfs/dbraw/zinc/68/37/62/395683762.db2.gz QMHPFFZJUZLHRO-UHFFFAOYSA-N 0 0 321.402 0.538 50 0 DCAARN O=C(c1cnn2c1OCCC2)N1CCN(c2ncccn2)CC1 ZINC000085555364 395701365 /nfs/dbraw/zinc/70/13/65/395701365.db2.gz IIJNSBHQMMVXSU-UHFFFAOYSA-N 0 0 314.349 0.418 50 0 DCAARN COCCn1nc(C(=O)Nc2ccc(OC)nc2)ccc1=O ZINC000030057570 395701551 /nfs/dbraw/zinc/70/15/51/395701551.db2.gz FTEAITCRVAFOTL-UHFFFAOYSA-N 0 0 304.306 0.546 50 0 DCAARN O=C(CNC(=O)c1cc(Cl)ccn1)NCCCn1cccn1 ZINC000030169704 395701894 /nfs/dbraw/zinc/70/18/94/395701894.db2.gz INWYEPRQANQDHC-UHFFFAOYSA-N 0 0 321.768 0.868 50 0 DCAARN COC(=O)CNC(=O)c1cc(-c2ccccc2)nc2ncnn21 ZINC000036619134 395723936 /nfs/dbraw/zinc/72/39/36/395723936.db2.gz UPHNJZMZJBWXGG-UHFFFAOYSA-N 0 0 311.301 0.694 50 0 DCAARN CCN1C(=O)C(=O)N(Cc2cc(=O)n3ccc(C)cc3n2)C1=O ZINC000031706689 395707717 /nfs/dbraw/zinc/70/77/17/395707717.db2.gz WFHJJEFSZVRWDB-UHFFFAOYSA-N 0 0 314.301 0.314 50 0 DCAARN COC(=O)Cn1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2 ZINC000032106658 395709570 /nfs/dbraw/zinc/70/95/70/395709570.db2.gz RZLJNKMJJDKPOK-UHFFFAOYSA-N 0 0 306.253 0.345 50 0 DCAARN CN(C)c1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)ccn1 ZINC000089322966 395709854 /nfs/dbraw/zinc/70/98/54/395709854.db2.gz QYMHVZSJZHURSY-HUUCEWRRSA-N 0 0 318.421 0.819 50 0 DCAARN CCc1nnc([C@H]2CN(Cc3ccn(C)c(=O)c3)CCO2)[nH]1 ZINC000089289845 395709894 /nfs/dbraw/zinc/70/98/94/395709894.db2.gz HXNTWXYHPBGDBS-GFCCVEGCSA-N 0 0 303.366 0.639 50 0 DCAARN Cc1c2nnn(CC(=O)N3CCc4ccccc43)c(=O)c2nn1C ZINC000032647398 395711887 /nfs/dbraw/zinc/71/18/87/395711887.db2.gz DFZLULPQTWGJEU-UHFFFAOYSA-N 0 0 324.344 0.423 50 0 DCAARN O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1ccc(F)cc1F ZINC000032689103 395712316 /nfs/dbraw/zinc/71/23/16/395712316.db2.gz WOLXRVUFVIRXTA-UHFFFAOYSA-N 0 0 323.255 0.857 50 0 DCAARN CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(=O)[nH]n2)cc1 ZINC000032667539 395712439 /nfs/dbraw/zinc/71/24/39/395712439.db2.gz DUTMWDYRMROWLA-UHFFFAOYSA-N 0 0 322.346 0.020 50 0 DCAARN Cc1cc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)nc(C)n1 ZINC000032782344 395713471 /nfs/dbraw/zinc/71/34/71/395713471.db2.gz PKXLTINUVQXVMY-JTQLQIEISA-N 0 0 315.420 0.489 50 0 DCAARN CC(C)N1C[C@H](C(=O)NCC(C)(C)N2CCOCC2)CC1=O ZINC000032816103 395713672 /nfs/dbraw/zinc/71/36/72/395713672.db2.gz QBQJDRXODGHQLG-CYBMUJFWSA-N 0 0 311.426 0.470 50 0 DCAARN CNC(=O)CN(C)C(=O)CCn1cnc2c(C)cccc2c1=O ZINC000089689040 395713711 /nfs/dbraw/zinc/71/37/11/395713711.db2.gz QRDNTQXROHEJRT-UHFFFAOYSA-N 0 0 316.361 0.299 50 0 DCAARN Cc1ccc(CC(=O)N2CCN([C@H]3CCNC3=O)CC2)cc1 ZINC000089632178 395713970 /nfs/dbraw/zinc/71/39/70/395713970.db2.gz ANMARJAOIVQAFS-HNNXBMFYSA-N 0 0 301.390 0.570 50 0 DCAARN CCN(CC)S(=O)(=O)N(C)CC(=O)NCc1ccco1 ZINC000032876599 395714221 /nfs/dbraw/zinc/71/42/21/395714221.db2.gz GMPVGHVQBMGHTM-UHFFFAOYSA-N 0 0 303.384 0.414 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCc1c(F)cccc1F ZINC000036708413 395724345 /nfs/dbraw/zinc/72/43/45/395724345.db2.gz UXNSVVTYZZRIJP-UHFFFAOYSA-N 0 0 309.272 0.509 50 0 DCAARN NS(=O)(=O)c1ccc(CNC(=O)NCC(F)(F)F)cc1 ZINC000089787869 395715285 /nfs/dbraw/zinc/71/52/85/395715285.db2.gz KXJBOXQDWSLHPN-UHFFFAOYSA-N 0 0 311.285 0.696 50 0 DCAARN O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@H]1CNC(=O)N1 ZINC000089783148 395715445 /nfs/dbraw/zinc/71/54/45/395715445.db2.gz NINFQIXMJZEXSI-CYBMUJFWSA-N 0 0 321.352 0.672 50 0 DCAARN CN1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1 ZINC000033545137 395717602 /nfs/dbraw/zinc/71/76/02/395717602.db2.gz GKUUBGVJQQBCQX-UHFFFAOYSA-N 0 0 300.362 0.561 50 0 DCAARN O=C(COc1ccc(F)cc1Cl)N1CCN(CCO)CC1 ZINC000035110123 395718675 /nfs/dbraw/zinc/71/86/75/395718675.db2.gz UCPWGBREGBDUDN-UHFFFAOYSA-N 0 0 316.760 0.994 50 0 DCAARN CN(C)Cc1c(C(=O)c2ccc(F)cc2)c(=O)n(C)c(=O)n1C ZINC000036357728 395723393 /nfs/dbraw/zinc/72/33/93/395723393.db2.gz PLVTYNABYCVCDX-UHFFFAOYSA-N 0 0 319.336 0.516 50 0 DCAARN CC(=O)Nc1ccc(NC(=O)CN2CCN(C(C)=O)CC2)cc1 ZINC000036389881 395723413 /nfs/dbraw/zinc/72/34/13/395723413.db2.gz KCDNBYULYFHEMN-UHFFFAOYSA-N 0 0 318.377 0.748 50 0 DCAARN CCN(Cc1ccccc1)c1c(N)n(CCOC)c(=O)[nH]c1=O ZINC000027275122 395694854 /nfs/dbraw/zinc/69/48/54/395694854.db2.gz GTSVFCMITXPSHW-UHFFFAOYSA-N 0 0 318.377 0.792 50 0 DCAARN CC(C)CCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000028097522 395695739 /nfs/dbraw/zinc/69/57/39/395695739.db2.gz YFWCGDGJNXHNPP-NEPJUHHUSA-N 0 0 316.423 0.184 50 0 DCAARN CC1(C)NC(=O)N(CCN2CCN(c3nccs3)CC2)C1=O ZINC000028082123 395695753 /nfs/dbraw/zinc/69/57/53/395695753.db2.gz KRVCJXZCQVRMEY-UHFFFAOYSA-N 0 0 323.422 0.596 50 0 DCAARN Cn1ncc2c1ncnc2N1CCN(C(=O)C2CCC2)CC1 ZINC000029080736 395696793 /nfs/dbraw/zinc/69/67/93/395696793.db2.gz OOSBBYYKSRAOMG-UHFFFAOYSA-N 0 0 300.366 0.812 50 0 DCAARN CC(C)N1C(=O)N[C@@]2(CCN(Cc3nc(C4CC4)no3)C2)C1=O ZINC000084597417 395698100 /nfs/dbraw/zinc/69/81/00/395698100.db2.gz AGZUDFHWBRUGQL-OAHLLOKOSA-N 0 0 319.365 0.852 50 0 DCAARN COCC(=O)N1CCC(c2nnc(Cn3cccn3)n2C)CC1 ZINC000096131315 395745640 /nfs/dbraw/zinc/74/56/40/395745640.db2.gz JTZCLFPUGOIBRP-UHFFFAOYSA-N 0 0 318.381 0.412 50 0 DCAARN COc1ccnc(N2CCC(c3nccn3CC(N)=O)CC2)n1 ZINC000096139298 395745999 /nfs/dbraw/zinc/74/59/99/395745999.db2.gz PLAOLARBRHZPJP-UHFFFAOYSA-N 0 0 316.365 0.551 50 0 DCAARN O=c1onc(-c2cnccn2)n1Cc1cnn(-c2ccccc2)n1 ZINC000096402812 395752874 /nfs/dbraw/zinc/75/28/74/395752874.db2.gz XYSFFMHHLQWKGI-UHFFFAOYSA-N 0 0 321.300 0.922 50 0 DCAARN CCc1nnc2n1C[C@H](NC(=O)c1cnn3cccnc13)CC2 ZINC000097198023 395755611 /nfs/dbraw/zinc/75/56/11/395755611.db2.gz HXETYGAUUGRIRP-SNVBAGLBSA-N 0 0 311.349 0.628 50 0 DCAARN Cc1nnc2n1C[C@H](NC(=O)CS(=O)(=O)CC(C)C)CC2 ZINC000097198657 395755640 /nfs/dbraw/zinc/75/56/40/395755640.db2.gz ZJWSQADXRYQTJH-LLVKDONJSA-N 0 0 314.411 0.088 50 0 DCAARN COc1ncnc2c1CN(CCC(=O)N1CCOCC1)CC2 ZINC000097201836 395755951 /nfs/dbraw/zinc/75/59/51/395755951.db2.gz FCTLYOIJUQQAQW-UHFFFAOYSA-N 0 0 306.366 0.092 50 0 DCAARN COc1ccccc1/C(C)=C\C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000097298192 395757119 /nfs/dbraw/zinc/75/71/19/395757119.db2.gz SNWBVBZLTAVLEU-RBJHHQRMSA-N 0 0 304.346 0.811 50 0 DCAARN O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CCC(=O)NC(=O)N1 ZINC000097413192 395757530 /nfs/dbraw/zinc/75/75/30/395757530.db2.gz BYYMHAGZLDAXQP-SNVBAGLBSA-N 0 0 319.317 0.062 50 0 DCAARN CC(C)=CC(=O)N1CCN(Cc2cnn(C)c2C)C[C@@H](O)C1 ZINC000097394394 395757750 /nfs/dbraw/zinc/75/77/50/395757750.db2.gz YCMAUKNGPMIGMA-OAHLLOKOSA-N 0 0 306.410 0.700 50 0 DCAARN COC(=O)N1CCN(C(=O)CCn2c(C)cccc2=O)CC1 ZINC000097480359 395757972 /nfs/dbraw/zinc/75/79/72/395757972.db2.gz WKPFONPOBYLISX-UHFFFAOYSA-N 0 0 307.350 0.457 50 0 DCAARN Cc1cc(C)n2nc(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)nc2n1 ZINC000046894676 395782395 /nfs/dbraw/zinc/78/23/95/395782395.db2.gz ZIXOTNFUCTZTDK-TXEJJXNPSA-N 0 0 303.366 0.919 50 0 DCAARN C[C@H](CNC(=O)N[C@@H](C)c1nncn1C)N1C[C@@H](C)O[C@H](C)C1 ZINC000106567707 395783331 /nfs/dbraw/zinc/78/33/31/395783331.db2.gz KIUMMGJDGMFOEX-LPWJVIDDSA-N 0 0 324.429 0.673 50 0 DCAARN C[C@@H]1C[N@H+](C)C[C@H]1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000107058937 395784780 /nfs/dbraw/zinc/78/47/80/395784780.db2.gz SYWQYRYUWNNCBH-QMTHXVAHSA-N 0 0 323.418 0.800 50 0 DCAARN Cc1cccn2c(CC(=O)N[C@@H]3C=CS(=O)(=O)C3)cnc12 ZINC000097505973 395758578 /nfs/dbraw/zinc/75/85/78/395758578.db2.gz TVOCHYQSXJZRCV-LLVKDONJSA-N 0 0 305.359 0.612 50 0 DCAARN COc1ccccc1CNC(=O)CN1CC[C@](C)(O)[C@@H](O)C1 ZINC000097568867 395758597 /nfs/dbraw/zinc/75/85/97/395758597.db2.gz GALSWPVSLLGMOB-HOCLYGCPSA-N 0 0 308.378 0.129 50 0 DCAARN O=C([O-])C[NH+]1CCC2(CCN(Cc3ncc[nH]3)C[C@H]2CO)CC1 ZINC000097594723 395759441 /nfs/dbraw/zinc/75/94/41/395759441.db2.gz RMHKAARRRMBVBK-ZDUSSCGKSA-N 0 0 322.409 0.391 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1CCOc2ccccc21 ZINC000097922865 395760857 /nfs/dbraw/zinc/76/08/57/395760857.db2.gz CBXPBIIOUKOUCP-GHMZBOCLSA-N 0 0 303.318 0.615 50 0 DCAARN NC(=O)CN1CCN(Cc2cc3ccccc3o2)C[C@@H](O)C1 ZINC000097813826 395760933 /nfs/dbraw/zinc/76/09/33/395760933.db2.gz JTZREXXVTPOYEZ-CYBMUJFWSA-N 0 0 303.362 0.397 50 0 DCAARN O=C(/C=C\c1ccc2c(c1)OCO2)N[C@H]1CCS(=O)(=O)C1 ZINC000097999067 395761391 /nfs/dbraw/zinc/76/13/91/395761391.db2.gz JAIJHJYOIISBJG-MORRKMRCSA-N 0 0 309.343 0.732 50 0 DCAARN CCN1CCN(C(=O)[C@@H](C)N2CCC(C(=O)OC)CC2)CC1 ZINC000098068218 395761945 /nfs/dbraw/zinc/76/19/45/395761945.db2.gz KWBIMZHWPJEEQC-CYBMUJFWSA-N 0 0 311.426 0.424 50 0 DCAARN COC(=O)c1nnn(C[C@H](O)c2cccc(OC)c2)c1CO ZINC000098211153 395762065 /nfs/dbraw/zinc/76/20/65/395762065.db2.gz GDNLBXBTLUIAIZ-LBPRGKRZSA-N 0 0 307.306 0.299 50 0 DCAARN CN(C)c1ncccc1CNC(=O)N[C@H]1CCCCNC1=O ZINC000045668010 395765215 /nfs/dbraw/zinc/76/52/15/395765215.db2.gz XOJBFQBUHRODKR-LBPRGKRZSA-N 0 0 305.382 0.616 50 0 DCAARN Cn1cc(CCCNC(=O)c2cnc3ccccn3c2=O)cn1 ZINC000102621687 395770788 /nfs/dbraw/zinc/77/07/88/395770788.db2.gz YHHNSMXWRFQYDN-UHFFFAOYSA-N 0 0 311.345 0.791 50 0 DCAARN COCCn1cc(NC(=O)NC[C@@H](C)N2CCOCC2)cn1 ZINC000046261643 395774115 /nfs/dbraw/zinc/77/41/15/395774115.db2.gz AFSPMEYCKLZXMB-GFCCVEGCSA-N 0 0 311.386 0.372 50 0 DCAARN OCCc1cn(C2CCN(c3ncnc4nc[nH]c43)CC2)nn1 ZINC000048155867 395809403 /nfs/dbraw/zinc/80/94/03/395809403.db2.gz PMOLJWWGWFITDF-UHFFFAOYSA-N 0 0 314.353 0.321 50 0 DCAARN O=C(Cn1cnnn1)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000048252831 395811607 /nfs/dbraw/zinc/81/16/07/395811607.db2.gz JTCVHWIGJCQOOO-CYBMUJFWSA-N 0 0 314.349 0.153 50 0 DCAARN CCN(CC)S(=O)(=O)N1CCN(Cc2cc(C)no2)CC1 ZINC000048234223 395811695 /nfs/dbraw/zinc/81/16/95/395811695.db2.gz WPEVAKMBGBPCFH-UHFFFAOYSA-N 0 0 316.427 0.687 50 0 DCAARN COc1ccc(S(=O)(=O)NC[C@@H]2CCOC2)cc1C(N)=O ZINC000048354149 395814280 /nfs/dbraw/zinc/81/42/80/395814280.db2.gz MJWOCERGTZRCIY-VIFPVBQESA-N 0 0 314.363 0.109 50 0 DCAARN Cn1cc(CCC(=O)N2CCN(c3cccnn3)CC2)cn1 ZINC000195055580 395815251 /nfs/dbraw/zinc/81/52/51/395815251.db2.gz XOXIRPFBKJXKML-UHFFFAOYSA-N 0 0 300.366 0.492 50 0 DCAARN Cn1cc(C(=O)N2CCN(C[C@H](O)c3cccs3)CC2)nn1 ZINC000049031437 395826948 /nfs/dbraw/zinc/82/69/48/395826948.db2.gz GNRIODSQJJDAMC-LBPRGKRZSA-N 0 0 321.406 0.368 50 0 DCAARN Cc1nc(CN2CCN(C(=O)COC[C@@H]3CCCO3)CC2)no1 ZINC000113179896 395827864 /nfs/dbraw/zinc/82/78/64/395827864.db2.gz WSWWVWHCTPFTII-ZDUSSCGKSA-N 0 0 324.381 0.218 50 0 DCAARN O=C1[C@@H](Nc2ncncc2Br)CCCN1CCO ZINC000195566598 395831843 /nfs/dbraw/zinc/83/18/43/395831843.db2.gz BXIKQUYVRNBIQE-VIFPVBQESA-N 0 0 315.171 0.634 50 0 DCAARN O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1c[nH]ccc1=O ZINC000049543864 395832467 /nfs/dbraw/zinc/83/24/67/395832467.db2.gz KATVYTBLTKHDBR-UHFFFAOYSA-N 0 0 315.285 0.359 50 0 DCAARN COc1ccc(CNC(=O)C(=O)Nc2c[nH]ccc2=O)cc1 ZINC000049549802 395832499 /nfs/dbraw/zinc/83/24/99/395832499.db2.gz WDSKJESXXIJCOD-UHFFFAOYSA-N 0 0 301.302 0.638 50 0 DCAARN Cc1noc(C2CN(CC(=O)Nc3ccc(C(N)=O)cc3)C2)n1 ZINC000049482622 395832643 /nfs/dbraw/zinc/83/26/43/395832643.db2.gz BGZQZUMEUZBQND-UHFFFAOYSA-N 0 0 315.333 0.515 50 0 DCAARN Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)nn1 ZINC000225421402 395859989 /nfs/dbraw/zinc/85/99/89/395859989.db2.gz PBSRDXZCHFKWNN-SNVBAGLBSA-N 0 0 301.306 0.162 50 0 DCAARN O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(CCCO)CC1 ZINC000049967902 395835199 /nfs/dbraw/zinc/83/51/99/395835199.db2.gz KMHGQHFALAOTKE-UHFFFAOYSA-N 0 0 324.446 0.864 50 0 DCAARN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1c[nH]c2ncccc12 ZINC000114740992 395836199 /nfs/dbraw/zinc/83/61/99/395836199.db2.gz QFCHFCNTWJQNBV-VIFPVBQESA-N 0 0 318.362 0.448 50 0 DCAARN COc1ccc(F)cc1C(=O)NC[C@@H]1CN(C(C)=O)CCO1 ZINC000220552470 395848387 /nfs/dbraw/zinc/84/83/87/395848387.db2.gz WSELFGZFLVAKQT-GFCCVEGCSA-N 0 0 310.325 0.811 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1ccn[nH]1 ZINC000220542237 395848782 /nfs/dbraw/zinc/84/87/82/395848782.db2.gz NSSCAVWBWXXOGN-TZMCWYRMSA-N 0 0 302.334 0.909 50 0 DCAARN Cc1ccc(O[C@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)nn1 ZINC000225459809 395860859 /nfs/dbraw/zinc/86/08/59/395860859.db2.gz ASGMMGCCXYTVAM-NSHDSACASA-N 0 0 315.333 0.552 50 0 DCAARN CO[C@@H]1CCOC[C@H]1NC(=O)c1ccc2c(c1)ncn2CCO ZINC000221358686 395850476 /nfs/dbraw/zinc/85/04/76/395850476.db2.gz DZYIESZLFBAXHB-UKRRQHHQSA-N 0 0 319.361 0.562 50 0 DCAARN Cc1ncsc1CCNC(=O)Cn1nc(C)c(C)cc1=O ZINC000221454226 395851173 /nfs/dbraw/zinc/85/11/73/395851173.db2.gz WBANYUKYCCCSEQ-UHFFFAOYSA-N 0 0 306.391 0.984 50 0 DCAARN COCCN1C[C@H](Cc2cc(N3CCCC3)nc(N)n2)CC1=O ZINC000222370394 395852778 /nfs/dbraw/zinc/85/27/78/395852778.db2.gz HRXBKVAWLAUMAJ-GFCCVEGCSA-N 0 0 319.409 0.696 50 0 DCAARN O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1cnccn1 ZINC000223623932 395855843 /nfs/dbraw/zinc/85/58/43/395855843.db2.gz BCNJVJYVTHFXLG-CHWSQXEVSA-N 0 0 300.318 0.838 50 0 DCAARN O=C(COC[C@H]1CCCO1)N1CCN(c2cnccn2)CC1 ZINC000225521426 395861387 /nfs/dbraw/zinc/86/13/87/395861387.db2.gz XXZOGYVYMNITHI-CYBMUJFWSA-N 0 0 306.366 0.321 50 0 DCAARN Cc1cc2nc(NCCS(N)(=O)=O)c3ccccc3n2n1 ZINC000047537530 395795063 /nfs/dbraw/zinc/79/50/63/395795063.db2.gz HVIRYLMJAKHOSU-UHFFFAOYSA-N 0 0 305.363 0.891 50 0 DCAARN CS(=O)(=O)NCCC(=O)NCc1ccc2c(c1)OCCO2 ZINC000047615253 395797030 /nfs/dbraw/zinc/79/70/30/395797030.db2.gz KQMVOEYTONUONF-UHFFFAOYSA-N 0 0 314.363 0.013 50 0 DCAARN CN(C)[C@@H](CNC(=O)NCCN1CCOCC1)c1ccco1 ZINC000047617939 395797637 /nfs/dbraw/zinc/79/76/37/395797637.db2.gz XOPCBTVGJUTPMD-ZDUSSCGKSA-N 0 0 310.398 0.514 50 0 DCAARN CCN1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000054483312 395901104 /nfs/dbraw/zinc/90/11/04/395901104.db2.gz KJDVEUMQGRQKHL-HNNXBMFYSA-N 0 0 314.393 0.621 50 0 DCAARN CC(C)[C@H](C)n1nccc1NC(=O)CCNS(C)(=O)=O ZINC000055119427 395912221 /nfs/dbraw/zinc/91/22/21/395912221.db2.gz UIZVBKVCKKOCEO-JTQLQIEISA-N 0 0 302.400 0.978 50 0 DCAARN COc1cncc([C@H](NC(=O)Cc2c[nH]cn2)[C@H]2C[C@@H](O)C2)c1 ZINC000244858556 395925676 /nfs/dbraw/zinc/92/56/76/395925676.db2.gz VNHLVZRTFFSRSO-AKWBHNSASA-N 0 0 316.361 0.984 50 0 DCAARN CCc1nnc(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)s1 ZINC000244873427 395925957 /nfs/dbraw/zinc/92/59/57/395925957.db2.gz WQDXMPSTLKBKJG-QMMMGPOBSA-N 0 0 318.424 0.141 50 0 DCAARN Nc1nc(NCCN2CCCOC2=O)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244882685 395926354 /nfs/dbraw/zinc/92/63/54/395926354.db2.gz XWOFUDAWKREHEC-AOOOYVTPSA-N 0 0 307.354 0.551 50 0 DCAARN O=C(NCCc1nnn[n-]1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000244899837 395926496 /nfs/dbraw/zinc/92/64/96/395926496.db2.gz ZRGXZTLEXYTUDW-CQSZACIVSA-N 0 0 314.393 0.913 50 0 DCAARN O=C(N[C@@H]1CCSC1=O)c1cc(N2CCOCC2)ncn1 ZINC000244986053 395926570 /nfs/dbraw/zinc/92/65/70/395926570.db2.gz JDMTYQDIEHJGEN-SECBINFHSA-N 0 0 308.363 0.075 50 0 DCAARN Cn1nc(C2CC2)cc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC000225570739 395862277 /nfs/dbraw/zinc/86/22/77/395862277.db2.gz CXTXMGIQOFWBQS-UHFFFAOYSA-N 0 0 319.409 0.872 50 0 DCAARN Cn1cccc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000225764739 395862928 /nfs/dbraw/zinc/86/29/28/395862928.db2.gz IGBDXEYLVFFROH-YPMHNXCESA-N 0 0 323.393 0.983 50 0 DCAARN CC(C)c1cc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)[nH]n1 ZINC000052823213 395870111 /nfs/dbraw/zinc/87/01/11/395870111.db2.gz QCYFLTSTNIGZRN-SNVBAGLBSA-N 0 0 314.411 0.687 50 0 DCAARN COCCOc1ncccc1C(=O)N1CCC(C(N)=O)CC1 ZINC000052933744 395873360 /nfs/dbraw/zinc/87/33/60/395873360.db2.gz UVDNXZRDACQSNC-UHFFFAOYSA-N 0 0 307.350 0.444 50 0 DCAARN NC(=O)[C@@H]1CCCN1C(=O)CCNC(=O)c1ccc(F)cc1 ZINC000052986301 395874912 /nfs/dbraw/zinc/87/49/12/395874912.db2.gz YAMBPZOWASLRED-LBPRGKRZSA-N 0 0 307.325 0.422 50 0 DCAARN C[C@H]1CCCN(C(=O)CN2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000229520407 395875002 /nfs/dbraw/zinc/87/50/02/395875002.db2.gz PFGIVHBZOWIHRB-QWHCGFSZSA-N 0 0 317.455 0.259 50 0 DCAARN CC(=O)N1CCN([C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@H]2C)CC1 ZINC000229828701 395876589 /nfs/dbraw/zinc/87/65/89/395876589.db2.gz WSCYAPICZQFELD-XJKSGUPXSA-N 0 0 322.453 0.092 50 0 DCAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)Nc1nc[nH]n1 ZINC000230156542 395878907 /nfs/dbraw/zinc/87/89/07/395878907.db2.gz IYJBDSBMSYMUQY-OYNCUSHFSA-N 0 0 310.383 0.469 50 0 DCAARN Cn1c(=O)cc(N2CCCN(C(=O)OC(C)(C)C)CC2)[nH]c1=O ZINC000057477952 395944687 /nfs/dbraw/zinc/94/46/87/395944687.db2.gz ZFGIVBHJTOLINN-UHFFFAOYSA-N 0 0 324.381 0.521 50 0 DCAARN COCCCNC(=O)N1CCN(Cc2ccc(OC)nc2)CC1 ZINC000065267225 395991506 /nfs/dbraw/zinc/99/15/06/395991506.db2.gz QKOLODLUUQMWTP-UHFFFAOYSA-N 0 0 322.409 0.954 50 0 DCAARN CC(C)OCCCNC(=O)[C@@H]1CCCN(c2cn[nH]c(=O)c2)C1 ZINC000065313435 395992074 /nfs/dbraw/zinc/99/20/74/395992074.db2.gz SGELKFLKRJKAIV-CYBMUJFWSA-N 0 0 322.409 0.918 50 0 DCAARN COCc1cc(=O)n(CC(=O)NCc2ccccc2)c(N)n1 ZINC000065310938 395992560 /nfs/dbraw/zinc/99/25/60/395992560.db2.gz CCRJCKCQVDCASY-UHFFFAOYSA-N 0 0 302.334 0.288 50 0 DCAARN CCOC(=O)CN(Cc1nc2c(cnn2C)c(=O)[nH]1)CC(C)C ZINC000065415737 395993065 /nfs/dbraw/zinc/99/30/65/395993065.db2.gz YELGBJSHNSGAFW-UHFFFAOYSA-N 0 0 321.381 0.678 50 0 DCAARN O=C1OCCCN1CCNc1nccc(N2CCC(O)CC2)n1 ZINC000065525798 395993992 /nfs/dbraw/zinc/99/39/92/395993992.db2.gz GYDQTYBUVINIPO-UHFFFAOYSA-N 0 0 321.381 0.692 50 0 DCAARN CCNC(=O)CNC(=O)C(=O)Nc1ccc(CSC)cc1 ZINC000067492482 396026942 /nfs/dbraw/zinc/02/69/42/396026942.db2.gz PXPGXUDEJFMYBF-UHFFFAOYSA-N 0 0 309.391 0.740 50 0 DCAARN CCN1C[C@H](NC(=O)c2ccc(-c3nnn(C)n3)cc2)CC1=O ZINC000067489580 396027177 /nfs/dbraw/zinc/02/71/77/396027177.db2.gz JXXWGSCVSBWHHO-GFCCVEGCSA-N 0 0 314.349 0.228 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@H]1CO ZINC000253414688 396027776 /nfs/dbraw/zinc/02/77/76/396027776.db2.gz YGDCEWGFYGIRMP-GXTWGEPZSA-N 0 0 306.362 0.187 50 0 DCAARN CCOc1ccc2nnc(CNC(=O)c3ccc(=O)[nH]c3)n2n1 ZINC000253537325 396030391 /nfs/dbraw/zinc/03/03/91/396030391.db2.gz NGBPRICMNNEODX-UHFFFAOYSA-N 0 0 314.305 0.554 50 0 DCAARN C[NH+](C)CCn1nc(C(=O)[O-])c2c1CCN(C(=O)C1CCC1)C2 ZINC000067727195 396031724 /nfs/dbraw/zinc/03/17/24/396031724.db2.gz VZSBUDNTAWCMBI-UHFFFAOYSA-N 0 0 320.393 0.828 50 0 DCAARN Cc1cnc(C(=O)NC[C@@]2(N3CCOCC3)CCOC2)cn1 ZINC000257183937 396034045 /nfs/dbraw/zinc/03/40/45/396034045.db2.gz IAQAPCRSVGOZHB-HNNXBMFYSA-N 0 0 306.366 0.006 50 0 DCAARN CN(C)S(=O)(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21 ZINC000257180195 396034374 /nfs/dbraw/zinc/03/43/74/396034374.db2.gz KGZZCRLLEWKLSJ-OLZOCXBDSA-N 0 0 317.455 0.954 50 0 DCAARN COc1cccc(C(=O)N2C[C@@H](CO)[C@H](NC(C)=O)C2)c1C ZINC000257178161 396034504 /nfs/dbraw/zinc/03/45/04/396034504.db2.gz ZCRRXUYTEFEOCF-GXTWGEPZSA-N 0 0 306.362 0.573 50 0 DCAARN COCCN(C)C(=O)[C@@H]1CN(c2ncccn2)C[C@H]1COC ZINC000257195799 396035972 /nfs/dbraw/zinc/03/59/72/396035972.db2.gz WXVZBAMBAGHMBU-QWHCGFSZSA-N 0 0 308.382 0.280 50 0 DCAARN Cc1ccc2nc(CNC(=O)Cc3[nH]c(O)nc3O)[nH]c2c1C ZINC000067847592 396036381 /nfs/dbraw/zinc/03/63/81/396036381.db2.gz YASFQOIFBQZQTD-SNVBAGLBSA-N 0 0 315.333 0.394 50 0 DCAARN CCCO[C@H]1CCCN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)C1 ZINC000067908230 396038543 /nfs/dbraw/zinc/03/85/43/396038543.db2.gz OAAGGBKUFRNYKX-LBPRGKRZSA-N 0 0 309.366 0.263 50 0 DCAARN COC(=O)Cn1ccc(NC(=O)CN2CCCCCC2=O)n1 ZINC000067924957 396039712 /nfs/dbraw/zinc/03/97/12/396039712.db2.gz OTDWUKBHJLYFEX-UHFFFAOYSA-N 0 0 308.338 0.397 50 0 DCAARN Cc1cc(C(=O)NCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c(C)o1 ZINC000068096378 396045376 /nfs/dbraw/zinc/04/53/76/396045376.db2.gz ATRCZLZFHITEHB-CABZTGNLSA-N 0 0 321.377 0.739 50 0 DCAARN O=C(NCCN1CCOCC1)NC[C@@H](O)c1cccc(F)c1 ZINC000069203380 396072652 /nfs/dbraw/zinc/07/26/52/396072652.db2.gz NKEKGJLRMSPZOZ-CQSZACIVSA-N 0 0 311.357 0.491 50 0 DCAARN NC(=O)CN(CC(N)=O)C(=O)CSc1ccccc1Cl ZINC000068340176 396052719 /nfs/dbraw/zinc/05/27/19/396052719.db2.gz XAVVUJOBSUMSJZ-UHFFFAOYSA-N 0 0 315.782 0.231 50 0 DCAARN Cc1c(C(=O)[O-])nnn1-c1cccc2c1CC[N@H+](CCO)C2 ZINC000068592583 396059765 /nfs/dbraw/zinc/05/97/65/396059765.db2.gz FJZURHKYZIGHGP-UHFFFAOYSA-N 0 0 302.334 0.624 50 0 DCAARN CCc1nc(C)ccc1OS(=O)(=O)N1CCN(C=O)CC1 ZINC000252480115 396020201 /nfs/dbraw/zinc/02/02/01/396020201.db2.gz BVZTUBQKJXZWMX-UHFFFAOYSA-N 0 0 313.379 0.350 50 0 DCAARN Cc1noc(CNC(=O)c2ccnc(O[C@@H]3CCOC3)c2)n1 ZINC000252491475 396020771 /nfs/dbraw/zinc/02/07/71/396020771.db2.gz LNDSEULUHIXMMI-LLVKDONJSA-N 0 0 304.306 0.871 50 0 DCAARN Cc1ncccc1C(=O)O[C@H](C)C(=O)NCCN1CCOCC1 ZINC000252499138 396021565 /nfs/dbraw/zinc/02/15/65/396021565.db2.gz RWBMSMQJDJZYDX-CYBMUJFWSA-N 0 0 321.377 0.384 50 0 DCAARN CCOc1cnc(C(=O)N[C@@H](C)c2nnnn2C2CC2)cn1 ZINC000252505118 396021585 /nfs/dbraw/zinc/02/15/85/396021585.db2.gz VOPZECGGEMGSBJ-QMMMGPOBSA-N 0 0 303.326 0.688 50 0 DCAARN NC(=O)CN1CCC[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC000069697797 396087191 /nfs/dbraw/zinc/08/71/91/396087191.db2.gz RRMHPAGFFOUVFA-AWEZNQCLSA-N 0 0 301.390 0.784 50 0 DCAARN CN(C)S(=O)(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000069740826 396088927 /nfs/dbraw/zinc/08/89/27/396088927.db2.gz CFPLHXNNEIDJDA-UHFFFAOYSA-N 0 0 303.359 0.342 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC000069742771 396089388 /nfs/dbraw/zinc/08/93/88/396089388.db2.gz SKFRMLXYYQTXGR-ZBFHGGJFSA-N 0 0 305.422 0.814 50 0 DCAARN Cc1nn(C)c(Cl)c1C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000069771834 396089474 /nfs/dbraw/zinc/08/94/74/396089474.db2.gz CRIYGGRINJKGQS-UHFFFAOYSA-N 0 0 314.817 0.911 50 0 DCAARN COCCN1CCN(CC(=O)NCCc2ccccc2)CC1 ZINC000069779821 396090415 /nfs/dbraw/zinc/09/04/15/396090415.db2.gz TXPAPQKCPHROCY-UHFFFAOYSA-N 0 0 305.422 0.609 50 0 DCAARN Cc1cc(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)n(C)n1 ZINC000069777733 396090466 /nfs/dbraw/zinc/09/04/66/396090466.db2.gz GDPFGWXFVZDKRA-ZDUSSCGKSA-N 0 0 317.397 0.671 50 0 DCAARN O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)c1ccco1 ZINC000069776563 396090506 /nfs/dbraw/zinc/09/05/06/396090506.db2.gz DXGKAFQVLBSPIB-NEPJUHHUSA-N 0 0 312.391 0.661 50 0 DCAARN CCN1C[C@H](C(=O)N2CCC(Nc3cccnn3)CC2)CC1=O ZINC000069779840 396090528 /nfs/dbraw/zinc/09/05/28/396090528.db2.gz BBFGHVUQVLQQQT-GFCCVEGCSA-N 0 0 317.393 0.748 50 0 DCAARN COc1ccc(C(=O)NC[C@H]2Cn3cccc3C(=O)N2C)cn1 ZINC000169779025 396091695 /nfs/dbraw/zinc/09/16/95/396091695.db2.gz NWSDHBZJNWDXCA-LBPRGKRZSA-N 0 0 314.345 0.776 50 0 DCAARN COCCNC(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000170609764 396095195 /nfs/dbraw/zinc/09/51/95/396095195.db2.gz WAEARGHPYKDJAM-SNVBAGLBSA-N 0 0 315.395 0.683 50 0 DCAARN CCCCN1CCOC[C@@H]1C(=O)NCCNC(=O)c1ccco1 ZINC000170598470 396095324 /nfs/dbraw/zinc/09/53/24/396095324.db2.gz BFIHUCFKPCUABF-CYBMUJFWSA-N 0 0 323.393 0.627 50 0 DCAARN CCN(C(=O)[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 ZINC000170646476 396095871 /nfs/dbraw/zinc/09/58/71/396095871.db2.gz ZMWGXDAFYOGNDE-VHSXEESVSA-N 0 0 309.478 0.871 50 0 DCAARN Cc1ccccc1CN(C)C(=O)CN1CCN(C[C@@H](C)O)CC1 ZINC000070021159 396098063 /nfs/dbraw/zinc/09/80/63/396098063.db2.gz FNYKBACEGXIXMV-MRXNPFEDSA-N 0 0 319.449 0.952 50 0 DCAARN CCOC(=O)Cc1csc(NC(=O)C2CN(C(C)=O)C2)n1 ZINC000070813520 396105273 /nfs/dbraw/zinc/10/52/73/396105273.db2.gz KNGVLYYESIBMNA-UHFFFAOYSA-N 0 0 311.363 0.666 50 0 DCAARN CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000071186138 396110992 /nfs/dbraw/zinc/11/09/92/396110992.db2.gz YRHBVMGIYYMYMT-JTQLQIEISA-N 0 0 310.375 0.441 50 0 DCAARN CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000071186137 396111178 /nfs/dbraw/zinc/11/11/78/396111178.db2.gz YRHBVMGIYYMYMT-SNVBAGLBSA-N 0 0 310.375 0.441 50 0 DCAARN COC(=O)C1(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000071415599 396113893 /nfs/dbraw/zinc/11/38/93/396113893.db2.gz WEMILGYLOHEZGT-LBPRGKRZSA-N 0 0 320.320 0.778 50 0 DCAARN O=C([C@H]1CNCC(=O)N1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000071774664 396114502 /nfs/dbraw/zinc/11/45/02/396114502.db2.gz CCZYZLUEDDBXJJ-CQSZACIVSA-N 0 0 303.337 0.529 50 0 DCAARN CCO[C@H]1C[C@H]1C(=O)N1CCN(c2nccc(OC)n2)CC1 ZINC000071819950 396115891 /nfs/dbraw/zinc/11/58/91/396115891.db2.gz LIVXEFXIURBVLD-NEPJUHHUSA-N 0 0 306.366 0.559 50 0 DCAARN O=C(c1ccccc1-n1cnnn1)N1CCC[C@H](n2cncn2)C1 ZINC000071847050 396118560 /nfs/dbraw/zinc/11/85/60/396118560.db2.gz PRWRTHDSPXOOQF-LBPRGKRZSA-N 0 0 324.348 0.731 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)[C@@H](C)S(=O)(=O)C(C)C)CC1 ZINC000071881144 396122653 /nfs/dbraw/zinc/12/26/53/396122653.db2.gz RBAGXJARKDJCSA-OLZOCXBDSA-N 0 0 320.455 0.113 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000071881887 396123049 /nfs/dbraw/zinc/12/30/49/396123049.db2.gz VDWWKNJSJBKCRX-OAHLLOKOSA-N 0 0 322.405 0.850 50 0 DCAARN Cn1c(N2CCOCC2)nnc1S(=O)(=O)Cc1ccccc1 ZINC000071913634 396124122 /nfs/dbraw/zinc/12/41/22/396124122.db2.gz ZTUKUSMUGBOYGZ-UHFFFAOYSA-N 0 0 322.390 0.626 50 0 DCAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)OC2([C@H]3CCOC3)CC2)C1=O ZINC000071913727 396124663 /nfs/dbraw/zinc/12/46/63/396124663.db2.gz WHHRSGUOKZLRNB-XHDPSFHLSA-N 0 0 322.361 0.819 50 0 DCAARN CCN(C)[C@H](C(=O)O[C@@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC000071921376 396125412 /nfs/dbraw/zinc/12/54/12/396125412.db2.gz SMGGKXCBFQDLNG-JQWIXIFHSA-N 0 0 307.350 0.806 50 0 DCAARN CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1sc(=O)[nH]c1C ZINC000071922158 396125661 /nfs/dbraw/zinc/12/56/61/396125661.db2.gz KGEJAMXVSCQAQH-MRVPVSSYSA-N 0 0 319.408 0.034 50 0 DCAARN CC[C@@H]1CN(C(=O)CN2CCn3c(nnc3C3CC3)C2)CCO1 ZINC000072268369 396128168 /nfs/dbraw/zinc/12/81/68/396128168.db2.gz QECOLNUZWAXROV-CYBMUJFWSA-N 0 0 319.409 0.609 50 0 DCAARN CC(=O)N[C@@](C)(C(=O)N[C@@H]1CCc2nc(C)cn2C1)C1CC1 ZINC000072254879 396128410 /nfs/dbraw/zinc/12/84/10/396128410.db2.gz ZNEWOCDCWBLWAK-CZUORRHYSA-N 0 0 304.394 0.927 50 0 DCAARN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@H]1CCC(=O)N1 ZINC000072283684 396129826 /nfs/dbraw/zinc/12/98/26/396129826.db2.gz YHPAXXMRLPZUTQ-ZWNOBZJWSA-N 0 0 323.418 0.897 50 0 DCAARN COC(=O)N1CC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000072297581 396131006 /nfs/dbraw/zinc/13/10/06/396131006.db2.gz LBDUIONERZTPAE-SNVBAGLBSA-N 0 0 319.317 0.588 50 0 DCAARN C[C@@H]1CN(C[C@H](O)CN2CCc3c(ncn3C)C2)C[C@H](C)O1 ZINC000069443451 396078849 /nfs/dbraw/zinc/07/88/49/396078849.db2.gz HKACZSQHNXZJHZ-HZSPNIEDSA-N 0 0 308.426 0.248 50 0 DCAARN Cn1cnc2c1CCN(Cc1cccc(OCC(N)=O)c1)C2 ZINC000069464362 396079767 /nfs/dbraw/zinc/07/97/67/396079767.db2.gz OQVXGWYBTHYJER-UHFFFAOYSA-N 0 0 300.362 0.843 50 0 DCAARN CCC(=O)NCC(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1 ZINC000069531100 396082114 /nfs/dbraw/zinc/08/21/14/396082114.db2.gz LYBQNWLSUWRADL-UHFFFAOYSA-N 0 0 300.318 0.902 50 0 DCAARN CCc1noc([C@H](C)N2CCC(NS(C)(=O)=O)CC2)n1 ZINC000069538950 396082638 /nfs/dbraw/zinc/08/26/38/396082638.db2.gz CQYJHWLQNHGNHX-VIFPVBQESA-N 0 0 302.400 0.707 50 0 DCAARN COC(=O)c1ccc(C(=O)NCCC(=O)N2CCCC2)nc1 ZINC000069569621 396082863 /nfs/dbraw/zinc/08/28/63/396082863.db2.gz IEBWNZKRVNIFPK-UHFFFAOYSA-N 0 0 305.334 0.611 50 0 DCAARN O=C1OCC[C@H]1N1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 ZINC000069599525 396084288 /nfs/dbraw/zinc/08/42/88/396084288.db2.gz OVBGOUGUAPKXHG-TZMCWYRMSA-N 0 0 324.402 0.745 50 0 DCAARN CC(C)CCC(=O)NCC(=O)N1CCN(c2cnccn2)CC1 ZINC000069619535 396084755 /nfs/dbraw/zinc/08/47/55/396084755.db2.gz IYVAVSLOKIJPKK-UHFFFAOYSA-N 0 0 319.409 0.678 50 0 DCAARN COc1cc(C)nc(N2CCN(C(=O)c3cnn(C)c3)CC2)n1 ZINC000069630493 396085522 /nfs/dbraw/zinc/08/55/22/396085522.db2.gz JRVTYOPRRSDFMY-UHFFFAOYSA-N 0 0 316.365 0.490 50 0 DCAARN Cc1nc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c(C)s1 ZINC000178802865 396209689 /nfs/dbraw/zinc/20/96/89/396209689.db2.gz QIUCUYURKFRVBK-XPTSAGLGSA-N 0 0 322.390 0.868 50 0 DCAARN CCOC(=O)C1=C(N)N2CCN=C2N2N=Cc3ccccc3[C@@H]12 ZINC000075286723 396179446 /nfs/dbraw/zinc/17/94/46/396179446.db2.gz BICJTFROZRDEPO-ZDUSSCGKSA-N 0 0 311.345 0.796 50 0 DCAARN CCc1nnsc1C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000076045316 396192633 /nfs/dbraw/zinc/19/26/33/396192633.db2.gz TYXYOICYGGYUGL-VIFPVBQESA-N 0 0 308.367 0.741 50 0 DCAARN Cc1nc([C@@H]2CCCN2C(=O)Cc2nc3ncccn3n2)no1 ZINC000076043602 396193258 /nfs/dbraw/zinc/19/32/58/396193258.db2.gz BQAQVBHXGBUZRC-JTQLQIEISA-N 0 0 313.321 0.722 50 0 DCAARN CCn1nc2c(cc1=O)CN(CC(=O)Nc1cccnc1)CC2 ZINC000076063918 396195750 /nfs/dbraw/zinc/19/57/50/396195750.db2.gz HEAYVUDZQPNUHT-UHFFFAOYSA-N 0 0 313.361 0.655 50 0 DCAARN CCNc1nc(C(=O)NCCNS(=O)(=O)CC)cs1 ZINC000178486656 396197436 /nfs/dbraw/zinc/19/74/36/396197436.db2.gz ICCHRUCXAWPMEI-UHFFFAOYSA-N 0 0 306.413 0.244 50 0 DCAARN O=C1CC[C@@H](CNS(=O)(=O)N2CCC[C@@H]2c2ccco2)N1 ZINC000078880945 396256045 /nfs/dbraw/zinc/25/60/45/396256045.db2.gz HSJPSXLRBADZRG-WDEREUQCSA-N 0 0 313.379 0.530 50 0 DCAARN CCc1noc(CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)n1 ZINC000078900163 396256866 /nfs/dbraw/zinc/25/68/66/396256866.db2.gz WGBMZAOPESAEEG-VIFPVBQESA-N 0 0 304.354 0.834 50 0 DCAARN C[C@H](NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cnn(C)c1 ZINC000078996980 396259528 /nfs/dbraw/zinc/25/95/28/396259528.db2.gz GCQMWQWCHFYTKK-DJIHRAIXSA-N 0 0 305.382 0.790 50 0 DCAARN COC[C@H](C)N1CCN(C(=O)COc2c(C)nn(C)c2C)CC1 ZINC000079101769 396260791 /nfs/dbraw/zinc/26/07/91/396260791.db2.gz XBUSRHWVNPRNDF-LBPRGKRZSA-N 0 0 324.425 0.595 50 0 DCAARN COCCn1cc(CC(=O)Nc2nn[nH]n2)c2ccccc21 ZINC000079464475 396265192 /nfs/dbraw/zinc/26/51/92/396265192.db2.gz IWDUDRXMPVKARW-UHFFFAOYSA-N 0 0 300.322 0.982 50 0 DCAARN O=C(Cn1ccc2c(cnc3ccnn32)c1=O)NCc1ccco1 ZINC000079501167 396265605 /nfs/dbraw/zinc/26/56/05/396265605.db2.gz QFSXGELNKWFNKP-UHFFFAOYSA-N 0 0 323.312 0.954 50 0 DCAARN O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)c1ccc(F)cn1 ZINC000183408445 396269239 /nfs/dbraw/zinc/26/92/39/396269239.db2.gz NVNOCAUOZZLZCS-XLKFXECMSA-N 0 0 306.297 0.329 50 0 DCAARN Cc1csc([C@H](C)CNC(=O)N2CCS(=O)(=O)CC2)n1 ZINC000183940742 396278289 /nfs/dbraw/zinc/27/82/89/396278289.db2.gz GRHSFJWFZYOMGZ-SECBINFHSA-N 0 0 317.436 0.995 50 0 DCAARN COCCC[C@@H]1CCCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000077407773 396221093 /nfs/dbraw/zinc/22/10/93/396221093.db2.gz UGHGUHHCFMAMKV-NSHDSACASA-N 0 0 309.366 0.271 50 0 DCAARN Cn1c(CCNC(=O)c2cccc(-n3cccn3)c2)n[nH]c1=O ZINC000077406873 396221109 /nfs/dbraw/zinc/22/11/09/396221109.db2.gz IVJOUIQAFVLBHP-UHFFFAOYSA-N 0 0 312.333 0.267 50 0 DCAARN CS(=O)(=O)NCCC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000077408066 396221457 /nfs/dbraw/zinc/22/14/57/396221457.db2.gz OYFBPQPDYNZDRE-JTQLQIEISA-N 0 0 300.384 0.055 50 0 DCAARN Cn1ccnc1CN1CC[C@@H](NC(=O)c2ccncc2)[C@H](O)C1 ZINC000077537944 396225785 /nfs/dbraw/zinc/22/57/85/396225785.db2.gz PEYZAVRQIROEFP-ZIAGYGMSSA-N 0 0 315.377 0.180 50 0 DCAARN Cc1ccc(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1C ZINC000080923346 396288842 /nfs/dbraw/zinc/28/88/42/396288842.db2.gz OLOYPBNFJLJDIK-MRXNPFEDSA-N 0 0 318.377 0.784 50 0 DCAARN O=c1ccc(-n2cncn2)nn1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000230254549 296532043 /nfs/dbraw/zinc/53/20/43/296532043.db2.gz UJYKBDURWXERMH-CHWSQXEVSA-N 0 0 316.365 0.425 50 0 DCAARN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)Cn2nc(C)cc2C)C1 ZINC000285870065 396359421 /nfs/dbraw/zinc/35/94/21/396359421.db2.gz RISWDEUGIHVQDA-NEPJUHHUSA-N 0 0 304.354 0.607 50 0 DCAARN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC(n2ccnc2)CC1 ZINC000192019219 396428340 /nfs/dbraw/zinc/42/83/40/396428340.db2.gz TWGDZZZSDPHJIE-LLVKDONJSA-N 0 0 314.411 0.327 50 0 DCAARN CN1C(=O)CSC12CCN(C(=O)c1ncccc1O)CC2 ZINC000371736103 396475871 /nfs/dbraw/zinc/47/58/71/396475871.db2.gz VSZCJWRROCLWOV-UHFFFAOYSA-N 0 0 307.375 0.925 50 0 DCAARN COCCn1nnc2c1CCN(c1nc(C)nc(OC)c1C)C2 ZINC000292922317 396576457 /nfs/dbraw/zinc/57/64/57/396576457.db2.gz DCPFDGKBFTXTAS-UHFFFAOYSA-N 0 0 318.381 0.903 50 0 DCAARN O=S(=O)(N[C@H]1COC[C@@H]1O)c1ccc(OC(F)F)cc1 ZINC000584886790 396632197 /nfs/dbraw/zinc/63/21/97/396632197.db2.gz BBQDBGVUSCYSOY-UWVGGRQHSA-N 0 0 309.290 0.326 50 0 DCAARN CNC(=O)c1cccc(CNC(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000584890494 396634072 /nfs/dbraw/zinc/63/40/72/396634072.db2.gz LCVWPRZHERFHRW-ZDUSSCGKSA-N 0 0 318.377 0.453 50 0 DCAARN COCCc1noc(CN(C)C(=O)C2(Cn3ccnc3)CC2)n1 ZINC000584892582 396634138 /nfs/dbraw/zinc/63/41/38/396634138.db2.gz VHIZLBJMFQNWBK-UHFFFAOYSA-N 0 0 319.365 0.894 50 0 DCAARN O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1cncc(=O)[nH]1 ZINC000584893382 396634676 /nfs/dbraw/zinc/63/46/76/396634676.db2.gz YMGNLQJOIFLWJM-SNVBAGLBSA-N 0 0 304.350 0.291 50 0 DCAARN CCCN1C(=O)N[C@@H](CC(=O)N2CCn3nc(C)cc3C2)C1=O ZINC000584898655 396635888 /nfs/dbraw/zinc/63/58/88/396635888.db2.gz QZQLXHCXGVQPSW-LBPRGKRZSA-N 0 0 319.365 0.254 50 0 DCAARN Nc1cc(=O)[nH]c(CCNC(=O)COC[C@H]2CCCCO2)n1 ZINC000584900741 396636560 /nfs/dbraw/zinc/63/65/60/396636560.db2.gz DUOHCIVGEHGFSD-SNVBAGLBSA-N 0 0 310.354 0.009 50 0 DCAARN CCCn1cnnc1CN(C)C(=O)[C@@H]1CCCCn2nnnc21 ZINC000584898951 396636618 /nfs/dbraw/zinc/63/66/18/396636618.db2.gz DSQOQRHWTMUGPV-LLVKDONJSA-N 0 0 318.385 0.601 50 0 DCAARN COCCn1cnnc1[C@@H](C)n1cnc2ccncc2c1=O ZINC000584903841 396637168 /nfs/dbraw/zinc/63/71/68/396637168.db2.gz NTDZXKZZLNQQFV-SNVBAGLBSA-N 0 0 300.322 0.639 50 0 DCAARN CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)CCc1nncn1C ZINC000584901764 396637371 /nfs/dbraw/zinc/63/73/71/396637371.db2.gz VXNGYGYCAUDFSJ-GFCCVEGCSA-N 0 0 321.425 0.853 50 0 DCAARN C[C@@H]1CN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)C[C@H]1C(N)=O ZINC000585134241 396640862 /nfs/dbraw/zinc/64/08/62/396640862.db2.gz JOSYNBOJRPAQNJ-FSDSQADBSA-N 0 0 317.600 0.687 50 0 DCAARN CCOC(=O)c1cnc(N[C@@H]2C[C@H](O)[C@H]2n2cccn2)nc1C ZINC000596301435 396758382 /nfs/dbraw/zinc/75/83/82/396758382.db2.gz DJYNUJXROSRVGW-AGIUHOORSA-N 0 0 317.349 0.945 50 0 DCAARN COC(=O)CCCC(=O)N1CCN(c2cccnc2)C(=O)C1 ZINC000618256757 396942502 /nfs/dbraw/zinc/94/25/02/396942502.db2.gz MIIMZPZJZIINSK-UHFFFAOYSA-N 0 0 305.334 0.600 50 0 DCAARN COC1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000053884790 292161384 /nfs/dbraw/zinc/16/13/84/292161384.db2.gz WGDCTRSLGUDANS-UHFFFAOYSA-N 0 0 323.393 0.879 50 0 DCAARN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCn1cccn1)CC2 ZINC000172592236 158396748 /nfs/dbraw/zinc/39/67/48/158396748.db2.gz ZVPWFTOAWOWIFL-LBPRGKRZSA-N 0 0 317.397 0.912 50 0 DCAARN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@@H]2CCCOC2)C1 ZINC000329047070 159054842 /nfs/dbraw/zinc/05/48/42/159054842.db2.gz VHFVBQQSLLNYTI-RDBSUJKOSA-N 0 0 310.394 0.651 50 0 DCAARN Cc1nnc(CN2CCN(c3ccnc4c3cnn4C)CC2)[nH]1 ZINC000329216842 159074250 /nfs/dbraw/zinc/07/42/50/159074250.db2.gz PDQRLNILGJJOFB-UHFFFAOYSA-N 0 0 312.381 0.717 50 0 DCAARN Cc1nccnc1N1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC000329361432 159085756 /nfs/dbraw/zinc/08/57/56/159085756.db2.gz YOSMQOTUVVMCLI-UHFFFAOYSA-N 0 0 300.366 0.790 50 0 DCAARN CCN(Cc1cn(C)nn1)C(=O)[C@H]1COCCN1CC(F)F ZINC000329536185 159100655 /nfs/dbraw/zinc/10/06/55/159100655.db2.gz ZZCKTYJBYPMLSE-LLVKDONJSA-N 0 0 317.340 0.130 50 0 DCAARN CC(C)Cc1noc(CN2CCC(S(N)(=O)=O)CC2)n1 ZINC000330365442 159163319 /nfs/dbraw/zinc/16/33/19/159163319.db2.gz BXMKVFYEDVXBIJ-UHFFFAOYSA-N 0 0 302.400 0.521 50 0 DCAARN C[C@@H](C(=O)N1CCN(C)CC1)n1cnc2ccccc2c1=O ZINC000013557456 415149998 /nfs/dbraw/zinc/14/99/98/415149998.db2.gz PLRGIGXMPCRDMH-LBPRGKRZSA-N 0 0 300.362 0.732 50 0 DCAARN CC(=O)Nc1nonc1-n1nnc(-c2csc(N)n2)c1C ZINC000012372688 415150631 /nfs/dbraw/zinc/15/06/31/415150631.db2.gz KBTZKCONEWIKDZ-UHFFFAOYSA-N 0 0 306.311 0.623 50 0 DCAARN CCn1c2ccc(C(=O)Nc3cnn(C)c3)cc2[nH]c(=O)c1=O ZINC000025305725 415162169 /nfs/dbraw/zinc/16/21/69/415162169.db2.gz OZUUKVNAEZHOQE-UHFFFAOYSA-N 0 0 313.317 0.696 50 0 DCAARN O=C(COC(=O)c1ccccc1F)N[C@@H]1CCS(=O)(=O)C1 ZINC000003530791 415129782 /nfs/dbraw/zinc/12/97/82/415129782.db2.gz LZEQIKMJULOFNC-SECBINFHSA-N 0 0 315.322 0.286 50 0 DCAARN CC(C)[NH+]1CCC(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)CC1 ZINC000005389097 415134610 /nfs/dbraw/zinc/13/46/10/415134610.db2.gz WPMPUQODTSAUIV-ZJOBFFGXSA-N 0 0 320.389 0.726 50 0 DCAARN Cc1cc(C)c(CNC(=O)C[C@H]2CCS(=O)(=O)C2)c(=O)[nH]1 ZINC000007118692 415137985 /nfs/dbraw/zinc/13/79/85/415137985.db2.gz ONZUMAGPTZFPCS-LLVKDONJSA-N 0 0 312.391 0.433 50 0 DCAARN CCCCNC(=O)COC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000007675938 415142467 /nfs/dbraw/zinc/14/24/67/415142467.db2.gz FCPIBDGBVQFXAW-UHFFFAOYSA-N 0 0 303.318 0.996 50 0 DCAARN O=c1ccncn1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000267302986 415145566 /nfs/dbraw/zinc/14/55/66/415145566.db2.gz BPUZZOZDDGCNOW-UHFFFAOYSA-N 0 0 309.347 0.669 50 0 DCAARN CCNC(=O)[C@H](C)NC(=O)c1ccc(OC)c(OC)c1OC ZINC000026009026 415166456 /nfs/dbraw/zinc/16/64/56/415166456.db2.gz OCUQNHNCEFZVFQ-VIFPVBQESA-N 0 0 310.350 0.967 50 0 DCAARN CCNC(=O)C1CCN([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000027414705 415174352 /nfs/dbraw/zinc/17/43/52/415174352.db2.gz PZRFFBNLUVPXCU-JTQLQIEISA-N 0 0 321.429 0.429 50 0 DCAARN C[C@@H]1COCCN1C(=O)CCn1c2ccccc2n(C)c1=O ZINC000044912409 415232814 /nfs/dbraw/zinc/23/28/14/415232814.db2.gz GOUDWLNYSNNQHU-GFCCVEGCSA-N 0 0 303.362 0.977 50 0 DCAARN CN(Cc1nnc2n1CCC2)C(=O)CN1CCCCCC1=O ZINC000044934913 415233876 /nfs/dbraw/zinc/23/38/76/415233876.db2.gz CXGAKNGLMNBEQD-UHFFFAOYSA-N 0 0 305.382 0.585 50 0 DCAARN CC(C)[C@@H](NC(N)=O)C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000044938937 415234259 /nfs/dbraw/zinc/23/42/59/415234259.db2.gz DFBRVHMWESXCSE-CQSZACIVSA-N 0 0 319.409 0.991 50 0 DCAARN COc1cccc(CCNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000044945858 415235067 /nfs/dbraw/zinc/23/50/67/415235067.db2.gz ZZAZTRMYCNCQKK-LBPRGKRZSA-N 0 0 312.391 0.724 50 0 DCAARN COCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(OC)cc1 ZINC000044947811 415235071 /nfs/dbraw/zinc/23/50/71/415235071.db2.gz PIEFKDMQVJIUMC-SNVBAGLBSA-N 0 0 301.364 0.620 50 0 DCAARN NC(=O)CS(=O)(=O)Cc1noc(-c2ccc(Cl)cc2)n1 ZINC000044938820 415236235 /nfs/dbraw/zinc/23/62/35/415236235.db2.gz RBOPXYHZRHLRSI-UHFFFAOYSA-N 0 0 315.738 0.790 50 0 DCAARN C[C@@H](C(=O)N1CCN(Cc2ccncc2)CC1)S(C)(=O)=O ZINC000044949368 415238733 /nfs/dbraw/zinc/23/87/33/415238733.db2.gz JYHOMMWOFULZGZ-LBPRGKRZSA-N 0 0 311.407 0.159 50 0 DCAARN NC(=O)C1CCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000045131315 415243294 /nfs/dbraw/zinc/24/32/94/415243294.db2.gz ZMKNZMHNIXJKEZ-CYBMUJFWSA-N 0 0 317.393 0.417 50 0 DCAARN CCOCCS(=O)(=O)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000045348965 415247960 /nfs/dbraw/zinc/24/79/60/415247960.db2.gz NUPNKDJRKGUEIZ-UHFFFAOYSA-N 0 0 310.375 0.954 50 0 DCAARN COc1ncccc1CNC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000045653494 415252226 /nfs/dbraw/zinc/25/22/26/415252226.db2.gz HPUZLHPBERKLDA-SNVBAGLBSA-N 0 0 313.379 0.324 50 0 DCAARN CC(C)N1C[C@@H](C(=O)NCc2nnc3ccccn32)CC1=O ZINC000046318983 415258295 /nfs/dbraw/zinc/25/82/95/415258295.db2.gz NDZRWCNCODXJNH-NSHDSACASA-N 0 0 301.350 0.602 50 0 DCAARN CC[C@H]1CN(C(=O)Cc2csc(N3CCNC3=O)n2)CCO1 ZINC000046764570 415264308 /nfs/dbraw/zinc/26/43/08/415264308.db2.gz FJCJGQRWMBSHPM-NSHDSACASA-N 0 0 324.406 0.853 50 0 DCAARN C[C@@H](NC(=O)N1CCN(c2cnccn2)CC1)c1nncn1C ZINC000046962002 415264322 /nfs/dbraw/zinc/26/43/22/415264322.db2.gz ZVPJRGDPSFSKQO-LLVKDONJSA-N 0 0 316.369 0.198 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)Nc2nnc(-c3ccccn3)s2)C1 ZINC000047791333 415281062 /nfs/dbraw/zinc/28/10/62/415281062.db2.gz ATVYWDPLWBAOAC-MRVPVSSYSA-N 0 0 318.362 0.939 50 0 DCAARN Cc1ccc([C@H](C)NC(=O)NC2CCN(CC(N)=O)CC2)o1 ZINC000048060599 415282243 /nfs/dbraw/zinc/28/22/43/415282243.db2.gz GATGAFAVZIPEIT-NSHDSACASA-N 0 0 308.382 0.898 50 0 DCAARN CCc1nnc(CN2CCN(CC(=O)N[C@H](C)CC)CC2)o1 ZINC000044743612 415224134 /nfs/dbraw/zinc/22/41/34/415224134.db2.gz BUIDCJHGLDJMMV-GFCCVEGCSA-N 0 0 309.414 0.664 50 0 DCAARN O=C(Cn1nnc(COc2ccccc2)n1)NC[C@H]1CCCO1 ZINC000044873252 415228402 /nfs/dbraw/zinc/22/84/02/415228402.db2.gz JOXIPBXZDJXXPZ-CYBMUJFWSA-N 0 0 317.349 0.547 50 0 DCAARN C[C@@H]1COCCN1C(=O)Cn1cnc2ccc(F)cc2c1=O ZINC000044912229 415231200 /nfs/dbraw/zinc/23/12/00/415231200.db2.gz BHXAZQUEWAGKCS-SNVBAGLBSA-N 0 0 305.309 0.783 50 0 DCAARN COc1nc(C)c(C(=O)N2C[C@H]([NH+](C)C)C[C@H]2C(=O)[O-])s1 ZINC000065457287 415354413 /nfs/dbraw/zinc/35/44/13/415354413.db2.gz OXLKLAZPMBNWEW-BDAKNGLRSA-N 0 0 313.379 0.689 50 0 DCAARN Cc1cc(C)n(C[C@H](C)CNC(=O)CN(C)S(C)(=O)=O)n1 ZINC000048410077 415289854 /nfs/dbraw/zinc/28/98/54/415289854.db2.gz IJNLPROCQJVPFC-SNVBAGLBSA-N 0 0 316.427 0.144 50 0 DCAARN C[C@H](C(=O)NCc1cccc(N2CCCC2=O)c1)S(C)(=O)=O ZINC000049759184 415307213 /nfs/dbraw/zinc/30/72/13/415307213.db2.gz XBBDLUYNGWSBNP-LLVKDONJSA-N 0 0 324.402 0.863 50 0 DCAARN C[C@H](C(N)=O)S(=O)(=O)Cc1csc(-c2cnn(C)c2)n1 ZINC000049458694 415308585 /nfs/dbraw/zinc/30/85/85/415308585.db2.gz TZUBEEFUEGSQRW-SSDOTTSWSA-N 0 0 314.392 0.332 50 0 DCAARN COc1cccc2nnc(NC(=O)CCC(=O)NC(C)C)n21 ZINC000065314449 415357604 /nfs/dbraw/zinc/35/76/04/415357604.db2.gz OKIFYZQKMINEFR-UHFFFAOYSA-N 0 0 305.338 0.981 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)c3c[nH]cc(C)c3=O)CCO2)[nH]1 ZINC000332323843 415343968 /nfs/dbraw/zinc/34/39/68/415343968.db2.gz LTBDCMNDABNSHS-NSHDSACASA-N 0 0 317.349 0.578 50 0 DCAARN CC(=O)N[C@H]1CCN(c2nccc(N3CCC(O)CC3)n2)C1 ZINC000065418640 415357842 /nfs/dbraw/zinc/35/78/42/415357842.db2.gz XQIGVRVKFCPVQY-LBPRGKRZSA-N 0 0 305.382 0.153 50 0 DCAARN C[C@@H]1CN(CCN2CCCC2=O)CCN1Cc1nccn1C ZINC000069453991 415400896 /nfs/dbraw/zinc/40/08/96/415400896.db2.gz QNJKGEHBFBZMAJ-CQSZACIVSA-N 0 0 305.426 0.549 50 0 DCAARN NC(=O)NCC(=O)N1CCC2(CC1)c1ccccc1C[C@@H]2O ZINC000072172753 415411788 /nfs/dbraw/zinc/41/17/88/415411788.db2.gz BLJJNXURQLGNQJ-ZDUSSCGKSA-N 0 0 303.362 0.132 50 0 DCAARN O=C(CO)N1CCN(Cc2ccc(F)c(F)c2)[C@H](CCO)C1 ZINC000072435646 415415590 /nfs/dbraw/zinc/41/55/90/415415590.db2.gz NFXOTNYXIRVSMV-GFCCVEGCSA-N 0 0 314.332 0.352 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cnc2n1CCCC2 ZINC000067851104 415388840 /nfs/dbraw/zinc/38/88/40/415388840.db2.gz FZUHXFMRSZUOEB-JTQLQIEISA-N 0 0 312.395 0.582 50 0 DCAARN Cn1cc([C@@H]2CN(Cc3cn(C(C)(C)C)nn3)C[C@H]2CO)cn1 ZINC000278801944 415491353 /nfs/dbraw/zinc/49/13/53/415491353.db2.gz XTQYRUYHSDEIGN-ZFWWWQNUSA-N 0 0 318.425 0.975 50 0 DCAARN O=S(=O)(NCCCOCc1ccccc1)N1CCOCC1 ZINC000084539504 415495866 /nfs/dbraw/zinc/49/58/66/415495866.db2.gz YWUVGICHRRRWLT-UHFFFAOYSA-N 0 0 314.407 0.760 50 0 DCAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCCO)c1ccco1 ZINC000084525682 415497737 /nfs/dbraw/zinc/49/77/37/415497737.db2.gz QMEMKDVUZGZVGU-ZDUSSCGKSA-N 0 0 302.330 0.729 50 0 DCAARN CC[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1N1CCOCC1 ZINC000084735960 415499344 /nfs/dbraw/zinc/49/93/44/415499344.db2.gz ZTWHLODCEUEELM-VXGBXAGGSA-N 0 0 305.382 0.242 50 0 DCAARN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](O)COCC(C)C ZINC000084718673 415501657 /nfs/dbraw/zinc/50/16/57/415501657.db2.gz VMXZCDOQETVCBE-VXGBXAGGSA-N 0 0 318.439 0.448 50 0 DCAARN O=C1OCC[C@H]1N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000075131330 415438488 /nfs/dbraw/zinc/43/84/88/415438488.db2.gz BLDZWLHCVCHROC-GFCCVEGCSA-N 0 0 306.366 0.770 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccco2)[nH]c1=O ZINC000075124840 415439128 /nfs/dbraw/zinc/43/91/28/415439128.db2.gz NJHXPPIVDYEDII-SECBINFHSA-N 0 0 322.342 0.552 50 0 DCAARN CCOC(=O)CNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000075164229 415440929 /nfs/dbraw/zinc/44/09/29/415440929.db2.gz RCEKLIGXQXESQI-CYBMUJFWSA-N 0 0 320.345 0.093 50 0 DCAARN COc1ccc(-n2nnc(C(=O)NCc3ccncc3)n2)cc1 ZINC000075163492 415443282 /nfs/dbraw/zinc/44/32/82/415443282.db2.gz PMIHMPGODWTWAB-UHFFFAOYSA-N 0 0 310.317 0.996 50 0 DCAARN O=C(c1cnn(-c2ccccc2F)c1)N1CCN(CCO)CC1 ZINC000075604870 415450981 /nfs/dbraw/zinc/45/09/81/415450981.db2.gz YWUZEADTYBNDBS-UHFFFAOYSA-N 0 0 318.352 0.762 50 0 DCAARN Cc1nc(N(C)C)ncc1-c1nc(CN2CCN(C)CC2)no1 ZINC000095356497 415551965 /nfs/dbraw/zinc/55/19/65/415551965.db2.gz HXPXKLBRDBKLGM-UHFFFAOYSA-N 0 0 317.397 0.648 50 0 DCAARN Cn1c(Cn2ccnc2)nnc1[C@H]1CCC[N@H+](CC(=O)[O-])C1 ZINC000095363750 415552396 /nfs/dbraw/zinc/55/23/96/415552396.db2.gz REVROGVBQJEZRY-NSHDSACASA-N 0 0 304.354 0.324 50 0 DCAARN CN1Cc2ccccc2C[C@H]1C(=O)NCc1nnc2n1CCC2 ZINC000095374293 415559303 /nfs/dbraw/zinc/55/93/03/415559303.db2.gz HLZQWEZBCDHZLA-AWEZNQCLSA-N 0 0 311.389 0.897 50 0 DCAARN O=C(NCCCO)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000095478048 415561841 /nfs/dbraw/zinc/56/18/41/415561841.db2.gz GVDPGXGIWBXMLL-VIFPVBQESA-N 0 0 320.324 0.554 50 0 DCAARN Cc1cc(CNC(=O)N2CCCN(S(C)(=O)=O)CC2)no1 ZINC000095955027 415563649 /nfs/dbraw/zinc/56/36/49/415563649.db2.gz AKOWORZCUVWGSM-UHFFFAOYSA-N 0 0 316.383 0.160 50 0 DCAARN CCN1CC2(CC1=O)CCN(C(=O)Cc1cnccn1)CC2 ZINC000095503893 415564024 /nfs/dbraw/zinc/56/40/24/415564024.db2.gz DNIBAIDDXWVCFE-UHFFFAOYSA-N 0 0 302.378 0.880 50 0 DCAARN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nncn1C ZINC000095949249 415564087 /nfs/dbraw/zinc/56/40/87/415564087.db2.gz QQWJUGKDIFBKBW-AWEZNQCLSA-N 0 0 313.361 0.405 50 0 DCAARN CCO[C@@H]1C[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@@]12CCCO2 ZINC000095940072 415565855 /nfs/dbraw/zinc/56/58/55/415565855.db2.gz BBKWTETXIGHLJN-ZOWXZIJZSA-N 0 0 307.350 0.237 50 0 DCAARN Cc1ccc([C@H]2[C@@H](C(=O)N3CCOCC3)OCC(=O)N2C)cc1 ZINC000096181464 415574538 /nfs/dbraw/zinc/57/45/38/415574538.db2.gz BQOHJENQHZENCE-HOTGVXAUSA-N 0 0 318.373 0.752 50 0 DCAARN C[C@H](O)[C@H]1NC(=O)N(c2ccc3c(c2)NC(=O)[C@H](C)O3)C1=O ZINC000333300225 415604405 /nfs/dbraw/zinc/60/44/05/415604405.db2.gz BSKHHZFGVRIINQ-OKTBNZSVSA-N 0 0 305.290 0.212 50 0 DCAARN COC[C@]1(C)NC(=O)N(CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1=O ZINC000106764478 415645375 /nfs/dbraw/zinc/64/53/75/415645375.db2.gz ZWQZYZBLJVRZLX-PGUXBMHVSA-N 0 0 311.382 0.733 50 0 DCAARN CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCn2ccnc2C1 ZINC000097201428 415584470 /nfs/dbraw/zinc/58/44/70/415584470.db2.gz GNFFKGBQPTUVFH-CQSZACIVSA-N 0 0 313.361 0.896 50 0 DCAARN Cc1nnc(COC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)o1 ZINC000102591611 415598736 /nfs/dbraw/zinc/59/87/36/415598736.db2.gz AIMCLFJSQXGWPU-AOOOYVTPSA-N 0 0 307.306 0.596 50 0 DCAARN C[C@@H]1C[C@H](OC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C(=O)O1 ZINC000108056134 415674872 /nfs/dbraw/zinc/67/48/72/415674872.db2.gz WWAUVLAYXACZBH-RHYQMDGZSA-N 0 0 323.345 0.799 50 0 DCAARN Nc1ccnc(CN2CCCC[C@H]2C(=O)N2CCOCC2)n1 ZINC000135033921 415957300 /nfs/dbraw/zinc/95/73/00/415957300.db2.gz ZEFMBDIANQYKFR-LBPRGKRZSA-N 0 0 305.382 0.272 50 0 DCAARN NC(=O)[C@H]1CC[C@@H](CNC(=O)NCc2nc(C3CC3)cs2)O1 ZINC000152588034 415967638 /nfs/dbraw/zinc/96/76/38/415967638.db2.gz ADIDRAAIUDCXLB-GXSJLCMTSA-N 0 0 324.406 0.853 50 0 DCAARN Cc1n[nH]c(C)c1C[N@@H+]1C[C@H](CC(=O)[O-])[C@H](c2c[nH]nn2)C1 ZINC000299763804 416065200 /nfs/dbraw/zinc/06/52/00/416065200.db2.gz DHWIRGLZIAVVEI-CMPLNLGQSA-N 0 0 304.354 0.835 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ncc2c(n1)CCC2 ZINC000299763754 416065290 /nfs/dbraw/zinc/06/52/90/416065290.db2.gz QZEDZNLCIJJRDN-LBPRGKRZSA-N 0 0 324.406 0.006 50 0 DCAARN O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1c[nH]c(=O)cn1 ZINC000299774492 416066201 /nfs/dbraw/zinc/06/62/01/416066201.db2.gz JLCLWYROZDBKPX-SNVBAGLBSA-N 0 0 304.350 0.703 50 0 DCAARN CCN1CCNC(=O)[C@H]1CC(=O)N1CC(n2nc(C)cc2C)C1 ZINC000299795978 416071895 /nfs/dbraw/zinc/07/18/95/416071895.db2.gz MEFHAMQAOXFAPQ-CQSZACIVSA-N 0 0 319.409 0.094 50 0 DCAARN COc1nnc(NC(=O)N[C@@H](C)C(=O)OC(C)(C)C)s1 ZINC000338452665 416100138 /nfs/dbraw/zinc/10/01/38/416100138.db2.gz ACRXNXBBFBFXCO-LURJTMIESA-N 0 0 302.356 1.398 50 0 DCAARN C[C@@H](CN1CCCC1=O)NC(=O)[C@@H]1COCCN1C1CCCC1 ZINC000192190481 416301598 /nfs/dbraw/zinc/30/15/98/416301598.db2.gz XZXFZZPDFXFUHJ-ZFWWWQNUSA-N 0 0 323.437 0.757 50 0 DCAARN COCc1nc(C(=O)N2CCC[C@H](OCCO)C2)cs1 ZINC000331234954 416292240 /nfs/dbraw/zinc/29/22/40/416292240.db2.gz JYIPNWDUTBVRGB-JTQLQIEISA-N 0 0 300.380 0.903 50 0 DCAARN Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)Cc1c[nH]c(=O)n(C)c1=O ZINC000215378204 416327059 /nfs/dbraw/zinc/32/70/59/416327059.db2.gz YVUKSBNKKYFFEE-JTQLQIEISA-N 0 0 319.365 0.176 50 0 DCAARN Cn1cc(C(=O)NCc2cc(C(C)(C)C)n[nH]2)c(=O)[nH]c1=O ZINC000215394115 416327076 /nfs/dbraw/zinc/32/70/76/416327076.db2.gz HVGUPHODHWLPBZ-UHFFFAOYSA-N 0 0 305.338 0.024 50 0 DCAARN Cc1nn(C)c2nc(C)cc(C(=O)N[C@H]3C=CS(=O)(=O)C3)c12 ZINC000215447192 416327176 /nfs/dbraw/zinc/32/71/76/416327176.db2.gz SQSBNAQKRZGFCI-JTQLQIEISA-N 0 0 320.374 0.626 50 0 DCAARN O=C(CN1CCOC1=O)NC[C@@H]1CCCN(c2ncccn2)C1 ZINC000215628555 416327289 /nfs/dbraw/zinc/32/72/89/416327289.db2.gz XDEKFHPSRCSYQG-LBPRGKRZSA-N 0 0 319.365 0.261 50 0 DCAARN O=C(COc1ccccc1F)N1CC(N2C(=O)COC2=O)C1 ZINC000225695905 416327785 /nfs/dbraw/zinc/32/77/85/416327785.db2.gz MCIIVPJGODNPDS-UHFFFAOYSA-N 0 0 308.265 0.394 50 0 DCAARN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000229557130 416328079 /nfs/dbraw/zinc/32/80/79/416328079.db2.gz OABFTOLERHWVQJ-RBSFLKMASA-N 0 0 322.409 0.268 50 0 DCAARN Cn1nc(C(=O)NCc2nnc3c(=O)[nH]ccn23)c2ccccc21 ZINC000240002195 416329980 /nfs/dbraw/zinc/32/99/80/416329980.db2.gz POPDXYIAXDICJN-UHFFFAOYSA-N 0 0 323.316 0.647 50 0 DCAARN NC(=O)NC(=O)CCN1C(=O)C[C@@]2(CCc3ccccc32)C1=O ZINC000241157238 416330064 /nfs/dbraw/zinc/33/00/64/416330064.db2.gz JWAHFUDDSVNJSE-MRXNPFEDSA-N 0 0 315.329 0.215 50 0 DCAARN CO[C@@H]1C[C@@H]2C(=O)N([C@@H]3CCN(CC(F)(F)F)C3)C(=O)N2C1 ZINC000240407400 416330095 /nfs/dbraw/zinc/33/00/95/416330095.db2.gz FLXXOIPSQSIMJT-OPRDCNLKSA-N 0 0 321.299 0.675 50 0 DCAARN Cc1onc(C(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)c1CO ZINC000243957134 416330518 /nfs/dbraw/zinc/33/05/18/416330518.db2.gz CGJDPWYWZWBPPK-NDMJEZRESA-N 0 0 320.349 0.451 50 0 DCAARN O=C(COC[C@H]1CCCCO1)N1CCc2[nH][nH]c(=O)c2CC1 ZINC000244659700 416330618 /nfs/dbraw/zinc/33/06/18/416330618.db2.gz HHKHMUBLRRZTMK-LLVKDONJSA-N 0 0 309.366 0.216 50 0 DCAARN COc1cncc([C@@H](NC(=O)c2[nH]nnc2C)[C@H]2C[C@H](O)C2)c1 ZINC000244652072 416330669 /nfs/dbraw/zinc/33/06/69/416330669.db2.gz GZFPLYQCNAKBQN-CHIMOYNISA-N 0 0 317.349 0.759 50 0 DCAARN C[C@@H](Cn1cncn1)C(=O)N1CCCN(c2ncccn2)CC1 ZINC000244659613 416330743 /nfs/dbraw/zinc/33/07/43/416330743.db2.gz HFSTYRJHYMIOIK-ZDUSSCGKSA-N 0 0 315.381 0.443 50 0 DCAARN Cn1cc([C@@H](NC(=O)c2cc(CO)ccn2)[C@H]2C[C@H](O)C2)cn1 ZINC000244723474 416330806 /nfs/dbraw/zinc/33/08/06/416330806.db2.gz MCFCAKNNBRQMOM-WHOFXGATSA-N 0 0 316.361 0.549 50 0 DCAARN COCc1nnc(NC(=O)CN2CCc3nc[nH]c3C2)s1 ZINC000244691768 416330852 /nfs/dbraw/zinc/33/08/52/416330852.db2.gz JIXBFKQIUPQLOH-UHFFFAOYSA-N 0 0 308.367 0.404 50 0 DCAARN CCNC(=O)[C@H](C)NS(=O)(=O)c1cnnn1-c1ccccc1 ZINC000583650843 416480317 /nfs/dbraw/zinc/48/03/17/416480317.db2.gz AIDMAHKRRTYEFG-JTQLQIEISA-N 0 0 323.378 0.070 50 0 DCAARN CCCn1[nH]ccc1=NC(=O)CN1CC(n2cc(C)cn2)C1 ZINC000588084847 416523359 /nfs/dbraw/zinc/52/33/59/416523359.db2.gz VVPCPWODHHLRIQ-UHFFFAOYSA-N 0 0 302.382 0.715 50 0 DCAARN COc1ccc2ncn(CCc3nnc(N)s3)c(=O)c2c1 ZINC000584895291 416516857 /nfs/dbraw/zinc/51/68/57/416516857.db2.gz KACYTQNGYFTQMN-UHFFFAOYSA-N 0 0 303.347 1.082 50 0 DCAARN COC(=O)CCN1CC[C@H](N2C[C@@H](O)Cc3ccccc32)C1=O ZINC000585094402 416518386 /nfs/dbraw/zinc/51/83/86/416518386.db2.gz ZZZNIMVBEMEIQT-ZFWWWQNUSA-N 0 0 318.373 0.574 50 0 DCAARN COCCOc1cccc(C(=O)NCC2N=NC(=O)N2C)c1 ZINC000585129865 416520276 /nfs/dbraw/zinc/52/02/76/416520276.db2.gz AAHXUVJDCBFAQC-UHFFFAOYSA-N 0 0 306.322 0.476 50 0 DCAARN OCCNc1nc([C@@H]2CCOC2)cc(N2CCC(F)CC2)n1 ZINC000426683942 416777779 /nfs/dbraw/zinc/77/77/79/416777779.db2.gz RKNHVUVKMDDZBR-LLVKDONJSA-N 0 0 310.373 1.323 50 0 DCAARN CC[C@]1(O)CCCN(S(=O)(=O)N2CCC(OC)CC2)C1 ZINC000632667679 417221943 /nfs/dbraw/zinc/22/19/43/417221943.db2.gz ZGKMHDJTCVADDJ-ZDUSSCGKSA-N 0 0 306.428 0.579 50 0 DCAARN OC[C@@H]1CCC2(CCOCC2)CN1Cc1nnnn1C1CC1 ZINC000528634794 417369598 /nfs/dbraw/zinc/36/95/98/417369598.db2.gz LSCOCPDDJBLLKQ-ZDUSSCGKSA-N 0 0 307.398 0.762 50 0 DCAARN COc1nn(C)cc1C(=O)N1CCC[C@H](Oc2ccncn2)C1 ZINC000575606254 417538688 /nfs/dbraw/zinc/53/86/88/417538688.db2.gz UABJVYIAVYEBMB-NSHDSACASA-N 0 0 317.349 0.902 50 0 DCAARN Cn1ccnc(N2CCN(c3ccc(C4CC4)nn3)CC2)c1=O ZINC000575606885 417540097 /nfs/dbraw/zinc/54/00/97/417540097.db2.gz GLQYWVYJFYWWRS-UHFFFAOYSA-N 0 0 312.377 0.774 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575619070 417540674 /nfs/dbraw/zinc/54/06/74/417540674.db2.gz GAQMCNJTQWJTJD-UHFFFAOYSA-N 0 0 311.411 0.282 50 0 DCAARN Cn1cc(-c2ccc(CNC(=O)N3CCNC3=O)cn2)cn1 ZINC000575617336 417540778 /nfs/dbraw/zinc/54/07/78/417540778.db2.gz VSDXTLXLPUQGFB-UHFFFAOYSA-N 0 0 300.322 0.717 50 0 DCAARN Cn1nccc1-c1ccc(CNC(=O)N2CCNC2=O)cn1 ZINC000575619166 417541456 /nfs/dbraw/zinc/54/14/56/417541456.db2.gz IGJBMBDHOXMSME-UHFFFAOYSA-N 0 0 300.322 0.717 50 0 DCAARN c1nc(CN2CCN(c3nnnn3-c3ccccc3)CC2)n[nH]1 ZINC000651457334 418380836 /nfs/dbraw/zinc/38/08/36/418380836.db2.gz YLYOQHVWIHFTLC-UHFFFAOYSA-N 0 0 311.353 0.103 50 0 DCAARN NS(=O)(=O)C[C@H]1CCN(C(=O)c2cn3ccsc3n2)C1 ZINC000299762179 229408618 /nfs/dbraw/zinc/40/86/18/229408618.db2.gz LRCJHURXDOLFLI-QMMMGPOBSA-N 0 0 314.392 0.146 50 0 DCAARN Cc1nn(CCCNC(=O)CN2CCN(C)C2=O)c(C)c1C ZINC000299774394 229424446 /nfs/dbraw/zinc/42/44/46/229424446.db2.gz CQKASIGNZHSEQE-UHFFFAOYSA-N 0 0 307.398 0.682 50 0 DCAARN CC(=O)N1CCN(C(=O)Cn2ccc3ccccc32)C[C@@H](O)C1 ZINC000097784930 262547230 /nfs/dbraw/zinc/54/72/30/262547230.db2.gz UMYORJPRIFDAFS-HNNXBMFYSA-N 0 0 315.373 0.693 50 0 DCAARN CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCC1OCCCO1 ZINC000496840279 272347110 /nfs/dbraw/zinc/34/71/10/272347110.db2.gz RISDGQWAOBIFQG-SNVBAGLBSA-N 0 0 300.355 0.875 50 0 DCAARN CC(C)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C ZINC000004317965 275923622 /nfs/dbraw/zinc/92/36/22/275923622.db2.gz JAKXHVAHZCHEDG-UHFFFAOYSA-N 0 0 315.171 0.852 50 0 DCAARN CC(C)n1cc(C(=O)N2CCCN([C@H]3COC[C@@H]3O)CC2)cn1 ZINC000077378625 276082979 /nfs/dbraw/zinc/08/29/79/276082979.db2.gz NQGSEQXPADEMTJ-GJZGRUSLSA-N 0 0 322.409 0.372 50 0 DCAARN CCOc1ccnc(N2CCN(C(=O)c3c[nH]cn3)CC2)n1 ZINC000069538695 276384423 /nfs/dbraw/zinc/38/44/23/276384423.db2.gz KTXVSUSHBMWTRW-UHFFFAOYSA-N 0 0 302.338 0.561 50 0 DCAARN CC(=O)NCc1ccc(S(=O)(=O)N2CCNC[C@H]2C)s1 ZINC000237459982 277037965 /nfs/dbraw/zinc/03/79/65/277037965.db2.gz DGYXWIUDJOZRMG-SECBINFHSA-N 0 0 317.436 0.367 50 0 DCAARN COC(=O)[C@H](C)n1cnc2c(nnn2-c2ccc(F)cc2)c1=O ZINC000004139902 277118321 /nfs/dbraw/zinc/11/83/21/277118321.db2.gz COGMDMLFCUMLNF-QMMMGPOBSA-N 0 0 317.280 0.850 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccc2c(c1)OCCO2 ZINC000016381387 277236244 /nfs/dbraw/zinc/23/62/44/277236244.db2.gz FJLHJQQPFJTVDT-SNVBAGLBSA-N 0 0 307.350 0.734 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@]2(C)NN1 ZINC000004871913 277311296 /nfs/dbraw/zinc/31/12/96/277311296.db2.gz CWMNPKVIVXJWIM-XPTSAGLGSA-N 0 0 321.720 0.720 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@]2(C)NN1 ZINC000004897987 277311304 /nfs/dbraw/zinc/31/13/04/277311304.db2.gz MJVRDYGXWVKTPB-OTYXRUKQSA-N 0 0 321.720 0.720 50 0 DCAARN COc1ccc2c(c1)C(=O)N(C)C(=O)/C2=C\N1CCOCC1 ZINC000000844830 277432797 /nfs/dbraw/zinc/43/27/97/277432797.db2.gz WPATZIKHYGWVQZ-UVTDQMKNSA-N 0 0 302.330 0.981 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H]2CCCO2)[C@@H](C)CN1C(=O)[C@H]1CCCO1 ZINC000239164898 287967221 /nfs/dbraw/zinc/96/72/21/287967221.db2.gz NCRJFOUCNRHDNJ-KPWCQOOUSA-N 0 0 310.394 0.792 50 0 DCAARN CC(=O)N1CCCN(C(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000055199556 278002554 /nfs/dbraw/zinc/00/25/54/278002554.db2.gz GRQTZTHKBKJYQL-UHFFFAOYSA-N 0 0 324.402 0.785 50 0 DCAARN CC(C)c1cc(C(=O)N[C@H]2C=CS(=O)(=O)C2)nc2ncnn21 ZINC000091713731 278016842 /nfs/dbraw/zinc/01/68/42/278016842.db2.gz DZGLFMJWFDQMAN-VIFPVBQESA-N 0 0 321.362 0.288 50 0 DCAARN CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)c1ccccc1N(C)C2=O ZINC000000523781 278086470 /nfs/dbraw/zinc/08/64/70/278086470.db2.gz TYLBKJURLHFHIN-CQSZACIVSA-N 0 0 318.358 0.818 50 0 DCAARN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCc2c(nc[nH]c2=O)C1 ZINC000072162957 278138247 /nfs/dbraw/zinc/13/82/47/278138247.db2.gz IECFAXCZCOGSDV-LBPRGKRZSA-N 0 0 306.366 0.205 50 0 DCAARN CC1(C)OCC2(CN(C(=O)c3cnn4c3OCCC4)C2)CO1 ZINC000090583994 278411393 /nfs/dbraw/zinc/41/13/93/278411393.db2.gz YDQANFVTGINPMS-UHFFFAOYSA-N 0 0 307.350 0.891 50 0 DCAARN Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1C[C@@H]1CCCO1 ZINC000002364112 280224132 /nfs/dbraw/zinc/22/41/32/280224132.db2.gz NBGNUBRVDRUSEG-JTQLQIEISA-N 0 0 317.349 0.472 50 0 DCAARN O=S1(=O)C[C@H]2NC(=S)N(CCc3ccc(F)cc3)[C@@H]2C1 ZINC000009341314 280352145 /nfs/dbraw/zinc/35/21/45/280352145.db2.gz UKYNTADNGSLVPI-VXGBXAGGSA-N 0 0 314.407 0.724 50 0 DCAARN CCc1nnc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)s1 ZINC000102287697 281560508 /nfs/dbraw/zinc/56/05/08/281560508.db2.gz QKRGVNWCLXBALZ-IUCAKERBSA-N 0 0 320.374 0.990 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000072242145 288965433 /nfs/dbraw/zinc/96/54/33/288965433.db2.gz APOMQEYJQYGAGI-WFASDCNBSA-N 0 0 321.352 0.550 50 0 DCAARN CN(CCNS(C)(=O)=O)C(=O)[C@]1(C)CC1(Cl)Cl ZINC000079096063 289673846 /nfs/dbraw/zinc/67/38/46/289673846.db2.gz PUDPACIXJYSAHR-QMMMGPOBSA-N 0 0 303.211 0.578 50 0 DCAARN Cc1oc(NC(=O)CN2CCOC[C@H]2C)c2c1c(C)n[nH]c2=O ZINC000026451996 294036182 /nfs/dbraw/zinc/03/61/82/294036182.db2.gz LMKCUKKCDKDETR-MRVPVSSYSA-N 0 0 320.349 0.792 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)NC(=O)C[C@@H]2c1ccc(F)cc1 ZINC000004761125 294137149 /nfs/dbraw/zinc/13/71/49/294137149.db2.gz VIKBLYYCHRKLMO-SNVBAGLBSA-N 0 0 303.293 0.697 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)NC(=O)N[C@@H]2c1ccc(Cl)cc1 ZINC000020723472 294137556 /nfs/dbraw/zinc/13/75/56/294137556.db2.gz SVCPZHZCMKNVIF-SNVBAGLBSA-N 0 0 320.736 0.962 50 0 DCAARN NC(=O)NC(=O)CN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000065965139 295072990 /nfs/dbraw/zinc/07/29/90/295072990.db2.gz AIUXONLUYDVFCB-UHFFFAOYSA-N 0 0 310.398 0.342 50 0 DCAARN COc1ccc([C@@H](C)NC(=O)CCNS(C)(=O)=O)cc1F ZINC000044916097 295205782 /nfs/dbraw/zinc/20/57/82/295205782.db2.gz PIUOBVBLQJLDGI-SECBINFHSA-N 0 0 318.370 0.951 50 0 DCAARN COc1cccc([C@@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1OC ZINC000018205225 295315103 /nfs/dbraw/zinc/31/51/03/295315103.db2.gz UNJPCPWYEMGMLI-QMMMGPOBSA-N 0 0 316.317 0.843 50 0 DCAARN CS(=O)(=O)NCCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000029679887 295528004 /nfs/dbraw/zinc/52/80/04/295528004.db2.gz TZJDLGVOCQIGDS-UHFFFAOYSA-N 0 0 300.424 0.868 50 0 DCAARN Cc1ccc(CN(C)C(=O)[C@@H]2CCCN2S(C)(=O)=O)o1 ZINC000044893647 301578605 /nfs/dbraw/zinc/57/86/05/301578605.db2.gz MSIUYJLKDCDJBW-LBPRGKRZSA-N 0 0 300.380 0.970 50 0 DCAARN Cn1cc([C@@H]2Nc3ccccc3C(=O)N2C)c(=O)n(C)c1=O ZINC000032769280 302929703 /nfs/dbraw/zinc/92/97/03/302929703.db2.gz ZDVZTXFDFLTTCR-GFCCVEGCSA-N 0 0 300.318 0.280 50 0 DCAARN CSc1nc(C)cc(Oc2ccc(OCC(N)=O)nn2)n1 ZINC000002832691 331472600 /nfs/dbraw/zinc/47/26/00/331472600.db2.gz OJBPYWUYKRWALW-UHFFFAOYSA-N 0 0 307.335 0.953 50 0 DCAARN Cc1cccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)CC3)C2=O)c1 ZINC000018189994 331577841 /nfs/dbraw/zinc/57/78/41/331577841.db2.gz DGLNANFWPKCMPR-CQSZACIVSA-N 0 0 315.373 0.824 50 0 DCAARN Cc1cccc(=O)n1CCC(=O)NCC1(CO)CCOCC1 ZINC000534589974 334293743 /nfs/dbraw/zinc/29/37/43/334293743.db2.gz LYXGYMWVQLJRKZ-UHFFFAOYSA-N 0 0 308.378 0.452 50 0 DCAARN CNC(=O)[C@H]1CCCN1C(=O)NCCCNc1cccnc1 ZINC000534645931 334307328 /nfs/dbraw/zinc/30/73/28/334307328.db2.gz SGZLGTGFMRLXPH-CYBMUJFWSA-N 0 0 305.382 0.804 50 0 DCAARN CCCn1ccnc1CNC(=O)c1c[nH]c2cc(C)nn2c1=O ZINC000534630869 334307577 /nfs/dbraw/zinc/30/75/77/334307577.db2.gz VLQOJDVPFNYBDJ-UHFFFAOYSA-N 0 0 314.349 0.868 50 0 DCAARN Cc1ccc(S(=O)(=O)NCc2noc(C(N)=O)n2)c(C)c1 ZINC000534638333 334310171 /nfs/dbraw/zinc/31/01/71/334310171.db2.gz LWLTWEZXDWRVQR-UHFFFAOYSA-N 0 0 310.335 0.264 50 0 DCAARN Cc1onc(C(=O)N[C@@H]2CCCN(C(=O)C(C)C)C2)c1CO ZINC000534649954 334311340 /nfs/dbraw/zinc/31/13/40/334311340.db2.gz AAKBVHABSMNFJV-LLVKDONJSA-N 0 0 309.366 0.852 50 0 DCAARN COc1ccccc1OCCCN(C)C(=O)N[C@@H]1CCNC1=O ZINC000534653740 334312785 /nfs/dbraw/zinc/31/27/85/334312785.db2.gz HPCIRXZTIJTZFD-GFCCVEGCSA-N 0 0 321.377 0.994 50 0 DCAARN CCc1noc(CCNC(=O)NCC(=O)Nc2nccs2)n1 ZINC000534658801 334315016 /nfs/dbraw/zinc/31/50/16/334315016.db2.gz FAZPHLXPLUZRDF-UHFFFAOYSA-N 0 0 324.366 0.569 50 0 DCAARN C[C@H](C(=O)Nc1nccs1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000229552699 337383688 /nfs/dbraw/zinc/38/36/88/337383688.db2.gz CSCATOOPYYNXFF-GHMZBOCLSA-N 0 0 322.394 0.463 50 0 DCAARN CC(C)(C)S(=O)(=O)c1ccc(N2CC[C@@H](C(N)=O)C2)cn1 ZINC000267575952 518902645 /nfs/dbraw/zinc/90/26/45/518902645.db2.gz YBMWXJXZYGRBBO-SNVBAGLBSA-N 0 0 311.407 0.965 50 0 DCAARN Cc1ccc2[nH]c(COCC(=O)NC[C@H]3COCCO3)nc2c1 ZINC000299761613 534505525 /nfs/dbraw/zinc/50/55/25/534505525.db2.gz LULPJQZGLYMPDI-LBPRGKRZSA-N 0 0 319.361 0.920 50 0 DCAARN CC(C)(C)c1ccc(C(=O)NCC(=O)N2C[C@H](O)[C@@H](O)C2)cc1 ZINC000408515240 526764800 /nfs/dbraw/zinc/76/48/00/526764800.db2.gz NLJRRTLRAJKOBE-KBPBESRZSA-N 0 0 320.389 0.278 50 0 DCAARN CC(=O)c1ccc(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)s1 ZINC000299793101 527247116 /nfs/dbraw/zinc/24/71/16/527247116.db2.gz JAVKSDQIYFFVMN-SECBINFHSA-N 0 0 316.404 0.701 50 0 DCAARN CC(C)n1cnnc1CCNC(=O)c1ccc2nnnn2c1 ZINC000299789362 528632412 /nfs/dbraw/zinc/63/24/12/528632412.db2.gz YHAKKRSGXGSGJF-UHFFFAOYSA-N 0 0 300.326 0.269 50 0 DCAARN CN(Cc1nnc(C2CC2)o1)[C@@H]1CCN(CC(=O)NC2CC2)C1 ZINC000083867849 545698432 /nfs/dbraw/zinc/69/84/32/545698432.db2.gz MHTKAWPRMNRFDA-CYBMUJFWSA-N 0 0 319.409 0.732 50 0 DCAARN CC(C)c1nnc([C@H]2CN(Cc3nnnn3C3CC3)CCO2)[nH]1 ZINC000084630926 545702541 /nfs/dbraw/zinc/70/25/41/545702541.db2.gz YSFPGBQRVKAEPS-LLVKDONJSA-N 0 0 318.385 0.823 50 0 DCAARN CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc2c(cc1O)OCO2 ZINC000084811054 545703782 /nfs/dbraw/zinc/70/37/82/545703782.db2.gz UOTKEAKPRPEYMC-MRVPVSSYSA-N 0 0 315.347 0.674 50 0 DCAARN COC[C@H](C)NC(=O)Cn1c(=O)ncn1-c1cc(C)ccc1C ZINC000092276879 545721567 /nfs/dbraw/zinc/72/15/67/545721567.db2.gz DYQHYZLSSLTPIQ-ZDUSSCGKSA-N 0 0 318.377 0.802 50 0 DCAARN COC[C@H](C)n1ccc(NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC000189793611 545921298 /nfs/dbraw/zinc/92/12/98/545921298.db2.gz BBZLYDKZEZIBPA-WDEREUQCSA-N 0 0 321.381 0.975 50 0 DCAARN C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCCO1 ZINC000215786819 545937145 /nfs/dbraw/zinc/93/71/45/545937145.db2.gz NKWZXQILSXXTLQ-SECBINFHSA-N 0 0 303.318 0.467 50 0 DCAARN CC(C)N(C)S(=O)(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000360865281 546203191 /nfs/dbraw/zinc/20/31/91/546203191.db2.gz OAAYFTORLFGIFO-UHFFFAOYSA-N 0 0 311.407 0.920 50 0 DCAARN Cc1nnc(CN2CCN(Cc3nnnn3C(C)(C)C)CC2)[nH]1 ZINC000584908632 546303130 /nfs/dbraw/zinc/30/31/30/546303130.db2.gz NNYJBZFYZOFTDE-UHFFFAOYSA-N 0 0 319.417 0.172 50 0 DCAARN CC(C)O[C@@]1(CS(=O)(=O)N(C)c2ccn(C)n2)CCOC1 ZINC000585094247 546303536 /nfs/dbraw/zinc/30/35/36/546303536.db2.gz WBWBYXVHWHNGCC-ZDUSSCGKSA-N 0 0 317.411 0.770 50 0 DCAARN CC[C@@H]1CN(S(=O)(=O)c2cccc3nn(C)nc32)CCO1 ZINC000670435721 547088650 /nfs/dbraw/zinc/08/86/50/547088650.db2.gz ZHELXRXULOECQN-SNVBAGLBSA-N 0 0 310.379 0.768 50 0 DCAARN CN(C)C(=O)c1cncc(N(C)CCCN2CCOCC2)n1 ZINC000670444730 547093632 /nfs/dbraw/zinc/09/36/32/547093632.db2.gz ZFSJBBRTACEKQD-UHFFFAOYSA-N 0 0 307.398 0.337 50 0 DCAARN Cn1ccc(NC(=O)CN2CCOc3ccc(CO)cc3C2)n1 ZINC000670452946 547096173 /nfs/dbraw/zinc/09/61/73/547096173.db2.gz GJYMYKIVDVMYRR-UHFFFAOYSA-N 0 0 316.361 0.746 50 0 DCAARN C[C@H](NC(=O)CCS(C)(=O)=O)c1nc(-c2cccnc2)no1 ZINC000670452023 547096476 /nfs/dbraw/zinc/09/64/76/547096476.db2.gz KWFWBMDGVRBDSV-VIFPVBQESA-N 0 0 324.362 0.744 50 0 DCAARN C[C@@H](CNS(=O)(=O)C1CC1)[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000670465870 547098577 /nfs/dbraw/zinc/09/85/77/547098577.db2.gz OLZKAHZZRNRZTK-VIFPVBQESA-N 0 0 324.406 0.828 50 0 DCAARN Cc1ccncc1CC(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 ZINC000685941861 548746585 /nfs/dbraw/zinc/74/65/85/548746585.db2.gz JQXOCAHVDHEWPE-UONOGXRCSA-N 0 0 302.334 0.618 50 0 DCAARN COc1cc(C)cnc1C(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 ZINC000685942026 548747021 /nfs/dbraw/zinc/74/70/21/548747021.db2.gz LUXGGXILWQCULI-WCQYABFASA-N 0 0 318.333 0.698 50 0 DCAARN O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1cc2n(n1)CCC2 ZINC000685942967 548747773 /nfs/dbraw/zinc/74/77/73/548747773.db2.gz YXGFBKDHUQRKDK-QWHCGFSZSA-N 0 0 303.322 0.129 50 0 DCAARN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3ccccc3F)C2)C1 ZINC000685942089 548748346 /nfs/dbraw/zinc/74/83/46/548748346.db2.gz LDXVTGXLFIZZEA-JTQLQIEISA-N 0 0 319.336 0.245 50 0 DCAARN CN1C(=O)C[C@@H](CNC(=O)CN2CCOC2=O)c2ccccc21 ZINC000217109911 568416213 /nfs/dbraw/zinc/41/62/13/568416213.db2.gz WTAHKCJNQSHTPW-NSHDSACASA-N 0 0 317.345 0.705 50 0 DCAARN CN(Cc1cnc2ccccc2n1)C(=O)c1ccc(=O)n(C)n1 ZINC000020211187 659667000 /nfs/dbraw/zinc/66/70/00/659667000.db2.gz ZCXLLNROOPDVLN-UHFFFAOYSA-N 0 0 309.329 0.996 50 0 DCAARN CO[C@@H]1CN(CC(=O)NCC2CCCCC2)C[C@H]1c1c[nH]nn1 ZINC000585088467 661464964 /nfs/dbraw/zinc/46/49/64/661464964.db2.gz UBBWXVKCFALWOQ-DZGCQCFKSA-N 0 0 321.425 0.915 50 0 DCAARN Cc1nnc(CNC(=O)N2CCCC[C@H]2CN2CCOCC2)[nH]1 ZINC000426381817 661561150 /nfs/dbraw/zinc/56/11/50/661561150.db2.gz VSNJOGHVEPDOQQ-ZDUSSCGKSA-N 0 0 322.413 0.509 50 0 DCAARN CCOC(=O)N1CCN(C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000863968800 667204312 /nfs/dbraw/zinc/20/43/12/667204312.db2.gz OJLBDQTVZUHHFW-DZGCQCFKSA-N 0 0 300.399 0.673 50 0 DCAARN CCOC(=O)[C@@H]1CSCCN1C(=O)CCc1cnccn1 ZINC000792976009 669695221 /nfs/dbraw/zinc/69/52/21/669695221.db2.gz JULPCCUVDJEISG-LBPRGKRZSA-N 0 0 309.391 0.916 50 0 DCAARN COC(=O)[C@@](C)(CO)NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC000818027418 670962798 /nfs/dbraw/zinc/96/27/98/670962798.db2.gz PATBZIQWVUEHGF-YMTOWFKASA-N 0 0 316.354 0.036 50 0 DCAARN CS(=O)(=O)CCC(=O)NCc1nnc(-c2ccccc2)[nH]1 ZINC000726798576 685320692 /nfs/dbraw/zinc/32/06/92/685320692.db2.gz DNBDYQKJQYEGAY-UHFFFAOYSA-N 0 0 308.363 0.523 50 0 DCAARN O=C(c1cc(CN2CCC(O)CC2)on1)N1CCC(CO)CC1 ZINC000067559054 685069835 /nfs/dbraw/zinc/06/98/35/685069835.db2.gz RYSAHZWGTKGTCJ-UHFFFAOYSA-N 0 0 323.393 0.476 50 0 DCAARN Cc1nn(C)cc1NC(=O)C[N@@H+]1C[C@@H]2COCC[C@]2(C(=O)[O-])C1 ZINC001772701271 1157841062 /nfs/dbraw/zinc/84/10/62/1157841062.db2.gz LDDWMIDQCYVMMU-ABAIWWIYSA-N 0 0 322.365 0.090 50 0 DCAARN CN(C)c1nc2c(c(N[C@@H]3C[NH2+][C@H](C(=O)[O-])C3)n1)CCCC2 ZINC001772705988 1157844201 /nfs/dbraw/zinc/84/42/01/1157844201.db2.gz XEUKMSSSQIGPHJ-CABZTGNLSA-N 0 0 305.382 0.648 50 0 DCAARN Cc1nnc2n1C[C@@H](CNC(=O)c1nnc3n1CCCCC3)C2 ZINC001772707606 1157845878 /nfs/dbraw/zinc/84/58/78/1157845878.db2.gz XNNZBFUQQJBNFZ-LLVKDONJSA-N 0 0 315.381 0.507 50 0 DCAARN CC(C)c1cc(C(=O)N2CCC([C@@H](O)CO)CC2)nc(N)n1 ZINC001772712392 1157847121 /nfs/dbraw/zinc/84/71/21/1157847121.db2.gz LXJNIXGLFUTPKO-ZDUSSCGKSA-N 0 0 308.382 0.388 50 0 DCAARN O=C(CCCCc1cccnc1)N1C[C@@H]2[C@H](C1)C2(CO)CO ZINC001772708713 1157848335 /nfs/dbraw/zinc/84/83/35/1157848335.db2.gz BGJLLKSKKDKIRC-GASCZTMLSA-N 0 0 304.390 0.854 50 0 DCAARN Cc1nc(C)c(C(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)o1 ZINC001704299792 1179964178 /nfs/dbraw/zinc/96/41/78/1179964178.db2.gz KHFWAWKKGHVOPQ-LSDHHAIUSA-N 0 0 324.377 0.798 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cncc(O)c3)C[C@H]2O)[nH]n1 ZINC001704298985 1179964968 /nfs/dbraw/zinc/96/49/68/1179964968.db2.gz LKHVDJUKIAZXAD-BXUZGUMPSA-N 0 0 302.334 0.494 50 0 DCAARN Cc1cc(N)n(CC(=O)N2C[C@@H](Cc3ccccn3)[C@H](O)C2)n1 ZINC001704297989 1179965126 /nfs/dbraw/zinc/96/51/26/1179965126.db2.gz CJSVOGOYAQWYNJ-TZMCWYRMSA-N 0 0 315.377 0.231 50 0 DCAARN CCc1cc(CN2C[C@@H]3COC[C@H](C2)[N@H+](CC(=O)[O-])C3)on1 ZINC001704313071 1179969887 /nfs/dbraw/zinc/96/98/87/1179969887.db2.gz MKZJWASKEMUBQL-AAEUAGOBSA-N 0 0 309.366 0.454 50 0 DCAARN Cc1nccc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)n1 ZINC001704311923 1179969980 /nfs/dbraw/zinc/96/99/80/1179969980.db2.gz FDYMMCYVPYACPG-WDEREUQCSA-N 0 0 300.384 0.103 50 0 DCAARN Cc1nc(CN2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)n(C)c1C ZINC001704325352 1179973616 /nfs/dbraw/zinc/97/36/16/1179973616.db2.gz KQQHLBBBMAQZOX-JKSUJKDBSA-N 0 0 323.437 0.904 50 0 DCAARN CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccccc1 ZINC001704341491 1179979341 /nfs/dbraw/zinc/97/93/41/1179979341.db2.gz UQRDJQADYZBUPW-STQMWFEESA-N 0 0 312.391 0.323 50 0 DCAARN O=C(CN1CCOc2ccccc2C1)NCCCn1ccnn1 ZINC001704351695 1179983375 /nfs/dbraw/zinc/98/33/75/1179983375.db2.gz JGTOZMXLOSWYHY-UHFFFAOYSA-N 0 0 315.377 0.679 50 0 DCAARN CCN1C(=O)CN(C(=O)c2ccncc2)CC12CCOCC2 ZINC000581801814 747972721 /nfs/dbraw/zinc/97/27/21/747972721.db2.gz MNCZFCGZZVEVBT-UHFFFAOYSA-N 0 0 303.362 0.935 50 0 DCAARN CCOCc1cn([C@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)nn1 ZINC000675017806 748026238 /nfs/dbraw/zinc/02/62/38/748026238.db2.gz GXVJKAXQXNAOGH-ZDUSSCGKSA-N 0 0 318.381 0.944 50 0 DCAARN CO[C@H]1C[C@H]2CN(S(=O)(=O)c3ccccc3)CC(=O)N2C1 ZINC000675016278 748026854 /nfs/dbraw/zinc/02/68/54/748026854.db2.gz CMCKZMWZKNJPHL-RYUDHWBXSA-N 0 0 310.375 0.307 50 0 DCAARN CS(=O)(=O)N1CCC[C@](F)(C(=O)NCc2ccncc2)C1 ZINC000675022104 748028577 /nfs/dbraw/zinc/02/85/77/748028577.db2.gz WRUCWHFCCIYQSD-CYBMUJFWSA-N 0 0 315.370 0.462 50 0 DCAARN Cc1c(S(=O)(=O)NCc2noc(CC(C)C)n2)cnn1C ZINC000821487323 758174095 /nfs/dbraw/zinc/17/40/95/758174095.db2.gz MVDYYKWNRPGRAU-UHFFFAOYSA-N 0 0 313.383 0.789 50 0 DCAARN CN1CCN2CCN(C(=O)c3nnc4n3CCCCC4)C[C@H]2C1 ZINC000823796314 758275705 /nfs/dbraw/zinc/27/57/05/758275705.db2.gz HZVVERKMFLWTQU-CYBMUJFWSA-N 0 0 318.425 0.076 50 0 DCAARN COC[C@H](C)[N@@H+]1CCCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000824339176 758767339 /nfs/dbraw/zinc/76/73/39/758767339.db2.gz PKTQOPVXSUGXFN-AWEZNQCLSA-N 0 0 319.471 0.760 50 0 DCAARN COc1ccc2ncc(C(=O)N[C@@H]3COCC[C@H]3O)c(O)c2c1 ZINC000824757837 758783584 /nfs/dbraw/zinc/78/35/84/758783584.db2.gz MRSCRYPEOMTBEC-ZIAGYGMSSA-N 0 0 318.329 0.416 50 0 DCAARN O=C(NCC1CCN(C(=O)c2cn[nH]c2)CC1)c1ccon1 ZINC000828197426 758946758 /nfs/dbraw/zinc/94/67/58/758946758.db2.gz NDUGGOOBKMMXML-UHFFFAOYSA-N 0 0 303.322 0.680 50 0 DCAARN Cn1cnnc1SCCNC(=O)c1cnc(C2CC2)[nH]c1=O ZINC000828197645 758947156 /nfs/dbraw/zinc/94/71/56/758947156.db2.gz IEDWRBABDGNNAJ-UHFFFAOYSA-N 0 0 320.378 0.710 50 0 DCAARN O=C(NC[C@H]1CCCN(Cc2ncc[nH]2)C1)c1cncnc1 ZINC000828202219 758952291 /nfs/dbraw/zinc/95/22/91/758952291.db2.gz JWGVGZXZKSQXJX-GFCCVEGCSA-N 0 0 300.366 0.842 50 0 DCAARN O=C(NCCCc1nnc2ccccn21)C1=NNC(=O)CC1 ZINC000828250522 758965049 /nfs/dbraw/zinc/96/50/49/758965049.db2.gz XIKXKLVGXJVFSK-UHFFFAOYSA-N 0 0 300.322 0.044 50 0 DCAARN O=C(CSc1ncccn1)NCC[N@H+]1CCCC[C@@H]1CO ZINC000828710827 759073088 /nfs/dbraw/zinc/07/30/88/759073088.db2.gz KWNGRLAOQYODGK-GFCCVEGCSA-N 0 0 310.423 0.532 50 0 DCAARN O=C(C[C@@H]1CCN(C(=O)c2cccnc2)C1)N1CCOCC1 ZINC000581783117 760250149 /nfs/dbraw/zinc/25/01/49/760250149.db2.gz OAUOWNLFTKZNDU-ZDUSSCGKSA-N 0 0 303.362 0.793 50 0 DCAARN O=C(N[C@@H]1CN(C(=O)C2CCC2)CC[C@@H]1CO)c1cccnc1 ZINC000581799374 760250707 /nfs/dbraw/zinc/25/07/07/760250707.db2.gz UMUDNVWBDZVCIA-HUUCEWRRSA-N 0 0 317.389 0.821 50 0 DCAARN CS(=O)(=O)N1CC[C@@H](c2nc(CCOCC3CC3)no2)C1 ZINC000581798457 760251123 /nfs/dbraw/zinc/25/11/23/760251123.db2.gz IQJOGXULCMAIKG-LLVKDONJSA-N 0 0 315.395 0.788 50 0 DCAARN O=C(N[C@@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1CO)C1CC1 ZINC000581798652 760251214 /nfs/dbraw/zinc/25/12/14/760251214.db2.gz SVLWYIZEUNDFCM-ZIAGYGMSSA-N 0 0 310.394 0.149 50 0 DCAARN CCN1C(=O)CCN(C(=O)c2ccnn2C)CC12CCOCC2 ZINC000581801845 760251416 /nfs/dbraw/zinc/25/14/16/760251416.db2.gz QYNQCNPYTMRDLJ-UHFFFAOYSA-N 0 0 320.393 0.664 50 0 DCAARN COCCn1ncc(N2CC[C@@H](C(=O)NCC3CC3)C2)cc1=O ZINC000581792340 760252809 /nfs/dbraw/zinc/25/28/09/760252809.db2.gz GUDKNXYMSHEKQC-CYBMUJFWSA-N 0 0 320.393 0.242 50 0 DCAARN O=C(c1ccc(=O)[nH]n1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 ZINC000585341010 768080622 /nfs/dbraw/zinc/08/06/22/768080622.db2.gz LPCPJOFTSNOTCD-SNVBAGLBSA-N 0 0 319.296 0.795 50 0 DCAARN O=c1cc2c(nn1CC1CN(c3ccc4nncn4n3)C1)CCC2 ZINC000585603829 768082127 /nfs/dbraw/zinc/08/21/27/768082127.db2.gz LQTLRNAXMKUJDD-UHFFFAOYSA-N 0 0 323.360 0.306 50 0 DCAARN O=S(=O)(c1ccc2c(c1)CCO2)N1CC(Cn2cncn2)C1 ZINC000888106905 765410281 /nfs/dbraw/zinc/41/02/81/765410281.db2.gz DKZUHNAZPSRYGX-UHFFFAOYSA-N 0 0 320.374 0.534 50 0 DCAARN COC(=O)C1(Cn2c(=O)cc(N)n(CC(F)(F)F)c2=O)CC1 ZINC000585123170 766287576 /nfs/dbraw/zinc/28/75/76/766287576.db2.gz ZGMPXVKWQAFOQK-UHFFFAOYSA-N 0 0 321.255 0.108 50 0 DCAARN CS(=O)(=O)c1cc(NC(=O)COC[C@H]2CCCO2)ccn1 ZINC000585124366 766288281 /nfs/dbraw/zinc/28/82/81/766288281.db2.gz AEABDIISWYVWRU-LLVKDONJSA-N 0 0 314.363 0.619 50 0 DCAARN CN(CC(=O)N1c2ccccc2C(=O)C1(C)C)S(C)(=O)=O ZINC000585125856 766288985 /nfs/dbraw/zinc/28/89/85/766288985.db2.gz HNPJNKXBVMXXKM-UHFFFAOYSA-N 0 0 310.375 0.886 50 0 DCAARN C[C@]1(C(=O)NCC[S@](=O)C(F)(F)F)CCC(=O)NC1 ZINC000585128161 766290145 /nfs/dbraw/zinc/29/01/45/766290145.db2.gz UJHVKKGOLNACRI-UGZDLDLSSA-N 0 0 300.302 0.287 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CCO[C@H]2C(F)(F)F)c1Cl ZINC000585129218 766290810 /nfs/dbraw/zinc/29/08/10/766290810.db2.gz 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/nfs/dbraw/zinc/93/69/41/768936941.db2.gz WBCNVAHRDVADID-UHFFFAOYSA-N 0 0 323.378 0.188 50 0 DCAARN COCCN(CCOC)C1CN(C(=O)OC[C@H]2CCCO2)C1 ZINC000952877360 768941859 /nfs/dbraw/zinc/94/18/59/768941859.db2.gz OQTKLJIKWKEEDI-CQSZACIVSA-N 0 0 316.398 0.581 50 0 DCAARN CCC[C@]1(CO)CN(C(=O)Cn2ccc(=O)cc2)CC[C@H]1O ZINC001529147376 1014507774 /nfs/dbraw/zinc/50/77/74/1014507774.db2.gz YGVQTHBMOZIGHS-GDBMZVCRSA-N 0 0 308.378 0.220 50 0 DCAARN O=C(CCN1CCOCC1)N[C@H]1COC[C@H]1Cc1ccncc1 ZINC001529189831 1014517747 /nfs/dbraw/zinc/51/77/47/1014517747.db2.gz AFKREYBCVBKLKW-CVEARBPZSA-N 0 0 319.405 0.478 50 0 DCAARN COCCC[C@H]1CCCCN1C(=O)CCNS(C)(=O)=O ZINC001506398039 1017253828 /nfs/dbraw/zinc/25/38/28/1017253828.db2.gz IUTIBTQDAPFALY-GFCCVEGCSA-N 0 0 306.428 0.733 50 0 DCAARN COC[C@H]1CCCN(S(=O)(=O)NCCc2ccncc2)C1 ZINC001506406939 1017258705 /nfs/dbraw/zinc/25/87/05/1017258705.db2.gz KPBRLJLMZQHAPZ-AWEZNQCLSA-N 0 0 313.423 0.817 50 0 DCAARN O=C(c1n[nH]c(=O)c2ccccc21)N1CCN2C(=O)OC[C@@H]2C1 ZINC001506411046 1017261590 /nfs/dbraw/zinc/26/15/90/1017261590.db2.gz YWSWBLLOUMKVNY-VIFPVBQESA-N 0 0 314.301 0.612 50 0 DCAARN Cc1[nH]nc2c1CN(c1nccc(N3CC[C@H](O)C3)n1)CC2 ZINC001506424322 1017266199 /nfs/dbraw/zinc/26/61/99/1017266199.db2.gz ZUPWPTYFPNFWMG-NSHDSACASA-N 0 0 300.366 0.642 50 0 DCAARN CCc1noc(CN(C)c2nccc(N3CC[C@H](O)C3)n2)n1 ZINC001506428461 1017268439 /nfs/dbraw/zinc/26/84/39/1017268439.db2.gz PFEUHYSNMQXPCD-JTQLQIEISA-N 0 0 304.354 0.629 50 0 DCAARN Cc1nnnn1-c1cccc(C(=O)NCCN2CCOCC2)c1 ZINC000095472858 185372949 /nfs/dbraw/zinc/37/29/49/185372949.db2.gz QKRMZDZFLFEZLE-UHFFFAOYSA-N 0 0 316.365 0.033 50 0 DCAARN O=C(C[C@@H]1CC(=O)Oc2ccccc21)NCCN1CCOCC1 ZINC000095473080 185373036 /nfs/dbraw/zinc/37/30/36/185373036.db2.gz AGLQIDHTKFBKBA-CYBMUJFWSA-N 0 0 318.373 0.918 50 0 DCAARN COc1ccccc1CNC(=O)CCC(=O)N1CCNC(=O)C1 ZINC000095475044 185373277 /nfs/dbraw/zinc/37/32/77/185373277.db2.gz URVCXKBGDMIKCQ-UHFFFAOYSA-N 0 0 319.361 0.050 50 0 DCAARN O=C(Nc1ccc(-n2cnnn2)cc1)N1CCOC[C@@H](CO)C1 ZINC000095496512 185374146 /nfs/dbraw/zinc/37/41/46/185374146.db2.gz FEYFXYPJZZSTNL-LLVKDONJSA-N 0 0 318.337 0.135 50 0 DCAARN O=C(NCCN1CCOCC1)Nc1cccc(-n2cncn2)c1 ZINC000095518380 185376737 /nfs/dbraw/zinc/37/67/37/185376737.db2.gz XQSSKBVDHQLEJT-UHFFFAOYSA-N 0 0 316.365 0.721 50 0 DCAARN Cc1nc(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)n(C)n1 ZINC000225395079 201700658 /nfs/dbraw/zinc/70/06/58/201700658.db2.gz MCHDMYZYFQIJGJ-VIFPVBQESA-N 0 0 305.304 0.738 50 0 DCAARN CCCCCS(=O)(=O)N1CCN(C(=O)NCCOC)CC1 ZINC000078984394 185140186 /nfs/dbraw/zinc/14/01/86/185140186.db2.gz JFGUPUJALRHIRS-UHFFFAOYSA-N 0 0 321.443 0.480 50 0 DCAARN C[C@H]([C@H](C)N(C)CC(=O)N(C)Cc1ccco1)S(C)(=O)=O ZINC000079100382 185158345 /nfs/dbraw/zinc/15/83/45/185158345.db2.gz LTRRBBIPDHUVDD-NWDGAFQWSA-N 0 0 316.423 0.991 50 0 DCAARN CCCc1nc(C[S@](=O)[C@H](C)C(=O)NCCCOC)no1 ZINC000079324608 185165099 /nfs/dbraw/zinc/16/50/99/185165099.db2.gz IIUZSPTUPDCPHY-LADRHHBVSA-N 0 0 317.411 0.812 50 0 DCAARN CN(C)c1ccc(O[C@H]2CCN(C(=O)[C@@H]3CCOC3)C2)nn1 ZINC000225448276 201710402 /nfs/dbraw/zinc/71/04/02/201710402.db2.gz DRGYBOFASSFDJT-NEPJUHHUSA-N 0 0 306.366 0.559 50 0 DCAARN CCOC(=O)c1cnn(-c2ccc(S(N)(=O)=O)cc2)c1N ZINC000087489401 185226444 /nfs/dbraw/zinc/22/64/44/185226444.db2.gz MFGZXPGKKJMZIY-UHFFFAOYSA-N 0 0 310.335 0.279 50 0 DCAARN C[C@H]1CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CCN1 ZINC000088059599 185238392 /nfs/dbraw/zinc/23/83/92/185238392.db2.gz JUQCCQOFMDCEBN-JTQLQIEISA-N 0 0 318.420 0.073 50 0 DCAARN CCCn1nc(C(=O)N[C@H](C)c2nnc3n2CCC3)ccc1=O ZINC000089960614 185272106 /nfs/dbraw/zinc/27/21/06/185272106.db2.gz UHUKFPSICDEDNM-SNVBAGLBSA-N 0 0 316.365 0.682 50 0 DCAARN Cc1nc(C)c(C(=O)N2CCN(CCn3cncn3)CC2)s1 ZINC000082099893 192356072 /nfs/dbraw/zinc/35/60/72/192356072.db2.gz VGKNUCUADLJBJH-UHFFFAOYSA-N 0 0 320.422 0.809 50 0 DCAARN CN(C)Cc1nnc(C2CC[NH+](CC(=O)[O-])CC2)n1C1CC1 ZINC000082099771 192356745 /nfs/dbraw/zinc/35/67/45/192356745.db2.gz ZVFBQFJDZBDJRR-UHFFFAOYSA-N 0 0 307.398 0.939 50 0 DCAARN CCOC(=O)N1CCN(C(=O)c2cnn3c2OCCC3)CC1 ZINC000090626896 185307400 /nfs/dbraw/zinc/30/74/00/185307400.db2.gz UKKKKDJGKZTVRP-UHFFFAOYSA-N 0 0 308.338 0.580 50 0 DCAARN Cn1c2[nH]c(=O)n(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000000331426 190612763 /nfs/dbraw/zinc/61/27/63/190612763.db2.gz OIVHXQLLOOGXBR-UHFFFAOYSA-N 0 0 320.736 0.429 50 0 DCAARN CCn1nc(CC(C)C)cc1C(=O)N1C[C@@H]([NH3+])C[C@H]1C(=O)[O-] ZINC000082138806 192360361 /nfs/dbraw/zinc/36/03/61/192360361.db2.gz VFGCHIQWHDWJMS-GWCFXTLKSA-N 0 0 308.382 0.728 50 0 DCAARN CN(C)C(=O)c1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1 ZINC000008071760 190630430 /nfs/dbraw/zinc/63/04/30/190630430.db2.gz BTZZXYGISUJOKY-UHFFFAOYSA-N 0 0 300.318 0.734 50 0 DCAARN Cc1ccc(O[C@@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)nn1 ZINC000225459792 201713108 /nfs/dbraw/zinc/71/31/08/201713108.db2.gz ASGMMGCCXYTVAM-LLVKDONJSA-N 0 0 315.333 0.552 50 0 DCAARN COc1ccc(OCC(=O)N2CC[C@]3(CC(=O)NC3=O)C2)cc1 ZINC000082145648 192361707 /nfs/dbraw/zinc/36/17/07/192361707.db2.gz UKVOCZLXTRDXQZ-INIZCTEOSA-N 0 0 318.329 0.339 50 0 DCAARN Cc1ccc2ncc(C(=O)N3CCc4cncnc4C3)c(=O)n2c1 ZINC000095396040 185352634 /nfs/dbraw/zinc/35/26/34/185352634.db2.gz UZMMQDXTYZLZOZ-UHFFFAOYSA-N 0 0 321.340 0.991 50 0 DCAARN Nc1n[nH]c(SCC(=O)Nc2nonc2-n2cccc2)n1 ZINC000012360571 190636104 /nfs/dbraw/zinc/63/61/04/190636104.db2.gz OSESTHZTLOIFHO-UHFFFAOYSA-N 0 0 306.311 0.291 50 0 DCAARN Cc1cccc2nc(CNC(=O)[C@H]3CN(C)CCO3)n(C)c21 ZINC000095429879 185362900 /nfs/dbraw/zinc/36/29/00/185362900.db2.gz WVGGEZIDPQGUTH-CYBMUJFWSA-N 0 0 302.378 0.829 50 0 DCAARN CN(Cc1ccccc1)C[C@@H](O)Cn1ccnc1S(C)(=O)=O ZINC000095438711 185365617 /nfs/dbraw/zinc/36/56/17/185365617.db2.gz OAULYRQAMGUYGU-CQSZACIVSA-N 0 0 323.418 0.780 50 0 DCAARN Cn1cnn(CC(=O)NC[C@H](O)c2ccc(Cl)s2)c1=O ZINC000095457386 185370293 /nfs/dbraw/zinc/37/02/93/185370293.db2.gz GYGXFAGPRHOZTG-ZETCQYMHSA-N 0 0 316.770 0.147 50 0 DCAARN O=C1NCCCC[C@H]1NS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000095458810 185370507 /nfs/dbraw/zinc/37/05/07/185370507.db2.gz BOTHGBFXJIAQDN-CYBMUJFWSA-N 0 0 324.402 0.959 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cnc(OCC2CC2)cn1 ZINC000286645889 219100778 /nfs/dbraw/zinc/10/07/78/219100778.db2.gz CLZILSHCJIGMHF-KOLCDFICSA-N 0 0 308.313 0.303 50 0 DCAARN O=C(Cn1cn[nH]c1=O)Nc1cccc(N2CCOC2=O)c1 ZINC000095469368 185372262 /nfs/dbraw/zinc/37/22/62/185372262.db2.gz CTKZAANAMAOILG-UHFFFAOYSA-N 0 0 303.278 0.167 50 0 DCAARN CC(C)(C)c1nc(N2CCC[C@@H](NS(C)(=O)=O)C2)no1 ZINC000097103067 185409930 /nfs/dbraw/zinc/40/99/30/185409930.db2.gz FLQDNEADXABELN-SECBINFHSA-N 0 0 302.400 0.885 50 0 DCAARN Cc1cnn(CCNC(=O)N2CCCN(C(=O)C3CC3)CC2)c1 ZINC000097102927 185409962 /nfs/dbraw/zinc/40/99/62/185409962.db2.gz INYCSPMKXKLXNI-UHFFFAOYSA-N 0 0 319.409 0.845 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CC(C)(C)O)cn1 ZINC000297350724 530028854 /nfs/dbraw/zinc/02/88/54/530028854.db2.gz YFODDAUTHYGSGG-SECBINFHSA-N 0 0 315.395 0.269 50 0 DCAARN Cn1cc(CC(=O)N[C@@H]2C[C@H](O)[C@H](CO)C2)c2ccccc21 ZINC000107286292 185474264 /nfs/dbraw/zinc/47/42/64/185474264.db2.gz DWANSIOHSGWLFP-XEZPLFJOSA-N 0 0 302.374 0.969 50 0 DCAARN Cc1nc(CN(C)C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)no1 ZINC000181805648 199354596 /nfs/dbraw/zinc/35/45/96/199354596.db2.gz GBELSYGQCWKYEW-MRVPVSSYSA-N 0 0 320.271 0.747 50 0 DCAARN C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181986523 199372228 /nfs/dbraw/zinc/37/22/28/199372228.db2.gz PGAOMABGVLUDIP-ZETCQYMHSA-N 0 0 323.296 0.609 50 0 DCAARN O=C(NCc1ccco1)C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000070958779 190926083 /nfs/dbraw/zinc/92/60/83/190926083.db2.gz JGGSGWCBENOFHT-ZDUSSCGKSA-N 0 0 302.330 0.616 50 0 DCAARN CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]1c1cccc(F)c1F ZINC000083613587 192375756 /nfs/dbraw/zinc/37/57/56/192375756.db2.gz GDFINXVOAHELGV-WPRPVWTQSA-N 0 0 304.318 0.486 50 0 DCAARN CNS(=O)(=O)CC(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000083600741 192375804 /nfs/dbraw/zinc/37/58/04/192375804.db2.gz HIQILXOBCOHCAU-UHFFFAOYSA-N 0 0 309.391 0.950 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)COCC(F)(F)F)CCO2)[nH]1 ZINC000083829904 192384819 /nfs/dbraw/zinc/38/48/19/192384819.db2.gz QXLGRMSQSPGFQW-QMMMGPOBSA-N 0 0 322.287 0.846 50 0 DCAARN COC(=O)C(C)(C)NC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000084139933 192405610 /nfs/dbraw/zinc/40/56/10/192405610.db2.gz HSYFGQZWYXUFFG-UHFFFAOYSA-N 0 0 313.375 0.913 50 0 DCAARN Cc1ccc(Cl)cc1C(=O)N[C@H]1C[C@H]2C(=O)NCC(=O)N2C1 ZINC000071749890 191022512 /nfs/dbraw/zinc/02/25/12/191022512.db2.gz GARLOLDIANREOW-JQWIXIFHSA-N 0 0 321.764 0.478 50 0 DCAARN COc1ccc(CN2CCN(C(=O)Cn3cncn3)CC2)cc1 ZINC000071853611 191032371 /nfs/dbraw/zinc/03/23/71/191032371.db2.gz WPZFYFWJNLDSKL-UHFFFAOYSA-N 0 0 315.377 0.631 50 0 DCAARN O=C(CN1CCO[C@H](Cn2cncn2)C1)NC(C1CC1)C1CC1 ZINC000084618646 192448106 /nfs/dbraw/zinc/44/81/06/192448106.db2.gz RBPZNGGUNMNFMM-AWEZNQCLSA-N 0 0 319.409 0.284 50 0 DCAARN Cc1cccc2nc(C(=O)N3CC[C@H](CO)[C@H](O)C3)c(F)n21 ZINC000072154906 191058836 /nfs/dbraw/zinc/05/88/36/191058836.db2.gz NGVCSYDJRUVMMQ-GHMZBOCLSA-N 0 0 307.325 0.597 50 0 DCAARN O=C(c1ccn2nnnc2c1)N1CCC[C@@]2(CNC(=O)O2)CC1 ZINC000072158706 191060460 /nfs/dbraw/zinc/06/04/60/191060460.db2.gz BABCIWKVXFDMFW-AWEZNQCLSA-N 0 0 316.321 0.229 50 0 DCAARN CCN([C@H]1COC[C@@H]1O)S(=O)(=O)NCc1ccccc1 ZINC000072162687 191063885 /nfs/dbraw/zinc/06/38/85/191063885.db2.gz LRAKTYSJXLAWDH-STQMWFEESA-N 0 0 300.380 0.103 50 0 DCAARN CCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1 ZINC000072166059 191065566 /nfs/dbraw/zinc/06/55/66/191065566.db2.gz NTCUHAFBKNOFBB-AWEZNQCLSA-N 0 0 319.405 0.830 50 0 DCAARN COc1ccc(CC(=O)N2CC[C@H](CO)[C@H](O)C2)c(OC)c1 ZINC000072170351 191067613 /nfs/dbraw/zinc/06/76/13/191067613.db2.gz QZLVQDRXZJMYRX-TZMCWYRMSA-N 0 0 309.362 0.448 50 0 DCAARN O=C(NCCN1CCOCC1)[C@H]1CCC(=O)N1Cc1ccco1 ZINC000072239619 191083265 /nfs/dbraw/zinc/08/32/65/191083265.db2.gz LSDRXAUWFABLKP-CQSZACIVSA-N 0 0 321.377 0.219 50 0 DCAARN CN1C(=O)CO[C@@H](C(=O)NCCCO)[C@@H]1c1cccc(F)c1 ZINC000072241745 191085020 /nfs/dbraw/zinc/08/50/20/191085020.db2.gz XXSPPEVCEZCFFH-UONOGXRCSA-N 0 0 310.325 0.223 50 0 DCAARN Cc1nc(C)n(C[C@@H]2CN(Cc3cnc(C)cn3)CCO2)n1 ZINC000072253541 191087828 /nfs/dbraw/zinc/08/78/28/191087828.db2.gz JDKDXXQKZCULHQ-HNNXBMFYSA-N 0 0 302.382 0.894 50 0 DCAARN Cc1nc([C@H]2CCCN2CCCS(=O)(=O)N(C)C)no1 ZINC000072255169 191088394 /nfs/dbraw/zinc/08/83/94/191088394.db2.gz QZXYNAJPXHLCLQ-LLVKDONJSA-N 0 0 302.400 0.796 50 0 DCAARN CCOC(=O)[C@H](C)NC(=O)COc1ccc(CC(N)=O)cc1 ZINC000072274527 191097270 /nfs/dbraw/zinc/09/72/70/191097270.db2.gz FVNQNRNJOUFNIX-JTQLQIEISA-N 0 0 308.334 0.161 50 0 DCAARN CCN1CN(C(=O)c2ccccc2S[C@H](C)C(N)=O)CC1=O ZINC000253392985 186303583 /nfs/dbraw/zinc/30/35/83/186303583.db2.gz PEICISXVQKBLTD-SNVBAGLBSA-N 0 0 321.402 0.914 50 0 DCAARN O=C1CO[C@@H]2CCN(Cc3ncnn3-c3ccccc3)C[C@H]2N1 ZINC000253396737 186305379 /nfs/dbraw/zinc/30/53/79/186305379.db2.gz AXYCLZXPBSSYGR-ZIAGYGMSSA-N 0 0 313.361 0.357 50 0 DCAARN CSc1cccc(N2C[C@H](C(=O)Nc3nn[nH]n3)CC2=O)c1 ZINC000253408995 186308742 /nfs/dbraw/zinc/30/87/42/186308742.db2.gz LHKUKSKJSOVNOK-MRVPVSSYSA-N 0 0 318.362 0.913 50 0 DCAARN CC(C)Oc1ccc2nnc(CCC(=O)N3CCOCC3)n2n1 ZINC000072403687 191151660 /nfs/dbraw/zinc/15/16/60/191151660.db2.gz FDTSSILOEXSQER-UHFFFAOYSA-N 0 0 319.365 0.703 50 0 DCAARN Cc1ccn(-c2ccc(NCCNC(=O)[C@@H]3CCCO3)nn2)n1 ZINC000072446700 191168901 /nfs/dbraw/zinc/16/89/01/191168901.db2.gz UCGPMKQUCVLBGR-LBPRGKRZSA-N 0 0 316.365 0.678 50 0 DCAARN C[C@@H](C(=O)NC(N)=O)N(C)Cc1nccn1Cc1ccccc1 ZINC000072774323 191227947 /nfs/dbraw/zinc/22/79/47/191227947.db2.gz VMVURHKXEACDHR-LBPRGKRZSA-N 0 0 315.377 0.947 50 0 DCAARN O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCc1cccnc1 ZINC000000424162 180785006 /nfs/dbraw/zinc/78/50/06/180785006.db2.gz LXRCHKGENZJPOC-UHFFFAOYSA-N 0 0 324.340 0.791 50 0 DCAARN Cn1c2nc(N)n(Cc3ccccc3Cl)c2c(=O)[nH]c1=O ZINC000000828011 180835960 /nfs/dbraw/zinc/83/59/60/180835960.db2.gz QXPPDUKXOXRVOC-UHFFFAOYSA-N 0 0 305.725 0.707 50 0 DCAARN CCS(=O)(=O)NCc1ccc(C(=O)N2CC(C)(O)C2)cc1 ZINC000332011962 234383417 /nfs/dbraw/zinc/38/34/17/234383417.db2.gz SZYXTDQZSYDMTR-UHFFFAOYSA-N 0 0 312.391 0.333 50 0 DCAARN CCOC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000002981337 180973424 /nfs/dbraw/zinc/97/34/24/180973424.db2.gz FIDOUMGCTZRFSK-UHFFFAOYSA-N 0 0 300.336 0.486 50 0 DCAARN O=C(CCNC(=O)c1ccc2c(c1)OCO2)NC[C@@H]1CCCO1 ZINC000003017986 180977482 /nfs/dbraw/zinc/97/74/82/180977482.db2.gz JUWYGCIAILFBSK-LBPRGKRZSA-N 0 0 320.345 0.830 50 0 DCAARN C[C@@H]1CN(C(=O)COC(=O)c2ccc(O)cc2O)C[C@H](C)O1 ZINC000003417914 181017159 /nfs/dbraw/zinc/01/71/59/181017159.db2.gz LZWWFWJHOLVALU-AOOOYVTPSA-N 0 0 309.318 0.890 50 0 DCAARN CNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O ZINC000003461282 181023652 /nfs/dbraw/zinc/02/36/52/181023652.db2.gz ZBHAGZPAYOHGBC-OAHLLOKOSA-N 0 0 318.333 0.218 50 0 DCAARN CCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C ZINC000003518458 181029136 /nfs/dbraw/zinc/02/91/36/181029136.db2.gz LEDRCDWUCHAOGD-UHFFFAOYSA-N 0 0 320.374 0.871 50 0 DCAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O ZINC000004186524 181083001 /nfs/dbraw/zinc/08/30/01/181083001.db2.gz JPAAZAPKEWXXBK-LBPRGKRZSA-N 0 0 321.377 0.724 50 0 DCAARN COC(=O)Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O ZINC000004266846 181089833 /nfs/dbraw/zinc/08/98/33/181089833.db2.gz YVPAPMOCNPATEF-UHFFFAOYSA-N 0 0 319.708 0.804 50 0 DCAARN C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000004337609 181099392 /nfs/dbraw/zinc/09/93/92/181099392.db2.gz ZCIRFVWGGMMUKC-JTQLQIEISA-N 0 0 323.374 0.124 50 0 DCAARN O=C(COC(=O)C[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1 ZINC000004392827 181106561 /nfs/dbraw/zinc/10/65/61/181106561.db2.gz ZGGDICLBPRAQLS-NSHDSACASA-N 0 0 311.359 0.993 50 0 DCAARN Cc1c(Cl)cccc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O ZINC000004495770 181115309 /nfs/dbraw/zinc/11/53/09/181115309.db2.gz ZWKHUCHZQKDMFJ-UHFFFAOYSA-N 0 0 315.738 0.826 50 0 DCAARN COc1ccc(OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004504778 181117074 /nfs/dbraw/zinc/11/70/74/181117074.db2.gz GGLCKKHXWAVUPW-LLVKDONJSA-N 0 0 313.375 0.720 50 0 DCAARN NC(=O)C1CCN(C(=S)NCc2ccc3c(c2)OCO3)CC1 ZINC000004574548 181126288 /nfs/dbraw/zinc/12/62/88/181126288.db2.gz GZHPZIVORGWFLM-UHFFFAOYSA-N 0 0 321.402 0.987 50 0 DCAARN Cc1cc(-n2cnnn2)cc(C)c1S(=O)(=O)N1CCOCC1 ZINC000004727381 181142856 /nfs/dbraw/zinc/14/28/56/181142856.db2.gz HPVQGZIUOLVSNC-UHFFFAOYSA-N 0 0 323.378 0.300 50 0 DCAARN COC(=O)CCNC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000004763769 181149537 /nfs/dbraw/zinc/14/95/37/181149537.db2.gz MUJDHVQEMUBIHD-NSHDSACASA-N 0 0 308.334 0.981 50 0 DCAARN O=C(NC1CC1)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000004742622 181146171 /nfs/dbraw/zinc/14/61/71/181146171.db2.gz PFIIXYGNZMOAHO-UHFFFAOYSA-N 0 0 307.331 0.936 50 0 DCAARN CC(C)NC(=O)N[C@@H]1[C@@H](NC(=O)NC(C)C)N(C)C(=O)N1C ZINC000004802747 181153387 /nfs/dbraw/zinc/15/33/87/181153387.db2.gz QADUZHOMNVUIAR-UWVGGRQHSA-N 0 0 314.390 0.051 50 0 DCAARN CC(=O)Nc1ccc(S(=O)(=O)NN2CCN(C)CC2)cc1 ZINC000004854928 181163985 /nfs/dbraw/zinc/16/39/85/181163985.db2.gz REJQHTFIZVYSRW-UHFFFAOYSA-N 0 0 312.395 0.086 50 0 DCAARN Cc1cc(C(F)(F)F)nn1CC(=O)NN1CCN(C)CC1 ZINC000004907235 181171826 /nfs/dbraw/zinc/17/18/26/181171826.db2.gz ILVAVFGARYBYFB-UHFFFAOYSA-N 0 0 305.304 0.489 50 0 DCAARN CC(C)N1C[C@H](C(=O)N2CCC(n3cnnc3)CC2)CC1=O ZINC000077520739 191730680 /nfs/dbraw/zinc/73/06/80/191730680.db2.gz IBSIODBWKLKXBQ-GFCCVEGCSA-N 0 0 305.382 0.699 50 0 DCAARN CN1CCN(NC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000005123265 181206267 /nfs/dbraw/zinc/20/62/67/181206267.db2.gz GNJSHXFTYFDFGW-CYBMUJFWSA-N 0 0 317.393 0.254 50 0 DCAARN CN1C[C@@H](Nc2cnn(C)c(=O)c2Br)CCC1=O ZINC000077992452 191805221 /nfs/dbraw/zinc/80/52/21/191805221.db2.gz JHYHRRKCSPSHPU-ZETCQYMHSA-N 0 0 315.171 0.576 50 0 DCAARN CC(C)NC(=O)NCc1ccc(C(=O)O[C@H](C)C(N)=O)cc1 ZINC000005562291 181257830 /nfs/dbraw/zinc/25/78/30/181257830.db2.gz ZZDLSSUBLNWLHP-SNVBAGLBSA-N 0 0 307.350 0.925 50 0 DCAARN NS(=O)(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000080786874 192190774 /nfs/dbraw/zinc/19/07/74/192190774.db2.gz RVXLBUZDZXZNIV-UHFFFAOYSA-N 0 0 311.407 0.261 50 0 DCAARN C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000058311234 299252150 /nfs/dbraw/zinc/25/21/50/299252150.db2.gz XMUOSFFOIQUWFL-QWRGUYRKSA-N 0 0 323.418 0.994 50 0 DCAARN Cc1cc(F)cc(S(=O)(=O)N[C@@H](C)CS(C)(=O)=O)c1 ZINC000179301918 199011862 /nfs/dbraw/zinc/01/18/62/199011862.db2.gz LHSAOIXKXDTOPQ-VIFPVBQESA-N 0 0 309.384 0.846 50 0 DCAARN C[C@@H](CNC(=O)N[C@@H](C)C(=O)N1CCCC1)N1CCOCC1 ZINC000070018881 295958976 /nfs/dbraw/zinc/95/89/76/295958976.db2.gz VGZXUBOQIBZBAD-STQMWFEESA-N 0 0 312.414 0.017 50 0 DCAARN COC(=O)Cn1cc(CNC(=O)/C=C\c2cccc(F)c2)nn1 ZINC000098059595 291171998 /nfs/dbraw/zinc/17/19/98/291171998.db2.gz XGKFRWJXSBPETH-WAYWQWQTSA-N 0 0 318.308 0.920 50 0 DCAARN Cc1noc(C)c1CN1CCN(C(=O)c2nccnc2N)CC1 ZINC000089529360 192810667 /nfs/dbraw/zinc/81/06/67/192810667.db2.gz POHPPSPYCLIYGK-UHFFFAOYSA-N 0 0 316.365 0.622 50 0 DCAARN COC(=O)[C@@H](NC(=O)[C@H]1CSC(C)(C)N1C=O)C(C)C ZINC000005381456 291263696 /nfs/dbraw/zinc/26/36/96/291263696.db2.gz REFMFAGRJQJXGJ-ZJUUUORDSA-N 0 0 302.396 0.610 50 0 biogenic DCAARN Cn1cc([C@@H](Nc2cncc(C(N)=O)n2)[C@H]2C[C@H](O)C2)cn1 ZINC000244719001 202492002 /nfs/dbraw/zinc/49/20/02/202492002.db2.gz LUVJBLJHQXHKTC-FWDPORAESA-N 0 0 302.338 0.233 50 0 DCAARN CCCCOC(=O)C1=C(C)N[C@@]2(O)c3ccccc3C(=O)[C@]12O ZINC000006507085 181347588 /nfs/dbraw/zinc/34/75/88/181347588.db2.gz MIQWYWWCDGGBGC-IAGOWNOFSA-N 0 0 317.341 0.980 50 0 DCAARN O=C(Nc1ncccc1O)c1cc(N2CCOCC2)ncn1 ZINC000245131294 202511071 /nfs/dbraw/zinc/51/10/71/202511071.db2.gz VNQRHMWRJORCSA-UHFFFAOYSA-N 0 0 301.306 0.666 50 0 DCAARN Cn1nc(C(=O)N2CCC(C(N)=O)CC2)c2ccccc2c1=O ZINC000006560599 181354925 /nfs/dbraw/zinc/35/49/25/181354925.db2.gz MTWCNUIJYJLCCK-UHFFFAOYSA-N 0 0 314.345 0.271 50 0 DCAARN CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ncc[nH]1)C2 ZINC000091288824 193031970 /nfs/dbraw/zinc/03/19/70/193031970.db2.gz GPGFSAUGVBDKSL-VXGBXAGGSA-N 0 0 313.427 0.112 50 0 DCAARN CCc1nc(C)sc1CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC000091417009 193052729 /nfs/dbraw/zinc/05/27/29/193052729.db2.gz MFMMNMMALAWYDG-SECBINFHSA-N 0 0 310.379 0.618 50 0 DCAARN CC[C@H](C(=O)NCCn1c(C)cc(C)nc1=O)n1cccn1 ZINC000091425923 193053668 /nfs/dbraw/zinc/05/36/68/193053668.db2.gz YEPMYSPAZYHLPT-CYBMUJFWSA-N 0 0 303.366 0.824 50 0 DCAARN CN(C[C@H](O)CO)C(=O)c1coc(COc2cccc(F)c2)n1 ZINC000091526713 193069749 /nfs/dbraw/zinc/06/97/49/193069749.db2.gz NSHYYPONRZWHJJ-NSHDSACASA-N 0 0 324.308 0.818 50 0 DCAARN COc1cccc2c1OC[C@H](C(=O)NCCc1ncnn1C)C2 ZINC000091536565 193070568 /nfs/dbraw/zinc/07/05/68/193070568.db2.gz YOXQSQDKJRRHTL-GFCCVEGCSA-N 0 0 316.361 0.734 50 0 DCAARN Cn1nnnc1SCCn1cc(-c2ccc(CO)o2)nn1 ZINC000091562677 193073394 /nfs/dbraw/zinc/07/33/94/193073394.db2.gz LWRAZPURDWVKBA-UHFFFAOYSA-N 0 0 307.339 0.346 50 0 DCAARN CNC(=O)CN1C[C@H](NC(=O)Cc2cccnc2)[C@@H](C2CC2)C1 ZINC000091595530 193078192 /nfs/dbraw/zinc/07/81/92/193078192.db2.gz BJUMOGDUVWYKRC-CABCVRRESA-N 0 0 316.405 0.197 50 0 DCAARN O=C(NCCN1CCNC1=O)c1cc(-c2ccccc2F)n[nH]1 ZINC000091504108 193066097 /nfs/dbraw/zinc/06/60/97/193066097.db2.gz WOYNVPFJCGEOAI-UHFFFAOYSA-N 0 0 317.324 0.971 50 0 DCAARN CC(C)Cn1cncc1CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000091678842 193089866 /nfs/dbraw/zinc/08/98/66/193089866.db2.gz WQWVFZJOFRYOIO-NSHDSACASA-N 0 0 307.354 0.144 50 0 DCAARN CC1(C)CN(c2cncc(C(=O)N3CCOCC3)n2)C[C@]1(C)O ZINC000091695448 193093013 /nfs/dbraw/zinc/09/30/13/193093013.db2.gz JACSMLNIZIOFQI-INIZCTEOSA-N 0 0 320.393 0.546 50 0 DCAARN CN1CCN(C(=O)c2ccon2)C[C@]12CCC(=O)N(C)CC2 ZINC000091694233 193093332 /nfs/dbraw/zinc/09/33/32/193093332.db2.gz ULVGPYXSFXVEKZ-OAHLLOKOSA-N 0 0 306.366 0.443 50 0 DCAARN CN(C)C(=O)CC[C@H]1CCCN(C(=O)CCc2nncn2C)C1 ZINC000091636716 193082323 /nfs/dbraw/zinc/08/23/23/193082323.db2.gz CDOMHVGVDRJKJS-CYBMUJFWSA-N 0 0 321.425 0.855 50 0 DCAARN CN(C)S(=O)(=O)N1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 ZINC000091793397 193109104 /nfs/dbraw/zinc/10/91/04/193109104.db2.gz YJZNYYBIJZYJQR-LBPRGKRZSA-N 0 0 311.407 0.456 50 0 DCAARN C[C@@H]1CN(C(=O)c2coc(CN3CCOCC3)c2)C[C@]1(C)O ZINC000091830281 193113969 /nfs/dbraw/zinc/11/39/69/193113969.db2.gz FRYWGGSZGXEIPU-WBMJQRKESA-N 0 0 308.378 0.955 50 0 DCAARN CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1c[nH]cn1)C2 ZINC000092019822 193143066 /nfs/dbraw/zinc/14/30/66/193143066.db2.gz WZJIIQMAFFQWDO-DGCLKSJQSA-N 0 0 313.427 0.112 50 0 DCAARN Cc1noc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)n1 ZINC000091914968 193125835 /nfs/dbraw/zinc/12/58/35/193125835.db2.gz INHAOPBMYZISQQ-UHFFFAOYSA-N 0 0 322.409 0.965 50 0 DCAARN CN(C)C(=O)CCNc1ncnc2ccc(S(C)(=O)=O)cc21 ZINC000252494624 202849700 /nfs/dbraw/zinc/84/97/00/202849700.db2.gz OAKFDQKJQRMGTO-UHFFFAOYSA-N 0 0 322.390 0.924 50 0 DCAARN NC(=O)CCCCNS(=O)(=O)c1cccc2nsnc21 ZINC000253431430 202888389 /nfs/dbraw/zinc/88/83/89/202888389.db2.gz VUHUDNWJTAQWDB-UHFFFAOYSA-N 0 0 314.392 0.625 50 0 DCAARN Cn1nccc1C(=O)NCCn1c(=O)[nH]c2ccsc2c1=O ZINC000253534966 202894886 /nfs/dbraw/zinc/89/48/86/202894886.db2.gz RQFRLAMWCNSRLO-UHFFFAOYSA-N 0 0 319.346 0.327 50 0 DCAARN COc1ccccc1CCC(=O)OCc1nc(N)nc(N)n1 ZINC000007184359 181444536 /nfs/dbraw/zinc/44/45/36/181444536.db2.gz NWQBZSOQWFTOLQ-UHFFFAOYSA-N 0 0 303.322 0.721 50 0 DCAARN COC(=O)C[C@@H]1Oc2ccccc2N(CCn2cnnc2)C1=O ZINC000095358620 193429407 /nfs/dbraw/zinc/42/94/07/193429407.db2.gz OTSFCXRCMPIUGR-ZDUSSCGKSA-N 0 0 316.317 0.635 50 0 DCAARN O=C(N[C@@H]1C=CS(=O)(=O)C1)C1CCN(Cc2ccco2)CC1 ZINC000095363928 193432848 /nfs/dbraw/zinc/43/28/48/193432848.db2.gz UGRFQZPYDICCFP-CYBMUJFWSA-N 0 0 324.402 0.919 50 0 DCAARN Cc1cc(CN2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)on1 ZINC000095954188 193457210 /nfs/dbraw/zinc/45/72/10/193457210.db2.gz KJPHIJMPJJXJAI-UHFFFAOYSA-N 0 0 316.361 0.640 50 0 DCAARN COCCC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000096005273 193487147 /nfs/dbraw/zinc/48/71/47/193487147.db2.gz LKFJHGMABUWPJW-ZDUSSCGKSA-N 0 0 318.439 0.876 50 0 DCAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCSC2=O)cc1 ZINC000008716876 181577689 /nfs/dbraw/zinc/57/76/89/181577689.db2.gz GMFDUHKZZUUUTA-LLVKDONJSA-N 0 0 314.388 0.955 50 0 DCAARN O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000009533342 181628593 /nfs/dbraw/zinc/62/85/93/181628593.db2.gz HIDGFHJHYDXZRS-LLVKDONJSA-N 0 0 322.386 0.952 50 0 DCAARN NS(=O)(=O)c1ccc(CCNc2ncnc3n[nH]cc32)cc1 ZINC000011856475 181712025 /nfs/dbraw/zinc/71/20/25/181712025.db2.gz GWGCHMDWVXNVFS-UHFFFAOYSA-N 0 0 318.362 0.655 50 0 DCAARN COC(=O)CC(=Nc1ccc(OC)cc1OC)C(=O)NCCO ZINC000012324270 181750741 /nfs/dbraw/zinc/75/07/41/181750741.db2.gz QDSSGCSORSIUTD-FMIVXFBMSA-N 0 0 324.333 0.281 50 0 DCAARN CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000012390406 181756130 /nfs/dbraw/zinc/75/61/30/181756130.db2.gz DXHPOKWKGMLNNB-CQSZACIVSA-N 0 0 315.373 0.730 50 0 DCAARN NC(=O)CSc1ccccc1NCC(=O)NC(=O)NC1CC1 ZINC000012545997 181774596 /nfs/dbraw/zinc/77/45/96/181774596.db2.gz LAWXWJZKBMVWFX-UHFFFAOYSA-N 0 0 322.390 0.664 50 0 DCAARN COCCNC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000012651924 181785553 /nfs/dbraw/zinc/78/55/53/181785553.db2.gz LLNJVEDQWQAAGF-UHFFFAOYSA-N 0 0 321.377 0.889 50 0 DCAARN COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H]1C(N)=O ZINC000012934289 181813467 /nfs/dbraw/zinc/81/34/67/181813467.db2.gz JWLSEXWRMHYYCG-SSDOTTSWSA-N 0 0 318.376 0.173 50 0 DCAARN CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccn1 ZINC000013689700 181880494 /nfs/dbraw/zinc/88/04/94/181880494.db2.gz NWINNXQQZXGNQV-UHFFFAOYSA-N 0 0 312.329 0.696 50 0 DCAARN C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1c[nH]c2ncccc12 ZINC000274753778 211899505 /nfs/dbraw/zinc/89/95/05/211899505.db2.gz LZZIBMMWIDUIHL-HOGDKLEQSA-N 0 0 315.420 0.950 50 0 DCAARN CS(=O)(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000014119733 181927405 /nfs/dbraw/zinc/92/74/05/181927405.db2.gz BHJAQEZXPRNJCQ-UHFFFAOYSA-N 0 0 315.370 0.341 50 0 DCAARN C[C@H](C(=O)NC(N)=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000014199828 181936710 /nfs/dbraw/zinc/93/67/10/181936710.db2.gz NABHHXCSGXTENP-LLVKDONJSA-N 0 0 304.350 0.028 50 0 DCAARN COC(=O)CNC[C@@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000015071091 181986596 /nfs/dbraw/zinc/98/65/96/181986596.db2.gz NMWGSPUAFLNWFV-INIZCTEOSA-N 0 0 312.410 0.683 50 0 DCAARN CCN(CC)c1ccc2nnc(CCC(=O)NCCOC)n2n1 ZINC000015678806 182012416 /nfs/dbraw/zinc/01/24/16/182012416.db2.gz UAHPTRKEKTXBDG-UHFFFAOYSA-N 0 0 320.397 0.666 50 0 DCAARN NC(=O)c1ccc(COC(=O)CNC(=O)c2ccco2)cc1 ZINC000016763815 182060173 /nfs/dbraw/zinc/06/01/73/182060173.db2.gz FNPOWGXQPVCWOZ-UHFFFAOYSA-N 0 0 302.286 0.852 50 0 DCAARN COc1cccc(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c1 ZINC000016915580 182064208 /nfs/dbraw/zinc/06/42/08/182064208.db2.gz ZIZLXTNOELUWSS-UHFFFAOYSA-N 0 0 317.345 0.852 50 0 DCAARN CN(C)C(=O)CN1CCN(Cc2nc(CC3CC3)no2)CC1 ZINC000019226893 182108057 /nfs/dbraw/zinc/10/80/57/182108057.db2.gz UEPYTSXNYNBCEX-UHFFFAOYSA-N 0 0 307.398 0.228 50 0 DCAARN OCCN1CCN(C[C@@H](O)COc2ccc3c(c2)CCC3)CC1 ZINC000019957969 182170245 /nfs/dbraw/zinc/17/02/45/182170245.db2.gz NMLCHPNWMKTBSH-QGZVFWFLSA-N 0 0 320.433 0.525 50 0 DCAARN OCCN1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000020131857 182190654 /nfs/dbraw/zinc/19/06/54/182190654.db2.gz BOHLQZDZORVFNM-UHFFFAOYSA-N 0 0 324.388 0.930 50 0 DCAARN CC(=O)N1CCN(Cc2nc(-c3ccncc3)no2)C[C@@H](O)C1 ZINC000097674097 193745320 /nfs/dbraw/zinc/74/53/20/193745320.db2.gz KSJQPROPFJXYKA-CYBMUJFWSA-N 0 0 317.349 0.157 50 0 DCAARN CCCNC(=O)Cn1ncn2nc(-c3ccco3)cc2c1=O ZINC000020901262 182252862 /nfs/dbraw/zinc/25/28/62/182252862.db2.gz RDXRJJFDHUYFPQ-UHFFFAOYSA-N 0 0 301.306 0.677 50 0 DCAARN O=C(c1ccno1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000020907562 182253646 /nfs/dbraw/zinc/25/36/46/182253646.db2.gz PKJLSHJZAVZQFS-UHFFFAOYSA-N 0 0 321.358 0.821 50 0 DCAARN COC(=O)CNC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccnc1 ZINC000020762245 182246592 /nfs/dbraw/zinc/24/65/92/182246592.db2.gz KEQVSWXJJLGNEV-AWEZNQCLSA-N 0 0 315.333 0.635 50 0 biogenic DCAARN COCCNC(=O)c1cnc2sc(N3CCCC3)nn2c1=O ZINC000020987466 182257667 /nfs/dbraw/zinc/25/76/67/182257667.db2.gz DAEDBQSZAXLMTP-UHFFFAOYSA-N 0 0 323.378 0.127 50 0 DCAARN O=C(CCn1nnc2ccccc2c1=O)Nc1nncs1 ZINC000021215259 182269442 /nfs/dbraw/zinc/26/94/42/182269442.db2.gz HGOFNCMIULPFFU-UHFFFAOYSA-N 0 0 302.319 0.672 50 0 DCAARN CC(=O)N1CCN(Cc2nn3c(nc(C)cc3=O)s2)CC1 ZINC000021670716 182283320 /nfs/dbraw/zinc/28/33/20/182283320.db2.gz TYQRVGQSOJEDDJ-UHFFFAOYSA-N 0 0 307.379 0.124 50 0 DCAARN CN(C)c1nc(N)nc(COC(=O)c2cc(Cl)cn2C)n1 ZINC000022003297 182302972 /nfs/dbraw/zinc/30/29/72/182302972.db2.gz TYLGWKMYAPCYGL-UHFFFAOYSA-N 0 0 310.745 0.869 50 0 DCAARN Cn1c2ccccc2n(CC(=O)N2CCCCC2)c(=O)c1=O ZINC000021943719 182299856 /nfs/dbraw/zinc/29/98/56/182299856.db2.gz OTJPICXYKYOGHA-UHFFFAOYSA-N 0 0 301.346 0.713 50 0 DCAARN COc1ccccc1-c1noc(CN2CCN(CCO)CC2)n1 ZINC000022943242 182343716 /nfs/dbraw/zinc/34/37/16/182343716.db2.gz ZERRICFQIBKWIM-UHFFFAOYSA-N 0 0 318.377 0.855 50 0 DCAARN Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)OCCO ZINC000022988201 182344152 /nfs/dbraw/zinc/34/41/52/182344152.db2.gz FGNCSXKXLZEJFU-UHFFFAOYSA-N 0 0 301.364 0.831 50 0 DCAARN CC(C)C[C@H](CNC(=O)c1nccnc1N)N1CCOCC1 ZINC000022970634 182344205 /nfs/dbraw/zinc/34/42/05/182344205.db2.gz UJOYJFISUYZMOU-GFCCVEGCSA-N 0 0 307.398 0.536 50 0 DCAARN COc1ccccc1NC(=O)C[C@@H](C(=O)[O-])[NH+]1CCN(C)CC1 ZINC000022788904 182334842 /nfs/dbraw/zinc/33/48/42/182334842.db2.gz YXFYMBOSHSRVJE-ZDUSSCGKSA-N 0 0 321.377 0.724 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(-n2cccn2)cc1 ZINC000024586944 182384834 /nfs/dbraw/zinc/38/48/34/182384834.db2.gz UYMIGUWXKYGMLL-UHFFFAOYSA-N 0 0 311.301 0.361 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCCN(C(C)=O)CC2)cc1 ZINC000024710446 182388224 /nfs/dbraw/zinc/38/82/24/182388224.db2.gz DBZOQKCNDKUWJS-UHFFFAOYSA-N 0 0 312.391 0.938 50 0 DCAARN COC(=O)c1nnn(C[C@@H](O)c2cccc(OC)c2)c1CO ZINC000098211152 193792294 /nfs/dbraw/zinc/79/22/94/193792294.db2.gz GDNLBXBTLUIAIZ-GFCCVEGCSA-N 0 0 307.306 0.299 50 0 DCAARN NC(=O)[C@H]1CC(C(=O)NCc2ccccn2)=NN1c1ccccc1 ZINC000029435509 182565135 /nfs/dbraw/zinc/56/51/35/182565135.db2.gz HZKREMZLEYODJN-OAHLLOKOSA-N 0 0 323.356 0.818 50 0 DCAARN Cc1nc2ccccc2c(=O)n1CCC(=O)N1CCNC(=O)C1 ZINC000029760255 182576742 /nfs/dbraw/zinc/57/67/42/182576742.db2.gz WIUSLMUAQPCQHO-UHFFFAOYSA-N 0 0 314.345 0.053 50 0 DCAARN O=C(CNc1ccc(-n2cnnn2)cc1)NCC(F)(F)F ZINC000029940834 182580530 /nfs/dbraw/zinc/58/05/30/182580530.db2.gz NTNGNEBCDMBPTC-UHFFFAOYSA-N 0 0 300.244 0.753 50 0 DCAARN CNC(=O)NC(=O)CCn1c2ccccc2nc1S(C)(=O)=O ZINC000031766222 182622931 /nfs/dbraw/zinc/62/29/31/182622931.db2.gz LDPYOQIHRIIDCE-UHFFFAOYSA-N 0 0 324.362 0.286 50 0 DCAARN C[C@H](C(N)=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000036338967 182817302 /nfs/dbraw/zinc/81/73/02/182817302.db2.gz PVBHCMVDGWZJSV-SNVBAGLBSA-N 0 0 315.370 0.006 50 0 DCAARN Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000040287742 183052331 /nfs/dbraw/zinc/05/23/31/183052331.db2.gz SPTRWYLJNDKROI-UHFFFAOYSA-N 0 0 318.381 0.642 50 0 DCAARN Cc1nc(NC(=O)CCCC(=O)N2CCNC(=O)C2)sc1C ZINC000040267568 183049820 /nfs/dbraw/zinc/04/98/20/183049820.db2.gz XUOHJNFBYAWSBZ-UHFFFAOYSA-N 0 0 324.406 0.827 50 0 DCAARN CCOc1ccccc1NCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000040461251 183070562 /nfs/dbraw/zinc/07/05/62/183070562.db2.gz ZAIKTPUTIWGUSP-LLVKDONJSA-N 0 0 312.391 0.801 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cccnc1N1CCCC1 ZINC000040468066 183073684 /nfs/dbraw/zinc/07/36/84/183073684.db2.gz WNSSKNGXPPXPEG-NSHDSACASA-N 0 0 309.391 0.599 50 0 DCAARN COc1cccc(C(N)=O)c1OCC(=O)N1CCO[C@@H](C)C1 ZINC000040479592 183076563 /nfs/dbraw/zinc/07/65/63/183076563.db2.gz RLQHFAAIWXIRQH-JTQLQIEISA-N 0 0 308.334 0.420 50 0 DCAARN CN(C(=O)c1cn(-c2ccccc2)nn1)[C@H]1CCS(=O)(=O)C1 ZINC000040508790 183086015 /nfs/dbraw/zinc/08/60/15/183086015.db2.gz RQVPEJNBRULQPR-LBPRGKRZSA-N 0 0 320.374 0.526 50 0 DCAARN Cc1c(C(=O)NN2CC(=O)NC2=O)cnn1-c1ccc(F)cc1 ZINC000040511928 183087348 /nfs/dbraw/zinc/08/73/48/183087348.db2.gz RPWDTQAFSVARCO-UHFFFAOYSA-N 0 0 317.280 0.516 50 0 DCAARN CC[C@@H]1CN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CCO1 ZINC000040511338 183087513 /nfs/dbraw/zinc/08/75/13/183087513.db2.gz ICFFUFYQPROALX-LLVKDONJSA-N 0 0 312.391 0.893 50 0 DCAARN CC[C@](C)(CNC(=O)C1=NN(C)C(=O)CC1)N1CCOCC1 ZINC000040515332 183088599 /nfs/dbraw/zinc/08/85/99/183088599.db2.gz RJPCDUMOKGSKTP-OAHLLOKOSA-N 0 0 310.398 0.212 50 0 DCAARN C[C@H](c1ccccc1F)N(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000040514090 183088648 /nfs/dbraw/zinc/08/86/48/183088648.db2.gz RNDSOFDVRPDCSM-LLVKDONJSA-N 0 0 319.336 0.906 50 0 DCAARN Cn1cc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)cn1 ZINC000040528186 183093133 /nfs/dbraw/zinc/09/31/33/183093133.db2.gz YZZLQQLWJHDWNP-UHFFFAOYSA-N 0 0 309.347 0.670 50 0 DCAARN O=C1NCCCC[C@@H]1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000040527178 183093265 /nfs/dbraw/zinc/09/32/65/183093265.db2.gz FBBBOOWDZVBNDN-NSHDSACASA-N 0 0 304.318 0.912 50 0 DCAARN C[C@H](CN1CCOCC1)NS(=O)(=O)N1CCCCCC1 ZINC000040528174 183093640 /nfs/dbraw/zinc/09/36/40/183093640.db2.gz DUYOXDSOVRCMMF-CYBMUJFWSA-N 0 0 305.444 0.418 50 0 DCAARN O=C(Cc1cc2ccccc2[nH]c1=O)N[C@H]1CCS(=O)(=O)C1 ZINC000040535423 183095110 /nfs/dbraw/zinc/09/51/10/183095110.db2.gz NEHFYJNNJOECCK-LBPRGKRZSA-N 0 0 320.370 0.374 50 0 DCAARN C[C@H](C(=O)NCc1ccc(Cn2cncn2)cc1)S(C)(=O)=O ZINC000040540290 183097429 /nfs/dbraw/zinc/09/74/29/183097429.db2.gz PMWKOJITHQOMOE-LLVKDONJSA-N 0 0 322.390 0.376 50 0 DCAARN CCN1C[C@@H](C(=O)NCCOc2ccc3c(c2)OCO3)CC1=O ZINC000040541403 183097879 /nfs/dbraw/zinc/09/78/79/183097879.db2.gz DWBUUCZSFIDZIG-NSHDSACASA-N 0 0 320.345 0.779 50 0 DCAARN Cn1c2ncn(C[C@H](O)c3cccc(F)c3)c2c(=O)n(C)c1=O ZINC000040555426 183101712 /nfs/dbraw/zinc/10/17/12/183101712.db2.gz YNRWGQWVJMQDRR-NSHDSACASA-N 0 0 318.308 0.306 50 0 DCAARN Cc1nn(C)c2cnn([C@@H](C)C(=O)NCC(=O)N3CCCC3)c12 ZINC000040714959 183122340 /nfs/dbraw/zinc/12/23/40/183122340.db2.gz VIHTYFRDEHQQCE-NSHDSACASA-N 0 0 318.381 0.378 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000041132200 183171112 /nfs/dbraw/zinc/17/11/12/183171112.db2.gz PTTPRFRXEBNUAY-SECBINFHSA-N 0 0 317.267 0.970 50 0 DCAARN Cn1c2ccccc2n(CCC(=O)NC[C@@H]2CCOC2)c1=O ZINC000041370032 183187511 /nfs/dbraw/zinc/18/75/11/183187511.db2.gz XPXQKNPFAMYJAY-LBPRGKRZSA-N 0 0 303.362 0.883 50 0 DCAARN O=C(NCCS(=O)(=O)Cc1ccccc1)c1ccc[nH]c1=O ZINC000041656931 183213312 /nfs/dbraw/zinc/21/33/12/183213312.db2.gz GIKJEYJSGCHDJC-UHFFFAOYSA-N 0 0 320.370 0.720 50 0 DCAARN C[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000042536250 183281676 /nfs/dbraw/zinc/28/16/76/183281676.db2.gz ASXWVLPQBPUIDP-VXGBXAGGSA-N 0 0 314.411 0.059 50 0 DCAARN C[C@@H](Cc1ccco1)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000042381852 183261458 /nfs/dbraw/zinc/26/14/58/183261458.db2.gz OKFUAFKIWLOVQR-NSHDSACASA-N 0 0 314.407 0.998 50 0 DCAARN C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CCO1 ZINC000042627908 183291870 /nfs/dbraw/zinc/29/18/70/183291870.db2.gz URZDHBXBWFSZOO-VIFPVBQESA-N 0 0 312.347 0.427 50 0 DCAARN CCN(CC(=O)N(C)C)C(=O)CCNC(=O)c1cccs1 ZINC000042718172 183301546 /nfs/dbraw/zinc/30/15/46/183301546.db2.gz KUYQUWXYXNGXFP-UHFFFAOYSA-N 0 0 311.407 0.805 50 0 DCAARN NC(=O)N1CCC(C(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000042726461 183302803 /nfs/dbraw/zinc/30/28/03/183302803.db2.gz OREAHIGLGRCGFZ-CYBMUJFWSA-N 0 0 303.362 0.897 50 0 DCAARN C[C@@H](OCC(F)(F)F)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000042882190 183316666 /nfs/dbraw/zinc/31/66/66/183316666.db2.gz PVIKUVKEMCUBPK-SFYZADRCSA-N 0 0 303.302 0.599 50 0 DCAARN O=C(CN1CCC(O)CC1)NCCc1ccc2c(c1)OCCO2 ZINC000044889290 183447363 /nfs/dbraw/zinc/44/73/63/183447363.db2.gz ZXBWITYNSMDCCR-UHFFFAOYSA-N 0 0 320.389 0.573 50 0 DCAARN CC(C)CN1C[C@H](C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000045897824 183535419 /nfs/dbraw/zinc/53/54/19/183535419.db2.gz JEMKBSIEHSPCHA-NWDGAFQWSA-N 0 0 316.423 0.042 50 0 DCAARN CN1CCN2CCN(Cc3cccc4nsnc43)C[C@H]2C1=O ZINC000106270440 194192573 /nfs/dbraw/zinc/19/25/73/194192573.db2.gz MQKROCYFVRWPFW-ZDUSSCGKSA-N 0 0 317.418 0.650 50 0 DCAARN CC(=O)NCC1CCN(C(=O)Cn2nnc3ccccc32)CC1 ZINC000048234446 183629843 /nfs/dbraw/zinc/62/98/43/183629843.db2.gz YGZDEDCWKXGHDL-UHFFFAOYSA-N 0 0 315.377 0.806 50 0 DCAARN O=C(c1noc2c1CCCC2)N1CCC2(CC1)NC(=O)NC2=O ZINC000056400602 184012308 /nfs/dbraw/zinc/01/23/08/184012308.db2.gz HKIJSBNCBUBUPH-UHFFFAOYSA-N 0 0 318.333 0.368 50 0 DCAARN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NC(C(N)=O)C(N)=O ZINC000056405797 184012485 /nfs/dbraw/zinc/01/24/85/184012485.db2.gz OTUZZQWGIPWXND-SNVBAGLBSA-N 0 0 321.377 0.341 50 0 DCAARN CS(=O)(=O)c1ccc(NC(=O)NC[C@@H]2COCCO2)cc1 ZINC000056557903 184015607 /nfs/dbraw/zinc/01/56/07/184015607.db2.gz ICUUOFHHXSTAAX-LLVKDONJSA-N 0 0 314.363 0.627 50 0 DCAARN Cc1ccc2nnc(C(=O)NCCN3CCOCC3)nc2c1 ZINC000057279288 184031553 /nfs/dbraw/zinc/03/15/53/184031553.db2.gz OUQYJMHEBRTBLR-UHFFFAOYSA-N 0 0 301.350 0.395 50 0 DCAARN CN(C)C(=O)Cn1cc(C(=O)NCCC2=CCCCC2)nn1 ZINC000056969038 184022632 /nfs/dbraw/zinc/02/26/32/184022632.db2.gz DQPGMPZYCWHENK-UHFFFAOYSA-N 0 0 305.382 0.987 50 0 DCAARN O=C(c1cccc(O)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000057380826 184036762 /nfs/dbraw/zinc/03/67/62/184036762.db2.gz SYZFNSJVXGCARC-AWEZNQCLSA-N 0 0 304.346 0.856 50 0 DCAARN COc1ccc(C)cc1NC(=O)CNc1ccn(CC(N)=O)n1 ZINC000058161420 184082948 /nfs/dbraw/zinc/08/29/48/184082948.db2.gz UBXZQFXOVDAGGM-UHFFFAOYSA-N 0 0 317.349 0.736 50 0 DCAARN CCCCS(=O)(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000058390948 184111144 /nfs/dbraw/zinc/11/11/44/184111144.db2.gz KYSGNWBJYOXOEO-ZDUSSCGKSA-N 0 0 319.471 0.649 50 0 DCAARN Cn1cc(S(=O)(=O)N[C@](C)(C(N)=O)c2ccccc2)cn1 ZINC000058265991 184096612 /nfs/dbraw/zinc/09/66/12/184096612.db2.gz WFGMINUNNKHMER-ZDUSSCGKSA-N 0 0 308.363 0.099 50 0 DCAARN CCc1ccc(O)c(C(=O)N2CCN(CC(=O)N(C)C)CC2)c1 ZINC000058280904 184099116 /nfs/dbraw/zinc/09/91/16/184099116.db2.gz LAYSOSUNLMPCBH-UHFFFAOYSA-N 0 0 319.405 0.801 50 0 DCAARN CN1CCO[C@H](CNC(=O)COCCOc2ccccc2)C1 ZINC000058314709 184104150 /nfs/dbraw/zinc/10/41/50/184104150.db2.gz ZXHIEQQBCVLIEL-OAHLLOKOSA-N 0 0 308.378 0.529 50 0 DCAARN Cc1ccc(C(=O)C(=O)NC2CCN(CC(N)=O)CC2)cc1 ZINC000058407690 184114409 /nfs/dbraw/zinc/11/44/09/184114409.db2.gz QJXCPLLJNIQDCU-UHFFFAOYSA-N 0 0 303.362 0.244 50 0 DCAARN O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NC1CC1 ZINC000058412986 184114790 /nfs/dbraw/zinc/11/47/90/184114790.db2.gz OHEAAFUCRSMNAY-OAHLLOKOSA-N 0 0 313.357 0.741 50 0 DCAARN NS(=O)(=O)c1cnn(CC(=O)NC2CCCCCC2)c1 ZINC000060295036 184146074 /nfs/dbraw/zinc/14/60/74/184146074.db2.gz QQSFOJNCNDSKTC-UHFFFAOYSA-N 0 0 300.384 0.370 50 0 DCAARN CC(C)n1ncc2cc(NC(=O)N3CCNC(=O)C3)cnc21 ZINC000061353780 184168848 /nfs/dbraw/zinc/16/88/48/184168848.db2.gz XZYXZAJFGGPRNE-UHFFFAOYSA-N 0 0 302.338 0.976 50 0 DCAARN COCCCNS(=O)(=O)c1cc(C(=O)OC)n(C)c1C ZINC000064923106 184306085 /nfs/dbraw/zinc/30/60/85/184306085.db2.gz MEALBGUGIUZPNR-UHFFFAOYSA-N 0 0 304.368 0.435 50 0 DCAARN CCCn1c(=O)c2nscc2n(CC(=O)N2CCCC2)c1=O ZINC000065185010 184314008 /nfs/dbraw/zinc/31/40/08/184314008.db2.gz RSSUMSOSXODOGM-UHFFFAOYSA-N 0 0 322.390 0.652 50 0 DCAARN O=C(N[C@H]1CCN(c2ncnc3c2CCC3)C1)c1cnccn1 ZINC000065288164 184322901 /nfs/dbraw/zinc/32/29/01/184322901.db2.gz NPYHYMTXEDAUEC-NSHDSACASA-N 0 0 310.361 0.764 50 0 DCAARN CCN(CC)c1ncnc2c1cnn2CC(=O)NCCCOC ZINC000065295941 184323755 /nfs/dbraw/zinc/32/37/55/184323755.db2.gz TWOUPHUPDGZMNW-UHFFFAOYSA-N 0 0 320.397 0.825 50 0 DCAARN NS(=O)(=O)c1ccc(CNC(=O)NCc2cc[nH]n2)cc1 ZINC000065439762 184345670 /nfs/dbraw/zinc/34/56/70/184345670.db2.gz LGGXTVIQYSPEJZ-UHFFFAOYSA-N 0 0 309.351 0.057 50 0 DCAARN COCCCNC(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000065447699 184346092 /nfs/dbraw/zinc/34/60/92/184346092.db2.gz QYYZDCAOFOIGOC-NSHDSACASA-N 0 0 307.416 0.136 50 0 DCAARN COCCCNC(=O)CN(C)c1ncnc2c1CN(C)CC2 ZINC000065478822 184352509 /nfs/dbraw/zinc/35/25/09/184352509.db2.gz JHAZBZGQWBYYND-UHFFFAOYSA-N 0 0 307.398 0.053 50 0 DCAARN CC[C@@H](CO)NC(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000065479745 184352720 /nfs/dbraw/zinc/35/27/20/184352720.db2.gz UTRHQEJUKTVPMY-GXTWGEPZSA-N 0 0 317.455 0.264 50 0 DCAARN Cc1[nH+]c(N(C)C)nc(NCCn2[n-]c(=O)ccc2=O)c1C ZINC000065529679 184361325 /nfs/dbraw/zinc/36/13/25/184361325.db2.gz DKKFXDKDMDLSJX-UHFFFAOYSA-N 0 0 304.354 0.534 50 0 DCAARN CC(C)C[C@@H](C)N(C)C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000065553271 184365232 /nfs/dbraw/zinc/36/52/32/184365232.db2.gz KMNNEIQOLMFNMV-LLVKDONJSA-N 0 0 316.427 0.814 50 0 DCAARN Cc1nn(C)c(Cl)c1C(=O)NCCc1nnc2n1CCC2 ZINC000065553405 184365739 /nfs/dbraw/zinc/36/57/39/184365739.db2.gz FPGJVNMXPZJPJM-UHFFFAOYSA-N 0 0 308.773 0.892 50 0 DCAARN Cn1cc(C(=O)N2CCN(Cc3ccco3)CC2)ccc1=O ZINC000065575552 184367744 /nfs/dbraw/zinc/36/77/44/184367744.db2.gz DGUNXGLCWNJKLB-UHFFFAOYSA-N 0 0 301.346 0.936 50 0 DCAARN CC[C@H](C(N)=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000065577804 184368367 /nfs/dbraw/zinc/36/83/67/184368367.db2.gz YICDEUYMLMKGTO-CQSZACIVSA-N 0 0 319.405 0.839 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NC[C@@H]1CCOC1 ZINC000065586884 184369324 /nfs/dbraw/zinc/36/93/24/184369324.db2.gz QEKOYGPHBWSDPR-NWDGAFQWSA-N 0 0 319.427 0.136 50 0 DCAARN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000065516814 184358530 /nfs/dbraw/zinc/35/85/30/184358530.db2.gz LOUDNTMDTKBLHW-GXTWGEPZSA-N 0 0 323.393 0.481 50 0 DCAARN NC(=O)c1cnc2n1CCN(C(=O)CCc1ccccc1O)C2 ZINC000067473090 184469056 /nfs/dbraw/zinc/46/90/56/184469056.db2.gz RFAZOMLAZAFWOQ-UHFFFAOYSA-N 0 0 314.345 0.663 50 0 DCAARN Cc1cc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)nn1C(C)(C)C ZINC000069518207 184522009 /nfs/dbraw/zinc/52/20/09/184522009.db2.gz OZUIYPGAVFHXFQ-GFCCVEGCSA-N 0 0 318.377 0.966 50 0 DCAARN COCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000096181738 285070500 /nfs/dbraw/zinc/07/05/00/285070500.db2.gz MDHLHQZMYOXDJB-UONOGXRCSA-N 0 0 310.325 0.487 50 0 DCAARN CC1(C)COc2c1cccc2C(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000286495519 219018701 /nfs/dbraw/zinc/01/87/01/219018701.db2.gz MWNTZROQTUQCHV-INIZCTEOSA-N 0 0 304.346 0.419 50 0 DCAARN O=c1c2nnc3ncnn3c2ccn1-c1ccc2c(c1)OCO2 ZINC000072452257 285215632 /nfs/dbraw/zinc/21/56/32/285215632.db2.gz PRZAZVKYDWCCQG-UHFFFAOYSA-N 0 0 308.257 0.552 50 0 DCAARN O=C1CCC(=O)N1C1CN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000225695170 256597146 /nfs/dbraw/zinc/59/71/46/256597146.db2.gz OBMMRYHLOTXSCG-CMDGGOBGSA-N 0 0 320.370 0.820 50 0 DCAARN O[C@@H]1CO[C@H](Nc2ccc(Br)cc2)[C@@H](O)[C@H]1O ZINC000239433334 256601711 /nfs/dbraw/zinc/60/17/11/256601711.db2.gz XNRPWNFGHKJOMI-RCWTZXSCSA-N 0 0 304.140 0.300 50 0 DCAARN O=C(Cn1ccc(=O)c2ccccc21)NCCN1CCNC1=O ZINC000244678770 256605554 /nfs/dbraw/zinc/60/55/54/256605554.db2.gz IJTPZFRWJDUWFG-UHFFFAOYSA-N 0 0 314.345 0.143 50 0 DCAARN COCCc1nnc(SCCN2C[C@H](C)O[C@@H](C)C2)n1N ZINC000521395175 257241177 /nfs/dbraw/zinc/24/11/77/257241177.db2.gz UEKIAJNJXFJYER-QWRGUYRKSA-N 0 0 315.443 0.382 50 0 DCAARN CCOC(=O)[C@]1(F)CN(C(=O)[C@@H]2CCCOC2)CC12COC2 ZINC000521394386 257241543 /nfs/dbraw/zinc/24/15/43/257241543.db2.gz YAYQRFWNHIUDPT-IAQYHMDHSA-N 0 0 315.341 0.543 50 0 DCAARN Cn1nnnc1SCCNC(=O)c1onc2c1CCCC2 ZINC000426730415 257243707 /nfs/dbraw/zinc/24/37/07/257243707.db2.gz NGDBVMOWQLHDCE-UHFFFAOYSA-N 0 0 308.367 0.599 50 0 DCAARN Cc1cc(C(=O)N2CCC[C@](O)(CO)CC2)c(=O)n(C)c1C ZINC000426739152 257243842 /nfs/dbraw/zinc/24/38/42/257243842.db2.gz ZHFYHGGFRJMOEP-MRXNPFEDSA-N 0 0 308.378 0.352 50 0 DCAARN Cc1nnsc1CNC(=O)Cn1cnc2ccsc2c1=O ZINC000426677824 257244657 /nfs/dbraw/zinc/24/46/57/257244657.db2.gz CWNZGVRTUJVDFJ-UHFFFAOYSA-N 0 0 321.387 0.934 50 0 DCAARN CCCn1cnnc1CNC(=O)c1nnc2nc(C)ccn21 ZINC000426599513 257244814 /nfs/dbraw/zinc/24/48/14/257244814.db2.gz GDRXRQFIFXQVSV-UHFFFAOYSA-N 0 0 300.326 0.364 50 0 DCAARN C[NH2+]Cc1nnc(SCc2cc(=O)n3nc(C)[n-]c3n2)n1C ZINC000426627678 257245298 /nfs/dbraw/zinc/24/52/98/257245298.db2.gz LEHTXHMKXGCPKV-UHFFFAOYSA-N 0 0 320.382 0.279 50 0 DCAARN C[C@H](Cn1cncn1)NC(=O)NCC(=O)Nc1nccs1 ZINC000426593700 257245821 /nfs/dbraw/zinc/24/58/21/257245821.db2.gz KSANUEMIOPWZKM-MRVPVSSYSA-N 0 0 309.355 0.061 50 0 DCAARN OCCNc1nc(NCC(F)(F)F)cc([C@H]2CCOC2)n1 ZINC000426546267 257246960 /nfs/dbraw/zinc/24/69/60/257246960.db2.gz VZBCHUSOISHDIW-QMMMGPOBSA-N 0 0 306.288 0.203 50 0 DCAARN CCn1ncnc1[C@H](NC(=O)Cn1ccccc1=O)C1CC1 ZINC000426436811 257250138 /nfs/dbraw/zinc/25/01/38/257250138.db2.gz XFXHOMYRQXXTAL-CQSZACIVSA-N 0 0 301.350 0.727 50 0 DCAARN COc1cc(C(=O)[O-])cc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000426399199 257251170 /nfs/dbraw/zinc/25/11/70/257251170.db2.gz KDGZEVKZROBPCO-STQMWFEESA-N 0 0 308.334 0.140 50 0 DCAARN Cc1nonc1OCCNC(=O)c1ccccc1-n1cnnc1 ZINC000426404252 257251583 /nfs/dbraw/zinc/25/15/83/257251583.db2.gz NKFWUGILMFLOGD-UHFFFAOYSA-N 0 0 314.305 0.768 50 0 DCAARN CN(Cc1ncon1)C(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC000426397311 257252235 /nfs/dbraw/zinc/25/22/35/257252235.db2.gz AQXQQBTTZJWYOQ-UHFFFAOYSA-N 0 0 302.290 0.697 50 0 DCAARN CNC(=O)c1[nH]nc2c1CN(C(=O)[C@H](C)n1cccc1)CC2 ZINC000426374428 257252795 /nfs/dbraw/zinc/25/27/95/257252795.db2.gz SZKRGTPWECMXQT-JTQLQIEISA-N 0 0 301.350 0.717 50 0 DCAARN O=C(NCCOCCO)Nc1cc(-n2cnnc2)ccc1F ZINC000426379591 257253380 /nfs/dbraw/zinc/25/33/80/257253380.db2.gz BKTBMIXVFATATM-UHFFFAOYSA-N 0 0 309.301 0.537 50 0 DCAARN CCOC(=O)C[C@H]1CCCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC000072408358 257270788 /nfs/dbraw/zinc/27/07/88/257270788.db2.gz UQAVJYDQVHCVHG-SECBINFHSA-N 0 0 309.322 0.423 50 0 DCAARN CCCN(C)S(=O)(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000120949753 195269424 /nfs/dbraw/zinc/26/94/24/195269424.db2.gz IFDIYSYELFYQCQ-LBPRGKRZSA-N 0 0 315.443 0.565 50 0 DCAARN NC(=O)[C@H](CNC(=O)c1cnccn1)Cc1ccc(F)cc1 ZINC000071826893 184857344 /nfs/dbraw/zinc/85/73/44/184857344.db2.gz IQVHFJVVGFHFPA-NSHDSACASA-N 0 0 302.309 0.690 50 0 DCAARN CN(C)c1cc2c(nn1)CCN(C(=O)C1=NN(C)C(=O)CC1)C2 ZINC000071860197 184873104 /nfs/dbraw/zinc/87/31/04/184873104.db2.gz RIPVRXCZQWCERB-UHFFFAOYSA-N 0 0 316.365 0.036 50 0 DCAARN COc1cc(C)nc(N2CCN(C(=O)Cn3cccn3)CC2)n1 ZINC000069630334 184829082 /nfs/dbraw/zinc/82/90/82/184829082.db2.gz QFUPZQYBIYPCGA-UHFFFAOYSA-N 0 0 316.365 0.339 50 0 DCAARN CC(C)CN1CCO[C@@H](CNS(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000069700478 184838274 /nfs/dbraw/zinc/83/82/74/184838274.db2.gz OCRJMGAGSXRBDS-KGLIPLIRSA-N 0 0 320.455 0.299 50 0 DCAARN O=S1(=O)C[C@H]2[C@@H](C1)NC(=S)N2Cc1ccc(F)cc1 ZINC000009485502 296493604 /nfs/dbraw/zinc/49/36/04/296493604.db2.gz OQNXOTBWPVUGAS-MNOVXSKESA-N 0 0 300.380 0.681 50 0 DCAARN O=C(CCCn1cncn1)N1CCN(c2ncccn2)CC1 ZINC000054055619 134771684 /nfs/dbraw/zinc/77/16/84/134771684.db2.gz QDLJKKIOXCAPCF-UHFFFAOYSA-N 0 0 301.354 0.197 50 0 DCAARN O=C(CN1CCN(c2ncccn2)CC1)NCc1ccco1 ZINC000055051887 134774880 /nfs/dbraw/zinc/77/48/80/134774880.db2.gz HQFIOJUVEKTTHR-UHFFFAOYSA-N 0 0 301.350 0.508 50 0 DCAARN CN1CCN(C(=O)C[C@@H]2Sc3ncccc3N(C)C2=O)CC1 ZINC000065171800 134817609 /nfs/dbraw/zinc/81/76/09/134817609.db2.gz SOXKWNOQKNNUDM-LBPRGKRZSA-N 0 0 320.418 0.683 50 0 DCAARN O=C(CSc1nnc(C2CC2)o1)N[C@H]1CCS(=O)(=O)C1 ZINC000008245312 395684279 /nfs/dbraw/zinc/68/42/79/395684279.db2.gz SOVVTFWNVGUXIA-QMMMGPOBSA-N 0 0 317.392 0.342 50 0 DCAARN Cc1cc(NC(=O)CSc2nc3n[nH]cc3c(=O)[nH]2)no1 ZINC000008556496 395684794 /nfs/dbraw/zinc/68/47/94/395684794.db2.gz ZZJNJTSDGKHJRL-UHFFFAOYSA-N 0 0 306.307 0.673 50 0 DCAARN CCOC(=O)c1ncn2c1nnn(-c1ccc(OC)cc1)c2=O ZINC000008695118 395684950 /nfs/dbraw/zinc/68/49/50/395684950.db2.gz PUTYJJRCVPSRIS-UHFFFAOYSA-N 0 0 315.289 0.461 50 0 DCAARN COCCN1CC2=C(C1=O)[C@@H](c1ccc(O)cc1)NC(=O)N2 ZINC000008878136 395685086 /nfs/dbraw/zinc/68/50/86/395685086.db2.gz CTSDLDZFRIZACQ-CYBMUJFWSA-N 0 0 303.318 0.489 50 0 DCAARN COCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC000009227673 395685150 /nfs/dbraw/zinc/68/51/50/395685150.db2.gz VYQGHFQJSOPNJU-LLVKDONJSA-N 0 0 300.380 0.424 50 0 DCAARN CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1NCCO ZINC000009162711 395685157 /nfs/dbraw/zinc/68/51/57/395685157.db2.gz JTSQJWQDQWUFIP-SNVBAGLBSA-N 0 0 323.349 0.482 50 0 DCAARN COc1ccc(CNC(=O)CN2C(=O)N[C@H](C(C)C)C2=O)cc1 ZINC000009315174 395685296 /nfs/dbraw/zinc/68/52/96/395685296.db2.gz HYNQLRJJIFYQGK-CQSZACIVSA-N 0 0 319.361 0.888 50 0 DCAARN CCOC(=O)CCNC(=O)NCc1nnnn1-c1ccccc1 ZINC000009615637 395685385 /nfs/dbraw/zinc/68/53/85/395685385.db2.gz LCUYQQQWWLYXIH-UHFFFAOYSA-N 0 0 318.337 0.415 50 0 DCAARN COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)NCCc1ccccc1 ZINC000009483650 395685439 /nfs/dbraw/zinc/68/54/39/395685439.db2.gz IIYJIGSUNJRTFU-CYBMUJFWSA-N 0 0 316.357 0.928 50 0 DCAARN COc1ccc(C)cc1CN(C)CC(=O)NCCNC(C)=O ZINC000011439702 395686542 /nfs/dbraw/zinc/68/65/42/395686542.db2.gz DXMRCHWHJSFTLH-UHFFFAOYSA-N 0 0 307.394 0.688 50 0 DCAARN COc1ccc(NC(=O)CCn2ccc(=O)[nH]c2=O)c(OC)c1 ZINC000011905159 395686918 /nfs/dbraw/zinc/68/69/18/395686918.db2.gz CIKANNQVLZLDRV-UHFFFAOYSA-N 0 0 319.317 0.583 50 0 DCAARN CC[C@@H](C(=O)N1CCOCC1)n1c(=O)[nH]c2ccccc2c1=O ZINC000011867247 395686971 /nfs/dbraw/zinc/68/69/71/395686971.db2.gz VYDDHNKLDGXMCK-ZDUSSCGKSA-N 0 0 317.345 0.500 50 0 DCAARN O=c1cccnn1CCNS(=O)(=O)CCc1ccccc1 ZINC000011856396 395687022 /nfs/dbraw/zinc/68/70/22/395687022.db2.gz QEUQPTOGDHELGW-UHFFFAOYSA-N 0 0 307.375 0.405 50 0 DCAARN CCCS(=O)(=O)N1CCN(c2cc(OC)nc(C)n2)CC1 ZINC000012224462 395687229 /nfs/dbraw/zinc/68/72/29/395687229.db2.gz BAIFXUDYGPFPMZ-UHFFFAOYSA-N 0 0 314.411 0.655 50 0 DCAARN CN(C)c1ncc2c(n1)CCC[C@@H]2NC(=O)Cn1cncn1 ZINC000012193003 395687280 /nfs/dbraw/zinc/68/72/80/395687280.db2.gz FFPXVUCTVBOFFW-NSHDSACASA-N 0 0 301.354 0.328 50 0 DCAARN O=C(Cn1cccn1)N[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000012196047 395687291 /nfs/dbraw/zinc/68/72/91/395687291.db2.gz JTCKIZIGRLVEJJ-OAHLLOKOSA-N 0 0 312.373 0.843 50 0 DCAARN COC(CN1CC2=C(C1=O)[C@@H](c1ccccc1)NC(=O)N2)OC ZINC000012345423 395687403 /nfs/dbraw/zinc/68/74/03/395687403.db2.gz FFGQZTZAFOJGTF-CQSZACIVSA-N 0 0 317.345 0.756 50 0 DCAARN COC(=O)CC(=Nc1ccc(C(C)=O)cc1)C(=O)NCCO ZINC000012324340 395687501 /nfs/dbraw/zinc/68/75/01/395687501.db2.gz XVUZRSBKQVLWKL-LCYFTJDESA-N 0 0 306.318 0.467 50 0 DCAARN C/C=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOC ZINC000012647456 395687845 /nfs/dbraw/zinc/68/78/45/395687845.db2.gz ZAHZJQDWCFNMSU-SNAWJCMRSA-N 0 0 310.379 0.738 50 0 DCAARN COC(=O)c1cc(CNc2ccc3nnnn3n2)ccc1OC ZINC000012904168 395688110 /nfs/dbraw/zinc/68/81/10/395688110.db2.gz TYSNOYMPBPFHFW-UHFFFAOYSA-N 0 0 314.305 0.927 50 0 DCAARN C[C@@H]1NC(=S)N(C[C@H]2CN(Cc3ccccc3)CCO2)C1=O ZINC000012924535 395688230 /nfs/dbraw/zinc/68/82/30/395688230.db2.gz VLAOUUISLNZGAM-GXTWGEPZSA-N 0 0 319.430 0.993 50 0 DCAARN COCCN1C(=O)C(=C(C)Nc2ccccn2)C(=O)NC1=S ZINC000013150311 395688370 /nfs/dbraw/zinc/68/83/70/395688370.db2.gz BESIMGWVGOIXPY-LUAWRHEFSA-N 0 0 320.374 0.657 50 0 DCAARN O=C(C[C@@H]1C(=O)Nc2ncnn21)Nc1ccc2c(c1)OCO2 ZINC000013693532 395688865 /nfs/dbraw/zinc/68/88/65/395688865.db2.gz FRHYUAFTOMVWFE-MRVPVSSYSA-N 0 0 301.262 0.529 50 0 DCAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NC[C@@H]1CCCO1 ZINC000014115090 395689121 /nfs/dbraw/zinc/68/91/21/395689121.db2.gz FXDBEUKCPYESCK-LBPRGKRZSA-N 0 0 321.308 0.938 50 0 DCAARN c1ccc(-n2nnnc2CN2CCN(c3ncccn3)CC2)cc1 ZINC000014138078 395689262 /nfs/dbraw/zinc/68/92/62/395689262.db2.gz ATLDJKUXJOHKFW-UHFFFAOYSA-N 0 0 322.376 0.775 50 0 DCAARN CS(=O)(=O)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 ZINC000015062384 395689771 /nfs/dbraw/zinc/68/97/71/395689771.db2.gz OGISSXAWPBUBRW-CYBMUJFWSA-N 0 0 310.423 0.975 50 0 DCAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)N1CCCO1 ZINC000014977358 395689813 /nfs/dbraw/zinc/68/98/13/395689813.db2.gz TVMUIZMDNWABDI-CQSZACIVSA-N 0 0 321.352 0.680 50 0 DCAARN NS(=O)(=O)c1ccc(NC(=O)c2n[nH]cc2Cl)cc1 ZINC000017030617 395690725 /nfs/dbraw/zinc/69/07/25/395690725.db2.gz OAVXJODLUBWSNY-UHFFFAOYSA-N 0 0 300.727 0.963 50 0 DCAARN Cn1c2nc3n(c2c(=O)[nH]c1=O)CCC(=O)[C@@H]3Cc1ccccc1 ZINC000019799522 395691130 /nfs/dbraw/zinc/69/11/30/395691130.db2.gz PVDSRSWMNMZCDM-NSHDSACASA-N 0 0 324.340 0.722 50 0 DCAARN CCN(CC)S(=O)(=O)c1ccc(N2CCNC(=O)C2)nc1 ZINC000024096823 395692699 /nfs/dbraw/zinc/69/26/99/395692699.db2.gz SZEKVZITIIGQOJ-UHFFFAOYSA-N 0 0 312.395 0.048 50 0 DCAARN COCCNC(=O)NC(=O)CSc1ncc2ccccn21 ZINC000024502803 395692940 /nfs/dbraw/zinc/69/29/40/395692940.db2.gz NVILCFKLMNENNK-UHFFFAOYSA-N 0 0 308.363 0.899 50 0 DCAARN CCc1nnsc1C(=O)N1CCN(c2cnccn2)CC1 ZINC000025343892 395693529 /nfs/dbraw/zinc/69/35/29/395693529.db2.gz QUEPXWUMTUASLS-UHFFFAOYSA-N 0 0 304.379 0.853 50 0 DCAARN [NH2+]=C1NC([O-])=C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)S1 ZINC000000217468 395680055 /nfs/dbraw/zinc/68/00/55/395680055.db2.gz UUWJCSKRFRPWIR-JTQLQIEISA-N 0 0 307.331 0.743 50 0 DCAARN CCNc1nc(NC(C)(C)C)nc(N(C#N)CC(=O)OC)n1 ZINC000000209868 395680062 /nfs/dbraw/zinc/68/00/62/395680062.db2.gz UCCJMXKFEOSUJR-UHFFFAOYSA-N 0 0 307.358 0.974 50 0 DCAARN CCOC(=O)N1CCN(C(=S)NC(=O)c2cccnc2)CC1 ZINC000000271161 395680179 /nfs/dbraw/zinc/68/01/79/395680179.db2.gz LBXNGQYFOOMJCQ-UHFFFAOYSA-N 0 0 322.390 0.870 50 0 DCAARN O=c1[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc2[nH]c1=O ZINC000000423443 395680381 /nfs/dbraw/zinc/68/03/81/395680381.db2.gz FMVPWNHFXDTAOG-UHFFFAOYSA-N 0 0 323.374 0.781 50 0 DCAARN CS(=O)(=O)N(CC(=O)N1CCOCC1)Cc1ccccc1 ZINC000000468265 395680469 /nfs/dbraw/zinc/68/04/69/395680469.db2.gz YEBSOLNVYCEFOI-UHFFFAOYSA-N 0 0 312.391 0.307 50 0 DCAARN O=C(c1cccc(C(=O)N2CCOCC2)n1)N1CCOCC1 ZINC000000476719 395680477 /nfs/dbraw/zinc/68/04/77/395680477.db2.gz UTOKIKNOXYSYKN-UHFFFAOYSA-N 0 0 305.334 0.026 50 0 DCAARN CCN(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1 ZINC000001060031 395680630 /nfs/dbraw/zinc/68/06/30/395680630.db2.gz VRVICOUVVUFPOG-UHFFFAOYSA-N 0 0 321.196 0.945 50 0 DCAARN CCOC(=O)CNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 ZINC000001542824 395680928 /nfs/dbraw/zinc/68/09/28/395680928.db2.gz PJNSMUBMSNAEEN-CQSZACIVSA-N 0 0 318.373 0.899 50 0 DCAARN CN1C(=O)N[C@@](NC(=O)c2ccncc2)(C(F)(F)F)C1=O ZINC000002265167 395681379 /nfs/dbraw/zinc/68/13/79/395681379.db2.gz MKPDUYUPBFHKGJ-SNVBAGLBSA-N 0 0 302.212 0.456 50 0 DCAARN CCOc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000002711254 395681778 /nfs/dbraw/zinc/68/17/78/395681778.db2.gz MUBZRSYXUKYKOY-UHFFFAOYSA-N 0 0 303.318 0.735 50 0 DCAARN CCOC(=O)CNS(=O)(=O)c1c2nsnc2ccc1C ZINC000002852802 395681893 /nfs/dbraw/zinc/68/18/93/395681893.db2.gz MDYNPFBXIYHMNO-UHFFFAOYSA-N 0 0 315.376 0.841 50 0 DCAARN NC(=O)c1ccccc1NC(=O)CCCN1C(=O)CCC1=O ZINC000002866827 395681956 /nfs/dbraw/zinc/68/19/56/395681956.db2.gz PVILEHDJGVJUIV-UHFFFAOYSA-N 0 0 303.318 0.653 50 0 DCAARN COCCCNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000002872431 395681971 /nfs/dbraw/zinc/68/19/71/395681971.db2.gz LXZDMOJZWUUUBA-UHFFFAOYSA-N 0 0 312.391 0.775 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCOC)C1 ZINC000003008069 395682131 /nfs/dbraw/zinc/68/21/31/395682131.db2.gz SQPBWPULIBOYQU-GFCCVEGCSA-N 0 0 306.428 0.591 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000003007894 395682144 /nfs/dbraw/zinc/68/21/44/395682144.db2.gz TYICPZVACOFTOP-NWDGAFQWSA-N 0 0 304.412 0.343 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCC(OC)OC)C1 ZINC000003025855 395682284 /nfs/dbraw/zinc/68/22/84/395682284.db2.gz XPDQTFZWILVNRS-LLVKDONJSA-N 0 0 322.427 0.173 50 0 DCAARN CC1CCC2(CC1)NC(=O)N(Cc1nc(N)nc(N)n1)C2=O ZINC000007002669 395683176 /nfs/dbraw/zinc/68/31/76/395683176.db2.gz ZXGUYVCTOUTWSG-UHFFFAOYSA-N 0 0 305.342 0.037 50 0 DCAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)C)C2=O)cc1 ZINC000007986949 395683818 /nfs/dbraw/zinc/68/38/18/395683818.db2.gz RJUIJMNPTGIXJH-HNNXBMFYSA-N 0 0 305.334 0.550 50 0 DCAARN COc1ccc(CNC(=O)CN2CSCC2=O)cc1OC ZINC000008134098 395684094 /nfs/dbraw/zinc/68/40/94/395684094.db2.gz HXZXLKVREWZJLT-UHFFFAOYSA-N 0 0 310.375 0.853 50 0 DCAARN CC(C)NC(=O)CN1CCN(C[C@H](O)c2cccs2)CC1 ZINC000085436947 395700291 /nfs/dbraw/zinc/70/02/91/395700291.db2.gz COYMDFSREZRGAA-ZDUSSCGKSA-N 0 0 311.451 0.924 50 0 DCAARN COc1ccc(CNC(=O)N2CCN(C[C@H](C)O)CC2)cc1 ZINC000085466910 395700953 /nfs/dbraw/zinc/70/09/53/395700953.db2.gz LNKLGQAJDKQGEZ-ZDUSSCGKSA-N 0 0 307.394 0.903 50 0 DCAARN CN(CCCNS(=O)(=O)c1cccs1)S(C)(=O)=O ZINC000030430837 395702538 /nfs/dbraw/zinc/70/25/38/395702538.db2.gz LGQCDTVUZIOPBP-UHFFFAOYSA-N 0 0 312.438 0.308 50 0 DCAARN CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC)o2)CCO1 ZINC000030600679 395703628 /nfs/dbraw/zinc/70/36/28/395703628.db2.gz ZJXUJCGTBLJYFU-SECBINFHSA-N 0 0 302.352 0.439 50 0 DCAARN CN(Cc1cccc(Cl)c1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000030892232 395704863 /nfs/dbraw/zinc/70/48/63/395704863.db2.gz VZAHCNPCFKNCAW-UHFFFAOYSA-N 0 0 307.737 0.849 50 0 DCAARN C[C@H](O)CN1CC2=C(C1=O)[C@@H](c1ccc(O)cc1)NC(=O)N2C ZINC000036678970 395723903 /nfs/dbraw/zinc/72/39/03/395723903.db2.gz YFSXWBCDCBYPRM-LKFCYVNXSA-N 0 0 317.345 0.565 50 0 DCAARN CC1(C)NC(=O)N(CCn2nnc(-c3cccc(F)c3)n2)C1=O ZINC000031444620 395706706 /nfs/dbraw/zinc/70/67/06/395706706.db2.gz PBRRAIUBGLBCPA-UHFFFAOYSA-N 0 0 318.312 0.810 50 0 DCAARN Cc1cc(CN(C)CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)no1 ZINC000031656301 395707514 /nfs/dbraw/zinc/70/75/14/395707514.db2.gz NAJIWPYPRJSOEW-LBPRGKRZSA-N 0 0 315.395 0.060 50 0 DCAARN COC(=O)CNC(=O)N1CCN(CCc2ccncc2)CC1 ZINC000031811367 395708600 /nfs/dbraw/zinc/70/86/00/395708600.db2.gz KPCOQCZMWXFFHK-UHFFFAOYSA-N 0 0 306.366 0.124 50 0 DCAARN CCOC(=O)C(=O)NCCNC(=O)c1cc2ccccc2n1C ZINC000032102470 395709337 /nfs/dbraw/zinc/70/93/37/395709337.db2.gz ZLNVXUFZTGVLRT-UHFFFAOYSA-N 0 0 317.345 0.587 50 0 DCAARN O=C([C@@H]1CCCN(c2ccc3nncn3n2)C1)N1CCOCC1 ZINC000032106553 395709518 /nfs/dbraw/zinc/70/95/18/395709518.db2.gz QHUWDEPYGWCDRS-GFCCVEGCSA-N 0 0 316.365 0.200 50 0 DCAARN CCn1cc(S(=O)(=O)N[C@@H]2CCCCC23OCCO3)cn1 ZINC000089309904 395709925 /nfs/dbraw/zinc/70/99/25/395709925.db2.gz VCMDAXKKLUMVHY-GFCCVEGCSA-N 0 0 315.395 0.867 50 0 DCAARN CCc1nnc([C@@H]2CN(CCCS(C)(=O)=O)CCO2)[nH]1 ZINC000089289836 395710019 /nfs/dbraw/zinc/71/00/19/395710019.db2.gz FXKMUOHBPVYRCZ-JTQLQIEISA-N 0 0 302.400 0.175 50 0 DCAARN CN1C[C@@H](C(=O)NCc2cccnc2N2CCOCC2)CC1=O ZINC000032355241 395710256 /nfs/dbraw/zinc/71/02/56/395710256.db2.gz OVFDDRGISUMONM-ZDUSSCGKSA-N 0 0 318.377 0.013 50 0 DCAARN COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(-n2ccnc2)cc1 ZINC000089401239 395710887 /nfs/dbraw/zinc/71/08/87/395710887.db2.gz QIQPROPJNOBCJG-GJZGRUSLSA-N 0 0 301.346 0.981 50 0 DCAARN COC(=O)CNC(=O)c1ccc(NC(=O)Cn2cccn2)cc1 ZINC000032493415 395711218 /nfs/dbraw/zinc/71/12/18/395711218.db2.gz OHSVWNRUJHNFIN-UHFFFAOYSA-N 0 0 316.317 0.425 50 0 DCAARN C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)CN2)C[C@@H](C)O1 ZINC000032633759 395711937 /nfs/dbraw/zinc/71/19/37/395711937.db2.gz GOCXRZUQAZGIFQ-VXGBXAGGSA-N 0 0 316.361 0.572 50 0 DCAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cccnc1=O ZINC000032688177 395712457 /nfs/dbraw/zinc/71/24/57/395712457.db2.gz NPYYLRKUZAQXNF-UHFFFAOYSA-N 0 0 315.329 0.673 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H](O)Cc1ccccc1 ZINC000089512379 395712596 /nfs/dbraw/zinc/71/25/96/395712596.db2.gz SIIVILJDFMISOF-CQSZACIVSA-N 0 0 323.418 0.919 50 0 DCAARN C[C@H]1C[C@H](OC(=O)c2cccc(NS(C)(=O)=O)c2)C(=O)O1 ZINC000032736395 395712682 /nfs/dbraw/zinc/71/26/82/395712682.db2.gz JGAJWDZBQGHALH-KWQFWETISA-N 0 0 313.331 0.919 50 0 DCAARN Cc1cccc(CNC(=O)Cn2ncc3cnn(C)c(=O)c32)c1 ZINC000089669513 395713796 /nfs/dbraw/zinc/71/37/96/395713796.db2.gz FVSWLJQROYTQDT-UHFFFAOYSA-N 0 0 311.345 0.755 50 0 DCAARN COC(=O)c1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000032906390 395714273 /nfs/dbraw/zinc/71/42/73/395714273.db2.gz YMMFSUHQUWCENT-MRVPVSSYSA-N 0 0 317.388 0.794 50 0 DCAARN c1csc(N2CCCN(c3ccc4nnnn4n3)CC2)n1 ZINC000089794301 395715402 /nfs/dbraw/zinc/71/54/02/395715402.db2.gz VOZQDYDFXGAXOH-UHFFFAOYSA-N 0 0 302.367 0.693 50 0 DCAARN CCNC(=O)[C@H](C)NC(=O)Cn1nc(C)c2ccccc2c1=O ZINC000033002660 395715490 /nfs/dbraw/zinc/71/54/90/395715490.db2.gz QVHRESBFFYICBQ-NSHDSACASA-N 0 0 316.361 0.346 50 0 DCAARN C[C@H](CCCO)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000089895414 395715802 /nfs/dbraw/zinc/71/58/02/395715802.db2.gz VKIGDPROYNAVBQ-SNVBAGLBSA-N 0 0 321.420 0.529 50 0 DCAARN CC(C)c1nnc([C@@H]2CN(C(=O)c3csnn3)CCO2)[nH]1 ZINC000089893540 395716007 /nfs/dbraw/zinc/71/60/07/395716007.db2.gz GGBJUYUKRJAZTK-VIFPVBQESA-N 0 0 308.367 0.993 50 0 DCAARN CN1C(=O)NC2(CCN(Cc3cn4ccccc4n3)CC2)C1=O ZINC000090005387 395717557 /nfs/dbraw/zinc/71/75/57/395717557.db2.gz QSMKOUHNSVJVGV-UHFFFAOYSA-N 0 0 313.361 0.851 50 0 DCAARN O=C1C2=C(CN1CCCO)NC(=O)N[C@H]2c1ccc(F)cc1 ZINC000035590231 395720939 /nfs/dbraw/zinc/72/09/39/395720939.db2.gz BBBJDTHYYRXTGI-ZDUSSCGKSA-N 0 0 305.309 0.658 50 0 DCAARN CC(=O)NCc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000035670967 395721337 /nfs/dbraw/zinc/72/13/37/395721337.db2.gz AYDJJGDGIAMPLO-UHFFFAOYSA-N 0 0 311.407 0.259 50 0 DCAARN CC(C)(C)c1ccc(S(=O)(=O)N(CCO)CCO)cc1 ZINC000028580278 395696025 /nfs/dbraw/zinc/69/60/25/395696025.db2.gz DBKMCSOPOHCBBQ-UHFFFAOYSA-N 0 0 301.408 0.959 50 0 DCAARN O=S(=O)(c1cccc(Cn2ccnc2)c1)N1CCOCC1 ZINC000029594204 395698489 /nfs/dbraw/zinc/69/84/89/395698489.db2.gz IQHKIOQGDNIGSX-UHFFFAOYSA-N 0 0 307.375 0.952 50 0 DCAARN COc1ccc(Cl)cc1C(=O)NCCNS(C)(=O)=O ZINC000029677982 395699631 /nfs/dbraw/zinc/69/96/31/395699631.db2.gz JOTNNUWRJLRACD-UHFFFAOYSA-N 0 0 306.771 0.628 50 0 DCAARN Cc1cccc(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 ZINC000037489145 395727568 /nfs/dbraw/zinc/72/75/68/395727568.db2.gz JXSSBYGSLHGAOA-HUUCEWRRSA-N 0 0 310.419 0.275 50 0 DCAARN CCc1nnc([C@H]2CN(CC(=O)NC[C@@H]3CCCO3)CCO2)[nH]1 ZINC000095402434 395740305 /nfs/dbraw/zinc/74/03/05/395740305.db2.gz XBSPJVDFWVMMQH-NWDGAFQWSA-N 0 0 323.397 0.036 50 0 DCAARN O=C(c1ccncc1Br)N1CCS(=O)(=O)CC1 ZINC000095418448 395740459 /nfs/dbraw/zinc/74/04/59/395740459.db2.gz OGVPUCZYPJGMRW-UHFFFAOYSA-N 0 0 319.180 0.715 50 0 DCAARN CC(C)CNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000040268692 395733107 /nfs/dbraw/zinc/73/31/07/395733107.db2.gz KUOMYSJKBALAFO-UHFFFAOYSA-N 0 0 305.334 0.753 50 0 DCAARN O=C1CNc2ncnc(N3CCN(c4ccccn4)CC3)c2N1 ZINC000041121521 395735630 /nfs/dbraw/zinc/73/56/30/395735630.db2.gz VLTCGXITXKEPNN-UHFFFAOYSA-N 0 0 311.349 0.562 50 0 DCAARN COc1c(C(=O)NCCO)nnn1Cc1ccccc1Cl ZINC000096183550 395747325 /nfs/dbraw/zinc/74/73/25/395747325.db2.gz HLGFZHVKVZLIRJ-UHFFFAOYSA-N 0 0 310.741 0.711 50 0 DCAARN Cn1nnnc1COc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000096101305 395744428 /nfs/dbraw/zinc/74/44/28/395744428.db2.gz CFRVMWVHFZIZID-UHFFFAOYSA-N 0 0 316.365 0.177 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)N1CCc2ncncc2C1 ZINC000096122745 395745530 /nfs/dbraw/zinc/74/55/30/395745530.db2.gz SKRYWZILIXUINP-UHFFFAOYSA-N 0 0 310.313 0.969 50 0 DCAARN C[C@@]1(O)CCN(C(=O)CCc2nc3cc(F)ccc3[nH]2)C[C@@H]1O ZINC000096150361 395745957 /nfs/dbraw/zinc/74/59/57/395745957.db2.gz IVNTVEOZJLGLBE-XJKSGUPXSA-N 0 0 321.352 0.979 50 0 DCAARN COC(=O)c1ccc(-c2noc(CNS(C)(=O)=O)n2)cc1 ZINC000096405345 395752792 /nfs/dbraw/zinc/75/27/92/395752792.db2.gz DWGJBNFKSSQUDM-UHFFFAOYSA-N 0 0 311.319 0.572 50 0 DCAARN C[S@](=O)C[C@H](NC(=O)c1nccnc1N)c1ccccc1 ZINC000096445512 395753142 /nfs/dbraw/zinc/75/31/42/395753142.db2.gz YSFNWIYMVSOGBS-WIUDPPPLSA-N 0 0 304.375 0.908 50 0 DCAARN CC(=O)N[C@@H]1CCCN(C(=O)Cn2cc(-n3cccc3)cn2)C1 ZINC000096475809 395753710 /nfs/dbraw/zinc/75/37/10/395753710.db2.gz QSNPIWKZODBITP-CQSZACIVSA-N 0 0 315.377 0.801 50 0 DCAARN CN(CC(=O)NC1CC1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000096486691 395753910 /nfs/dbraw/zinc/75/39/10/395753910.db2.gz CJCKRNPNPHUKCH-SNVBAGLBSA-N 0 0 307.316 0.750 50 0 DCAARN COc1ccc(Cn2cc(C(=O)NCC(OC)OC)nn2)cc1 ZINC000096511702 395754195 /nfs/dbraw/zinc/75/41/95/395754195.db2.gz GAWVPGPNDNYTBB-UHFFFAOYSA-N 0 0 320.349 0.684 50 0 DCAARN CCOc1ncccc1CNC(=O)C[C@H]1C(=O)N(C)C(=O)N1C ZINC000097475536 395757909 /nfs/dbraw/zinc/75/79/09/395757909.db2.gz URJANSPOZIMMEO-NSHDSACASA-N 0 0 320.349 0.379 50 0 DCAARN O=C([O-])[C@@H]1C[NH2+]CCN(C(=O)Cc2noc3ccccc23)C1 ZINC000097447072 395758036 /nfs/dbraw/zinc/75/80/36/395758036.db2.gz AZDFBKBKXOYDMW-SNVBAGLBSA-N 0 0 303.318 0.503 50 0 DCAARN O=C(NCCCc1nnc2ccccn21)c1ccc2nnnn2c1 ZINC000096230913 395751001 /nfs/dbraw/zinc/75/10/01/395751001.db2.gz RGDIDXJHLXRJON-UHFFFAOYSA-N 0 0 322.332 0.530 50 0 DCAARN O=C(CCCc1cn[nH]c1)N[C@@H](CO)[C@@H](O)c1ccccc1 ZINC000097468226 395758116 /nfs/dbraw/zinc/75/81/16/395758116.db2.gz MJZUUOWNJUYFOH-HOCLYGCPSA-N 0 0 303.362 0.943 50 0 DCAARN COc1ccc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)nn1 ZINC000096232446 395751113 /nfs/dbraw/zinc/75/11/13/395751113.db2.gz TWSGMPLFKBODBD-GFCCVEGCSA-N 0 0 306.366 0.560 50 0 DCAARN CCn1cnnc1CNC(=O)c1ccccc1S(C)(=O)=O ZINC000047020618 395786086 /nfs/dbraw/zinc/78/60/86/395786086.db2.gz UEIRGKAVJMQYBS-UHFFFAOYSA-N 0 0 308.363 0.632 50 0 DCAARN O=C(N[C@@H]1CCCN(c2ncccn2)C1)N1CCC(CO)CC1 ZINC000047101197 395787503 /nfs/dbraw/zinc/78/75/03/395787503.db2.gz GCKAZVXJVKCCEC-CQSZACIVSA-N 0 0 319.409 0.859 50 0 DCAARN Cc1noc(C)c1CN1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC000047091860 395787513 /nfs/dbraw/zinc/78/75/13/395787513.db2.gz YFKCQKOJXAHCBC-AWEZNQCLSA-N 0 0 309.366 0.351 50 0 DCAARN COc1cccc(OC[C@H](O)CNC(=O)c2cnc(C)nc2)c1 ZINC000097528048 395758605 /nfs/dbraw/zinc/75/86/05/395758605.db2.gz FKVAPXKEZHEJCJ-CYBMUJFWSA-N 0 0 317.345 0.963 50 0 DCAARN CCn1c(C)nnc1SCCNC(=O)Cn1cccnc1=O ZINC000097610032 395759113 /nfs/dbraw/zinc/75/91/13/395759113.db2.gz LVOJVWQHDCACML-UHFFFAOYSA-N 0 0 322.394 0.072 50 0 DCAARN O=C([O-])C[NH+]1CCC2(CCN(Cc3ncc[nH]3)C[C@@H]2CO)CC1 ZINC000097594724 395759221 /nfs/dbraw/zinc/75/92/21/395759221.db2.gz RMHKAARRRMBVBK-CYBMUJFWSA-N 0 0 322.409 0.391 50 0 DCAARN CC(C)Cc1noc([C@H](C)NC(=O)Cn2cccnc2=O)n1 ZINC000097578666 395759379 /nfs/dbraw/zinc/75/93/79/395759379.db2.gz ROIKOZBNSMWJAN-JTQLQIEISA-N 0 0 305.338 0.702 50 0 DCAARN O=C(NCCc1ccccn1)N1CCN(c2ncccn2)CC1 ZINC000044891188 395759970 /nfs/dbraw/zinc/75/99/70/395759970.db2.gz LQRVIAACDCFYHT-UHFFFAOYSA-N 0 0 312.377 0.946 50 0 DCAARN C[C@]1(O)CCN(C(=O)c2coc(CN3CCOCC3)c2)C[C@@H]1O ZINC000097654206 395760002 /nfs/dbraw/zinc/76/00/02/395760002.db2.gz ONRPHVRUIVRSKY-HOCLYGCPSA-N 0 0 324.377 0.070 50 0 DCAARN c1cc(-c2nc(C3CCOCC3)nn2C[C@H]2COCCO2)n[nH]1 ZINC000097797277 395760898 /nfs/dbraw/zinc/76/08/98/395760898.db2.gz ZYEKGGSEECZVMG-LBPRGKRZSA-N 0 0 319.365 0.978 50 0 DCAARN CCCOC(=O)[C@H]1[C@H]2C(=O)N(C[C@@H]3CCCO3)C[C@@]23C=C[C@@H]1O3 ZINC000097957258 395761255 /nfs/dbraw/zinc/76/12/55/395761255.db2.gz CWKHMXLOOBRICA-LHLGERLTSA-N 0 0 321.373 0.901 50 0 biogenic DCAARN Cn1c(=O)n(CC(=O)NCc2ccccc2F)c2cncnc21 ZINC000097940796 395761317 /nfs/dbraw/zinc/76/13/17/395761317.db2.gz RNCBZRXRWZNGFK-UHFFFAOYSA-N 0 0 315.308 0.586 50 0 DCAARN COc1cc(CNC(=O)N2CCC(CC(N)=O)CC2)ccn1 ZINC000045494718 395763417 /nfs/dbraw/zinc/76/34/17/395763417.db2.gz RYPOVLAXXLQBQM-UHFFFAOYSA-N 0 0 306.366 0.887 50 0 DCAARN C[NH+](C)CCNc1c(=O)c(=O)c1NCC1([NH+](C)C)CCCCC1 ZINC000101698185 395767091 /nfs/dbraw/zinc/76/70/91/395767091.db2.gz FKUUEWGVQQFXFO-UHFFFAOYSA-N 0 0 322.453 0.933 50 0 DCAARN CC[C@@H](C)[C@@H](NC(=O)CN1CCC(CO)CC1)C(=O)OC ZINC000046090697 395770583 /nfs/dbraw/zinc/77/05/83/395770583.db2.gz YUNLGXRGEXROSA-BXUZGUMPSA-N 0 0 300.399 0.395 50 0 DCAARN C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCCc1cn2ccccc2n1 ZINC000193750091 395778349 /nfs/dbraw/zinc/77/83/49/395778349.db2.gz UFQVSLHBXXBUJF-RISCZKNCSA-N 0 0 315.377 0.701 50 0 DCAARN Cn1c(=O)ccn(CC(=O)N[C@H]2CCCc3ccccc32)c1=O ZINC000046672996 395779177 /nfs/dbraw/zinc/77/91/77/395779177.db2.gz SQFQDEJWHMTOQA-AWEZNQCLSA-N 0 0 313.357 0.741 50 0 DCAARN CNC(=O)[C@H]1CCCCN1C(=O)CCn1c(C)csc1=O ZINC000048273450 395812390 /nfs/dbraw/zinc/81/23/90/395812390.db2.gz XAHTXUDJVFWZQH-LLVKDONJSA-N 0 0 311.407 0.735 50 0 DCAARN CS(=O)(=O)c1ccc(C(=O)NCCNc2cnccn2)cc1 ZINC000048344770 395813987 /nfs/dbraw/zinc/81/39/87/395813987.db2.gz UUGMJXROOJPNKO-UHFFFAOYSA-N 0 0 320.374 0.722 50 0 DCAARN COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)O)c(F)cc1F ZINC000048664056 395820939 /nfs/dbraw/zinc/82/09/39/395820939.db2.gz LBJTZMIKCMFCNK-ZCFIWIBFSA-N 0 0 316.260 0.187 50 0 DCAARN CCOc1ncccc1CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112742675 395824056 /nfs/dbraw/zinc/82/40/56/395824056.db2.gz LEZRKADHKNEXTC-GFCCVEGCSA-N 0 0 316.365 0.886 50 0 DCAARN O=C(NCc1cccnc1N1CCOCC1)NC[C@H]1CCOC1 ZINC000048956340 395825258 /nfs/dbraw/zinc/82/52/58/395825258.db2.gz UYWFWVCGOFZRBB-CYBMUJFWSA-N 0 0 320.393 0.754 50 0 DCAARN OCc1csc(N2CCN(Cc3ncc[nH]3)C[C@H](O)C2)n1 ZINC000225330240 395859420 /nfs/dbraw/zinc/85/94/20/395859420.db2.gz UIYVKAZLUBGSIE-NSHDSACASA-N 0 0 309.395 0.042 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)N(C)Cc2nc[nH]n2)cs1 ZINC000225449776 395859954 /nfs/dbraw/zinc/85/99/54/395859954.db2.gz CCJVSOFBTDSSMN-UHFFFAOYSA-N 0 0 316.364 0.474 50 0 DCAARN COc1nn(C)cc1C(=O)N1CC[C@H](Oc2ccc(C)nn2)C1 ZINC000225424747 395860067 /nfs/dbraw/zinc/86/00/67/395860067.db2.gz CVUMTLOZEBCUNP-NSHDSACASA-N 0 0 317.349 0.821 50 0 DCAARN COc1ncccc1C(=O)N1CCC2(CC1)CN(C)C(=O)CO2 ZINC000217622799 395839358 /nfs/dbraw/zinc/83/93/58/395839358.db2.gz PXDUAXOPGKWJLO-UHFFFAOYSA-N 0 0 319.361 0.554 50 0 DCAARN C[C@H](NS(C)(=O)=O)C(=O)NCc1ccc2ccccc2n1 ZINC000218915609 395843977 /nfs/dbraw/zinc/84/39/77/395843977.db2.gz PKLZMHPPIBLLIV-JTQLQIEISA-N 0 0 307.375 0.789 50 0 DCAARN Cc1ccccc1OC[C@H](O)C(=O)N1CC(N2CCOCC2)C1 ZINC000218932814 395844061 /nfs/dbraw/zinc/84/40/61/395844061.db2.gz YJPKVGXLUTYPHO-HNNXBMFYSA-N 0 0 320.389 0.278 50 0 DCAARN Cc1ccc(C(=O)NC2CCN(CC(=O)NC(N)=O)CC2)s1 ZINC000051099001 395844702 /nfs/dbraw/zinc/84/47/02/395844702.db2.gz XQXBPGRXQOMQJW-UHFFFAOYSA-N 0 0 324.406 0.446 50 0 DCAARN Cc1cc(C)n(CC(=O)NCCCc2cnn(C)c2)c(=O)n1 ZINC000219916506 395847156 /nfs/dbraw/zinc/84/71/56/395847156.db2.gz GSXGZFRRZRUGCJ-UHFFFAOYSA-N 0 0 303.366 0.343 50 0 DCAARN COc1ccc(N2C[C@@H](NC(=O)c3cnc[nH]3)CC2=O)cc1 ZINC000219961323 395847228 /nfs/dbraw/zinc/84/72/28/395847228.db2.gz WXCHDQWGYUCGTD-JTQLQIEISA-N 0 0 300.318 0.954 50 0 DCAARN CC[C@@H](NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)c1ccc(C)cn1 ZINC000219862347 395847257 /nfs/dbraw/zinc/84/72/57/395847257.db2.gz PIMKLVIWMOLGNB-GFCCVEGCSA-N 0 0 316.361 0.885 50 0 DCAARN O=C(CCc1ccc2c(c1)OCO2)NCCN1CCNC1=O ZINC000220101292 395847828 /nfs/dbraw/zinc/84/78/28/395847828.db2.gz HDEBLFWHTFLAPC-UHFFFAOYSA-N 0 0 305.334 0.489 50 0 DCAARN NC(=O)C1CCN(CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000051185887 395848283 /nfs/dbraw/zinc/84/82/83/395848283.db2.gz FQXOQDKPTDUXRA-UHFFFAOYSA-N 0 0 323.368 0.518 50 0 DCAARN Cc1cc(=O)[nH]c(S[C@H](C)C(=O)NCc2cccnc2N)n1 ZINC000220511435 395848440 /nfs/dbraw/zinc/84/84/40/395848440.db2.gz AHIOVCPLXXPADT-SECBINFHSA-N 0 0 319.390 0.853 50 0 DCAARN Cc1n[nH]cc1CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000051382350 395849862 /nfs/dbraw/zinc/84/98/62/395849862.db2.gz BDGOKYNZLHLAGQ-UHFFFAOYSA-N 0 0 313.317 0.038 50 0 DCAARN CCO[C@H]1CN(C(=O)Cn2ncc3ccccc3c2=O)C[C@@H]1O ZINC000222498083 395852579 /nfs/dbraw/zinc/85/25/79/395852579.db2.gz LRDDYEYQSNVPNA-KBPBESRZSA-N 0 0 317.345 0.005 50 0 DCAARN Cc1nonc1CC(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000222474517 395852614 /nfs/dbraw/zinc/85/26/14/395852614.db2.gz PTCHILYVVQZWML-RWSFTLGLSA-N 0 0 302.334 0.944 50 0 DCAARN COCCN1C[C@@H](Cc2cc(N3CCCC3)nc(N)n2)CC1=O ZINC000222370342 395852883 /nfs/dbraw/zinc/85/28/83/395852883.db2.gz HRXBKVAWLAUMAJ-LBPRGKRZSA-N 0 0 319.409 0.696 50 0 DCAARN COc1cc(OC)c(OC)cc1CN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000271276040 395853736 /nfs/dbraw/zinc/85/37/36/395853736.db2.gz KXBWTRLYIPBXKL-MEBBXXQBSA-N 0 0 324.377 0.787 50 0 DCAARN CCc1ccc(C(=O)N2CCN(c3cc(=O)nc(N)[nH]3)CC2)[nH]1 ZINC000223259978 395854132 /nfs/dbraw/zinc/85/41/32/395854132.db2.gz SWVPLDGULYWYHP-UHFFFAOYSA-N 0 0 316.365 0.205 50 0 DCAARN COC[C@@H]1[C@H](NC(=O)CCC2=NNC(=O)CC2)[C@@H]2CCO[C@H]12 ZINC000223140350 395854508 /nfs/dbraw/zinc/85/45/08/395854508.db2.gz VKEXDDJWGNAZAJ-DRABBMOASA-N 0 0 309.366 0.199 50 0 DCAARN Cc1ccc2[nH]c(COCC(=O)N[C@@H]3COCC[C@H]3O)nc2c1 ZINC000223406970 395855259 /nfs/dbraw/zinc/85/52/59/395855259.db2.gz RGXLETSAOGBVFR-ZIAGYGMSSA-N 0 0 319.361 0.654 50 0 DCAARN CN(CC(N)=O)CC(=O)NCc1ccccc1OC(F)(F)F ZINC000051826876 395856175 /nfs/dbraw/zinc/85/61/75/395856175.db2.gz ZTYCOJUMHUHAMH-UHFFFAOYSA-N 0 0 319.283 0.619 50 0 DCAARN Cn1nnc(CN2CCc3c(cccc3NS(C)(=O)=O)C2)n1 ZINC000194443398 395797084 /nfs/dbraw/zinc/79/70/84/395797084.db2.gz SJMBKDDFRJCOBT-UHFFFAOYSA-N 0 0 322.394 0.140 50 0 DCAARN Cc1cc(CN2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)on1 ZINC000047793528 395801679 /nfs/dbraw/zinc/80/16/79/395801679.db2.gz CEVKWSXHGNDWOL-GFCCVEGCSA-N 0 0 306.366 0.153 50 0 DCAARN Cc1noc(C2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000054665097 395903711 /nfs/dbraw/zinc/90/37/11/395903711.db2.gz ULUQBJOVJWCGDC-LLVKDONJSA-N 0 0 313.379 0.519 50 0 DCAARN O=C(CCc1cccnc1)N1CCC2(CC1)NC(=O)NC2=O ZINC000054705612 395904962 /nfs/dbraw/zinc/90/49/62/395904962.db2.gz CIFKFIVRNUVTNJ-UHFFFAOYSA-N 0 0 302.334 0.215 50 0 DCAARN CCCC(=O)N1CCC(C(=O)NCCNC(=O)C2CC2)CC1 ZINC000054913533 395908062 /nfs/dbraw/zinc/90/80/62/395908062.db2.gz SPWVWPKZDBXOTQ-UHFFFAOYSA-N 0 0 309.410 0.668 50 0 DCAARN NC(=O)C1(CNS(=O)(=O)/C=C/c2ccccc2)CCOCC1 ZINC000055246088 395914835 /nfs/dbraw/zinc/91/48/35/395914835.db2.gz APMDWORBPVPMRP-IZZDOVSWSA-N 0 0 324.402 0.859 50 0 DCAARN Cc1cc(=O)[nH]c(N2CCC(NC(=O)c3cnc[nH]3)CC2)n1 ZINC000238881261 395923078 /nfs/dbraw/zinc/92/30/78/395923078.db2.gz PHTWXPZUNGGOBF-UHFFFAOYSA-N 0 0 302.338 0.613 50 0 DCAARN OC[C@@H]1O[C@H](Nc2cccc3ccccc32)[C@H](O)[C@@H](O)[C@H]1O ZINC000245377325 395927104 /nfs/dbraw/zinc/92/71/04/395927104.db2.gz JRKZPBBOEFJXRA-GVRJEKJASA-N 0 0 305.330 0.052 50 0 DCAARN CN(C)c1nccnc1O[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000225507256 395861524 /nfs/dbraw/zinc/86/15/24/395861524.db2.gz WKFRGROUPOKOGH-JTQLQIEISA-N 0 0 300.384 0.345 50 0 DCAARN O=C(COc1ccc(F)cc1)N1CC[C@@H](N2C(=O)COC2=O)C1 ZINC000225699500 395862572 /nfs/dbraw/zinc/86/25/72/395862572.db2.gz DVKDYJAGYFNDBX-LLVKDONJSA-N 0 0 322.292 0.784 50 0 DCAARN COC(=O)[C@H](O)[C@H](O)C(=O)OCc1ccc(OC(F)F)cc1 ZINC000225840434 395863730 /nfs/dbraw/zinc/86/37/30/395863730.db2.gz TXPNOKHPICUWDF-ZJUUUORDSA-N 0 0 320.244 0.226 50 0 DCAARN CN(C)C(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1F ZINC000226686870 395867107 /nfs/dbraw/zinc/86/71/07/395867107.db2.gz UWVWEWAMGMKTAZ-UHFFFAOYSA-N 0 0 316.354 0.733 50 0 DCAARN NC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1Cl ZINC000226687937 395867125 /nfs/dbraw/zinc/86/71/25/395867125.db2.gz XEKIWJJSILEIMT-UHFFFAOYSA-N 0 0 304.755 0.645 50 0 DCAARN O=C(Cn1nc(-c2cccs2)oc1=O)NC[C@H]1CCCO1 ZINC000052796555 395870276 /nfs/dbraw/zinc/87/02/76/395870276.db2.gz GIABKEZPEPFBOV-SECBINFHSA-N 0 0 309.347 0.860 50 0 DCAARN CN(CC(N)=O)CC(=O)N(C)Cc1ccc(Br)o1 ZINC000052831993 395871388 /nfs/dbraw/zinc/87/13/88/395871388.db2.gz MCFAZFCZAJMSNX-UHFFFAOYSA-N 0 0 318.171 0.418 50 0 DCAARN CCOC(=O)N(C)CC(=O)NCC(=O)NCc1ccccc1 ZINC000052941539 395873422 /nfs/dbraw/zinc/87/34/22/395873422.db2.gz OMLPECNLTJDXQI-UHFFFAOYSA-N 0 0 307.350 0.507 50 0 DCAARN CC[C@@]1(c2ccccc2)NC(=O)N(CCS(C)(=O)=O)C1=O ZINC000053130003 395876807 /nfs/dbraw/zinc/87/68/07/395876807.db2.gz IIBBAQGNWIQSKO-AWEZNQCLSA-N 0 0 310.375 0.888 50 0 DCAARN COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000229841844 395876837 /nfs/dbraw/zinc/87/68/37/395876837.db2.gz COWAKUPMGRTIFD-JKSUJKDBSA-N 0 0 322.453 0.753 50 0 DCAARN Cc1ccc(S(N)(=O)=O)cc1C(=O)NCC[C@@H]1CCOC1 ZINC000230168868 395878498 /nfs/dbraw/zinc/87/84/98/395878498.db2.gz AYQMLJXQQVADRQ-LLVKDONJSA-N 0 0 312.391 0.799 50 0 DCAARN Cc1nccn1-c1cc(CNC(=O)c2nccnc2N)ccn1 ZINC000053397454 395882083 /nfs/dbraw/zinc/88/20/83/395882083.db2.gz NKJUMHGKFAQTEX-UHFFFAOYSA-N 0 0 309.333 0.878 50 0 DCAARN CNC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000053491401 395885101 /nfs/dbraw/zinc/88/51/01/395885101.db2.gz OWIFRTQTMYFWLW-UHFFFAOYSA-N 0 0 307.379 0.213 50 0 DCAARN CS(=O)(=O)CCN1CCC(c2ccnn2CCO)CC1 ZINC000058341597 395953010 /nfs/dbraw/zinc/95/30/10/395953010.db2.gz GVZMJHRKVJSHFT-UHFFFAOYSA-N 0 0 301.412 0.099 50 0 DCAARN CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)NC[C@H]1CCCO1 ZINC000248288594 395984238 /nfs/dbraw/zinc/98/42/38/395984238.db2.gz IEFDYUBWFWZEQZ-NEPJUHHUSA-N 0 0 320.411 0.417 50 0 DCAARN CCOC(=O)[C@H]1CCCCN1S(=O)(=O)NC[C@H]1CCCO1 ZINC000248288595 395984364 /nfs/dbraw/zinc/98/43/64/395984364.db2.gz IEFDYUBWFWZEQZ-VXGBXAGGSA-N 0 0 320.411 0.417 50 0 DCAARN CC(C)C(=O)N[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000065212940 395991128 /nfs/dbraw/zinc/99/11/28/395991128.db2.gz PBVUNNRFSLQJQQ-ZDUSSCGKSA-N 0 0 304.394 0.891 50 0 DCAARN CCn1nc(CO)c2c1CCN([C@H](C)C(=O)N1CCCC1)C2 ZINC000252509844 396022447 /nfs/dbraw/zinc/02/24/47/396022447.db2.gz YWRGWUCJTFURGL-GFCCVEGCSA-N 0 0 306.410 0.764 50 0 DCAARN C[C@@H]1CN(S(C)(=O)=O)[C@@H](C)CN1CCOCC(F)F ZINC000252551770 396023007 /nfs/dbraw/zinc/02/30/07/396023007.db2.gz UGSFSHPVKNYFKE-ZJUUUORDSA-N 0 0 300.371 0.622 50 0 DCAARN Cn1nc2n(c1=O)CCN(C(=O)c1ccc3ccccc3n1)CC2 ZINC000253403447 396027005 /nfs/dbraw/zinc/02/70/05/396027005.db2.gz HEDXBAZTJUMJLQ-UHFFFAOYSA-N 0 0 323.356 0.829 50 0 DCAARN CC(C)Cn1cnc(S(=O)(=O)NCCc2cnn(C)c2)c1 ZINC000253430857 396028502 /nfs/dbraw/zinc/02/85/02/396028502.db2.gz SLQSQJLIGJUXJG-UHFFFAOYSA-N 0 0 311.411 0.794 50 0 DCAARN CCCn1c(N)c(C(=O)CN2C[C@H](C)OC[C@H]2C)c(=O)[nH]c1=O ZINC000253531063 396029381 /nfs/dbraw/zinc/02/93/81/396029381.db2.gz HFPQRHRVRTWINY-ZJUUUORDSA-N 0 0 324.381 0.233 50 0 DCAARN CCN1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000253495754 396029819 /nfs/dbraw/zinc/02/98/19/396029819.db2.gz QDOZKEFUMCQEJN-MNOVXSKESA-N 0 0 304.412 0.725 50 0 DCAARN Cc1[nH]c2cc(=O)[nH]n2c(=O)c1CCC(=O)N[C@@H](CO)C(C)C ZINC000253537179 396030524 /nfs/dbraw/zinc/03/05/24/396030524.db2.gz QZZXVYUTAUCWLI-NSHDSACASA-N 0 0 322.365 0.102 50 0 DCAARN CCCn1[nH]ccc1=NC(=O)CN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000254498566 396031378 /nfs/dbraw/zinc/03/13/78/396031378.db2.gz DCGKJTGVDCTDSW-KGLIPLIRSA-N 0 0 323.441 0.040 50 0 DCAARN CCn1c(=O)n(C)nc1[C@@H]1CCCN(c2cc(OC)ncn2)C1 ZINC000067724831 396031940 /nfs/dbraw/zinc/03/19/40/396031940.db2.gz LACSAZXCXOTJSL-LLVKDONJSA-N 0 0 318.381 0.784 50 0 DCAARN CS(=O)(=O)CC(=O)N1CCN(C2Cc3ccccc3C2)CC1 ZINC000067742395 396032490 /nfs/dbraw/zinc/03/24/90/396032490.db2.gz YZGODWIZQQZRSE-UHFFFAOYSA-N 0 0 322.430 0.343 50 0 DCAARN CCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH2+]CCn1cc(C)nn1)C2 ZINC000067756358 396032658 /nfs/dbraw/zinc/03/26/58/396032658.db2.gz UAQGKODMSADLMK-LLVKDONJSA-N 0 0 318.381 0.648 50 0 DCAARN COc1ccc(CCC(=O)N2CCOCCNC(=O)CC2)cc1 ZINC000257184154 396033993 /nfs/dbraw/zinc/03/39/93/396033993.db2.gz IGFRUMRIVHYWBH-UHFFFAOYSA-N 0 0 320.389 0.993 50 0 DCAARN CCOCC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC ZINC000257189133 396035138 /nfs/dbraw/zinc/03/51/38/396035138.db2.gz NKCJOEAXBLRKKX-KBPBESRZSA-N 0 0 306.362 0.817 50 0 DCAARN O=C(CN1CCOCC1)N1CCCCCNC(=O)[C@@H]2CCC[C@@H]21 ZINC000257191434 396035325 /nfs/dbraw/zinc/03/53/25/396035325.db2.gz PSLRMSKXAGQLPB-CABCVRRESA-N 0 0 323.437 0.616 50 0 DCAARN O=C(Cn1ccn2nc3c(c2c1=O)CCCC3)N1CCCC1 ZINC000257197454 396035831 /nfs/dbraw/zinc/03/58/31/396035831.db2.gz XQQZTFNIQQXHGT-UHFFFAOYSA-N 0 0 300.362 0.997 50 0 DCAARN Nc1nc(CNC(=O)c2cc(CN3CCOCC3)on2)cs1 ZINC000067855472 396035987 /nfs/dbraw/zinc/03/59/87/396035987.db2.gz YKTQILXEPSZHMT-UHFFFAOYSA-N 0 0 323.378 0.476 50 0 DCAARN CNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)C1CCC1 ZINC000257196425 396036042 /nfs/dbraw/zinc/03/60/42/396036042.db2.gz YFAVREQHLBMIMT-KBPBESRZSA-N 0 0 303.362 0.976 50 0 DCAARN COC[C@@H]1CN(c2ccncn2)C[C@H]1C(=O)NCC(F)(F)F ZINC000257196969 396036060 /nfs/dbraw/zinc/03/60/60/396036060.db2.gz ZFGCNMPPVUEZFI-VHSXEESVSA-N 0 0 318.299 0.854 50 0 DCAARN CC1=C(C(=O)NCCCOc2cccnc2)[C@H](C)NC(=O)N1 ZINC000067921485 396038550 /nfs/dbraw/zinc/03/85/50/396038550.db2.gz NCNCFYKYBRSONH-JTQLQIEISA-N 0 0 304.350 0.942 50 0 DCAARN COC(=O)CCCCNC(=O)NCC(C)(C)N1CCOCC1 ZINC000069245406 396073260 /nfs/dbraw/zinc/07/32/60/396073260.db2.gz ZEEFDVRLYCKZOT-UHFFFAOYSA-N 0 0 315.414 0.740 50 0 DCAARN NC(=O)CNC(=O)CCCn1cc(COc2ccccc2)nn1 ZINC000252478724 396020009 /nfs/dbraw/zinc/02/00/09/396020009.db2.gz ATMJATVJHUTWDT-UHFFFAOYSA-N 0 0 317.349 0.239 50 0 DCAARN NS(=O)(=O)C[C@H]1CCN(C(=O)CC2Cc3ccccc3C2)C1 ZINC000252490587 396020760 /nfs/dbraw/zinc/02/07/60/396020760.db2.gz KXHHLZQKMFKIFI-LBPRGKRZSA-N 0 0 322.430 0.929 50 0 DCAARN CC[C@H](NC(=O)N1CC[C@H](S(C)(=O)=O)C1)[C@H]1CCCO1 ZINC000252484491 396020932 /nfs/dbraw/zinc/02/09/32/396020932.db2.gz FXPRTJCARURRPN-SDDRHHMPSA-N 0 0 304.412 0.773 50 0 DCAARN CCOC(=O)[C@]1(COC)CCCN(C(=O)N[C@@H]2CCOC2)C1 ZINC000252485280 396020971 /nfs/dbraw/zinc/02/09/71/396020971.db2.gz GQBSEKWCSSPSEG-IUODEOHRSA-N 0 0 314.382 0.777 50 0 DCAARN Cc1ccc(CN(C)CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[N@H+](C)C2)cc1 ZINC000252495578 396021484 /nfs/dbraw/zinc/02/14/84/396021484.db2.gz OTVPZCOHZVYYAI-GJZGRUSLSA-N 0 0 319.405 0.700 50 0 DCAARN CC[C@H](C)[C@H](CO)NC(=O)Cn1ncc2ccccc2c1=O ZINC000252507572 396021510 /nfs/dbraw/zinc/02/15/10/396021510.db2.gz WOTLTFYFQKBOCV-FZMZJTMJSA-N 0 0 303.362 0.920 50 0 DCAARN C[C@H](O)CN1CCN(CC(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000069656478 396086432 /nfs/dbraw/zinc/08/64/32/396086432.db2.gz NKFGAIMAYWYSMZ-AWEZNQCLSA-N 0 0 323.412 0.783 50 0 DCAARN CCC(=O)N1CC[C@H](Oc2nccnc2N2CCOCC2)C1 ZINC000169750293 396091056 /nfs/dbraw/zinc/09/10/56/396091056.db2.gz PMNURMQUODPOJE-LBPRGKRZSA-N 0 0 306.366 0.703 50 0 DCAARN C[C@@H]1CCc2c(sc(=O)n2Cc2nc(N)nc(N(C)C)n2)C1 ZINC000069815849 396091287 /nfs/dbraw/zinc/09/12/87/396091287.db2.gz GAKAGZHXLLNYMS-MRVPVSSYSA-N 0 0 320.422 0.916 50 0 DCAARN O=C(COc1ccccc1)N[C@@H]1CCc2n[nH]c(=O)n2CC1 ZINC000169783348 396091753 /nfs/dbraw/zinc/09/17/53/396091753.db2.gz JOEXVEZAZHBPDH-LLVKDONJSA-N 0 0 302.334 0.472 50 0 DCAARN CN1C(=O)CS(=O)(=O)C12CCN(C(=O)c1ccoc1)CC2 ZINC000169779358 396091836 /nfs/dbraw/zinc/09/18/36/396091836.db2.gz DYBHCPUSUDCFGK-UHFFFAOYSA-N 0 0 312.347 0.099 50 0 DCAARN CNC(=O)CCNC(=O)[C@H](C)N1C(=O)c2ccc(C)cc2C1=O ZINC000069874388 396092897 /nfs/dbraw/zinc/09/28/97/396092897.db2.gz KQQKGWNIPHDXDB-JTQLQIEISA-N 0 0 317.345 0.232 50 0 DCAARN COC(=O)[C@H](C)NC(=O)Cc1c(C)nc2c(c(=O)[nH]n2C)c1C ZINC000069898733 396093679 /nfs/dbraw/zinc/09/36/79/396093679.db2.gz ARWSQRFVIIAENW-VIFPVBQESA-N 0 0 320.349 0.099 50 0 DCAARN Cc1nccc(C(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)n1 ZINC000069894551 396093803 /nfs/dbraw/zinc/09/38/03/396093803.db2.gz XJZGTESOCHZFFL-CQSZACIVSA-N 0 0 306.410 0.950 50 0 DCAARN C[C@@](O)(CCNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000170085589 396094504 /nfs/dbraw/zinc/09/45/04/396094504.db2.gz BTCKQHNULBYCQY-SWLSCSKDSA-N 0 0 311.403 0.835 50 0 DCAARN O=C(Nc1cnn(-c2ccccn2)c1)N[C@H]1CCc2ncnn2C1 ZINC000170603307 396095274 /nfs/dbraw/zinc/09/52/74/396095274.db2.gz XNWPWBQMJLUJGL-NSHDSACASA-N 0 0 324.348 0.995 50 0 DCAARN C[Si](C)(CNC(=O)NCCN1CCOCC1)c1ccccc1 ZINC000170617040 396096297 /nfs/dbraw/zinc/09/62/97/396096297.db2.gz DQRFRNFBGWBWQW-UHFFFAOYSA-N 0 0 321.497 0.773 50 0 DCAARN CC(C)N(C)S(=O)(=O)N1CSC[C@@H]1C(=O)N(C)C1CC1 ZINC000070013402 396097370 /nfs/dbraw/zinc/09/73/70/396097370.db2.gz BVNOSRFZLXBYQI-LLVKDONJSA-N 0 0 321.468 0.567 50 0 DCAARN CCc1ncc2c(n1)CN(CC(=O)Nc1nncs1)CC2 ZINC000070016268 396098430 /nfs/dbraw/zinc/09/84/30/396098430.db2.gz XNDYHGITNWHIHB-UHFFFAOYSA-N 0 0 304.379 0.887 50 0 DCAARN CCOC(=O)C1CCN(S(=O)(=O)c2c(C)onc2N)CC1 ZINC000071195453 396110871 /nfs/dbraw/zinc/11/08/71/396110871.db2.gz SXIPGBHFHXXSDU-UHFFFAOYSA-N 0 0 317.367 0.529 50 0 DCAARN COc1ccc2nnc(CCC(=O)N3CCSCC3)n2n1 ZINC000071287737 396112357 /nfs/dbraw/zinc/11/23/57/396112357.db2.gz KKGLBVFHWKKKMZ-UHFFFAOYSA-N 0 0 307.379 0.641 50 0 DCAARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@@H]1COC(=O)N1 ZINC000071614725 396114601 /nfs/dbraw/zinc/11/46/01/396114601.db2.gz VGDIWXUWSMTPJW-ZDUSSCGKSA-N 0 0 300.318 0.939 50 0 DCAARN O=C([O-])[C@H]1CN(C(=O)CCc2c[nH]c3ccccc23)CC[NH2+]1 ZINC000071779810 396114989 /nfs/dbraw/zinc/11/49/89/396114989.db2.gz IWJCMOLMBOXZFK-CQSZACIVSA-N 0 0 301.346 0.986 50 0 DCAARN CCN(CC(=O)NC(C)(C)C)C(=O)N[C@H](C)Cn1cncn1 ZINC000071804027 396115301 /nfs/dbraw/zinc/11/53/01/396115301.db2.gz HWVODDJFUOITBA-LLVKDONJSA-N 0 0 310.402 0.613 50 0 DCAARN COc1ccccc1OCC(=O)NC1CCN(CC(N)=O)CC1 ZINC000071795929 396115508 /nfs/dbraw/zinc/11/55/08/396115508.db2.gz LXIDPKWCOITFSU-UHFFFAOYSA-N 0 0 321.377 0.140 50 0 DCAARN O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccn2)CC1 ZINC000071794689 396115587 /nfs/dbraw/zinc/11/55/87/396115587.db2.gz RPMXQSVJVSWONZ-GFCCVEGCSA-N 0 0 309.391 0.165 50 0 DCAARN Cc1cccc(OCCNC(=O)Cn2cnnc2[S@](C)=O)c1 ZINC000071804141 396115601 /nfs/dbraw/zinc/11/56/01/396115601.db2.gz GLMHOEDFFXJIBJ-JOCHJYFZSA-N 0 0 322.390 0.519 50 0 DCAARN C[C@@H](C(=O)N1CCCN(c2cccnn2)CC1)n1ccnc1 ZINC000071860348 396119337 /nfs/dbraw/zinc/11/93/37/396119337.db2.gz HCZPSJAWJGZNEY-ZDUSSCGKSA-N 0 0 300.366 0.973 50 0 DCAARN Cc1nc(CN2CCN(C(=O)COC3CCCC3)CC2)no1 ZINC000071900242 396124200 /nfs/dbraw/zinc/12/42/00/396124200.db2.gz QGKJFECPHNOWOE-UHFFFAOYSA-N 0 0 308.382 0.981 50 0 DCAARN C[C@@]1(C2CC2)NC(=O)N(CC(=O)OC2([C@H]3CCOC3)CC2)C1=O ZINC000071913726 396124575 /nfs/dbraw/zinc/12/45/75/396124575.db2.gz WHHRSGUOKZLRNB-NHYWBVRUSA-N 0 0 322.361 0.819 50 0 DCAARN COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)N[C@@H](C)CO ZINC000071920374 396125309 /nfs/dbraw/zinc/12/53/09/396125309.db2.gz YDGQSQVRSASNHG-LURJTMIESA-N 0 0 314.363 0.587 50 0 DCAARN Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 ZINC000072235398 396127246 /nfs/dbraw/zinc/12/72/46/396127246.db2.gz DGHSZGZGOCSYLV-CHWSQXEVSA-N 0 0 305.382 0.537 50 0 DCAARN C[C@@H](Cc1ccccc1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000072290633 396129832 /nfs/dbraw/zinc/12/98/32/396129832.db2.gz CXTFDVUUKXXHAL-MEDUHNTESA-N 0 0 301.346 0.676 50 0 DCAARN COC(=O)N1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000072297585 396130643 /nfs/dbraw/zinc/13/06/43/396130643.db2.gz KHRWAXWGSPOVAT-LLVKDONJSA-N 0 0 316.321 0.233 50 0 DCAARN COc1ccc(NC(=O)NCc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000072306168 396130815 /nfs/dbraw/zinc/13/08/15/396130815.db2.gz LLKXBZGZFDRPOS-UHFFFAOYSA-N 0 0 318.333 0.414 50 0 DCAARN C[C@@](O)(CNC(=O)c1cccc2c1OCO2)CN1CCOCC1 ZINC000072306607 396130975 /nfs/dbraw/zinc/13/09/75/396130975.db2.gz ZWAZHOHZCGHJTD-MRXNPFEDSA-N 0 0 322.361 0.228 50 0 DCAARN CC(C)C(=O)N1CCN(c2ncc(S(N)(=O)=O)s2)CC1 ZINC000069368013 396075772 /nfs/dbraw/zinc/07/57/72/396075772.db2.gz VNFFKICUKJURPI-UHFFFAOYSA-N 0 0 318.424 0.095 50 0 DCAARN Cc1noc([C@H](C)N2CCN(Cc3nnnn3C3CC3)CC2)n1 ZINC000069392180 396077312 /nfs/dbraw/zinc/07/73/12/396077312.db2.gz GCGAKUYYCPBJDG-JTQLQIEISA-N 0 0 318.385 0.578 50 0 DCAARN Cn1ccnc1CN1CCN(Cc2nnnn2C2CC2)CC1 ZINC000069444237 396078614 /nfs/dbraw/zinc/07/86/14/396078614.db2.gz OVPNQWBJJQCULB-UHFFFAOYSA-N 0 0 302.386 0.059 50 0 DCAARN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 ZINC000069442460 396078709 /nfs/dbraw/zinc/07/87/09/396078709.db2.gz VGNGSQXYQJGLSF-XQHKEYJVSA-N 0 0 300.424 0.410 50 0 DCAARN Cc1ncc2c(n1)CN([C@@H](C)C(=O)NC[C@@H]1CCCO1)CC2 ZINC000069490418 396079966 /nfs/dbraw/zinc/07/99/66/396079966.db2.gz STPNDZCFACHWCD-FZMZJTMJSA-N 0 0 304.394 0.827 50 0 DCAARN CCN1CCN(C2CCN(CCS(C)(=O)=O)CC2)C1=O ZINC000069536342 396082660 /nfs/dbraw/zinc/08/26/60/396082660.db2.gz IIROKYHBJFBNFA-UHFFFAOYSA-N 0 0 303.428 0.253 50 0 DCAARN CN(C(=O)CN1CCC[C@H]1Cn1cncn1)c1nccs1 ZINC000069601341 396084771 /nfs/dbraw/zinc/08/47/71/396084771.db2.gz XUYVPSKLVPHRKL-NSHDSACASA-N 0 0 306.395 0.862 50 0 DCAARN Cc1cc(NC(=O)CN2CCN(CCO)CC2)n(C(C)(C)C)n1 ZINC000069631814 396085565 /nfs/dbraw/zinc/08/55/65/396085565.db2.gz KNSZQPQLFWGLOT-UHFFFAOYSA-N 0 0 323.441 0.495 50 0 DCAARN O=C(Nc1nncc(-c2ccccc2)n1)N1CCO[C@@H](CO)C1 ZINC000075105162 396175737 /nfs/dbraw/zinc/17/57/37/396175737.db2.gz ATIXRGHIXDNIPS-GFCCVEGCSA-N 0 0 315.333 0.764 50 0 DCAARN C[C@@]1(C2CCN(C(=O)NCc3ccco3)CC2)NC(=O)NC1=O ZINC000075094426 396176131 /nfs/dbraw/zinc/17/61/31/396176131.db2.gz SNCHFQOUGHOKRH-HNNXBMFYSA-N 0 0 320.349 0.799 50 0 DCAARN Cc1ccc(F)c(-n2nnnc2CNC[C@@H]2CN(C)CCO2)c1 ZINC000075133287 396176838 /nfs/dbraw/zinc/17/68/38/396176838.db2.gz NNHCLFWVSNDTQW-GFCCVEGCSA-N 0 0 320.372 0.530 50 0 DCAARN Cn1cc(C(=O)CCC(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)cn1 ZINC000279840419 396188245 /nfs/dbraw/zinc/18/82/45/396188245.db2.gz JNHAIZXPLIHATG-NWDGAFQWSA-N 0 0 306.366 0.543 50 0 DCAARN NS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000076020024 396192272 /nfs/dbraw/zinc/19/22/72/396192272.db2.gz UQVNCEPQTHCPNG-JGVFFNPUSA-N 0 0 320.773 0.987 50 0 DCAARN Cn1c2ccccc2n(CC(=O)N[C@H]2CCC[C@H]2C(N)=O)c1=O ZINC000076042450 396192640 /nfs/dbraw/zinc/19/26/40/396192640.db2.gz SUQQTYQBXNKETP-MNOVXSKESA-N 0 0 316.361 0.110 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)c3ccnc(C4CC4)n3)CCO2)[nH]1 ZINC000076044715 396193179 /nfs/dbraw/zinc/19/31/79/396193179.db2.gz IJOBXVRGXWGCPV-LBPRGKRZSA-N 0 0 314.349 0.994 50 0 DCAARN CS(=O)(=O)NCCN1CCC[C@H]1c1noc(C2CC2)n1 ZINC000076047447 396193253 /nfs/dbraw/zinc/19/32/53/396193253.db2.gz CNNIRMCAIXVFRR-JTQLQIEISA-N 0 0 300.384 0.633 50 0 DCAARN Cc1nnc([C@@H]2CN(CC(=O)Nc3nnc(C)s3)CCO2)[nH]1 ZINC000076049022 396193717 /nfs/dbraw/zinc/19/37/17/396193717.db2.gz UXIDPVOPHATXJW-VIFPVBQESA-N 0 0 323.382 0.285 50 0 DCAARN COC(=O)C(C)(C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000078079882 396238946 /nfs/dbraw/zinc/23/89/46/396238946.db2.gz ZJZIAVZOSYPMJJ-AWEZNQCLSA-N 0 0 320.389 0.955 50 0 DCAARN CCN1CCN(CC(=O)O[C@@H]2CCC[C@@H](OC)C2)C(=O)C1=O ZINC000078442306 396245275 /nfs/dbraw/zinc/24/52/75/396245275.db2.gz FUSAQYBSUVPNIX-VXGBXAGGSA-N 0 0 312.366 0.178 50 0 DCAARN CCn1cc(S(=O)(=O)N[C@H]2CCCN(CCOC)C2)cn1 ZINC000078532899 396247380 /nfs/dbraw/zinc/24/73/80/396247380.db2.gz VKEXDVXMRNFZDZ-LBPRGKRZSA-N 0 0 316.427 0.292 50 0 DCAARN Cc1ccc(OCC(=O)NCCCN2C(=O)CNC2=O)cc1 ZINC000078712861 396252723 /nfs/dbraw/zinc/25/27/23/396252723.db2.gz CGCSDVRVUPZQFK-UHFFFAOYSA-N 0 0 305.334 0.432 50 0 DCAARN CCc1nc(CN(C)[C@H]2CCN(CCS(C)(=O)=O)C2)no1 ZINC000078891447 396256074 /nfs/dbraw/zinc/25/60/74/396256074.db2.gz QSZVHQLLOLTOCR-NSHDSACASA-N 0 0 316.427 0.183 50 0 DCAARN CCc1nc(CN(C)[C@@H]2CCN(CCS(C)(=O)=O)C2)no1 ZINC000078891442 396256162 /nfs/dbraw/zinc/25/61/62/396256162.db2.gz QSZVHQLLOLTOCR-LLVKDONJSA-N 0 0 316.427 0.183 50 0 DCAARN CCc1noc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)n1 ZINC000078900169 396256834 /nfs/dbraw/zinc/25/68/34/396256834.db2.gz WGBMZAOPESAEEG-SECBINFHSA-N 0 0 304.354 0.834 50 0 DCAARN COC(=O)[C@@H](NC(=O)c1cnc(-n2cccn2)cn1)C(C)C ZINC000079110688 396261408 /nfs/dbraw/zinc/26/14/08/396261408.db2.gz CHTUXLATCRCNLB-LBPRGKRZSA-N 0 0 303.322 0.590 50 0 DCAARN O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H](OCc2cccnc2)C1 ZINC000077407424 396221164 /nfs/dbraw/zinc/22/11/64/396221164.db2.gz PVVNPUFPBMAYGR-CYBMUJFWSA-N 0 0 314.345 0.986 50 0 DCAARN O=c1c2sccc2nc2n1[C@H]1CS(=O)(=O)C[C@@H]1S2 ZINC000098212120 296530397 /nfs/dbraw/zinc/53/03/97/296530397.db2.gz OTKMRDUHEXIDPQ-BQBZGAKWSA-N 0 0 300.386 0.902 50 0 DCAARN CN1CC(=O)N(CC(=O)N2CCC(C(F)(F)F)CC2)C1=O ZINC000081312880 396297843 /nfs/dbraw/zinc/29/78/43/396297843.db2.gz VVCCQOJEVKCPML-UHFFFAOYSA-N 0 0 307.272 0.681 50 0 DCAARN Brc1cncnc1N[C@H]1COC[C@H]1n1ccnn1 ZINC000284632712 396346359 /nfs/dbraw/zinc/34/63/59/396346359.db2.gz UZFOCNCTDPCBCU-DTWKUNHWSA-N 0 0 311.143 0.883 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CC[C@@](O)(c3cn[nH]n3)C2)cc1 ZINC000285060995 396347432 /nfs/dbraw/zinc/34/74/32/396347432.db2.gz OOKYVHVCAXZJNB-ZDUSSCGKSA-N 0 0 308.363 0.395 50 0 DCAARN CN1CCO[C@@H](CNS(=O)(=O)CCOc2ccccc2)C1 ZINC000289280438 396458105 /nfs/dbraw/zinc/45/81/05/396458105.db2.gz FLNLGZPKJSOTET-AWEZNQCLSA-N 0 0 314.407 0.315 50 0 DCAARN Cc1c(S(=O)(=O)N[C@@H]2CCCc3nn(C)cc32)cnn1C ZINC000292264038 396541061 /nfs/dbraw/zinc/54/10/61/396541061.db2.gz KNQOTNPBTDHBQJ-GFCCVEGCSA-N 0 0 309.395 0.818 50 0 DCAARN O=C1NCCC[C@H]1NS(=O)(=O)CCOc1ccc(F)cc1 ZINC000584885567 396632076 /nfs/dbraw/zinc/63/20/76/396632076.db2.gz KWLUPFSSPANWET-GFCCVEGCSA-N 0 0 316.354 0.403 50 0 DCAARN C[C@@H](NC(=O)C(=O)N1CCCC1)c1nc(-c2ccncc2)no1 ZINC000584886386 396632488 /nfs/dbraw/zinc/63/24/88/396632488.db2.gz ORCAVFSTJAMVEK-SNVBAGLBSA-N 0 0 315.333 0.931 50 0 DCAARN CCc1nnc(CN(C)C(=O)[C@H]2CSC(C)(C)C(=O)N2)o1 ZINC000584889918 396633416 /nfs/dbraw/zinc/63/34/16/396633416.db2.gz UPMVZJCYPIIPJE-MRVPVSSYSA-N 0 0 312.395 0.601 50 0 DCAARN CCc1nnc(CN(C)C(=O)[C@H]2CCCCn3nnnc32)o1 ZINC000584889712 396633444 /nfs/dbraw/zinc/63/34/44/396633444.db2.gz WAPXDQLUJKUNGF-VIFPVBQESA-N 0 0 305.342 0.545 50 0 DCAARN Cc1n[nH]cc1CN(C)Cc1cnc(N2CCOCC2)nc1 ZINC000584891518 396633886 /nfs/dbraw/zinc/63/38/86/396633886.db2.gz ACTVMIOTWVTOQA-UHFFFAOYSA-N 0 0 302.382 0.977 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)CCn3cncn3)nc2c1 ZINC000584890341 396634243 /nfs/dbraw/zinc/63/42/43/396634243.db2.gz NDVDMACWVSXKED-UHFFFAOYSA-N 0 0 300.322 0.870 50 0 DCAARN CCc1noc(CNC2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000584898580 396635821 /nfs/dbraw/zinc/63/58/21/396635821.db2.gz KMBHSGCHEPWFLL-LBPRGKRZSA-N 0 0 308.382 0.892 50 0 DCAARN COC(=O)c1cc(O)cc(C(=O)N[C@H]2CCOC[C@@H]2OC)c1 ZINC000584899726 396636633 /nfs/dbraw/zinc/63/66/33/396636633.db2.gz SVRMYDSMNJDPGO-STQMWFEESA-N 0 0 309.318 0.713 50 0 DCAARN CCOC(=O)c1nccc(N[C@H](CO)[C@@H](O)C2CCCCC2)n1 ZINC000585132795 396640576 /nfs/dbraw/zinc/64/05/76/396640576.db2.gz WIAAGJHHQMXYPE-OCCSQVGLSA-N 0 0 323.393 0.789 50 0 DCAARN CN(C)c1cccc(C(=O)N2CC(CN3C(=O)CCC3=O)C2)c1 ZINC000585148982 396642215 /nfs/dbraw/zinc/64/22/15/396642215.db2.gz UGKXBYFRMPYMDN-UHFFFAOYSA-N 0 0 315.373 0.974 50 0 DCAARN C[C@H](Oc1ccccc1)C(=O)NCCOCCn1cncn1 ZINC000585150371 396642250 /nfs/dbraw/zinc/64/22/50/396642250.db2.gz CIWJUNPSPJEWHA-ZDUSSCGKSA-N 0 0 304.350 0.878 50 0 DCAARN CCN(C[C@@H]1CN([C@H]2CCOC2=O)CCO1)c1cccnn1 ZINC000299754230 396714145 /nfs/dbraw/zinc/71/41/45/396714145.db2.gz ZAQRKRRRCJYRIO-OLZOCXBDSA-N 0 0 306.366 0.319 50 0 DCAARN CC[C@@H](C)N(CCO)S(=O)(=O)c1cc(C(=O)NC)n(C)c1 ZINC000314505126 396782596 /nfs/dbraw/zinc/78/25/96/396782596.db2.gz SGUFWXCLPQXVAI-SNVBAGLBSA-N 0 0 317.411 0.166 50 0 DCAARN Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CCC(=O)NC1(C)C ZINC000344793222 397007856 /nfs/dbraw/zinc/00/78/56/397007856.db2.gz KSPXTLUFLYJQJV-SNVBAGLBSA-N 0 0 300.384 0.064 50 0 DCAARN Cn1cc(C(=O)NC[C@@](O)(c2ccoc2)c2ccco2)nn1 ZINC000390826519 397302202 /nfs/dbraw/zinc/30/22/02/397302202.db2.gz NGFBPZDJKWCHED-CQSZACIVSA-N 0 0 302.290 0.667 50 0 DCAARN Cc1cc(C)nc(O[C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC000390827528 397303617 /nfs/dbraw/zinc/30/36/17/397303617.db2.gz HHYBXZTZPILSEM-LLVKDONJSA-N 0 0 315.333 0.883 50 0 DCAARN CC[C@H](C)CS(=O)(=O)N1CCSC[C@@H]1S(C)(=O)=O ZINC000408513735 397358244 /nfs/dbraw/zinc/35/82/44/397358244.db2.gz VGXNRLLGQOBZEU-UWVGGRQHSA-N 0 0 315.482 0.782 50 0 DCAARN CO[C@@H]1C[C@@H]2C(=O)N([C@@H]3CCN(c4ccccn4)C3)C(=O)N2C1 ZINC000328588527 285827826 /nfs/dbraw/zinc/82/78/26/285827826.db2.gz RZWOFHOICYXAAX-JHJVBQTASA-N 0 0 316.361 0.712 50 0 DCAARN CO[C@]12CC[N@H+](Cc3cnn(CCC(=O)[O-])c3)[C@H]1C[C@@H](O)CC2 ZINC000299755089 286174624 /nfs/dbraw/zinc/17/46/24/286174624.db2.gz BGSAGTDGUKNWIT-OFQRWUPVSA-N 0 0 323.393 0.862 50 0 DCAARN COCCC[C@]1(CO)CCCN(S(=O)(=O)N2CCCC2)C1 ZINC000091445279 292384383 /nfs/dbraw/zinc/38/43/83/292384383.db2.gz KUZOBPVILHDNPT-CQSZACIVSA-N 0 0 320.455 0.828 50 0 DCAARN CCOCCS(=O)(=O)N1CCC(CN2CCOCC2)CC1 ZINC000170663696 158375505 /nfs/dbraw/zinc/37/55/05/158375505.db2.gz XPWLQAXNSJBLCN-UHFFFAOYSA-N 0 0 320.455 0.397 50 0 DCAARN Cc1nc(C)n(C2CN(C(=O)CCn3c(C)csc3=O)C2)n1 ZINC000328788882 159029547 /nfs/dbraw/zinc/02/95/47/159029547.db2.gz PNFWNZFAJPKMCL-UHFFFAOYSA-N 0 0 321.406 0.900 50 0 DCAARN COCCN1C[C@H](c2nc(-c3ncc(C)cn3)no2)CC1=O ZINC000329738543 159116627 /nfs/dbraw/zinc/11/66/27/159116627.db2.gz UJZSCVNWDFJAMT-SNVBAGLBSA-N 0 0 303.322 0.797 50 0 DCAARN Cc1cc(CS(=O)(=O)N2CCN(CC(C)C)C(=O)C2)on1 ZINC000330206276 159150934 /nfs/dbraw/zinc/15/09/34/159150934.db2.gz DDHFTZQICYWZLT-UHFFFAOYSA-N 0 0 315.395 0.613 50 0 DCAARN CC(=O)c1ccc(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)s1 ZINC000330503963 159182623 /nfs/dbraw/zinc/18/26/23/159182623.db2.gz DGBNXAPTLRPCRP-VIFPVBQESA-N 0 0 316.404 0.844 50 0 DCAARN C[C@H](Cn1cncn1)NC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000332811318 159214294 /nfs/dbraw/zinc/21/42/94/159214294.db2.gz LUFQARYKAYLRSV-MCIONIFRSA-N 0 0 322.413 0.171 50 0 DCAARN O=C(Cn1cccn1)NCC1CCN(c2ncccn2)CC1 ZINC000375484412 159794952 /nfs/dbraw/zinc/79/49/52/159794952.db2.gz YPKCBBQRCGPGTF-UHFFFAOYSA-N 0 0 300.366 0.706 50 0 DCAARN Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)N2CCOCC2)on1 ZINC000048236348 262541154 /nfs/dbraw/zinc/54/11/54/262541154.db2.gz YHKAYVQSSYFKDX-JTQLQIEISA-N 0 0 302.352 0.145 50 0 DCAARN Cc1nnc(COC(=O)Cn2cnc3ccccc3c2=O)o1 ZINC000025311959 415162500 /nfs/dbraw/zinc/16/25/00/415162500.db2.gz KCTHUJCKKHPXHF-UHFFFAOYSA-N 0 0 300.274 0.831 50 0 DCAARN Cc1cnc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)cn1 ZINC000025234996 415163045 /nfs/dbraw/zinc/16/30/45/415163045.db2.gz QMHJSBQMULWTRT-UHFFFAOYSA-N 0 0 300.318 0.976 50 0 DCAARN Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)C)n1 ZINC000000310638 415125718 /nfs/dbraw/zinc/12/57/18/415125718.db2.gz AKRBXTWYNSOPTG-UHFFFAOYSA-N 0 0 316.365 0.882 50 0 DCAARN CC(=O)[C@@H](C)n1c(C)c(C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000004370682 415129466 /nfs/dbraw/zinc/12/94/66/415129466.db2.gz AELUEAIIYAOXRK-SECBINFHSA-N 0 0 317.349 0.453 50 0 DCAARN CC1=NN(C2=NNC(=N)Cc3ncnn32)[C@@H](C(F)(F)F)C1 ZINC000004501669 415129515 /nfs/dbraw/zinc/12/95/15/415129515.db2.gz XYXPKVTYVVLULE-ZCFIWIBFSA-N 0 0 300.248 0.533 50 0 DCAARN CCN(C(=O)CSc1ncccn1)[C@H]1CCS(=O)(=O)C1 ZINC000006912678 415134888 /nfs/dbraw/zinc/13/48/88/415134888.db2.gz GKUBKSIJLOPINP-JTQLQIEISA-N 0 0 315.420 0.604 50 0 DCAARN O=C(c1ccco1)N1CCN(S(=O)(=O)c2c[nH]cn2)CC1 ZINC000006974094 415137271 /nfs/dbraw/zinc/13/72/71/415137271.db2.gz XNHOXOVSDKEDIV-UHFFFAOYSA-N 0 0 310.335 0.149 50 0 DCAARN C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)NC1CC1 ZINC000007250486 415138298 /nfs/dbraw/zinc/13/82/98/415138298.db2.gz OFHGTPCNCVJQAT-VIFPVBQESA-N 0 0 301.306 0.486 50 0 DCAARN Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)N1CCCCC1 ZINC000006938723 415138361 /nfs/dbraw/zinc/13/83/61/415138361.db2.gz IGRFGNMHFACCLE-UHFFFAOYSA-N 0 0 323.374 0.699 50 0 DCAARN COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(C)=O ZINC000007308553 415138635 /nfs/dbraw/zinc/13/86/35/415138635.db2.gz XOIDPYFQUJWFPX-UHFFFAOYSA-N 0 0 314.363 0.675 50 0 DCAARN COc1ccc(C)cc1S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000007667697 415139420 /nfs/dbraw/zinc/13/94/20/415139420.db2.gz NTETVDXHPLHYPO-UHFFFAOYSA-N 0 0 312.391 0.856 50 0 DCAARN CCOC(=O)c1c(C)oc2ncn(CC(=O)NC3CC3)c(=O)c21 ZINC000007552964 415140780 /nfs/dbraw/zinc/14/07/80/415140780.db2.gz CKHFMFUDBNRPSJ-UHFFFAOYSA-N 0 0 319.317 0.753 50 0 DCAARN C[C@@H](OC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C(=O)N1CCNC1=O ZINC000007633143 415141152 /nfs/dbraw/zinc/14/11/52/415141152.db2.gz FCDXDRIOVQNQPS-YIBTVLSRSA-N 0 0 322.361 0.865 50 0 DCAARN Cc1cnc(C(=O)OCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cn1 ZINC000007780065 415141792 /nfs/dbraw/zinc/14/17/92/415141792.db2.gz HNRHAWVPLWSWPW-UHFFFAOYSA-N 0 0 312.285 0.994 50 0 DCAARN CC(C)N(CC(N)=O)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000008532729 415144116 /nfs/dbraw/zinc/14/41/16/415144116.db2.gz OMGNVWQAVPBLTF-UHFFFAOYSA-N 0 0 304.350 0.167 50 0 DCAARN COCCNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000010221014 415145737 /nfs/dbraw/zinc/14/57/37/415145737.db2.gz MBJJAMNDLMCHBL-UHFFFAOYSA-N 0 0 319.361 0.905 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CCN(c2ncccn2)CC1 ZINC000010219491 415146083 /nfs/dbraw/zinc/14/60/83/415146083.db2.gz RMKFDRCLZCQNBO-UHFFFAOYSA-N 0 0 301.350 0.973 50 0 DCAARN CN(C)S(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000027968544 415177018 /nfs/dbraw/zinc/17/70/18/415177018.db2.gz PADGFNOINLRALB-AWEZNQCLSA-N 0 0 313.423 0.283 50 0 DCAARN CC1(C)O[C@@H]2O[C@@H]([C@@H](O)CNC(=O)c3ccccc3)[C@@H](O)[C@@H]2O1 ZINC000025663625 415165115 /nfs/dbraw/zinc/16/51/15/415165115.db2.gz WLYZZWYBLUGTEJ-KBRXKUPHSA-N 0 0 323.345 0.015 50 0 DCAARN CCOC(=O)C(NC(=O)c1ccc(OC)nc1)C(=O)OCC ZINC000025987261 415165655 /nfs/dbraw/zinc/16/56/55/415165655.db2.gz QBWXAQXMOXENDM-UHFFFAOYSA-N 0 0 310.306 0.315 50 0 DCAARN CC[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1OC ZINC000027130759 415168281 /nfs/dbraw/zinc/16/82/81/415168281.db2.gz BFZDLHWTBPZEED-GFCCVEGCSA-N 0 0 317.345 0.813 50 0 DCAARN COC(=O)[C@@H]1CCCCN1CCn1nc2ccccn2c1=O ZINC000026910420 415169150 /nfs/dbraw/zinc/16/91/50/415169150.db2.gz UHOASVNRVAOVBJ-LBPRGKRZSA-N 0 0 304.350 0.524 50 0 DCAARN COc1ccc(OC)c(CNC(=O)CCN2C(=O)CCC2=O)c1 ZINC000026397590 415170356 /nfs/dbraw/zinc/17/03/56/415170356.db2.gz JELWRFFOOSBBTA-UHFFFAOYSA-N 0 0 320.345 0.859 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(Cc2nc3ccccc3o2)CC1 ZINC000027429931 415172533 /nfs/dbraw/zinc/17/25/33/415172533.db2.gz OAFDMSCXVDMHEW-UHFFFAOYSA-N 0 0 324.406 0.752 50 0 DCAARN CC(=O)N1CCCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000027564586 415173302 /nfs/dbraw/zinc/17/33/02/415173302.db2.gz IRQVQZXRELBIDF-UHFFFAOYSA-N 0 0 300.362 0.977 50 0 DCAARN C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)[C@H]1CCCO1 ZINC000027888603 415173318 /nfs/dbraw/zinc/17/33/18/415173318.db2.gz KGFYLJJNARQADR-ZYHUDNBSSA-N 0 0 304.412 0.342 50 0 DCAARN CSCC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000027744095 415173552 /nfs/dbraw/zinc/17/35/52/415173552.db2.gz PESQCPHRXOFIPX-VXGBXAGGSA-N 0 0 312.391 0.585 50 0 endogenous,in-man DCAARN Cc1noc(CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)n1 ZINC000027893769 415174781 /nfs/dbraw/zinc/17/47/81/415174781.db2.gz JEMMWJXJROSVCH-MRVPVSSYSA-N 0 0 308.363 0.977 50 0 DCAARN C[C@@H](CNS(=O)(=O)c1ncn(C)c1Cl)N1CCOCC1 ZINC000030338091 415182718 /nfs/dbraw/zinc/18/27/18/415182718.db2.gz YPYCTBBPVAVXIC-VIFPVBQESA-N 0 0 322.818 0.073 50 0 DCAARN COc1cccc([C@H]2NC(=O)Nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000036559084 415190445 /nfs/dbraw/zinc/19/04/45/415190445.db2.gz AETUCXFCLQCICV-SNVBAGLBSA-N 0 0 302.290 0.307 50 0 DCAARN Cc1cc(NC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)no1 ZINC000040490220 415197892 /nfs/dbraw/zinc/19/78/92/415197892.db2.gz AYAYZHWFEUAKPJ-OLZOCXBDSA-N 0 0 324.381 0.842 50 0 DCAARN CC(C)N1c2ccccc2[C@H](NC(=O)C(=O)NC2CC2)C1=O ZINC000040267362 415197998 /nfs/dbraw/zinc/19/79/98/415197998.db2.gz OGNVOZFZXMZJMF-ZDUSSCGKSA-N 0 0 301.346 0.878 50 0 DCAARN Cc1cc(C(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)no1 ZINC000044916322 415232710 /nfs/dbraw/zinc/23/27/10/415232710.db2.gz HGQQYMZWOJBROP-JSGCOSHPSA-N 0 0 309.366 0.450 50 0 DCAARN CN(C)C(=O)N1CCN(C[C@H](O)COCc2ccco2)CC1 ZINC000044917905 415233623 /nfs/dbraw/zinc/23/36/23/415233623.db2.gz VJXAHKSHTLWFED-ZDUSSCGKSA-N 0 0 311.382 0.456 50 0 DCAARN Cn1c(=O)ccn(CC(=O)NCCc2ccc(Cl)cc2)c1=O ZINC000044918039 415234137 /nfs/dbraw/zinc/23/41/37/415234137.db2.gz TVLQUEGQIJSUEC-UHFFFAOYSA-N 0 0 321.764 0.559 50 0 DCAARN CO[C@@H](CNS(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000044936163 415234491 /nfs/dbraw/zinc/23/44/91/415234491.db2.gz DTUYQZXWLLHBJQ-ZDUSSCGKSA-N 0 0 300.380 0.541 50 0 DCAARN Cc1noc(CS(=O)(=O)CC(=O)N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000044938346 415235101 /nfs/dbraw/zinc/23/51/01/415235101.db2.gz BKMCXGNEBNCFLP-UWVGGRQHSA-N 0 0 315.395 0.797 50 0 DCAARN C[C@@H]1CN(CCNC(=O)N(C)Cc2cnn(C)c2)C[C@@H](C)O1 ZINC000044967785 415238395 /nfs/dbraw/zinc/23/83/95/415238395.db2.gz NIJKEKNTYVIJAA-CHWSQXEVSA-N 0 0 309.414 0.671 50 0 DCAARN CN(C)[C@@H](CNC(=O)N[C@H]1CCCCNC1=O)c1ccco1 ZINC000044966374 415239089 /nfs/dbraw/zinc/23/90/89/415239089.db2.gz RFNZTACVRQWSSX-RYUDHWBXSA-N 0 0 308.382 0.850 50 0 DCAARN COc1ccc(OC)c(CNC(=O)[C@@H](C)S(C)(=O)=O)c1 ZINC000044950032 415239374 /nfs/dbraw/zinc/23/93/74/415239374.db2.gz MRUXETOPZUHJQQ-SECBINFHSA-N 0 0 301.364 0.753 50 0 DCAARN CNC(=O)N1CCN(c2ncc(Br)cn2)CC1 ZINC000044970588 415239480 /nfs/dbraw/zinc/23/94/80/415239480.db2.gz WKNVRXYVVZCCKN-UHFFFAOYSA-N 0 0 300.160 0.701 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)NCc2cccc(F)c2)CC1 ZINC000044967902 415240247 /nfs/dbraw/zinc/24/02/47/415240247.db2.gz PIKLCZNKYUOHPL-UHFFFAOYSA-N 0 0 315.370 0.613 50 0 DCAARN C[C@H](C(=O)NCc1ccnc(N2CCCC2)c1)S(C)(=O)=O ZINC000044951784 415240432 /nfs/dbraw/zinc/24/04/32/415240432.db2.gz DVBWIQCHHMORJJ-LLVKDONJSA-N 0 0 311.407 0.731 50 0 DCAARN CCOc1ccc(C(=O)NC2CCN(CC(N)=O)CC2)cn1 ZINC000045056899 415243616 /nfs/dbraw/zinc/24/36/16/415243616.db2.gz JWHDDSBVKPIOSS-UHFFFAOYSA-N 0 0 306.366 0.160 50 0 DCAARN CC(C)CN1CCO[C@@H](CNC(=O)C2(S(C)(=O)=O)CC2)C1 ZINC000332169692 415279216 /nfs/dbraw/zinc/27/92/16/415279216.db2.gz SZMCALDXRZDPDU-LBPRGKRZSA-N 0 0 318.439 0.037 50 0 DCAARN Cc1ccc([C@@H](C)NC(=O)NCCCNS(C)(=O)=O)o1 ZINC000048061197 415283492 /nfs/dbraw/zinc/28/34/92/415283492.db2.gz RLNLIDDNVXGYOZ-SNVBAGLBSA-N 0 0 303.384 0.888 50 0 DCAARN CC1(C)O[C@H]2OC(CO)(CO)[C@@H](OCc3ccccc3)[C@H]2O1 ZINC000044615819 415225707 /nfs/dbraw/zinc/22/57/07/415225707.db2.gz QVXXTLFHRGMIHD-RDBSUJKOSA-N 0 0 310.346 0.803 50 0 DCAARN Cc1nn(C)c2ncc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)cc12 ZINC000044778779 415226584 /nfs/dbraw/zinc/22/65/84/415226584.db2.gz ZUDKEYNHVQQRSB-JTQLQIEISA-N 0 0 322.390 0.441 50 0 DCAARN CNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000044890900 415227886 /nfs/dbraw/zinc/22/78/86/415227886.db2.gz PWMXDJCBAFUPAG-UHFFFAOYSA-N 0 0 317.798 0.986 50 0 DCAARN CN(C(=O)[C@@H]1Cc2ccccc2C(=O)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000044891681 415229754 /nfs/dbraw/zinc/22/97/54/415229754.db2.gz JOWCZJYKRAEFGS-YPMHNXCESA-N 0 0 323.370 0.414 50 0 DCAARN NC(=O)[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)C1 ZINC000044893712 415229829 /nfs/dbraw/zinc/22/98/29/415229829.db2.gz GJTPHPIIUOUKFK-AAEUAGOBSA-N 0 0 302.330 0.492 50 0 DCAARN Cc1cc(C)n(CC(=O)NC2CCN(S(C)(=O)=O)CC2)n1 ZINC000044860421 415229957 /nfs/dbraw/zinc/22/99/57/415229957.db2.gz YOLMGZBHYKROGE-UHFFFAOYSA-N 0 0 314.411 0.040 50 0 DCAARN C[C@@H]1NC(C(=O)NC[C@@H]2CCCO2)=NN(c2ccccc2)C1=O ZINC000044911188 415230069 /nfs/dbraw/zinc/23/00/69/415230069.db2.gz RHWUTMLTLBCVMS-AAEUAGOBSA-N 0 0 316.361 0.620 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cn(Cc2ccccc2)nn1 ZINC000044896354 415230249 /nfs/dbraw/zinc/23/02/49/415230249.db2.gz OLQGDVFASWWDAH-LBPRGKRZSA-N 0 0 320.374 0.243 50 0 DCAARN O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1ccncc1 ZINC000044911468 415230470 /nfs/dbraw/zinc/23/04/70/415230470.db2.gz MFGWDIFEUZZWRK-GJZGRUSLSA-N 0 0 305.378 0.549 50 0 DCAARN CCN(C[C@H]1CCOC1)C(=O)Cn1nc2ccccn2c1=O ZINC000048262897 415285732 /nfs/dbraw/zinc/28/57/32/415285732.db2.gz RNPRGOQRFXBJSV-GFCCVEGCSA-N 0 0 304.350 0.381 50 0 DCAARN Cc1nccn1-c1cc(CNC(=O)[C@H](C)S(C)(=O)=O)ccn1 ZINC000048238921 415287299 /nfs/dbraw/zinc/28/72/99/415287299.db2.gz BYXOAWLAKSAGAZ-JTQLQIEISA-N 0 0 322.390 0.625 50 0 DCAARN COC(=O)c1cc(C)n(CN2CCN(c3ncccn3)CC2)n1 ZINC000048274619 415287583 /nfs/dbraw/zinc/28/75/83/415287583.db2.gz ZKEVCCOMSKBXEX-UHFFFAOYSA-N 0 0 316.365 0.548 50 0 DCAARN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000048285676 415288600 /nfs/dbraw/zinc/28/86/00/415288600.db2.gz VWTJOJPTNPQFGG-OLZOCXBDSA-N 0 0 305.382 0.532 50 0 DCAARN CCN(CC)C(=O)CNC(=O)CCn1c2ccccc2oc1=O ZINC000048355453 415291448 /nfs/dbraw/zinc/29/14/48/415291448.db2.gz ULRQCAZPDNEPFC-UHFFFAOYSA-N 0 0 319.361 0.969 50 0 DCAARN C[C@@H](CN1CCOCC1)NC1=NS(=O)(=O)c2ccccc21 ZINC000048336692 415292145 /nfs/dbraw/zinc/29/21/45/415292145.db2.gz RJYGYIJVQYVMGK-NSHDSACASA-N 0 0 309.391 0.446 50 0 DCAARN NC(=O)CC1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1 ZINC000049392523 415309500 /nfs/dbraw/zinc/30/95/00/415309500.db2.gz TUCDZXPTAKOCRO-UHFFFAOYSA-N 0 0 322.390 0.077 50 0 DCAARN C[C@@H]1CN(C(=O)[C@H]2CS[C@@]3(C)CSCC(=O)N23)CCO1 ZINC000071815240 296902852 /nfs/dbraw/zinc/90/28/52/296902852.db2.gz HNXNBDBLAQGOBB-BREBYQMCSA-N 0 0 316.448 0.641 50 0 DCAARN CC(C)CS(=O)(=O)CC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000071829536 415409324 /nfs/dbraw/zinc/40/93/24/415409324.db2.gz PQQKSSOGWHDONR-MNOVXSKESA-N 0 0 304.412 0.170 50 0 DCAARN Cc1nc(-c2cccc(F)c2)n(CC(N)=O)c(=O)c1CCO ZINC000067316912 415375439 /nfs/dbraw/zinc/37/54/39/415375439.db2.gz YTFBXCIDFRBYQP-UHFFFAOYSA-N 0 0 305.309 0.378 50 0 DCAARN COC(=O)c1cn(C)nc1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000067245712 415375452 /nfs/dbraw/zinc/37/54/52/415375452.db2.gz UNFPKCCSMSUCBX-VIFPVBQESA-N 0 0 301.368 0.627 50 0 DCAARN COC(=O)N[C@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C)C1 ZINC000067674149 415378649 /nfs/dbraw/zinc/37/86/49/415378649.db2.gz FBPPNNXCNXINGG-AAEUAGOBSA-N 0 0 309.341 0.871 50 0 DCAARN Cc1cc(C)n([C@H]2CCN(C(=O)Cc3nnc(N)s3)C2)n1 ZINC000067833738 415383581 /nfs/dbraw/zinc/38/35/81/415383581.db2.gz CQHKISMGPJIFLL-JTQLQIEISA-N 0 0 306.395 0.950 50 0 DCAARN O=C(CN1CCOc2ccccc2C1)N1CCC(O)(CO)CC1 ZINC000067689362 415385155 /nfs/dbraw/zinc/38/51/55/415385155.db2.gz BRLBVAARJBYAOG-UHFFFAOYSA-N 0 0 320.389 0.227 50 0 DCAARN Cc1cccnc1C[C@H](C)N(C)C(=O)Cn1[n-]c(=O)ccc1=O ZINC000067934381 415388655 /nfs/dbraw/zinc/38/86/55/415388655.db2.gz XJBRZVRPYLQLFW-LBPRGKRZSA-N 0 0 316.361 0.742 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)Cc3ccc(C)nc3)CCO2)[nH]1 ZINC000084191216 415492098 /nfs/dbraw/zinc/49/20/98/415492098.db2.gz ZBWOAQPMXBUREN-ZDUSSCGKSA-N 0 0 301.350 0.959 50 0 DCAARN NC(=O)COCCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000084606035 415497248 /nfs/dbraw/zinc/49/72/48/415497248.db2.gz GWLNGHPFCKHGPS-UHFFFAOYSA-N 0 0 308.359 0.620 50 0 DCAARN CC[C@H]1CN(C(=O)c2nccnc2N)C[C@H]1N1CCOCC1 ZINC000084735961 415501302 /nfs/dbraw/zinc/50/13/02/415501302.db2.gz ZTWHLODCEUEELM-NWDGAFQWSA-N 0 0 305.382 0.242 50 0 DCAARN O=C(CN1C(=O)CCC1=O)NC[C@](O)(c1ccco1)C1CC1 ZINC000075154880 415437667 /nfs/dbraw/zinc/43/76/67/415437667.db2.gz HYCGQADTYFHCRA-OAHLLOKOSA-N 0 0 306.318 0.142 50 0 DCAARN O=C(c1nnn(-c2ccc(C(F)(F)F)cc2)n1)N1CC(O)C1 ZINC000075163724 415441493 /nfs/dbraw/zinc/44/14/93/415441493.db2.gz CBPJWPXEHCJWBR-UHFFFAOYSA-N 0 0 313.239 0.498 50 0 DCAARN CS(=O)(=O)Cc1ccc(C(=O)N[C@H]2CCc3nccn3C2)o1 ZINC000075581997 415445818 /nfs/dbraw/zinc/44/58/18/415445818.db2.gz PQWWNTWKWWUFDR-JTQLQIEISA-N 0 0 323.374 0.766 50 0 DCAARN O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCN(CCO)CC1 ZINC000075572760 415447053 /nfs/dbraw/zinc/44/70/53/415447053.db2.gz BDHXCRZRZLVYMZ-OAHLLOKOSA-N 0 0 303.362 0.641 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000075602863 415447508 /nfs/dbraw/zinc/44/75/08/415447508.db2.gz OVLNUAUZTWHLNI-GFCCVEGCSA-N 0 0 308.426 0.495 50 0 DCAARN COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(CCO)CC1 ZINC000075604820 415450196 /nfs/dbraw/zinc/45/01/96/415450196.db2.gz GDMAUJYSURMVPL-LSDHHAIUSA-N 0 0 304.390 0.935 50 0 DCAARN CC1CCC2(CC1)NC(=O)N(CC(=O)NC1CCOCC1)C2=O ZINC000089922931 415527868 /nfs/dbraw/zinc/52/78/68/415527868.db2.gz ONLALQOOJAKLJH-UHFFFAOYSA-N 0 0 323.393 0.782 50 0 DCAARN Cc1ncc(S(C)(=O)=O)c(NCc2nnc(N)s2)n1 ZINC000095378867 415556478 /nfs/dbraw/zinc/55/64/78/415556478.db2.gz KVLVTCPVQPPFPR-UHFFFAOYSA-N 0 0 300.369 0.234 50 0 DCAARN COC[C@@H](NC(=O)c1cnc(N(C)C)nc1C)c1ccnn1C ZINC000095384259 415560175 /nfs/dbraw/zinc/56/01/75/415560175.db2.gz NDELAWRWMHBNJY-GFCCVEGCSA-N 0 0 318.381 0.702 50 0 DCAARN CC(C)(C)c1noc(CN2CCN(CC(=O)NC3CC3)CC2)n1 ZINC000095948516 415562753 /nfs/dbraw/zinc/56/27/53/415562753.db2.gz SFHXDQMRHWYWDR-UHFFFAOYSA-N 0 0 321.425 0.763 50 0 DCAARN COCCOc1ccc(NC(=O)N[C@H]2CCCCNC2=O)cn1 ZINC000095950643 415565302 /nfs/dbraw/zinc/56/53/02/415565302.db2.gz OVGYWMSAWWJLMZ-LBPRGKRZSA-N 0 0 322.365 0.897 50 0 DCAARN CCOC(=O)[C@@](C)(O)CN1CCN(Cc2ccccn2)CC1 ZINC000095943811 415565778 /nfs/dbraw/zinc/56/57/78/415565778.db2.gz LBELDGAPZDGCNY-INIZCTEOSA-N 0 0 307.394 0.513 50 0 DCAARN COc1cccc([C@H](O)Cn2ncc3cnn(C)c(=O)c32)c1 ZINC000095974802 415567815 /nfs/dbraw/zinc/56/78/15/415567815.db2.gz MXOFVFSYPYTYCS-CYBMUJFWSA-N 0 0 300.318 0.872 50 0 DCAARN CN(C)c1cccc(NC(=O)CCC(=O)N2CCOCC2)n1 ZINC000096006483 415568029 /nfs/dbraw/zinc/56/80/29/415568029.db2.gz AZBNZCRTJKDQGG-UHFFFAOYSA-N 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PUMQJBXNRUZVRU-GVXVVHGQSA-N 0 0 323.393 0.178 50 0 DCAARN C[C@H](CNC(=O)NCCCn1cncn1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000107573950 415669450 /nfs/dbraw/zinc/66/94/50/415669450.db2.gz AAAGFCYPKRKQSP-MCIONIFRSA-N 0 0 324.429 0.465 50 0 DCAARN CCC(=O)N1CCC(NC(=O)c2cccn3cnnc23)CC1 ZINC000299760768 416064496 /nfs/dbraw/zinc/06/44/96/416064496.db2.gz OVVRIUFSUWVYEQ-UHFFFAOYSA-N 0 0 301.350 0.860 50 0 DCAARN CC[C@@]1(C(N)=O)CCCN(C(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC000299771812 416065211 /nfs/dbraw/zinc/06/52/11/416065211.db2.gz VFQPQMLPBUGSJB-OAHLLOKOSA-N 0 0 307.350 0.914 50 0 DCAARN Cc1c(NC(=O)NCCNc2nc(C)cc(=O)[nH]2)cnn1C ZINC000299767181 416065428 /nfs/dbraw/zinc/06/54/28/416065428.db2.gz HANYUBZZBQUFEB-UHFFFAOYSA-N 0 0 305.342 0.766 50 0 DCAARN CCCc1nnsc1C(=O)N1CCc2c(nc(N)[nH]c2=O)C1 ZINC000299777244 416067184 /nfs/dbraw/zinc/06/71/84/416067184.db2.gz OCDZRLFDRXFVDL-UHFFFAOYSA-N 0 0 320.378 0.767 50 0 DCAARN Cc1nnc(C2CCN(C(=O)CSc3nncn3C)CC2)[nH]1 ZINC000299789652 416068611 /nfs/dbraw/zinc/06/86/11/416068611.db2.gz ZFVBYARAYWRLOM-UHFFFAOYSA-N 0 0 321.410 0.740 50 0 DCAARN Cc1noc(C)c1CCC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC000299791416 416068691 /nfs/dbraw/zinc/06/86/91/416068691.db2.gz CPCAIIAOVDZCGG-LLVKDONJSA-N 0 0 315.395 0.361 50 0 DCAARN CC(C)N1C[C@@H](C(=O)N2CCc3nc[nH]c(=O)c3C2)CCC1=O ZINC000299789009 416068959 /nfs/dbraw/zinc/06/89/59/416068959.db2.gz ZLGRYVVDWQLYAH-NSHDSACASA-N 0 0 318.377 0.714 50 0 DCAARN Cc1cnn(CCC(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1 ZINC000299787532 416069211 /nfs/dbraw/zinc/06/92/11/416069211.db2.gz MVLWWWZYORAAME-KBPBESRZSA-N 0 0 316.365 0.546 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)CCn3nnnc3C)nc2c1 ZINC000299787922 416069455 /nfs/dbraw/zinc/06/94/55/416069455.db2.gz UCDNBUDFLSVTIW-UHFFFAOYSA-N 0 0 315.337 0.573 50 0 DCAARN CC(=O)N1CC[C@]2(O)CCN(C(=O)c3c(C)ncn3C)C[C@@H]2C1 ZINC000299785796 416069595 /nfs/dbraw/zinc/06/95/95/416069595.db2.gz KQBKDMWZCPFOLQ-BBRMVZONSA-N 0 0 320.393 0.174 50 0 DCAARN CC(=O)c1cccc(C(=O)N2CCN(C(C)=O)C[C@H](O)C2)c1 ZINC000299788234 416070205 /nfs/dbraw/zinc/07/02/05/416070205.db2.gz XVNLELPDTOHKME-HNNXBMFYSA-N 0 0 304.346 0.554 50 0 DCAARN Cc1noc(CN2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)n1 ZINC000299787841 416070223 /nfs/dbraw/zinc/07/02/23/416070223.db2.gz RUHDQJPDUSJKIY-XFMPKHEZSA-N 0 0 309.366 0.366 50 0 DCAARN CC(=O)N1CCCC[C@@H]1C(=O)NCCn1c(C)cc(C)nc1=O ZINC000299793716 416070244 /nfs/dbraw/zinc/07/02/44/416070244.db2.gz HVUNMZQNUGNZIF-CQSZACIVSA-N 0 0 320.393 0.377 50 0 DCAARN COc1cc(CCNC(=O)Cc2c(C)[nH][nH]c2=O)cc(OC)c1 ZINC000299795890 416070717 /nfs/dbraw/zinc/07/07/17/416070717.db2.gz MGQBSHPNHLLQBF-UHFFFAOYSA-N 0 0 319.361 0.930 50 0 DCAARN C[C@H](NC(=O)CN1CCCC1=O)c1nc(-c2ccncc2)no1 ZINC000299800558 416071952 /nfs/dbraw/zinc/07/19/52/416071952.db2.gz WTDYQMATCXGZTP-JTQLQIEISA-N 0 0 315.333 0.931 50 0 DCAARN O=c1cc(Cn2cnc3cnccc3c2=O)nc2ccccn12 ZINC000181273576 416203835 /nfs/dbraw/zinc/20/38/35/416203835.db2.gz KPFVAPARAPAVBW-UHFFFAOYSA-N 0 0 305.297 0.848 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)[C@H](C)OC[C@H]2CCCCO2)CC1 ZINC000189735403 416269463 /nfs/dbraw/zinc/26/94/63/416269463.db2.gz BSAAGXQZIDGXAZ-SOUVJXGZSA-N 0 0 314.426 0.486 50 0 DCAARN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000252517943 416334620 /nfs/dbraw/zinc/33/46/20/416334620.db2.gz VNKFGBHXSURZPN-UVBJJODRSA-N 0 0 320.437 0.757 50 0 DCAARN CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)[C@H]1CC[C@@H](O)CC1)C2 ZINC000253532479 416334769 /nfs/dbraw/zinc/33/47/69/416334769.db2.gz SKPPAKYCBXGCKR-PHIMTYICSA-N 0 0 320.393 0.684 50 0 DCAARN Cc1c(OCC(=O)Nc2cccnc2)c(=O)ccn1CCO ZINC000263588437 416338352 /nfs/dbraw/zinc/33/83/52/416338352.db2.gz UFDQKNPVVNHQLM-UHFFFAOYSA-N 0 0 303.318 0.562 50 0 DCAARN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCc1cn2c(n1)CCCC2 ZINC000331531437 416324246 /nfs/dbraw/zinc/32/42/46/416324246.db2.gz UHAYKSSNKRQPRF-STQMWFEESA-N 0 0 319.409 0.933 50 0 DCAARN C[NH+](C)C[C@]1(O)CCCN(C(=O)c2[nH]nc(N)c2Cl)C1 ZINC000215616571 416326942 /nfs/dbraw/zinc/32/69/42/416326942.db2.gz ZEBSHMKRRLQSPT-GFCCVEGCSA-N 0 0 301.778 0.174 50 0 DCAARN Cn1cccc1C(=O)C(=O)N[C@@H]1CCCN(c2cnccn2)C1 ZINC000215349342 416327131 /nfs/dbraw/zinc/32/71/31/416327131.db2.gz LLCHNARXWGRRLM-GFCCVEGCSA-N 0 0 313.361 0.783 50 0 DCAARN O=C(c1ccc2n[nH]nc2c1)N1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000215151438 416327238 /nfs/dbraw/zinc/32/72/38/416327238.db2.gz DNWOTEONQDDMPJ-DHPDLVEQSA-N 0 0 302.334 0.162 50 0 DCAARN Cc1nc(C)c(CC(=O)NC[C@H](C)Oc2cccnc2)c(=O)[nH]1 ZINC000216204777 416327571 /nfs/dbraw/zinc/32/75/71/416327571.db2.gz AXUNVJZQYRKVSO-JTQLQIEISA-N 0 0 316.361 0.908 50 0 DCAARN Cn1nc2c(cc1=O)C[C@H](NC(=O)c1[nH]nc3ccccc31)CC2 ZINC000225788585 416327798 /nfs/dbraw/zinc/32/77/98/416327798.db2.gz FXSBJEOYDWWKKM-LLVKDONJSA-N 0 0 323.356 0.944 50 0 DCAARN NC(=O)CN(CC(=O)N1CCO[C@H]2CCCC[C@H]21)C1CCCC1 ZINC000230194797 416328061 /nfs/dbraw/zinc/32/80/61/416328061.db2.gz SKTHJXBIQROTIS-CABCVRRESA-N 0 0 323.437 0.886 50 0 DCAARN O=C(c1cccc(F)c1)N1CCN(C[C@H]2CCC(=O)N2)CC1 ZINC000241446957 416329965 /nfs/dbraw/zinc/32/99/65/416329965.db2.gz NPZHGNDTGQQWBJ-CQSZACIVSA-N 0 0 305.353 0.862 50 0 DCAARN COc1ccc2nnc(CNC(=O)Cc3c(C)noc3C)n2n1 ZINC000240122401 416330092 /nfs/dbraw/zinc/33/00/92/416330092.db2.gz VYMJQLHBZXJCSL-UHFFFAOYSA-N 0 0 316.321 0.597 50 0 DCAARN CCN(CCN1CCOCC1)C(=O)Cc1c(C)nc(N)nc1C ZINC000244742310 416330962 /nfs/dbraw/zinc/33/09/62/416330962.db2.gz OFMPGIAXZANGHZ-UHFFFAOYSA-N 0 0 321.425 0.399 50 0 DCAARN CCOc1cccc(CCNc2nc3c(cnn3C)c(=O)[nH]2)n1 ZINC000583650491 416480309 /nfs/dbraw/zinc/48/03/09/416480309.db2.gz HKHWNSKJAIFDRC-UHFFFAOYSA-N 0 0 314.349 1.517 50 0 DCAARN CN1CC[C@@](C)(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O ZINC000585120991 416518061 /nfs/dbraw/zinc/51/80/61/416518061.db2.gz BEKNORLIOXPMJH-CXAGYDPISA-N 0 0 321.421 0.620 50 0 DCAARN CC(C)(C)CN1CCC[C@H](N2CCN(c3nc[nH]n3)CC2)C1=O ZINC000585116112 416518782 /nfs/dbraw/zinc/51/87/82/416518782.db2.gz HNTAXYXQSLYNTD-ZDUSSCGKSA-N 0 0 320.441 0.964 50 0 DCAARN CCOC(=O)C[C@@H](NC(=O)[C@@]1(C)CCC(=O)NC1)C(F)(F)F ZINC000585113609 416518794 /nfs/dbraw/zinc/51/87/94/416518794.db2.gz QVSUXUHJZDJUKA-PELKAZGASA-N 0 0 324.299 0.903 50 0 DCAARN CCn1ncc(CNC(=O)N[C@H](C)c2nnc3n2CCCC3)n1 ZINC000527821809 417278899 /nfs/dbraw/zinc/27/88/99/417278899.db2.gz KIIFERSPFZVLAN-SNVBAGLBSA-N 0 0 318.385 0.786 50 0 DCAARN COc1nn(C)cc1C(=O)N1CCC[C@@H](Oc2ccncn2)C1 ZINC000575606253 417538578 /nfs/dbraw/zinc/53/85/78/417538578.db2.gz UABJVYIAVYEBMB-LLVKDONJSA-N 0 0 317.349 0.902 50 0 DCAARN COCCn1c(C)cnc1CCNC(=O)c1cc(C)n(C)n1 ZINC000575554346 417539126 /nfs/dbraw/zinc/53/91/26/417539126.db2.gz IHBWATAIFQXPRG-UHFFFAOYSA-N 0 0 305.382 0.852 50 0 DCAARN O=C(NCCn1cnc(C2CC2)cc1=O)c1ccc[nH]c1=O ZINC000575604239 417540285 /nfs/dbraw/zinc/54/02/85/417540285.db2.gz VBZTVWXMQBFEDO-UHFFFAOYSA-N 0 0 300.318 0.651 50 0 DCAARN Cn1cc(S(=O)(=O)NCc2cn(-c3ccsc3)nn2)cn1 ZINC000575618887 417540566 /nfs/dbraw/zinc/54/05/66/417540566.db2.gz JPFVEOUFTRYFBF-UHFFFAOYSA-N 0 0 324.391 0.541 50 0 DCAARN CN(C)c1cccc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1 ZINC000575616144 417540691 /nfs/dbraw/zinc/54/06/91/417540691.db2.gz JWYYMRAANNXWLK-UHFFFAOYSA-N 0 0 317.345 0.803 50 0 DCAARN Cn1cc(-c2nccnc2CNC(=O)N2CCNC2=O)cn1 ZINC000575619850 417540932 /nfs/dbraw/zinc/54/09/32/417540932.db2.gz OUNMUHJMHRDBQZ-UHFFFAOYSA-N 0 0 301.310 0.112 50 0 DCAARN O=C([C@H]1CC=CCC1)N1CCC(N2C(=O)COCC2=O)CC1 ZINC000575607601 417540985 /nfs/dbraw/zinc/54/09/85/417540985.db2.gz IWMOUDKTHWENMA-LBPRGKRZSA-N 0 0 306.362 0.719 50 0 DCAARN Cc1nn(C)c(C)c1C(=O)NCc1cn(-c2cccnc2)nn1 ZINC000575617568 417541262 /nfs/dbraw/zinc/54/12/62/417541262.db2.gz FULLZYUXTDDXBN-UHFFFAOYSA-N 0 0 311.349 0.943 50 0 DCAARN CCn1ccc2ccn(CCNC(=O)N3CCNC3=O)c(=O)c21 ZINC000575617376 417541363 /nfs/dbraw/zinc/54/13/63/417541363.db2.gz OMHWCIBOEXUKEC-UHFFFAOYSA-N 0 0 317.349 0.558 50 0 DCAARN O=C(NC[C@H](c1ccco1)n1cccn1)C(=O)Nc1ccon1 ZINC000575613345 417541628 /nfs/dbraw/zinc/54/16/28/417541628.db2.gz GARWXMWERBMQSI-SNVBAGLBSA-N 0 0 315.289 0.808 50 0 DCAARN Cn1cc(-c2ncccc2CNC(=O)Cn2ncccc2=O)cn1 ZINC000575619802 417542004 /nfs/dbraw/zinc/54/20/04/417542004.db2.gz ZCQOFURJKZEBGF-UHFFFAOYSA-N 0 0 324.344 0.355 50 0 DCAARN CCn1cc(NC(=O)N[C@@H]2CCCN(c3cnccn3)C2)nn1 ZINC000299760919 229407271 /nfs/dbraw/zinc/40/72/71/229407271.db2.gz SGAYBLUQHFZCGQ-LLVKDONJSA-N 0 0 316.369 0.879 50 0 DCAARN COc1ccc(N2C(=O)C[C@H](N3CCC(O)CC3)C2=O)cc1 ZINC000000081691 262527918 /nfs/dbraw/zinc/52/79/18/262527918.db2.gz LJBFDTPFUNHCGC-AWEZNQCLSA-N 0 0 304.346 0.784 50 0 DCAARN CC(=O)NC(C)(COc1nonc1C)COc1nonc1C ZINC000002837997 262532379 /nfs/dbraw/zinc/53/23/79/262532379.db2.gz FJCLXPUXBSCKBY-UHFFFAOYSA-N 0 0 311.298 0.422 50 0 DCAARN NC(=O)[C@H]1CCCN(C(=O)COC(=O)CCc2ccccc2)C1 ZINC000007893778 262536564 /nfs/dbraw/zinc/53/65/64/262536564.db2.gz ILGXJPPMFOYWFF-AWEZNQCLSA-N 0 0 318.373 0.886 50 0 DCAARN CCc1nc2c(C)nn(C)c2c(N2CCN(C(C)=O)CC2)n1 ZINC000028557563 276691382 /nfs/dbraw/zinc/69/13/82/276691382.db2.gz VXIIGDPHVZWETL-UHFFFAOYSA-N 0 0 302.382 0.903 50 0 DCAARN CC(=O)N1CCCN(C(=O)NCc2cccnc2N(C)C)CC1 ZINC000048286769 276968595 /nfs/dbraw/zinc/96/85/95/276968595.db2.gz FMDFGFAXHBASSD-UHFFFAOYSA-N 0 0 319.409 0.911 50 0 DCAARN CN1CC(=O)N2CCN(C/C=C/c3ccc(F)cc3)C[C@@H]2C1=O ZINC000065454300 277022452 /nfs/dbraw/zinc/02/24/52/277022452.db2.gz AYKQJMCQMGOBPO-XYBNCVKDSA-N 0 0 317.364 0.824 50 0 DCAARN CC(=O)NCC(=O)N(C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000285437668 277026333 /nfs/dbraw/zinc/02/63/33/277026333.db2.gz PCXNPEFHZIZVMZ-RDJZCZTQSA-N 0 0 319.405 0.653 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@]2(C)NN1 ZINC000004871917 277311322 /nfs/dbraw/zinc/31/13/22/277311322.db2.gz CWMNPKVIVXJWIM-OTYXRUKQSA-N 0 0 321.720 0.720 50 0 DCAARN CC(=O)N(C)C1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000058061094 277960607 /nfs/dbraw/zinc/96/06/07/277960607.db2.gz XAFGTEYZSMYNQK-LBPRGKRZSA-N 0 0 317.455 0.906 50 0 DCAARN CC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2C)CC1 ZINC000032401362 278043185 /nfs/dbraw/zinc/04/31/85/278043185.db2.gz BDYXZLFJCMVCSG-UHFFFAOYSA-N 0 0 300.355 0.987 50 0 DCAARN CCS(=O)(=O)N1CCC(CNC(=O)c2cncnc2)CC1 ZINC000546184101 288017005 /nfs/dbraw/zinc/01/70/05/288017005.db2.gz OWXFCOQSEZINNR-UHFFFAOYSA-N 0 0 312.395 0.268 50 0 DCAARN CC(=O)[C@@H]1[C@H](c2cccnc2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000000079354 278232984 /nfs/dbraw/zinc/23/29/84/278232984.db2.gz BIEHCHUXQPTPAS-YWVKMMECSA-N 0 0 303.240 0.892 50 0 DCAARN C[C@H]1C(=O)N(CC(=O)N2CCOCC2)C(=O)N1c1ccccc1 ZINC000014169758 278318493 /nfs/dbraw/zinc/31/84/93/278318493.db2.gz DDZINXFFTLUZTR-LBPRGKRZSA-N 0 0 317.345 0.703 50 0 DCAARN C[C@@H]1CC(=O)Nc2c1c(NC(=O)c1ccc(=O)[nH]c1)nn2C ZINC000042380646 278439428 /nfs/dbraw/zinc/43/94/28/278439428.db2.gz KFYINXHFIIMUPF-SSDOTTSWSA-N 0 0 301.306 0.806 50 0 DCAARN Cn1c2ccccc2nc(C(=O)N2CCc3[nH]cnc3C2)c1=O ZINC000095391614 279320823 /nfs/dbraw/zinc/32/08/23/279320823.db2.gz VFJWOCAUSODIKA-UHFFFAOYSA-N 0 0 309.329 0.855 50 0 DCAARN CC1(C)C(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)C1(C)C ZINC000074234048 280877827 /nfs/dbraw/zinc/87/78/27/280877827.db2.gz BNUXVEQLULZQCP-JTQLQIEISA-N 0 0 317.455 0.700 50 0 DCAARN CC[C@]1(C)NC(=O)c2ccc(C(=O)OC)cc2-n2nnnc21 ZINC000035615796 281342129 /nfs/dbraw/zinc/34/21/29/281342129.db2.gz OGMJBKGCDABLRN-AWEZNQCLSA-N 0 0 301.306 0.818 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000024478392 289771090 /nfs/dbraw/zinc/77/10/90/289771090.db2.gz WGVDMOTVNOGIBQ-LBPRGKRZSA-N 0 0 314.411 0.193 50 0 DCAARN C[C@H](OC(=O)CCn1c2ccccc2oc1=O)C(=O)NC(N)=O ZINC000017600304 290170568 /nfs/dbraw/zinc/17/05/68/290170568.db2.gz DCMALYLVMQQPJK-QMMMGPOBSA-N 0 0 321.289 0.111 50 0 DCAARN C[N@@H+]1C[C@@H]2CC[C@H]1CN(Cc1cnc3c(C(=O)[O-])cnn3c1)C2 ZINC000216458048 290281857 /nfs/dbraw/zinc/28/18/57/290281857.db2.gz MGMQRJKIRAFHOB-AAEUAGOBSA-N 0 0 315.377 0.954 50 0 DCAARN CNC(=O)[C@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000065364683 290598527 /nfs/dbraw/zinc/59/85/27/290598527.db2.gz GRJFWVYLWJMIHU-JTQLQIEISA-N 0 0 300.380 0.904 50 0 DCAARN CS(=O)(=O)c1ccc(N2CCOCC2)c(S(C)(=O)=O)c1 ZINC000000466162 295557260 /nfs/dbraw/zinc/55/72/60/295557260.db2.gz FGQSDWIMOUCLLS-UHFFFAOYSA-N 0 0 319.404 0.330 50 0 DCAARN C[C@H](C(=O)N1CCCN(C[C@@H]2CCCO2)CC1)S(C)(=O)=O ZINC000044949535 298026593 /nfs/dbraw/zinc/02/65/93/298026593.db2.gz OGHHCHPEBOADQG-OLZOCXBDSA-N 0 0 318.439 0.133 50 0 DCAARN O=C(NC1CCCCCC1)c1cc2n(n1)C[C@H](O)CNC2=O ZINC000244842350 303743225 /nfs/dbraw/zinc/74/32/25/303743225.db2.gz UPCCHDFWUJOMGT-LLVKDONJSA-N 0 0 306.366 0.440 50 0 DCAARN O=S(=O)(NC1CCCC1)C1CN(CCC2OCCO2)C1 ZINC000253431350 333771788 /nfs/dbraw/zinc/77/17/88/333771788.db2.gz RFNHSCULXNKRKA-UHFFFAOYSA-N 0 0 304.412 0.296 50 0 DCAARN CN(C[C@@H]1COCCO1)C(=O)NCc1nc(C(C)(C)C)no1 ZINC000534632391 334307721 /nfs/dbraw/zinc/30/77/21/334307721.db2.gz VRFLYVCDCTURSV-SNVBAGLBSA-N 0 0 312.370 0.924 50 0 DCAARN COC[C@@H]1CCCN1S(=O)(=O)NCc1nccn1C(C)C ZINC000534649962 334311345 /nfs/dbraw/zinc/31/13/45/334311345.db2.gz KNPONMPPUHGEDU-LBPRGKRZSA-N 0 0 316.427 0.909 50 0 DCAARN COC(C)(C)C(=O)N[C@@H]1CN(C)S(=O)(=O)c2ccsc21 ZINC000534650432 334311804 /nfs/dbraw/zinc/31/18/04/334311804.db2.gz GXEBDWAPIHUNBW-MRVPVSSYSA-N 0 0 318.420 0.965 50 0 DCAARN CC(C)C[C@@H](NC(=O)N1CCNC(=O)CC1)c1ncnn1C ZINC000534659322 334315266 /nfs/dbraw/zinc/31/52/66/334315266.db2.gz HWTBHAPRALQYLE-LLVKDONJSA-N 0 0 308.386 0.434 50 0 DCAARN CC(=O)N1CCO[C@H](CNC(=O)c2cccc3ccnn32)C1 ZINC000534666894 334319149 /nfs/dbraw/zinc/31/91/49/334319149.db2.gz NHNKZXLIZZXZAK-CYBMUJFWSA-N 0 0 302.334 0.311 50 0 DCAARN Cc1cnn([C@@H](C)CNC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000534671110 334320505 /nfs/dbraw/zinc/32/05/05/334320505.db2.gz ASBKIIZAKHWRFI-VIFPVBQESA-N 0 0 305.338 0.621 50 0 DCAARN CCOc1cc(N2CCC[C@H]2CS(=O)(=O)NC)ncn1 ZINC000580651966 341892194 /nfs/dbraw/zinc/89/21/94/341892194.db2.gz ZHNCPHPXOKXXMR-JTQLQIEISA-N 0 0 300.384 0.393 50 0 DCAARN Cn1nnc(CS(=O)(=O)c2cccc(Br)c2)n1 ZINC000408519032 534335087 /nfs/dbraw/zinc/33/50/87/534335087.db2.gz TUBUGFUGJRCRIT-UHFFFAOYSA-N 0 0 317.168 0.947 50 0 DCAARN C[C@H]1CN(C(=O)NCCOCCS(C)(=O)=O)CC[C@@H]1C ZINC000128524761 524498527 /nfs/dbraw/zinc/49/85/27/524498527.db2.gz LNJGVEYEVRWFGD-RYUDHWBXSA-N 0 0 306.428 0.735 50 0 DCAARN O=C([C@H]1COCCN1)N1CCN(c2ccccc2Cl)CC1 ZINC000088357876 526557717 /nfs/dbraw/zinc/55/77/17/526557717.db2.gz APKGEYBXKSBFGD-CYBMUJFWSA-N 0 0 309.797 0.977 50 0 DCAARN CCC(=O)N1CCC[C@H]1C(=O)NC(C)(C)c1nnc(N)s1 ZINC000299791625 528315674 /nfs/dbraw/zinc/31/56/74/528315674.db2.gz DQSADRWBMKBVOF-QMMMGPOBSA-N 0 0 311.411 0.873 50 0 DCAARN CCN1CCN(C(=O)CC2CCN(C(=O)CC(N)=O)CC2)CC1 ZINC000330950818 529123528 /nfs/dbraw/zinc/12/35/28/529123528.db2.gz JSKYUTBTQVQKLX-UHFFFAOYSA-N 0 0 324.425 0.705 50 0 DCAARN O=C(Cn1nc(-c2ccco2)ccc1=O)NC[C@H]1CCCO1 ZINC000015861086 545641709 /nfs/dbraw/zinc/64/17/09/545641709.db2.gz MGQBFWBYWBMEIX-LLVKDONJSA-N 0 0 303.318 0.799 50 0 DCAARN CC[C@@H]1CN(C(=O)[C@@H](C)OCCOC)C[C@@H]1N1CCOCC1 ZINC000084735619 545701957 /nfs/dbraw/zinc/70/19/57/545701957.db2.gz SOZVLGXDJCQNGJ-KFWWJZLASA-N 0 0 314.426 0.607 50 0 DCAARN O=C(NCc1cc[nH]n1)C(=O)Nc1ccnn1Cc1ccccc1 ZINC000084544521 545702440 /nfs/dbraw/zinc/70/24/40/545702440.db2.gz VBVIWEDVABQNNM-UHFFFAOYSA-N 0 0 324.344 0.909 50 0 DCAARN C[C@H]1CCCN(S(=O)(=O)NCC(=O)Nc2ccccn2)C1 ZINC000084697566 545702819 /nfs/dbraw/zinc/70/28/19/545702819.db2.gz DTLOURKLLOFYAG-NSHDSACASA-N 0 0 312.395 0.586 50 0 DCAARN CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(SC)cc1 ZINC000215800689 545937098 /nfs/dbraw/zinc/93/70/98/545937098.db2.gz SSXJBDIAXWJESR-CYBMUJFWSA-N 0 0 307.419 0.845 50 0 DCAARN Cc1nnc(CNC(=O)[C@H](C)c2n[nH]c(=O)c3ccccc32)[nH]1 ZINC000215953215 545938508 /nfs/dbraw/zinc/93/85/08/545938508.db2.gz JRRFGWNYWLPSGC-MRVPVSSYSA-N 0 0 312.333 0.770 50 0 DCAARN Cc1cc([C@@H]2CCCN2C(=O)CCn2ccc(=O)[nH]c2=O)no1 ZINC000222704263 545941998 /nfs/dbraw/zinc/94/19/98/545941998.db2.gz RGCYYGXILGZTEN-LBPRGKRZSA-N 0 0 318.333 0.587 50 0 DCAARN CSCC[C@H](NC(C)=O)C(=O)N1CC(Oc2cccnc2)C1 ZINC000238865326 545960398 /nfs/dbraw/zinc/96/03/98/545960398.db2.gz LQJBMCFKIWGRSW-AWEZNQCLSA-N 0 0 323.418 0.929 50 0 DCAARN CC(C)c1cc(C(=O)N(C)CC(=O)N2CCN(C)CC2)no1 ZINC000584908290 546303109 /nfs/dbraw/zinc/30/31/09/546303109.db2.gz VQDFJNGGPUGZRT-UHFFFAOYSA-N 0 0 308.382 0.644 50 0 DCAARN COc1ncc(Br)c(N2CCC[C@@H](C(N)=O)C2)n1 ZINC000585092603 546303258 /nfs/dbraw/zinc/30/32/58/546303258.db2.gz GLPYHMRKWBIMFI-SSDOTTSWSA-N 0 0 315.171 0.949 50 0 DCAARN CNC(=O)[C@H]1CCC[C@H]1Nc1ccccc1S(=O)(=O)NC ZINC000585092678 546303264 /nfs/dbraw/zinc/30/32/64/546303264.db2.gz IZEBBWLTONOGHB-WDEREUQCSA-N 0 0 311.407 0.921 50 0 DCAARN Cc1[nH][nH]c(=O)c1CCNC(=O)c1c(C2CCC2)cnn1C ZINC000585102492 546303311 /nfs/dbraw/zinc/30/33/11/546303311.db2.gz LRJVAKUOTUWYCL-LLVKDONJSA-N 0 0 303.366 0.929 50 0 DCAARN CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)S(=O)(=O)c1cn[nH]c1 ZINC000670430015 547086072 /nfs/dbraw/zinc/08/60/72/547086072.db2.gz DMELYYMUJVZCNT-JTQLQIEISA-N 0 0 314.411 0.677 50 0 DCAARN Cc1nnc(SCC(=O)N2CCC[C@@H](c3nnc[nH]3)C2)o1 ZINC000670440463 547091555 /nfs/dbraw/zinc/09/15/55/547091555.db2.gz SJBOLLTXWCASPP-SECBINFHSA-N 0 0 308.367 0.994 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)NCc2cnc3cnccn23)CC1=O ZINC000670446686 547095030 /nfs/dbraw/zinc/09/50/30/547095030.db2.gz FSJAEPNDZAFINJ-LBPRGKRZSA-N 0 0 315.377 0.850 50 0 DCAARN CCc1nccn1CCCNS(=O)(=O)c1cn(C)c(C)n1 ZINC000670447659 547095204 /nfs/dbraw/zinc/09/52/04/547095204.db2.gz YTDJHUVZUNICAW-UHFFFAOYSA-N 0 0 311.411 0.856 50 0 DCAARN CO[C@H]1COC[C@@H]1NC(=O)c1cnc(N)nc1-c1ccccc1 ZINC000670452791 547096413 /nfs/dbraw/zinc/09/64/13/547096413.db2.gz HRRHTRAXFKJCIF-STQMWFEESA-N 0 0 314.345 0.869 50 0 DCAARN CC(C)Cc1noc(CN(C)S(=O)(=O)N2CCOCC2)n1 ZINC000670453933 547096606 /nfs/dbraw/zinc/09/66/06/547096606.db2.gz PCUJZKJJHWNHEB-UHFFFAOYSA-N 0 0 318.399 0.277 50 0 DCAARN Cc1nc2cc(CNC(=O)[C@@H]3CCS(=O)(=O)C3)ccc2n1C ZINC000670455617 547097578 /nfs/dbraw/zinc/09/75/78/547097578.db2.gz UVKXETUWLUUBQD-GFCCVEGCSA-N 0 0 321.402 0.933 50 0 DCAARN CN(C)S(=O)(=O)N(C)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000670459753 547097609 /nfs/dbraw/zinc/09/76/09/547097609.db2.gz PUMZHJYWQBODKH-NSHDSACASA-N 0 0 303.428 0.516 50 0 DCAARN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C3=C(C)CCC3)C2)C1 ZINC000685942804 548747550 /nfs/dbraw/zinc/74/75/50/548747550.db2.gz QTDJQVVNGMWICE-NSHDSACASA-N 0 0 305.378 0.292 50 0 DCAARN O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1ccc2nccn2c1 ZINC000685942684 548748181 /nfs/dbraw/zinc/74/81/81/548748181.db2.gz UCIGNGDIYFIMFD-QWHCGFSZSA-N 0 0 313.317 0.634 50 0 DCAARN C[C@H](NC(=O)N1CCN(c2nncn2C)CC1)c1nccs1 ZINC000888093932 661157914 /nfs/dbraw/zinc/15/79/14/661157914.db2.gz KGTFDWNSVRSGLH-JTQLQIEISA-N 0 0 321.410 0.864 50 0 DCAARN Cc1cnc(CCNC(=O)N[C@@H]2CCN(C3CCC3)C2=O)nc1 ZINC000888100005 661179832 /nfs/dbraw/zinc/17/98/32/661179832.db2.gz RVSGCSTXVYMCNJ-CYBMUJFWSA-N 0 0 317.393 0.780 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)c1ccccc1-n1ccnn1 ZINC000182202032 665749946 /nfs/dbraw/zinc/74/99/46/665749946.db2.gz QRMGPOGWIPSNQG-ZDUSSCGKSA-N 0 0 315.377 0.718 50 0 DCAARN CC(C)NC(=S)NNC1=c2cc(C(C)C)ccc2=NC1=O ZINC000100468068 661618282 /nfs/dbraw/zinc/61/82/82/661618282.db2.gz WJXYPLIEMDRQOE-UHFFFAOYSA-N 0 0 304.419 0.455 50 0 DCAARN C[C@H](C(=O)N1CCC(c2nnc[nH]2)CC1)N1CCN(C)CC1 ZINC000426651995 661690295 /nfs/dbraw/zinc/69/02/95/661690295.db2.gz NEHIPDHEQMFYDG-GFCCVEGCSA-N 0 0 306.414 0.147 50 0 DCAARN CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000154993387 665217990 /nfs/dbraw/zinc/21/79/90/665217990.db2.gz DCUOAEGTUGZRHV-SNVBAGLBSA-N 0 0 301.350 0.926 50 0 DCAARN CCOC(=O)N1CCN(C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000863968801 667204176 /nfs/dbraw/zinc/20/41/76/667204176.db2.gz OJLBDQTVZUHHFW-HIFRSBDPSA-N 0 0 300.399 0.673 50 0 DCAARN O=C(CCCN1CCCC1=O)NCc1nnc2ccccn21 ZINC000952974848 685600043 /nfs/dbraw/zinc/60/00/43/685600043.db2.gz VTLXFFOMLMOPDP-UHFFFAOYSA-N 0 0 301.350 0.748 50 0 DCAARN O=C([C@H]1COc2ccccc2O1)N1CC(Cn2cncn2)C1 ZINC000952993439 685603392 /nfs/dbraw/zinc/60/33/92/685603392.db2.gz WQVOCBGLLXXUCR-CQSZACIVSA-N 0 0 300.318 0.577 50 0 DCAARN O=C([C@@H]1COc2ccccc2O1)N1CC(Cn2cncn2)C1 ZINC000952993437 685603514 /nfs/dbraw/zinc/60/35/14/685603514.db2.gz WQVOCBGLLXXUCR-AWEZNQCLSA-N 0 0 300.318 0.577 50 0 DCAARN O=C(c1c[n-]ncc1=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000952993839 685603556 /nfs/dbraw/zinc/60/35/56/685603556.db2.gz RXUHEFUAZWOIBM-UHFFFAOYSA-N 0 0 303.297 0.679 50 0 DCAARN O=C([O-])[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cccc3c1OCC3)C2 ZINC000065371373 685063240 /nfs/dbraw/zinc/06/32/40/685063240.db2.gz MSJGROHBEHSAIJ-ZBEGNZNMSA-N 0 0 302.330 0.368 50 0 DCAARN Nc1nc2c(c(-c3cccnc3)n1)CN(C(=O)[C@H]1CCOC1)C2 ZINC000067540281 685069801 /nfs/dbraw/zinc/06/98/01/685069801.db2.gz CEKHDDBSGPDLTM-NSHDSACASA-N 0 0 311.345 1.000 50 0 DCAARN COc1ccc(CCCC(=O)N2CC[NH2+][C@H](C(=O)[O-])C2)cc1 ZINC000071759958 685073179 /nfs/dbraw/zinc/07/31/79/685073179.db2.gz NDXPMUSGIYUPIH-AWEZNQCLSA-N 0 0 306.362 0.903 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)Cc2ccccc2Cl)C[C@H]1CO ZINC000253408917 685187747 /nfs/dbraw/zinc/18/77/47/685187747.db2.gz LFAZYLAKLUWABG-NWDGAFQWSA-N 0 0 310.781 0.695 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3sc(N)nc3C)C[C@@H]2O)[nH]n1 ZINC001704298615 1179964277 /nfs/dbraw/zinc/96/42/77/1179964277.db2.gz JSROVBAUTLINEI-KOLCDFICSA-N 0 0 321.406 0.741 50 0 DCAARN COCc1noc(CN2C[C@@H](Cc3cc(C)no3)[C@H](O)C2)n1 ZINC001704298737 1179964759 /nfs/dbraw/zinc/96/47/59/1179964759.db2.gz CZDVURUIBDIYAV-ZYHUDNBSSA-N 0 0 308.338 0.548 50 0 DCAARN O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cc(=O)[nH]c(=O)[nH]1 ZINC001704301231 1179966060 /nfs/dbraw/zinc/96/60/60/1179966060.db2.gz QCQZHTSKYXHFES-PWSUYJOCSA-N 0 0 316.317 0.270 50 0 DCAARN Cc1ccnc(N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)n1 ZINC001704304820 1179968082 /nfs/dbraw/zinc/96/80/82/1179968082.db2.gz OFTCLKFOSGSHRF-QWRGUYRKSA-N 0 0 300.384 0.103 50 0 DCAARN O=C([O-])C[N@@H+]1C[C@H]2COC[C@@H]1CN(c1cc(C3CC3)ncn1)C2 ZINC001704314395 1179971334 /nfs/dbraw/zinc/97/13/34/1179971334.db2.gz YUWRYPYYOOUBIH-YPMHNXCESA-N 0 0 318.377 0.576 50 0 DCAARN CCNC(=O)c1ccc(N2CCC(c3nc(N)n[nH]3)CC2)nc1 ZINC001704328527 1179973888 /nfs/dbraw/zinc/97/38/88/1179973888.db2.gz KKWCUNMQDHVXFW-UHFFFAOYSA-N 0 0 315.381 0.916 50 0 DCAARN CCNC(=O)C[N@@H+]1CC[C@](Cc2ccccc2)(C(=O)[O-])[C@@H](O)C1 ZINC001704330403 1179974957 /nfs/dbraw/zinc/97/49/57/1179974957.db2.gz ILWUEBDCGLWOQJ-WMLDXEAASA-N 0 0 320.389 0.503 50 0 DCAARN C[C@@]1(O)CCOC2(CCN(C(=O)c3cncc(O)c3)CC2)[C@H]1O ZINC001704335746 1179977672 /nfs/dbraw/zinc/97/76/72/1179977672.db2.gz FZWRMPBXSSOBHA-LSDHHAIUSA-N 0 0 322.361 0.294 50 0 DCAARN CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccccc1 ZINC001704341490 1179978965 /nfs/dbraw/zinc/97/89/65/1179978965.db2.gz UQRDJQADYZBUPW-QWHCGFSZSA-N 0 0 312.391 0.323 50 0 DCAARN Cc1cc(N)n(CC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)n1 ZINC001704340299 1179979207 /nfs/dbraw/zinc/97/92/07/1179979207.db2.gz FRHKHXVEDGPXEV-KGLIPLIRSA-N 0 0 315.377 0.543 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@H]2O)on1 ZINC001704345243 1179979983 /nfs/dbraw/zinc/97/99/83/1179979983.db2.gz ULQUFSFTGCQWQQ-QMTHXVAHSA-N 0 0 316.361 0.870 50 0 DCAARN CCS(=O)(=O)Nc1ccc(C(=O)NCCn2cncn2)cc1 ZINC001704353769 1179982543 /nfs/dbraw/zinc/98/25/43/1179982543.db2.gz LHVHHVQAPSDEQJ-UHFFFAOYSA-N 0 0 323.378 0.470 50 0 DCAARN COCc1cn([C@@H]2CCN(C(=O)c3ccc(OC)nc3)C2)nn1 ZINC000675018683 748027533 /nfs/dbraw/zinc/02/75/33/748027533.db2.gz ZKCNQZBQERDXAS-CYBMUJFWSA-N 0 0 317.349 0.915 50 0 DCAARN Cn1nc(NC(=O)N[C@H](CCCO)c2ccccc2)ccc1=O ZINC000585119307 754822316 /nfs/dbraw/zinc/82/23/16/754822316.db2.gz BHDCTKQVUCQUOH-CYBMUJFWSA-N 0 0 316.361 1.416 50 0 DCAARN CN(CCCCN1CCOCC1)S(=O)(=O)c1cn[nH]c1 ZINC000823725414 758268570 /nfs/dbraw/zinc/26/85/70/758268570.db2.gz INRNTDKEEHTUGL-UHFFFAOYSA-N 0 0 302.400 0.143 50 0 DCAARN COC(=O)N[C@@H](C)c1nc(CC(N)=O)nn1-c1cc(C)ccn1 ZINC000824155870 758760348 /nfs/dbraw/zinc/76/03/48/758760348.db2.gz GSDGQCGFNDKASK-VIFPVBQESA-N 0 0 318.337 0.416 50 0 DCAARN COc1ccc(NC(=O)[C@H](C)N2CCOCC2)c2nonc21 ZINC000824645544 758781005 /nfs/dbraw/zinc/78/10/05/758781005.db2.gz RQKPFQCGKZGQSW-VIFPVBQESA-N 0 0 306.322 0.891 50 0 DCAARN COc1ccc(C[C@@H]2NC(=O)C3(CCOCC3)NC2=O)cc1 ZINC000824673668 758781034 /nfs/dbraw/zinc/78/10/34/758781034.db2.gz WWTLVNPQHMPUDY-ZDUSSCGKSA-N 0 0 304.346 0.402 50 0 DCAARN Cc1nc(SCC(=O)N2C[C@H]3CCC[C@@H](C2)NC3=O)n[nH]1 ZINC000825261538 758800213 /nfs/dbraw/zinc/80/02/13/758800213.db2.gz FAPGGCKPJUEVHV-ZJUUUORDSA-N 0 0 309.395 0.332 50 0 DCAARN O=C(NC[C@@H](c1ccccn1)N1CCOCC1)C1CCOCC1 ZINC000827763660 758883027 /nfs/dbraw/zinc/88/30/27/758883027.db2.gz GUUPQNYWRKSWHQ-INIZCTEOSA-N 0 0 319.405 0.998 50 0 DCAARN O=C1CC[C@H](N2CCCNC(=O)C2)CN1Cc1ccccc1 ZINC000828308679 758978131 /nfs/dbraw/zinc/97/81/31/758978131.db2.gz MDIKRRNQWGNYEC-HNNXBMFYSA-N 0 0 301.390 1.000 50 0 DCAARN CCn1cnnc1C[C@@H]1CCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000581779766 760247861 /nfs/dbraw/zinc/24/78/61/760247861.db2.gz JWETXPFPHQOVHH-NSHDSACASA-N 0 0 324.410 0.285 50 0 DCAARN COCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2C)C[C@@H]1CO ZINC000581781032 760248781 /nfs/dbraw/zinc/24/87/81/760248781.db2.gz YXZMLSYTUNVPED-UKRRQHHQSA-N 0 0 320.389 0.581 50 0 DCAARN CCN1C(=O)[C@@H]2CC3(CN2C1=O)CCN(C(=O)CCOC)CC3 ZINC000581803669 760253427 /nfs/dbraw/zinc/25/34/27/760253427.db2.gz QKBSLGLFGQKHRE-LBPRGKRZSA-N 0 0 323.393 0.688 50 0 DCAARN O=C(c1cn(C2CN(C(=O)[C@H]3CCCO3)C2)nn1)N1CCCC1 ZINC000581810597 760255348 /nfs/dbraw/zinc/25/53/48/760255348.db2.gz CYGZVACQBXEUCX-CYBMUJFWSA-N 0 0 319.365 0.076 50 0 DCAARN CN(C)S(=O)(=O)c1cnn(C)c1I ZINC000585115566 766285019 /nfs/dbraw/zinc/28/50/19/766285019.db2.gz HPJGJEMDYWPVNX-UHFFFAOYSA-N 0 0 315.136 0.275 50 0 DCAARN O=C(NCCCCO)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC000585122231 766287253 /nfs/dbraw/zinc/28/72/53/766287253.db2.gz RYAUCIJMMXPAKH-YPMHNXCESA-N 0 0 321.295 0.686 50 0 DCAARN COC(=O)C[C@H]1CCCN1C(=O)CCN1C(=O)C(C)=C(C)C1=O ZINC000585129510 766290828 /nfs/dbraw/zinc/29/08/28/766290828.db2.gz MDRVXKBGYGZXKW-GFCCVEGCSA-N 0 0 322.361 0.636 50 0 DCAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)Cn1nnc(C(N)=O)n1 ZINC000585133107 766292993 /nfs/dbraw/zinc/29/29/93/766292993.db2.gz SZUMKMDVGSJAKZ-GMTAPVOTSA-N 0 0 309.370 0.776 50 0 DCAARN COCCN(CCOC)C1CN(C(=O)OC[C@@H]2CCCO2)C1 ZINC000952877359 768941952 /nfs/dbraw/zinc/94/19/52/768941952.db2.gz OQTKLJIKWKEEDI-AWEZNQCLSA-N 0 0 316.398 0.581 50 0 DCAARN Cn1c(=O)[nH]c2[nH]c(N3CCC[C@H](c4cc[nH]n4)C3)nc2c1=O ZINC000952880461 768946744 /nfs/dbraw/zinc/94/67/44/768946744.db2.gz BGUUSSQJPLZFOE-QMMMGPOBSA-N 0 0 315.337 0.469 50 0 DCAARN CCCCOC(=O)CN1CCO[C@@H](CN2CCOCC2)C1 ZINC000952882706 768950187 /nfs/dbraw/zinc/95/01/87/768950187.db2.gz IPPSIKOIGLXJBQ-AWEZNQCLSA-N 0 0 300.399 0.363 50 0 DCAARN Cc1cccc(OCCNC(=O)CN2C(=O)CCN(C)C2=O)c1 ZINC000952884036 768951675 /nfs/dbraw/zinc/95/16/75/768951675.db2.gz RXDHBWAWMPQUJT-UHFFFAOYSA-N 0 0 319.361 0.774 50 0 DCAARN CN(C)S(=O)(=O)NCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000904368873 775967797 /nfs/dbraw/zinc/96/77/97/775967797.db2.gz JVJFKQLZEWQFNJ-UHFFFAOYSA-N 0 0 318.305 0.911 50 0 DCAARN CNC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1 ZINC001529112023 1014497106 /nfs/dbraw/zinc/49/71/06/1014497106.db2.gz FWOHDWPCBQWWLA-CABCVRRESA-N 0 0 304.346 0.872 50 0 DCAARN CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc2nncn2c(N)n1 ZINC001529118673 1014499452 /nfs/dbraw/zinc/49/94/52/1014499452.db2.gz OAHLRDGFHJWNJF-JTQLQIEISA-N 0 0 317.397 0.790 50 0 DCAARN O=C(c1cc2ncccn2n1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 ZINC001529126370 1014500713 /nfs/dbraw/zinc/50/07/13/1014500713.db2.gz HHYXMTUELVQMID-HIFRSBDPSA-N 0 0 323.356 0.800 50 0 DCAARN O=C([C@H]1OCC(=O)N[C@@H]1c1ccccc1)N1CCC(CO)CC1 ZINC001529158681 1014509330 /nfs/dbraw/zinc/50/93/30/1014509330.db2.gz IZIJXBGVSGQZGT-CVEARBPZSA-N 0 0 318.373 0.474 50 0 DCAARN COCCN(C)CC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 ZINC001529155646 1014509598 /nfs/dbraw/zinc/50/95/98/1014509598.db2.gz XLPHQJKRBHUBCG-NVXWUHKLSA-N 0 0 322.405 0.526 50 0 DCAARN COc1ncc(CN2CC[C@@]3(C(=O)[O-])CCC[N@H+](C)[C@@H]3C2)cn1 ZINC001529168770 1014510885 /nfs/dbraw/zinc/51/08/85/1014510885.db2.gz KRACCNZLNMOSFD-CJNGLKHVSA-N 0 0 320.393 0.856 50 0 DCAARN COc1ccc(NC(C)(C)C(=O)NCCc2nc(N)n[nH]2)cc1 ZINC001506398602 1017252566 /nfs/dbraw/zinc/25/25/66/1017252566.db2.gz UEESLKJEUDCRIU-UHFFFAOYSA-N 0 0 318.381 0.945 50 0 DCAARN COCC[N@@H+]1CCC[C@H](CN(C)c2nccnc2C(=O)[O-])C1 ZINC001506430009 1017270967 /nfs/dbraw/zinc/27/09/67/1017270967.db2.gz WTMJCXKLSTWORD-GFCCVEGCSA-N 0 0 308.382 0.969 50 0 DCAARN CC(C)C[N@@H+]1CC[C@@H](CN(C)C(=O)Cc2cc(=O)[nH][n-]c2=O)C1 ZINC001506399979 1017255810 /nfs/dbraw/zinc/25/58/10/1017255810.db2.gz GKFQYYASIWKCNM-LBPRGKRZSA-N 0 0 322.409 0.867 50 0 DCAARN C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CCO1 ZINC000074614085 185003031 /nfs/dbraw/zinc/00/30/31/185003031.db2.gz RFCDUXKQPNNRRZ-QWHCGFSZSA-N 0 0 307.398 0.819 50 0 DCAARN COc1ccccc1N1C(=O)C[C@H](N2CCN(C)CC2)C1=O ZINC000095483186 185373723 /nfs/dbraw/zinc/37/37/23/185373723.db2.gz WRDYAFGDIMMUEE-ZDUSSCGKSA-N 0 0 303.362 0.575 50 0 DCAARN CCn1ccnc1C1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 ZINC000095501628 185375036 /nfs/dbraw/zinc/37/50/36/185375036.db2.gz WMMHDMDOSYJHQF-LLVKDONJSA-N 0 0 319.365 0.207 50 0 DCAARN CCc1ccccc1N1CCN(C(=O)CN2CCNC2=O)CC1 ZINC000095511340 185376251 /nfs/dbraw/zinc/37/62/51/185376251.db2.gz XHCSOTGJMMAYMH-UHFFFAOYSA-N 0 0 316.405 0.923 50 0 DCAARN CCc1nc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)no1 ZINC000078900656 185125709 /nfs/dbraw/zinc/12/57/09/185125709.db2.gz VIOMSKNUVQWZCC-SECBINFHSA-N 0 0 304.354 0.834 50 0 DCAARN O=C(Cn1ccc2c(nnc3ccnn32)c1=O)Nc1ccccn1 ZINC000079478876 185173453 /nfs/dbraw/zinc/17/34/53/185173453.db2.gz YDNNTQSOAFZDMT-UHFFFAOYSA-N 0 0 321.300 0.473 50 0 DCAARN CN(C)[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)c1c(F)cccc1F ZINC000079363146 185167228 /nfs/dbraw/zinc/16/72/28/185167228.db2.gz OTBPEGPDEOGYOF-RYUDHWBXSA-N 0 0 311.332 0.962 50 0 DCAARN Cc1cn2c(n1)CC[C@H](NS(=O)(=O)CCOC(C)C)C2 ZINC000090168438 185284583 /nfs/dbraw/zinc/28/45/83/185284583.db2.gz BPIPNVIEVRQNFC-LBPRGKRZSA-N 0 0 301.412 0.851 50 0 DCAARN Cc1[nH]nc2ncc(NC(=O)[C@H](C)N3CCN(C)CC3)cc12 ZINC000090417658 185295056 /nfs/dbraw/zinc/29/50/56/185295056.db2.gz GXHSSLNYPZLHET-NSHDSACASA-N 0 0 302.382 0.841 50 0 DCAARN CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(F)cc2)C1 ZINC000092570280 185326567 /nfs/dbraw/zinc/32/65/67/185326567.db2.gz TYFUPZMNMQVYMZ-GFCCVEGCSA-N 0 0 300.355 0.980 50 0 DCAARN CCCCS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000006938210 190626876 /nfs/dbraw/zinc/62/68/76/190626876.db2.gz IKPZWLHWSDNVBT-UHFFFAOYSA-N 0 0 306.409 0.554 50 0 DCAARN COC(=O)N[C@H](C)C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000082125773 192358749 /nfs/dbraw/zinc/35/87/49/192358749.db2.gz PWFKCJPXVWMJRN-GFCCVEGCSA-N 0 0 319.361 0.915 50 0 DCAARN C[C@H]1CN(CC(=O)NC(=O)NCCc2cccs2)CCO1 ZINC000012344042 190635382 /nfs/dbraw/zinc/63/53/82/190635382.db2.gz SNTVPYVIYUVZSI-NSHDSACASA-N 0 0 311.407 0.837 50 0 DCAARN O=C(NCCCn1cnnc1)c1cnc(-c2cccnc2)nc1 ZINC000095391751 185351804 /nfs/dbraw/zinc/35/18/04/185351804.db2.gz NRDMIHXRMQGKIJ-UHFFFAOYSA-N 0 0 309.333 0.950 50 0 DCAARN CC1(C)CN(C(=O)c2cnc3ccccn23)CCS1(=O)=O ZINC000095417051 185359395 /nfs/dbraw/zinc/35/93/95/185359395.db2.gz PRDDCPQCBVPQKE-UHFFFAOYSA-N 0 0 307.375 0.984 50 0 DCAARN CCc1nn(C)c(CC)c1CC(=O)N1C[C@H](F)C[C@H]1C(N)=O ZINC000299746395 529764815 /nfs/dbraw/zinc/76/48/15/529764815.db2.gz XCDNKIGIRNFRDA-RNCFNFMXSA-N 0 0 310.373 0.512 50 0 DCAARN Cc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2O)c(C)c1 ZINC000095450340 185368770 /nfs/dbraw/zinc/36/87/70/185368770.db2.gz KXTZSQLRFBRADN-ZYHUDNBSSA-N 0 0 304.389 0.235 50 0 DCAARN O=C(NCc1cn[nH]n1)c1cccc(N2CCCNC2=O)c1 ZINC000097011727 185396912 /nfs/dbraw/zinc/39/69/12/185396912.db2.gz LSDSGBKXZCRHMO-UHFFFAOYSA-N 0 0 300.322 0.654 50 0 DCAARN Cc1nc(C[C@H]2CCCN(c3ccc(C(N)=O)nn3)C2)no1 ZINC000097047794 185403146 /nfs/dbraw/zinc/40/31/46/185403146.db2.gz VUUBQCVJSYESAP-SNVBAGLBSA-N 0 0 302.338 0.726 50 0 DCAARN O=c1c2ccncc2ncn1C[C@H](O)COCc1ccco1 ZINC000097080170 185406238 /nfs/dbraw/zinc/40/62/38/185406238.db2.gz QPDDTMVTUBYLFK-NSHDSACASA-N 0 0 301.302 0.962 50 0 DCAARN Cc1cccc(OCC(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)c1 ZINC000103278813 185443438 /nfs/dbraw/zinc/44/34/38/185443438.db2.gz IWSJZPMICXRIHO-ZDUSSCGKSA-N 0 0 302.330 0.780 50 0 DCAARN COC(=O)[C@@H](C)NC(=O)NCc1ccc2c(c1)CCN2C(C)=O ZINC000064968948 190706109 /nfs/dbraw/zinc/70/61/09/190706109.db2.gz CKAGRVLLGPKVPS-SNVBAGLBSA-N 0 0 319.361 0.956 50 0 DCAARN CNC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1Cl ZINC000226743907 201784939 /nfs/dbraw/zinc/78/49/39/201784939.db2.gz JNGWRLOLCYORDU-UHFFFAOYSA-N 0 0 318.782 0.906 50 0 DCAARN Cc1ccc(C)c(CC(=O)NCCCN2C(=O)CNC2=O)c1 ZINC000108283187 185506251 /nfs/dbraw/zinc/50/62/51/185506251.db2.gz UGERYPMRBBYCQR-UHFFFAOYSA-N 0 0 303.362 0.904 50 0 DCAARN COC(=O)c1cc(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)n(C)n1 ZINC000067691808 190714277 /nfs/dbraw/zinc/71/42/77/190714277.db2.gz VEMBHVXAZRGVSD-SNVBAGLBSA-N 0 0 317.349 0.950 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000170619448 197793476 /nfs/dbraw/zinc/79/34/76/197793476.db2.gz IQXZVTBEMKICTR-JSGCOSHPSA-N 0 0 315.377 0.667 50 0 DCAARN NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cn2cccnc2n1 ZINC000069743237 190812376 /nfs/dbraw/zinc/81/23/76/190812376.db2.gz KYORGMICFRBNBQ-GFCCVEGCSA-N 0 0 309.329 0.556 50 0 DCAARN CCOC(=O)CSCCn1ncc(C(=O)OCC)c1N ZINC000069811788 190822180 /nfs/dbraw/zinc/82/21/80/190822180.db2.gz REVDHCMZICKGCA-UHFFFAOYSA-N 0 0 301.368 0.938 50 0 DCAARN COC(CNC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1)OC ZINC000070641326 190909997 /nfs/dbraw/zinc/90/99/97/190909997.db2.gz IYPUFJNGVRSOCP-ZDUSSCGKSA-N 0 0 322.361 0.149 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)c3cn(C)nc3C)CCO2)[nH]1 ZINC000083830041 192385281 /nfs/dbraw/zinc/38/52/81/192385281.db2.gz FYFJNIAOCNRKHN-NSHDSACASA-N 0 0 304.354 0.623 50 0 DCAARN O=C([O-])C[C@H]1C[NH2+]CCN(C(=O)c2cccc3c2OCC3)C1 ZINC000071748367 191020991 /nfs/dbraw/zinc/02/09/91/191020991.db2.gz WUDHCSWCMWQUAL-NSHDSACASA-N 0 0 304.346 0.758 50 0 DCAARN CCn1cc(S(=O)(=O)N2CCO[C@@H](C(F)(F)F)C2)cn1 ZINC000071754453 191024303 /nfs/dbraw/zinc/02/43/03/191024303.db2.gz HLFCJIKIKLDVCM-SECBINFHSA-N 0 0 313.301 0.855 50 0 DCAARN O=C(c1ccc(-c2nc[nH]n2)cc1)N1CC[C@H](CO)[C@@H](O)C1 ZINC000072122578 191040112 /nfs/dbraw/zinc/04/01/12/191040112.db2.gz SSKDVIZUTRBJTD-OLZOCXBDSA-N 0 0 302.334 0.287 50 0 DCAARN CCc1c(C)nn(CCNC(=O)c2cn3c(n2)CNCC3)c1C ZINC000072121684 191040886 /nfs/dbraw/zinc/04/08/86/191040886.db2.gz WISPYPSXUPGWHF-UHFFFAOYSA-N 0 0 316.409 0.792 50 0 DCAARN C[C@@H](NS(=O)(=O)NCc1ccccc1)c1nnc(N)s1 ZINC000072131734 191045110 /nfs/dbraw/zinc/04/51/10/191045110.db2.gz JNBCEZXAAWYXBA-MRVPVSSYSA-N 0 0 313.408 0.806 50 0 DCAARN CNC(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl ZINC000072135503 191046820 /nfs/dbraw/zinc/04/68/20/191046820.db2.gz AJJCDCGUTKUGHP-LBPRGKRZSA-N 0 0 313.760 0.916 50 0 DCAARN CN1C[C@@]2(CCN(C(=O)CCn3ccccc3=O)C2)OC1=O ZINC000072155934 191059651 /nfs/dbraw/zinc/05/96/51/191059651.db2.gz KOGVEOULSYVYDW-OAHLLOKOSA-N 0 0 305.334 0.292 50 0 DCAARN O=S(=O)(NCc1nnc2n1CCCC2)NCc1ccccc1 ZINC000072156537 191059754 /nfs/dbraw/zinc/05/97/54/191059754.db2.gz KZQVAGQGLKHWMX-UHFFFAOYSA-N 0 0 321.406 0.739 50 0 DCAARN CCn1ccc(C(=O)N2CCC[C@]3(CNC(=O)O3)CC2)cc1=O ZINC000072157669 191061363 /nfs/dbraw/zinc/06/13/63/191061363.db2.gz BNFBLDCWESKBJR-MRXNPFEDSA-N 0 0 319.361 0.973 50 0 DCAARN O=S(=O)(Nc1ccc(-n2cnnn2)cc1)[C@H]1CCCC[C@@H]1O ZINC000072232508 191079768 /nfs/dbraw/zinc/07/97/68/191079768.db2.gz NKYYCXSMSVUJQB-STQMWFEESA-N 0 0 323.378 0.708 50 0 DCAARN COc1ccc([C@H]2[C@H](C(=O)NCCO)CCC(=O)N2C)cc1 ZINC000072241995 191085112 /nfs/dbraw/zinc/08/51/12/191085112.db2.gz DSXYKMVGHXBEMK-HIFRSBDPSA-N 0 0 306.362 0.713 50 0 DCAARN COCCS(=O)(=O)NCc1ccc(OC)c(C(=O)OC)c1 ZINC000072273681 191095010 /nfs/dbraw/zinc/09/50/10/191095010.db2.gz HRQKRLUDNRPBNJ-UHFFFAOYSA-N 0 0 317.363 0.548 50 0 DCAARN Cc1ccc(N2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)nn1 ZINC000072279590 191100374 /nfs/dbraw/zinc/10/03/74/191100374.db2.gz ILKKCVVCNOCVJF-UHFFFAOYSA-N 0 0 313.361 0.826 50 0 DCAARN Cn1cc(S(=O)(=O)N(CC(C)(C)O)C2CC2)cc1C(N)=O ZINC000188038206 186247645 /nfs/dbraw/zinc/24/76/45/186247645.db2.gz SWNGBOXHUNBDOG-UHFFFAOYSA-N 0 0 315.395 0.048 50 0 DCAARN Brc1cnn(Cc2noc(CCn3cncn3)n2)c1 ZINC000225598121 186281305 /nfs/dbraw/zinc/28/13/05/186281305.db2.gz IFRGIVMESXBCMA-UHFFFAOYSA-N 0 0 324.142 0.911 50 0 DCAARN NC(=O)[C@H](O)CNc1ccccc1S(=O)(=O)C(F)(F)F ZINC000225648525 186286600 /nfs/dbraw/zinc/28/66/00/186286600.db2.gz HJSKTFYVTYKSAW-SSDOTTSWSA-N 0 0 312.269 0.238 50 0 DCAARN COc1ccc([C@@H](NC(=O)C2(CO)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000253378525 186302642 /nfs/dbraw/zinc/30/26/42/186302642.db2.gz PSXLRJDZZPLZHO-MBNYWOFBSA-N 0 0 306.362 0.791 50 0 DCAARN O=C(N[C@H]1CC[C@H](Oc2ncccn2)CC1)[C@@H]1CCC(=O)N1 ZINC000253394265 186304392 /nfs/dbraw/zinc/30/43/92/186304392.db2.gz AZKNCSVYLVJACV-SRVKXCTJSA-N 0 0 304.350 0.561 50 0 DCAARN CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCOCC1 ZINC000072313971 191120975 /nfs/dbraw/zinc/12/09/75/191120975.db2.gz QSXKDUYISLXIKL-NSHDSACASA-N 0 0 320.411 0.370 50 0 DCAARN O=C1CCCN1c1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1 ZINC000082350679 545696179 /nfs/dbraw/zinc/69/61/79/545696179.db2.gz PKXBYOOYJIKFHM-NSHDSACASA-N 0 0 310.375 0.881 50 0 DCAARN COc1cc(C(=O)NC(=S)NC(N)=O)cc(OC)c1OC ZINC000000066965 180682240 /nfs/dbraw/zinc/68/22/40/180682240.db2.gz FXVJDHHZSCFJNQ-UHFFFAOYSA-N 0 0 313.335 0.395 50 0 DCAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000072409450 191154442 /nfs/dbraw/zinc/15/44/42/191154442.db2.gz LIWPFRBJIOAASS-NSHDSACASA-N 0 0 315.333 0.719 50 0 DCAARN O=c1cc2c(nn1CN1CCN(c3ncccn3)CC1)CCC2 ZINC000072404387 191152364 /nfs/dbraw/zinc/15/23/64/191152364.db2.gz RIGYLSUAVLXEHG-UHFFFAOYSA-N 0 0 312.377 0.302 50 0 DCAARN O=C(CO)N1CCC[C@@H](c2cc(N3CCOCC3)ncn2)C1 ZINC000072425267 191160108 /nfs/dbraw/zinc/16/01/08/191160108.db2.gz VXPRQVYMNHQBKC-GFCCVEGCSA-N 0 0 306.366 0.012 50 0 DCAARN O=C(CO)N1CCC[C@H](c2cc(N3CCOCC3)ncn2)C1 ZINC000072425268 191160111 /nfs/dbraw/zinc/16/01/11/191160111.db2.gz VXPRQVYMNHQBKC-LBPRGKRZSA-N 0 0 306.366 0.012 50 0 DCAARN CCCCc1ncc(C[N@@H+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)[nH]1 ZINC000072432427 191164963 /nfs/dbraw/zinc/16/49/63/191164963.db2.gz OIBCKVWPNWRXSM-XHDPSFHLSA-N 0 0 306.366 0.385 50 0 DCAARN CN(C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCCC[C@H]1O ZINC000072437813 191165502 /nfs/dbraw/zinc/16/55/02/191165502.db2.gz LIHHDSJUWNYDCN-FRRDWIJNSA-N 0 0 318.439 0.420 50 0 DCAARN CCNC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]cn2)C1 ZINC000072478452 191180190 /nfs/dbraw/zinc/18/01/90/191180190.db2.gz UVXCHGDTZSBUHE-GXTWGEPZSA-N 0 0 319.409 0.995 50 0 DCAARN O=C(COc1nsnc1N1CCOCC1)NC1CCCC1 ZINC000001425631 180865366 /nfs/dbraw/zinc/86/53/66/180865366.db2.gz HZMIJHVZGXOKKX-UHFFFAOYSA-N 0 0 312.395 0.812 50 0 DCAARN O=C(NCCNC(=O)[C@H]1CCCNC1=O)c1ccc(Cl)cc1 ZINC000002450163 180924061 /nfs/dbraw/zinc/92/40/61/180924061.db2.gz SOCKAZVPAIAPEI-LBPRGKRZSA-N 0 0 323.780 0.712 50 0 DCAARN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cn(C)nc2C)C1 ZINC000002804129 180960127 /nfs/dbraw/zinc/96/01/27/180960127.db2.gz WSOFUYSDMXGZIG-NSHDSACASA-N 0 0 315.395 0.692 50 0 DCAARN CN(C(=O)Cn1cnc2c(cnn2C)c1=O)C1CCCCC1 ZINC000003329579 181006315 /nfs/dbraw/zinc/00/63/15/181006315.db2.gz OHQWKASTKOYBFM-UHFFFAOYSA-N 0 0 303.366 0.921 50 0 DCAARN CC(=O)NCCNC(=O)CCNC(=O)c1ccc(Cl)cc1 ZINC000003338660 181008597 /nfs/dbraw/zinc/00/85/97/181008597.db2.gz GFLVFBNMYQWPRJ-UHFFFAOYSA-N 0 0 311.769 0.712 50 0 DCAARN CCNS(=O)(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000175661625 198500055 /nfs/dbraw/zinc/50/00/55/198500055.db2.gz AHIVNORDSOPANO-LLVKDONJSA-N 0 0 317.798 0.889 50 0 DCAARN Cn1cccc1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000003437369 181019320 /nfs/dbraw/zinc/01/93/20/181019320.db2.gz QAHVTJBRULDPRC-UHFFFAOYSA-N 0 0 314.301 0.990 50 0 DCAARN Cc1nnc(SCCN2C(=O)c3ccccc3C2=O)n1N ZINC000003486443 181025726 /nfs/dbraw/zinc/02/57/26/181025726.db2.gz YOWOMWYKQIUHCM-UHFFFAOYSA-N 0 0 303.347 0.689 50 0 DCAARN CC(C)CCNC(=O)NC(=O)COC(=O)C1=COCCO1 ZINC000004166923 181081290 /nfs/dbraw/zinc/08/12/90/181081290.db2.gz GBSJJSATIWVEIP-UHFFFAOYSA-N 0 0 300.311 0.290 50 0 DCAARN CCOC(=O)CSc1[nH]c(=O)nc(C)c1C(=O)OCC ZINC000004317559 181097237 /nfs/dbraw/zinc/09/72/37/181097237.db2.gz SYNKQKOREXGVHL-UHFFFAOYSA-N 0 0 300.336 0.910 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)OC)cc1 ZINC000004463230 181110676 /nfs/dbraw/zinc/11/06/76/181110676.db2.gz GYCCGHUUTAWRQH-MRVPVSSYSA-N 0 0 308.290 0.474 50 0 DCAARN CCn1c(CN2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004453297 181110752 /nfs/dbraw/zinc/11/07/52/181110752.db2.gz FCYYJCLEODMHQG-UHFFFAOYSA-N 0 0 305.382 0.440 50 0 DCAARN O=C1C[C@H](N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1 ZINC000004704081 181139812 /nfs/dbraw/zinc/13/98/12/181139812.db2.gz UWGCHUFCLBTXLT-NSHDSACASA-N 0 0 316.386 0.833 50 0 DCAARN Cc1ccccc1C(=O)NC(=S)N[C@@H]1CCS(=O)(=O)C1 ZINC000004756041 181148764 /nfs/dbraw/zinc/14/87/64/181148764.db2.gz RFUAQDJKGIRBRF-SNVBAGLBSA-N 0 0 312.416 0.786 50 0 DCAARN COC(=O)C1=C[C@@]2(CC(=O)N(c3ccc(F)cc3)C2=O)NN1 ZINC000004776543 181151371 /nfs/dbraw/zinc/15/13/71/181151371.db2.gz QKUGOUZJAYXSSK-AWEZNQCLSA-N 0 0 305.265 0.350 50 0 DCAARN CCOC(=O)C1=C[C@]2(CC(=O)N(c3ccc(C)cc3)C2=O)NN1 ZINC000004889168 181168510 /nfs/dbraw/zinc/16/85/10/181168510.db2.gz NBXUNGWBJHGRGB-MRXNPFEDSA-N 0 0 315.329 0.910 50 0 DCAARN O=CN(CCN(C=O)CN1CCCCC1)CN1CCCCC1 ZINC000004872697 181167129 /nfs/dbraw/zinc/16/71/29/181167129.db2.gz LVRJYOIKHPLLSZ-UHFFFAOYSA-N 0 0 310.442 0.790 50 0 DCAARN O=C(CCCN1C(=O)c2ccccc2C1=O)O[C@H]1CCOC1=O ZINC000005020690 181191917 /nfs/dbraw/zinc/19/19/17/181191917.db2.gz SHTUYJIZJVHBJE-LBPRGKRZSA-N 0 0 317.297 0.922 50 0 DCAARN CCN(Cc1cc(=O)c(OC)co1)[C@@H]1CCS(=O)(=O)C1 ZINC000077406804 191710063 /nfs/dbraw/zinc/71/00/63/191710063.db2.gz GQXDKUFRCMQRHW-SNVBAGLBSA-N 0 0 301.364 0.657 50 0 DCAARN CCCNC(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 ZINC000077420232 191712473 /nfs/dbraw/zinc/71/24/73/191712473.db2.gz PYNHZNIORLZMPV-ZDUSSCGKSA-N 0 0 323.397 0.085 50 0 DCAARN O=C(COC(=O)c1n[nH]c(=O)c2ccccc21)N1CCCC1 ZINC000005166075 181212627 /nfs/dbraw/zinc/21/26/27/181212627.db2.gz TXRNUTWQCKSEMF-UHFFFAOYSA-N 0 0 301.302 0.702 50 0 DCAARN CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C[C@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000005215805 181217601 /nfs/dbraw/zinc/21/76/01/181217601.db2.gz CWKHMXLOOBRICA-MNLSVMLLSA-N 0 0 321.373 0.901 50 0 DCAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCO)cc1 ZINC000005591620 181261287 /nfs/dbraw/zinc/26/12/87/181261287.db2.gz QKOFZBYHLLYPCU-UHFFFAOYSA-N 0 0 300.380 0.439 50 0 DCAARN CCn1nnc2cc(C(=O)OCC(=O)N3CCNC3=O)ccc21 ZINC000005805027 181284883 /nfs/dbraw/zinc/28/48/83/181284883.db2.gz XCPJYQZHOKYIIW-UHFFFAOYSA-N 0 0 317.305 0.160 50 0 DCAARN NC(=O)Nc1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1 ZINC000005860967 181290651 /nfs/dbraw/zinc/29/06/51/181290651.db2.gz JXVDVLVTBGUDLJ-UHFFFAOYSA-N 0 0 305.290 0.483 50 0 DCAARN CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c(C)noc1C ZINC000024686402 290554448 /nfs/dbraw/zinc/55/44/48/290554448.db2.gz PDTBZEGCFHQHQB-JTQLQIEISA-N 0 0 301.368 0.581 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(N)=O)ccc1Cl ZINC000005878096 181292703 /nfs/dbraw/zinc/29/27/03/181292703.db2.gz ZNIAKGPEICZJQA-ZCFIWIBFSA-N 0 0 320.754 0.279 50 0 DCAARN C[C@H](NC(N)=O)C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000006754156 299266458 /nfs/dbraw/zinc/26/64/58/299266458.db2.gz YKVGPAGAWKMTBC-HMHCLHNZSA-N 0 0 323.393 0.671 50 0 DCAARN Cc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)c(=O)[nH]1 ZINC000089568533 192818152 /nfs/dbraw/zinc/81/81/52/192818152.db2.gz REMZCOAKMZZQES-GFCCVEGCSA-N 0 0 305.378 0.865 50 0 DCAARN CC(C)C(=O)NCCN(C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000157656947 291229155 /nfs/dbraw/zinc/22/91/55/291229155.db2.gz CNURVWWNFOLRTP-ZDUSSCGKSA-N 0 0 307.398 0.229 50 0 DCAARN O=C(Cn1ccnc1)NCCn1c(=O)[nH]c2ccsc2c1=O ZINC000238859159 238157229 /nfs/dbraw/zinc/15/72/29/238157229.db2.gz KIUKAFNGZQLLGP-UHFFFAOYSA-N 0 0 319.346 0.177 50 0 DCAARN Cc1cc(C)n([C@H]2CCN(C(=O)CCNS(C)(=O)=O)C2)n1 ZINC000244723903 202490850 /nfs/dbraw/zinc/49/08/50/202490850.db2.gz MJQUXYXGUQBFJT-LBPRGKRZSA-N 0 0 314.411 0.213 50 0 DCAARN CC[C@H](C(=O)N1CCN(CCn2cncn2)CC1)n1cccn1 ZINC000244873306 202505641 /nfs/dbraw/zinc/50/56/41/202505641.db2.gz WNWAJUTWAPAGPK-CQSZACIVSA-N 0 0 317.397 0.270 50 0 DCAARN Cn1cc(Br)c(=O)n(CC[C@H]2CCCO2)c1=O ZINC000408518481 239271020 /nfs/dbraw/zinc/27/10/20/239271020.db2.gz KAQXSLJQOOISEF-MRVPVSSYSA-N 0 0 303.156 0.879 50 0 DCAARN O=C(NC[C@H]1CCCOC1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000390834644 239251703 /nfs/dbraw/zinc/25/17/03/239251703.db2.gz KMFXDQALBGNNFA-CXAGYDPISA-N 0 0 302.374 0.987 50 0 DCAARN CN1C[C@]2(CCCN(C(=O)c3[nH]nc4c3COCC4)C2)OC1=O ZINC000244900056 202509617 /nfs/dbraw/zinc/50/96/17/202509617.db2.gz ZVFXIPKORMNJED-HNNXBMFYSA-N 0 0 320.349 0.539 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N1CCC(n2nccn2)CC1 ZINC000245174464 202513133 /nfs/dbraw/zinc/51/31/33/202513133.db2.gz YNNKDGXJOITMQC-UHFFFAOYSA-N 0 0 311.367 0.909 50 0 DCAARN O=C(NCc1ccncc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000006590525 181358828 /nfs/dbraw/zinc/35/88/28/181358828.db2.gz LMTCLXXUGPBKQT-UHFFFAOYSA-N 0 0 313.313 0.743 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000006625786 181362361 /nfs/dbraw/zinc/36/23/61/181362361.db2.gz VSZCYBVRPFYQIJ-UHFFFAOYSA-N 0 0 303.311 0.633 50 0 DCAARN CC(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1 ZINC000006680842 181370321 /nfs/dbraw/zinc/37/03/21/181370321.db2.gz UGVHWBOTUAQOAG-UHFFFAOYSA-N 0 0 318.420 0.907 50 0 DCAARN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1nonc1C)CC2 ZINC000091320260 193039287 /nfs/dbraw/zinc/03/92/87/193039287.db2.gz OISKUSOSTDWZPW-OLZOCXBDSA-N 0 0 309.366 0.699 50 0 DCAARN COc1cc(N2C[C@H](NS(C)(=O)=O)[C@@H](C(C)C)C2)ncn1 ZINC000091365285 193046734 /nfs/dbraw/zinc/04/67/34/193046734.db2.gz ODDDULNHZMVOJT-MNOVXSKESA-N 0 0 314.411 0.495 50 0 DCAARN COCc1nc(CNC(=O)c2cc(-c3cccn3C)n[nH]2)no1 ZINC000091439861 193056133 /nfs/dbraw/zinc/05/61/33/193056133.db2.gz ARNUHWCUOHEZQA-UHFFFAOYSA-N 0 0 316.321 0.875 50 0 DCAARN COc1cccc2c1OC[C@@H](C(=O)NCCN1CCOC1=O)C2 ZINC000091519324 193068160 /nfs/dbraw/zinc/06/81/60/193068160.db2.gz LMVUJCDNWKKLEI-LBPRGKRZSA-N 0 0 320.345 0.815 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)NCc1cn2ccsc2n1 ZINC000091604518 193078677 /nfs/dbraw/zinc/07/86/77/193078677.db2.gz KIDMYERBDLHSMI-MRVPVSSYSA-N 0 0 307.335 0.000 50 0 DCAARN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C(=O)c1cccn1C)CC2 ZINC000091475185 193061011 /nfs/dbraw/zinc/06/10/11/193061011.db2.gz XTNTXHUTFUYJGD-KGLIPLIRSA-N 0 0 320.389 0.986 50 0 DCAARN CN(C)c1nc(N)nc(CNC(=O)c2cn3ccsc3n2)n1 ZINC000091664503 193087099 /nfs/dbraw/zinc/08/70/99/193087099.db2.gz PGPOFXMJXGKGJU-UHFFFAOYSA-N 0 0 318.366 0.159 50 0 DCAARN COC[C@H](NC(=O)c1c(C)cc(C)[nH]c1=O)c1ccnn1C ZINC000091746443 193101542 /nfs/dbraw/zinc/10/15/42/193101542.db2.gz CDIOABVPKLGQJL-NSHDSACASA-N 0 0 304.350 0.843 50 0 DCAARN CCOC(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000091695969 193094132 /nfs/dbraw/zinc/09/41/32/193094132.db2.gz MPKJXMROESUMQH-UHFFFAOYSA-N 0 0 312.269 0.942 50 0 DCAARN COCc1noc(CN2CC[C@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091737351 193098960 /nfs/dbraw/zinc/09/89/60/193098960.db2.gz APLHIYVUWKLYHA-HNNXBMFYSA-N 0 0 324.381 0.023 50 0 DCAARN O=C(NC1CCOCC1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000091830625 193113823 /nfs/dbraw/zinc/11/38/23/193113823.db2.gz VCZXYKAMYYXVCF-GFCCVEGCSA-N 0 0 303.362 0.725 50 0 DCAARN COc1cccc(CN2C[C@H](C(=O)NCC(N)=O)CCC2=O)c1 ZINC000091872641 193121423 /nfs/dbraw/zinc/12/14/23/193121423.db2.gz PYGPPJCWSMXEEQ-GFCCVEGCSA-N 0 0 319.361 0.035 50 0 DCAARN CN(CC(=O)[O-])c1ncc(C[N@@H+]2CC[C@](C)(O)C(C)(C)C2)cn1 ZINC000091965389 193133817 /nfs/dbraw/zinc/13/38/17/193133817.db2.gz GIEWCBBGJWBJMQ-INIZCTEOSA-N 0 0 322.409 0.980 50 0 DCAARN CCCc1nc(CNC(=O)CC[C@H]2NC(=O)NC2=O)cs1 ZINC000092099961 193158410 /nfs/dbraw/zinc/15/84/10/193158410.db2.gz REEDUKFHRFDCDR-SECBINFHSA-N 0 0 310.379 0.700 50 0 DCAARN COC[C@@H]1[C@@H](NC(=O)c2nnc3nc(C)ccn32)[C@@H]2CCO[C@H]12 ZINC000220675514 201579449 /nfs/dbraw/zinc/57/94/49/201579449.db2.gz KZGPQWJLLSOQJP-USZNOCQGSA-N 0 0 317.349 0.212 50 0 DCAARN O=C(CCn1ccc(=O)[nH]c1=O)N[C@@H]1COC2(C1)CCCCC2 ZINC000221219931 201583457 /nfs/dbraw/zinc/58/34/57/201583457.db2.gz VTOVBVQLODEUQU-LBPRGKRZSA-N 0 0 321.377 0.535 50 0 DCAARN O=C(CCn1cnnn1)N1CCC[C@H](OCc2cccnc2)C1 ZINC000221365609 201588347 /nfs/dbraw/zinc/58/83/47/201588347.db2.gz WSXGCJDQXNSBDP-AWEZNQCLSA-N 0 0 316.365 0.666 50 0 DCAARN CCn1c(CN2CCOC[C@H]2C(N)=O)nc2c1cccc2F ZINC000092228895 193176494 /nfs/dbraw/zinc/17/64/94/193176494.db2.gz VEMZVKACNFZNPC-LBPRGKRZSA-N 0 0 306.341 0.881 50 0 DCAARN Cn1ccnc(NC(=O)NC(C)(C)C(=O)NCC(C)(C)C)c1=O ZINC000252502198 202856102 /nfs/dbraw/zinc/85/61/02/202856102.db2.gz UNMIGRISKRHVNF-UHFFFAOYSA-N 0 0 323.397 0.843 50 0 DCAARN CCc1nc(CNC(=O)N2CCN3CCOC[C@H]3C2)cs1 ZINC000253419340 202878854 /nfs/dbraw/zinc/87/88/54/202878854.db2.gz MOSJJCCUGGTCTK-GFCCVEGCSA-N 0 0 310.423 0.932 50 0 DCAARN C[C@H](OC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C(=O)N1CCNC1=O ZINC000007633142 181480814 /nfs/dbraw/zinc/48/08/14/181480814.db2.gz FCDXDRIOVQNQPS-WSMDXJOWSA-N 0 0 322.361 0.865 50 0 DCAARN Cc1ncc(S(C)(=O)=O)c(N2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)n1 ZINC000095386599 193441939 /nfs/dbraw/zinc/44/19/39/193441939.db2.gz CIPULHRTQUVJCV-IWDIQUIJSA-N 0 0 309.391 0.802 50 0 DCAARN O=C(CN1C(=O)CCC1=O)Nc1cnn(C2CCOCC2)c1 ZINC000096123339 193546118 /nfs/dbraw/zinc/54/61/18/193546118.db2.gz JWPWZOYHBDTCSH-UHFFFAOYSA-N 0 0 306.322 0.322 50 0 DCAARN CC(C)(C)c1cc(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)[nH]c(=O)n1 ZINC000096162596 193558547 /nfs/dbraw/zinc/55/85/47/193558547.db2.gz GFMJPUZAMBVKKR-XHDPSFHLSA-N 0 0 309.366 0.025 50 0 DCAARN COCCNC(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000096377653 193617504 /nfs/dbraw/zinc/61/75/04/193617504.db2.gz FLTCZBWBYDRADI-UHFFFAOYSA-N 0 0 316.354 0.640 50 0 DCAARN COC(=O)[C@@](C)(O)CNC(=O)CCn1c(=O)oc2ccccc21 ZINC000095942123 284225738 /nfs/dbraw/zinc/22/57/38/284225738.db2.gz RHYBRNLSKNCMBE-HNNXBMFYSA-N 0 0 322.317 0.025 50 0 DCAARN O=C(N[C@H]1CCc2n[nH]c(=O)cc2C1)c1ccc2[nH]cnc2c1 ZINC000225786937 284235859 /nfs/dbraw/zinc/23/58/59/284235859.db2.gz OEMATMONVGIGOK-NSHDSACASA-N 0 0 309.329 0.934 50 0 DCAARN CC(C)NC(=O)CNC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000008167349 181532198 /nfs/dbraw/zinc/53/21/98/181532198.db2.gz RZSOZHMLJUKYQR-UHFFFAOYSA-N 0 0 312.391 0.486 50 0 DCAARN C[C@H]1CN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CCO1 ZINC000011497544 181691505 /nfs/dbraw/zinc/69/15/05/181691505.db2.gz RPFNQXBIDRRXOD-NSHDSACASA-N 0 0 317.345 0.599 50 0 DCAARN CN(C)c1ncc2c(n1)CCC[C@@H]2NC(=O)Cn1cccn1 ZINC000012073340 181725958 /nfs/dbraw/zinc/72/59/58/181725958.db2.gz BQSMQWCAZQJWHG-LBPRGKRZSA-N 0 0 300.366 0.933 50 0 DCAARN Cc1cc(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)no1 ZINC000012792827 181798325 /nfs/dbraw/zinc/79/83/25/181798325.db2.gz DFLHCIAIJCYUMF-LLVKDONJSA-N 0 0 308.338 0.838 50 0 DCAARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccon2)cc1 ZINC000012820313 181802049 /nfs/dbraw/zinc/80/20/49/181802049.db2.gz SRWHPTFRVQMCAJ-UHFFFAOYSA-N 0 0 324.314 0.874 50 0 DCAARN O=C(COc1ccccc1)NCCNC(=O)c1cnccn1 ZINC000013568296 181863222 /nfs/dbraw/zinc/86/32/22/181863222.db2.gz IXXNRUAHQUVOFR-UHFFFAOYSA-N 0 0 300.318 0.402 50 0 DCAARN O=c1c2ccc(Cl)cc2ncn1[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000014198554 181936540 /nfs/dbraw/zinc/93/65/40/181936540.db2.gz ASKKPIVUTWOFDT-MNOVXSKESA-N 0 0 314.750 0.380 50 0 DCAARN C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)OCc3ccccc3)CN2C1=O ZINC000014754915 181969700 /nfs/dbraw/zinc/96/97/00/181969700.db2.gz AHPXTUDAERGHQB-DRZSPHRISA-N 0 0 317.345 0.401 50 0 DCAARN COc1ccc2c(c1)C=C(C(=O)N[C@H]1CCS(=O)(=O)C1)CO2 ZINC000015786318 182017247 /nfs/dbraw/zinc/01/72/47/182017247.db2.gz RLLXCJXLUVOTBB-LBPRGKRZSA-N 0 0 323.370 0.774 50 0 DCAARN C[C@@H]1CN(C(=O)c2cc(N(C)C)nc(N(C)C)n2)C[C@H](C)O1 ZINC000016080208 182031971 /nfs/dbraw/zinc/03/19/71/182031971.db2.gz RYYLUUBRGYCMRI-PHIMTYICSA-N 0 0 307.398 0.858 50 0 DCAARN COc1ccc(OC)c(CNS(=O)(=O)c2cn(C)cn2)c1 ZINC000015942545 182026138 /nfs/dbraw/zinc/02/61/38/182026138.db2.gz BTYXVGGOKRJDDA-UHFFFAOYSA-N 0 0 311.363 0.916 50 0 DCAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]cn2)cc1 ZINC000015962651 182026712 /nfs/dbraw/zinc/02/67/12/182026712.db2.gz INVXRZWVIRDMPD-UHFFFAOYSA-N 0 0 324.362 0.678 50 0 DCAARN C[C@H](C(=O)N1CCN(C)CC1)N1C(=O)c2ccccc2C1=O ZINC000019314406 182114235 /nfs/dbraw/zinc/11/42/35/182114235.db2.gz FZCGIRNYLGVUGK-LLVKDONJSA-N 0 0 301.346 0.445 50 0 DCAARN NC(=O)c1c2c(sc1NC(=O)CN1CCOCC1)CCCC2 ZINC000019798079 182151170 /nfs/dbraw/zinc/15/11/70/182151170.db2.gz HOQNWHCZVSDJCF-UHFFFAOYSA-N 0 0 323.418 0.997 50 0 DCAARN O=C1C=C(N2CCN(CCO)CC2)C(=O)N1c1ccc(F)cc1 ZINC000019831735 182154912 /nfs/dbraw/zinc/15/49/12/182154912.db2.gz VFNKAOYNIODWLZ-UHFFFAOYSA-N 0 0 319.336 0.193 50 0 DCAARN Cc1nc(C)c(CC(=O)Nc2ccc(C(N)=O)cc2)c(=O)[nH]1 ZINC000019937460 182167331 /nfs/dbraw/zinc/16/73/31/182167331.db2.gz DLWNMSVHMDBBCE-UHFFFAOYSA-N 0 0 300.318 0.667 50 0 DCAARN C[C@H]1CCc2nn(CC(=O)NCCCN3CCOCC3)cc2C1 ZINC000020415901 182215679 /nfs/dbraw/zinc/21/56/79/182215679.db2.gz VKRFGMOQABWLTQ-AWEZNQCLSA-N 0 0 320.437 0.846 50 0 DCAARN O=C(CN1C(=O)c2ccncc2C1=O)N=c1[nH]c2ccccc2[nH]1 ZINC000020427494 182216436 /nfs/dbraw/zinc/21/64/36/182216436.db2.gz JWWYZAIBYXLKFF-UHFFFAOYSA-N 0 0 321.296 0.615 50 0 DCAARN Cn1nc2cccc(NC(=O)N3CCS(=O)(=O)CC3)c2n1 ZINC000097713725 193749753 /nfs/dbraw/zinc/74/97/53/193749753.db2.gz TUUOKEIKJVLUMQ-UHFFFAOYSA-N 0 0 309.351 0.231 50 0 DCAARN Cc1ccc2oc(=O)n(CCC(=O)N3CCN(C)C(=O)C3)c2c1 ZINC000020515676 182226763 /nfs/dbraw/zinc/22/67/63/182226763.db2.gz QBVFGWZAJGAJRD-UHFFFAOYSA-N 0 0 317.345 0.594 50 0 DCAARN O=C(CN1CCNC1=O)N1CCC[C@H](OCc2ccccn2)C1 ZINC000020668355 182241747 /nfs/dbraw/zinc/24/17/47/182241747.db2.gz HOBMBLKRTMQDHE-AWEZNQCLSA-N 0 0 318.377 0.614 50 0 DCAARN COc1ccccc1OC[C@@H](O)CN1CCN(CCO)CC1 ZINC000020819605 182247860 /nfs/dbraw/zinc/24/78/60/182247860.db2.gz IJWOTKAOBJCXNC-AWEZNQCLSA-N 0 0 310.394 0.045 50 0 DCAARN CC1(C)NC(=O)N(CCS(=O)(=O)Oc2ccccc2)C1=O ZINC000021558940 182280583 /nfs/dbraw/zinc/28/05/83/182280583.db2.gz KGSPZHHXWJEBNJ-UHFFFAOYSA-N 0 0 312.347 0.726 50 0 DCAARN Cn1c2nc(Cl)n(C[C@@H]3CCCCO3)c2c(=O)n(C)c1=O ZINC000021838537 182294892 /nfs/dbraw/zinc/29/48/92/182294892.db2.gz FBSAGNGJDAZFLH-QMMMGPOBSA-N 0 0 312.757 0.656 50 0 DCAARN Cc1ccc(C(=O)NCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000022550335 182326095 /nfs/dbraw/zinc/32/60/95/182326095.db2.gz ASTYVJZGXPDEGH-HNNXBMFYSA-N 0 0 324.402 0.418 50 0 DCAARN CCCCn1c(=O)[nH]nc1SCC(=O)NCCCOC ZINC000022615660 182328655 /nfs/dbraw/zinc/32/86/55/182328655.db2.gz WRYULLFCUPNMKU-UHFFFAOYSA-N 0 0 302.400 0.616 50 0 DCAARN O=C(c1ccoc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000023102582 182347903 /nfs/dbraw/zinc/34/79/03/182347903.db2.gz OBOMIZAWQAITRH-UHFFFAOYSA-N 0 0 313.379 0.378 50 0 DCAARN CC(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 ZINC000023134486 182349988 /nfs/dbraw/zinc/34/99/88/182349988.db2.gz YFKFXFKLVVKGOJ-UHFFFAOYSA-N 0 0 304.329 0.466 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000023743548 182367620 /nfs/dbraw/zinc/36/76/20/182367620.db2.gz NXKBDARMDKQCGR-SNVBAGLBSA-N 0 0 308.381 0.147 50 0 DCAARN CS(=O)(=O)N1CCC(Nc2cc(Cl)nc(N)n2)CC1 ZINC000024056884 182374380 /nfs/dbraw/zinc/37/43/80/182374380.db2.gz VSODZQIBZGCUDX-UHFFFAOYSA-N 0 0 305.791 0.548 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)NCC[C@@H]2CCCO2)cc1 ZINC000024433524 182380885 /nfs/dbraw/zinc/38/08/85/182380885.db2.gz QJDDJDBEOGCBBU-LBPRGKRZSA-N 0 0 312.391 0.894 50 0 DCAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)CCn1cncn1 ZINC000024678712 182386971 /nfs/dbraw/zinc/38/69/71/182386971.db2.gz KGWUVGBYZCSYNZ-UHFFFAOYSA-N 0 0 305.313 0.904 50 0 DCAARN Cn1cnnc1C1CCN(C(=O)c2ccn(C)c(=O)c2)CC1 ZINC000024694464 182387775 /nfs/dbraw/zinc/38/77/75/182387775.db2.gz ZGJNVEHIHBOBBA-UHFFFAOYSA-N 0 0 301.350 0.534 50 0 DCAARN O=C(CN1CCN(C(=O)c2ccoc2)CC1)NCC(F)(F)F ZINC000027467931 182473557 /nfs/dbraw/zinc/47/35/57/182473557.db2.gz XUSUPOIOOGCCIM-UHFFFAOYSA-N 0 0 319.283 0.716 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)c1cccnc1 ZINC000028006625 182503683 /nfs/dbraw/zinc/50/36/83/182503683.db2.gz ADWMQKCUQFWVCU-SECBINFHSA-N 0 0 302.334 0.577 50 0 DCAARN CCN1CCn2c(=O)n(Cc3ccc(OC)cc3)nc2C1=O ZINC000098213020 193792404 /nfs/dbraw/zinc/79/24/04/193792404.db2.gz GADJAHGYBSLFIN-UHFFFAOYSA-N 0 0 302.334 0.577 50 0 DCAARN C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCN(c2nccs2)CC1 ZINC000031537504 182615236 /nfs/dbraw/zinc/61/52/36/182615236.db2.gz AAOXOMDJANNKQZ-VXGBXAGGSA-N 0 0 322.434 0.954 50 0 DCAARN CS(=O)(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000032776890 182662051 /nfs/dbraw/zinc/66/20/51/182662051.db2.gz DPXCHRVXCXHWAD-UHFFFAOYSA-N 0 0 300.355 0.933 50 0 DCAARN O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1cccc(F)c1 ZINC000032689011 182654710 /nfs/dbraw/zinc/65/47/10/182654710.db2.gz WBZWLDYDFWNIIJ-UHFFFAOYSA-N 0 0 305.265 0.717 50 0 DCAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCc1ccccn1 ZINC000036589888 182827869 /nfs/dbraw/zinc/82/78/69/182827869.db2.gz QAXQJGIKZBICHL-CQSZACIVSA-N 0 0 324.340 0.839 50 0 DCAARN O=c1c(=O)c(N2CCN(c3ccccc3)CC2)c1NCCO ZINC000101691659 193835071 /nfs/dbraw/zinc/83/50/71/193835071.db2.gz DKRZQAFAIONQLP-UHFFFAOYSA-N 0 0 301.346 0.013 50 0 DCAARN Cc1cc(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)cn1 ZINC000038509428 183000762 /nfs/dbraw/zinc/00/07/62/183000762.db2.gz DIRKSWOFQMQFMN-UHFFFAOYSA-N 0 0 301.302 0.597 50 0 DCAARN O=C(NCCn1ncccc1=O)[C@@H]1COc2ccccc2O1 ZINC000038510229 183001199 /nfs/dbraw/zinc/00/11/99/183001199.db2.gz GKGLUJWVIIJLAW-ZDUSSCGKSA-N 0 0 301.302 0.200 50 0 DCAARN O=C(CN1C(=O)CCC1=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000038936612 183013707 /nfs/dbraw/zinc/01/37/07/183013707.db2.gz BOSOGOWZSNMTHA-NSHDSACASA-N 0 0 310.350 0.327 50 0 DCAARN Cc1nn(C)c(C)c1NC(=O)C(=O)NCCCn1ccnc1 ZINC000040266583 183049458 /nfs/dbraw/zinc/04/94/58/183049458.db2.gz NPVPZLHCKHSICU-UHFFFAOYSA-N 0 0 304.354 0.378 50 0 DCAARN Cc1nnnn1-c1cccc(NC(=O)C(=O)NCC2CC2)c1 ZINC000040287574 183052117 /nfs/dbraw/zinc/05/21/17/183052117.db2.gz KHITYZKDMXRWTB-UHFFFAOYSA-N 0 0 300.322 0.435 50 0 DCAARN CN1N=C(C(=O)N2CCN(Cc3ccccn3)CC2)CCC1=O ZINC000040474124 183074467 /nfs/dbraw/zinc/07/44/67/183074467.db2.gz TYOCIVDVNLMQHL-UHFFFAOYSA-N 0 0 315.377 0.334 50 0 DCAARN O=C(CNC(=O)Nc1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000040477890 183075834 /nfs/dbraw/zinc/07/58/34/183075834.db2.gz GNCKJBJUZLSKMW-NSHDSACASA-N 0 0 311.363 0.111 50 0 DCAARN NC(=O)Cc1csc(NC(=O)Cn2nnc3ccccc32)n1 ZINC000040481057 183076486 /nfs/dbraw/zinc/07/64/86/183076486.db2.gz NVRXUJOGLYVTND-UHFFFAOYSA-N 0 0 316.346 0.554 50 0 DCAARN CNS(=O)(=O)c1ccc(NC(=S)N2CCOCC2)cc1 ZINC000040488450 183078390 /nfs/dbraw/zinc/07/83/90/183078390.db2.gz VWDRTWRJAHLQIP-UHFFFAOYSA-N 0 0 315.420 0.624 50 0 DCAARN C[C@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)C[C@H](C)O1 ZINC000040489985 183079690 /nfs/dbraw/zinc/07/96/90/183079690.db2.gz VVASZPPLXPTWMY-RYUDHWBXSA-N 0 0 303.362 0.799 50 0 DCAARN CCCc1nc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cs1 ZINC000040489907 183079746 /nfs/dbraw/zinc/07/97/46/183079746.db2.gz CLMJFTGLGWUZOS-UHFFFAOYSA-N 0 0 319.390 0.891 50 0 DCAARN O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cccnc1 ZINC000040490224 183080021 /nfs/dbraw/zinc/08/00/21/183080021.db2.gz MRONVTYCXJVCEC-HIFRSBDPSA-N 0 0 320.393 0.940 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cn(-c2ccccc2)nn1 ZINC000040508817 183086255 /nfs/dbraw/zinc/08/62/55/183086255.db2.gz XQOCGCKTFNUTSM-NSHDSACASA-N 0 0 320.374 0.432 50 0 DCAARN NC(=O)[C@H]1CC(C(=O)Nc2cn[nH]c2)=NN1c1ccc(F)cc1 ZINC000040512213 183087564 /nfs/dbraw/zinc/08/75/64/183087564.db2.gz NEBQGGCMKJZKIP-GFCCVEGCSA-N 0 0 316.296 0.608 50 0 DCAARN C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccccc1F ZINC000040513903 183088921 /nfs/dbraw/zinc/08/89/21/183088921.db2.gz ARLBMSATUKCDLR-JTQLQIEISA-N 0 0 305.309 0.564 50 0 DCAARN CN(C1CCCCC1)S(=O)(=O)N[C@H]1CCCCNC1=O ZINC000040527144 183093351 /nfs/dbraw/zinc/09/33/51/183093351.db2.gz UHFVCDWNDRDOCM-LBPRGKRZSA-N 0 0 303.428 0.754 50 0 DCAARN CC(C)[C@H](CNS(=O)(=O)c1cnn(C)c1)N1CCOCC1 ZINC000040528097 183093372 /nfs/dbraw/zinc/09/33/72/183093372.db2.gz FHMQBXWFOJSZDJ-ZDUSSCGKSA-N 0 0 316.427 0.055 50 0 DCAARN CC(C)[C@H](NC(N)=O)C(=O)NCc1ccc2c(c1)OCCO2 ZINC000040457486 183069069 /nfs/dbraw/zinc/06/90/69/183069069.db2.gz CFDFHOUULCCFBB-ZDUSSCGKSA-N 0 0 307.350 0.767 50 0 DCAARN CCN(Cc1ccco1)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000040540554 183097414 /nfs/dbraw/zinc/09/74/14/183097414.db2.gz YGXVLEKWKBDJKM-VXGBXAGGSA-N 0 0 314.407 0.793 50 0 DCAARN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CCOCC1 ZINC000040549689 183099805 /nfs/dbraw/zinc/09/98/05/183099805.db2.gz BLEXONFFLXHIGF-UHFFFAOYSA-N 0 0 323.740 0.797 50 0 DCAARN CCOc1ccc(S(=O)(=O)N(CCO)CCO)cc1C ZINC000040764529 183131868 /nfs/dbraw/zinc/13/18/68/183131868.db2.gz VSTIQSAYDKNGJB-UHFFFAOYSA-N 0 0 303.380 0.369 50 0 DCAARN COc1ccc2c(ccn2CC(=O)N2CC[C@@H](C(N)=O)C2)c1 ZINC000041129266 183170461 /nfs/dbraw/zinc/17/04/61/183170461.db2.gz MLSSYCBIBUYPMC-GFCCVEGCSA-N 0 0 301.346 0.984 50 0 DCAARN CCS(=O)(=O)c1ccccc1C(=O)NCCCn1cncn1 ZINC000041863047 183222770 /nfs/dbraw/zinc/22/27/70/183222770.db2.gz LQIYDNHKLOZMOF-UHFFFAOYSA-N 0 0 322.390 0.892 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CC[C@@H]1CCCO1 ZINC000042043186 183230792 /nfs/dbraw/zinc/23/07/92/183230792.db2.gz VKVKQKAVXLXCQK-STQMWFEESA-N 0 0 318.439 0.876 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000042502570 183277872 /nfs/dbraw/zinc/27/78/72/183277872.db2.gz IDHXWDRUBMIVLQ-NWDGAFQWSA-N 0 0 314.411 0.059 50 0 DCAARN CN(Cc1ccncc1)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000042392614 183263748 /nfs/dbraw/zinc/26/37/48/183263748.db2.gz HABCQXURBGDGBM-CYBMUJFWSA-N 0 0 311.407 0.712 50 0 DCAARN Cc1noc(C)c1CN(C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000042870743 183315818 /nfs/dbraw/zinc/31/58/18/183315818.db2.gz IOJFBTZOSCETCX-JTQLQIEISA-N 0 0 301.368 0.620 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)N(C[C@@H]1CCOC1)C1CC1 ZINC000042871934 183316161 /nfs/dbraw/zinc/31/61/61/183316161.db2.gz IYZRXVKEUJIHSP-WDEREUQCSA-N 0 0 302.396 0.384 50 0 DCAARN CC(C)Oc1ccc(C(=O)NC2CCN(CC(N)=O)CC2)cn1 ZINC000043008281 183327026 /nfs/dbraw/zinc/32/70/26/183327026.db2.gz ZSSIZRALAMLDAG-UHFFFAOYSA-N 0 0 320.393 0.548 50 0 DCAARN Cc1ccccc1OCCN(C)C(=O)C[C@H]1NC(=O)NC1=O ZINC000042816595 183311955 /nfs/dbraw/zinc/31/19/55/183311955.db2.gz IVJQHFHXEQLKCZ-LLVKDONJSA-N 0 0 305.334 0.430 50 0 DCAARN Cn1c2ccc(Cn3cnc4nccnc4c3=O)cc2n(C)c1=O ZINC000043082555 183335184 /nfs/dbraw/zinc/33/51/84/183335184.db2.gz PEIDGPVQXVOFOK-UHFFFAOYSA-N 0 0 322.328 0.425 50 0 DCAARN C[C@@H]1CCC[C@H](C)N1C(=O)CS(=O)(=O)c1nncn1C ZINC000044947145 183464759 /nfs/dbraw/zinc/46/47/59/183464759.db2.gz DYEFBKRZYBWOHB-AOOOYVTPSA-N 0 0 300.384 0.378 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCc3ccccc32)CC1 ZINC000045305859 183496557 /nfs/dbraw/zinc/49/65/57/183496557.db2.gz JAZFGZNMCWEPRA-CQSZACIVSA-N 0 0 323.418 0.961 50 0 DCAARN COC(=O)C(C)(C)NC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000046217591 183557584 /nfs/dbraw/zinc/55/75/84/183557584.db2.gz DAZRBWDMYLHYCN-UHFFFAOYSA-N 0 0 305.334 0.898 50 0 DCAARN O=C(CN1CCCC1=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000047229000 183584636 /nfs/dbraw/zinc/58/46/36/183584636.db2.gz XAASFBXCFABDPL-CQSZACIVSA-N 0 0 315.373 0.699 50 0 DCAARN C[C@H](CNC(=O)NCCc1cnn(C)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000106100871 194185036 /nfs/dbraw/zinc/18/50/36/194185036.db2.gz ZWOSCXNMWZCCPZ-MCIONIFRSA-N 0 0 323.441 0.760 50 0 DCAARN CC(C)CN1C[C@H](C(=O)N[C@@H](C)c2nnc3n2CCC3)CC1=O ZINC000048253503 183632893 /nfs/dbraw/zinc/63/28/93/183632893.db2.gz YSDGKYDPVSZEDC-NWDGAFQWSA-N 0 0 319.409 0.906 50 0 DCAARN C[C@@H]1CN(C[C@@H](O)CN2CCc3cncnc3C2)C[C@@H](C)O1 ZINC000106666164 194242449 /nfs/dbraw/zinc/24/24/49/194242449.db2.gz LGNGDBSFWFBMTA-NFAWXSAZSA-N 0 0 306.410 0.305 50 0 DCAARN Cn1ncc2c1ncnc2Nc1cnn(CC(=O)NC2CC2)c1 ZINC000052487551 183861857 /nfs/dbraw/zinc/86/18/57/183861857.db2.gz WDKIEEFCYNKNDZ-UHFFFAOYSA-N 0 0 312.337 0.582 50 0 DCAARN Cc1cc(C)n(CCC(=O)NCCSc2nc[nH]n2)c(=O)n1 ZINC000055090859 183963529 /nfs/dbraw/zinc/96/35/29/183963529.db2.gz YCNHDQPZJRMSSF-UHFFFAOYSA-N 0 0 322.394 0.277 50 0 DCAARN COc1cccc(CCNC(=O)N2CC[C@@H](C(N)=O)C2)c1OC ZINC000056423303 184012246 /nfs/dbraw/zinc/01/22/46/184012246.db2.gz CEUBKJBKKDDQLD-GFCCVEGCSA-N 0 0 321.377 0.763 50 0 DCAARN Cc1c(C(=O)NC(C)(C)C(N)=O)nnn1-c1cccc(C)c1 ZINC000057258408 184031014 /nfs/dbraw/zinc/03/10/14/184031014.db2.gz BRNZKKIBESZLNO-UHFFFAOYSA-N 0 0 301.350 0.878 50 0 DCAARN C[C@@H]1CN(C(=O)c2cc(OCC(=O)N(C)C)n(C)n2)C[C@@H](C)O1 ZINC000057312693 184032881 /nfs/dbraw/zinc/03/28/81/184032881.db2.gz XEYDDMDZDPLGSV-GHMZBOCLSA-N 0 0 324.381 0.137 50 0 DCAARN Cc1nc(NCCNC(=O)c2ncccn2)cc(-n2cccn2)n1 ZINC000056906756 184021011 /nfs/dbraw/zinc/02/10/11/184021011.db2.gz WANUHJQSTBMYGK-UHFFFAOYSA-N 0 0 324.348 0.603 50 0 DCAARN NS(=O)(=O)c1ccc(NC[C@@H]2COc3ccccc3O2)nc1 ZINC000058060135 184072292 /nfs/dbraw/zinc/07/22/92/184072292.db2.gz IBPPRRJIKKQJPN-SNVBAGLBSA-N 0 0 321.358 0.981 50 0 DCAARN COc1ccccc1NC(=O)NC[C@@H](O)CN1CCCC1=O ZINC000058063078 184072872 /nfs/dbraw/zinc/07/28/72/184072872.db2.gz YFYQUFIAJJEJGC-LLVKDONJSA-N 0 0 307.350 0.800 50 0 DCAARN CCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccco2)C1=O ZINC000058065347 184073029 /nfs/dbraw/zinc/07/30/29/184073029.db2.gz HUPIBLXQFLKDGF-ZDUSSCGKSA-N 0 0 304.310 0.643 50 0 DCAARN CC[C@@H]1CCCCN1C(=O)CN1C(=O)NC2(CCOCC2)C1=O ZINC000057947333 184063638 /nfs/dbraw/zinc/06/36/38/184063638.db2.gz MDHISPFOMVXCDQ-GFCCVEGCSA-N 0 0 323.393 0.879 50 0 DCAARN O=C(CN1CCN(Cc2cscn2)CC1)Nc1nncs1 ZINC000058216007 184089108 /nfs/dbraw/zinc/08/91/08/184089108.db2.gz UGXLYMRIULSBMY-UHFFFAOYSA-N 0 0 324.435 0.751 50 0 DCAARN COCC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 ZINC000058162473 184082570 /nfs/dbraw/zinc/08/25/70/184082570.db2.gz RJOVTACXPPITMD-UHFFFAOYSA-N 0 0 320.389 0.991 50 0 DCAARN O=C(NCCNC(=O)c1cc[n+]([O-])cc1)c1ccc(O)cc1 ZINC000058367848 184109426 /nfs/dbraw/zinc/10/94/26/184109426.db2.gz DFKKXVORFMKJTP-UHFFFAOYSA-N 0 0 301.302 0.185 50 0 DCAARN CN(Cc1ccn(-c2ccccc2)n1)Cc1cc(=O)[nH]c(=O)[nH]1 ZINC000058265287 184095691 /nfs/dbraw/zinc/09/56/91/184095691.db2.gz QEPPSXRODAKRSU-UHFFFAOYSA-N 0 0 311.345 0.881 50 0 DCAARN Cc1cccc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 ZINC000058277352 184098212 /nfs/dbraw/zinc/09/82/12/184098212.db2.gz ZEADKCLLYSWMCZ-UHFFFAOYSA-N 0 0 319.386 0.950 50 0 DCAARN NC(=O)c1ccc(OCC(=O)NCCCn2ccnc2)cc1 ZINC000058392463 184111686 /nfs/dbraw/zinc/11/16/86/184111686.db2.gz XDEZAPKHKXKXKS-UHFFFAOYSA-N 0 0 302.334 0.567 50 0 DCAARN COC(=O)Cc1nnn(CC(=O)c2ccc3c(c2)CCC3)n1 ZINC000058298707 184102643 /nfs/dbraw/zinc/10/26/43/184102643.db2.gz ZMZMFANBQFOPBU-UHFFFAOYSA-N 0 0 300.318 0.760 50 0 DCAARN CN(C)C(=O)CNc1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000058329687 184106318 /nfs/dbraw/zinc/10/63/18/184106318.db2.gz UZZWXPYTLKIPQX-UHFFFAOYSA-N 0 0 311.407 0.504 50 0 DCAARN COC(=O)CSCCC(=O)NCC(=O)NCc1ccccc1 ZINC000058432650 184117592 /nfs/dbraw/zinc/11/75/92/184117592.db2.gz WFLSTCIVKOEMLJ-UHFFFAOYSA-N 0 0 324.402 0.715 50 0 DCAARN Cc1oc(C(C)C)nc1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000065293490 184323719 /nfs/dbraw/zinc/32/37/19/184323719.db2.gz DYNUBHXKKAQZCL-UHFFFAOYSA-N 0 0 315.395 0.824 50 0 DCAARN O=C(NC[C@@H](O)COC1CCCCC1)c1cc2n(n1)CCNC2 ZINC000065382841 184332923 /nfs/dbraw/zinc/33/29/23/184332923.db2.gz XVKFYKAJMDQINM-CYBMUJFWSA-N 0 0 322.409 0.426 50 0 DCAARN O=C(NCc1cn2c(n1)SCC2)c1cc2n(n1)CCNC2 ZINC000065426915 184342760 /nfs/dbraw/zinc/34/27/60/184342760.db2.gz RRGFMIATXMZIFC-UHFFFAOYSA-N 0 0 304.379 0.219 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)NCCNc2cnccn2)CC1=O ZINC000065446730 184346256 /nfs/dbraw/zinc/34/62/56/184346256.db2.gz YDWYMXAZKZUYRR-LBPRGKRZSA-N 0 0 305.382 0.509 50 0 DCAARN Cc1nnc2n1C[C@@H](NC(=O)Cn1nnc3ccccc31)CC2 ZINC000065462552 184348860 /nfs/dbraw/zinc/34/88/60/184348860.db2.gz ZGZZBVSNXMHGED-NSHDSACASA-N 0 0 311.349 0.462 50 0 DCAARN CC[C@H]1CN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000065610075 184373100 /nfs/dbraw/zinc/37/31/00/184373100.db2.gz PFQWGQDUIZURIK-LBPRGKRZSA-N 0 0 319.427 0.231 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)N(C)CC(=O)Nc1cccc(C)n1 ZINC000065610391 184373162 /nfs/dbraw/zinc/37/31/62/184373162.db2.gz UHWUBABTEGAJGD-JTQLQIEISA-N 0 0 307.354 0.104 50 0 DCAARN O=C(CN1CCN(C(=O)CC2CCCC2)CC1)N1CCNC1=O ZINC000065553684 184365373 /nfs/dbraw/zinc/36/53/73/184365373.db2.gz WFVJJRDAFFDEAH-UHFFFAOYSA-N 0 0 322.409 0.263 50 0 DCAARN Cc1c(Cl)cccc1NC(=O)CN1C[C@H](O)C[C@@H]1C(N)=O ZINC000065606257 184371379 /nfs/dbraw/zinc/37/13/79/184371379.db2.gz URPOOMMUFZIEAC-BXKDBHETSA-N 0 0 311.769 0.507 50 0 DCAARN CCNC(=O)NC(=O)CN(CCC1CCCCC1)CC(N)=O ZINC000065605083 184371465 /nfs/dbraw/zinc/37/14/65/184371465.db2.gz IOJIQFCMRUECHU-UHFFFAOYSA-N 0 0 312.414 0.590 50 0 DCAARN O=C(c1cnc2ccccc2c1)N1CCN2C(=O)CNC(=O)[C@H]2C1 ZINC000065494980 184355178 /nfs/dbraw/zinc/35/51/78/184355178.db2.gz INCKZBPSKBXQTM-CQSZACIVSA-N 0 0 324.340 0.018 50 0 DCAARN COC[C@@]1(C)NC(=O)N(CC(=O)N2[C@H](C)CCC[C@@H]2C)C1=O ZINC000066084037 184388139 /nfs/dbraw/zinc/38/81/39/184388139.db2.gz ZWQZYZBLJVRZLX-JRPNMDOOSA-N 0 0 311.382 0.733 50 0 DCAARN CCN(CC)c1ccc(C(=O)OCC(=O)NC(=O)NC)cn1 ZINC000065670706 184376550 /nfs/dbraw/zinc/37/65/50/184376550.db2.gz QFZASKHPKMYLES-UHFFFAOYSA-N 0 0 308.338 0.540 50 0 DCAARN Cc1cc(C)n(CCNC(=O)c2n[nH]c3c2CCC3)c(=O)n1 ZINC000067695035 184480632 /nfs/dbraw/zinc/48/06/32/184480632.db2.gz HVAAPPGBPQFQQS-UHFFFAOYSA-N 0 0 301.350 0.502 50 0 DCAARN C[C@@H](c1nc(C2CC2)no1)N1CCN([C@@H]2CCOC2=O)CC1 ZINC000069418623 184513618 /nfs/dbraw/zinc/51/36/18/184513618.db2.gz BTCGNRKSRLVKIS-CMPLNLGQSA-N 0 0 306.366 0.941 50 0 DCAARN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1F ZINC000069419478 184513742 /nfs/dbraw/zinc/51/37/42/184513742.db2.gz XWEZONLLJKWTJK-SECBINFHSA-N 0 0 304.318 0.864 50 0 DCAARN Cc1cnn(C[C@@H]2CN(Cc3nnnn3C3CC3)CCO2)c1 ZINC000069445515 184515123 /nfs/dbraw/zinc/51/51/23/184515123.db2.gz POJFLAJQZGZQMN-ZDUSSCGKSA-N 0 0 303.370 0.414 50 0 DCAARN COC(=O)N1CCC[C@H](NC(=O)NCc2nc(C3CC3)no2)C1 ZINC000069568170 184526758 /nfs/dbraw/zinc/52/67/58/184526758.db2.gz LZFLZMQKOOWFNR-JTQLQIEISA-N 0 0 323.353 0.977 50 0 DCAARN C[C@H](O)[C@H]1CCCCN1S(=O)(=O)CCCN1CCOCC1 ZINC000408243125 299544323 /nfs/dbraw/zinc/54/43/23/299544323.db2.gz CLGKSMKJDPLGPZ-UONOGXRCSA-N 0 0 320.455 0.274 50 0 DCAARN CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1cc(C(C)C)on1 ZINC000332706601 252664768 /nfs/dbraw/zinc/66/47/68/252664768.db2.gz YAYQNOVIPNOXEN-SNVBAGLBSA-N 0 0 315.395 0.952 50 0 DCAARN COC(=O)[C@H]1CCCCN1S(=O)(=O)c1c(C)nn(C)c1C ZINC000058266954 291833689 /nfs/dbraw/zinc/83/36/89/291833689.db2.gz DFBDSDSGNJEFBE-LLVKDONJSA-N 0 0 315.395 0.753 50 0 DCAARN Cn1cccc1C(=O)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000350079150 254309868 /nfs/dbraw/zinc/30/98/68/254309868.db2.gz SSWIWXGSCNKABZ-UHFFFAOYSA-N 0 0 303.284 0.914 50 0 DCAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCS(=O)(=O)C[C@H]1C ZINC000245339017 296424695 /nfs/dbraw/zinc/42/46/95/296424695.db2.gz PYLNAPPSWBGXTA-JHJVBQTASA-N 0 0 302.440 0.895 50 0 DCAARN COCCNC(=O)CNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000096407453 256555559 /nfs/dbraw/zinc/55/55/59/256555559.db2.gz WBCXQFNEBBXAFS-UWVGGRQHSA-N 0 0 312.316 0.947 50 0 DCAARN Cc1cc(=O)c(OCC(=O)Nc2ccc(C(N)=O)cc2)c[nH]1 ZINC000524735409 257213135 /nfs/dbraw/zinc/21/31/35/257213135.db2.gz AWJSZKFRAHRXAM-UHFFFAOYSA-N 0 0 301.302 0.800 50 0 DCAARN COC(=O)c1cn(NC(=O)c2cc(C)on2)cc2c(=O)[nH]nc1-2 ZINC000524732855 257214173 /nfs/dbraw/zinc/21/41/73/257214173.db2.gz URHGHHCJOPFWNV-UHFFFAOYSA-N 0 0 317.261 0.555 50 0 DCAARN CCO[C@H]1C[C@H](O)C12CCN(C(=O)[C@H]1CSCN1)CC2 ZINC000236960586 257239354 /nfs/dbraw/zinc/23/93/54/257239354.db2.gz BVOAQLUUGHRSJE-WOPDTQHZSA-N 0 0 300.424 0.427 50 0 DCAARN C[C@H](O)CNS(=O)(=O)CC1CN(C(=O)c2ccccc2)C1 ZINC000521398248 257240224 /nfs/dbraw/zinc/24/02/24/257240224.db2.gz IGXNZCXCTXDFGJ-NSHDSACASA-N 0 0 312.391 0.059 50 0 DCAARN CC(C)N1C[C@@H](C(=O)N2CCN(c3nc[nH]n3)CC2)CCC1=O ZINC000426634063 257244918 /nfs/dbraw/zinc/24/49/18/257244918.db2.gz UVNZKJGGTQLNAL-LBPRGKRZSA-N 0 0 320.397 0.100 50 0 DCAARN CCC(=O)NCc1cc2n(n1)CCN(Cc1nnc(C)o1)C2 ZINC000426618047 257245219 /nfs/dbraw/zinc/24/52/19/257245219.db2.gz BKQZIQHQXBIHFV-UHFFFAOYSA-N 0 0 304.354 0.617 50 0 DCAARN CCC(=O)NCc1cc2n(n1)CCN(Cc1ncccn1)C2 ZINC000426551027 257247108 /nfs/dbraw/zinc/24/71/08/257247108.db2.gz FJNNDQNRVKWBKN-UHFFFAOYSA-N 0 0 300.366 0.715 50 0 DCAARN Cc1ccn2c(nnc2C(=O)NC2(C(N)=O)CCCCC2)n1 ZINC000426522961 257247570 /nfs/dbraw/zinc/24/75/70/257247570.db2.gz QTCONLYGNKWWGT-UHFFFAOYSA-N 0 0 302.338 0.351 50 0 DCAARN CC(=O)NC(C)(C)C(=O)NCc1ccccc1-n1cncn1 ZINC000426494681 257248336 /nfs/dbraw/zinc/24/83/36/257248336.db2.gz UOHSDGUQIRFBFX-UHFFFAOYSA-N 0 0 301.350 0.798 50 0 DCAARN Cc1ccc(CCNC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)o1 ZINC000426511561 257248548 /nfs/dbraw/zinc/24/85/48/257248548.db2.gz FDBBSOGDQKJWKX-LLVKDONJSA-N 0 0 315.395 0.451 50 0 DCAARN CCc1c(C)cc(C(=O)NCc2nnc3n2CCC3)c(=O)n1C ZINC000426477681 257249349 /nfs/dbraw/zinc/24/93/49/257249349.db2.gz FUZGJLIZEXULRO-UHFFFAOYSA-N 0 0 315.377 0.724 50 0 DCAARN C[C@@H]1CCCCN1CCNC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000252512520 257258217 /nfs/dbraw/zinc/25/82/17/257258217.db2.gz RUVZQKZRUFNIIH-CHWSQXEVSA-N 0 0 317.455 0.595 50 0 DCAARN COc1cccc(CCNC(=O)N2CCS(=O)(=O)CC2)c1 ZINC000089469997 257271604 /nfs/dbraw/zinc/27/16/04/257271604.db2.gz IVBVRXDDMQISMY-UHFFFAOYSA-N 0 0 312.391 0.678 50 0 DCAARN C[C@]12CCC(=O)N1[C@@H](C(=O)OCCNc1ncccn1)CS2 ZINC000069590852 184819347 /nfs/dbraw/zinc/81/93/47/184819347.db2.gz YOJJOUMKRQSUOK-YGRLFVJLSA-N 0 0 322.390 0.886 50 0 DCAARN Cn1cc(NC(=O)[C@H]2CSCN2)cc(Br)c1=O ZINC000121953746 195380834 /nfs/dbraw/zinc/38/08/34/195380834.db2.gz AQVZTNPUIYZYBI-MRVPVSSYSA-N 0 0 318.196 0.749 50 0 DCAARN Cc1[nH][nH]c(=O)c1CC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000299783859 533592245 /nfs/dbraw/zinc/59/22/45/533592245.db2.gz GZCMGXSMVUNNIO-LLVKDONJSA-N 0 0 316.365 0.129 50 0 DCAARN CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000275823354 130392318 /nfs/dbraw/zinc/39/23/18/130392318.db2.gz WFMBOPMHQSIXKF-ZDUSSCGKSA-N 0 0 314.393 0.744 50 0 DCAARN CCN1C[C@]2(CCCN(C(=O)Cn3ccnn3)C2)CCC1=O ZINC000299775574 285471169 /nfs/dbraw/zinc/47/11/69/285471169.db2.gz KCUCPDCGGFOZBH-HNNXBMFYSA-N 0 0 305.382 0.529 50 0 DCAARN COc1ccccc1CN(C)C(=O)CN1C[C@H](F)C[C@H]1C(N)=O ZINC000284870885 131118229 /nfs/dbraw/zinc/11/82/29/131118229.db2.gz RJGAIUHAYZZALP-OLZOCXBDSA-N 0 0 323.368 0.551 50 0 DCAARN Cn1nnnc1SCc1nc(N)nc(N2CCCCC2)n1 ZINC000001426113 134444863 /nfs/dbraw/zinc/44/48/63/134444863.db2.gz JDKJGCRMHNVGNU-UHFFFAOYSA-N 0 0 307.387 0.260 50 0 DCAARN O=C(NCc1ccco1)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000040513564 134714022 /nfs/dbraw/zinc/71/40/22/134714022.db2.gz KJBMGFKXKWGUFG-UHFFFAOYSA-N 0 0 315.333 0.933 50 0 DCAARN Cc1cccc(N2CCN(c3ncc(C(N)=O)c(N)n3)CC2)c1 ZINC000065154587 134817599 /nfs/dbraw/zinc/81/75/99/134817599.db2.gz AMRFMEGHMZVFQO-UHFFFAOYSA-N 0 0 312.377 0.793 50 0 DCAARN CCc1nnc(NC(=O)CCCN2C(=O)CN(C)C2=O)s1 ZINC000008326960 395684383 /nfs/dbraw/zinc/68/43/83/395684383.db2.gz NCNRDAOEFZXYAY-UHFFFAOYSA-N 0 0 311.367 0.713 50 0 DCAARN Cc1noc(C)c1C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC000008562989 395684843 /nfs/dbraw/zinc/68/48/43/395684843.db2.gz LTZVWGPTOXANSY-SNVBAGLBSA-N 0 0 309.322 0.315 50 0 DCAARN COC(=O)c1cn(-c2ncccc2O)cc(C(=O)OC)c1=O ZINC000008702637 395684870 /nfs/dbraw/zinc/68/48/70/395684870.db2.gz ATKHLCJVPDMSKP-UHFFFAOYSA-N 0 0 304.258 0.511 50 0 DCAARN Cc1cc(=O)oc2cc(OCC(=O)N3CCNC(=O)C3)ccc12 ZINC000008707510 395684900 /nfs/dbraw/zinc/68/49/00/395684900.db2.gz PNLMAOOGVIYZDS-UHFFFAOYSA-N 0 0 316.313 0.439 50 0 DCAARN Cc1cc(NC(=O)C(=O)NC(C)C)n(-c2nc(C)cc(=O)[nH]2)n1 ZINC000009037253 395685216 /nfs/dbraw/zinc/68/52/16/395685216.db2.gz ZMYPSDXZRILTDA-UHFFFAOYSA-N 0 0 318.337 0.036 50 0 DCAARN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)Nc2ncnn21 ZINC000009334734 395685336 /nfs/dbraw/zinc/68/53/36/395685336.db2.gz XRNPRJXPNVVKQT-MRVPVSSYSA-N 0 0 301.262 0.529 50 0 DCAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCCC1=O ZINC000010423073 395686107 /nfs/dbraw/zinc/68/61/07/395686107.db2.gz PAXUJSNRCMYWKZ-UHFFFAOYSA-N 0 0 305.265 0.791 50 0 DCAARN COc1ccc(NC(C)=O)cc1NCC(=O)N1CCOCC1 ZINC000011619837 395686645 /nfs/dbraw/zinc/68/66/45/395686645.db2.gz HXFPPJFXQLFKEO-UHFFFAOYSA-N 0 0 307.350 0.924 50 0 DCAARN CN(C)S(=O)(=O)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 ZINC000011816974 395686817 /nfs/dbraw/zinc/68/68/17/395686817.db2.gz YJVOLZAHFGPGSS-GFCCVEGCSA-N 0 0 303.428 0.564 50 0 DCAARN CN(C)c1nc(N)nc(CSc2ncnc3c2cnn3C)n1 ZINC000011685677 395686888 /nfs/dbraw/zinc/68/68/88/395686888.db2.gz IQNVXXLHCVXJOU-UHFFFAOYSA-N 0 0 317.382 0.489 50 0 DCAARN CCOc1ccc(NC(=O)CCn2ccc(=O)[nH]c2=O)cc1 ZINC000011905166 395686972 /nfs/dbraw/zinc/68/69/72/395686972.db2.gz CHFNEIBQYGUGEA-UHFFFAOYSA-N 0 0 303.318 0.964 50 0 DCAARN CCOc1ccc(OCC(=O)NCCn2ncccc2=O)cc1 ZINC000011856321 395686975 /nfs/dbraw/zinc/68/69/75/395686975.db2.gz MIJSNPJTHYDIPK-UHFFFAOYSA-N 0 0 317.345 0.837 50 0 DCAARN Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1NCc1ccncc1 ZINC000012226865 395687261 /nfs/dbraw/zinc/68/72/61/395687261.db2.gz GJSAHPYBIPFXOW-UHFFFAOYSA-N 0 0 311.345 0.948 50 0 DCAARN O=C(NCCCN1CCCC1=O)C(=O)Nc1ccnc(Cl)c1 ZINC000012321397 395687505 /nfs/dbraw/zinc/68/75/05/395687505.db2.gz OYFYIRVRAKUZDT-UHFFFAOYSA-N 0 0 324.768 0.802 50 0 DCAARN CS(=O)(=O)NC1CCN(Cc2cn3ccccc3n2)CC1 ZINC000012531923 395687702 /nfs/dbraw/zinc/68/77/02/395687702.db2.gz ZLZLBHFCZMZXKN-UHFFFAOYSA-N 0 0 308.407 0.848 50 0 DCAARN CCCNC(=O)CN(C)S(=O)(=O)c1cc(F)ccc1OC ZINC000012844097 395687959 /nfs/dbraw/zinc/68/79/59/395687959.db2.gz DBWKURHUEZZXDA-UHFFFAOYSA-N 0 0 318.370 0.981 50 0 DCAARN CCN(CC)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000012933503 395688217 /nfs/dbraw/zinc/68/82/17/395688217.db2.gz VZIBDCQHZLEFCI-UHFFFAOYSA-N 0 0 303.370 0.604 50 0 DCAARN CC(=O)c1ccc(N2CCN(C(=O)CNC(N)=O)CC2)cc1 ZINC000013063453 395688429 /nfs/dbraw/zinc/68/84/29/395688429.db2.gz WLJSMSAGYFCFQG-UHFFFAOYSA-N 0 0 304.350 0.206 50 0 DCAARN Cc1ccccc1N1CCN(CC(=O)N2CCNC2=O)CC1 ZINC000013062113 395688489 /nfs/dbraw/zinc/68/84/89/395688489.db2.gz WYRYWVSULRVDER-UHFFFAOYSA-N 0 0 302.378 0.669 50 0 DCAARN CCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cccs1 ZINC000013371048 395688600 /nfs/dbraw/zinc/68/86/00/395688600.db2.gz BVXIPOUPRIUMDO-UWVGGRQHSA-N 0 0 323.461 0.687 50 0 DCAARN C/C=C/Cn1c(SCC(C)=O)nc2c1c(=O)[nH]c(=O)n2C ZINC000013512095 395688602 /nfs/dbraw/zinc/68/86/02/395688602.db2.gz JRHNGGJRDWEGEE-SNAWJCMRSA-N 0 0 308.363 0.681 50 0 DCAARN COCCNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000013580422 395688627 /nfs/dbraw/zinc/68/86/27/395688627.db2.gz CMYCDKQAUWEVOT-UHFFFAOYSA-N 0 0 312.391 0.775 50 0 DCAARN CC[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOC ZINC000013534654 395688650 /nfs/dbraw/zinc/68/86/50/395688650.db2.gz VADICTACBKOWSB-MRVPVSSYSA-N 0 0 312.395 0.960 50 0 DCAARN COC(=O)c1ccc(CNC(=O)c2ccc(=O)n(C)n2)cc1 ZINC000014019855 395688961 /nfs/dbraw/zinc/68/89/61/395688961.db2.gz CWQNOLLFCUECSJ-UHFFFAOYSA-N 0 0 301.302 0.497 50 0 DCAARN Cc1nn(C)cc1CNC(=O)C(=O)Nc1cccc2nonc21 ZINC000013728015 395688969 /nfs/dbraw/zinc/68/89/69/395688969.db2.gz AUUOCKGJILRHOK-UHFFFAOYSA-N 0 0 314.305 0.520 50 0 DCAARN COCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O ZINC000014099348 395689072 /nfs/dbraw/zinc/68/90/72/395689072.db2.gz WZGOSEGQMKADIO-UHFFFAOYSA-N 0 0 312.391 0.910 50 0 DCAARN C[C@]1(c2ccc(F)cc2)NC(=O)N(CN2CCOCC2)C1=O ZINC000014139758 395689238 /nfs/dbraw/zinc/68/92/38/395689238.db2.gz XWAXOKRGVGKMAY-OAHLLOKOSA-N 0 0 307.325 0.882 50 0 DCAARN CC(=O)NCCOC(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000014129001 395689274 /nfs/dbraw/zinc/68/92/74/395689274.db2.gz TXCRYRLOSJFKJY-UHFFFAOYSA-N 0 0 304.302 0.633 50 0 DCAARN CCNC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 ZINC000014397152 395689507 /nfs/dbraw/zinc/68/95/07/395689507.db2.gz APQSMLWQVIDXJM-UHFFFAOYSA-N 0 0 300.380 0.593 50 0 DCAARN Cc1cc(C)c(CNC(=O)c2cnc3ccccn3c2=O)c(=O)[nH]1 ZINC000014848783 395689650 /nfs/dbraw/zinc/68/96/50/395689650.db2.gz APMSGPZPXCNIHE-UHFFFAOYSA-N 0 0 324.340 0.930 50 0 DCAARN CS(=O)(=O)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 ZINC000015062385 395689722 /nfs/dbraw/zinc/68/97/22/395689722.db2.gz OGISSXAWPBUBRW-ZDUSSCGKSA-N 0 0 310.423 0.975 50 0 DCAARN COCc1cc(=O)[nH]c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000018143845 395690836 /nfs/dbraw/zinc/69/08/36/395690836.db2.gz RJWIJIUJIMYYAP-UHFFFAOYSA-N 0 0 318.333 0.472 50 0 DCAARN CS(=O)(=O)c1ccc(N2CCN(CCO)CC2)c(F)c1 ZINC000019735894 395691019 /nfs/dbraw/zinc/69/10/19/395691019.db2.gz KISDPIUPCCXXCR-UHFFFAOYSA-N 0 0 302.371 0.344 50 0 DCAARN NN(CCc1ccccn1)C1=NS(=O)(=O)c2ccccc21 ZINC000000034315 395679609 /nfs/dbraw/zinc/67/96/09/395679609.db2.gz TXVPSQYJKVUJTM-UHFFFAOYSA-N 0 0 302.359 0.949 50 0 DCAARN NC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000000049005 395679634 /nfs/dbraw/zinc/67/96/34/395679634.db2.gz UUTRTANIEOWWSJ-ZDUSSCGKSA-N 0 0 319.336 0.655 50 0 DCAARN COC(=O)c1nnn(-c2nonc2N)c1CN1CCC(C)CC1 ZINC000000051814 395679653 /nfs/dbraw/zinc/67/96/53/395679653.db2.gz CFKCOWSKGMZMFT-UHFFFAOYSA-N 0 0 321.341 0.251 50 0 DCAARN COc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=CNN32)cc1OC ZINC000000071345 395679719 /nfs/dbraw/zinc/67/97/19/395679719.db2.gz WPQJIIWUXNZJLN-ZDUSSCGKSA-N 0 0 315.333 0.722 50 0 DCAARN CCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000000099841 395679770 /nfs/dbraw/zinc/67/97/70/395679770.db2.gz OKQPCCRQYXSRIQ-UHFFFAOYSA-N 0 0 312.391 0.971 50 0 DCAARN Cc1cccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000000199164 395680099 /nfs/dbraw/zinc/68/00/99/395680099.db2.gz ZNFYHUMSCRXHLC-UHFFFAOYSA-N 0 0 312.391 0.478 50 0 DCAARN CC(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000269602 395680211 /nfs/dbraw/zinc/68/02/11/395680211.db2.gz MCXVVSQVUOBOQP-UHFFFAOYSA-N 0 0 312.391 0.386 50 0 DCAARN Cn1c2nc(N)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000000390140 395680249 /nfs/dbraw/zinc/68/02/49/395680249.db2.gz IMURMMGYGJTBIY-UHFFFAOYSA-N 0 0 303.297 0.203 50 0 DCAARN O=C([O-])[C@H](CC(=O)Nc1cccc(O)c1)[NH2+]C[C@H]1CCCO1 ZINC000000352273 395680258 /nfs/dbraw/zinc/68/02/58/395680258.db2.gz WBCNTXYDQOVPSX-OLZOCXBDSA-N 0 0 308.334 0.943 50 0 DCAARN COc1ccc(-c2nnc(SCC(N)=O)n2N)cc1OC ZINC000000531613 395680510 /nfs/dbraw/zinc/68/05/10/395680510.db2.gz CBWXQZKVBZDCSD-UHFFFAOYSA-N 0 0 309.351 0.254 50 0 DCAARN O=C(NCC1CCN(C(=O)[C@H]2CCCO2)CC1)[C@H]1CCCO1 ZINC000001456989 395680767 /nfs/dbraw/zinc/68/07/67/395680767.db2.gz XYSSQLSRICWXBQ-ZIAGYGMSSA-N 0 0 310.394 0.699 50 0 DCAARN CCCCn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002029967 395681278 /nfs/dbraw/zinc/68/12/78/395681278.db2.gz AAZNEPATTVCDNL-UHFFFAOYSA-N 0 0 307.354 0.060 50 0 DCAARN COc1ccc(NC(=O)CSc2nnnn2C)cc1OC ZINC000002201000 395681431 /nfs/dbraw/zinc/68/14/31/395681431.db2.gz LOMXUUNMSMDRKU-UHFFFAOYSA-N 0 0 309.351 0.958 50 0 DCAARN Nc1cc(=O)n2c(n1)SC[C@H]2CS(=O)(=O)c1ccccc1 ZINC000002362647 395681439 /nfs/dbraw/zinc/68/14/39/395681439.db2.gz CHBBIFUWQWITRJ-VIFPVBQESA-N 0 0 323.399 0.946 50 0 DCAARN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000002556671 395681732 /nfs/dbraw/zinc/68/17/32/395681732.db2.gz CUCAZZQPISJXOS-QWRGUYRKSA-N 0 0 308.334 0.979 50 0 DCAARN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cn(C)nc2C)C1 ZINC000002804130 395681901 /nfs/dbraw/zinc/68/19/01/395681901.db2.gz WSOFUYSDMXGZIG-LLVKDONJSA-N 0 0 315.395 0.692 50 0 DCAARN CCn1ncc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1C ZINC000002804765 395681987 /nfs/dbraw/zinc/68/19/87/395681987.db2.gz HAPIRICUOXBGMU-UHFFFAOYSA-N 0 0 314.411 0.822 50 0 DCAARN CNC(=O)[C@H](C)NC(=O)CN1C[C@@H](c2ccccc2)CC1=O ZINC000003150397 395682251 /nfs/dbraw/zinc/68/22/51/395682251.db2.gz GTMSYJWCQWBIOB-AAEUAGOBSA-N 0 0 303.362 0.253 50 0 DCAARN CN(C)c1nc(N(C)C)n(S(=O)(=O)c2cccs2)n1 ZINC000003104980 395682270 /nfs/dbraw/zinc/68/22/70/395682270.db2.gz APWJBQKDXUIGLP-UHFFFAOYSA-N 0 0 301.397 0.709 50 0 DCAARN COC(=O)[C@]1(O)C(=C(C)O)C(=O)C(=O)N1c1ccc(C)cc1 ZINC000005387262 395682780 /nfs/dbraw/zinc/68/27/80/395682780.db2.gz ZZKQQQCPFSKKJX-OAHLLOKOSA-N 0 0 305.286 0.604 50 0 DCAARN NC(=O)[C@H]1CCCN(C(=O)COC(=O)COc2ccccc2)C1 ZINC000007895918 395683722 /nfs/dbraw/zinc/68/37/22/395683722.db2.gz XRQKOVPCQDKULM-LBPRGKRZSA-N 0 0 320.345 0.333 50 0 DCAARN COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@@H](C)O)C3)cc1 ZINC000008132264 395684114 /nfs/dbraw/zinc/68/41/14/395684114.db2.gz VMZNKNWJKCMAAH-YMTOWFKASA-N 0 0 317.345 0.526 50 0 DCAARN CC(C)CN1C[C@H](C(=O)NCc2nnc3ccccn32)CC1=O ZINC000029760687 395700007 /nfs/dbraw/zinc/70/00/07/395700007.db2.gz NMKVVUIUZCZXOJ-GFCCVEGCSA-N 0 0 315.377 0.850 50 0 DCAARN O=C(CN1CCN(C[C@@H](O)c2ccco2)CC1)N1CCCC1 ZINC000085436877 395700389 /nfs/dbraw/zinc/70/03/89/395700389.db2.gz GPNDMUWPKWWCIW-CQSZACIVSA-N 0 0 307.394 0.553 50 0 DCAARN C[C@H]1CN(C(=O)Cn2cnc3cc(F)ccc3c2=O)CCO1 ZINC000029904322 395700457 /nfs/dbraw/zinc/70/04/57/395700457.db2.gz QATCJBAHQSHBDW-JTQLQIEISA-N 0 0 305.309 0.783 50 0 DCAARN C[C@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000085467186 395700834 /nfs/dbraw/zinc/70/08/34/395700834.db2.gz SYGOHHVGPGTGGU-NSHDSACASA-N 0 0 302.371 0.513 50 0 DCAARN COc1ccc(CCNC(=O)N2CCN(C[C@H](C)O)CC2)cc1 ZINC000085466901 395700983 /nfs/dbraw/zinc/70/09/83/395700983.db2.gz SZZULMMUVNPNCH-AWEZNQCLSA-N 0 0 321.421 0.946 50 0 DCAARN O=S(=O)(Cc1ccccc1)N1CCN(C[C@H](O)C2CC2)CC1 ZINC000085467003 395701187 /nfs/dbraw/zinc/70/11/87/395701187.db2.gz WLXYPXIGJUKUIA-INIZCTEOSA-N 0 0 324.446 0.905 50 0 DCAARN CC(=O)c1ccccc1NCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000029980392 395701409 /nfs/dbraw/zinc/70/14/09/395701409.db2.gz LWKPOHJDUCPYED-GFCCVEGCSA-N 0 0 324.402 0.947 50 0 DCAARN O=C(CN1C(=O)CCC1=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000085473040 395701483 /nfs/dbraw/zinc/70/14/83/395701483.db2.gz BYSHLDZQRUDYMF-CQSZACIVSA-N 0 0 316.357 0.606 50 0 DCAARN COCC(=O)Nc1cccc(CNC(=O)C2=COCCO2)c1 ZINC000030120122 395701530 /nfs/dbraw/zinc/70/15/30/395701530.db2.gz YVSIBPVPULBZGK-UHFFFAOYSA-N 0 0 306.318 0.776 50 0 DCAARN COc1ccc(N2C[C@@H](C(=O)NCCNC(C)=O)CC2=O)cc1 ZINC000030547705 395702848 /nfs/dbraw/zinc/70/28/48/395702848.db2.gz SXADAXXYFLAXTJ-LBPRGKRZSA-N 0 0 319.361 0.300 50 0 DCAARN C[C@@H](O)CN1CC2=C(C1=O)[C@@H](c1ccc(O)cc1)NC(=O)N2C ZINC000036678972 395723845 /nfs/dbraw/zinc/72/38/45/395723845.db2.gz YFSXWBCDCBYPRM-YMTOWFKASA-N 0 0 317.345 0.565 50 0 DCAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000030871135 395704857 /nfs/dbraw/zinc/70/48/57/395704857.db2.gz WFFUNBZKHXTHFA-JTQLQIEISA-N 0 0 320.370 0.962 50 0 DCAARN C[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H]1CCCO1 ZINC000031122531 395705651 /nfs/dbraw/zinc/70/56/51/395705651.db2.gz RTPOAHDGPXDURK-CMPLNLGQSA-N 0 0 319.427 0.277 50 0 DCAARN Cc1nc(CN2CCN(C(=O)c3nccnc3N)CC2)cs1 ZINC000031260771 395706402 /nfs/dbraw/zinc/70/64/02/395706402.db2.gz PWXYKDFZHHHTJP-UHFFFAOYSA-N 0 0 318.406 0.782 50 0 DCAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)NN1CC(=O)NC1=O ZINC000031907492 395708446 /nfs/dbraw/zinc/70/84/46/395708446.db2.gz GXNRDNQXZHEFIU-VIFPVBQESA-N 0 0 320.330 0.073 50 0 DCAARN CCc1nnc([C@@H]2CN(Cc3ccn(C)c(=O)c3)CCO2)[nH]1 ZINC000089289844 395710209 /nfs/dbraw/zinc/71/02/09/395710209.db2.gz HXNTWXYHPBGDBS-LBPRGKRZSA-N 0 0 303.366 0.639 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCNC(=O)C2)c2ccccc12 ZINC000032404354 395710635 /nfs/dbraw/zinc/71/06/35/395710635.db2.gz BGYHPCCUXIVRAR-UHFFFAOYSA-N 0 0 320.370 0.969 50 0 DCAARN O=C([C@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccccc2)CC1 ZINC000032490673 395711023 /nfs/dbraw/zinc/71/10/23/395711023.db2.gz UQSNLFMOYVUYTE-HNNXBMFYSA-N 0 0 322.430 0.766 50 0 DCAARN Cc1nn(C)c2c1ncn(CC(=O)NCc1ccco1)c2=O ZINC000032649017 395711915 /nfs/dbraw/zinc/71/19/15/395711915.db2.gz VVQAZGLQJPRTOD-UHFFFAOYSA-N 0 0 301.306 0.348 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)NCCSc1ccccc1 ZINC000032748204 395712833 /nfs/dbraw/zinc/71/28/33/395712833.db2.gz WROCUJNHVUVART-LLVKDONJSA-N 0 0 307.375 0.883 50 0 DCAARN Cc1cnc(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)cn1 ZINC000089702249 395714271 /nfs/dbraw/zinc/71/42/71/395714271.db2.gz GNRPRRTZADIQGD-HNNXBMFYSA-N 0 0 303.366 0.690 50 0 DCAARN NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3nccs3)CC2)C1 ZINC000032925450 395714709 /nfs/dbraw/zinc/71/47/09/395714709.db2.gz GEBWUSWQLGAQTB-LLVKDONJSA-N 0 0 323.422 0.582 50 0 DCAARN O=C(NCCCc1nc2c(s1)CCCC2)[C@H]1CNC(=O)N1 ZINC000089819208 395715367 /nfs/dbraw/zinc/71/53/67/395715367.db2.gz BMSWTURGVLYESL-SNVBAGLBSA-N 0 0 308.407 0.752 50 0 DCAARN C[C@H](NC(=O)NCCCN1CCCCCC1=O)c1nncn1C ZINC000089913969 395716234 /nfs/dbraw/zinc/71/62/34/395716234.db2.gz QGMMVUIWVQYRRD-LBPRGKRZSA-N 0 0 322.413 0.968 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)NCc1ccnc(N(C)C)c1 ZINC000089900534 395716666 /nfs/dbraw/zinc/71/66/66/395716666.db2.gz ZSMGPWVJUZEJSH-ZDUSSCGKSA-N 0 0 321.425 0.668 50 0 DCAARN C[C@H]1CN(C)CCN1C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000089938199 395717242 /nfs/dbraw/zinc/71/72/42/395717242.db2.gz INAVXDMRLCAHTD-JTQLQIEISA-N 0 0 312.395 0.653 50 0 DCAARN NC(=O)C1CCN(C(=O)CN2CCc3ccccc3C2)CC1 ZINC000034781811 395718141 /nfs/dbraw/zinc/71/81/41/395718141.db2.gz DTDWTAKHTYWEHY-UHFFFAOYSA-N 0 0 301.390 0.769 50 0 DCAARN COC(=O)C1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000035177056 395719443 /nfs/dbraw/zinc/71/94/43/395719443.db2.gz PZXWYNAXPXMQJD-PHIMTYICSA-N 0 0 320.411 0.225 50 0 DCAARN O=C(CNC(=O)[C@@H]1Cc2ccccc2CN1)NC[C@H]1CCCO1 ZINC000035485338 395720855 /nfs/dbraw/zinc/72/08/55/395720855.db2.gz BLGNNNCFVIPVRR-CABCVRRESA-N 0 0 317.389 0.112 50 0 DCAARN CCCn1c(=O)c(C(=O)NC2CC2)nn(-c2ccccc2)c1=O ZINC000036086213 395722008 /nfs/dbraw/zinc/72/20/08/395722008.db2.gz KPFKWTFXMDKWJB-UHFFFAOYSA-N 0 0 314.345 0.696 50 0 DCAARN CCN1CCN(S(=O)(=O)c2c[nH]c(C(=O)OC)c2)CC1 ZINC000036146005 395722243 /nfs/dbraw/zinc/72/22/43/395722243.db2.gz NSWZJIWMJDNAMK-UHFFFAOYSA-N 0 0 301.368 0.128 50 0 DCAARN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)nc1)n1cncn1 ZINC000027585458 395695337 /nfs/dbraw/zinc/69/53/37/395695337.db2.gz BPLUSLPEJASNAS-LBPRGKRZSA-N 0 0 316.365 0.387 50 0 DCAARN C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCN(C)CC1 ZINC000027976250 395695571 /nfs/dbraw/zinc/69/55/71/395695571.db2.gz DIAOZQJGXAHPRX-GFCCVEGCSA-N 0 0 316.365 0.204 50 0 DCAARN C[C@H]1CCCN(C(=O)CCn2cnc3c(cnn3C)c2=O)C1 ZINC000029510474 395698662 /nfs/dbraw/zinc/69/86/62/395698662.db2.gz XHQYXPMPSJYONZ-NSHDSACASA-N 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/nfs/dbraw/zinc/76/36/99/395763699.db2.gz XPVMURFHKGVPHO-UHFFFAOYSA-N 0 0 313.346 0.992 50 0 DCAARN O=C(NC[C@@H]1Cc2ccccc2O1)N[C@H]1CCCCNC1=O ZINC000045666632 395764605 /nfs/dbraw/zinc/76/46/05/395764605.db2.gz UFRCIQDWHGADMB-STQMWFEESA-N 0 0 303.362 0.958 50 0 DCAARN CCN1C[C@H](C(=O)NCCNC(=O)c2ccccc2)CC1=O ZINC000046196053 395772926 /nfs/dbraw/zinc/77/29/26/395772926.db2.gz SDDDGCGAOKRZDD-CYBMUJFWSA-N 0 0 303.362 0.401 50 0 DCAARN CSCC[C@H](NC(N)=O)C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000046278898 395775094 /nfs/dbraw/zinc/77/50/94/395775094.db2.gz ZBDYJECVEDJIQL-RYUDHWBXSA-N 0 0 323.418 0.896 50 0 DCAARN O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCCCC1 ZINC000046502683 395778094 /nfs/dbraw/zinc/77/80/94/395778094.db2.gz BGNULIHQPYCTET-OAHLLOKOSA-N 0 0 323.437 0.712 50 0 DCAARN O=C(Cn1cnc2sccc2c1=O)N[C@@H]1CCCCNC1=O ZINC000047971831 395804433 /nfs/dbraw/zinc/80/44/33/395804433.db2.gz PVIGHTDWNRCYBP-SNVBAGLBSA-N 0 0 320.374 0.243 50 0 DCAARN CC[C@@H]1CN(C(=O)Cc2ccc(-n3cnnn3)cc2)CCO1 ZINC000048137805 395809349 /nfs/dbraw/zinc/80/93/49/395809349.db2.gz XRRFFDSCXMTUJX-CQSZACIVSA-N 0 0 301.350 0.842 50 0 DCAARN C[C@@H]1CN(CCN(C)C(=O)NCCc2ccnn2C)C[C@H](C)O1 ZINC000195077439 395815287 /nfs/dbraw/zinc/81/52/87/395815287.db2.gz MCRULNYNDWUIHZ-OKILXGFUSA-N 0 0 323.441 0.713 50 0 DCAARN CN(C)c1cncc(O[C@H]2CCN(C(=O)c3cnccn3)C2)n1 ZINC000225401873 395859201 /nfs/dbraw/zinc/85/92/01/395859201.db2.gz GYVYPYKSUIMVRY-NSHDSACASA-N 0 0 314.349 0.626 50 0 DCAARN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000048671758 395822091 /nfs/dbraw/zinc/82/20/91/395822091.db2.gz NNOGAFXZOZJXNM-LLVKDONJSA-N 0 0 301.368 0.581 50 0 DCAARN O=C(COC[C@@H]1CCCO1)NCCCc1nnc2ccccn21 ZINC000113162307 395828069 /nfs/dbraw/zinc/82/80/69/395828069.db2.gz IWMFSCYOUZRPDR-ZDUSSCGKSA-N 0 0 318.377 0.974 50 0 DCAARN C[C@H](C(N)=O)N1CCN(C(=O)c2c(F)ccc(F)c2F)CC1 ZINC000195567441 395831628 /nfs/dbraw/zinc/83/16/28/395831628.db2.gz FEXYFOLHKKQAEV-MRVPVSSYSA-N 0 0 315.295 0.736 50 0 DCAARN COCc1noc(CN2CCN(Cc3ncc(C)o3)CC2)n1 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CC(C)CN1CCN(C(=O)c2[nH]nc(N)c2Cl)[C@@H](C)C1=O ZINC000220067334 395847977 /nfs/dbraw/zinc/84/79/77/395847977.db2.gz QPQAYWXFGRZWEG-QMMMGPOBSA-N 0 0 313.789 0.974 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1c[nH]c(=O)[nH]1 ZINC000220507265 395848371 /nfs/dbraw/zinc/84/83/71/395848371.db2.gz LRQOAYPOILGPMQ-MWLCHTKSSA-N 0 0 304.306 0.064 50 0 DCAARN O=C(COCc1ccccc1)N[C@@H]1CCOC[C@H]1OCCO ZINC000220676283 395849836 /nfs/dbraw/zinc/84/98/36/395849836.db2.gz MMZHHNWSILBBNE-HUUCEWRRSA-N 0 0 309.362 0.486 50 0 DCAARN COCCCn1cnnc1CNC(=O)c1cc(=O)cc(C)o1 ZINC000221324521 395850732 /nfs/dbraw/zinc/85/07/32/395850732.db2.gz RBIZQMSFBBEQGJ-UHFFFAOYSA-N 0 0 306.322 0.506 50 0 DCAARN CCOCC(=O)N1CCC(C(=O)N(C)Cc2nc(C)c[nH]2)CC1 ZINC000221439289 395851432 /nfs/dbraw/zinc/85/14/32/395851432.db2.gz SFHMXCFPQVMWPG-UHFFFAOYSA-N 0 0 322.409 0.952 50 0 DCAARN CC(C)Cn1cncc1CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000223086134 395854329 /nfs/dbraw/zinc/85/43/29/395854329.db2.gz BFMYWTMXAJVAHF-SNVBAGLBSA-N 0 0 302.400 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WDJKTQUFYQZCBM-OTYXRUKQSA-N 0 0 313.423 0.471 50 0 DCAARN CCN1CCN(C(=O)c2nn(C)cc2Br)CC1 ZINC000055009899 395908912 /nfs/dbraw/zinc/90/89/12/395908912.db2.gz WAZAZDYOSFWQSD-UHFFFAOYSA-N 0 0 301.188 0.960 50 0 DCAARN O=C(CN1C(=O)CNC1=O)NCc1ccccc1-n1ccnc1 ZINC000126181327 395910266 /nfs/dbraw/zinc/91/02/66/395910266.db2.gz NKTZMOQPEAKLQD-UHFFFAOYSA-N 0 0 313.317 0.040 50 0 DCAARN O=C(c1ccccc1N1CCC(=O)NC1=O)N1CCC[C@H]1CO ZINC000055054076 395910691 /nfs/dbraw/zinc/91/06/91/395910691.db2.gz VTTDAGNPJWFVSL-NSHDSACASA-N 0 0 317.345 0.730 50 0 DCAARN Cc1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC000055292988 395916388 /nfs/dbraw/zinc/91/63/88/395916388.db2.gz LKMVVSJCUWXRSX-CQSZACIVSA-N 0 0 323.418 0.335 50 0 DCAARN O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000238878248 395923095 /nfs/dbraw/zinc/92/30/95/395923095.db2.gz OPJIKCIFBZPUIE-SECBINFHSA-N 0 0 302.290 0.576 50 0 DCAARN C[C@@H]1CN(C(=O)NCCCOCC(F)(F)F)CC(=O)N1C ZINC000225689349 395862523 /nfs/dbraw/zinc/86/25/23/395862523.db2.gz GCQRXPJCPAYHTO-SECBINFHSA-N 0 0 311.304 0.828 50 0 DCAARN Cc1ccc(C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)n1C ZINC000118682876 395863822 /nfs/dbraw/zinc/86/38/22/395863822.db2.gz DDRLCWWCZDVVQY-UHFFFAOYSA-N 0 0 302.382 0.718 50 0 DCAARN Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)NCC(N)=O ZINC000226851479 395866980 /nfs/dbraw/zinc/86/69/80/395866980.db2.gz WXCYSRGNMLNJST-NSHDSACASA-N 0 0 302.334 0.550 50 0 DCAARN CNC(=O)CCNC(=O)[C@]1(C)CC(c2ccccc2OC)=NO1 ZINC000226746360 395867197 /nfs/dbraw/zinc/86/71/97/395867197.db2.gz XFCHDUYGRXPMLR-INIZCTEOSA-N 0 0 319.361 0.831 50 0 DCAARN C[C@H](C(=O)Nc1ncccn1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000229476801 395874624 /nfs/dbraw/zinc/87/46/24/395874624.db2.gz ZKVJFYFTQLADDN-CHWSQXEVSA-N 0 0 315.381 0.807 50 0 DCAARN CCCCN(C)S(=O)(=O)NCCN1C[C@H](C)O[C@@H](C)C1 ZINC000229563126 395875428 /nfs/dbraw/zinc/87/54/28/395875428.db2.gz JCPBSDXWJACFMH-STQMWFEESA-N 0 0 307.460 0.662 50 0 DCAARN C[C@H](C(=O)Nc1ncccn1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000229553122 395875455 /nfs/dbraw/zinc/87/54/55/395875455.db2.gz NOPCWEPEZSOWQO-CHWSQXEVSA-N 0 0 316.365 0.401 50 0 DCAARN COc1ccc(CN2CCN(C(=O)c3cnccn3)CC2)cn1 ZINC000065267166 395991088 /nfs/dbraw/zinc/99/10/88/395991088.db2.gz QOURIVHTIUSUFG-UHFFFAOYSA-N 0 0 313.361 0.838 50 0 DCAARN Cc1cnc(CNc2cc(N3CCOCC3)nc(N)n2)cn1 ZINC000065371103 395992894 /nfs/dbraw/zinc/99/28/94/395992894.db2.gz DEFGQHDJJAAVHH-UHFFFAOYSA-N 0 0 301.354 0.606 50 0 DCAARN COc1ccnc(N2CCN(C(=O)c3ncoc3C)CC2)n1 ZINC000065625614 395996086 /nfs/dbraw/zinc/99/60/86/395996086.db2.gz UPDVJCGSBPIQSN-UHFFFAOYSA-N 0 0 303.322 0.744 50 0 DCAARN CC(=O)NCC(=O)N1CC(F)(F)C[C@H]1c1nc(C2CC2)no1 ZINC000253406868 396026727 /nfs/dbraw/zinc/02/67/27/396026727.db2.gz JJPMMMPKRJGWHM-VIFPVBQESA-N 0 0 314.292 0.992 50 0 DCAARN CC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1CO ZINC000253406175 396026873 /nfs/dbraw/zinc/02/68/73/396026873.db2.gz ISWNVLISMHKGNR-XJKSGUPXSA-N 0 0 315.373 0.666 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ncc[nH]2)o1 ZINC000253422963 396028102 /nfs/dbraw/zinc/02/81/02/396028102.db2.gz MKGPEGSCCUGDNR-SECBINFHSA-N 0 0 324.362 0.888 50 0 DCAARN CS(=O)(=O)CCC(=O)NCc1ccccc1-n1cccn1 ZINC000067595044 396028544 /nfs/dbraw/zinc/02/85/44/396028544.db2.gz GKICASWDGKHETB-UHFFFAOYSA-N 0 0 307.375 0.923 50 0 DCAARN Cn1cc(S(=O)(=O)N2CC[C@H](OCc3ccncc3)C2)cn1 ZINC000253428071 396028962 /nfs/dbraw/zinc/02/89/62/396028962.db2.gz ORJFJCVCHMXYQO-ZDUSSCGKSA-N 0 0 322.390 0.795 50 0 DCAARN CN1CCN(NC(=O)c2ccc(OC[C@H]3CCCO3)nc2)CC1 ZINC000253472568 396029622 /nfs/dbraw/zinc/02/96/22/396029622.db2.gz NPXYQBLCABNWDO-CQSZACIVSA-N 0 0 320.393 0.532 50 0 DCAARN O=C(COC[C@@H]1CCCCO1)N1CCc2nc[nH]c(=O)c2C1 ZINC000253536792 396030100 /nfs/dbraw/zinc/03/01/00/396030100.db2.gz OTTAMNBYOOOVRE-NSHDSACASA-N 0 0 307.350 0.653 50 0 DCAARN CCc1[nH]nc2c1CN(CCn1c(=O)cc(C)[nH]c1=O)CC2 ZINC000253537202 396030458 /nfs/dbraw/zinc/03/04/58/396030458.db2.gz BKJVYOGWSFSJPQ-UHFFFAOYSA-N 0 0 303.366 0.601 50 0 DCAARN COc1ccccc1OCc1cc(C(=O)NC(CO)CO)[nH]n1 ZINC000067691495 396030643 /nfs/dbraw/zinc/03/06/43/396030643.db2.gz PPZQHDFTOXGSMS-UHFFFAOYSA-N 0 0 321.333 0.080 50 0 DCAARN CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@H]1NC(C)=O ZINC000253783182 396031148 /nfs/dbraw/zinc/03/11/48/396031148.db2.gz XCDVOAZVARITEI-VTMBPIDISA-N 0 0 323.345 0.338 50 0 DCAARN COc1cccc2c1OCC(CN1CC[C@]([NH3+])(C(=O)[O-])C1)=C2 ZINC000067727172 396031720 /nfs/dbraw/zinc/03/17/20/396031720.db2.gz QUNAIAUVILKYPI-MRXNPFEDSA-N 0 0 304.346 0.959 50 0 DCAARN O=C1N(Cc2ccccc2F)CCC[C@@]1(O)CN1CC(O)C1 ZINC000067772512 396033335 /nfs/dbraw/zinc/03/33/35/396033335.db2.gz LFTZMNKSDKTYAB-MRXNPFEDSA-N 0 0 308.353 0.356 50 0 DCAARN COC[C@@H]1CN(S(=O)(=O)C(C)C)C[C@H]1c1nc(C)no1 ZINC000257183780 396034102 /nfs/dbraw/zinc/03/41/02/396034102.db2.gz HYDFJRKLSLEBHW-WDEREUQCSA-N 0 0 303.384 0.778 50 0 DCAARN CC(=O)N1CC2(C[C@H]1c1nnc(C)o1)CC[NH+](CCO)CC2 ZINC000257192391 396035180 /nfs/dbraw/zinc/03/51/80/396035180.db2.gz UKTGVWAEWTZMHS-ZDUSSCGKSA-N 0 0 308.382 0.746 50 0 DCAARN Cc1cncc(C(=O)N[C@@H]2CN(c3ccncn3)C[C@H]2CO)c1 ZINC000257191264 396035235 /nfs/dbraw/zinc/03/52/35/396035235.db2.gz PRTVNDWRPSFQKE-UONOGXRCSA-N 0 0 313.361 0.407 50 0 DCAARN CC(=O)N1C[C@@H](Oc2ccccc2)C[C@@H]1C(=O)N1CCOCC1 ZINC000257186958 396035380 /nfs/dbraw/zinc/03/53/80/396035380.db2.gz LAUZQPWMBKGKHM-JKSUJKDBSA-N 0 0 318.373 0.914 50 0 DCAARN O=C1NC2(CCOCC2)C(=O)N1C[C@H](O)c1cccc(F)c1 ZINC000069167901 396072447 /nfs/dbraw/zinc/07/24/47/396072447.db2.gz QQDPKJHWKJBAMS-LBPRGKRZSA-N 0 0 308.309 0.960 50 0 DCAARN COc1cccc(CN(C[C@H]2CCCO2)S(N)(=O)=O)c1 ZINC000068255957 396050630 /nfs/dbraw/zinc/05/06/30/396050630.db2.gz YYJNJWYBXKPABU-CYBMUJFWSA-N 0 0 300.380 0.880 50 0 DCAARN C[C@H](NC(=O)N1CCN(c2cccs2)CC1)c1nnnn1C ZINC000252483872 396019775 /nfs/dbraw/zinc/01/97/75/396019775.db2.gz FKKYREQCBDIHLU-JTQLQIEISA-N 0 0 321.410 0.864 50 0 DCAARN CCCn1[nH]ccc1=NC(=O)COC(=O)c1ccc(OC)nc1 ZINC000252475341 396019905 /nfs/dbraw/zinc/01/99/05/396019905.db2.gz YRYROUPCRZVCHF-UHFFFAOYSA-N 0 0 318.333 0.914 50 0 DCAARN CSCC[C@@H](CO)NC(=O)[C@H](c1ccccc1)n1cnnn1 ZINC000252497985 396021934 /nfs/dbraw/zinc/02/19/34/396021934.db2.gz QSZZLTWGIIRHBS-STQMWFEESA-N 0 0 321.406 0.493 50 0 DCAARN O[C@H](CN1CCO[C@H](Cn2cncn2)C1)c1ccc(F)cc1 ZINC000069809287 396090929 /nfs/dbraw/zinc/09/09/29/396090929.db2.gz UNETVDKQPLZTRC-LSDHHAIUSA-N 0 0 306.341 0.852 50 0 DCAARN Cn1nc2n(c1=O)CC[C@@H](NC(=O)c1cc(C3CC3)n[nH]1)CC2 ZINC000169783456 396091631 /nfs/dbraw/zinc/09/16/31/396091631.db2.gz IYFXQTZJSFLSRG-JTQLQIEISA-N 0 0 316.365 0.317 50 0 DCAARN CCOCCN1CCN(CC(=O)Nc2cc(C)nn2C)C[C@@H]1C ZINC000069842257 396091729 /nfs/dbraw/zinc/09/17/29/396091729.db2.gz JYNXTBJIRVAFKT-AWEZNQCLSA-N 0 0 323.441 0.710 50 0 DCAARN CCOc1ccc(C(=O)N2CCc3nn(C)c(=O)n3CC2)cc1 ZINC000169783649 396091732 /nfs/dbraw/zinc/09/17/32/396091732.db2.gz QFAIRJYGSDTTAY-UHFFFAOYSA-N 0 0 316.361 0.679 50 0 DCAARN Cc1cccc(C)c1-n1nnnc1CN[C@@H]1CCc2ncnn2C1 ZINC000069902511 396094242 /nfs/dbraw/zinc/09/42/42/396094242.db2.gz LEKVPOREJWTONZ-CYBMUJFWSA-N 0 0 324.392 0.975 50 0 DCAARN C[C@@](O)(CCNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000170085583 396094293 /nfs/dbraw/zinc/09/42/93/396094293.db2.gz BTCKQHNULBYCQY-IUODEOHRSA-N 0 0 311.403 0.835 50 0 DCAARN C[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)CCN1CCO ZINC000170085782 396094435 /nfs/dbraw/zinc/09/44/35/396094435.db2.gz SCQFQGSXIBIZQR-SECBINFHSA-N 0 0 316.199 0.916 50 0 DCAARN CC(C)(C(=O)N1CCC2(CC1)NCCNC2=O)n1cccc1 ZINC000071314956 396112378 /nfs/dbraw/zinc/11/23/78/396112378.db2.gz JNEFBCMMSCTFNZ-UHFFFAOYSA-N 0 0 304.394 0.304 50 0 DCAARN C[C@H](C(=O)Nc1nncs1)n1nnc2ccccc2c1=O ZINC000071334000 396112472 /nfs/dbraw/zinc/11/24/72/396112472.db2.gz BFJPIRRJFWQGPX-SSDOTTSWSA-N 0 0 302.319 0.843 50 0 DCAARN CCOC(=O)c1nccn1Cc1ccc(S(N)(=O)=O)cc1 ZINC000071639723 396114627 /nfs/dbraw/zinc/11/46/27/396114627.db2.gz KLNAPWUFFIIHRP-UHFFFAOYSA-N 0 0 309.347 0.756 50 0 DCAARN Cc1ccccc1CC(=O)N1CCN([C@@H]2CCOC2=O)CC1 ZINC000071851715 396118423 /nfs/dbraw/zinc/11/84/23/396118423.db2.gz WRDRPFXVWWMPCK-OAHLLOKOSA-N 0 0 302.374 0.997 50 0 DCAARN COCCN1CCN(CC(=O)NCCc2ccccc2)C[C@H]1C ZINC000071864755 396119327 /nfs/dbraw/zinc/11/93/27/396119327.db2.gz RKYDLLKYBQDFIQ-MRXNPFEDSA-N 0 0 319.449 0.998 50 0 DCAARN Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)c1 ZINC000071866861 396119451 /nfs/dbraw/zinc/11/94/51/396119451.db2.gz BWUPKFSIMPKOBS-KGLIPLIRSA-N 0 0 319.409 0.973 50 0 DCAARN c1nnc2ccc(N3CCN(c4ncnc5c4CCC5)CC3)nn12 ZINC000071859481 396119640 /nfs/dbraw/zinc/11/96/40/396119640.db2.gz ZOJJYASVMZTRPQ-UHFFFAOYSA-N 0 0 322.376 0.730 50 0 DCAARN Cc1ccc(NC2CCN(C(=O)CN3CCCC3=O)CC2)nn1 ZINC000071863527 396119909 /nfs/dbraw/zinc/11/99/09/396119909.db2.gz HOYOLRUCFFCWAO-UHFFFAOYSA-N 0 0 317.393 0.810 50 0 DCAARN CC(C)c1nc2n(n1)C[C@H](NCc1nnnn1C1CC1)CC2 ZINC000071871819 396120614 /nfs/dbraw/zinc/12/06/14/396120614.db2.gz MPMSACIHWGFBGK-SNVBAGLBSA-N 0 0 302.386 0.828 50 0 DCAARN c1cc(-c2noc(CN3CCO[C@@H](Cn4cncn4)C3)n2)co1 ZINC000071876621 396121374 /nfs/dbraw/zinc/12/13/74/396121374.db2.gz OFHLKCJGDUZWFQ-GFCCVEGCSA-N 0 0 316.321 0.822 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000071881950 396122572 /nfs/dbraw/zinc/12/25/72/396122572.db2.gz YDIIWEPDQZPVLI-HNNXBMFYSA-N 0 0 310.369 0.981 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C ZINC000071880135 396122670 /nfs/dbraw/zinc/12/26/70/396122670.db2.gz GMSGCBOWJAZHNR-JTQLQIEISA-N 0 0 315.439 0.529 50 0 DCAARN CC(C)=CC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000071893416 396123390 /nfs/dbraw/zinc/12/33/90/396123390.db2.gz OBYFHBSEYKCHDS-CQSZACIVSA-N 0 0 309.410 0.344 50 0 DCAARN Cc1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)o1 ZINC000071924500 396125405 /nfs/dbraw/zinc/12/54/05/396125405.db2.gz YVFOTWSYLKRWMH-LBPRGKRZSA-N 0 0 312.391 0.533 50 0 DCAARN Clc1snnc1CN1CCO[C@@H](Cn2cncn2)C1 ZINC000072253368 396127178 /nfs/dbraw/zinc/12/71/78/396127178.db2.gz LMJFWTIXSANOGW-MRVPVSSYSA-N 0 0 300.775 0.684 50 0 DCAARN O=C(CCNCC(F)(F)F)N1CCC[C@@H](n2cncn2)C1 ZINC000072253238 396127242 /nfs/dbraw/zinc/12/72/42/396127242.db2.gz MPQWQZKHSQMDEP-SNVBAGLBSA-N 0 0 305.304 0.984 50 0 DCAARN CN(C)C(=O)Cc1nc(CN[C@@H]2CCc3ncnn3C2)cs1 ZINC000072267456 396128006 /nfs/dbraw/zinc/12/80/06/396128006.db2.gz GXSOZQMEBAQAJB-SNVBAGLBSA-N 0 0 320.422 0.470 50 0 DCAARN Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000072290687 396129816 /nfs/dbraw/zinc/12/98/16/396129816.db2.gz HPGAQBSVIYYDTN-GDZNZVCISA-N 0 0 313.357 0.909 50 0 DCAARN CNC(=O)Cn1cnc(NC(=O)CCc2cccc(F)c2)n1 ZINC000072296987 396129877 /nfs/dbraw/zinc/12/98/77/396129877.db2.gz CIESGXNLBXLNIC-UHFFFAOYSA-N 0 0 305.313 0.735 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)NCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000069350708 396075797 /nfs/dbraw/zinc/07/57/97/396075797.db2.gz DHERFWYMDYXRHB-MELADBBJSA-N 0 0 309.414 0.680 50 0 DCAARN CCn1ccnc1CN1CCN(CCN2CCCC2=O)CC1 ZINC000069385046 396076676 /nfs/dbraw/zinc/07/66/76/396076676.db2.gz IQZNKNODCNHGNQ-UHFFFAOYSA-N 0 0 305.426 0.643 50 0 DCAARN COC(=O)CNC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C ZINC000069438490 396078781 /nfs/dbraw/zinc/07/87/81/396078781.db2.gz BGLRAIOYOKTCQS-MRVPVSSYSA-N 0 0 304.368 0.586 50 0 DCAARN COCCn1ccc(NC(=O)CNC(=O)c2ccccc2)n1 ZINC000069454976 396078991 /nfs/dbraw/zinc/07/89/91/396078991.db2.gz QBDITQMOWKUXDF-UHFFFAOYSA-N 0 0 302.334 0.898 50 0 DCAARN C[C@@H]1CN(C[C@H](O)CN2CCc3cncnc3C2)C[C@H](C)O1 ZINC000069626598 396085262 /nfs/dbraw/zinc/08/52/62/396085262.db2.gz LGNGDBSFWFBMTA-VNHYZAJKSA-N 0 0 306.410 0.305 50 0 DCAARN Cc1ccc(C)c(S(=O)(=O)CCN2CCNC(=O)CC2)c1 ZINC000073698158 396149039 /nfs/dbraw/zinc/14/90/39/396149039.db2.gz LNTDTNCLNZWMGY-UHFFFAOYSA-N 0 0 310.419 0.899 50 0 DCAARN Cc1noc(C)c1CNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000074849490 396173016 /nfs/dbraw/zinc/17/30/16/396173016.db2.gz OLHMSGUZBQBLJD-UHFFFAOYSA-N 0 0 315.395 0.579 50 0 DCAARN Cn1cccc1[C@@H]1CCCN1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000177613110 396179571 /nfs/dbraw/zinc/17/95/71/396179571.db2.gz SXGXWYLDUNNEPT-FPMFFAJLSA-N 0 0 320.393 0.905 50 0 DCAARN CCCCn1nnnc1CN1CCC(N2CCN(C)C2=O)CC1 ZINC000075604054 396182359 /nfs/dbraw/zinc/18/23/59/396182359.db2.gz IXNHOYSEUFGZFA-UHFFFAOYSA-N 0 0 321.429 0.805 50 0 DCAARN CC(=O)N1CCCC[C@@H]1CC(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000075603022 396182572 /nfs/dbraw/zinc/18/25/72/396182572.db2.gz VIKVLTMTGDSQFW-UKRRQHHQSA-N 0 0 311.426 0.303 50 0 DCAARN CCc1nc([C@H]2CCCN2C(=O)Cn2nc(C)ccc2=O)no1 ZINC000076044027 396192883 /nfs/dbraw/zinc/19/28/83/396192883.db2.gz RJRMPQUJBXHMDA-LLVKDONJSA-N 0 0 317.349 0.861 50 0 DCAARN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)no1 ZINC000076043736 396193214 /nfs/dbraw/zinc/19/32/14/396193214.db2.gz JLVNOBWSNILJGO-MNOVXSKESA-N 0 0 307.354 0.832 50 0 DCAARN Cc1nnc([C@@H]2CN(CC(=O)NCc3ccccn3)CCO2)[nH]1 ZINC000076048090 396194045 /nfs/dbraw/zinc/19/40/45/396194045.db2.gz IJJCVGWJNLRWRC-ZDUSSCGKSA-N 0 0 316.365 0.198 50 0 DCAARN NC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)Cc1ccccc1F ZINC000076061960 396195660 /nfs/dbraw/zinc/19/56/60/396195660.db2.gz JANBJSIEAJJEOD-CMPLNLGQSA-N 0 0 300.355 0.899 50 0 DCAARN NC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1ccccc1F ZINC000076061967 396195815 /nfs/dbraw/zinc/19/58/15/396195815.db2.gz JANBJSIEAJJEOD-ZYHUDNBSSA-N 0 0 300.355 0.899 50 0 DCAARN Cc1nc([C@H]2CCCN2C(=O)CN2CCOCC2=O)cs1 ZINC000280436161 396200847 /nfs/dbraw/zinc/20/08/47/396200847.db2.gz JYKFCXLUYSVHLQ-GFCCVEGCSA-N 0 0 309.391 0.974 50 0 DCAARN COC(=O)C(C)(C)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000078079885 396238805 /nfs/dbraw/zinc/23/88/05/396238805.db2.gz ZJZIAVZOSYPMJJ-CQSZACIVSA-N 0 0 320.389 0.955 50 0 DCAARN CC[C@@H](CO)N1CCN(c2ccccc2S(C)(=O)=O)CC1 ZINC000078524582 396246601 /nfs/dbraw/zinc/24/66/01/396246601.db2.gz FLCDPWFLFUHKGV-ZDUSSCGKSA-N 0 0 312.435 0.983 50 0 DCAARN CCCc1nnc([C@@H]2CN(C(=O)c3cnccn3)CCO2)[nH]1 ZINC000078889957 396256323 /nfs/dbraw/zinc/25/63/23/396256323.db2.gz LHCONJGGMZRCLH-NSHDSACASA-N 0 0 302.338 0.761 50 0 DCAARN Cn1ccc(CN2CCO[C@@H](CNc3cccnn3)C2)cc1=O ZINC000078893467 396257055 /nfs/dbraw/zinc/25/70/55/396257055.db2.gz VVVWDGKZFOUNAZ-AWEZNQCLSA-N 0 0 315.377 0.488 50 0 DCAARN CS(=O)(=O)CCCN1CCO[C@@H](CNc2cccnn2)C1 ZINC000078893418 396257414 /nfs/dbraw/zinc/25/74/14/396257414.db2.gz RIRJQZMKNRIALB-LBPRGKRZSA-N 0 0 314.411 0.024 50 0 DCAARN COCCNC(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000079350540 396264300 /nfs/dbraw/zinc/26/43/00/396264300.db2.gz AISAOWWKVZVUFF-UHFFFAOYSA-N 0 0 301.284 0.860 50 0 DCAARN CCCOCC(=O)NC[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000077408324 396221204 /nfs/dbraw/zinc/22/12/04/396221204.db2.gz DGPDOKKPUWOCTK-LBPRGKRZSA-N 0 0 308.382 0.149 50 0 DCAARN O=C(Cn1ccnc1)N1CCCC[C@@H]1CCN1CCOCC1 ZINC000077520933 396224903 /nfs/dbraw/zinc/22/49/03/396224903.db2.gz LXAMBDWGFDBBFV-OAHLLOKOSA-N 0 0 306.410 0.987 50 0 DCAARN O[C@@H](COC[C@H]1CCCO1)CN1CCn2c(nnc2C2CC2)C1 ZINC000084136763 396318388 /nfs/dbraw/zinc/31/83/88/396318388.db2.gz DNDMKZOMINWGRH-ZIAGYGMSSA-N 0 0 322.409 0.528 50 0 DCAARN COC(=O)[C@H]1C[C@@H](O)CN1Cc1cnn(C)c1C(F)(F)F ZINC000185537474 396329666 /nfs/dbraw/zinc/32/96/66/396329666.db2.gz KBNFIHJSYLCNFZ-RKDXNWHRSA-N 0 0 307.272 0.547 50 0 DCAARN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)NCCS(C)(=O)=O ZINC000187701715 396373017 /nfs/dbraw/zinc/37/30/17/396373017.db2.gz IYYKJWWBRCIILJ-RYUDHWBXSA-N 0 0 306.428 0.924 50 0 DCAARN Cc1c[nH]c(CN2CCN(S(=O)(=O)N3CCCC3)CC2)n1 ZINC000584889146 396633231 /nfs/dbraw/zinc/63/32/31/396633231.db2.gz FUKXQRVYIVUJCI-UHFFFAOYSA-N 0 0 313.427 0.176 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)CCc3nncn3C)nc2c1 ZINC000584888259 396633391 /nfs/dbraw/zinc/63/33/91/396633391.db2.gz VHBQCBAESHWCTM-UHFFFAOYSA-N 0 0 314.349 0.949 50 0 DCAARN CC[C@@H](NC(=O)CNS(C)(=O)=O)c1nc(C)c(C)s1 ZINC000584896436 396635286 /nfs/dbraw/zinc/63/52/86/396635286.db2.gz MNNQXBUUDBVKIY-SECBINFHSA-N 0 0 305.425 0.876 50 0 DCAARN COCCc1noc([C@H](C)NC(=O)Cn2ccccc2=O)n1 ZINC000584898381 396635457 /nfs/dbraw/zinc/63/54/57/396635457.db2.gz SYDXEIUMTUQXFN-JTQLQIEISA-N 0 0 306.322 0.298 50 0 DCAARN CCCc1nnsc1C(=O)N1CC(CN2C(=O)CCC2=O)C1 ZINC000585148678 396642296 /nfs/dbraw/zinc/64/22/96/396642296.db2.gz AEWJIPFVBDOLED-UHFFFAOYSA-N 0 0 322.390 0.712 50 0 DCAARN C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)c1ccn2nnnc2c1 ZINC000619271650 397109358 /nfs/dbraw/zinc/10/93/58/397109358.db2.gz VATILVBYBIGZDU-OIBJUYFYSA-N 0 0 315.255 0.916 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3ccn(C)n3)C2)c1 ZINC000390831724 397303094 /nfs/dbraw/zinc/30/30/94/397303094.db2.gz UJRIBFCLXZIGSV-LLVKDONJSA-N 0 0 309.395 0.722 50 0 DCAARN CN1c2ccc(NC(=O)[C@@H]3CCOC3)cc2N(C)S1(=O)=O ZINC000390827603 397303113 /nfs/dbraw/zinc/30/31/13/397303113.db2.gz ZQODAOQUYBVXFT-SECBINFHSA-N 0 0 311.363 0.792 50 0 DCAARN O=C(c1cnccn1)N1CC(n2cnnc2[C@@H]2CCCO2)C1 ZINC000409421618 397359497 /nfs/dbraw/zinc/35/94/97/397359497.db2.gz IGWVYAHSLASSFR-LBPRGKRZSA-N 0 0 300.322 0.617 50 0 DCAARN CCCn1[nH]ccc1=NC(=O)Cn1nnc(-c2ccco2)n1 ZINC000606444016 397681333 /nfs/dbraw/zinc/68/13/33/397681333.db2.gz XVEXKXJAIUAFAK-UHFFFAOYSA-N 0 0 301.310 0.600 50 0 DCAARN COc1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@H]32)c(OC)c1 ZINC000032912477 286323785 /nfs/dbraw/zinc/32/37/85/286323785.db2.gz VATWDXNNZQSYIC-BXKDBHETSA-N 0 0 311.359 0.854 50 0 DCAARN CS(=O)(=O)CCN1C(=O)N[C@H](CCc2ccccc2)C1=O ZINC000071824998 286596666 /nfs/dbraw/zinc/59/66/66/286596666.db2.gz JPOQFHXYCJUQJF-GFCCVEGCSA-N 0 0 310.375 0.584 50 0 DCAARN O[C@H](Cn1cccn1)CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000172657209 158397678 /nfs/dbraw/zinc/39/76/78/158397678.db2.gz WUCRBXBOGGGEQP-VIFPVBQESA-N 0 0 316.287 0.370 50 0 DCAARN CC[C@@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)C[C@@]2(CCOC2)O1 ZINC000330093400 159140940 /nfs/dbraw/zinc/14/09/40/159140940.db2.gz ZTDUZHAJCMWUKX-MGPQQGTHSA-N 0 0 319.423 0.623 50 0 DCAARN Cc1nnnn1-c1cccc(NC(=O)c2ccc(=O)n(C)c2)c1 ZINC000132134268 287003796 /nfs/dbraw/zinc/00/37/96/287003796.db2.gz NXGLBYURBQXJQD-UHFFFAOYSA-N 0 0 310.317 0.922 50 0 DCAARN CCn1nccc1[C@@H]1C(C(N)=O)=C(C)Nc2nc(SC)nn21 ZINC000020607133 415153059 /nfs/dbraw/zinc/15/30/59/415153059.db2.gz OTJBVPRVBMRBAA-SNVBAGLBSA-N 0 0 319.394 0.991 50 0 DCAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cnn(C)c2)cc1 ZINC000025304701 415160915 /nfs/dbraw/zinc/16/09/15/415160915.db2.gz CSHBAXXEXRNXIH-UHFFFAOYSA-N 0 0 322.390 0.988 50 0 DCAARN O=C(CN1CCN(C[C@@H](O)c2ccc(F)cc2)CC1)NC1CC1 ZINC000025300969 415162967 /nfs/dbraw/zinc/16/29/67/415162967.db2.gz HJKNGAWOGKZWLS-MRXNPFEDSA-N 0 0 321.396 0.755 50 0 DCAARN CC1(C)Cc2c(sc3c2-n2nnnc2-n2nnnc2-3)CO1 ZINC000000501951 415125787 /nfs/dbraw/zinc/12/57/87/415125787.db2.gz PDZSVNFHKWFKTR-UHFFFAOYSA-N 0 0 302.323 0.531 50 0 DCAARN O=C(C1CC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000025382200 415163663 /nfs/dbraw/zinc/16/36/63/415163663.db2.gz VAVODQSOTSIPFR-HNNXBMFYSA-N 0 0 316.357 0.907 50 0 DCAARN COCCNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCO2 ZINC000006832419 415135172 /nfs/dbraw/zinc/13/51/72/415135172.db2.gz LCYWOESKDYBIAT-UHFFFAOYSA-N 0 0 314.363 0.357 50 0 DCAARN CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000007308575 415136950 /nfs/dbraw/zinc/13/69/50/415136950.db2.gz BSFGWIGHBKAHDC-UHFFFAOYSA-N 0 0 304.318 0.818 50 0 DCAARN CCS(=O)(=O)N1CCC(C(=O)NCc2ccncc2)CC1 ZINC000007468804 415141554 /nfs/dbraw/zinc/14/15/54/415141554.db2.gz PZDIQIWECNGQDT-UHFFFAOYSA-N 0 0 311.407 0.760 50 0 DCAARN CCCOc1ccnc2c1c(=O)n(CCOCC)c(=O)n2C ZINC000009571970 415143969 /nfs/dbraw/zinc/14/39/69/415143969.db2.gz YJUPHJNSBDHVGU-UHFFFAOYSA-N 0 0 307.350 0.921 50 0 DCAARN O=S1(=O)C[C@H]2[C@@H](C1)NC(=S)N2c1ccc(F)cc1F ZINC000009341053 415146807 /nfs/dbraw/zinc/14/68/07/415146807.db2.gz KSTVTTFNMLJMNA-SCZZXKLOSA-N 0 0 304.343 0.825 50 0 DCAARN COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N(C)C)c1 ZINC000025658208 415166022 /nfs/dbraw/zinc/16/60/22/415166022.db2.gz VFDAZFWZIMBLOC-UHFFFAOYSA-N 0 0 316.379 0.413 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCOc1ccccc1 ZINC000025646056 415166381 /nfs/dbraw/zinc/16/63/81/415166381.db2.gz IBNFJGZZWUKUDK-CYBMUJFWSA-N 0 0 312.391 0.606 50 0 DCAARN C[C@H](NC(=O)Cn1nnn(-c2cccs2)c1=O)[C@H]1CCCO1 ZINC000027893235 415173396 /nfs/dbraw/zinc/17/33/96/415173396.db2.gz INTJBTCCCDTTRD-VHSXEESVSA-N 0 0 323.378 0.174 50 0 DCAARN C[C@H](Cn1ccnc1)NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000042535755 415209769 /nfs/dbraw/zinc/20/97/69/415209769.db2.gz JESBOMOVLKLFAM-VXGBXAGGSA-N 0 0 314.411 0.202 50 0 DCAARN Cc1cc(NC(=O)c2nn(C)c3c2CS(=O)(=O)CC3)no1 ZINC000041120869 415197427 /nfs/dbraw/zinc/19/74/27/415197427.db2.gz DFPFSVZESREBPB-UHFFFAOYSA-N 0 0 310.335 0.440 50 0 DCAARN CN(C(=O)[C@H]1CC(=O)Nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000040488069 415197697 /nfs/dbraw/zinc/19/76/97/415197697.db2.gz SZIKDGASECNMMS-PWSUYJOCSA-N 0 0 322.386 0.758 50 0 DCAARN COc1ccc(F)cc1C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000044908026 415232473 /nfs/dbraw/zinc/23/24/73/415232473.db2.gz DTGCTBWEXAHEEN-VIFPVBQESA-N 0 0 301.339 0.999 50 0 DCAARN CNS(=O)(=O)c1ccc(CNC(=O)N[C@H](C)COC)cc1 ZINC000044948559 415234744 /nfs/dbraw/zinc/23/47/44/415234744.db2.gz ZJACEARGYXZDAK-SNVBAGLBSA-N 0 0 315.395 0.429 50 0 DCAARN C[C@@H](OCC(F)(F)F)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000044939360 415234764 /nfs/dbraw/zinc/23/47/64/415234764.db2.gz QKYROPOHLVRHEA-MRVPVSSYSA-N 0 0 318.317 0.058 50 0 DCAARN CC(C)c1noc(CCC(=O)NC[C@H]2CCS(=O)(=O)C2)n1 ZINC000044918587 415234814 /nfs/dbraw/zinc/23/48/14/415234814.db2.gz YVUHPALRZYQORE-SNVBAGLBSA-N 0 0 315.395 0.677 50 0 DCAARN C[C@@H](CNC(=O)NC[C@H](c1ccco1)N(C)C)N1CCOCC1 ZINC000044949270 415238632 /nfs/dbraw/zinc/23/86/32/415238632.db2.gz PIBVQLIEQPUJRY-UONOGXRCSA-N 0 0 324.425 0.902 50 0 DCAARN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(CCO)CC1 ZINC000045311414 415247949 /nfs/dbraw/zinc/24/79/49/415247949.db2.gz HUPBECCXLYMEST-GFCCVEGCSA-N 0 0 302.378 0.594 50 0 DCAARN NC(=O)C1CCN(C(=O)CCS(=O)(=O)C2CCCC2)CC1 ZINC000047721029 415277653 /nfs/dbraw/zinc/27/76/53/415277653.db2.gz POVVLRJLTAOBQX-UHFFFAOYSA-N 0 0 316.423 0.458 50 0 DCAARN O=c1cc(CN2CCN(Cc3ccsc3)CC2)[nH]c(=O)[nH]1 ZINC000044874310 415229863 /nfs/dbraw/zinc/22/98/63/415229863.db2.gz AJSVAKCJMDLYET-UHFFFAOYSA-N 0 0 306.391 0.443 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)N[C@H](C)c2nnc3n2CCC3)CC1=O ZINC000048253509 415286252 /nfs/dbraw/zinc/28/62/52/415286252.db2.gz YSDGKYDPVSZEDC-NEPJUHHUSA-N 0 0 319.409 0.906 50 0 DCAARN O=C(CN1CCC[C@@H](O)C1)NCCc1ccc2c(c1)OCCO2 ZINC000048301555 415292298 /nfs/dbraw/zinc/29/22/98/415292298.db2.gz YZUFPCNPGIEWLJ-CQSZACIVSA-N 0 0 320.389 0.573 50 0 DCAARN CCCCN(CC(N)=O)S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000048666459 415296934 /nfs/dbraw/zinc/29/69/34/415296934.db2.gz HOVZRFOTOADESZ-UHFFFAOYSA-N 0 0 322.818 0.658 50 0 DCAARN CC(C)(C)c1ncc2c(n1)CN(C(=O)CNS(C)(=O)=O)C2 ZINC000067934037 415391539 /nfs/dbraw/zinc/39/15/39/415391539.db2.gz WFFKMMOQHBVFAB-UHFFFAOYSA-N 0 0 312.395 0.166 50 0 DCAARN Cc1n[nH]c(CCC(=O)N2CC[NH2+]C[C@H](CC(=O)[O-])C2)c1C ZINC000071753128 415407549 /nfs/dbraw/zinc/40/75/49/415407549.db2.gz DFUWVOQSTYTFMU-LBPRGKRZSA-N 0 0 308.382 0.482 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)N[C@@H](C)Cc1ccc(C)cc1C ZINC000066444054 415362264 /nfs/dbraw/zinc/36/22/64/415362264.db2.gz YCFQFKYEGLYZEA-ZDUSSCGKSA-N 0 0 319.405 0.603 50 0 DCAARN CCCCN(CCN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000066559267 415362638 /nfs/dbraw/zinc/36/26/38/415362638.db2.gz VMRNCLKWZNEULG-CYBMUJFWSA-N 0 0 302.440 0.898 50 0 DCAARN COC(=O)CNC(=O)CNC(=O)NCc1ccc(Cl)cc1 ZINC000066591152 415364919 /nfs/dbraw/zinc/36/49/19/415364919.db2.gz LDZWDUBMRMKZDU-UHFFFAOYSA-N 0 0 313.741 0.428 50 0 DCAARN O=C(Cc1ccccc1O)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC000332396036 415377781 /nfs/dbraw/zinc/37/77/81/415377781.db2.gz LORCRJCHEAZVJS-AWEZNQCLSA-N 0 0 316.361 0.882 50 0 DCAARN O=C(NC1(CO)CCCC1)c1cc(CN2CCOCC2)on1 ZINC000067674736 415381245 /nfs/dbraw/zinc/38/12/45/415381245.db2.gz OPECSACEIAKVJU-UHFFFAOYSA-N 0 0 309.366 0.542 50 0 DCAARN CCN1CCN(Cc2cc(C(=O)N3CC[C@@H](O)C3)no2)CC1 ZINC000067724103 415383681 /nfs/dbraw/zinc/38/36/81/415383681.db2.gz QWGWNYNSCIHBHO-GFCCVEGCSA-N 0 0 308.382 0.019 50 0 DCAARN O=C(N[C@H]1CCCNC1=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000075126152 415439682 /nfs/dbraw/zinc/43/96/82/415439682.db2.gz XIVYPVRQCAVLGJ-NSHDSACASA-N 0 0 301.302 0.643 50 0 DCAARN COc1ccccc1CCNC(=O)[C@H]1CSCCC(=O)N1 ZINC000075171170 415440609 /nfs/dbraw/zinc/44/06/09/415440609.db2.gz HFCXVYMUKRGUJY-GFCCVEGCSA-N 0 0 308.403 0.976 50 0 DCAARN O=C(NC[C@H](O)c1ccoc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000075171950 415442196 /nfs/dbraw/zinc/44/21/96/415442196.db2.gz XRNRPEYBQIQRNW-NSHDSACASA-N 0 0 318.285 0.797 50 0 DCAARN O=C(c1ccc2c(c1)OCCCO2)N1CCN(CCO)CC1 ZINC000075572105 415445722 /nfs/dbraw/zinc/44/57/22/415445722.db2.gz VZCDOWWMKKSGBZ-UHFFFAOYSA-N 0 0 306.362 0.598 50 0 DCAARN O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1ccncc1 ZINC000075572918 415446676 /nfs/dbraw/zinc/44/66/76/415446676.db2.gz JKWNNHIHTNCHSA-LLVKDONJSA-N 0 0 320.378 0.978 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1 ZINC000075602898 415447069 /nfs/dbraw/zinc/44/70/69/415447069.db2.gz SITIEBBGDQFBMC-CYBMUJFWSA-N 0 0 315.377 0.406 50 0 DCAARN Cc1cccn2cc(CC(=O)N3CCN(C[C@H](C)O)CC3)nc12 ZINC000075603004 415448432 /nfs/dbraw/zinc/44/84/32/415448432.db2.gz ZQASYDNYDVBOBZ-AWEZNQCLSA-N 0 0 316.405 0.710 50 0 DCAARN CCCc1noc(CN2CCN(c3cnn(C)c3)C(=O)C2)n1 ZINC000084759055 415502292 /nfs/dbraw/zinc/50/22/92/415502292.db2.gz KSWLICDKEFLWOS-UHFFFAOYSA-N 0 0 304.354 0.604 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)c2ccc3nnc(C)n3c2)CC1 ZINC000075606108 415451794 /nfs/dbraw/zinc/45/17/94/415451794.db2.gz KCFYWGHHRKZYLD-CQSZACIVSA-N 0 0 317.393 0.566 50 0 DCAARN CC[C@H]1CN(C(=O)c2ccc(OC)nn2)C[C@@H]1N1CCOCC1 ZINC000084736083 415502471 /nfs/dbraw/zinc/50/24/71/415502471.db2.gz URICKAZSSNCIFF-JSGCOSHPSA-N 0 0 320.393 0.668 50 0 DCAARN O=C(CCn1ccc(=O)[nH]c1=O)Nc1nc2c(s1)COCC2 ZINC000077155564 415460651 /nfs/dbraw/zinc/46/06/51/415460651.db2.gz OOCWOUSYFRHVAD-UHFFFAOYSA-N 0 0 322.346 0.095 50 0 DCAARN CC(C)[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)c1cnccn1 ZINC000091326088 415536035 /nfs/dbraw/zinc/53/60/35/415536035.db2.gz AWTALXUMPLLNEM-PWSUYJOCSA-N 0 0 312.395 0.122 50 0 DCAARN Cc1nnnn1[C@@H](C(=O)N1CCc2[nH]cnc2C1)c1ccccc1 ZINC000095357689 415555142 /nfs/dbraw/zinc/55/51/42/415555142.db2.gz SOVCKDBBDDUXHN-OAHLLOKOSA-N 0 0 323.360 0.879 50 0 DCAARN O=C(N[C@H]1C=CS(=O)(=O)C1)C1CCN(Cc2ccco2)CC1 ZINC000095363927 415555760 /nfs/dbraw/zinc/55/57/60/415555760.db2.gz UGRFQZPYDICCFP-ZDUSSCGKSA-N 0 0 324.402 0.919 50 0 DCAARN CC1(C)CN=C(N2CCN(C[C@H](O)Cn3cccn3)CC2)S1 ZINC000095409815 415556178 /nfs/dbraw/zinc/55/61/78/415556178.db2.gz DCFFHVSIONJCPS-ZDUSSCGKSA-N 0 0 323.466 0.743 50 0 DCAARN CCn1nc(-c2csc(C)n2)nc1C[C@H]1NC(=O)NC1=O ZINC000095378232 415558695 /nfs/dbraw/zinc/55/86/95/415558695.db2.gz GTTJNAOCLSIAPT-SSDOTTSWSA-N 0 0 306.351 0.480 50 0 DCAARN COCCn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C ZINC000095947965 415562034 /nfs/dbraw/zinc/56/20/34/415562034.db2.gz MOWMFZYLZVCCPE-UHFFFAOYSA-N 0 0 303.384 0.167 50 0 DCAARN CNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1c(C)noc1C ZINC000095953216 415562075 /nfs/dbraw/zinc/56/20/75/415562075.db2.gz VFEUAXVRCLGEAZ-SNVBAGLBSA-N 0 0 303.384 0.730 50 0 DCAARN CCN1CCN(CC(=O)N2Cc3ccccc3C2)C(=O)C1=O ZINC000095503607 415563324 /nfs/dbraw/zinc/56/33/24/415563324.db2.gz NWZJWBOJPWAKAM-UHFFFAOYSA-N 0 0 301.346 0.220 50 0 DCAARN CC(C)CCS(=O)(=O)CC(=O)Nc1ccc(=O)n(C)c1 ZINC000095954075 415563764 /nfs/dbraw/zinc/56/37/64/415563764.db2.gz WVOMIGIGNGQRIA-UHFFFAOYSA-N 0 0 300.380 0.785 50 0 DCAARN CO[C@@H]1[C@H](C)[C@@H](NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1(C)C ZINC000095986549 415566614 /nfs/dbraw/zinc/56/66/14/415566614.db2.gz SYYGWYVTIAKZIS-GWOFURMSSA-N 0 0 304.412 0.532 50 0 DCAARN CC(C)Cn1cnc(S(=O)(=O)NC[C@H]2CCC[C@H]2O)c1 ZINC000095975520 415566872 /nfs/dbraw/zinc/56/68/72/415566872.db2.gz CZNYOEYZLMFFEF-VXGBXAGGSA-N 0 0 301.412 0.978 50 0 DCAARN COCCN1C[C@@H](C(=O)Nc2ccc(O)c(OC)c2)CC1=O ZINC000281691487 415568098 /nfs/dbraw/zinc/56/80/98/415568098.db2.gz BPXQNMXPHOGEHJ-JTQLQIEISA-N 0 0 308.334 0.834 50 0 DCAARN CC[C@@H](CO)N1CCN(C(=O)c2ccn3ccnc3c2)CC1 ZINC000095976247 415568471 /nfs/dbraw/zinc/56/84/71/415568471.db2.gz HZUJTHPYFJQYAT-AWEZNQCLSA-N 0 0 302.378 0.863 50 0 DCAARN C/C=C/C=C\C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000096102349 415577847 /nfs/dbraw/zinc/57/78/47/415577847.db2.gz RICRYDUYPCCOKB-AEBZXZCJSA-N 0 0 321.421 0.510 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCN(C(=O)CCc2ccsc2)C1 ZINC000299758016 416063690 /nfs/dbraw/zinc/06/36/90/416063690.db2.gz JYAHGUMMTQEKOB-LLVKDONJSA-N 0 0 302.421 0.818 50 0 DCAARN CCn1ncc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)c1C ZINC000299755511 416064826 /nfs/dbraw/zinc/06/48/26/416064826.db2.gz DTIIDCOFKXUMRC-UONOGXRCSA-N 0 0 316.365 0.789 50 0 DCAARN COCCn1cnnc1[C@@H](C)NC(=O)c1ccc(OC)nc1 ZINC000299784472 416067562 /nfs/dbraw/zinc/06/75/62/416067562.db2.gz HVNNRLBSLJJTAR-SNVBAGLBSA-N 0 0 305.338 0.819 50 0 DCAARN Cn1nc2c(c1C(=O)N1CCN3C(=O)OC[C@H]3C1)CCCC2 ZINC000299780361 416067617 /nfs/dbraw/zinc/06/76/17/416067617.db2.gz UQHAGYALXQDDLW-SNVBAGLBSA-N 0 0 304.350 0.576 50 0 DCAARN CNC(=O)c1ccc(CNC(=O)CCCn2cnnn2)cc1 ZINC000299777218 416067803 /nfs/dbraw/zinc/06/78/03/416067803.db2.gz PNPPPCPCPURMGL-UHFFFAOYSA-N 0 0 302.338 0.129 50 0 DCAARN Cc1nccn1CCC(=O)N1CCCN(CC(=O)N(C)C)CC1 ZINC000299786397 416069985 /nfs/dbraw/zinc/06/99/85/416069985.db2.gz SZPWIQBIZRWPRU-UHFFFAOYSA-N 0 0 321.425 0.204 50 0 DCAARN CNC(=O)[C@H](CO)NS(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000170595708 416026610 /nfs/dbraw/zinc/02/66/10/416026610.db2.gz FIDXSMUQYQBGEA-JTQLQIEISA-N 0 0 324.761 0.005 50 0 DCAARN C[C@@H](NC(=O)c1cc(=O)[nH]c(N(C)C)n1)C(=O)NC(C)(C)C ZINC000170596516 416027041 /nfs/dbraw/zinc/02/70/41/416027041.db2.gz NPPYEDCNUSPQRS-MRVPVSSYSA-N 0 0 309.370 0.281 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)[C@H]2COc3ccccc3O2)cn1 ZINC000298922228 416039623 /nfs/dbraw/zinc/03/96/23/416039623.db2.gz GJCKFQTVAJYJEM-CYBMUJFWSA-N 0 0 316.317 0.408 50 0 DCAARN COC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000330648217 416222615 /nfs/dbraw/zinc/22/26/15/416222615.db2.gz VPEOIKWCPNOYIN-MNOVXSKESA-N 0 0 305.396 0.467 50 0 DCAARN O=C([C@H]1CCCO1)N1CCN(C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000191921264 416291934 /nfs/dbraw/zinc/29/19/34/416291934.db2.gz OTIFYJNIRIRHOZ-ZIAGYGMSSA-N 0 0 322.405 0.795 50 0 DCAARN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC000192087733 416298973 /nfs/dbraw/zinc/29/89/73/416298973.db2.gz PVVILJZCVYISLR-SNVBAGLBSA-N 0 0 319.365 0.141 50 0 DCAARN OCCN1CCN(c2ncncc2-c2nc(C3CC3)no2)CC1 ZINC000263618729 416338354 /nfs/dbraw/zinc/33/83/54/416338354.db2.gz VFAIEYAMRYUAKE-UHFFFAOYSA-N 0 0 316.365 0.518 50 0 DCAARN Cn1c(=O)cc(C(=O)N[C@H]2C=CS(=O)(=O)C2)c2ccccc21 ZINC000216179616 416327365 /nfs/dbraw/zinc/32/73/65/416327365.db2.gz BPAIPIKOWNKLAL-JTQLQIEISA-N 0 0 318.354 0.579 50 0 DCAARN Nc1cnn(CC(=O)NCC[C@H]2COc3ccccc3O2)c1 ZINC000216155527 416327577 /nfs/dbraw/zinc/32/75/77/416327577.db2.gz SUJPEWYTJXFBLH-LBPRGKRZSA-N 0 0 302.334 0.812 50 0 DCAARN O=C([O-])C[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000238159458 416329759 /nfs/dbraw/zinc/32/97/59/416329759.db2.gz DMIDLNSMYPTPAH-NSHDSACASA-N 0 0 316.354 0.653 50 0 DCAARN CN1C[C@H](C(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)CC1=O ZINC000240178582 416329923 /nfs/dbraw/zinc/32/99/23/416329923.db2.gz ZBBPAONJDOIIKC-JHJVBQTASA-N 0 0 318.377 0.761 50 0 DCAARN CCn1ccnc1CN1CCN(CCn2cncn2)C[C@H]1C ZINC000241160586 416330129 /nfs/dbraw/zinc/33/01/29/416330129.db2.gz JYKVEVNEMWXEIG-CQSZACIVSA-N 0 0 303.414 0.701 50 0 DCAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NC[C@H]1CCCO1 ZINC000244773748 416330952 /nfs/dbraw/zinc/33/09/52/416330952.db2.gz PFQZYPVEJLRBHM-JHJVBQTASA-N 0 0 306.362 0.623 50 0 DCAARN O=c1cc(N2CCC[C@](O)(c3cn[nH]n3)C2)nc2ccccn12 ZINC000583616902 416477437 /nfs/dbraw/zinc/47/74/37/416477437.db2.gz XIOIDERZHWAVOO-OAHLLOKOSA-N 0 0 312.333 0.301 50 0 DCAARN Nc1n[nH]c(CCNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1 ZINC000534652037 416506240 /nfs/dbraw/zinc/50/62/40/416506240.db2.gz KBOHFQZGJKISPH-VIFPVBQESA-N 0 0 318.312 0.311 50 0 DCAARN CO[C@@]1(CO)CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000585113583 416517655 /nfs/dbraw/zinc/51/76/55/416517655.db2.gz GKFXBGRQRLWGSN-INIZCTEOSA-N 0 0 324.352 0.555 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2conc2C)C1 ZINC000585129953 416519560 /nfs/dbraw/zinc/51/95/60/416519560.db2.gz CTAVWOQPOFZDQV-JTQLQIEISA-N 0 0 301.368 0.983 50 0 DCAARN Cc1cc(C(=O)N2CCN(CC(F)(F)CO)CC2)ns1 ZINC000585130560 416519959 /nfs/dbraw/zinc/51/99/59/416519959.db2.gz UUNNEAKDZVJIPV-UHFFFAOYSA-N 0 0 305.350 0.837 50 0 DCAARN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1ccn2nnnc2c1 ZINC000614708056 416693970 /nfs/dbraw/zinc/69/39/70/416693970.db2.gz DCCROBMESAQOQA-VXNVDRBHSA-N 0 0 315.255 0.916 50 0 DCAARN Nc1ncc(C[N@@H+]2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)cn1 ZINC000426415455 416767398 /nfs/dbraw/zinc/76/73/98/416767398.db2.gz PLBHAQHOOFNOJG-GFCCVEGCSA-N 0 0 316.365 0.720 50 0 DCAARN CS(=O)(=O)NCCC(=O)NCCOc1ccccc1F ZINC000642243076 417036411 /nfs/dbraw/zinc/03/64/11/417036411.db2.gz CNWAFRHOCDSWPR-UHFFFAOYSA-N 0 0 304.343 0.260 50 0 DCAARN Cn1ccc2ccn(CCNC(=O)c3ccc(=O)[nH]c3)c(=O)c21 ZINC000575414936 417534211 /nfs/dbraw/zinc/53/42/11/417534211.db2.gz RHVVHWCKNIGWIK-UHFFFAOYSA-N 0 0 312.329 0.871 50 0 DCAARN COc1ccc(CCS(=O)(=O)NC[C@]2(O)CCOC2)cc1 ZINC000575415685 417535869 /nfs/dbraw/zinc/53/58/69/417535869.db2.gz OHCTVALBQSYTGP-CQSZACIVSA-N 0 0 315.391 0.309 50 0 DCAARN C[C@@H](Oc1ccccc1)C(=O)N1CC[C@H](N2C(=O)CNC2=O)C1 ZINC000575607313 417538534 /nfs/dbraw/zinc/53/85/34/417538534.db2.gz SHZFLOBMTVVMIG-NEPJUHHUSA-N 0 0 317.345 0.607 50 0 DCAARN O=C(CN1CCOC1=O)N1CCC[C@@H](Oc2ncc(F)cn2)C1 ZINC000575605480 417538920 /nfs/dbraw/zinc/53/89/20/417538920.db2.gz QGGJVNZWDJUGJZ-LLVKDONJSA-N 0 0 324.312 0.438 50 0 DCAARN COCCc1noc(C2CN(C(=O)c3cnc(C)cn3)C2)n1 ZINC000575550344 417538961 /nfs/dbraw/zinc/53/89/61/417538961.db2.gz SSFTVVKQYIRJSY-UHFFFAOYSA-N 0 0 303.322 0.597 50 0 DCAARN COc1nc(CNC(=O)/C=C/c2ccco2)nc(N(C)C)n1 ZINC000575606717 417539627 /nfs/dbraw/zinc/53/96/27/417539627.db2.gz LCSHELKBQKCJFI-VOTSOKGWSA-N 0 0 303.322 0.869 50 0 DCAARN COc1ccc(C(=O)NCc2nc(OC)nc(OC)n2)cc1 ZINC000575603690 417539695 /nfs/dbraw/zinc/53/96/95/417539695.db2.gz ITPKDITZPUIHSY-UHFFFAOYSA-N 0 0 304.306 0.827 50 0 DCAARN COCCNC(=O)C1(F)CCN(S(=O)(=O)C(C)C)CC1 ZINC000575555584 417539939 /nfs/dbraw/zinc/53/99/39/417539939.db2.gz JZQRFLQYIUUXMN-UHFFFAOYSA-N 0 0 310.391 0.291 50 0 DCAARN O=C(NCCN1C(=O)COC1=O)Nc1ccc2c(c1)OCCO2 ZINC000575616718 417540907 /nfs/dbraw/zinc/54/09/07/417540907.db2.gz OBPOEQCWFSGNKX-UHFFFAOYSA-N 0 0 321.289 0.558 50 0 DCAARN C[C@H](Oc1ccccc1)C(=O)N1CC(CN2C(=O)COC2=O)C1 ZINC000575616196 417541491 /nfs/dbraw/zinc/54/14/91/417541491.db2.gz KCEJAKFZHZQFOC-NSHDSACASA-N 0 0 318.329 0.891 50 0 DCAARN O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1ccccn1 ZINC000575615824 417541712 /nfs/dbraw/zinc/54/17/12/417541712.db2.gz GUECQDRACFGERS-NSHDSACASA-N 0 0 309.333 0.528 50 0 DCAARN Cn1nnnc1[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000575313764 417527449 /nfs/dbraw/zinc/52/74/49/417527449.db2.gz CLHYSWKRFAVQIX-CYBMUJFWSA-N 0 0 321.406 0.920 50 0 DCAARN CN1CC[C@H](C(=O)N(CC(F)(F)F)C2CC2)S1(=O)=O ZINC000648257692 418121223 /nfs/dbraw/zinc/12/12/23/418121223.db2.gz MXOSLPZISWLHCU-MRVPVSSYSA-N 0 0 300.302 0.574 50 0 DCAARN C[C@H]1CN(C(=O)C2(O)CCC2)CCN1C(=O)c1cscn1 ZINC000654586473 418164141 /nfs/dbraw/zinc/16/41/41/418164141.db2.gz ODLILZNOZLXCLL-JTQLQIEISA-N 0 0 309.391 0.731 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)N(C[C@H](C)O)C2CC2)C1 ZINC000655379117 418257196 /nfs/dbraw/zinc/25/71/96/418257196.db2.gz WQTFTGRHZXGSIJ-RYUDHWBXSA-N 0 0 318.439 0.420 50 0 DCAARN CCCC[C@H](NC(=O)CN1C(=O)CNC1=O)c1cccnc1 ZINC000222632800 545941741 /nfs/dbraw/zinc/94/17/41/545941741.db2.gz DIVLLMBUTKNNND-LBPRGKRZSA-N 0 0 304.350 0.981 50 0 DCAARN CC(C)(C)OC(=O)[C@@H]1[C@H](C(=O)NCCOCCO)C1(C)C ZINC000413131705 262201588 /nfs/dbraw/zinc/20/15/88/262201588.db2.gz ACYSLHCRNRCZQH-MNOVXSKESA-N 0 0 301.383 0.725 50 0 DCAARN COC(=O)C1=CC(c2ccc3c(c2)OCO3)=NS(=O)(=O)N1 ZINC000012847509 277311312 /nfs/dbraw/zinc/31/13/12/277311312.db2.gz PUCNAXHYKHBHJP-UHFFFAOYSA-N 0 0 310.287 0.109 50 0 DCAARN COc1cc(OC)nc(N2CCC3(C[NH2+][C@@H](C(=O)[O-])C3)CC2)n1 ZINC000091829350 277387398 /nfs/dbraw/zinc/38/73/98/277387398.db2.gz QMUQLAZPQRXHBU-SNVBAGLBSA-N 0 0 322.365 0.527 50 0 DCAARN COc1ccc(N2C(=S)N(C)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000004168732 277417798 /nfs/dbraw/zinc/41/77/98/277417798.db2.gz TVGQPNZXHRTQKC-VXGBXAGGSA-N 0 0 312.416 0.898 50 0 DCAARN COc1c(CN[C@@H]2CCS(=O)(=O)C2)c(C(C)C)nn1C ZINC000058405012 277788241 /nfs/dbraw/zinc/78/82/41/277788241.db2.gz XTCTYXSHFRUUIL-SNVBAGLBSA-N 0 0 301.412 0.829 50 0 DCAARN O=C(NC1CCS(=O)(=O)CC1)c1cccc2c1OCCO2 ZINC000219869815 279830199 /nfs/dbraw/zinc/83/01/99/279830199.db2.gz FZOPVNUCULPEJY-UHFFFAOYSA-N 0 0 311.359 0.765 50 0 DCAARN Cc1nc(CCN(C)S(=O)(=O)N2CCC(C)CC2)no1 ZINC000552121902 288265652 /nfs/dbraw/zinc/26/56/52/288265652.db2.gz MDWVYHQEUKWZLY-UHFFFAOYSA-N 0 0 302.400 0.829 50 0 DCAARN Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1-c1ccccc1 ZINC000000098878 281554310 /nfs/dbraw/zinc/55/43/10/281554310.db2.gz CPPCCQUIQANNHB-UHFFFAOYSA-N 0 0 309.329 0.984 50 0 DCAARN CCn1nccc1[C@H]1C(C(N)=O)=C(C)Nc2nc(SC)nn21 ZINC000020607135 288768759 /nfs/dbraw/zinc/76/87/59/288768759.db2.gz OTJBVPRVBMRBAA-JTQLQIEISA-N 0 0 319.394 0.991 50 0 DCAARN C[NH+](C)CCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000000376792 289164141 /nfs/dbraw/zinc/16/41/41/289164141.db2.gz CZJPSQZNTGPZCS-UHFFFAOYSA-N 0 0 315.373 0.945 50 0 biogenic DCAARN C[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)[C@H]1CCCO1 ZINC000048251273 289901093 /nfs/dbraw/zinc/90/10/93/289901093.db2.gz DGUCYLHTKYVHCT-SDDRHHMPSA-N 0 0 304.412 0.484 50 0 DCAARN Cc1cn2nc(N3CCc4nn(C)c(=O)cc4C3)sc2n1 ZINC000076064313 292866674 /nfs/dbraw/zinc/86/66/74/292866674.db2.gz HHEIYWFRDHABHU-UHFFFAOYSA-N 0 0 302.363 0.756 50 0 DCAARN Cn1cnc(-c2ccc(C(=O)N3CCNC(=O)C3(C)C)cc2)n1 ZINC000180159997 294440718 /nfs/dbraw/zinc/44/07/18/294440718.db2.gz NKTNNRPEZFENPZ-UHFFFAOYSA-N 0 0 313.361 0.833 50 0 DCAARN Cc1ccccc1C(=O)c1c(CN2CC2)n(C)c(=O)n(C)c1=O ZINC000036357782 302080703 /nfs/dbraw/zinc/08/07/03/302080703.db2.gz KHSHZFAPRLAIBK-UHFFFAOYSA-N 0 0 313.357 0.439 50 0 DCAARN NC(=O)c1ccccc1NC(=O)C[C@H](C[NH+]1CCCC1)C(=O)[O-] ZINC000072325328 303348592 /nfs/dbraw/zinc/34/85/92/303348592.db2.gz QPWZHHGQIXBOPV-LLVKDONJSA-N 0 0 319.361 0.911 50 0 biogenic DCAARN CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)Nc1ccc(F)cc1F ZINC000012727819 333116056 /nfs/dbraw/zinc/11/60/56/333116056.db2.gz MZYXEYKPTNLQSO-LLVKDONJSA-N 0 0 318.301 0.506 50 0 DCAARN COC[C@H]1CCCN(S(=O)(=O)NCc2cscn2)C1 ZINC000534581097 334289299 /nfs/dbraw/zinc/28/92/99/334289299.db2.gz JEDAFIKETAJYSI-JTQLQIEISA-N 0 0 305.425 0.836 50 0 DCAARN COC[C@@H](NC(=O)Cn1nc(C)c(C)cc1=O)c1ccccn1 ZINC000534644840 334306728 /nfs/dbraw/zinc/30/67/28/334306728.db2.gz XOXLUNPSLGQIPY-CQSZACIVSA-N 0 0 316.361 0.759 50 0 DCAARN COCc1noc(CNS(=O)(=O)N2CCCCCC2)n1 ZINC000534632895 334308029 /nfs/dbraw/zinc/30/80/29/334308029.db2.gz IXNQTADPMCMABO-UHFFFAOYSA-N 0 0 304.372 0.426 50 0 DCAARN Cn1ccnc1[C@@H](NC(=O)NC1(C(N)=O)CCCC1)C1CC1 ZINC000534652055 334312348 /nfs/dbraw/zinc/31/23/48/334312348.db2.gz RSYFHWBLXRFINJ-NSHDSACASA-N 0 0 305.382 0.969 50 0 DCAARN O=C([O-])[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC000534654471 334313406 /nfs/dbraw/zinc/31/34/06/334313406.db2.gz SETVVBDETQCCFD-SNVBAGLBSA-N 0 0 307.354 0.206 50 0 DCAARN COCCc1noc(CNC(=O)c2c3c(nn2C)CCCC3)n1 ZINC000534647269 334315849 /nfs/dbraw/zinc/31/58/49/334315849.db2.gz TZYVMDKFEGNIAQ-UHFFFAOYSA-N 0 0 319.365 0.801 50 0 DCAARN CC(=O)N1CCC[C@H](NS(=O)(=O)N2CCCCCC2)C1 ZINC000534664779 334318357 /nfs/dbraw/zinc/31/83/57/334318357.db2.gz OUAUHDZWQIZPPC-ZDUSSCGKSA-N 0 0 303.428 0.708 50 0 DCAARN O=C([O-])CCCC(=O)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000534664256 334323380 /nfs/dbraw/zinc/32/33/80/334323380.db2.gz XGBDTXCOLJHWGB-CQSZACIVSA-N 0 0 309.410 0.480 50 0 DCAARN COc1ncnc(OC)c1C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000172213970 341794930 /nfs/dbraw/zinc/79/49/30/341794930.db2.gz OUCNBHILCWFPFO-VIFPVBQESA-N 0 0 303.322 0.504 50 0 DCAARN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1nccnc1C(N)=O ZINC000133404999 521701985 /nfs/dbraw/zinc/70/19/85/521701985.db2.gz YXXOKDZJUAENBB-VHSXEESVSA-N 0 0 306.366 0.899 50 0 DCAARN Cn1cc(Cl)cc1C(=O)N(CCNS(C)(=O)=O)C1CC1 ZINC000408516043 534735269 /nfs/dbraw/zinc/73/52/69/534735269.db2.gz GDNKVUGEOVZHGR-UHFFFAOYSA-N 0 0 319.814 0.832 50 0 DCAARN C[C@H]1CCN(C(=O)NCCOCCS(C)(=O)=O)C[C@H]1C ZINC000128525206 524252623 /nfs/dbraw/zinc/25/26/23/524252623.db2.gz LNJGVEYEVRWFGD-NWDGAFQWSA-N 0 0 306.428 0.735 50 0 DCAARN Cc1ccccc1Cc1nnn(CC(=O)NC[C@@H]2CCCO2)n1 ZINC000153258686 534820270 /nfs/dbraw/zinc/82/02/70/534820270.db2.gz NIOFJCNDISYGMU-AWEZNQCLSA-N 0 0 315.377 0.868 50 0 DCAARN Cc1cc(NC(=O)C(=O)NCCO)ccc1Br ZINC000170396037 525108302 /nfs/dbraw/zinc/10/83/02/525108302.db2.gz KLYYBOMMNHQODB-UHFFFAOYSA-N 0 0 301.140 0.805 50 0 DCAARN O=S(=O)(NC[C@@]1(O)CCOC1)c1cccc2c1N=S=N2 ZINC000229632816 527225630 /nfs/dbraw/zinc/22/56/30/527225630.db2.gz GBDARRNQFRNMBO-NSHDSACASA-N 0 0 315.376 0.843 50 0 DCAARN CCN1C[C@@H](C)N(S(=O)(=O)CCCC(=O)OC)C[C@@H]1C ZINC000390835199 527934165 /nfs/dbraw/zinc/93/41/65/527934165.db2.gz GLTKKUDFURPSKN-NWDGAFQWSA-N 0 0 306.428 0.684 50 0 DCAARN CCCCCNC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000408517327 528189454 /nfs/dbraw/zinc/18/94/54/528189454.db2.gz GVVHOXXMIYRYER-UHFFFAOYSA-N 0 0 301.368 0.162 50 0 DCAARN COC(=O)N1CCc2nn(Cc3cc(C)no3)c(=O)cc2C1 ZINC000084124448 545700951 /nfs/dbraw/zinc/70/09/51/545700951.db2.gz YFRWMVWWILQRRZ-UHFFFAOYSA-N 0 0 304.306 0.713 50 0 DCAARN O=C(NN=Cc1ccc([N+](=O)[O-])o1)C(=O)NNc1ccccc1 ZINC000252623076 545975026 /nfs/dbraw/zinc/97/50/26/545975026.db2.gz OJNIFBAJXPCCMN-UHFFFAOYSA-N 0 0 317.261 0.781 50 0 DCAARN CC[C@H](C)[C@H](CO)NC(=O)[C@H](c1ccccc1)n1cnnn1 ZINC000575443432 546299041 /nfs/dbraw/zinc/29/90/41/546299041.db2.gz FWCSRZFMNNWAEL-UBHSHLNASA-N 0 0 303.366 0.786 50 0 DCAARN COc1ccc2c(c1)N(S(=O)(=O)c1cnnn1C)CCC2 ZINC000585094091 546303449 /nfs/dbraw/zinc/30/34/49/546303449.db2.gz ADUMIGBNSJIIKJ-UHFFFAOYSA-N 0 0 308.363 0.965 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)[C@@H](C)CCO)C1 ZINC000585090531 546303582 /nfs/dbraw/zinc/30/35/82/546303582.db2.gz GQKSILKKSFQXGR-NWDGAFQWSA-N 0 0 306.428 0.277 50 0 DCAARN O[C@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@@H]1N1CCOCC1 ZINC000670433985 547087927 /nfs/dbraw/zinc/08/79/27/547087927.db2.gz UKHNWUQPTKCJML-RYUDHWBXSA-N 0 0 317.311 0.982 50 0 DCAARN Cc1nonc1CNC(=O)CCS(=O)(=O)c1ccccc1 ZINC000670468977 547100633 /nfs/dbraw/zinc/10/06/33/547100633.db2.gz FXHYARACBKERCQ-UHFFFAOYSA-N 0 0 309.347 0.858 50 0 DCAARN CCn1nc(C)cc1C(=O)N[C@H]1CCO[C@H]1c1nnc(C)[nH]1 ZINC000685941238 548746813 /nfs/dbraw/zinc/74/68/13/548746813.db2.gz AUZGYPVLSNWQBQ-CMPLNLGQSA-N 0 0 304.354 0.898 50 0 DCAARN CC(C)C[C@H]1C(=O)NCCN1C(=O)c1nc(N)nc(N(C)C)n1 ZINC000328600286 563960519 /nfs/dbraw/zinc/96/05/19/563960519.db2.gz WOURVIBIAFBURU-VIFPVBQESA-N 0 0 321.385 0.347 50 0 DCAARN COCCOc1cccc(C(=O)N2CC(N3CC[C@H](O)C3)C2)c1 ZINC000888094271 661159353 /nfs/dbraw/zinc/15/93/53/661159353.db2.gz DHPYFMPHAGCDKK-HNNXBMFYSA-N 0 0 320.389 0.603 50 0 DCAARN CCCCCOCC(=O)N1CCN(C(=O)C(OC)OC)CC1 ZINC000888099691 661178525 /nfs/dbraw/zinc/17/85/25/661178525.db2.gz KOXSFKRYLNURKU-UHFFFAOYSA-N 0 0 316.398 0.483 50 0 DCAARN COCCN1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1=O ZINC000179480151 658506380 /nfs/dbraw/zinc/50/63/80/658506380.db2.gz SPYOORKNLSBKTC-CQSZACIVSA-N 0 0 318.373 0.555 50 0 DCAARN C[C@H](CNC(=O)c1ccccc1-n1ccnn1)N1CCOCC1 ZINC000182109996 665729922 /nfs/dbraw/zinc/72/99/22/665729922.db2.gz OASDMTSPRWHWTQ-CYBMUJFWSA-N 0 0 315.377 0.718 50 0 DCAARN O=C(Cn1ccnn1)N1CCCN(Cc2ccncc2)CC1 ZINC000426509351 661606764 /nfs/dbraw/zinc/60/67/64/661606764.db2.gz JJMNHLOBAGPLFI-UHFFFAOYSA-N 0 0 300.366 0.408 50 0 DCAARN CC[C@@H](CO)Nc1cc(N2C[C@@H](OC)C[C@H]2COC)ncn1 ZINC000871100757 664725258 /nfs/dbraw/zinc/72/52/58/664725258.db2.gz APETZKYRFKNMNV-AVGNSLFASA-N 0 0 310.398 0.900 50 0 DCAARN CCn1cc(CC(=O)Nc2c(OC)ncnc2N(C)C)cn1 ZINC000585081264 666170648 /nfs/dbraw/zinc/17/06/48/666170648.db2.gz NRQZWTYVASUCPA-UHFFFAOYSA-N 0 0 304.354 0.949 50 0 DCAARN Cc1c([C@H](C)NC(=O)Cn2cnnn2)cnn1-c1ccccn1 ZINC000012306725 666434163 /nfs/dbraw/zinc/43/41/63/666434163.db2.gz UVZZUAJWNFDXKR-JTQLQIEISA-N 0 0 312.337 0.440 50 0 DCAARN COc1ccc(S(=O)(=O)NCC(=O)NC2CC2)cc1Cl ZINC000036105243 669256836 /nfs/dbraw/zinc/25/68/36/669256836.db2.gz KTKOLLMGXFCFBE-UHFFFAOYSA-N 0 0 318.782 0.906 50 0 DCAARN NC(=O)CN1CCN(C(=O)[C@H]2CCCc3cccnc32)CC1 ZINC000195459353 670493606 /nfs/dbraw/zinc/49/36/06/670493606.db2.gz FFFIONDHIRWSKG-ZDUSSCGKSA-N 0 0 302.378 0.131 50 0 DCAARN Cn1ncc(CNC(=O)NCc2c(C(F)(F)F)cnn2C)n1 ZINC000858456101 671006269 /nfs/dbraw/zinc/00/62/69/671006269.db2.gz BFZRTYLALDMZAR-UHFFFAOYSA-N 0 0 317.275 0.567 50 0 DCAARN CN1CC(=O)N(CC(=O)N(Cc2cccc(O)c2)C2CC2)C1=O ZINC000952966109 685599133 /nfs/dbraw/zinc/59/91/33/685599133.db2.gz HAYAQRRNKPMCNN-UHFFFAOYSA-N 0 0 317.345 0.777 50 0 DCAARN Cc1ccccc1OC[C@@H](O)C(=O)NCc1cc(=O)[nH]c(C)n1 ZINC000952973330 685600257 /nfs/dbraw/zinc/60/02/57/685600257.db2.gz XARQCADEENLQBG-CYBMUJFWSA-N 0 0 317.345 0.855 50 0 DCAARN COc1ccc(S(=O)(=O)N2CC(Cn3cncn3)C2)cc1 ZINC000952986409 685601864 /nfs/dbraw/zinc/60/18/64/685601864.db2.gz MLOGOVOVNCJLPN-UHFFFAOYSA-N 0 0 308.363 0.607 50 0 DCAARN O=C(NC[C@@H]1CCCN(c2cc(=O)[nH]cn2)C1)c1cnccn1 ZINC000952982329 685602005 /nfs/dbraw/zinc/60/20/05/685602005.db2.gz GSZQTCRCNKDZPV-NSHDSACASA-N 0 0 314.349 0.619 50 0 DCAARN CCCCS(=O)(=O)N1CCC[C@H](Cn2cc(CO)nn2)C1 ZINC000023380478 685052701 /nfs/dbraw/zinc/05/27/01/685052701.db2.gz XTNCKSBTPUJTFI-GFCCVEGCSA-N 0 0 316.427 0.612 50 0 DCAARN O=C([O-])CC[C@@H]1CN(c2ncccn2)CC[C@@H]1[NH+]1CCOCC1 ZINC000091325778 685104442 /nfs/dbraw/zinc/10/44/42/685104442.db2.gz BIPBUYZWYWCJQV-KGLIPLIRSA-N 0 0 320.393 0.869 50 0 DCAARN CCc1nn(C)c(NC(=O)NCCN2CCOCC2)c1CC ZINC000095505716 685111750 /nfs/dbraw/zinc/11/17/50/685111750.db2.gz RDHFVJSLELYNHI-UHFFFAOYSA-N 0 0 309.414 0.999 50 0 DCAARN Cn1ccsc1=NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000254815172 685188305 /nfs/dbraw/zinc/18/83/05/685188305.db2.gz HBUKTRFPLJRTHD-ZDUSSCGKSA-N 0 0 308.363 0.234 50 0 DCAARN Cc1nc[nH]c1C[N@H+](CC(=O)[O-])CC(C)(C)CN1CCOCC1 ZINC001772704691 1157842675 /nfs/dbraw/zinc/84/26/75/1157842675.db2.gz OSJFKLWOGBGOHV-UHFFFAOYSA-N 0 0 324.425 0.963 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cc(=O)cc(C)o3)C[C@H]2O)[nH]n1 ZINC001704300760 1179966961 /nfs/dbraw/zinc/96/69/61/1179966961.db2.gz ZBPMNHJHSGKJMY-BXUZGUMPSA-N 0 0 317.345 0.655 50 0 DCAARN Cc1nc(CN(CCO)C(=O)c2ccc(N(C)C)nc2)c[nH]1 ZINC001704309973 1179969711 /nfs/dbraw/zinc/96/97/11/1179969711.db2.gz UPZWOTDZNQPBLM-UHFFFAOYSA-N 0 0 303.366 0.814 50 0 DCAARN Cc1ccc(C(=O)N2C[C@H]3COC[C@@H]2C[N@H+](CC(=O)[O-])C3)cc1 ZINC001704313382 1179969766 /nfs/dbraw/zinc/96/97/66/1179969766.db2.gz PAQMJARDYKYTLZ-ZFWWWQNUSA-N 0 0 318.373 0.852 50 0 DCAARN CNC(=O)C[N@@H+]1CC[C@](Cc2ccccc2)(C(=O)[O-])[C@@H](O)C1 ZINC001704312464 1179970116 /nfs/dbraw/zinc/97/01/16/1179970116.db2.gz CINIAIDTVUVGKD-XJKSGUPXSA-N 0 0 306.362 0.113 50 0 DCAARN O=C([C@H]1CC(=O)OC12CCCCC2)N(CCO)Cc1ncc[nH]1 ZINC001704314353 1179971538 /nfs/dbraw/zinc/97/15/38/1179971538.db2.gz PFEXGSLGYPJAOV-GFCCVEGCSA-N 0 0 321.377 0.997 50 0 DCAARN CO[C@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1Cc1cc(C)no1 ZINC001704336346 1179977509 /nfs/dbraw/zinc/97/75/09/1179977509.db2.gz MATLPOOWPKGRKO-PWSUYJOCSA-N 0 0 305.338 0.739 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cc(=O)cc(C)o3)C[C@@H]2O)on1 ZINC001704340117 1179979257 /nfs/dbraw/zinc/97/92/57/1179979257.db2.gz VFMCJMBKFYKORA-RISCZKNCSA-N 0 0 318.329 0.920 50 0 DCAARN Nc1n[nH]c(CCNC(=O)CCC(=O)N2CCCCCC2)n1 ZINC001704348289 1179981656 /nfs/dbraw/zinc/98/16/56/1179981656.db2.gz FGADMLUVIKBJBZ-UHFFFAOYSA-N 0 0 308.386 0.228 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3oc(C)nc3C)C[C@H]2O)[nH]n1 ZINC001704346982 1179981919 /nfs/dbraw/zinc/98/19/19/1179981919.db2.gz DXXYUJOBJJCSEV-DGCLKSJQSA-N 0 0 304.350 0.999 50 0 DCAARN CCC1(CC)CCN(C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)C1 ZINC001704354456 1179982691 /nfs/dbraw/zinc/98/26/91/1179982691.db2.gz DVDIALHAAIQBLW-LLVKDONJSA-N 0 0 320.393 0.640 50 0 DCAARN CC(C)C(=O)NCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 ZINC001704350509 1179982848 /nfs/dbraw/zinc/98/28/48/1179982848.db2.gz BCLWJMTVKHCGCF-KGLIPLIRSA-N 0 0 305.378 0.528 50 0 DCAARN CCn1ccc(C(=O)N2C[C@@H](Cc3ccncc3)[C@H](O)C2)n1 ZINC001704351435 1179983062 /nfs/dbraw/zinc/98/30/62/1179983062.db2.gz ILZLVYPFBHCAHI-UKRRQHHQSA-N 0 0 300.362 0.974 50 0 DCAARN COCCC(=O)N1CCC[C@@H](OCc2noc(COC)n2)C1 ZINC000675017573 748026479 /nfs/dbraw/zinc/02/64/79/748026479.db2.gz WUHWEBAGYOZEMO-LLVKDONJSA-N 0 0 313.354 0.760 50 0 DCAARN CC(C)N1C[C@@H](CNc2cncc(C(=O)N(C)C)n2)CC1=O ZINC000821735112 758177990 /nfs/dbraw/zinc/17/79/90/758177990.db2.gz YHGFVYFMZGWSMN-LLVKDONJSA-N 0 0 305.382 0.847 50 0 DCAARN C[C@H](c1nc(CC(N)=O)nn1CC(F)(F)F)n1cncn1 ZINC000822276762 758189353 /nfs/dbraw/zinc/18/93/53/758189353.db2.gz CSUXZZFGJZRJQZ-ZCFIWIBFSA-N 0 0 303.248 0.069 50 0 DCAARN CCNC(=O)[C@H]1CCN(S(=O)(=O)c2cnn(CC)c2)C1 ZINC000823123336 758226921 /nfs/dbraw/zinc/22/69/21/758226921.db2.gz FVOKEGCBHRROAY-JTQLQIEISA-N 0 0 300.384 0.050 50 0 DCAARN COCCCn1cnnc1CNC(=O)c1ccc(C)[nH]c1=O ZINC000824396477 758771520 /nfs/dbraw/zinc/77/15/20/758771520.db2.gz OQGSSRFWXIHWJC-UHFFFAOYSA-N 0 0 305.338 0.654 50 0 DCAARN COc1ccc(NC(=O)CN2CCCC2=O)cc1C(=O)N(C)C ZINC000824699831 758781803 /nfs/dbraw/zinc/78/18/03/758781803.db2.gz UOQOBSKNPSYBJH-UHFFFAOYSA-N 0 0 319.361 0.958 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)C[C@H]3NC(=O)NC3=O)cc2c1 ZINC000824758575 758783573 /nfs/dbraw/zinc/78/35/73/758783573.db2.gz LFFLJASVKWFWTN-GFCCVEGCSA-N 0 0 316.317 0.391 50 0 DCAARN CN(Cc1nncn1C)S(=O)(=O)c1ccc2[nH]cnc2c1 ZINC000825647729 758811784 /nfs/dbraw/zinc/81/17/84/758811784.db2.gz KTNVZIVDQFJHIH-UHFFFAOYSA-N 0 0 306.351 0.512 50 0 DCAARN Nc1cc(=O)[nH]c(CCNS(=O)(=O)N2CCCCCC2)n1 ZINC000827582913 758869652 /nfs/dbraw/zinc/86/96/52/758869652.db2.gz GBQAMYDZNQZMRT-UHFFFAOYSA-N 0 0 315.399 0.017 50 0 DCAARN C[C@@H](Cn1cncn1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000827628132 758871895 /nfs/dbraw/zinc/87/18/95/758871895.db2.gz XZYQTUJQEKANFC-LBPRGKRZSA-N 0 0 317.349 0.492 50 0 DCAARN O=C(CCCn1cncn1)N1CCC(Oc2ncccn2)CC1 ZINC000827913402 758895889 /nfs/dbraw/zinc/89/58/89/758895889.db2.gz FVMYHILGIZVNJS-UHFFFAOYSA-N 0 0 316.365 0.918 50 0 DCAARN COCCc1noc(C2CN(C(=O)c3ccc(OC)nc3)C2)n1 ZINC000581809387 760255250 /nfs/dbraw/zinc/25/52/50/760255250.db2.gz KVXCFOVOPHFMQH-UHFFFAOYSA-N 0 0 318.333 0.902 50 0 DCAARN COC(=O)c1ccc(S(=O)(=O)N2CC(n3nccn3)C2)cc1 ZINC000888106972 765410143 /nfs/dbraw/zinc/41/01/43/765410143.db2.gz HCSZEUMRXNIZBH-UHFFFAOYSA-N 0 0 322.346 0.310 50 0 DCAARN O=S(=O)(N[C@H]1CCCc2ccccc21)C1CS(=O)(=O)C1 ZINC000585079741 766267790 /nfs/dbraw/zinc/26/77/90/766267790.db2.gz SJLCUTXHLLVTHI-ZDUSSCGKSA-N 0 0 315.416 0.780 50 0 DCAARN CCOC(=O)[C@@H](C[C@@H](OC)C1CC1)NC(=O)c1ccn(C)n1 ZINC000585127105 766289807 /nfs/dbraw/zinc/28/98/07/766289807.db2.gz QCQHWJPETLSWRB-CHWSQXEVSA-N 0 0 309.366 0.897 50 0 DCAARN CN1CCN(C(=O)c2cc(F)c(F)c(F)c2F)[C@@H](CO)C1 ZINC000585127668 766289813 /nfs/dbraw/zinc/28/98/13/766289813.db2.gz GSPDVQZFAKEDQS-SSDOTTSWSA-N 0 0 306.259 0.992 50 0 DCAARN Cn1ccc(C(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)n1 ZINC000585127275 766289818 /nfs/dbraw/zinc/28/98/18/766289818.db2.gz VVRKBBKZQVJEQW-UHFFFAOYSA-N 0 0 322.365 0.046 50 0 DCAARN CCOc1cc(N2CCN(C(=O)C(OC)OC)CC2)ncn1 ZINC000952876581 768939427 /nfs/dbraw/zinc/93/94/27/768939427.db2.gz CDTOZDCJULSWRP-UHFFFAOYSA-N 0 0 310.354 0.143 50 0 DCAARN COc1ccc(COCC(=O)N[C@H]2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000952879406 768943282 /nfs/dbraw/zinc/94/32/82/768943282.db2.gz HUQXWHFHLOPARR-CFVMTHIKSA-N 0 0 309.362 0.602 50 0 DCAARN O=C(c1ccncc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000238949865 769755637 /nfs/dbraw/zinc/75/56/37/769755637.db2.gz WUAPFXPKOPKOAA-ZIAGYGMSSA-N 0 0 311.341 0.857 50 0 DCAARN O=C(CCn1cccn1)N1C[C@@H](Cc2ccccn2)[C@H](O)C1 ZINC001529144127 1014505737 /nfs/dbraw/zinc/50/57/37/1014505737.db2.gz 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185311844 /nfs/dbraw/zinc/31/18/44/185311844.db2.gz JVPUPAKRGLJBSW-UHFFFAOYSA-N 0 0 323.216 0.979 50 0 DCAARN Cc1ccc(N2CCN(C(=O)CCn3cnnn3)CC2=O)cc1 ZINC000082120729 192359620 /nfs/dbraw/zinc/35/96/20/192359620.db2.gz WEOULEWPIYMQCL-UHFFFAOYSA-N 0 0 314.349 0.247 50 0 DCAARN COc1nccnc1N1CCC(Cc2nnc(CO)n2C)CC1 ZINC000082137137 192360073 /nfs/dbraw/zinc/36/00/73/192360073.db2.gz WXOSJFPMXHLVJQ-UHFFFAOYSA-N 0 0 318.381 0.565 50 0 DCAARN Cc1ccc(OCCC(=O)N[C@H]2CCCN(CC(N)=O)C2)cc1 ZINC000095396528 185353029 /nfs/dbraw/zinc/35/30/29/185353029.db2.gz RNMSWVIKPFCRMS-AWEZNQCLSA-N 0 0 319.405 0.830 50 0 DCAARN CN(C)c1nnc(SCC(=O)N2CCN(C)CC2)s1 ZINC000095394129 185352179 /nfs/dbraw/zinc/35/21/79/185352179.db2.gz UAOPRNSWANXCIR-UHFFFAOYSA-N 0 0 301.441 0.470 50 0 DCAARN O=C(c1ccc2c(c1)CCCO2)N1CC[C@@]2(CC(=O)NC2=O)C1 ZINC000082155870 192362776 /nfs/dbraw/zinc/36/27/76/192362776.db2.gz ZDZIBVHGHPBBTP-QGZVFWFLSA-N 0 0 314.341 0.890 50 0 DCAARN CCc1nc(SCC(=O)NCCC(=O)OC)[nH]c(=O)c1C ZINC000408523329 529744441 /nfs/dbraw/zinc/74/44/41/529744441.db2.gz RDAVUZREWPRKTK-UHFFFAOYSA-N 0 0 313.379 0.824 50 0 DCAARN O=C(Nc1cccnc1N1CCCC1)N1C[C@H](O)C[C@@H]1CO ZINC000095445354 185367396 /nfs/dbraw/zinc/36/73/96/185367396.db2.gz GNQOIFNJFKRQKC-VXGBXAGGSA-N 0 0 306.366 0.641 50 0 DCAARN CN1CCO[C@@H](C(=O)N2CCN(c3ccncc3Cl)CC2)C1 ZINC000095437771 185365376 /nfs/dbraw/zinc/36/53/76/185365376.db2.gz NYHYNQXHFWVUSN-CQSZACIVSA-N 0 0 324.812 0.714 50 0 DCAARN CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2nnc[nH]2)C1 ZINC000095465173 185371824 /nfs/dbraw/zinc/37/18/24/185371824.db2.gz XYYAPJPLRSYHHF-VWYCJHECSA-N 0 0 307.354 0.645 50 0 DCAARN O=C1CCCCN1Cn1nnc2c(cnn2-c2ccccc2)c1=O ZINC000095460234 185370692 /nfs/dbraw/zinc/37/06/92/185370692.db2.gz QFUXJDDQPRCZCJ-UHFFFAOYSA-N 0 0 324.344 0.947 50 0 DCAARN CN(C)c1cccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000330959089 529793328 /nfs/dbraw/zinc/79/33/28/529793328.db2.gz DMVWGRZDJCKZDH-GFCCVEGCSA-N 0 0 313.379 0.677 50 0 DCAARN O=C(CCCN1C(=O)c2cccnc2C1=O)Nc1nc[nH]n1 ZINC000095472134 185372704 /nfs/dbraw/zinc/37/27/04/185372704.db2.gz ANHKEHGJAFIONW-UHFFFAOYSA-N 0 0 300.278 0.215 50 0 DCAARN C[C@@H](C1CC1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000025510485 190651312 /nfs/dbraw/zinc/65/13/12/190651312.db2.gz QMMDBWBCZITNIZ-QMMMGPOBSA-N 0 0 323.374 0.635 50 0 DCAARN CNS(=O)(=O)C1CCN(C(=O)[C@@](C)(OC)C2CC2)CC1 ZINC000331960793 530013232 /nfs/dbraw/zinc/01/32/32/530013232.db2.gz LNTRWLZDILFIQZ-ZDUSSCGKSA-N 0 0 304.412 0.342 50 0 DCAARN CC[C@@H](C)NC(=O)Cn1ncc2c(c1=O)N(CC)C(=O)CS2 ZINC000065132514 545660039 /nfs/dbraw/zinc/66/00/39/545660039.db2.gz ODTKAXFOYOCLIW-SECBINFHSA-N 0 0 324.406 0.617 50 0 DCAARN O=C(Nc1cccnc1)C(=O)N1CCN(C(=O)C2CCC2)CC1 ZINC000069743993 190812055 /nfs/dbraw/zinc/81/20/55/190812055.db2.gz SDDHREGJQIEQFC-UHFFFAOYSA-N 0 0 316.361 0.491 50 0 DCAARN O=C(CN1CCO[C@@H](Cn2cccn2)C1)Nc1ccncc1 ZINC000069877721 190833326 /nfs/dbraw/zinc/83/33/26/190833326.db2.gz WOFKAUVHJBAZOY-CQSZACIVSA-N 0 0 301.350 0.618 50 0 DCAARN CC(C)c1nc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c[nH]1 ZINC000069975383 190844811 /nfs/dbraw/zinc/84/48/11/190844811.db2.gz GBVCHUZOYQTESO-ZDUSSCGKSA-N 0 0 320.393 0.997 50 0 DCAARN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H]1CCCCNC1=O ZINC000080578202 192168256 /nfs/dbraw/zinc/16/82/56/192168256.db2.gz HOSWTXKUFXMCTP-IINYFYTJSA-N 0 0 321.425 0.936 50 0 DCAARN C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@@H]1CCOC1 ZINC000083967091 192393827 /nfs/dbraw/zinc/39/38/27/192393827.db2.gz DPJPLGBZCWXPTO-NXEZZACHSA-N 0 0 302.334 0.586 50 0 DCAARN C[C@H]1CN(S(=O)(=O)c2cnnn2C)[C@H](c2ccccc2)CO1 ZINC000330159120 290882324 /nfs/dbraw/zinc/88/23/24/290882324.db2.gz QJNYJASQIZXVLI-AAEUAGOBSA-N 0 0 322.390 0.966 50 0 DCAARN NC(=O)NCCC(=O)N1CCO[C@@H](Cc2cccc(F)c2)C1 ZINC000071681410 191007442 /nfs/dbraw/zinc/00/74/42/191007442.db2.gz AFIRWNNMQVJLKQ-ZDUSSCGKSA-N 0 0 309.341 0.654 50 0 DCAARN CN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)CO)C2 ZINC000071750359 191021756 /nfs/dbraw/zinc/02/17/56/191021756.db2.gz IFFFVRPHYFEAQC-UHFFFAOYSA-N 0 0 313.361 0.482 50 0 DCAARN Cc1nn(C)cc1NC(=O)CN1CCO[C@@H](C(F)(F)F)C1 ZINC000071752054 191022991 /nfs/dbraw/zinc/02/29/91/191022991.db2.gz MYJDBEHOEOPXOF-SNVBAGLBSA-N 0 0 306.288 0.930 50 0 DCAARN O=C(OCc1ccccc1)N1CCC2(CC1)NCCNC2=O ZINC000071752553 191023636 /nfs/dbraw/zinc/02/36/36/191023636.db2.gz SMAXJBYJSAVSNP-UHFFFAOYSA-N 0 0 303.362 0.877 50 0 DCAARN Cn1nc2n(c1=O)C[C@H](C(=O)N1CCC3(CCCO3)CC1)CC2 ZINC000071752494 191023701 /nfs/dbraw/zinc/02/37/01/191023701.db2.gz WDZNUOCAGTWLLM-GFCCVEGCSA-N 0 0 320.393 0.316 50 0 DCAARN Cc1noc(-c2ccc(N3CC[NH2+]C[C@@H](CC(=O)[O-])C3)nc2)n1 ZINC000071754748 191025121 /nfs/dbraw/zinc/02/51/21/191025121.db2.gz FSIGRPMGJYTJFB-LLVKDONJSA-N 0 0 317.349 0.941 50 0 DCAARN CCc1nc(C)sc1CNC(=O)Cc1c[nH]c(=O)n(C)c1=O ZINC000071765498 191027540 /nfs/dbraw/zinc/02/75/40/191027540.db2.gz DUPOSRVQMOPDRX-UHFFFAOYSA-N 0 0 322.390 0.260 50 0 DCAARN NC(=O)CN1CCCN(C(=O)COc2cccc(F)c2)CC1 ZINC000071829380 191031753 /nfs/dbraw/zinc/03/17/53/191031753.db2.gz AVXQIENKHBMSFR-UHFFFAOYSA-N 0 0 309.341 0.224 50 0 DCAARN Cc1cc2c(cc1C(=O)N1CCC[C@@](O)(CO)C1)OCCO2 ZINC000072139021 191048217 /nfs/dbraw/zinc/04/82/17/191048217.db2.gz BMUYUJBDAFFOOK-INIZCTEOSA-N 0 0 307.346 0.726 50 0 DCAARN Cc1ccc(NC(=O)[C@@H]2CN(c3ncc(F)cn3)CCN2)cn1 ZINC000072120891 191040233 /nfs/dbraw/zinc/04/02/33/191040233.db2.gz FCSJIJXJGLROHU-ZDUSSCGKSA-N 0 0 316.340 0.736 50 0 DCAARN O=C(CCn1nnc2ccccc21)N1CCc2c(=O)[nH]cnc2C1 ZINC000072121824 191040816 /nfs/dbraw/zinc/04/08/16/191040816.db2.gz ATOVRDBTDOBYPK-UHFFFAOYSA-N 0 0 324.344 0.490 50 0 DCAARN Cc1cc2nc(C(=O)N3CC[C@H](CO)[C@@H](O)C3)cc(C)n2n1 ZINC000072124096 191042229 /nfs/dbraw/zinc/04/22/29/191042229.db2.gz LISIZQZYDNJGJM-YPMHNXCESA-N 0 0 304.350 0.161 50 0 DCAARN Cc1nnnn1[C@@H](C(=O)N1CCn2cncc2C1)c1ccccc1 ZINC000072144349 191051954 /nfs/dbraw/zinc/05/19/54/191051954.db2.gz QVLSYSNJPJEMRY-OAHLLOKOSA-N 0 0 323.360 0.810 50 0 DCAARN O=C(CCc1ccc(=O)[nH]n1)N1CCC[C@@]2(CNC(=O)O2)CC1 ZINC000072148487 191054221 /nfs/dbraw/zinc/05/42/21/191054221.db2.gz NQJNCACSGULOLD-HNNXBMFYSA-N 0 0 320.349 0.194 50 0 DCAARN Cc1ncc(C(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)c(=O)[nH]1 ZINC000072154250 191059283 /nfs/dbraw/zinc/05/92/83/191059283.db2.gz RPXKKRIFCIPZCR-CQSZACIVSA-N 0 0 306.322 0.135 50 0 DCAARN Cc1n[nH]c(C)c1CCN(C)C(=O)c1cn2c(n1)CNCC2 ZINC000072165457 191065014 /nfs/dbraw/zinc/06/50/14/191065014.db2.gz FTOKVBLASPOZND-UHFFFAOYSA-N 0 0 302.382 0.641 50 0 DCAARN CC(=O)NCc1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)o1 ZINC000072235076 191080749 /nfs/dbraw/zinc/08/07/49/191080749.db2.gz DUXUGYUAORJZIM-LBPRGKRZSA-N 0 0 317.349 0.985 50 0 DCAARN CN1C(=O)CO[C@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1 ZINC000072237925 191081393 /nfs/dbraw/zinc/08/13/93/191081393.db2.gz LPXNOBPHHLOIIU-CABCVRRESA-N 0 0 304.346 0.444 50 0 DCAARN O=S(=O)(NC[C@@H]1CCCO1)c1cnn(-c2ccccn2)c1 ZINC000072239001 191081731 /nfs/dbraw/zinc/08/17/31/191081731.db2.gz ZUJLOLKWQPLXIJ-NSHDSACASA-N 0 0 308.363 0.725 50 0 DCAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1COCCN1 ZINC000150704308 186057951 /nfs/dbraw/zinc/05/79/51/186057951.db2.gz LZXJHIGDFXHGBK-CYBMUJFWSA-N 0 0 316.361 0.260 50 0 DCAARN CCn1nc(C)c2nnn(CC(=O)N3CCCCC3)c(=O)c21 ZINC000072265380 191090018 /nfs/dbraw/zinc/09/00/18/191090018.db2.gz SJCAVBFZOAIAHZ-UHFFFAOYSA-N 0 0 304.354 0.329 50 0 DCAARN CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)o1 ZINC000072281820 191103257 /nfs/dbraw/zinc/10/32/57/191103257.db2.gz TZBYSEXJQCNIFF-SNVBAGLBSA-N 0 0 324.362 0.752 50 0 DCAARN O=C(CN1CC(=O)NC1=O)N1CCC[C@H](c2nccs2)C1 ZINC000072285103 191104673 /nfs/dbraw/zinc/10/46/73/191104673.db2.gz VXVFWWFGQWUKQW-VIFPVBQESA-N 0 0 308.363 0.401 50 0 DCAARN O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccs1 ZINC000072288532 191107229 /nfs/dbraw/zinc/10/72/29/191107229.db2.gz ZUHFFCRMXJXYGW-LBPRGKRZSA-N 0 0 323.418 0.411 50 0 DCAARN CN1CCCN(C(=O)CN2CCOCC2=O)c2cc(F)ccc21 ZINC000280036265 215328553 /nfs/dbraw/zinc/32/85/53/215328553.db2.gz YSASZXODMAQLLW-UHFFFAOYSA-N 0 0 321.352 0.857 50 0 DCAARN NC(=O)Cn1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)nn1 ZINC000072298613 191113415 /nfs/dbraw/zinc/11/34/15/191113415.db2.gz FGAVUPYGIAYXHA-SECBINFHSA-N 0 0 320.378 0.240 50 0 DCAARN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2C(=O)Cc2cnn(C)c2)O1 ZINC000253392775 186303578 /nfs/dbraw/zinc/30/35/78/186303578.db2.gz RVVWRGOKKNGJGG-ASEORRQLSA-N 0 0 321.377 0.673 50 0 DCAARN O=c1[nH]nc2n1CCN(S(=O)(=O)c1ccc(F)cc1F)C2 ZINC000253398050 186306124 /nfs/dbraw/zinc/30/61/24/186306124.db2.gz BVKUYVDZKWVMFQ-UHFFFAOYSA-N 0 0 316.289 0.054 50 0 DCAARN COCn1ncnc1-n1cc(I)cn1 ZINC000253412324 186309641 /nfs/dbraw/zinc/30/96/41/186309641.db2.gz QPXKCOQPERBTBY-UHFFFAOYSA-N 0 0 305.079 0.672 50 0 DCAARN Cc1ccc(NC(=O)CSc2nnc3n(N)cnn23)cc1 ZINC000000034902 180673209 /nfs/dbraw/zinc/67/32/09/180673209.db2.gz QYVIWNCUWVHEPN-UHFFFAOYSA-N 0 0 303.351 0.679 50 0 DCAARN NC(=O)N1CCC[C@@H](C(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000072411325 191153888 /nfs/dbraw/zinc/15/38/88/191153888.db2.gz MJPFMEGXFRZJBW-GFCCVEGCSA-N 0 0 305.382 0.906 50 0 DCAARN CN1CCN(C(=O)CCc2cn3ccccc3n2)C[C@H]1CCO ZINC000072410123 191154135 /nfs/dbraw/zinc/15/41/35/191154135.db2.gz SEZQYNVZVORFCG-OAHLLOKOSA-N 0 0 316.405 0.792 50 0 DCAARN Cc1cnc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)nc1N ZINC000072436385 191165641 /nfs/dbraw/zinc/16/56/41/191165641.db2.gz DXAGVQXYRLBLOV-QWHCGFSZSA-N 0 0 319.409 0.567 50 0 DCAARN Cc1nn2c(nc(C)cc2NCc2noc(C(N)=O)n2)c1C ZINC000072438178 191168022 /nfs/dbraw/zinc/16/80/22/191168022.db2.gz HNCIFLYHQRTXFY-UHFFFAOYSA-N 0 0 301.310 0.749 50 0 DCAARN Cc1cccnc1CN1CCN(C(=O)CCn2cnnn2)CC1 ZINC000072454094 191171755 /nfs/dbraw/zinc/17/17/55/191171755.db2.gz QJVAFKCPRZOLLM-UHFFFAOYSA-N 0 0 315.381 0.111 50 0 DCAARN CCc1cc(NCCN2CCNC(=O)C2)n2nc(C)c(C)c2n1 ZINC000072473742 191177249 /nfs/dbraw/zinc/17/72/49/191177249.db2.gz GGOOBBWFMOPDJO-UHFFFAOYSA-N 0 0 316.409 0.752 50 0 DCAARN COCc1noc(-c2ccc(NCCN3CCNC3=O)nc2)n1 ZINC000072478248 191179641 /nfs/dbraw/zinc/17/96/41/191179641.db2.gz QPUYHRQCEBBRSF-UHFFFAOYSA-N 0 0 318.337 0.715 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@H]1c1cccnc1 ZINC000331843100 234187455 /nfs/dbraw/zinc/18/74/55/234187455.db2.gz BERGCQFRTOBPQQ-GFCCVEGCSA-N 0 0 300.318 0.708 50 0 DCAARN CC1(C)NC(=O)N(C[C@H](O)Cn2nnc3ccccc32)C1=O ZINC000001312082 180854379 /nfs/dbraw/zinc/85/43/79/180854379.db2.gz KVJVZBVYFIOVJH-VIFPVBQESA-N 0 0 303.322 0.123 50 0 DCAARN O=C1CCC(=O)N1CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000072991545 191265171 /nfs/dbraw/zinc/26/51/71/191265171.db2.gz KSODBOWOCYUDNT-UHFFFAOYSA-N 0 0 322.795 0.829 50 0 DCAARN C[C@@H]1CN(CCO)CCN1C(=O)c1nn(C)c2c1CCCC2 ZINC000331957767 234318225 /nfs/dbraw/zinc/31/82/25/234318225.db2.gz ICYIUIGGVMXGCN-GFCCVEGCSA-N 0 0 306.410 0.438 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(OC)cc1 ZINC000003306979 181002977 /nfs/dbraw/zinc/00/29/77/181002977.db2.gz YJCLWSKOKBJEGH-GFCCVEGCSA-N 0 0 306.318 0.199 50 0 DCAARN COc1ccccc1C(=O)NC(=O)CSc1nnnn1C ZINC000003388849 181014544 /nfs/dbraw/zinc/01/45/44/181014544.db2.gz WTTIOBALFFISGV-UHFFFAOYSA-N 0 0 307.335 0.267 50 0 DCAARN C[C@H](OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(N)=O ZINC000003384618 181014026 /nfs/dbraw/zinc/01/40/26/181014026.db2.gz JIOGZEOVYLXYPQ-LURJTMIESA-N 0 0 305.739 0.774 50 0 DCAARN COC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000003648053 181043610 /nfs/dbraw/zinc/04/36/10/181043610.db2.gz CUCAZZQPISJXOS-MNOVXSKESA-N 0 0 308.334 0.979 50 0 DCAARN CCCCCCN1C(=O)C[C@H](SC[C@H]([NH3+])C(=O)[O-])C1=O ZINC000003771323 181045043 /nfs/dbraw/zinc/04/50/43/181045043.db2.gz VENBUKGMIBBKTQ-UWVGGRQHSA-N 0 0 302.396 0.839 50 0 DCAARN Nc1nonc1C(=O)NCCNC(=O)CCc1ccccc1 ZINC000003772566 181045115 /nfs/dbraw/zinc/04/51/15/181045115.db2.gz OLHAAZFPARNTTR-UHFFFAOYSA-N 0 0 303.322 0.131 50 0 DCAARN COc1cccc(OCC(=O)O[C@H]2CCS(=O)(=O)C2)c1 ZINC000004071107 181069917 /nfs/dbraw/zinc/06/99/17/181069917.db2.gz PLEWHCYXJJUKEP-LBPRGKRZSA-N 0 0 300.332 0.804 50 0 DCAARN Cc1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1C ZINC000004270158 181090325 /nfs/dbraw/zinc/09/03/25/181090325.db2.gz YEHBQNNEDCOLGJ-UHFFFAOYSA-N 0 0 323.374 0.502 50 0 DCAARN CCc1ccc(NC(=O)CN2CCN(CC)C(=O)C2=O)cc1 ZINC000004326269 181098072 /nfs/dbraw/zinc/09/80/72/181098072.db2.gz CURDXXWRRUATJV-UHFFFAOYSA-N 0 0 303.362 0.878 50 0 DCAARN Cc1ccccc1OS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000004338495 181100332 /nfs/dbraw/zinc/10/03/32/181100332.db2.gz WDLKBGBCSNCDRI-UHFFFAOYSA-N 0 0 310.331 0.160 50 0 DCAARN COc1cccc(N2C[C@H](NC(=O)N3CCOCC3)CC2=O)c1 ZINC000004373266 181103607 /nfs/dbraw/zinc/10/36/07/181103607.db2.gz SGZYDRNWMNJISX-GFCCVEGCSA-N 0 0 319.361 0.842 50 0 DCAARN COCCCNS(=O)(=O)c1cc2c(cc1C)OCC(=O)N2 ZINC000004512197 181118423 /nfs/dbraw/zinc/11/84/23/181118423.db2.gz STBSPYKQDMWOOX-UHFFFAOYSA-N 0 0 314.363 0.641 50 0 DCAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nc[nH]n2)cc1 ZINC000004603751 181129291 /nfs/dbraw/zinc/12/92/91/181129291.db2.gz STPZUUYFRHSOLM-UHFFFAOYSA-N 0 0 313.364 0.183 50 0 DCAARN Nc1n[nH]c(SCC(=O)NC[C@@H]2COc3ccccc3O2)n1 ZINC000004957841 181179418 /nfs/dbraw/zinc/17/94/18/181179418.db2.gz ZOVBEWXBUPBVRP-MRVPVSSYSA-N 0 0 321.362 0.435 50 0 DCAARN CN(Cc1ncnn1C)S(=O)(=O)c1ccc(Cl)nc1 ZINC000074980163 191401398 /nfs/dbraw/zinc/40/13/98/191401398.db2.gz DZDNOONPWYMUAR-UHFFFAOYSA-N 0 0 301.759 0.684 50 0 DCAARN Cc1n[n-]c(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1=O ZINC000005009339 181189946 /nfs/dbraw/zinc/18/99/46/181189946.db2.gz XPCHTSNVKCLHLM-UHFFFAOYSA-N 0 0 300.366 0.969 50 0 DCAARN O=C1CCc2cc(S(=O)(=O)N3CCOCC3)cc3c2N1CC3 ZINC000005153463 181210385 /nfs/dbraw/zinc/21/03/85/181210385.db2.gz VLIWXVYBYCRRRA-UHFFFAOYSA-N 0 0 322.386 0.543 50 0 DCAARN Cc1ccc(OCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000005172947 181213328 /nfs/dbraw/zinc/21/33/28/181213328.db2.gz XOMZMVXQHSOGIH-UHFFFAOYSA-N 0 0 314.345 0.821 50 0 DCAARN CCOC(=O)N1CCN(c2ncnc3c2nnn3CC)CC1 ZINC000005250432 181221918 /nfs/dbraw/zinc/22/19/18/181221918.db2.gz FWTXRTSQSIVHCR-UHFFFAOYSA-N 0 0 305.342 0.520 50 0 DCAARN CS(=O)(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005250682 181221954 /nfs/dbraw/zinc/22/19/54/181221954.db2.gz QWSYXKXANPMHAA-UHFFFAOYSA-N 0 0 304.393 0.988 50 0 DCAARN COc1ccc(-c2noc(Cn3ncn(C)c3=O)n2)cc1OC ZINC000153973734 291209944 /nfs/dbraw/zinc/20/99/44/291209944.db2.gz VQQUVMFAILGZLS-UHFFFAOYSA-N 0 0 317.305 0.697 50 0 DCAARN CCc1ccccc1CN1CCN(CCS(N)(=O)=O)CC1 ZINC000189200054 200363321 /nfs/dbraw/zinc/36/33/21/200363321.db2.gz JMZCXFQYKCSCIM-UHFFFAOYSA-N 0 0 311.451 0.655 50 0 DCAARN CCn1ncnc1CN1CCC([C@@H](O)c2nccn2C)CC1 ZINC000193441566 201051552 /nfs/dbraw/zinc/05/15/52/201051552.db2.gz PDCODZWBXLUFKA-CQSZACIVSA-N 0 0 304.398 0.977 50 0 DCAARN Cc1cc(N)n(CC(=O)N2CCN(C3CCCCC3)C(=O)C2)n1 ZINC000244795097 202499316 /nfs/dbraw/zinc/49/93/16/202499316.db2.gz QZJRPRJINOAVGB-UHFFFAOYSA-N 0 0 319.409 0.777 50 0 DCAARN Cc1cc(C)n2nc(S(=O)(=O)Cc3ccnn3C)nc2n1 ZINC000195088888 201336163 /nfs/dbraw/zinc/33/61/63/201336163.db2.gz DWEMPPXGRVOINF-UHFFFAOYSA-N 0 0 306.351 0.449 50 0 DCAARN C[C@H](NC(=O)Cn1ncc2ncccc21)C(=O)N1CCCCC1 ZINC000408525348 239273805 /nfs/dbraw/zinc/27/38/05/239273805.db2.gz XRAXXECGVSEDOE-LBPRGKRZSA-N 0 0 315.377 0.949 50 0 DCAARN CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000006561281 181355161 /nfs/dbraw/zinc/35/51/61/181355161.db2.gz WNWSRHJVYSTAPH-UHFFFAOYSA-N 0 0 312.391 0.766 50 0 DCAARN CCCNC(=O)CN(C)CC(=O)NCc1ccc(OC)cc1 ZINC000006650721 181365285 /nfs/dbraw/zinc/36/52/85/181365285.db2.gz YYKNGOMEDLIBIS-UHFFFAOYSA-N 0 0 307.394 0.769 50 0 DCAARN COCCN1CC2=C(C1=O)[C@H](c1ccc(O)cc1)NC(=O)N2C ZINC000006668398 181367864 /nfs/dbraw/zinc/36/78/64/181367864.db2.gz UTCYXFWTPXHWPV-AWEZNQCLSA-N 0 0 317.345 0.831 50 0 DCAARN COC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2nc(C)sc2n1 ZINC000052307187 291325804 /nfs/dbraw/zinc/32/58/04/291325804.db2.gz BGSZIIDPHUVTJZ-NSHDSACASA-N 0 0 322.390 0.987 50 0 DCAARN CCOC(=O)C1CCN(c2c(=O)c(=O)c2N2CCCC2)CC1 ZINC000006738800 181380506 /nfs/dbraw/zinc/38/05/06/181380506.db2.gz WQPQIHXTCFULLP-UHFFFAOYSA-N 0 0 306.362 0.662 50 0 DCAARN Cc1[nH]ccc1C(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2OCCO ZINC000091320838 193040213 /nfs/dbraw/zinc/04/02/13/193040213.db2.gz KSXPAWRAHKXHFT-KGLIPLIRSA-N 0 0 308.378 0.688 50 0 DCAARN NC(=O)N1CCC[C@H](C(=O)NCc2noc(-c3ccco3)n2)C1 ZINC000091551804 193072810 /nfs/dbraw/zinc/07/28/10/193072810.db2.gz LKRXPNWDMFULBU-VIFPVBQESA-N 0 0 319.321 0.737 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)NCc1cn2ccsc2n1 ZINC000091604520 193078366 /nfs/dbraw/zinc/07/83/66/193078366.db2.gz KIDMYERBDLHSMI-QMMMGPOBSA-N 0 0 307.335 0.000 50 0 DCAARN COc1ccccc1CC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C(=O)[O-])C1 ZINC000091486101 193062297 /nfs/dbraw/zinc/06/22/97/193062297.db2.gz JRBFXHDHXCQALI-CXAGYDPISA-N 0 0 318.373 0.713 50 0 DCAARN Cc1nc(CCCNC(=O)CN2C(=O)CNC2=O)sc1C ZINC000091643825 193084380 /nfs/dbraw/zinc/08/43/80/193084380.db2.gz KDIBOUCUOJMNTB-UHFFFAOYSA-N 0 0 310.379 0.361 50 0 DCAARN CN(Cc1cccnc1Cl)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C ZINC000091746614 193101688 /nfs/dbraw/zinc/10/16/88/193101688.db2.gz WKGLYAPUJPVBLG-JTQLQIEISA-N 0 0 324.768 0.976 50 0 DCAARN COc1ccc(N2CCN([C@H](C)C(=O)N(C)C)CC2=O)cc1 ZINC000091736580 193099498 /nfs/dbraw/zinc/09/94/98/193099498.db2.gz SPXUYWWYXIVGJR-GFCCVEGCSA-N 0 0 305.378 0.821 50 0 DCAARN CN(CCNC(=O)c1cc(=O)[nH]c2ccccc21)S(C)(=O)=O ZINC000091625456 193081361 /nfs/dbraw/zinc/08/13/61/193081361.db2.gz JCOKREHBDXKVFL-UHFFFAOYSA-N 0 0 323.374 0.149 50 0 DCAARN COCC[C@@]1(CO)CCCN(C(=O)CCc2nnc(C)[nH]2)C1 ZINC000091847769 193117305 /nfs/dbraw/zinc/11/73/05/193117305.db2.gz SXKWPRFUWQMNRF-HNNXBMFYSA-N 0 0 310.398 0.683 50 0 DCAARN C[N@@H+]1CC[C@H]2CN(C(=O)CCc3cccnc3)C[C@@]2(C(=O)[O-])C1 ZINC000091872353 193120794 /nfs/dbraw/zinc/12/07/94/193120794.db2.gz PWXQGMWOOXJGDW-YOEHRIQHSA-N 0 0 317.389 0.879 50 0 DCAARN Cn1nc(CC(N)=O)nc1-c1ccc(N2CCOCC2)cc1 ZINC000091907507 193124908 /nfs/dbraw/zinc/12/49/08/193124908.db2.gz BTKKLYYDMMTKER-UHFFFAOYSA-N 0 0 301.350 0.347 50 0 DCAARN COc1ccc(CCN2C[C@H](C(=O)NCCO)CCC2=O)cc1 ZINC000091914582 193126162 /nfs/dbraw/zinc/12/61/62/193126162.db2.gz WKLCAFUJXACCRS-CQSZACIVSA-N 0 0 320.389 0.585 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)NCc1ccc2c(c1)OCO2 ZINC000092080897 193155234 /nfs/dbraw/zinc/15/52/34/193155234.db2.gz KFEVXUJDNWHDKB-SECBINFHSA-N 0 0 305.290 0.020 50 0 DCAARN COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc(N)nc1)C2 ZINC000092098792 193158340 /nfs/dbraw/zinc/15/83/40/193158340.db2.gz SSFLRFOOMPXNJU-QWHCGFSZSA-N 0 0 318.377 0.373 50 0 DCAARN CCn1ccc(C(=O)N[C@H]2C[C@@H](c3nnc(CO)n3C)C2)n1 ZINC000220712630 201579494 /nfs/dbraw/zinc/57/94/94/201579494.db2.gz OYXFRHUKOLHUSF-MGCOHNPYSA-N 0 0 304.354 0.200 50 0 DCAARN Cn1cc([C@H](NC(=O)c2c[nH]c(=O)cn2)C2CC(O)C2)cn1 ZINC000220717172 201579891 /nfs/dbraw/zinc/57/98/91/201579891.db2.gz RSDZTVJGHKEIGF-QDPIBXHXSA-N 0 0 303.322 0.158 50 0 DCAARN CC[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1nc(C)no1 ZINC000220611694 201577873 /nfs/dbraw/zinc/57/78/73/201577873.db2.gz YTEWSRHLCCRBDL-MRVPVSSYSA-N 0 0 309.326 0.276 50 0 DCAARN O=C(CCC(=O)N1CC(N2CCOCC2)C1)Nc1ccccc1 ZINC000252490000 202845370 /nfs/dbraw/zinc/84/53/70/202845370.db2.gz KHBKPSDHGFDVRC-UHFFFAOYSA-N 0 0 317.389 0.948 50 0 DCAARN Cn1nc(-c2cccnc2)cc1CNS(=O)(=O)N1CCCC1 ZINC000253473835 202893828 /nfs/dbraw/zinc/89/38/28/202893828.db2.gz YXOLKEFXGOVGMZ-UHFFFAOYSA-N 0 0 321.406 0.912 50 0 DCAARN COC(=O)c1cn(CCn2nc(C)cc2C)cc2c(=O)[nH]nc1-2 ZINC000263587730 203485472 /nfs/dbraw/zinc/48/54/72/203485472.db2.gz KPLTZKUSHVSFRJ-UHFFFAOYSA-N 0 0 315.333 0.976 50 0 DCAARN COCCNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000095477604 193444992 /nfs/dbraw/zinc/44/49/92/193444992.db2.gz HVOLFQHYKYYXIB-SECBINFHSA-N 0 0 320.324 0.818 50 0 DCAARN COCCNC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000095477605 193445158 /nfs/dbraw/zinc/44/51/58/193445158.db2.gz HVOLFQHYKYYXIB-VIFPVBQESA-N 0 0 320.324 0.818 50 0 DCAARN O=C(Cn1cnc2ccccc2c1=O)N1CCc2ncncc2C1 ZINC000096122834 193546568 /nfs/dbraw/zinc/54/65/68/193546568.db2.gz NHYQGDLMWNHBHY-UHFFFAOYSA-N 0 0 321.340 0.771 50 0 DCAARN O=C(CNC(=O)c1cnccn1)NCc1c(F)cccc1F ZINC000096223761 193590233 /nfs/dbraw/zinc/59/02/33/193590233.db2.gz BCZVHRDEQPEUEB-UHFFFAOYSA-N 0 0 306.272 0.801 50 0 DCAARN Cc1cnc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)o1 ZINC000096443272 193647975 /nfs/dbraw/zinc/64/79/75/193647975.db2.gz REERAWBUYFTELZ-UHFFFAOYSA-N 0 0 322.390 0.885 50 0 DCAARN O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NC1CC1 ZINC000012389443 181755851 /nfs/dbraw/zinc/75/58/51/181755851.db2.gz XCYRZYNTUUDHET-LLVKDONJSA-N 0 0 301.346 0.434 50 0 DCAARN CCOC(=O)CSc1nnc(-c2cn(C)nc2OC)n1C ZINC000012422584 181760782 /nfs/dbraw/zinc/76/07/82/181760782.db2.gz CRZFKQDDRSZFHO-UHFFFAOYSA-N 0 0 311.367 0.879 50 0 DCAARN COc1ccc(CCNC(=O)CN2C(=O)CN(C)C2=O)cc1 ZINC000012600690 181781774 /nfs/dbraw/zinc/78/17/74/181781774.db2.gz NPBRYBLBIBHMRD-UHFFFAOYSA-N 0 0 305.334 0.248 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2ccccc2[nH]c1=O ZINC000012616140 181782664 /nfs/dbraw/zinc/78/26/64/181782664.db2.gz FYFAKXGDYYMNPW-JTQLQIEISA-N 0 0 306.343 0.445 50 0 DCAARN O=C(COC(=O)c1ccc[nH]c1=O)NCc1ccc(F)cc1 ZINC000016045407 182030668 /nfs/dbraw/zinc/03/06/68/182030668.db2.gz JHZXPDRTKWJGRA-UHFFFAOYSA-N 0 0 304.277 0.987 50 0 DCAARN CN(CC(=O)Nc1nncs1)S(=O)(=O)c1ccccc1 ZINC000016606255 182053280 /nfs/dbraw/zinc/05/32/80/182053280.db2.gz UERZLDDPXQJNIX-UHFFFAOYSA-N 0 0 312.376 0.797 50 0 DCAARN CCS(=O)(=O)N1CCc2ccc(NC(=O)COC)cc2C1 ZINC000017316598 182082735 /nfs/dbraw/zinc/08/27/35/182082735.db2.gz IMOSZRAWNXCHTJ-UHFFFAOYSA-N 0 0 312.391 0.979 50 0 DCAARN O=C(NC1CCC1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 ZINC000019732470 182139405 /nfs/dbraw/zinc/13/94/05/182139405.db2.gz OQDGHBMEYKTCIE-CQSZACIVSA-N 0 0 323.437 0.616 50 0 DCAARN CCOC(=O)[C@@H]1CCc2sc3ncn(CC(N)=O)c(=O)c3c21 ZINC000019797239 182150854 /nfs/dbraw/zinc/15/08/54/182150854.db2.gz YYTYQKMYOUEXFH-SSDOTTSWSA-N 0 0 321.358 0.536 50 0 DCAARN NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000019862211 182158563 /nfs/dbraw/zinc/15/85/63/182158563.db2.gz IEBNWJPMRZPIHQ-LLVKDONJSA-N 0 0 300.355 0.853 50 0 DCAARN COc1ccc(C)cc1S(=O)(=O)NCCN1CCOCC1 ZINC000020065250 182184185 /nfs/dbraw/zinc/18/41/85/182184185.db2.gz WJVDUTPFILODHK-UHFFFAOYSA-N 0 0 314.407 0.614 50 0 DCAARN CCCCn1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000020354909 182210181 /nfs/dbraw/zinc/21/01/81/182210181.db2.gz UBIQWHAQKLHFHD-UHFFFAOYSA-N 0 0 321.381 0.056 50 0 DCAARN CC(=O)c1ccc(OC[C@H](O)CN2CCN(CCO)CC2)cc1 ZINC000020347375 182210248 /nfs/dbraw/zinc/21/02/48/182210248.db2.gz IDYSKSGWTDOLFO-MRXNPFEDSA-N 0 0 322.405 0.239 50 0 aggregator DCAARN COc1c[nH]c(C(=O)NCCC(=O)NC2CCCCC2)cc1=O ZINC000097696191 193748161 /nfs/dbraw/zinc/74/81/61/193748161.db2.gz ZWWFNOOOTDDWRM-UHFFFAOYSA-N 0 0 321.377 0.952 50 0 DCAARN CCOc1ccc2c(c1)C(=O)C(=O)N2CCN1CCOCC1 ZINC000020588967 182235628 /nfs/dbraw/zinc/23/56/28/182235628.db2.gz ZJTCKHXEYZDCAM-UHFFFAOYSA-N 0 0 304.346 0.947 50 0 DCAARN CSc1nc2n(n1)[C@H](c1ccnn1C)C(C(N)=O)=C(C)N2 ZINC000020607939 182237780 /nfs/dbraw/zinc/23/77/80/182237780.db2.gz NYUJNHAHLRKLHK-SECBINFHSA-N 0 0 305.367 0.508 50 0 DCAARN O=C(Cc1cn2ccsc2n1)N1Cc2cnn(CCO)c2C1 ZINC000097732527 193751748 /nfs/dbraw/zinc/75/17/48/193751748.db2.gz XJBDDMLEUSDTQA-UHFFFAOYSA-N 0 0 317.374 0.670 50 0 DCAARN C[C@H]1C(=O)N(CC(=O)NC(N)=O)C(=O)N1c1ccc(F)cc1 ZINC000021267522 182270329 /nfs/dbraw/zinc/27/03/29/182270329.db2.gz XDYQXPCUAXQSKQ-ZETCQYMHSA-N 0 0 308.269 0.178 50 0 DCAARN Cc1nc(N2CCCC2)ncc1C(=O)NCCN1CCOCC1 ZINC000021637755 182281489 /nfs/dbraw/zinc/28/14/89/182281489.db2.gz WRIRRNJFJJBDIP-UHFFFAOYSA-N 0 0 319.409 0.447 50 0 DCAARN NC(=O)C1CCN(C(=O)Cn2cnc3ccsc3c2=O)CC1 ZINC000022186996 182311785 /nfs/dbraw/zinc/31/17/85/182311785.db2.gz IFJDZJLMYJFQGT-UHFFFAOYSA-N 0 0 320.374 0.182 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(S[C@@H]2CCOC2=O)nc1 ZINC000022224796 182313787 /nfs/dbraw/zinc/31/37/87/182313787.db2.gz URUVZAAQGVISDB-SECBINFHSA-N 0 0 302.377 0.740 50 0 DCAARN O=C(NCCn1ncccc1=O)Nc1ccc2c(c1)OCO2 ZINC000023137085 182350540 /nfs/dbraw/zinc/35/05/40/182350540.db2.gz QXKMTCCGLXSJSX-UHFFFAOYSA-N 0 0 302.290 0.794 50 0 DCAARN COc1ccc(S(=O)(=O)NCCCn2ncccc2=O)cc1 ZINC000023137457 182350720 /nfs/dbraw/zinc/35/07/20/182350720.db2.gz VZLGMIAHCZIPFB-UHFFFAOYSA-N 0 0 323.374 0.621 50 0 DCAARN Cc1noc(COC(=O)CNC(=O)c2ccc3c(c2)OCO3)n1 ZINC000023374617 182358590 /nfs/dbraw/zinc/35/85/90/182358590.db2.gz YYDRGGAKJBPWSV-UHFFFAOYSA-N 0 0 319.273 0.580 50 0 DCAARN O=C1N[C@]2(CCSC2)C(=O)N1C[C@@H](O)COc1ccccc1 ZINC000024096841 182374857 /nfs/dbraw/zinc/37/48/57/182374857.db2.gz IXUYFPKIRPFBRI-ABAIWWIYSA-N 0 0 322.386 0.854 50 0 DCAARN CNC(=O)CN(C)C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000024094481 182375086 /nfs/dbraw/zinc/37/50/86/182375086.db2.gz OJVXLSVDDCJQBP-VOTSOKGWSA-N 0 0 322.361 0.930 50 0 DCAARN COC(=O)[C@@H](CC(C)C)NC(=O)c1cccc(-n2cnnn2)c1 ZINC000024724961 182389174 /nfs/dbraw/zinc/38/91/74/182389174.db2.gz MFGWCFKFCISGMA-CYBMUJFWSA-N 0 0 317.349 0.980 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)NC2CCC(O)CC2)cc1 ZINC000024760537 182389965 /nfs/dbraw/zinc/38/99/65/182389965.db2.gz GWBQCZSHYDDHQM-UHFFFAOYSA-N 0 0 312.391 0.628 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000024471695 182381660 /nfs/dbraw/zinc/38/16/60/182381660.db2.gz NLIWOQVRXCFMNT-STQMWFEESA-N 0 0 318.377 0.554 50 0 DCAARN C[C@H](CNS(=O)(=O)c1ccc(F)cc1F)N1CCOCC1 ZINC000024682078 182387073 /nfs/dbraw/zinc/38/70/73/182387073.db2.gz HQAZVFSXIZWWBS-SNVBAGLBSA-N 0 0 320.361 0.964 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(C)sc1C ZINC000025023421 182399688 /nfs/dbraw/zinc/39/96/88/182399688.db2.gz DKNJMFWLYVSTRC-NSHDSACASA-N 0 0 310.375 0.869 50 0 DCAARN C[C@H](C(=O)O[C@H]1CCOC1=O)N1C(=O)c2ccccc2C1=O ZINC000024971078 182396671 /nfs/dbraw/zinc/39/66/71/182396671.db2.gz HVURQZOQWCAZKW-KCJUWKMLSA-N 0 0 303.270 0.530 50 0 DCAARN COCCNC(=O)CNC(=O)CCc1nc2ccccc2[nH]1 ZINC000028323056 182520366 /nfs/dbraw/zinc/52/03/66/182520366.db2.gz GOXJFWQCKMOPHX-UHFFFAOYSA-N 0 0 304.350 0.374 50 0 DCAARN COc1cccc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c1 ZINC000029207372 182556122 /nfs/dbraw/zinc/55/61/22/182556122.db2.gz ZRVMOWHMMRADSI-LBPRGKRZSA-N 0 0 312.391 0.849 50 0 DCAARN C[C@@H](CCc1ccccc1)NC(=O)NCCNS(C)(=O)=O ZINC000029319571 182559930 /nfs/dbraw/zinc/55/99/30/182559930.db2.gz MRUNQFLBYLCORZ-LBPRGKRZSA-N 0 0 313.423 0.856 50 0 DCAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1cn[nH]c1 ZINC000030663525 182595041 /nfs/dbraw/zinc/59/50/41/182595041.db2.gz KRWWRUTUBOGBKA-UHFFFAOYSA-N 0 0 319.346 0.477 50 0 DCAARN O=C(NCCCN1CCOCC1)C(=O)Nc1ccc(O)cc1 ZINC000031811274 182624691 /nfs/dbraw/zinc/62/46/91/182624691.db2.gz XKLDEWDMSGSBQZ-UHFFFAOYSA-N 0 0 307.350 0.169 50 0 DCAARN Cc1cc(C)cc(OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 ZINC000034894829 182741813 /nfs/dbraw/zinc/74/18/13/182741813.db2.gz IIWXFDZJMWENNY-UHFFFAOYSA-N 0 0 317.345 0.545 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)C(C)(C)C)C[C@@H](C)O1 ZINC000040089306 183032496 /nfs/dbraw/zinc/03/24/96/183032496.db2.gz QEOSHZWXWOOYOS-GHMZBOCLSA-N 0 0 306.428 0.588 50 0 DCAARN CC(C)c1noc(CS(=O)(=O)Cc2nnnn2C2CC2)n1 ZINC000040106224 183035686 /nfs/dbraw/zinc/03/56/86/183035686.db2.gz VBXOCVXQZPFIKI-UHFFFAOYSA-N 0 0 312.355 0.629 50 0 DCAARN O=C(Cn1ccccc1=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000040460925 183069757 /nfs/dbraw/zinc/06/97/57/183069757.db2.gz RGRBLIBDERAUJD-UHFFFAOYSA-N 0 0 318.333 0.134 50 0 DCAARN CC(=O)N1CCN(C(=O)C[C@@H](C)NC(=O)c2ccccc2)CC1 ZINC000040462864 183070496 /nfs/dbraw/zinc/07/04/96/183070496.db2.gz QTVCWQYUZZVATI-CYBMUJFWSA-N 0 0 317.389 0.886 50 0 DCAARN COc1cc(/C=C/C(=O)N[C@@H](C)C(N)=O)cc(OC)c1OC ZINC000040475740 183074460 /nfs/dbraw/zinc/07/44/60/183074460.db2.gz BUDWTWKAJWKISX-CYNONHLPSA-N 0 0 308.334 0.716 50 0 DCAARN CC(C)=CCN1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000040475928 183074908 /nfs/dbraw/zinc/07/49/08/183074908.db2.gz JEEUIWVDTVFDQI-CYBMUJFWSA-N 0 0 300.424 0.532 50 0 DCAARN O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1cccnc1 ZINC000040490227 183080042 /nfs/dbraw/zinc/08/00/42/183080042.db2.gz MRONVTYCXJVCEC-DZGCQCFKSA-N 0 0 320.393 0.940 50 0 DCAARN COc1ccc(C)cc1NC(=O)CNC(=O)CCn1cncn1 ZINC000040493933 183080522 /nfs/dbraw/zinc/08/05/22/183080522.db2.gz BUMSZXWDKPIRGN-UHFFFAOYSA-N 0 0 317.349 0.740 50 0 DCAARN CC(=O)CCN1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000040511281 183087006 /nfs/dbraw/zinc/08/70/06/183087006.db2.gz JWDZSNODZFWUIR-UHFFFAOYSA-N 0 0 300.366 0.763 50 0 DCAARN COc1cc(C(=O)N[C@@H]2CCCCNC2=O)cc2c1OCCO2 ZINC000040521583 183091052 /nfs/dbraw/zinc/09/10/52/183091052.db2.gz PAWVZHAGRXGLRX-LLVKDONJSA-N 0 0 320.345 0.865 50 0 DCAARN CC[C@H](C)c1noc([C@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 ZINC000040714794 183122943 /nfs/dbraw/zinc/12/29/43/183122943.db2.gz FHXRQBFYSVLZMU-QWRGUYRKSA-N 0 0 319.369 0.976 50 0 DCAARN COC(=O)CCCNC(=O)CCNC(=O)c1ccc(OC)cc1 ZINC000041097880 183165094 /nfs/dbraw/zinc/16/50/94/183165094.db2.gz LONIMZGPYAQJIM-UHFFFAOYSA-N 0 0 322.361 0.885 50 0 DCAARN Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@@H](C)C(N)=O)c1 ZINC000041842033 183222018 /nfs/dbraw/zinc/22/20/18/183222018.db2.gz SHUIJLPMTOBQMM-VIFPVBQESA-N 0 0 319.390 0.532 50 0 DCAARN O=C(c1ccc(O)cn1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299776950 284664003 /nfs/dbraw/zinc/66/40/03/284664003.db2.gz GDTOJDLNKDBEHG-STQMWFEESA-N 0 0 301.306 0.365 50 0 DCAARN C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000042536247 183282235 /nfs/dbraw/zinc/28/22/35/183282235.db2.gz ASXWVLPQBPUIDP-NWDGAFQWSA-N 0 0 314.411 0.059 50 0 DCAARN COc1ccc(CCNC(=O)N2CC[C@@H](C(N)=O)C2)cc1OC ZINC000043000772 183327014 /nfs/dbraw/zinc/32/70/14/183327014.db2.gz YYSSLVWPTJIEQI-GFCCVEGCSA-N 0 0 321.377 0.763 50 0 DCAARN O=C(NCCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C1CC1 ZINC000043944892 183390541 /nfs/dbraw/zinc/39/05/41/183390541.db2.gz LFNBADIOGVZHMT-LBPRGKRZSA-N 0 0 319.361 0.271 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)NCC1(c2ccccc2)CC1 ZINC000045045870 183477117 /nfs/dbraw/zinc/47/71/17/183477117.db2.gz QCGOMYGKNFCEBR-UHFFFAOYSA-N 0 0 322.430 0.565 50 0 DCAARN O=C(Cn1cnc2sccc2c1=O)N[C@H]1CCCCNC1=O ZINC000047971834 183611902 /nfs/dbraw/zinc/61/19/02/183611902.db2.gz PVIGHTDWNRCYBP-JTQLQIEISA-N 0 0 320.374 0.243 50 0 DCAARN CN(C)[C@@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccco1 ZINC000048289067 183638894 /nfs/dbraw/zinc/63/88/94/183638894.db2.gz QDSXEIZVLRBDIT-RYUDHWBXSA-N 0 0 308.382 0.789 50 0 DCAARN CCn1cnnc1CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000048273763 183636196 /nfs/dbraw/zinc/63/61/96/183636196.db2.gz MSPKFDRLZGKOQI-GXTWGEPZSA-N 0 0 301.350 0.756 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000106570499 194232051 /nfs/dbraw/zinc/23/20/51/194232051.db2.gz GIVLSITXVLGBBE-NEPJUHHUSA-N 0 0 303.366 0.027 50 0 DCAARN COc1ccc(NC(=O)c2cnc(C)cn2)cc1OCC(N)=O ZINC000048332343 183645774 /nfs/dbraw/zinc/64/57/74/183645774.db2.gz VFMWGUVADLAMEM-UHFFFAOYSA-N 0 0 316.317 0.910 50 0 DCAARN CC(=O)N1CCC[C@@H]1C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000048534684 183663425 /nfs/dbraw/zinc/66/34/25/183663425.db2.gz NYTZGLPOZNEYMS-CYBMUJFWSA-N 0 0 320.345 0.921 50 0 DCAARN CC(C)N(CC(N)=O)CC(=O)NCCOc1ccc(F)cc1 ZINC000051966469 183844198 /nfs/dbraw/zinc/84/41/98/183844198.db2.gz QVOTWVNORLLKBV-UHFFFAOYSA-N 0 0 311.357 0.516 50 0 DCAARN c1cc(N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)nn2nnnc12 ZINC000052314531 183858164 /nfs/dbraw/zinc/85/81/64/183858164.db2.gz YSXFBORGAOYMEV-RYUDHWBXSA-N 0 0 304.354 0.684 50 0 DCAARN COc1cc2c(cc1OC)CCN(C(=O)Cn1cncn1)CC2 ZINC000056462812 184013169 /nfs/dbraw/zinc/01/31/69/184013169.db2.gz XQWRFCUOCTZFLR-UHFFFAOYSA-N 0 0 316.361 0.923 50 0 DCAARN CN(CC(N)=O)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000056493715 184013431 /nfs/dbraw/zinc/01/34/31/184013431.db2.gz ZRMHMNVMEIDHAW-UHFFFAOYSA-N 0 0 314.271 0.598 50 0 DCAARN CCn1cnnc1CNS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000056066628 184003837 /nfs/dbraw/zinc/00/38/37/184003837.db2.gz UXVYXDBMAZXUBI-UHFFFAOYSA-N 0 0 308.363 0.979 50 0 DCAARN CCn1cnnc1CNS(=O)(=O)c1cccc(C(C)=O)c1 ZINC000056066630 184004154 /nfs/dbraw/zinc/00/41/54/184004154.db2.gz LLJTWMGELSLABD-UHFFFAOYSA-N 0 0 308.363 0.979 50 0 DCAARN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cncn1 ZINC000056272352 184008639 /nfs/dbraw/zinc/00/86/39/184008639.db2.gz PYGJPRPYLUASSL-CYBMUJFWSA-N 0 0 302.334 0.569 50 0 DCAARN O=C(c1ccc(=O)[nH]c1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000057145152 184028250 /nfs/dbraw/zinc/02/82/50/184028250.db2.gz ZKLUNIQAYORCMB-UHFFFAOYSA-N 0 0 313.361 0.932 50 0 DCAARN Cc1cc(C(=O)NCCn2ncc3c2c(C)nn3C)n(C)n1 ZINC000057279789 184031293 /nfs/dbraw/zinc/03/12/93/184031293.db2.gz ATQHAANYMBPQGW-UHFFFAOYSA-N 0 0 301.354 0.550 50 0 DCAARN CCOC(=O)c1cn(CC)nc1S(=O)(=O)N1CCCC1 ZINC000057478182 184040110 /nfs/dbraw/zinc/04/01/10/184040110.db2.gz WXKTUZLSXOSHDY-UHFFFAOYSA-N 0 0 301.368 0.864 50 0 DCAARN CNC(=O)C(=O)Nc1cc(OC)c(C(=O)OC)cc1Cl ZINC000057935797 184062620 /nfs/dbraw/zinc/06/26/20/184062620.db2.gz HGZKGUGNGUACDI-UHFFFAOYSA-N 0 0 300.698 0.820 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1cc(C)ccc1C ZINC000058190858 184086246 /nfs/dbraw/zinc/08/62/46/184086246.db2.gz GWPQPXLFFZMKNZ-UHFFFAOYSA-N 0 0 300.380 0.426 50 0 DCAARN COc1ccccc1OCC(=O)N[C@H](C)C(=O)N1CCOCC1 ZINC000058209234 184088166 /nfs/dbraw/zinc/08/81/66/184088166.db2.gz OYGMEMPTAUAFOQ-GFCCVEGCSA-N 0 0 322.361 0.438 50 0 DCAARN COc1cccc(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)c1O ZINC000058157031 184081427 /nfs/dbraw/zinc/08/14/27/184081427.db2.gz SRIDTNOZTVHEEM-QMMMGPOBSA-N 0 0 308.290 0.498 50 0 DCAARN O=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc[nH]c1=O ZINC000058357529 184108952 /nfs/dbraw/zinc/10/89/52/184108952.db2.gz IALSXQBTNOLCGD-UHFFFAOYSA-N 0 0 318.308 0.952 50 0 DCAARN Cn1c(COc2cc(Cl)ccc2C(N)=O)cc(=O)n(C)c1=O ZINC000058367462 184109199 /nfs/dbraw/zinc/10/91/99/184109199.db2.gz YICCFQQIZKVHCG-UHFFFAOYSA-N 0 0 323.736 0.415 50 0 DCAARN CC[C@H](C)C(=O)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC000058249393 184094994 /nfs/dbraw/zinc/09/49/94/184094994.db2.gz WSNNWCLWFLSOHM-QMMMGPOBSA-N 0 0 318.333 0.730 50 0 DCAARN CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccccc1 ZINC000058312803 184104064 /nfs/dbraw/zinc/10/40/64/184104064.db2.gz AXCKOQOGEQFUCO-LBPRGKRZSA-N 0 0 303.405 0.635 50 0 DCAARN O=S(=O)(Cc1ccc(F)cc1)NCCCN1CCOCC1 ZINC000058323387 184104707 /nfs/dbraw/zinc/10/47/07/184104707.db2.gz MVQHVEJQFFJWKB-UHFFFAOYSA-N 0 0 316.398 0.967 50 0 DCAARN CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC000058324232 184105371 /nfs/dbraw/zinc/10/53/71/184105371.db2.gz UGMVPNJXQOADAU-UHFFFAOYSA-N 0 0 324.406 0.502 50 0 DCAARN CC[C@@H](O)CN(Cc1cc(=O)n(C)c(=O)n1C)c1ccccc1 ZINC000058331886 184106661 /nfs/dbraw/zinc/10/66/61/184106661.db2.gz GRMQLSARMACQCT-OAHLLOKOSA-N 0 0 317.389 0.862 50 0 DCAARN Cc1nnc(NC(=O)Cn2nc3c(cc2=O)CCCC3)s1 ZINC000061717949 184185013 /nfs/dbraw/zinc/18/50/13/184185013.db2.gz JUXSAKBMFMPCSG-UHFFFAOYSA-N 0 0 305.363 0.921 50 0 DCAARN CCC(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCCNC2=O)c1 ZINC000064099208 184292419 /nfs/dbraw/zinc/29/24/19/184292419.db2.gz JQVVXTXOESQXRW-NSHDSACASA-N 0 0 305.334 0.749 50 0 DCAARN CCCn1c(=O)c2sc3ncccc3c2n(CC(N)=O)c1=O ZINC000064942290 184306569 /nfs/dbraw/zinc/30/65/69/184306569.db2.gz YLLSUEBVJNFYCA-UHFFFAOYSA-N 0 0 318.358 0.668 50 0 DCAARN CS(=O)(=O)NCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000064991663 184307984 /nfs/dbraw/zinc/30/79/84/184307984.db2.gz BUIFMBMGMBCLRN-UHFFFAOYSA-N 0 0 312.376 0.840 50 0 DCAARN CCNC(=O)c1nc(CCS(=O)(=O)c2ccccc2)no1 ZINC000065117215 184310970 /nfs/dbraw/zinc/31/09/70/184310970.db2.gz ZWJVEVHHNZTSND-UHFFFAOYSA-N 0 0 309.347 0.836 50 0 DCAARN CCOc1cc(=O)c(C(N)=O)nn1-c1ccc(OC)c(OC)c1 ZINC000065198090 184314348 /nfs/dbraw/zinc/31/43/48/184314348.db2.gz ADVCLRKZYUMTEB-UHFFFAOYSA-N 0 0 319.317 0.747 50 0 DCAARN CCn1cnnc1CCNc1nccc(N2CC[C@@H](O)C2)n1 ZINC000065384650 184333362 /nfs/dbraw/zinc/33/33/62/184333362.db2.gz WZMLIFVMJGLCRA-LLVKDONJSA-N 0 0 303.370 0.314 50 0 DCAARN CN1CCCn2nc(C(=O)NC[C@H](O)c3cccnc3)cc2C1 ZINC000065407157 184338903 /nfs/dbraw/zinc/33/89/03/184338903.db2.gz JZIGYZSDUSITSJ-HNNXBMFYSA-N 0 0 315.377 0.577 50 0 DCAARN COCCN1CCC[C@H]1CNS(=O)(=O)c1c(C)noc1C ZINC000065493783 184354156 /nfs/dbraw/zinc/35/41/56/184354156.db2.gz JVTJSAVWSYKFPE-LBPRGKRZSA-N 0 0 317.411 0.681 50 0 DCAARN COc1cc(NC[C@H]2CCCN(S(C)(=O)=O)C2)ncn1 ZINC000065436130 184344543 /nfs/dbraw/zinc/34/45/43/184344543.db2.gz QLIFATPPIKSERA-SNVBAGLBSA-N 0 0 300.384 0.569 50 0 DCAARN COC(=O)c1cc2n(n1)CCN(C(=O)[C@@H](C)N1CCCC1=O)C2 ZINC000065454734 184347186 /nfs/dbraw/zinc/34/71/86/184347186.db2.gz XEPLADIBXDVYEP-SNVBAGLBSA-N 0 0 320.349 0.023 50 0 DCAARN O=C(CN1c2ccccc2OCCC1=O)NC[C@@H]1CCOC1 ZINC000065457731 184348390 /nfs/dbraw/zinc/34/83/90/184348390.db2.gz PIPFPYDUCJNNRX-LBPRGKRZSA-N 0 0 304.346 0.955 50 0 DCAARN COCCNC(=O)CN(C)Cc1nc2ccccc2[nH]c1=O ZINC000065458189 184348447 /nfs/dbraw/zinc/34/84/47/184348447.db2.gz HPZOOMZLKGLBCV-UHFFFAOYSA-N 0 0 304.350 0.118 50 0 DCAARN NC(=O)c1cnc2n1CCN(C(=O)COc1ccccc1)C2 ZINC000065461017 184349104 /nfs/dbraw/zinc/34/91/04/184349104.db2.gz IFTGHQSYAAUKNC-UHFFFAOYSA-N 0 0 300.318 0.403 50 0 DCAARN Cc1cc(C)n2nc(C(=O)N[C@H]3CCc4nccn4C3)nc2n1 ZINC000065463169 184349586 /nfs/dbraw/zinc/34/95/86/184349586.db2.gz DDOBGYVCVRVSMU-NSHDSACASA-N 0 0 311.349 0.682 50 0 DCAARN CCN(CC)C(=O)N1CCN(CCCNS(C)(=O)=O)CC1 ZINC000065539424 184362825 /nfs/dbraw/zinc/36/28/25/184362825.db2.gz OOMYZHNZFCFZAO-UHFFFAOYSA-N 0 0 320.459 0.005 50 0 DCAARN CC(C)c1nnc2n1C[C@@H](NC(=O)CN1CSCC1=O)CC2 ZINC000065539105 184363275 /nfs/dbraw/zinc/36/32/75/184363275.db2.gz RTULNLRWEQCUGL-JTQLQIEISA-N 0 0 323.422 0.365 50 0 DCAARN CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000065575042 184367616 /nfs/dbraw/zinc/36/76/16/184367616.db2.gz BCHVLPFILJITDN-JTQLQIEISA-N 0 0 311.382 0.638 50 0 DCAARN CCNC(=O)CNC(=O)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000065623055 184374887 /nfs/dbraw/zinc/37/48/87/184374887.db2.gz VSWYDKLRHWJYSB-JTQLQIEISA-N 0 0 307.350 0.585 50 0 DCAARN CCN(C(=O)COCCOc1ccccc1)[C@H]1CC(=O)NC1=O ZINC000069464261 184517777 /nfs/dbraw/zinc/51/77/77/184517777.db2.gz SAZKYEKMORTBKZ-ZDUSSCGKSA-N 0 0 320.345 0.346 50 0 DCAARN CCNC(=O)NC(=O)CSc1nnc(N(C)C)n1C(C)C ZINC000069564799 184526260 /nfs/dbraw/zinc/52/62/60/184526260.db2.gz HWAYNCTVSJBUAX-UHFFFAOYSA-N 0 0 314.415 0.863 50 0 DCAARN CC(C)OC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000151632304 196705697 /nfs/dbraw/zinc/70/56/97/196705697.db2.gz GIOLQQYOLLWDDF-UHFFFAOYSA-N 0 0 306.366 0.857 50 0 DCAARN CCOC(=O)Cn1c(=N)sc2cc(S(N)(=O)=O)ccc21 ZINC000100968696 256566830 /nfs/dbraw/zinc/56/68/30/256566830.db2.gz ZNHNPJXIHAHVOU-UHFFFAOYSA-N 0 0 315.376 0.393 50 0 DCAARN CN(Cc1n[nH]c(=O)[n-]1)C(=O)Cc1cccc(OCC[NH3+])c1 ZINC000426712577 257243516 /nfs/dbraw/zinc/24/35/16/257243516.db2.gz FGMVQCDTNBGLOJ-UHFFFAOYSA-N 0 0 305.338 0.049 50 0 DCAARN Cc1cc2nc(CSc3nnc(C[NH3+])n3C)cc(=O)n2[n-]1 ZINC000426615103 257245532 /nfs/dbraw/zinc/24/55/32/257245532.db2.gz IUDPESYGUFVMRO-UHFFFAOYSA-N 0 0 305.367 0.211 50 0 DCAARN O=C(N[C@H]1CCCN(c2cnccn2)C1)c1cccn2cnnc12 ZINC000426581019 257246425 /nfs/dbraw/zinc/24/64/25/257246425.db2.gz MTDRUJCHGYVHJY-LBPRGKRZSA-N 0 0 323.360 0.918 50 0 DCAARN Cc1nncn1CC[N@@H+]1CCC[C@@H](c2ccn(CCO)n2)C1 ZINC000426541265 257247054 /nfs/dbraw/zinc/24/70/54/257247054.db2.gz JKOVQJDDULXKDR-CQSZACIVSA-N 0 0 304.398 0.655 50 0 DCAARN COc1cccc2c1NC(=O)C[C@H]2C(=O)NCCc1cn[nH]n1 ZINC000426510532 257247491 /nfs/dbraw/zinc/24/74/91/257247491.db2.gz YERGAWGSHFKYDU-LLVKDONJSA-N 0 0 315.333 0.598 50 0 DCAARN CSc1ncccc1C(=O)N[C@@H]1CCN(C(C)=O)C[C@H]1O ZINC000426501950 257248192 /nfs/dbraw/zinc/24/81/92/257248192.db2.gz XYWMOVYPGXMARR-VXGBXAGGSA-N 0 0 309.391 0.515 50 0 DCAARN CCC(=O)NCc1cc2n(n1)CCN(C(=O)Cn1cccc1)C2 ZINC000426490040 257248717 /nfs/dbraw/zinc/24/87/17/257248717.db2.gz IQKFHLFIXWKZSK-UHFFFAOYSA-N 0 0 315.377 0.753 50 0 DCAARN Cc1nnnn1-c1ccc(CC(=O)NCCn2cccn2)cc1 ZINC000426428684 257250165 /nfs/dbraw/zinc/25/01/65/257250165.db2.gz BYHQZYCCCFEWEQ-UHFFFAOYSA-N 0 0 311.349 0.526 50 0 DCAARN OCCNc1nc(NCC2CCOCC2)cc([C@@H]2CCOC2)n1 ZINC000426412309 257251605 /nfs/dbraw/zinc/25/16/05/257251605.db2.gz AKQHOGCAIKIURI-CYBMUJFWSA-N 0 0 322.409 0.067 50 0 DCAARN O=C(NCc1nnn[n-]1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426361877 257253045 /nfs/dbraw/zinc/25/30/45/257253045.db2.gz CKKRLUCYHAFXRL-LBPRGKRZSA-N 0 0 301.354 0.273 50 0 DCAARN Cc1nc([C@H]2CC(=O)N(C(C)C)C2)[nH]c1C(=O)N1CCOCC1 ZINC000023192816 257269156 /nfs/dbraw/zinc/26/91/56/257269156.db2.gz PMFHFTGHHKFHQL-LBPRGKRZSA-N 0 0 320.393 0.915 50 0 DCAARN Cn1cc(NC(=O)[C@@H]2CSCN2)cc(Br)c1=O ZINC000121953579 195380958 /nfs/dbraw/zinc/38/09/58/195380958.db2.gz AQVZTNPUIYZYBI-QMMMGPOBSA-N 0 0 318.196 0.749 50 0 DCAARN COCCNc1nc2nonc2nc1N1CCC[C@@H](COC)C1 ZINC000012453111 134506162 /nfs/dbraw/zinc/50/61/62/134506162.db2.gz ZMMQFBNULBMXIO-SNVBAGLBSA-N 0 0 322.369 0.934 50 0 DCAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1=NCCS1 ZINC000008231967 395684314 /nfs/dbraw/zinc/68/43/14/395684314.db2.gz NQBSXAJQGUAPNJ-UHFFFAOYSA-N 0 0 310.379 0.460 50 0 DCAARN CCOc1ccc(-n2nc(CO)c(C(=O)NC[C@H](C)O)n2)cc1 ZINC000008613630 395684818 /nfs/dbraw/zinc/68/48/18/395684818.db2.gz LZSTVCLCFQQQIE-JTQLQIEISA-N 0 0 320.349 0.269 50 0 DCAARN C[C@H](O)CN1CC2=C(C1=O)[C@@H](c1cccc(F)c1)NC(=O)N2 ZINC000008755410 395684853 /nfs/dbraw/zinc/68/48/53/395684853.db2.gz OCLSWHCROQWDJA-ISVAXAHUSA-N 0 0 305.309 0.657 50 0 DCAARN Cc1ccc(OC[C@@H](O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008852725 395685002 /nfs/dbraw/zinc/68/50/02/395685002.db2.gz PFVAYWOZNQFHPX-KGLIPLIRSA-N 0 0 313.419 0.854 50 0 DCAARN CCOCC(=O)NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000008986956 395685058 /nfs/dbraw/zinc/68/50/58/395685058.db2.gz JBJLNZXJFXHXPA-NSHDSACASA-N 0 0 320.345 0.921 50 0 DCAARN Cn1c(=O)c2c(O)c(Cc3ccccc3)c(=O)[nH]c2n(C)c1=O ZINC000008855198 395685059 /nfs/dbraw/zinc/68/50/59/395685059.db2.gz YXRFQBNSGRSULK-UHFFFAOYSA-N 0 0 313.313 0.222 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000009038116 395685139 /nfs/dbraw/zinc/68/51/39/395685139.db2.gz ZLDPIZNHRKOVPQ-NSHDSACASA-N 0 0 300.355 0.723 50 0 DCAARN CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000009092691 395685222 /nfs/dbraw/zinc/68/52/22/395685222.db2.gz UTAUAYIEPPCBFD-HNNXBMFYSA-N 0 0 319.317 0.318 50 0 DCAARN COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)NC[C@H](C)O ZINC000009304914 395685262 /nfs/dbraw/zinc/68/52/62/395685262.db2.gz NOYAYOFJZJCPCK-LURJTMIESA-N 0 0 314.363 0.587 50 0 DCAARN COc1ccc(-n2c([O-])c(C=O)c(-[n+]3ccccc3)nc2=O)cc1 ZINC000009358583 395685332 /nfs/dbraw/zinc/68/53/32/395685332.db2.gz YZZHFRAXMNNDPU-UHFFFAOYSA-O 0 0 324.316 0.624 50 0 DCAARN O=C(Cn1cnc2ccc(Cl)cc2c1=O)N1CCNC(=O)C1 ZINC000010569122 395686160 /nfs/dbraw/zinc/68/61/60/395686160.db2.gz JOTMPLJRDLNZBP-UHFFFAOYSA-N 0 0 320.736 0.008 50 0 DCAARN COc1ccc(OC)c(NC(=O)CCn2ccc(=O)[nH]c2=O)c1 ZINC000011905181 395686997 /nfs/dbraw/zinc/68/69/97/395686997.db2.gz QSKSCWUJYIEOOI-UHFFFAOYSA-N 0 0 319.317 0.583 50 0 DCAARN CCN(CCCNc1nn(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000012549744 395687738 /nfs/dbraw/zinc/68/77/38/395687738.db2.gz HRMCTEPUBTYSRQ-UHFFFAOYSA-N 0 0 317.393 0.808 50 0 DCAARN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc(F)c1 ZINC000012929167 395688137 /nfs/dbraw/zinc/68/81/37/395688137.db2.gz DUQOESVZIQNNGX-ZDUSSCGKSA-N 0 0 314.382 0.561 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)N1CCN(c2ccccc2)CC1 ZINC000013097149 395688479 /nfs/dbraw/zinc/68/84/79/395688479.db2.gz GYKPTYVBUHPMNZ-CYBMUJFWSA-N 0 0 316.361 0.323 50 0 DCAARN Nc1n[nH]c(SCC(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000013496975 395688542 /nfs/dbraw/zinc/68/85/42/395688542.db2.gz HXWRXGRMOXKZRG-UHFFFAOYSA-N 0 0 307.335 0.524 50 0 DCAARN CCn1nnc2c1ncnc2N1CCN(C(=O)C(C)C)CC1 ZINC000013532954 395688672 /nfs/dbraw/zinc/68/86/72/395688672.db2.gz BZOOZJUCJYPHDY-UHFFFAOYSA-N 0 0 303.370 0.546 50 0 DCAARN COCCCn1c(C)c(C)n2c1nc1c2c(=O)[nH]c(=O)n1C ZINC000013591591 395688710 /nfs/dbraw/zinc/68/87/10/395688710.db2.gz ICZNSAQUSCBWSA-UHFFFAOYSA-N 0 0 305.338 0.329 50 0 DCAARN C[C@@H]1CN(C(=O)CSc2ncnc3c2nnn3C)C[C@@H](C)O1 ZINC000013531917 395688722 /nfs/dbraw/zinc/68/87/22/395688722.db2.gz KPKGHURUTGOBRX-RKDXNWHRSA-N 0 0 322.394 0.486 50 0 DCAARN COC(=O)c1ccc(C(=O)NCc2nnc3n2CCC3)cc1 ZINC000014108717 395689110 /nfs/dbraw/zinc/68/91/10/395689110.db2.gz YUHPESJHEOCTRG-UHFFFAOYSA-N 0 0 300.318 0.941 50 0 DCAARN COc1ccccc1OCCC(=O)OCc1nc(N)nc(N)n1 ZINC000014248473 395689498 /nfs/dbraw/zinc/68/94/98/395689498.db2.gz XVLYDERQLFXDRB-UHFFFAOYSA-N 0 0 319.321 0.557 50 0 DCAARN O=C(CN1CCOC1=O)N1CCN(c2ccccc2F)CC1 ZINC000019221359 395691034 /nfs/dbraw/zinc/69/10/34/395691034.db2.gz SRNSYRAVMYNCFW-UHFFFAOYSA-N 0 0 307.325 0.927 50 0 DCAARN Cn1ncc2c1ncnc2N1CCN(C(=O)c2ccncc2)CC1 ZINC000024030425 395692755 /nfs/dbraw/zinc/69/27/55/395692755.db2.gz SPSWCZYIOTVJMJ-UHFFFAOYSA-N 0 0 323.360 0.721 50 0 DCAARN CCC(=O)Nc1ccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 ZINC000000070144 395679743 /nfs/dbraw/zinc/67/97/43/395679743.db2.gz YRDWUBKJEMRPLC-UHFFFAOYSA-N 0 0 302.290 0.664 50 0 DCAARN NC(=O)CN1c2ccccc2[C@](O)(CC(=O)c2ccccc2)C1=O ZINC000000089288 395679805 /nfs/dbraw/zinc/67/98/05/395679805.db2.gz WVPHFLSDQXLLGS-GOSISDBHSA-N 0 0 324.336 0.979 50 0 DCAARN CCOC(=O)[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000000180695 395679897 /nfs/dbraw/zinc/67/98/97/395679897.db2.gz HYDVAPHMLCRQFE-ZCFIWIBFSA-N 0 0 312.351 0.004 50 0 DCAARN O=C1CCC(=O)N1Cc1cccc(CN2C(=O)CCC2=O)c1 ZINC000000138824 395680002 /nfs/dbraw/zinc/68/00/02/395680002.db2.gz MCFNKZSWPBVDIY-UHFFFAOYSA-N 0 0 300.314 0.985 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NC1CCCCCC1 ZINC000000264696 395680148 /nfs/dbraw/zinc/68/01/48/395680148.db2.gz RZEYUCWBYHWRTD-UHFFFAOYSA-N 0 0 301.368 0.373 50 0 DCAARN CN1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)CC1 ZINC000000381677 395680303 /nfs/dbraw/zinc/68/03/03/395680303.db2.gz LWBZVRUFDRCWEP-UHFFFAOYSA-N 0 0 303.406 0.906 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@]2(C)NN1 ZINC000000382333 395680371 /nfs/dbraw/zinc/68/03/71/395680371.db2.gz MJVRDYGXWVKTPB-YMTOWFKASA-N 0 0 321.720 0.720 50 0 DCAARN O=C(NC1CCC(NC(=O)[C@H]2CCCO2)CC1)[C@H]1CCCO1 ZINC000000376062 395680372 /nfs/dbraw/zinc/68/03/72/395680372.db2.gz NGJSKOHPBMYWQM-NWINJMCUSA-N 0 0 310.394 0.888 50 0 DCAARN CCOC(=O)c1cnc(SCC(=O)N2CCCC2)nc1N ZINC000000419235 395680397 /nfs/dbraw/zinc/68/03/97/395680397.db2.gz IRDCJISOIKKDHH-UHFFFAOYSA-N 0 0 310.379 0.950 50 0 DCAARN Cc1cccc(N(C)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000000423293 395680449 /nfs/dbraw/zinc/68/04/49/395680449.db2.gz COEDHZSAVVCCFE-UHFFFAOYSA-N 0 0 309.347 0.505 50 0 DCAARN COC(=O)/C=C1\S[C@@H](NC(=O)c2ccc(OC)cc2)NC1=O ZINC000000502478 395680471 /nfs/dbraw/zinc/68/04/71/395680471.db2.gz RZMROEBTVUHLIQ-YHAOYDPOSA-N 0 0 322.342 0.629 50 0 DCAARN Cc1ccc(Nc2nc3c(c(=O)[nH]c(=O)n3C)n2CCO)cc1 ZINC000000537305 395680501 /nfs/dbraw/zinc/68/05/01/395680501.db2.gz NZAJBIIFNPMZAA-UHFFFAOYSA-N 0 0 315.333 0.468 50 0 DCAARN Cn1cc(Cl)c(C(=O)N2CCN(c3ncccn3)CC2)n1 ZINC000000800699 395680629 /nfs/dbraw/zinc/68/06/29/395680629.db2.gz GBJXIASPLYKFAF-UHFFFAOYSA-N 0 0 306.757 0.826 50 0 DCAARN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000000983025 395680673 /nfs/dbraw/zinc/68/06/73/395680673.db2.gz CXOVEXPVEBFQNK-UHFFFAOYSA-N 0 0 318.782 0.477 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCCC[C@@H]([NH3+])C(=O)[O-])cc1 ZINC000001644612 395681067 /nfs/dbraw/zinc/68/10/67/395681067.db2.gz FRJAAXSHLGSWAP-GFCCVEGCSA-N 0 0 300.380 0.856 50 0 DCAARN CCCCCn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002025810 395681312 /nfs/dbraw/zinc/68/13/12/395681312.db2.gz CTTMIPXAJCUCQS-UHFFFAOYSA-N 0 0 321.381 0.450 50 0 DCAARN CCCS(=O)(=O)N1CCC(C(=O)NCCCOC)CC1 ZINC000003008234 395682051 /nfs/dbraw/zinc/68/20/51/395682051.db2.gz XNVRFJFYBUJMJB-UHFFFAOYSA-N 0 0 306.428 0.591 50 0 DCAARN Cn1c(N)c(C(=O)CSc2ccccn2)c(=O)n(C)c1=O ZINC000003234907 395682374 /nfs/dbraw/zinc/68/23/74/395682374.db2.gz UWXHGWIWBWQJNU-UHFFFAOYSA-N 0 0 306.347 0.036 50 0 DCAARN Cc1nn(-c2nnc(NCCO)nn2)c(C)c1Br ZINC000006184349 395682936 /nfs/dbraw/zinc/68/29/36/395682936.db2.gz JHDUMOUUTKFOJY-UHFFFAOYSA-N 0 0 314.147 0.236 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCSCC2)C1 ZINC000006744320 395683051 /nfs/dbraw/zinc/68/30/51/395683051.db2.gz VPXZJXREFAKSOO-LLVKDONJSA-N 0 0 306.453 0.624 50 0 DCAARN Cc1c(C(=O)NCc2ccnc(N3CCOCC3)c2)cnn1C ZINC000025759806 395693698 /nfs/dbraw/zinc/69/36/98/395693698.db2.gz NAMCGFAXONWFFM-UHFFFAOYSA-N 0 0 315.377 0.890 50 0 DCAARN Cn1c2ncn(CC(=O)c3ccc(F)cc3)c2c(=O)[nH]c1=O ZINC000008048426 395683888 /nfs/dbraw/zinc/68/38/88/395683888.db2.gz DQMGZICRASDYQS-UHFFFAOYSA-N 0 0 302.265 0.445 50 0 DCAARN CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)c2ccccc2)C1=O ZINC000008036330 395683894 /nfs/dbraw/zinc/68/38/94/395683894.db2.gz MWCJGYJQENILCP-LLVKDONJSA-N 0 0 324.358 0.224 50 0 DCAARN O=C(CN1CCN(C[C@H](O)c2ccco2)CC1)NC1CCCC1 ZINC000085436884 395700633 /nfs/dbraw/zinc/70/06/33/395700633.db2.gz QWSDYYYZLDSRDZ-HNNXBMFYSA-N 0 0 321.421 0.989 50 0 DCAARN O=C(N[C@@H]1C[C@@H](O)[C@@H](CO)C1)c1ccc(Br)o1 ZINC000085469116 395700815 /nfs/dbraw/zinc/70/08/15/395700815.db2.gz URESZLFAHVMLPI-GJMOJQLCSA-N 0 0 304.140 0.904 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)CCc2cccnc2)CC1 ZINC000029993212 395701437 /nfs/dbraw/zinc/70/14/37/395701437.db2.gz MMLYIQLZSBPUQV-UHFFFAOYSA-N 0 0 311.407 0.554 50 0 DCAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)NC(N)=O ZINC000030004340 395701598 /nfs/dbraw/zinc/70/15/98/395701598.db2.gz OKBQLUWKFLPCRA-SECBINFHSA-N 0 0 313.379 0.278 50 0 DCAARN COc1nn(C)cc1C(=O)N1CCC(Oc2cnccn2)CC1 ZINC000085557264 395701663 /nfs/dbraw/zinc/70/16/63/395701663.db2.gz YACYVUAJIVKLRR-UHFFFAOYSA-N 0 0 317.349 0.902 50 0 DCAARN Cc1cccc(OCCNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031034944 395705199 /nfs/dbraw/zinc/70/51/99/395705199.db2.gz YUWWNAXFOGQFIO-GFCCVEGCSA-N 0 0 312.391 0.860 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)[C@H]3CCN(C)C(=O)C3)CCO2)[nH]1 ZINC000089289713 395709473 /nfs/dbraw/zinc/70/94/73/395709473.db2.gz FTKHPXJUPDRHAI-WDEREUQCSA-N 0 0 321.381 0.135 50 0 DCAARN C[NH+](C)CCN(CC(=O)[O-])C(=O)CCNC(=O)c1ccccc1 ZINC000089314271 395709948 /nfs/dbraw/zinc/70/99/48/395709948.db2.gz LAHYNTOXUQXNHG-UHFFFAOYSA-N 0 0 321.377 0.281 50 0 DCAARN CN(C)c1nc(N)nc(Cn2nc(C(F)(F)F)ccc2=O)n1 ZINC000089326866 395710071 /nfs/dbraw/zinc/71/00/71/395710071.db2.gz UGNANBFKEMNRLX-UHFFFAOYSA-N 0 0 315.259 0.144 50 0 DCAARN CN(Cc1ccc(F)cc1Cl)C(=O)CNS(C)(=O)=O ZINC000089356198 395710634 /nfs/dbraw/zinc/71/06/34/395710634.db2.gz KUFXYDGTMMELLT-UHFFFAOYSA-N 0 0 308.762 0.987 50 0 DCAARN COc1ccc(CC(=O)N2CCC(C(N)=O)CC2)c(OC)c1 ZINC000032518730 395711208 /nfs/dbraw/zinc/71/12/08/395711208.db2.gz CMWATDXGSVIIBP-UHFFFAOYSA-N 0 0 306.362 0.970 50 0 DCAARN Cc1cc(C)nc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000032611326 395711463 /nfs/dbraw/zinc/71/14/63/395711463.db2.gz QSOZJGAWJKPHJK-LLVKDONJSA-N 0 0 312.395 0.704 50 0 DCAARN CC(C)N1CCNC(=O)[C@H]1Cc1nc(-c2cccnc2)no1 ZINC000032590474 395711617 /nfs/dbraw/zinc/71/16/17/395711617.db2.gz SGCBBDCNBCIBRM-GFCCVEGCSA-N 0 0 301.350 0.883 50 0 DCAARN O=C(CN1CCN(C(=O)c2ccccn2)CC1)N1CCCC1 ZINC000032731554 395712855 /nfs/dbraw/zinc/71/28/55/395712855.db2.gz KBANLLOCNLGECN-UHFFFAOYSA-N 0 0 302.378 0.462 50 0 DCAARN COC(=O)c1cc(NCC(=O)N2CCNC2=O)c(F)cc1F ZINC000032788538 395713243 /nfs/dbraw/zinc/71/32/43/395713243.db2.gz AMXRMAHKUKAVEG-UHFFFAOYSA-N 0 0 313.260 0.715 50 0 DCAARN Cn1c(=O)c2ccc(C(=O)NC3CCCCC3)nc2n(C)c1=O ZINC000032778275 395713307 /nfs/dbraw/zinc/71/33/07/395713307.db2.gz YOHRZOHIWHWGPF-UHFFFAOYSA-N 0 0 316.361 0.695 50 0 DCAARN Cc1ccc(CC(=O)N2CCN([C@@H]3CCNC3=O)CC2)cc1 ZINC000089632176 395713667 /nfs/dbraw/zinc/71/36/67/395713667.db2.gz ANMARJAOIVQAFS-OAHLLOKOSA-N 0 0 301.390 0.570 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)Nc2ncccc2O)cc1 ZINC000032845116 395714071 /nfs/dbraw/zinc/71/40/71/395714071.db2.gz BSYGLQQMOVKIPA-UHFFFAOYSA-N 0 0 307.331 0.948 50 0 DCAARN CC(=O)N(Cc1ncc(C)o1)[C@H]1CCN([C@@H]2CCOC2=O)C1 ZINC000089702316 395714238 /nfs/dbraw/zinc/71/42/38/395714238.db2.gz FOBCNVOUWSVQMH-QWHCGFSZSA-N 0 0 307.350 0.721 50 0 DCAARN COC(=O)c1cc(NC(=O)[C@@H](C)S(C)(=O)=O)ccc1F ZINC000032926200 395714794 /nfs/dbraw/zinc/71/47/94/395714794.db2.gz OGOCNLPPZUZDAL-SSDOTTSWSA-N 0 0 303.311 0.984 50 0 DCAARN Cn1c(=O)ccn(CC(=O)N2CCC[C@@H]2c2ccncc2)c1=O ZINC000032954952 395715186 /nfs/dbraw/zinc/71/51/86/395715186.db2.gz WGQCWMURJRKYFL-CYBMUJFWSA-N 0 0 314.345 0.306 50 0 DCAARN C[C@@H](NC(=O)[C@H]1CN(C)CCO1)c1cn(-c2ccccc2)nn1 ZINC000089913491 395716451 /nfs/dbraw/zinc/71/64/51/395716451.db2.gz KZVOYXSUSWGJKL-IUODEOHRSA-N 0 0 315.377 0.775 50 0 DCAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000033162623 395716500 /nfs/dbraw/zinc/71/65/00/395716500.db2.gz VJRXKTCSWKCTKI-LLVKDONJSA-N 0 0 319.336 0.906 50 0 DCAARN C[C@@H]1CN(C)CCN1C(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000089937827 395716852 /nfs/dbraw/zinc/71/68/52/395716852.db2.gz NOAPFZALBRECLN-UKRRQHHQSA-N 0 0 314.393 0.619 50 0 DCAARN C[C@H]1CN(C)CCN1C(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000089937828 395717025 /nfs/dbraw/zinc/71/70/25/395717025.db2.gz NOAPFZALBRECLN-DZGCQCFKSA-N 0 0 314.393 0.619 50 0 DCAARN C[C@H]1CN(C)CCN1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000089937843 395717104 /nfs/dbraw/zinc/71/71/04/395717104.db2.gz ZQRCBRVDZDVERT-QWHCGFSZSA-N 0 0 305.378 0.791 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CC(C)(C)OC2=O)C[C@H](C)O1 ZINC000089936739 395717226 /nfs/dbraw/zinc/71/72/26/395717226.db2.gz LTLDNSBTWNHVOW-KXUCPTDWSA-N 0 0 306.384 0.024 50 0 DCAARN C[C@H]1CN(C)CCN1C(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000089937869 395717313 /nfs/dbraw/zinc/71/73/13/395717313.db2.gz QZTKECFGRSZEQT-UONOGXRCSA-N 0 0 303.410 0.856 50 0 DCAARN O=C1C2=C(CN1CCCO)NC(=O)N[C@@H]2c1ccc(F)cc1 ZINC000035590229 395720748 /nfs/dbraw/zinc/72/07/48/395720748.db2.gz BBBJDTHYYRXTGI-CYBMUJFWSA-N 0 0 305.309 0.658 50 0 DCAARN CCCCn1c2nn(CC(N)=O)c(=O)n2c2ccsc2c1=O ZINC000035514524 395720886 /nfs/dbraw/zinc/72/08/86/395720886.db2.gz DFIYYVMJBQSXPB-UHFFFAOYSA-N 0 0 321.362 0.158 50 0 DCAARN COCCCNC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O ZINC000036589871 395723409 /nfs/dbraw/zinc/72/34/09/395723409.db2.gz QDFGLXJHMQHONM-CYBMUJFWSA-N 0 0 319.361 0.670 50 0 DCAARN C[C@@H]1CN(CCOc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000028125593 395695859 /nfs/dbraw/zinc/69/58/59/395695859.db2.gz BJDOFLPSOXXUDK-LLVKDONJSA-N 0 0 300.380 0.434 50 0 DCAARN CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000028277808 395695965 /nfs/dbraw/zinc/69/59/65/395695965.db2.gz SFEHLYWUBVGMIP-BQYQJAHWSA-N 0 0 320.301 0.387 50 0 DCAARN CC(C)NC(=O)Cn1nnc2cc3c(cc2c1=O)OCCO3 ZINC000028560240 395696040 /nfs/dbraw/zinc/69/60/40/395696040.db2.gz DEIQSWVQMMDETO-UHFFFAOYSA-N 0 0 304.306 0.087 50 0 DCAARN COc1ccc(OC)c(NS(=O)(=O)N2CCOCC2)c1 ZINC000028580445 395696101 /nfs/dbraw/zinc/69/61/01/395696101.db2.gz WFOIRMDDEZYNEI-UHFFFAOYSA-N 0 0 302.352 0.693 50 0 DCAARN O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCNC(=O)C1 ZINC000028630585 395696241 /nfs/dbraw/zinc/69/62/41/395696241.db2.gz NTCQBECEIQARTA-AWEZNQCLSA-N 0 0 304.346 0.816 50 0 DCAARN CCN(CC(=O)NC)C(=O)CCN1C(=O)COc2ccccc21 ZINC000040539464 395734096 /nfs/dbraw/zinc/73/40/96/395734096.db2.gz TWRQVBSMCJTWOB-UHFFFAOYSA-N 0 0 319.361 0.397 50 0 DCAARN Cc1nc2cc(C)ccn2c1C(=O)N1CC[C@@](C)(O)[C@@H](O)C1 ZINC000096161298 395746624 /nfs/dbraw/zinc/74/66/24/395746624.db2.gz TYMZQEBNPAOAKQ-BLLLJJGKSA-N 0 0 303.362 0.909 50 0 DCAARN O=C(COCc1nc(-c2ccncc2)no1)N1CCOCC1 ZINC000096182030 395747126 /nfs/dbraw/zinc/74/71/26/395747126.db2.gz VGFLVDXEWHDLIJ-UHFFFAOYSA-N 0 0 304.306 0.507 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@@]1(C)CC(c2ccccc2F)=NO1 ZINC000096192480 395748407 /nfs/dbraw/zinc/74/84/07/395748407.db2.gz XSZLFZSYOFSECL-OAHLLOKOSA-N 0 0 307.325 0.913 50 0 DCAARN Cn1ncc2cc(NC(=O)N3CCO[C@H](C(N)=O)C3)ccc21 ZINC000096141973 395746114 /nfs/dbraw/zinc/74/61/14/395746114.db2.gz UIZSKHLMQBQTHO-LBPRGKRZSA-N 0 0 303.322 0.291 50 0 DCAARN NC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(F)c1F ZINC000096428529 395753234 /nfs/dbraw/zinc/75/32/34/395753234.db2.gz QCKFYONHOTZIEV-APPZFPTMSA-N 0 0 304.318 0.897 50 0 DCAARN Cc1nc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)sc1C ZINC000096427034 395753367 /nfs/dbraw/zinc/75/33/67/395753367.db2.gz OOXLOXZERWTGKS-UHFFFAOYSA-N 0 0 305.363 0.555 50 0 DCAARN C[C@@H]1C[C@H]1C(=O)N1CCN(CC(=O)Nc2ccncc2)CC1 ZINC000096443482 395753422 /nfs/dbraw/zinc/75/34/22/395753422.db2.gz HDPSLRGLKFZSJT-TZMCWYRMSA-N 0 0 302.378 0.820 50 0 DCAARN Cn1cc([C@](C)(O)CNC(=O)[C@H]2Cc3cc(F)ccc3O2)cn1 ZINC000096437412 395753457 /nfs/dbraw/zinc/75/34/57/395753457.db2.gz BLORXBKFDBNSCX-GDBMZVCRSA-N 0 0 319.336 0.887 50 0 DCAARN CS[C@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000044069095 395755383 /nfs/dbraw/zinc/75/53/83/395755383.db2.gz JOLBZRHXWOHZNS-MCNNAKBESA-N 0 0 320.363 0.889 50 0 DCAARN Cn1nc(C(=O)N[C@H]2CCc3nccn3C2)c2ccccc2c1=O ZINC000097197703 395755612 /nfs/dbraw/zinc/75/56/12/395755612.db2.gz GUPQSGYCLOZDTB-NSHDSACASA-N 0 0 323.356 0.875 50 0 DCAARN O=C(CCc1nnc2ccccn2c1=O)NCCc1ccccn1 ZINC000096231485 395750796 /nfs/dbraw/zinc/75/07/96/395750796.db2.gz CAUAMFWRNDVUTD-UHFFFAOYSA-N 0 0 323.356 0.776 50 0 DCAARN COCCN1C(=O)C(=C(C)Nc2cccnc2)C(=O)NC1=S ZINC000105209950 395779826 /nfs/dbraw/zinc/77/98/26/395779826.db2.gz LVCDHLZUVPZRDD-PKNBQFBNSA-N 0 0 320.374 0.657 50 0 DCAARN CCn1cnnc1CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000047020934 395785910 /nfs/dbraw/zinc/78/59/10/395785910.db2.gz FGCMWYTUOBPUDV-NSHDSACASA-N 0 0 317.349 0.556 50 0 DCAARN C/C=C/C[N@@H+]1CCN(c2nc(C(N)=O)cs2)C[C@H](C(=O)[O-])C1 ZINC000097522619 395758455 /nfs/dbraw/zinc/75/84/55/395758455.db2.gz XSMVDKZBHKLSME-VMZHVLLKSA-N 0 0 324.406 0.641 50 0 DCAARN CCOC(=O)N1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1 ZINC000097654084 395759727 /nfs/dbraw/zinc/75/97/27/395759727.db2.gz YKDSKVSAGUTQKS-UHFFFAOYSA-N 0 0 320.349 0.562 50 0 DCAARN O=C(CN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O)N1CCOCC1 ZINC000100509129 395763245 /nfs/dbraw/zinc/76/32/45/395763245.db2.gz PLHCDBTUOCTQFG-QWRGUYRKSA-N 0 0 312.753 0.363 50 0 DCAARN CC(=O)N1CCN(CCNC(=O)Cc2c(C)noc2C)CC1 ZINC000045852824 395767331 /nfs/dbraw/zinc/76/73/31/395767331.db2.gz QXZHKZIRVIVMNE-UHFFFAOYSA-N 0 0 308.382 0.114 50 0 DCAARN Cc1cccc(=O)n1CCC(=O)NCC1=CSC2=NCCN12 ZINC000102622350 395770822 /nfs/dbraw/zinc/77/08/22/395770822.db2.gz TTWMVGSDQAYMIU-UHFFFAOYSA-N 0 0 318.402 0.923 50 0 DCAARN CN1C[C@H](C(=O)NCCc2ccc3c(c2)OCCO3)CC1=O ZINC000046141790 395771142 /nfs/dbraw/zinc/77/11/42/395771142.db2.gz UOZZWZTXPUVDOC-GFCCVEGCSA-N 0 0 304.346 0.595 50 0 DCAARN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCO[C@@H](C)C1 ZINC000103505205 395774121 /nfs/dbraw/zinc/77/41/21/395774121.db2.gz FNTAFAAVKJGXIU-VHSXEESVSA-N 0 0 304.350 0.904 50 0 DCAARN C[C@H]1Cc2ccccc2N1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000108483541 395789655 /nfs/dbraw/zinc/78/96/55/395789655.db2.gz UVTDQDTYCDZIRZ-JQWIXIFHSA-N 0 0 316.361 0.152 50 0 DCAARN C[C@H](Oc1ccccc1)C(=O)NCC1(C(N)=O)CCOCC1 ZINC000047931027 395803035 /nfs/dbraw/zinc/80/30/35/395803035.db2.gz XOLKUXLRUJOQOO-LBPRGKRZSA-N 0 0 306.362 0.852 50 0 DCAARN Cc1ccc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000048007417 395805425 /nfs/dbraw/zinc/80/54/25/395805425.db2.gz NGSPTJDGRJMVSF-UHFFFAOYSA-N 0 0 301.390 0.918 50 0 DCAARN O=C(CN1C(=O)COc2ccccc21)NCCn1ccnc1 ZINC000048234900 395811374 /nfs/dbraw/zinc/81/13/74/395811374.db2.gz PFRMFEMCDIQSRY-UHFFFAOYSA-N 0 0 300.318 0.425 50 0 DCAARN O=C(CCn1cncn1)N1CCN(Cc2cccnc2)CC1 ZINC000048355796 395813931 /nfs/dbraw/zinc/81/39/31/395813931.db2.gz YTVWIPHLLBZOJJ-UHFFFAOYSA-N 0 0 300.366 0.408 50 0 DCAARN O=C(c1[nH]nc(C2CC2)c1Br)N1CCNC(=O)C1 ZINC000049157316 395828512 /nfs/dbraw/zinc/82/85/12/395828512.db2.gz XMJVYYMITNLYQO-UHFFFAOYSA-N 0 0 313.155 0.622 50 0 DCAARN COc1cccc(CNC(=O)Cn2c(N)nc(C)c(C)c2=O)c1 ZINC000049411033 395832084 /nfs/dbraw/zinc/83/20/84/395832084.db2.gz HOOAWHRAAMXXPI-UHFFFAOYSA-N 0 0 316.361 0.767 50 0 DCAARN CCCCN(CC(N)=O)C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000049743919 395834036 /nfs/dbraw/zinc/83/40/36/395834036.db2.gz QCGXWFIHDRPFHN-UHFFFAOYSA-N 0 0 316.365 0.454 50 0 DCAARN Cc1cc(N)n(CC(=O)N[C@@H]2CCCN(c3cnccn3)C2)n1 ZINC000214955644 395836917 /nfs/dbraw/zinc/83/69/17/395836917.db2.gz ADQXIROQRDMMDJ-GFCCVEGCSA-N 0 0 315.381 0.349 50 0 DCAARN CCCNC(=O)CCNC(=O)NCC(=O)Nc1ccccc1 ZINC000050168745 395837495 /nfs/dbraw/zinc/83/74/95/395837495.db2.gz MANLUQSZMHURIQ-UHFFFAOYSA-N 0 0 306.366 0.841 50 0 DCAARN NC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000225477413 395860528 /nfs/dbraw/zinc/86/05/28/395860528.db2.gz IRPISAWSOIOXSS-LLVKDONJSA-N 0 0 314.349 0.997 50 0 DCAARN Cc1cc(F)ccc1CC(=O)N[C@@H]1CCOC[C@H]1OCCO ZINC000219026511 395843946 /nfs/dbraw/zinc/84/39/46/395843946.db2.gz MNRMFMOJBMECFX-HUUCEWRRSA-N 0 0 311.353 0.959 50 0 DCAARN O=C(Cn1cccnc1=O)N[C@H]1[C@@H](C2CCCC2)[C@H]2OCC[C@@H]12 ZINC000219772939 395846279 /nfs/dbraw/zinc/84/62/79/395846279.db2.gz WLRWOYCBCLZPIE-XZDPQHSOSA-N 0 0 317.389 0.953 50 0 DCAARN Cc1ccc(OCC(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000116835469 395847929 /nfs/dbraw/zinc/84/79/29/395847929.db2.gz LZQLCDHXKSNWKH-LBPRGKRZSA-N 0 0 312.391 0.524 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CCC[C@@H](Oc3cccnn3)C2)c1 ZINC000225458576 395860951 /nfs/dbraw/zinc/86/09/51/395860951.db2.gz IONVQCKBTLBNHK-LLVKDONJSA-N 0 0 323.378 0.442 50 0 DCAARN CC[C@H](O)c1cc2n(n1)CCCN(C(=O)CN1CCOCC1)C2 ZINC000222474304 395852858 /nfs/dbraw/zinc/85/28/58/395852858.db2.gz XIPKBRVBIWEAFV-HNNXBMFYSA-N 0 0 322.409 0.391 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)NCc2ccc(Cl)s2)CCO1 ZINC000051687662 395853442 /nfs/dbraw/zinc/85/34/42/395853442.db2.gz DWIODRDLDKAMRF-QMMMGPOBSA-N 0 0 303.771 0.797 50 0 DCAARN COCc1noc(CCNC(=O)[C@H]2Cc3ccccc3O2)n1 ZINC000222854180 395853554 /nfs/dbraw/zinc/85/35/54/395853554.db2.gz VLYDYOBGXVNCKU-GFCCVEGCSA-N 0 0 303.318 0.878 50 0 DCAARN CSc1ncc(C(=O)NCCNc2nc(C)cc(=O)[nH]2)cn1 ZINC000223161794 395854035 /nfs/dbraw/zinc/85/40/35/395854035.db2.gz LLXAFJNFKWONDF-UHFFFAOYSA-N 0 0 320.378 0.432 50 0 DCAARN CNC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000223274746 395854350 /nfs/dbraw/zinc/85/43/50/395854350.db2.gz VXOFDCHXJYJMTG-UHFFFAOYSA-N 0 0 324.358 0.883 50 0 DCAARN CN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1CCC(=O)NC1 ZINC000047700562 395800605 /nfs/dbraw/zinc/80/06/05/395800605.db2.gz FWNDHLFVFIAAOK-NEPJUHHUSA-N 0 0 304.346 0.811 50 0 DCAARN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCN(c2nccs2)CC1 ZINC000054620886 395903595 /nfs/dbraw/zinc/90/35/95/395903595.db2.gz XOLMBBSQYNTWHH-OLZOCXBDSA-N 0 0 324.450 0.949 50 0 DCAARN CC(=O)N1CCC(C(=O)N[C@H](C(N)=O)c2ccccc2)CC1 ZINC000054691936 395904518 /nfs/dbraw/zinc/90/45/18/395904518.db2.gz FMCRGXTYXRLVTH-AWEZNQCLSA-N 0 0 303.362 0.588 50 0 DCAARN Cc1noc([C@H]2CCCN([C@@H](C)C(=O)N3CCOCC3)C2)n1 ZINC000054677348 395904967 /nfs/dbraw/zinc/90/49/67/395904967.db2.gz VSLXECMFJVIODN-AAEUAGOBSA-N 0 0 308.382 0.805 50 0 DCAARN CCCN1C[C@H](NC(=O)CCC(=O)NC2CCCC2)CC1=O ZINC000055281818 395915746 /nfs/dbraw/zinc/91/57/46/395915746.db2.gz HOYFBWUCKIXNMR-CYBMUJFWSA-N 0 0 309.410 0.953 50 0 DCAARN CCN(Cc1nc(COC)no1)C(=O)CCN1CCCCO1 ZINC000055283813 395916101 /nfs/dbraw/zinc/91/61/01/395916101.db2.gz ZAUVLTBJTQDAGI-UHFFFAOYSA-N 0 0 312.370 0.982 50 0 DCAARN NC(=O)[C@H](NC(=O)CN1CCCCCC1=O)c1ccccc1 ZINC000055312191 395916645 /nfs/dbraw/zinc/91/66/45/395916645.db2.gz QQCKAIQTCGGXEV-OAHLLOKOSA-N 0 0 303.362 0.732 50 0 DCAARN COc1ccnc(CN2CCN(c3cnn(C)c(=O)c3)CC2)c1 ZINC000244852600 395925126 /nfs/dbraw/zinc/92/51/26/395925126.db2.gz UVMBOOXGFUXXNO-UHFFFAOYSA-N 0 0 315.377 0.506 50 0 DCAARN Nc1nc(NCC[NH+]2CCC(O)CC2)cc([C@H]2C[C@@H](O)C2)n1 ZINC000244899702 395925835 /nfs/dbraw/zinc/92/58/35/395925835.db2.gz ZOJIRQQMBFXCIU-KLPPZKSPSA-N 0 0 307.398 0.166 50 0 DCAARN C[C@H](NC(=O)CCn1cncn1)c1nc(-c2ccncc2)no1 ZINC000244872826 395926042 /nfs/dbraw/zinc/92/60/42/395926042.db2.gz WFCKQJQEWNTPKI-JTQLQIEISA-N 0 0 313.321 0.991 50 0 DCAARN CCO[C@H]1COC[C@@H]1NC(=O)CN1CCc2ccccc2C1 ZINC000244900144 395926516 /nfs/dbraw/zinc/92/65/16/395926516.db2.gz ZWUXMQDAMLTBBA-HOTGVXAUSA-N 0 0 304.390 0.965 50 0 DCAARN Cc1cc(=O)n(CC(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)cn1 ZINC000244933135 395926940 /nfs/dbraw/zinc/92/69/40/395926940.db2.gz CCWQNFPFSYIRHE-JHJVBQTASA-N 0 0 307.350 0.004 50 0 DCAARN NC(=O)[C@H]1CCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000052393412 395862363 /nfs/dbraw/zinc/86/23/63/395862363.db2.gz SBPFXYNLGILGOI-LURJTMIESA-N 0 0 300.244 0.455 50 0 DCAARN NC(=O)[C@@]1(O)CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000225556601 395862466 /nfs/dbraw/zinc/86/24/66/395862466.db2.gz XWRNJZKUGAUGBM-OAHLLOKOSA-N 0 0 308.765 0.820 50 0 DCAARN CCn1ncnc1CNC(=O)N1C[C@@H](C)[C@](C)(C(=O)OC)C1 ZINC000225702363 395862503 /nfs/dbraw/zinc/86/25/03/395862503.db2.gz JFUYLEKMDNFSQX-QMTHXVAHSA-N 0 0 309.370 0.639 50 0 DCAARN COc1ccnc(N2CCN(C(=O)c3cc(C)no3)CC2)n1 ZINC000052451031 395863265 /nfs/dbraw/zinc/86/32/65/395863265.db2.gz CBSXZYOGMXVLAY-UHFFFAOYSA-N 0 0 303.322 0.744 50 0 DCAARN O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)c1ccccn1 ZINC000225805709 395863869 /nfs/dbraw/zinc/86/38/69/395863869.db2.gz WQSQSLBLRNSGIN-UHFFFAOYSA-N 0 0 316.342 0.576 50 0 DCAARN CCc1ncc2c(n1)CN(C[C@H](O)COC[C@H]1CCCO1)CC2 ZINC000247604767 395976620 /nfs/dbraw/zinc/97/66/20/395976620.db2.gz LLQWGUATSBXYLA-LSDHHAIUSA-N 0 0 321.421 0.954 50 0 DCAARN COc1ccc(CN2CCN(S(=O)(=O)N(C)C)CC2)cn1 ZINC000065267248 395991271 /nfs/dbraw/zinc/99/12/71/395991271.db2.gz NVHUTFOGHIXQEZ-UHFFFAOYSA-N 0 0 314.411 0.014 50 0 DCAARN COc1ncccc1CN(C)S(=O)(=O)c1cn(C)c(C)n1 ZINC000065267069 395991605 /nfs/dbraw/zinc/99/16/05/395991605.db2.gz GFUKPDQNYMVLFS-UHFFFAOYSA-N 0 0 310.379 0.953 50 0 DCAARN COC(=O)CNC(=O)c1cc2c(=O)n(C)c3ccccc3n2n1 ZINC000065292266 395992102 /nfs/dbraw/zinc/99/21/02/395992102.db2.gz JSJKQVYQHYBKGT-UHFFFAOYSA-N 0 0 314.301 0.089 50 0 DCAARN Cc1nonc1CN(C)c1cc(N2CCOCC2)nc(N)n1 ZINC000065420985 395992736 /nfs/dbraw/zinc/99/27/36/395992736.db2.gz WWIPOPVTVUVCPJ-UHFFFAOYSA-N 0 0 305.342 0.223 50 0 DCAARN Cc1cc2n(n1)CCN(c1cc(N3CCOCC3)nc(N)n1)C2 ZINC000065425527 395993313 /nfs/dbraw/zinc/99/33/13/395993313.db2.gz DKEHNUOISNRTCF-UHFFFAOYSA-N 0 0 315.381 0.421 50 0 DCAARN C[C@H](CNC(=O)c1cnn(CC(F)(F)F)c1)N1CCOCC1 ZINC000252523245 396022392 /nfs/dbraw/zinc/02/23/92/396022392.db2.gz CEILQXZROKRXQU-SNVBAGLBSA-N 0 0 320.315 0.896 50 0 DCAARN CCOc1ccc(C(=O)N2C[C@@H](COC)[C@H](C(N)=O)C2)cc1 ZINC000253397572 396027176 /nfs/dbraw/zinc/02/71/76/396027176.db2.gz BMZZLMLYSNPCCN-GXTWGEPZSA-N 0 0 306.362 0.905 50 0 DCAARN Cc1ccncc1C(=O)N1CC[C@@H]2CN(S(C)(=O)=O)[C@@H]2C1 ZINC000253398877 396027335 /nfs/dbraw/zinc/02/73/35/396027335.db2.gz CJIQHUFEPKZAIY-DGCLKSJQSA-N 0 0 309.391 0.496 50 0 DCAARN CN(C)S(=O)(=O)NCCNC(=O)Nc1ccc(Cl)cc1 ZINC000253425888 396028093 /nfs/dbraw/zinc/02/80/93/396028093.db2.gz WJMQYEZEHCGVPR-UHFFFAOYSA-N 0 0 320.802 0.858 50 0 DCAARN CC(C)(C)OC(=O)CC[S@](=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000253431058 396028700 /nfs/dbraw/zinc/02/87/00/396028700.db2.gz NRSZWGCBHRSJAI-YPMLDQLKSA-N 0 0 310.437 0.902 50 0 DCAARN Cc1cc(=O)[nH]c(CNC(=O)C2CCN(C(=O)N(C)C)CC2)n1 ZINC000253536704 396030454 /nfs/dbraw/zinc/03/04/54/396030454.db2.gz LJRXDITUKOTFOV-UHFFFAOYSA-N 0 0 321.381 0.500 50 0 DCAARN COC[C@@H](c1ccccn1)N(C)CCn1c(=O)cc(C)[nH]c1=O ZINC000253536520 396030611 /nfs/dbraw/zinc/03/06/11/396030611.db2.gz USFBNNXJQSSLHN-AWEZNQCLSA-N 0 0 318.377 0.972 50 0 DCAARN CC(=O)N1CCO[C@@H](CNC(=O)CCc2ccccc2O)C1 ZINC000067869170 396036983 /nfs/dbraw/zinc/03/69/83/396036983.db2.gz FZZCEFJVQWLMHL-AWEZNQCLSA-N 0 0 306.362 0.688 50 0 DCAARN c1cc(CN2CCN(c3cncc4nnnn43)CC2)cs1 ZINC000069161108 396071900 /nfs/dbraw/zinc/07/19/00/396071900.db2.gz JKFZGQLDYUUBIK-UHFFFAOYSA-N 0 0 301.379 0.903 50 0 DCAARN CCc1nccn1CCCNC(=O)C1=C(C)NC(=O)N[C@H]1C ZINC000067908911 396038750 /nfs/dbraw/zinc/03/87/50/396038750.db2.gz SIKIHRBRDCNAFS-JTQLQIEISA-N 0 0 305.382 0.927 50 0 DCAARN COc1cc(C(=O)NCc2[nH]nc3c2CCC3)nc(OC)n1 ZINC000067921631 396039139 /nfs/dbraw/zinc/03/91/39/396039139.db2.gz YKYKGNKTGOQHED-UHFFFAOYSA-N 0 0 303.322 0.636 50 0 DCAARN Cc1n[nH]cc1C(=O)N1CCc2nc(N(C)C)[nH]c(=O)c2CC1 ZINC000067954848 396040614 /nfs/dbraw/zinc/04/06/14/396040614.db2.gz LNTLJEATXHFHGJ-UHFFFAOYSA-N 0 0 316.365 0.108 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000068479111 396057025 /nfs/dbraw/zinc/05/70/25/396057025.db2.gz UGXACRYPANRNJI-UHFFFAOYSA-N 0 0 320.393 0.722 50 0 DCAARN O=C(C[C@H]1COCCN1Cc1nc(=O)[nH][nH]1)c1ccccc1 ZINC000152722098 396015008 /nfs/dbraw/zinc/01/50/08/396015008.db2.gz SUIHNEQGZYNNSO-LBPRGKRZSA-N 0 0 302.334 0.572 50 0 DCAARN C[C@H](NC(=O)CCNC(=O)c1ccco1)c1nnnn1C1CC1 ZINC000252483070 396019936 /nfs/dbraw/zinc/01/99/36/396019936.db2.gz DTZCTOPYSSYANB-VIFPVBQESA-N 0 0 318.337 0.598 50 0 DCAARN CCCCn1[nH]ccc1=NC(=O)CN1CCC(C(N)=O)CC1 ZINC000252497837 396021767 /nfs/dbraw/zinc/02/17/67/396021767.db2.gz CUWBXRYKTKOHMQ-UHFFFAOYSA-N 0 0 307.398 0.241 50 0 DCAARN Cc1ccc(CNC(=O)CN2CCN(C[C@H](C)O)CC2)cc1F ZINC000069652255 396085856 /nfs/dbraw/zinc/08/58/56/396085856.db2.gz FNZAWOBGFYJDAQ-AWEZNQCLSA-N 0 0 323.412 0.749 50 0 DCAARN CCOc1cccc(CNC(=O)CN2CCN(CCO)CC2)c1 ZINC000069652193 396086384 /nfs/dbraw/zinc/08/63/84/396086384.db2.gz VCAKAJWQBSGADI-UHFFFAOYSA-N 0 0 321.421 0.311 50 0 DCAARN OCCN1CCN(Cc2nnc(Cc3ccccc3)o2)CC1 ZINC000069705850 396087757 /nfs/dbraw/zinc/08/77/57/396087757.db2.gz LSINNSVATFCLGB-UHFFFAOYSA-N 0 0 302.378 0.770 50 0 DCAARN C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000069739196 396088361 /nfs/dbraw/zinc/08/83/61/396088361.db2.gz OHAIWPFEVTZRPN-VHSXEESVSA-N 0 0 318.299 0.799 50 0 DCAARN CCN1CCN(C(=O)[C@@H](C)N2CC(n3nc(C)cc3C)C2)CC1 ZINC000069770005 396089727 /nfs/dbraw/zinc/08/97/27/396089727.db2.gz DDMVIZPMZVDKBN-OAHLLOKOSA-N 0 0 319.453 0.909 50 0 DCAARN CCOCCOC1CCN(S(=O)(=O)c2cn(C)cn2)CC1 ZINC000169768310 396090875 /nfs/dbraw/zinc/09/08/75/396090875.db2.gz DSSVUBJHCIPEEI-UHFFFAOYSA-N 0 0 317.411 0.626 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CC[C@@H](c3noc(C4CC4)n3)C2)c1 ZINC000169772033 396091271 /nfs/dbraw/zinc/09/12/71/396091271.db2.gz IHRDCPDVWZAUAR-SNVBAGLBSA-N 0 0 323.378 0.859 50 0 DCAARN CCOCCN1CCN([C@@H](C)C(=O)Nc2ncccn2)C[C@@H]1C ZINC000069841362 396091804 /nfs/dbraw/zinc/09/18/04/396091804.db2.gz KJXCXLCFZDPXLE-KBPBESRZSA-N 0 0 321.425 0.846 50 0 DCAARN CCCNC(=O)N[C@@H]1CCc2nn(CC3CC3)c(=O)n2CC1 ZINC000169790514 396093437 /nfs/dbraw/zinc/09/34/37/396093437.db2.gz RAJGETCOIKCCAZ-GFCCVEGCSA-N 0 0 307.398 0.869 50 0 DCAARN O=C(CN1CCOCC1)N[C@H]1CCc2nnc(C3CC3)n2CC1 ZINC000169790271 396093467 /nfs/dbraw/zinc/09/34/67/396093467.db2.gz RZYNPBKMPXACOW-ZDUSSCGKSA-N 0 0 319.409 0.309 50 0 DCAARN Cc1nc(C)n(C[C@H]2CCCCN2c2ccc3nnnn3n2)n1 ZINC000069897206 396093632 /nfs/dbraw/zinc/09/36/32/396093632.db2.gz BISNYMYRMIWYIH-GFCCVEGCSA-N 0 0 313.369 0.787 50 0 DCAARN CN(CCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000069921303 396094777 /nfs/dbraw/zinc/09/47/77/396094777.db2.gz ITWPFQRDDBIDHF-GFCCVEGCSA-N 0 0 317.432 0.579 50 0 DCAARN Cn1cc(C(=O)C(=O)NCCc2nc(-c3ccccc3)n[nH]2)cn1 ZINC000170603755 396095007 /nfs/dbraw/zinc/09/50/07/396095007.db2.gz RYPPEIVLPQSFRZ-UHFFFAOYSA-N 0 0 324.344 0.747 50 0 DCAARN CC(C)(C)OC(=O)CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000170627261 396095890 /nfs/dbraw/zinc/09/58/90/396095890.db2.gz JCTYCGSJELDVPR-OTYXRUKQSA-N 0 0 314.407 0.898 50 0 DCAARN CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](C)O ZINC000170624226 396096246 /nfs/dbraw/zinc/09/62/46/396096246.db2.gz BEOCHBKJYHNUTK-JTQLQIEISA-N 0 0 323.397 0.796 50 0 DCAARN c1nnc2ccc(N3CCN(CCc4ccccn4)CC3)nn12 ZINC000069966654 396096285 /nfs/dbraw/zinc/09/62/85/396096285.db2.gz IWBHNLNNPUGGMT-UHFFFAOYSA-N 0 0 309.377 0.884 50 0 DCAARN Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc(C(N)=O)cn2)c1 ZINC000070003792 396097571 /nfs/dbraw/zinc/09/75/71/396097571.db2.gz DJSPICUUZAPHHZ-ZDUSSCGKSA-N 0 0 313.361 0.990 50 0 DCAARN Cc1noc(CNC(=O)C2CN(C(=O)c3cccs3)C2)n1 ZINC000070810348 396105236 /nfs/dbraw/zinc/10/52/36/396105236.db2.gz WKFHLUBRIIWTKQ-UHFFFAOYSA-N 0 0 306.347 0.828 50 0 DCAARN CN(CC1(CO)CCCC1)C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000071776016 396114694 /nfs/dbraw/zinc/11/46/94/396114694.db2.gz UGEMAIHHLSUSPI-GFCCVEGCSA-N 0 0 318.439 0.422 50 0 DCAARN CC[C@@H]1CN(CN2C(=O)NC3(CCSCC3)C2=O)CCO1 ZINC000071795900 396115394 /nfs/dbraw/zinc/11/53/94/396115394.db2.gz CJQQWNDCEOLNRC-LLVKDONJSA-N 0 0 313.423 0.872 50 0 DCAARN NC(=O)CN1CCC(NC(=O)Cn2ccc3ccccc32)CC1 ZINC000071819836 396116195 /nfs/dbraw/zinc/11/61/95/396116195.db2.gz JEPDLTGHMDWQDX-UHFFFAOYSA-N 0 0 314.389 0.707 50 0 DCAARN Cc1noc(CCCC(=O)N2CCC(N3CCNC3=O)CC2)n1 ZINC000071819983 396116369 /nfs/dbraw/zinc/11/63/69/396116369.db2.gz CRJDLLWQUNJGBP-UHFFFAOYSA-N 0 0 321.381 0.717 50 0 DCAARN Cn1cc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 ZINC000071826725 396116926 /nfs/dbraw/zinc/11/69/26/396116926.db2.gz WMQQVLPLVSWBOR-LLVKDONJSA-N 0 0 304.325 0.633 50 0 DCAARN O=C(c1ccc(OCC(F)(F)F)nc1)N1CCNC(=O)CC1 ZINC000071839560 396117776 /nfs/dbraw/zinc/11/77/76/396117776.db2.gz DUCGLKWXALYNOH-UHFFFAOYSA-N 0 0 317.267 0.985 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 ZINC000071871128 396120180 /nfs/dbraw/zinc/12/01/80/396120180.db2.gz BDNCYNHHXXNMBL-ZDUSSCGKSA-N 0 0 304.390 0.689 50 0 DCAARN CC(=O)NC1(C(=O)N2CCN(C[C@H](C)O)CC2)CCCCC1 ZINC000071871320 396120796 /nfs/dbraw/zinc/12/07/96/396120796.db2.gz KWQBPXAKBPSYRY-ZDUSSCGKSA-N 0 0 311.426 0.350 50 0 DCAARN C[C@@H](O)CN1CCN([C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000071877430 396121507 /nfs/dbraw/zinc/12/15/07/396121507.db2.gz LRYZNOTXXUKNOG-ZBFHGGJFSA-N 0 0 305.422 0.814 50 0 DCAARN COC[C@@H](C)NC(=O)N(C)C[C@@H](O)COCCOC(C)C ZINC000071913541 396124371 /nfs/dbraw/zinc/12/43/71/396124371.db2.gz YNNUTRQMFWBVFH-CHWSQXEVSA-N 0 0 306.403 0.465 50 0 DCAARN Cc1cc(C)n(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)n1 ZINC000072265077 396128399 /nfs/dbraw/zinc/12/83/99/396128399.db2.gz CYXONQHQUVKKSL-UHFFFAOYSA-N 0 0 313.317 0.134 50 0 DCAARN C[C@H](C(=O)N1CCCN(Cc2nccn2C)CC1)n1cccn1 ZINC000072279613 396128739 /nfs/dbraw/zinc/12/87/39/396128739.db2.gz HMPXXHZKZKQGLO-CQSZACIVSA-N 0 0 316.409 0.912 50 0 DCAARN CN(C)[C@H](CNC(=O)NCC[C@@H]1CCCO1)c1cnn(C)c1 ZINC000072287684 396129898 /nfs/dbraw/zinc/12/98/98/396129898.db2.gz GDFQDTNYPJDSRN-UONOGXRCSA-N 0 0 309.414 0.891 50 0 DCAARN CC(C)NC(=O)COC(=O)c1nc(Br)cnc1N ZINC000072312503 396131456 /nfs/dbraw/zinc/13/14/56/396131456.db2.gz AGZPZFMPCCJJCB-UHFFFAOYSA-N 0 0 317.143 0.503 50 0 DCAARN C[C@H]1CN(S(=O)(=O)NCCCOCC2CC2)C[C@H](C)O1 ZINC000069415030 396077319 /nfs/dbraw/zinc/07/73/19/396077319.db2.gz MQSLICUULJYTFQ-RYUDHWBXSA-N 0 0 306.428 0.747 50 0 DCAARN O=C(NCCN1C(=O)Cc2ccccc21)N1CCC[C@@H](CO)C1 ZINC000069420882 396078056 /nfs/dbraw/zinc/07/80/56/396078056.db2.gz NTALZVPLHLXMJH-CYBMUJFWSA-N 0 0 317.389 0.990 50 0 DCAARN Cc1cc(NC(=O)CN2CCc3cnc(C)nc3C2)n(C)n1 ZINC000069420340 396078196 /nfs/dbraw/zinc/07/81/96/396078196.db2.gz LJNBKLAVIBIWRK-UHFFFAOYSA-N 0 0 300.366 0.824 50 0 DCAARN C[C@@H]1CN(C[C@H](O)CN2CCc3c(ncn3C)C2)C[C@@H](C)O1 ZINC000069443461 396078508 /nfs/dbraw/zinc/07/85/08/396078508.db2.gz HKACZSQHNXZJHZ-MGPQQGTHSA-N 0 0 308.426 0.248 50 0 DCAARN CN(C)C(=O)CNC(=O)C(C)(C)c1ccc2c(c1)OCCO2 ZINC000069509472 396081230 /nfs/dbraw/zinc/08/12/30/396081230.db2.gz CSIRSTFDZIERBW-UHFFFAOYSA-N 0 0 306.362 0.940 50 0 DCAARN CC(C)(CNC(=O)CC[C@H]1CCCO1)N1CCS(=O)CC1 ZINC000074135598 396158517 /nfs/dbraw/zinc/15/85/17/396158517.db2.gz UBGSFXSPFMEBQM-CYBMUJFWSA-N 0 0 316.467 0.905 50 0 DCAARN C[C@]1(C2CCN(C(=O)NCc3ccco3)CC2)NC(=O)NC1=O ZINC000075094427 396175845 /nfs/dbraw/zinc/17/58/45/396175845.db2.gz SNCHFQOUGHOKRH-OAHLLOKOSA-N 0 0 320.349 0.799 50 0 DCAARN COC[C@H](C)NC(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O ZINC000075118775 396176780 /nfs/dbraw/zinc/17/67/80/396176780.db2.gz HQCSLKGSDOMJAO-JTQLQIEISA-N 0 0 316.361 0.834 50 0 DCAARN Cn1c(Oc2cccc(F)c2)nc2c1n(C)c(=O)n(C)c2=O ZINC000075283194 396178606 /nfs/dbraw/zinc/17/86/06/396178606.db2.gz JPRAZPMJPXHGPI-UHFFFAOYSA-N 0 0 304.281 0.902 50 0 DCAARN O=c1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCCC4)[nH]c(=O)[nH]1 ZINC000075249122 396178774 /nfs/dbraw/zinc/17/87/74/396178774.db2.gz PTUJLXORDCVGOI-LLVKDONJSA-N 0 0 318.358 0.858 50 0 DCAARN CCN(C(=O)CN1CCCN(Cc2noc(C)n2)CC1)C1CC1 ZINC000075603189 396182655 /nfs/dbraw/zinc/18/26/55/396182655.db2.gz LFKZRYXHKPSHHO-UHFFFAOYSA-N 0 0 321.425 0.897 50 0 DCAARN COCCO[C@H](C)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000076053611 396194665 /nfs/dbraw/zinc/19/46/65/396194665.db2.gz SNGMNZRTTCQJLC-MJBXVCDLSA-N 0 0 300.399 0.217 50 0 DCAARN CC(=O)N1CCN([C@@H]2CN(Cc3ncc(C)o3)C[C@@H]2C)CC1 ZINC000076055288 396195171 /nfs/dbraw/zinc/19/51/71/396195171.db2.gz UGRHNRTYNZKHCB-SWLSCSKDSA-N 0 0 306.410 0.967 50 0 DCAARN CN1C[C@H](Nc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CCC1=O ZINC000077992763 396238001 /nfs/dbraw/zinc/23/80/01/396238001.db2.gz LFVVLDDTJSJQQM-SECBINFHSA-N 0 0 318.381 0.907 50 0 DCAARN Cc1nc(CCN2CCO[C@H](CN(C)CC(N)=O)C2)cs1 ZINC000281881080 396246504 /nfs/dbraw/zinc/24/65/04/396246504.db2.gz AJCRKLBENPXXAH-CYBMUJFWSA-N 0 0 312.439 0.112 50 0 DCAARN CN(C)S(=O)(=O)CCCN1CCn2c(nnc2C2CC2)C1 ZINC000078788036 396254483 /nfs/dbraw/zinc/25/44/83/396254483.db2.gz VKIMFGNMDIPCSX-UHFFFAOYSA-N 0 0 313.427 0.253 50 0 DCAARN Cn1cc([C@](C)(O)CNC(=O)[C@@H]2COc3ccccc32)cn1 ZINC000078939681 396258421 /nfs/dbraw/zinc/25/84/21/396258421.db2.gz MPXDSTZGCLHVLK-CZUORRHYSA-N 0 0 301.346 0.920 50 0 DCAARN [NH3+][C@H]1C[C@@H](C(=O)[O-])N(C2CCN(C(=O)c3ccncc3)CC2)C1 ZINC000077323374 396218867 /nfs/dbraw/zinc/21/88/67/396218867.db2.gz OGOSJPYVMMZRGI-JSGCOSHPSA-N 0 0 318.377 0.172 50 0 DCAARN O=C(CCCn1cncn1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000077380462 396220511 /nfs/dbraw/zinc/22/05/11/396220511.db2.gz DDZJZPDVANKULK-UHFFFAOYSA-N 0 0 319.409 0.919 50 0 DCAARN CCn1cc(S(=O)(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cn1 ZINC000265633135 396332116 /nfs/dbraw/zinc/33/21/16/396332116.db2.gz FMJBACHZCWEZSW-SNVBAGLBSA-N 0 0 300.384 0.191 50 0 DCAARN CCc1ccc(C(=O)N2CC(C(=O)NC)C2)cc1S(C)(=O)=O ZINC000186120608 396341672 /nfs/dbraw/zinc/34/16/72/396341672.db2.gz OAEMAYMDJDHXQE-UHFFFAOYSA-N 0 0 324.402 0.471 50 0 DCAARN Cc1c(S(=O)(=O)N[C@H]2CCCc3nn(C)cc32)cnn1C ZINC000292264044 396541044 /nfs/dbraw/zinc/54/10/44/396541044.db2.gz KNQOTNPBTDHBQJ-LBPRGKRZSA-N 0 0 309.395 0.818 50 0 DCAARN O=C(CN1CCC[C@H](O)C1)NCc1[nH]nc2c1CCCCC2 ZINC000584886539 396632427 /nfs/dbraw/zinc/63/24/27/396632427.db2.gz WCJMUJNGHYTJFJ-LBPRGKRZSA-N 0 0 306.410 0.752 50 0 DCAARN CCc1nnc(CN(C)C(=O)[C@@H]2CSC(C)(C)C(=O)N2)o1 ZINC000584889919 396632965 /nfs/dbraw/zinc/63/29/65/396632965.db2.gz UPMVZJCYPIIPJE-QMMMGPOBSA-N 0 0 312.395 0.601 50 0 DCAARN O=C(NCc1nc2cc(F)ccc2[nH]1)[C@H]1CCC(=O)NC(=O)N1 ZINC000584887542 396633106 /nfs/dbraw/zinc/63/31/06/396633106.db2.gz SGXHQMCUAYSZRQ-SECBINFHSA-N 0 0 319.296 0.306 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N1CCC(Cc2cccnc2)CC1 ZINC000584888513 396633115 /nfs/dbraw/zinc/63/31/15/396633115.db2.gz WUDBSKRCYARTJH-CYBMUJFWSA-N 0 0 316.361 0.461 50 0 DCAARN CN1CCN(CC(=O)N2CCC[C@H](CN3CCCC3=O)C2)C1=O ZINC000584892229 396634151 /nfs/dbraw/zinc/63/41/51/396634151.db2.gz DZZIPCBUVQOKGD-CYBMUJFWSA-N 0 0 322.409 0.215 50 0 DCAARN COc1cccc2c1ncn(CCN(C)S(C)(=O)=O)c2=O ZINC000584891130 396634330 /nfs/dbraw/zinc/63/43/30/396634330.db2.gz UDEATAKPGIPAFG-UHFFFAOYSA-N 0 0 311.363 0.297 50 0 DCAARN Cc1nnnn1CCC(=O)N1CC[C@@](O)(c2ccccc2)C1 ZINC000584893757 396634635 /nfs/dbraw/zinc/63/46/35/396634635.db2.gz OQZUGIJQQDMZEF-HNNXBMFYSA-N 0 0 301.350 0.492 50 0 DCAARN CCc1ocnc1C(=O)N1CCC2(CC1)CN(C)C(=O)CO2 ZINC000584903878 396636773 /nfs/dbraw/zinc/63/67/73/396636773.db2.gz LLNBKPWJIXJPFV-UHFFFAOYSA-N 0 0 307.350 0.700 50 0 DCAARN CCc1nn(C)c2c1ncn(CCCN1CCCC1=O)c2=O ZINC000584903641 396637347 /nfs/dbraw/zinc/63/73/47/396637347.db2.gz XWMDAEBCBAJENH-UHFFFAOYSA-N 0 0 303.366 0.705 50 0 DCAARN C[NH+](C)CCN1CCN(C(=O)CCc2ccncc2)CC1=O ZINC000585140689 396641469 /nfs/dbraw/zinc/64/14/69/396641469.db2.gz ISJOSCOSRHBUEI-UHFFFAOYSA-N 0 0 304.394 0.247 50 0 DCAARN C[C@H]1NC(=O)N(CCS(=O)(=O)c2cc(F)ccc2F)C1=O ZINC000585136741 396641539 /nfs/dbraw/zinc/64/15/39/396641539.db2.gz RBZMZKVTOCCTIC-SSDOTTSWSA-N 0 0 318.301 0.679 50 0 DCAARN CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)NCCCn1ncccc1=O ZINC000585149619 396642165 /nfs/dbraw/zinc/64/21/65/396642165.db2.gz JWRJVLCNTRSVGW-YPMHNXCESA-N 0 0 320.393 0.158 50 0 DCAARN CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)NCCCn1ncccc1=O ZINC000585149611 396642226 /nfs/dbraw/zinc/64/22/26/396642226.db2.gz JWRJVLCNTRSVGW-AAEUAGOBSA-N 0 0 320.393 0.158 50 0 DCAARN C[C@@H](C(=O)NCCS(=O)(=O)N(C)C)n1cc(Cl)cn1 ZINC000299798807 396714236 /nfs/dbraw/zinc/71/42/36/396714236.db2.gz UFNSJSBRMKIPMA-QMMMGPOBSA-N 0 0 308.791 0.105 50 0 DCAARN O=S(=O)(N1CCCC1)N1CCN(CC(F)(F)F)CC1 ZINC000336803821 396937789 /nfs/dbraw/zinc/93/77/89/396937789.db2.gz ZVSNOFPXOXPGOU-UHFFFAOYSA-N 0 0 301.334 0.507 50 0 DCAARN Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2ncccc2F)cn1 ZINC000597555337 397013346 /nfs/dbraw/zinc/01/33/46/397013346.db2.gz OJQBERANHDDVDP-IPQOISQHSA-N 0 0 322.365 0.900 50 0 DCAARN O=C(Cn1ncccc1=O)Nc1cnn(C[C@H]2CCCCO2)c1 ZINC000390827430 397303554 /nfs/dbraw/zinc/30/35/54/397303554.db2.gz HCADQXOSHWBBMO-CYBMUJFWSA-N 0 0 317.349 0.648 50 0 DCAARN CCOC(=O)N[C@@]1(C(F)(F)F)C(=O)NC(C)=C1C(=O)OC ZINC000100212497 285829139 /nfs/dbraw/zinc/82/91/39/285829139.db2.gz UQWDYEJQTWTUHO-SNVBAGLBSA-N 0 0 310.228 0.610 50 0 DCAARN COCC1(C(=O)N2CCCN(S(C)(=O)=O)CC2)CCC1 ZINC000065462134 292210202 /nfs/dbraw/zinc/21/02/02/292210202.db2.gz RBXDFFIZFYHIOL-UHFFFAOYSA-N 0 0 304.412 0.297 50 0 DCAARN CS(=O)(=O)c1cc(F)ccc1N1CCC(C(N)=O)CC1 ZINC000015443227 286632193 /nfs/dbraw/zinc/63/21/93/286632193.db2.gz NESCEWNXAYDQRB-UHFFFAOYSA-N 0 0 300.355 0.931 50 0 DCAARN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1cn[nH]c1 ZINC000270263156 158910191 /nfs/dbraw/zinc/91/01/91/158910191.db2.gz QWZBBIFRXMATOQ-RTHLEPHNSA-N 0 0 305.338 0.307 50 0 DCAARN O=C1C[C@H](NS(=O)(=O)C[C@H]2CCCO2)[C@@H]2CCCCN12 ZINC000328755145 159027036 /nfs/dbraw/zinc/02/70/36/159027036.db2.gz STLMXVQVMHHIKG-WOPDTQHZSA-N 0 0 302.396 0.238 50 0 DCAARN CC(C)c1nnc2n1CCN(S(=O)(=O)Cc1ccon1)C2 ZINC000329754444 159117464 /nfs/dbraw/zinc/11/74/64/159117464.db2.gz XHTONRKKBYMBED-UHFFFAOYSA-N 0 0 311.367 0.735 50 0 DCAARN COc1ccc(S(=O)(=O)NCC(=O)NC2CC2)cc1OC ZINC000000470828 415125865 /nfs/dbraw/zinc/12/58/65/415125865.db2.gz BJFFMNIVBSQGBB-UHFFFAOYSA-N 0 0 314.363 0.261 50 0 DCAARN CC(C)[NH+]1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)CC1 ZINC000003882699 415129533 /nfs/dbraw/zinc/12/95/33/415129533.db2.gz WPMPUQODTSAUIV-UMPJEAMMSA-N 0 0 320.389 0.726 50 0 DCAARN CC[C@@H](C)NC(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C ZINC000007024291 415136031 /nfs/dbraw/zinc/13/60/31/415136031.db2.gz XCCBXNUPCSALDH-SECBINFHSA-N 0 0 316.427 0.665 50 0 DCAARN O=C(COC(=O)C1=NNC(=O)CC1)NCc1ccc(Cl)cc1 ZINC000007141196 415136088 /nfs/dbraw/zinc/13/60/88/415136088.db2.gz ZBNDFIMDMLQXJA-UHFFFAOYSA-N 0 0 323.736 0.765 50 0 DCAARN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(CCC(=O)N2CCOCC2)C1 ZINC000331577760 415137348 /nfs/dbraw/zinc/13/73/48/415137348.db2.gz IKBUNNODAZSHIF-OLZOCXBDSA-N 0 0 323.397 0.124 50 0 DCAARN CC[C@H](C)NC(=O)COC(=O)c1ccc(OCC(N)=O)cc1 ZINC000007581083 415140528 /nfs/dbraw/zinc/14/05/28/415140528.db2.gz LLZDYVCFKQIWEQ-JTQLQIEISA-N 0 0 308.334 0.622 50 0 DCAARN COCCNC(=O)C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000009059824 415143562 /nfs/dbraw/zinc/14/35/62/415143562.db2.gz MDKQVOUJPUJWJC-UHFFFAOYSA-N 0 0 304.354 0.332 50 0 DCAARN CC(C)NC(=O)c1cccc2c1CCCN2CC(=O)NC(N)=O ZINC000008706747 415144838 /nfs/dbraw/zinc/14/48/38/415144838.db2.gz FMVXCHWRZWHCFY-UHFFFAOYSA-N 0 0 318.377 0.772 50 0 DCAARN O=C(NCCCO)C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000009418410 415145700 /nfs/dbraw/zinc/14/57/00/415145700.db2.gz MYMALKHZOVEYLX-UHFFFAOYSA-N 0 0 304.354 0.068 50 0 DCAARN C/C=C/Cn1c(-n2nc(C)cc2C)nc2c1c(=O)[nH]c(=O)n2C ZINC000012515931 415147323 /nfs/dbraw/zinc/14/73/23/415147323.db2.gz SYCZNWQQHREXLZ-AATRIKPKSA-N 0 0 314.349 0.802 50 0 DCAARN Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1-c1cccc(O)c1 ZINC000012549607 415147840 /nfs/dbraw/zinc/14/78/40/415147840.db2.gz WCUXYURPHKHGIK-UHFFFAOYSA-N 0 0 311.301 0.679 50 0 biogenic DCAARN CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccncc2)n(C)c1 ZINC000027407827 415171759 /nfs/dbraw/zinc/17/17/59/415171759.db2.gz JQVQTBYKBIEPGY-SNVBAGLBSA-N 0 0 322.390 0.819 50 0 DCAARN CC(=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(C)c(F)c2)C1 ZINC000027672213 415173571 /nfs/dbraw/zinc/17/35/71/415173571.db2.gz OVFPNPNXDMNAAR-LBPRGKRZSA-N 0 0 321.352 0.739 50 0 DCAARN C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)n1cnc2ccccc21 ZINC000030604699 415182381 /nfs/dbraw/zinc/18/23/81/415182381.db2.gz LZWRNOSAYVCVIU-WDEREUQCSA-N 0 0 307.375 0.901 50 0 DCAARN C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccco1 ZINC000036386135 415190646 /nfs/dbraw/zinc/19/06/46/415190646.db2.gz WNUVHCAPHDSJSJ-NEPJUHHUSA-N 0 0 314.407 0.745 50 0 DCAARN CC1CCN(S(=O)(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000044299551 415218048 /nfs/dbraw/zinc/21/80/48/415218048.db2.gz PGEGWMDSHCMISY-UHFFFAOYSA-N 0 0 319.471 0.664 50 0 DCAARN C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)c1ccccc1 ZINC000044941519 415233833 /nfs/dbraw/zinc/23/38/33/415233833.db2.gz JUZARXXUSNBBKO-GFCCVEGCSA-N 0 0 316.361 0.178 50 0 DCAARN CC(C)CN1CCO[C@H](CNS(=O)(=O)c2cnn(C)c2)C1 ZINC000044937336 415234396 /nfs/dbraw/zinc/23/43/96/415234396.db2.gz OWUNYFIDHUZTRX-GFCCVEGCSA-N 0 0 316.427 0.055 50 0 DCAARN O=C(NC1CCN(c2ncccn2)CC1)c1ccc(=O)[nH]n1 ZINC000044943081 415236327 /nfs/dbraw/zinc/23/63/27/415236327.db2.gz MUMBXSQQHKITHL-UHFFFAOYSA-N 0 0 300.322 0.371 50 0 DCAARN O=C(NCCCN1CCCC1=O)c1sccc1-n1cnnn1 ZINC000044966866 415238884 /nfs/dbraw/zinc/23/88/84/415238884.db2.gz ZAMGXARBGIJGFY-UHFFFAOYSA-N 0 0 320.378 0.466 50 0 DCAARN C[C@@H](CNC(=O)Nc1ccc(N(C)C)nc1)N1CCOCC1 ZINC000044951560 415239127 /nfs/dbraw/zinc/23/91/27/415239127.db2.gz DLMQQRGECZWQEF-LBPRGKRZSA-N 0 0 307.398 0.990 50 0 DCAARN NC(=O)[C@@H]1Cc2ccccc2CN1CCC(=O)N1CCOCC1 ZINC000044979742 415240533 /nfs/dbraw/zinc/24/05/33/415240533.db2.gz YIXMKRIAEYQXKN-HNNXBMFYSA-N 0 0 317.389 0.148 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)NC[C@@H]2COc3ccccc3C2)C1 ZINC000045128394 415244603 /nfs/dbraw/zinc/24/46/03/415244603.db2.gz ZNTBVRANKBHUPT-YPMHNXCESA-N 0 0 303.362 0.755 50 0 DCAARN O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)Nc1ccccn1 ZINC000045536674 415245424 /nfs/dbraw/zinc/24/54/24/415245424.db2.gz BHWYUCRGXJFAEW-KGLIPLIRSA-N 0 0 320.393 0.940 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)Nc2ccc(-n3cncn3)nc2)C1 ZINC000048131601 415284325 /nfs/dbraw/zinc/28/43/25/415284325.db2.gz CONIEWGBSMNUMP-VIFPVBQESA-N 0 0 301.310 0.001 50 0 DCAARN O=C(CCNc1ncccn1)NCCNC(=O)c1ccccc1 ZINC000045768475 415251403 /nfs/dbraw/zinc/25/14/03/415251403.db2.gz ILBYEIVWOHMNQO-UHFFFAOYSA-N 0 0 313.361 0.825 50 0 DCAARN COCCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccco1 ZINC000045896163 415255288 /nfs/dbraw/zinc/25/52/88/415255288.db2.gz CHASAJLQLVHOOY-LLVKDONJSA-N 0 0 305.294 0.745 50 0 DCAARN CCCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000047951971 415284701 /nfs/dbraw/zinc/28/47/01/415284701.db2.gz NSAUEUZHWHLVCY-GFCCVEGCSA-N 0 0 321.425 0.529 50 0 DCAARN Cn1cc(NC(=O)Cc2csc(N3CCNC3=O)n2)cn1 ZINC000046787958 415263529 /nfs/dbraw/zinc/26/35/29/415263529.db2.gz SGPGOPBKVBAGRM-UHFFFAOYSA-N 0 0 306.351 0.587 50 0 DCAARN NC(=O)CN(Cc1cc(=O)n2ccsc2n1)C1CCCC1 ZINC000047274314 415267486 /nfs/dbraw/zinc/26/74/86/415267486.db2.gz XCJWFYGYUJJVGF-UHFFFAOYSA-N 0 0 306.391 0.986 50 0 DCAARN CN1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000047614656 415273640 /nfs/dbraw/zinc/27/36/40/415273640.db2.gz HNOYIKRZLPYPCY-ZDUSSCGKSA-N 0 0 302.378 0.204 50 0 DCAARN O=C(NCc1cccnc1N1CCOCC1)[C@H]1CCC(=O)NC1 ZINC000048113338 415283246 /nfs/dbraw/zinc/28/32/46/415283246.db2.gz BYDSBJVZKKSXNC-ZDUSSCGKSA-N 0 0 318.377 0.061 50 0 DCAARN Cc1noc(C)c1CCC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000044457113 415222632 /nfs/dbraw/zinc/22/26/32/415222632.db2.gz PABFSRCCNPBKSC-NSHDSACASA-N 0 0 300.380 0.775 50 0 DCAARN CCNC(=O)CN1CCN(CCc2ccc(OC)cc2)CC1 ZINC000044739776 415225029 /nfs/dbraw/zinc/22/50/29/415225029.db2.gz QKDSCJWWESVNDW-UHFFFAOYSA-N 0 0 305.422 0.991 50 0 DCAARN CN(C(=O)CSC1=NCCS1)[C@@H]1CCS(=O)(=O)C1 ZINC000044865722 415228451 /nfs/dbraw/zinc/22/84/51/415228451.db2.gz WEIRDYWBTYJYKU-MRVPVSSYSA-N 0 0 308.450 0.468 50 0 DCAARN CC(=O)N1CCCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000044891845 415228553 /nfs/dbraw/zinc/22/85/53/415228553.db2.gz WQNMFDWKOBWJJF-OAHLLOKOSA-N 0 0 304.346 0.907 50 0 DCAARN CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCc1ccccn1 ZINC000044870193 415228950 /nfs/dbraw/zinc/22/89/50/415228950.db2.gz OSQILRUQJSIQTF-CYBMUJFWSA-N 0 0 311.407 0.554 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)NCCc2ccccc2)n(C)c1 ZINC000044890676 415229315 /nfs/dbraw/zinc/22/93/15/415229315.db2.gz NQUYXSFRRSEALC-UHFFFAOYSA-N 0 0 321.402 0.906 50 0 DCAARN CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000044891337 415229810 /nfs/dbraw/zinc/22/98/10/415229810.db2.gz CYXLMFVYNHLHOY-SNVBAGLBSA-N 0 0 301.368 0.438 50 0 DCAARN COc1ccccc1NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000044908227 415232204 /nfs/dbraw/zinc/23/22/04/415232204.db2.gz SKOGQWSOHMMDDI-UHFFFAOYSA-N 0 0 313.379 0.549 50 0 DCAARN O=C(NCc1cc[nH]n1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000048273704 415285509 /nfs/dbraw/zinc/28/55/09/415285509.db2.gz JVEHDRWGCXSRNA-GFCCVEGCSA-N 0 0 301.354 0.668 50 0 DCAARN Cn1ncc2c1ncn(Cc1cnn(-c3ccccc3)n1)c2=O ZINC000048288311 415287748 /nfs/dbraw/zinc/28/77/48/415287748.db2.gz NGAZJYHNGIUSKC-UHFFFAOYSA-N 0 0 307.317 0.759 50 0 DCAARN Cn1cc(C(=O)N2CCN(c3nccs3)CC2)ccc1=O ZINC000048303810 415290697 /nfs/dbraw/zinc/29/06/97/415290697.db2.gz ZGWLLZHXKGYWHH-UHFFFAOYSA-N 0 0 304.375 0.804 50 0 DCAARN CN(Cn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000049319974 415305710 /nfs/dbraw/zinc/30/57/10/415305710.db2.gz KPUGULLRSPBXKS-VIFPVBQESA-N 0 0 308.201 0.722 50 0 DCAARN O=C(COCC1CC1)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000060613941 415343663 /nfs/dbraw/zinc/34/36/63/415343663.db2.gz YJMDWSPTAKSNJU-UHFFFAOYSA-N 0 0 323.393 0.784 50 0 DCAARN CS(=O)(=O)c1nc(C(=O)Nc2nc[nH]n2)c2ccccn21 ZINC000058358223 415343972 /nfs/dbraw/zinc/34/39/72/415343972.db2.gz AURRUQDSHZDQIX-UHFFFAOYSA-N 0 0 306.307 0.108 50 0 DCAARN COC(=O)CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000062001297 415345455 /nfs/dbraw/zinc/34/54/55/415345455.db2.gz KZDUFSRXXIPTOY-AUTRQRHGSA-N 0 0 315.395 0.001 50 0 biogenic DCAARN COc1ccc(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)nn1 ZINC000332334408 415350132 /nfs/dbraw/zinc/35/01/32/415350132.db2.gz PSUVDRKNESXWMX-QMMMGPOBSA-N 0 0 305.294 0.594 50 0 DCAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCCOC[C@@H]2CCOC2)C1 ZINC000068943817 415400270 /nfs/dbraw/zinc/40/02/70/415400270.db2.gz WVWXRWUEQHURLH-HZSPNIEDSA-N 0 0 320.455 0.852 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)CN2CCCCCC2=O)CC1 ZINC000070016676 415403476 /nfs/dbraw/zinc/40/34/76/415403476.db2.gz GJDMPACCIGYAOZ-CQSZACIVSA-N 0 0 311.426 0.304 50 0 DCAARN O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](n2cncn2)C1 ZINC000072234814 415409652 /nfs/dbraw/zinc/40/96/52/415409652.db2.gz SXQMOJCTXXRBHE-AAEUAGOBSA-N 0 0 303.366 0.453 50 0 DCAARN CN1CCN(C(=O)CCNS(=O)(=O)C2CCCCC2)CC1 ZINC000066575921 415364665 /nfs/dbraw/zinc/36/46/65/415364665.db2.gz OAXZGDPCVHYWJG-UHFFFAOYSA-N 0 0 317.455 0.403 50 0 DCAARN CC(C)C1=NO[C@@H](C(=O)N2CCN(CCn3cncn3)CC2)C1 ZINC000067675103 415378054 /nfs/dbraw/zinc/37/80/54/415378054.db2.gz VBLQVQIAUWVZGX-CQSZACIVSA-N 0 0 320.397 0.223 50 0 DCAARN CC[C@H](C(=O)N1CCC2(CC1)C(=O)NCCN2C)n1cccn1 ZINC000067674999 415380227 /nfs/dbraw/zinc/38/02/27/415380227.db2.gz XXQWQGQGHVPDLU-CYBMUJFWSA-N 0 0 319.409 0.257 50 0 DCAARN CCc1ncc2c(n1)CN(C(=O)[C@H](CC)N1CCOCC1)C2 ZINC000067833657 415384336 /nfs/dbraw/zinc/38/43/36/415384336.db2.gz IISYNQUWDCNFRU-AWEZNQCLSA-N 0 0 304.394 0.992 50 0 DCAARN CCNc1ncc(CN2CCC(NS(C)(=O)=O)CC2)cn1 ZINC000067695996 415386564 /nfs/dbraw/zinc/38/65/64/415386564.db2.gz BSKKQOJABHSCIM-UHFFFAOYSA-N 0 0 313.427 0.422 50 0 DCAARN NC(=O)c1ccc(CN2CCO[C@@H](Cn3cncn3)C2)cc1 ZINC000075132056 415437312 /nfs/dbraw/zinc/43/73/12/415437312.db2.gz SBZAHDXPOJPDOL-CQSZACIVSA-N 0 0 301.350 0.278 50 0 DCAARN CC[C@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1N1CCOCC1 ZINC000084735834 415501914 /nfs/dbraw/zinc/50/19/14/415501914.db2.gz ZKVVYIBXJFJQCP-JKSUJKDBSA-N 0 0 320.437 0.922 50 0 DCAARN COc1cc(NC(=O)Cn2cnc3ccccc3c2=O)ncn1 ZINC000075166460 415442821 /nfs/dbraw/zinc/44/28/21/415442821.db2.gz KWVSSHDCKNDWFB-UHFFFAOYSA-N 0 0 311.301 0.834 50 0 DCAARN COCCCNC(=O)CCn1nc(C)c2c(C)onc2c1=O ZINC000075403120 415445226 /nfs/dbraw/zinc/44/52/26/415445226.db2.gz PMNTUOUMMOFLFS-UHFFFAOYSA-N 0 0 308.338 0.544 50 0 DCAARN NS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000076082803 415452439 /nfs/dbraw/zinc/45/24/39/415452439.db2.gz VNRVETVBUQRRCA-DTWKUNHWSA-N 0 0 304.318 0.473 50 0 DCAARN C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000089937867 415526416 /nfs/dbraw/zinc/52/64/16/415526416.db2.gz QZTKECFGRSZEQT-ZIAGYGMSSA-N 0 0 303.410 0.856 50 0 DCAARN CCCc1nnc(N2CCN(CCN3CCOCC3)CC2)o1 ZINC000095352446 415549137 /nfs/dbraw/zinc/54/91/37/415549137.db2.gz KYPIBWNAADUNKO-UHFFFAOYSA-N 0 0 309.414 0.476 50 0 DCAARN CCc1ncc(C(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cn1 ZINC000095361457 415553908 /nfs/dbraw/zinc/55/39/08/415553908.db2.gz MSUUTTWPMVNVLC-ZDUSSCGKSA-N 0 0 318.377 0.502 50 0 DCAARN COCCc1noc(CN2CCC3(CC2)OCCC[C@H]3O)n1 ZINC000095380698 415556409 /nfs/dbraw/zinc/55/64/09/415556409.db2.gz VHEXQYBKCITUMD-GFCCVEGCSA-N 0 0 311.382 0.764 50 0 DCAARN CSCc1nc(CNC(=O)CN2C(=O)CNC2=O)cs1 ZINC000095385304 415558335 /nfs/dbraw/zinc/55/83/35/415558335.db2.gz WFBMKJNKNJZYMQ-UHFFFAOYSA-N 0 0 314.392 0.174 50 0 DCAARN CCC(=O)N1CCC[C@@H](C(=O)NCc2nnc3n2CCCC3)C1 ZINC000095379745 415559766 /nfs/dbraw/zinc/55/97/66/415559766.db2.gz QKYXNDQMEIFGES-GFCCVEGCSA-N 0 0 319.409 0.879 50 0 DCAARN COCc1nnc(NC(=O)CCn2c(C)cc(O)cc2=O)s1 ZINC000095476626 415562279 /nfs/dbraw/zinc/56/22/79/415562279.db2.gz NKYRVJRYROLJFK-UHFFFAOYSA-N 0 0 324.362 0.889 50 0 DCAARN COCCN(C(=O)CN(C)c1ncnc2nc[nH]c21)C1CC1 ZINC000095954262 415565513 /nfs/dbraw/zinc/56/55/13/415565513.db2.gz QXROYGZIBYKCFG-UHFFFAOYSA-N 0 0 304.354 0.427 50 0 DCAARN Cc1nnc(CCNC(=O)Nc2ccc(S(C)(=O)=O)cc2)[nH]1 ZINC000095504284 415565633 /nfs/dbraw/zinc/56/56/33/415565633.db2.gz JMZNEMCCCJWMIP-UHFFFAOYSA-N 0 0 323.378 0.881 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1CCC(=O)c1ccccc1 ZINC000095992415 415569509 /nfs/dbraw/zinc/56/95/09/415569509.db2.gz HRKWSJZKFDEXBK-CYBMUJFWSA-N 0 0 304.346 0.623 50 0 DCAARN CN(C)C(=O)[C@H](Cc1ccccc1)Nc1ccc2nnnn2n1 ZINC000095975499 415569831 /nfs/dbraw/zinc/56/98/31/415569831.db2.gz UVOGRXXVVFZTQG-LBPRGKRZSA-N 0 0 311.349 0.631 50 0 DCAARN COCCNc1nc2nc(=O)n(Cc3ccco3)c(=O)c-2c[nH]1 ZINC000102911223 415603569 /nfs/dbraw/zinc/60/35/69/415603569.db2.gz PBZKJAWSOPKQOC-UHFFFAOYSA-N 0 0 317.305 0.179 50 0 DCAARN C/C=C\Cn1c(=O)c2c(nc3n2[C@@H](C)C(C)N=N3)n(C)c1=O ZINC000103406928 415616990 /nfs/dbraw/zinc/61/69/90/415616990.db2.gz JVIRTACXWPQCCW-UDIARPCQSA-N 0 0 302.338 0.835 50 0 DCAARN Cc1noc([C@H]2CCCN(CC(=O)N3CCO[C@@H](C)C3)C2)n1 ZINC000106827943 415648061 /nfs/dbraw/zinc/64/80/61/415648061.db2.gz DRDBOMQNAOBIOU-AAEUAGOBSA-N 0 0 308.382 0.805 50 0 DCAARN COc1ccc(C(=O)NCCc2ccc[nH]2)cc1-n1cnnn1 ZINC000097081775 415581263 /nfs/dbraw/zinc/58/12/63/415581263.db2.gz LOESELMUSHKKSJ-UHFFFAOYSA-N 0 0 312.333 0.972 50 0 DCAARN NC(=O)CN1CCN(Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000097084269 415582891 /nfs/dbraw/zinc/58/28/91/415582891.db2.gz NAGONIVVYODPPF-UHFFFAOYSA-N 0 0 309.797 0.878 50 0 DCAARN CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000097117487 415585768 /nfs/dbraw/zinc/58/57/68/415585768.db2.gz TXAULBSEJQHXAP-MRVPVSSYSA-N 0 0 305.256 0.926 50 0 DCAARN C[C@H]1COCCN1CCNc1cc(N2CCC[C@H]2CO)ncn1 ZINC000106906039 415652236 /nfs/dbraw/zinc/65/22/36/415652236.db2.gz SGMXDLWMCRAGGB-KBPBESRZSA-N 0 0 321.425 0.570 50 0 DCAARN C[C@@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000107353527 415668186 /nfs/dbraw/zinc/66/81/86/415668186.db2.gz XIEASSRDCIKGFP-OCCSQVGLSA-N 0 0 310.419 0.983 50 0 DCAARN CC(C)(C)S(=O)(=O)CC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000153815274 415987886 /nfs/dbraw/zinc/98/78/86/415987886.db2.gz WKXPQAQNBNLDIO-JTQLQIEISA-N 0 0 317.329 0.725 50 0 DCAARN CN1C(=O)C[C@@H](NS(N)(=O)=O)[C@H]1c1ccc(Cl)cc1 ZINC000156028011 415997694 /nfs/dbraw/zinc/99/76/94/415997694.db2.gz NBPFVRFEEPBXIU-MWLCHTKSSA-N 0 0 303.771 0.405 50 0 DCAARN O=C(CCCn1cnnn1)N1CCN(C2CCCC2)C(=O)C1 ZINC000299758013 416063882 /nfs/dbraw/zinc/06/38/82/416063882.db2.gz JTQVKQPRLJCLRC-UHFFFAOYSA-N 0 0 306.370 0.067 50 0 DCAARN O=C(COC[C@@H]1CCCO1)NCCc1noc(C(F)(F)F)n1 ZINC000299801876 416070593 /nfs/dbraw/zinc/07/05/93/416070593.db2.gz QOKLZYCRGRJGGJ-QMMMGPOBSA-N 0 0 323.271 0.943 50 0 DCAARN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@H](C)O ZINC000170591360 416027152 /nfs/dbraw/zinc/02/71/52/416027152.db2.gz SCPZWGUZTLTICW-VIFPVBQESA-N 0 0 307.393 0.058 50 0 DCAARN C[C@@H]1CN(C(=O)C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])CCO1 ZINC000246875134 416332372 /nfs/dbraw/zinc/33/23/72/416332372.db2.gz VGFOPBSIEGEPAI-SYQHCUMBSA-N 0 0 310.394 0.951 50 0 DCAARN NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1nn2c(nccc2=O)s1 ZINC000252452452 416334655 /nfs/dbraw/zinc/33/46/55/416334655.db2.gz JKWXXCOEQMSREW-AEJSXWLSSA-N 0 0 319.390 0.774 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1scc2c1OCCO2 ZINC000215395096 416326966 /nfs/dbraw/zinc/32/69/66/416326966.db2.gz GKHOJCPFZZAOFF-QMMMGPOBSA-N 0 0 317.388 0.684 50 0 DCAARN O=S1(=O)CCN(Cc2cnc(N3CCCC3)s2)CC1 ZINC000215574431 416327146 /nfs/dbraw/zinc/32/71/46/416327146.db2.gz VXFBEIFHWWVSOI-UHFFFAOYSA-N 0 0 301.437 0.974 50 0 DCAARN CN(Cc1cnc(N(C)CC(=O)[O-])nc1)C[C@H]1CCCC[N@@H+]1C ZINC000216241974 416327447 /nfs/dbraw/zinc/32/74/47/416327447.db2.gz PKMVJIFKCZEPEK-CQSZACIVSA-N 0 0 321.425 0.914 50 0 DCAARN O=C(CCn1cnc2ccccc2c1=O)N1CC(n2ccnn2)C1 ZINC000225692704 416327787 /nfs/dbraw/zinc/32/77/87/416327787.db2.gz GRUZJKMKINVYBZ-UHFFFAOYSA-N 0 0 324.344 0.462 50 0 DCAARN O=C(CN1CCC2(CNC(=O)O2)CC1)NCc1cccs1 ZINC000241081873 416329955 /nfs/dbraw/zinc/32/99/55/416329955.db2.gz YRUNWUHFAFKFDD-UHFFFAOYSA-N 0 0 309.391 0.939 50 0 DCAARN CSC[C@H](C)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000241287489 416330037 /nfs/dbraw/zinc/33/00/37/416330037.db2.gz LLWQHYUCNDSJHH-GARJFASQSA-N 0 0 308.469 0.820 50 0 DCAARN CCCN(C)S(=O)(=O)NC1CCN(c2nccn2C)CC1 ZINC000241287532 416330205 /nfs/dbraw/zinc/33/02/05/416330205.db2.gz LMHYQHFJNWAUBW-UHFFFAOYSA-N 0 0 315.443 0.565 50 0 DCAARN CN(C)S(=O)(=O)NCC(=O)N[C@H]1CCOc2ccccc21 ZINC000239475451 416330207 /nfs/dbraw/zinc/33/02/07/416330207.db2.gz AOKITJZTSZKDMK-NSHDSACASA-N 0 0 313.379 0.022 50 0 DCAARN COCCN1C[C@H](C(=O)N2Cc3cnc(C)cc3C2)CC1=O ZINC000244724401 416330825 /nfs/dbraw/zinc/33/08/25/416330825.db2.gz MTCZAZSIDOMKKF-CYBMUJFWSA-N 0 0 303.362 0.727 50 0 DCAARN Cc1nc([C@@H]2CCCN(CC(=O)Nc3cnn(C)c3C)C2)n[nH]1 ZINC000244724010 416330847 /nfs/dbraw/zinc/33/08/47/416330847.db2.gz MLZRAYNHYXRWQR-GFCCVEGCSA-N 0 0 317.397 0.973 50 0 DCAARN COCCN1C[C@H](CNC(=O)c2ccc(C)nc2C)CC1=O ZINC000244773692 416330971 /nfs/dbraw/zinc/33/09/71/416330971.db2.gz PERIYOLOTUHSLA-ZDUSSCGKSA-N 0 0 305.378 0.923 50 0 DCAARN COc1ccc(O)c(C(=O)N[C@@H]2CCN(C(C)=O)C[C@H]2O)c1 ZINC000244707870 416330980 /nfs/dbraw/zinc/33/09/80/416330980.db2.gz KJAGPYRGRDNKOQ-TZMCWYRMSA-N 0 0 308.334 0.112 50 0 DCAARN CS(=O)(=O)NCCC(=O)NCc1ccccc1-n1ccnc1 ZINC000244778637 416331047 /nfs/dbraw/zinc/33/10/47/416331047.db2.gz PUBHTLSTRJYEPR-UHFFFAOYSA-N 0 0 322.390 0.428 50 0 DCAARN CCOc1ccnc(N2CCCN([C@H]3CCN(C)C3=O)CC2)n1 ZINC000246566904 416332081 /nfs/dbraw/zinc/33/20/81/416332081.db2.gz BONCJZJQPFTJAD-ZDUSSCGKSA-N 0 0 319.409 0.618 50 0 DCAARN Cc1nnc(CNc2ccnc(N3CCOCC3)n2)n1C1CC1 ZINC000361054948 416420122 /nfs/dbraw/zinc/42/01/22/416420122.db2.gz DLLJAUBAIHSSPB-UHFFFAOYSA-N 0 0 315.381 1.160 50 0 DCAARN Nc1ncc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)s1 ZINC000584884689 416516014 /nfs/dbraw/zinc/51/60/14/416516014.db2.gz WLNDLCZUOYPEMA-VIFPVBQESA-N 0 0 304.379 0.914 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000585115337 416518996 /nfs/dbraw/zinc/51/89/96/416518996.db2.gz WYRQEHXOLDLICU-POZPLHJXSA-N 0 0 314.411 0.323 50 0 DCAARN O=C(NC[C@H](O)CN1CCOCC1)C1(Nc2ccccc2)CC1 ZINC000585130952 416519400 /nfs/dbraw/zinc/51/94/00/416519400.db2.gz GYJLRNLISSZJRZ-HNNXBMFYSA-N 0 0 319.405 0.440 50 0 DCAARN CCSCCNc1cc([C@@H]2CCOC2)nc(N2CC(O)C2)n1 ZINC000426550717 416774049 /nfs/dbraw/zinc/77/40/49/416774049.db2.gz ZOEHOACOWAYDMY-LLVKDONJSA-N 0 0 324.450 1.326 50 0 DCAARN CC(C)c1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[N@H+](C)C2)nc(N)n1 ZINC000215745712 545937190 /nfs/dbraw/zinc/93/71/90/545937190.db2.gz HFXOJLMQTKAZIJ-KWQFWETISA-N 0 0 307.354 0.069 50 0 DCAARN Cc1ccc(/C=C\C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)o1 ZINC000492225695 287572363 /nfs/dbraw/zinc/57/23/63/287572363.db2.gz KHBVSVMZYSQFIF-FJOGCWAESA-N 0 0 312.391 0.999 50 0 DCAARN O=C([C@@H]1COc2ccccc2O1)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000299566841 229218070 /nfs/dbraw/zinc/21/80/70/229218070.db2.gz SVVFBAXACJMRND-GWCFXTLKSA-N 0 0 316.313 0.233 50 0 DCAARN O=C(CN1C(=O)CNC1=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000299794101 229453939 /nfs/dbraw/zinc/45/39/39/229453939.db2.gz JCQGRCLJXGIISM-LBPRGKRZSA-N 0 0 303.318 0.218 50 0 DCAARN COc1cc2c(cc1CNC(=O)CNC(=O)N(C)C)OCCO2 ZINC000299796212 229455023 /nfs/dbraw/zinc/45/50/23/229455023.db2.gz NRKMCVVTGBSDGZ-UHFFFAOYSA-N 0 0 323.349 0.354 50 0 DCAARN CCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000005147979 273614864 /nfs/dbraw/zinc/61/48/64/273614864.db2.gz RHJDQTAPUSSODC-SECBINFHSA-N 0 0 304.354 0.601 50 0 DCAARN CC(=O)Nc1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000032912718 277077301 /nfs/dbraw/zinc/07/73/01/277077301.db2.gz JGNBFIYVMHNRBF-ZWNOBZJWSA-N 0 0 308.359 0.795 50 0 DCAARN CC(=O)[C@H](C)n1c(=O)c2c(nc3n(C)c(C)c(C)n32)n(C)c1=O ZINC000004314498 277098243 /nfs/dbraw/zinc/09/82/43/277098243.db2.gz ZERSFTGRSPPCRT-VIFPVBQESA-N 0 0 317.349 0.453 50 0 DCAARN CC(C)(CN1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 ZINC000097033994 277299237 /nfs/dbraw/zinc/29/92/37/277299237.db2.gz PWCDIFIBTOUGQD-CQSZACIVSA-N 0 0 301.390 0.607 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@]2(C)NN1 ZINC000004897983 277311343 /nfs/dbraw/zinc/31/13/43/277311343.db2.gz MJVRDYGXWVKTPB-XPTSAGLGSA-N 0 0 321.720 0.720 50 0 DCAARN COCCN1CCN(CC(=O)Nc2nc(C)c(C)s2)CC1 ZINC000069628042 277525255 /nfs/dbraw/zinc/52/52/55/277525255.db2.gz XYSOMCWMZIGFAC-UHFFFAOYSA-N 0 0 312.439 0.962 50 0 DCAARN CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CC[NH+](C1CCOCC1)CC2 ZINC000091713179 277981309 /nfs/dbraw/zinc/98/13/09/277981309.db2.gz ZFZGVYHKGZOBBA-CQSZACIVSA-N 0 0 310.394 0.953 50 0 DCAARN CC(C)c1cc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)nc2ncnn21 ZINC000091713732 278015432 /nfs/dbraw/zinc/01/54/32/278015432.db2.gz DZGLFMJWFDQMAN-SECBINFHSA-N 0 0 321.362 0.288 50 0 DCAARN CC(=O)N[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H]1COC(C)(C)O1 ZINC000025627765 278151893 /nfs/dbraw/zinc/15/18/93/278151893.db2.gz ARBXTIYDTCGPSN-PREPNJAASA-N 0 0 301.339 0.519 50 0 DCAARN CC(=O)OC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]21 ZINC000169683054 278219139 /nfs/dbraw/zinc/21/91/39/278219139.db2.gz PHWOTSJWWWEKMS-VSSNEEPJSA-N 0 0 302.323 0.946 50 0 biogenic DCAARN CC(=O)O[C@H]1[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000004262412 278222292 /nfs/dbraw/zinc/22/22/92/278222292.db2.gz QZKDRLZSJSWQPS-RMPHRYRLSA-N 0 0 302.323 0.946 50 0 DCAARN CC(C)(C)N1C[C@@H](C(=O)NC2(C(N)=O)CCCCC2)CC1=O ZINC000340283716 278348816 /nfs/dbraw/zinc/34/88/16/278348816.db2.gz OUAKJNKJGHVQJR-NSHDSACASA-N 0 0 309.410 0.938 50 0 DCAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCS(C)(=O)=O ZINC000053298318 278394846 /nfs/dbraw/zinc/39/48/46/278394846.db2.gz YVVOOKDVLPEVTE-JTQLQIEISA-N 0 0 320.411 0.547 50 0 DCAARN Cc1c(C(=O)N2CCN(C)C[C@@H]2C)cnn1-c1ccc(=O)[nH]n1 ZINC000089544863 280207280 /nfs/dbraw/zinc/20/72/80/280207280.db2.gz YWGODLODEQKVLV-JTQLQIEISA-N 0 0 316.365 0.040 50 0 DCAARN Cc1cccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 ZINC000000093471 281230678 /nfs/dbraw/zinc/23/06/78/281230678.db2.gz WPXNMTZIMMHWCK-UHFFFAOYSA-N 0 0 311.345 0.894 50 0 DCAARN C[NH+]1CCN(c2ccc(C(=O)[O-])cc2NS(C)(=O)=O)CC1 ZINC000032961723 290057185 /nfs/dbraw/zinc/05/71/85/290057185.db2.gz BOTLKYIFUWQCIS-UHFFFAOYSA-N 0 0 313.379 0.508 50 0 DCAARN CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2C(=O)[C@H]1OC(C)=O ZINC000004375868 293980709 /nfs/dbraw/zinc/98/07/09/293980709.db2.gz IVBCSEQLWLYHDX-CSOUEMRRSA-N 0 0 322.313 0.973 50 0 DCAARN Cn1c(=O)c2sc3c(c2n(CC(N)=O)c1=O)COC(C)(C)C3 ZINC000006760604 294139110 /nfs/dbraw/zinc/13/91/10/294139110.db2.gz IUEDKRTUDIUOJD-UHFFFAOYSA-N 0 0 323.374 0.098 50 0 DCAARN NC(=O)Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3 ZINC000001427140 295061000 /nfs/dbraw/zinc/06/10/00/295061000.db2.gz PDAJWNJORLHCBV-UHFFFAOYSA-N 0 0 300.343 0.942 50 0 DCAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ncccc1O ZINC000103597209 295493899 /nfs/dbraw/zinc/49/38/99/295493899.db2.gz ASDKYPKKWGVKQL-AOOOYVTPSA-N 0 0 301.302 0.677 50 0 DCAARN Cc1cnc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cn1 ZINC000071826896 302334424 /nfs/dbraw/zinc/33/44/24/302334424.db2.gz FPJCOIWPXPXUIL-LBPRGKRZSA-N 0 0 316.336 0.998 50 0 DCAARN Cn1cc([C@@H]2C[C@H]2C(=O)N2CCN(CC(C)(C)O)CC2)cn1 ZINC000069844772 302927810 /nfs/dbraw/zinc/92/78/10/302927810.db2.gz ZBRQCBHYTWMNIG-UONOGXRCSA-N 0 0 306.410 0.439 50 0 DCAARN O=C(NN1CCOCC1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 ZINC000005519225 303816752 /nfs/dbraw/zinc/81/67/52/303816752.db2.gz UNTAXMFJCYVDKL-SWLSCSKDSA-N 0 0 319.386 0.620 50 0 DCAARN O=C(c1cc2ncc(Br)cn2n1)N1CCOCC1 ZINC000000058646 331458695 /nfs/dbraw/zinc/45/86/95/331458695.db2.gz PZYUJIUSALQNPF-UHFFFAOYSA-N 0 0 311.139 0.964 50 0 DCAARN Cc1nc2ccccc2c(=O)n1CCCC(=O)N(C)CC(N)=O ZINC000065512953 331878127 /nfs/dbraw/zinc/87/81/27/331878127.db2.gz QRKRHXSXWBDSHQ-UHFFFAOYSA-N 0 0 316.361 0.429 50 0 DCAARN CCn1ncc(CNS(=O)(=O)N2CCC[C@@H]2COC)c1C ZINC000534584162 334288938 /nfs/dbraw/zinc/28/89/38/334288938.db2.gz NVJKHPLICOUHEV-CYBMUJFWSA-N 0 0 316.427 0.657 50 0 DCAARN CCn1ncc(CNS(=O)(=O)N2CCC[C@H]2COC)c1C ZINC000534584163 334288992 /nfs/dbraw/zinc/28/89/92/334288992.db2.gz NVJKHPLICOUHEV-ZDUSSCGKSA-N 0 0 316.427 0.657 50 0 DCAARN NC(=O)c1nc(CNC(=O)c2cnc3c(c2)CCCC3)no1 ZINC000534586344 334292183 /nfs/dbraw/zinc/29/21/83/334292183.db2.gz GVPWHSJEFVPQFG-UHFFFAOYSA-N 0 0 301.306 0.372 50 0 DCAARN COC[C@H]1CCCN1S(=O)(=O)NCc1cc(C2CC2)on1 ZINC000534593350 334294887 /nfs/dbraw/zinc/29/48/87/334294887.db2.gz CMLNPURSIYCRPY-GFCCVEGCSA-N 0 0 315.395 0.997 50 0 DCAARN CN1CCO[C@@H](CNC(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000534634224 334308637 /nfs/dbraw/zinc/30/86/37/334308637.db2.gz HJSQWRVVPHQYCT-AWEZNQCLSA-N 0 0 301.350 0.328 50 0 DCAARN Cc1nnnn1Cc1ccc(C(=O)NCCn2ccnn2)cc1 ZINC000534634814 334308757 /nfs/dbraw/zinc/30/87/57/334308757.db2.gz HMVQIXDNNISQNN-UHFFFAOYSA-N 0 0 312.337 0.051 50 0 DCAARN CCO[C@H]1COC[C@@H]1NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000534639359 334310503 /nfs/dbraw/zinc/31/05/03/334310503.db2.gz XFBUCEIAFMUUNO-AAEUAGOBSA-N 0 0 306.318 0.551 50 0 DCAARN Cc1cccc(CC(=O)N[C@H]2COC[C@@H]2N2CCN(C)CC2)c1 ZINC000534639454 334310582 /nfs/dbraw/zinc/31/05/82/334310582.db2.gz YYHXKMMFLWHZLI-IRXDYDNUSA-N 0 0 317.433 0.669 50 0 DCAARN CC(C)C[C@H](NC(=O)N1CCNC(=O)CC1)c1ncnn1C ZINC000534659323 334315319 /nfs/dbraw/zinc/31/53/19/334315319.db2.gz HWTBHAPRALQYLE-NSHDSACASA-N 0 0 308.386 0.434 50 0 DCAARN Cc1nc(C)n(CCCNC(=O)N2CCN3C(=O)OC[C@@H]3C2)n1 ZINC000534647225 334315747 /nfs/dbraw/zinc/31/57/47/334315747.db2.gz ACLDWYGFCOMJTN-LBPRGKRZSA-N 0 0 322.369 0.131 50 0 DCAARN CCc1nc(S(=O)(=O)N[C@H]2CCCN(C(C)=O)C2)c[nH]1 ZINC000534662180 334322303 /nfs/dbraw/zinc/32/23/03/334322303.db2.gz SAFBNPAQYWTGPJ-JTQLQIEISA-N 0 0 300.384 0.261 50 0 DCAARN C=CC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000328597920 526915652 /nfs/dbraw/zinc/91/56/52/526915652.db2.gz JJLWNSAWQXXDSA-UHFFFAOYSA-N 0 0 304.375 0.586 50 0 DCAARN CC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3nc[nH]n3)CC2)c1C ZINC000299754858 527155500 /nfs/dbraw/zinc/15/55/00/527155500.db2.gz AGHQTFQPLAZSJO-UHFFFAOYSA-N 0 0 316.365 0.915 50 0 DCAARN CCCc1nc(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cs1 ZINC000299759470 528693641 /nfs/dbraw/zinc/69/36/41/528693641.db2.gz SDDBNXPDGDDVTE-SECBINFHSA-N 0 0 317.436 0.846 50 0 DCAARN CCOc1cccc2[nH]cc(CC(=O)N[C@@H]3COC[C@H]3O)c21 ZINC000296852987 528696692 /nfs/dbraw/zinc/69/66/92/528696692.db2.gz HRNFVRCRYRTQSW-CHWSQXEVSA-N 0 0 304.346 0.985 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)N1CCN(c2ccccc2F)CC1 ZINC000057289945 536325661 /nfs/dbraw/zinc/32/56/61/536325661.db2.gz OAVVZGAATRCYHC-NSHDSACASA-N 0 0 308.357 0.792 50 0 DCAARN COC(=O)c1ccc(NC(=O)COCc2ccnn2C)nc1 ZINC000283805245 536744140 /nfs/dbraw/zinc/74/41/40/536744140.db2.gz AHKVGFKPBRKNLC-UHFFFAOYSA-N 0 0 304.306 0.757 50 0 DCAARN CCn1c(=O)c(=O)n(CC(=O)N2CCCCC2)c2cccnc21 ZINC000035449678 545644815 /nfs/dbraw/zinc/64/48/15/545644815.db2.gz RAWBTQBCJKNNQC-UHFFFAOYSA-N 0 0 316.361 0.591 50 0 DCAARN Cn1cc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)cn1 ZINC000084318555 545700073 /nfs/dbraw/zinc/70/00/73/545700073.db2.gz JCHCDJMLKBQOES-UHFFFAOYSA-N 0 0 307.317 0.759 50 0 DCAARN CCCn1nc2c(cc1=O)CN(Cc1nnnn1C1CC1)CC2 ZINC000084759102 545703692 /nfs/dbraw/zinc/70/36/92/545703692.db2.gz ZODFBJKLKKSXLM-UHFFFAOYSA-N 0 0 315.381 0.533 50 0 DCAARN O=C(Cc1c[nH]c2ccccc12)NCCc1noc(CO)n1 ZINC000215760032 545937865 /nfs/dbraw/zinc/93/78/65/545937865.db2.gz AGSDUPGTHUKSSC-UHFFFAOYSA-N 0 0 300.318 0.945 50 0 DCAARN CCc1nc(C)c(CC(=O)N[C@H](CC)c2ncnn2C)c(=O)[nH]1 ZINC000218818822 545939787 /nfs/dbraw/zinc/93/97/87/545939787.db2.gz JTKDIRRUXPGCQD-LLVKDONJSA-N 0 0 318.381 0.579 50 0 DCAARN CC(C)[C@H](CO)NC(=O)COc1ccc(-c2nnn(C)n2)cc1 ZINC000575443099 546298948 /nfs/dbraw/zinc/29/89/48/546298948.db2.gz HENIZALHBBDUMS-ZDUSSCGKSA-N 0 0 319.365 0.389 50 0 DCAARN COCCn1cnnc1CNS(=O)(=O)N1CCCCCC1 ZINC000670438225 547091014 /nfs/dbraw/zinc/09/10/14/547091014.db2.gz KINFZUGEGUKIKN-UHFFFAOYSA-N 0 0 317.415 0.135 50 0 DCAARN CN1C(=O)[C@H]2CN(C(=O)CN3Cc4ccccc4C3)C[C@H]2C1=O ZINC000670450475 547095746 /nfs/dbraw/zinc/09/57/46/547095746.db2.gz ZOUPXGYXYDZDSO-OKILXGFUSA-N 0 0 313.357 0.075 50 0 DCAARN CN(C)C(=O)CN1CCCN(C(=O)C[C@H]2CCCOC2)CC1 ZINC000670474333 547103016 /nfs/dbraw/zinc/10/30/16/547103016.db2.gz IKSXGVGIYBIRLK-CQSZACIVSA-N 0 0 311.426 0.426 50 0 DCAARN CCc1cc(N2CC(N3C[C@H](C(=O)N(C)C)CC3=O)C2)ncn1 ZINC000685941113 548746651 /nfs/dbraw/zinc/74/66/51/548746651.db2.gz RQFVHYGHAFEBOU-LLVKDONJSA-N 0 0 317.393 0.164 50 0 DCAARN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C3(F)CCCC3)C2)C1 ZINC000685941632 548747145 /nfs/dbraw/zinc/74/71/45/548747145.db2.gz FDBTWUWKVFJASU-JTQLQIEISA-N 0 0 311.357 0.074 50 0 DCAARN COc1cncc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)c1C ZINC000685943114 548747621 /nfs/dbraw/zinc/74/76/21/548747621.db2.gz WFGDMHFTDARBHY-GXTWGEPZSA-N 0 0 318.333 0.698 50 0 DCAARN CCOC1(C(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)CCC1 ZINC000685942930 548748356 /nfs/dbraw/zinc/74/83/56/548748356.db2.gz UOJDGSABRPPEGB-YNEHKIRRSA-N 0 0 322.409 0.745 50 0 DCAARN COC[C@H]1CN(C(=O)NCCN=S(C)(C)=O)C[C@@H](C)O1 ZINC000888097044 661175790 /nfs/dbraw/zinc/17/57/90/661175790.db2.gz ZLLQEKDOMMUROM-GHMZBOCLSA-N 0 0 307.416 0.159 50 0 DCAARN O=C(CCCn1cncn1)N1CCN(C(=O)c2ccco2)CC1 ZINC000054126172 661275373 /nfs/dbraw/zinc/27/53/73/661275373.db2.gz QFFQYJYIIZEMJU-UHFFFAOYSA-N 0 0 317.349 0.636 50 0 DCAARN CC(C)c1nnc(Cn2ncc(N3CCOCC3)cc2=O)o1 ZINC000023215140 658863345 /nfs/dbraw/zinc/86/33/45/658863345.db2.gz MQFVCOQPFCBYJZ-UHFFFAOYSA-N 0 0 305.338 0.635 50 0 DCAARN CN(CCN1CCOCC1)C(=O)c1ccccc1-n1ccnn1 ZINC000182603540 665856796 /nfs/dbraw/zinc/85/67/96/665856796.db2.gz DDNLNTDWTOYQBD-UHFFFAOYSA-N 0 0 315.377 0.672 50 0 DCAARN CN(CC(=O)N1CCC(=O)C[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000585086109 662948232 /nfs/dbraw/zinc/94/82/32/662948232.db2.gz UJGWIWDOLHLWFP-CQSZACIVSA-N 0 0 324.402 0.811 50 0 DCAARN CN1CC[C@@H](c2nc(Cc3ccc(F)cn3)no2)S1(=O)=O ZINC000351343978 664808210 /nfs/dbraw/zinc/80/82/10/664808210.db2.gz BHPJBZORCPPHII-JTQLQIEISA-N 0 0 312.326 0.901 50 0 DCAARN CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)o1 ZINC000112650575 668141223 /nfs/dbraw/zinc/14/12/23/668141223.db2.gz DVQXNCMBYUSDFF-SECBINFHSA-N 0 0 324.362 0.161 50 0 DCAARN O[C@@]1(c2cn[nH]n2)CCN(c2ncnc3ccc(F)cc32)C1 ZINC000793992869 669764225 /nfs/dbraw/zinc/76/42/25/669764225.db2.gz QEXQLYHYIQTITP-AWEZNQCLSA-N 0 0 300.297 0.985 50 0 DCAARN O=C(CCN1CCCCCC1=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000952974686 685600069 /nfs/dbraw/zinc/60/00/69/685600069.db2.gz MVWLTWRORPRETF-LBPRGKRZSA-N 0 0 309.366 0.442 50 0 DCAARN Cc1ccc(C)c(CN2CCN3C(=O)[C@@H](C)NC(=O)[C@H]3C2)c1 ZINC000014541829 685047707 /nfs/dbraw/zinc/04/77/07/685047707.db2.gz XYPGMQGEHGHTQI-UKRRQHHQSA-N 0 0 301.390 0.835 50 0 DCAARN Nc1nnc(CCCNc2nccc(N3CC[C@@H](O)C3)n2)s1 ZINC000065395610 685063600 /nfs/dbraw/zinc/06/36/00/685063600.db2.gz QIPKEMUKDNCYRG-SECBINFHSA-N 0 0 321.410 0.526 50 0 DCAARN CC(C)N1CCN(C(=O)c2cc(CN3CCOCC3)on2)CC1 ZINC000067804969 685069486 /nfs/dbraw/zinc/06/94/86/685069486.db2.gz UYCMZBNHXAOJGC-UHFFFAOYSA-N 0 0 322.409 0.673 50 0 DCAARN COc1cc2c(cc1CN1CC[NH2+][C@H](C(=O)[O-])C1)OCCCO2 ZINC000071730421 685073008 /nfs/dbraw/zinc/07/30/08/685073008.db2.gz FMTOZZLLUWOEOE-LBPRGKRZSA-N 0 0 322.361 0.715 50 0 DCAARN Cc1nccc(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)n1 ZINC000084210331 685086785 /nfs/dbraw/zinc/08/67/85/685086785.db2.gz ZIASUZCEKNOQJR-CYBMUJFWSA-N 0 0 306.366 0.398 50 0 DCAARN CC(C)(C[N@@H+]1C[C@@H]2COCC[C@]2(C(=O)[O-])C1)N1CCOCC1 ZINC001772707804 1157844746 /nfs/dbraw/zinc/84/47/46/1157844746.db2.gz WKXSNWJYMUGQFS-CJNGLKHVSA-N 0 0 312.410 0.520 50 0 DCAARN COCCC(=O)N1CCCN(C(=O)CCn2nccc2C)CC1 ZINC001772710152 1157848019 /nfs/dbraw/zinc/84/80/19/1157848019.db2.gz OSYZWRPMZNCKTJ-UHFFFAOYSA-N 0 0 322.409 0.679 50 0 DCAARN CCc1cnc(N2CCC3(CC2)C[C@](O)(CO)CCO3)nc1 ZINC001704302860 1179965895 /nfs/dbraw/zinc/96/58/95/1179965895.db2.gz CKBYRIHRQMBBPG-HNNXBMFYSA-N 0 0 307.394 0.912 50 0 DCAARN CCC[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(=O)[nH]c(C)n2)C[C@@H]1O ZINC001704303420 1179966362 /nfs/dbraw/zinc/96/63/62/1179966362.db2.gz IODWMTPXNUQILK-WFASDCNBSA-N 0 0 309.366 0.928 50 0 DCAARN Cc1ccnc(SCC(=O)N(CCO)Cc2ncc[nH]2)n1 ZINC001704308866 1179967956 /nfs/dbraw/zinc/96/79/56/1179967956.db2.gz SLEOUHJDKGHHPX-UHFFFAOYSA-N 0 0 307.379 0.621 50 0 DCAARN Cc1ccnc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)n1 ZINC001704325525 1179974103 /nfs/dbraw/zinc/97/41/03/1179974103.db2.gz OFTCLKFOSGSHRF-WDEREUQCSA-N 0 0 300.384 0.103 50 0 DCAARN CC[C@@]1(O)CCC[C@@H]2CN(C(=O)Cn3cccnc3=O)C[C@@H]21 ZINC001704336245 1179977275 /nfs/dbraw/zinc/97/72/75/1179977275.db2.gz WSBNFXZGZOUCEW-DVOMOZLQSA-N 0 0 305.378 0.643 50 0 DCAARN Cc1cc(=O)cc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)[nH]1 ZINC001704337452 1179978026 /nfs/dbraw/zinc/97/80/26/1179978026.db2.gz ZPYSVVMPVIXFQM-IAQYHMDHSA-N 0 0 314.345 0.149 50 0 DCAARN Cc1nc(N)nc(N2C[C@@H](Cc3cnccn3)[C@H](O)C2)c1Cl ZINC001704343606 1179980449 /nfs/dbraw/zinc/98/04/49/1179980449.db2.gz KCKHZTMWVIHACX-MWLCHTKSSA-N 0 0 320.784 0.850 50 0 DCAARN O=C([C@H]1COc2ccccc2O1)N1CC(Nc2cnccn2)C1 ZINC000675007590 748024573 /nfs/dbraw/zinc/02/45/73/748024573.db2.gz PZBQEZACARMGKB-CQSZACIVSA-N 0 0 312.329 0.939 50 0 DCAARN Cn1nc(C(=O)N2CCOCC2)c2c1CN(C(=O)CC1CC1)C2 ZINC000675010117 748025646 /nfs/dbraw/zinc/02/56/46/748025646.db2.gz HXHBXDFJHWNKAF-UHFFFAOYSA-N 0 0 318.377 0.535 50 0 DCAARN C[C@@H](NS(=O)(=O)N(C)Cc1ccccc1)c1ncnn1C ZINC000822280191 758190175 /nfs/dbraw/zinc/19/01/75/758190175.db2.gz MHIOXQJYCHUSKE-LLVKDONJSA-N 0 0 309.395 0.843 50 0 DCAARN CCN(Cc1cnn(CC)c1)C(=O)NCc1nc(C(N)=O)no1 ZINC000823056101 758221609 /nfs/dbraw/zinc/22/16/09/758221609.db2.gz KFMGZLJHVGLJJE-UHFFFAOYSA-N 0 0 321.341 0.117 50 0 DCAARN CCn1ncnc1CN1CCC(CNC(=O)[C@H]2CCOC2)CC1 ZINC000823609721 758255608 /nfs/dbraw/zinc/25/56/08/758255608.db2.gz JMPMULLUGZRHOV-AWEZNQCLSA-N 0 0 321.425 0.663 50 0 DCAARN COC[C@@H]1CCCN1S(=O)(=O)N(C)Cc1cnn(C)c1C ZINC000824371076 758772178 /nfs/dbraw/zinc/77/21/78/758772178.db2.gz TWJSJBJLIGKKPN-ZDUSSCGKSA-N 0 0 316.427 0.516 50 0 DCAARN CO[C@H]1COC[C@@H]1NC(=O)COCc1nc2cc(F)ccc2[nH]1 ZINC000824506570 758778176 /nfs/dbraw/zinc/77/81/76/758778176.db2.gz INZTTYHUEQXHAE-STQMWFEESA-N 0 0 323.324 0.749 50 0 DCAARN C[C@H](Cc1nc(CC(N)=O)nn1CC(C)(C)O)n1cccn1 ZINC000826842156 758845450 /nfs/dbraw/zinc/84/54/50/758845450.db2.gz MEPIUDVDLKOMTR-SNVBAGLBSA-N 0 0 306.370 0.077 50 0 DCAARN O=c1[n-]c(C[NH2+][C@@H]2CCC(=O)N(Cc3ccccc3)C2)n[nH]1 ZINC000828256444 758964946 /nfs/dbraw/zinc/96/49/46/758964946.db2.gz HQCJHKNRZVKPKC-GFCCVEGCSA-N 0 0 301.350 0.791 50 0 DCAARN COCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CO ZINC000581781016 760248569 /nfs/dbraw/zinc/24/85/69/760248569.db2.gz MNYCTOVECZRICO-ZIAGYGMSSA-N 0 0 306.362 0.272 50 0 DCAARN COc1ccc(CNC(=O)N2C[C@H]3CN(C)C[C@@H](C2)O3)cc1 ZINC000581782294 760249824 /nfs/dbraw/zinc/24/98/24/760249824.db2.gz LTWRNEBSRAYLQJ-GASCZTMLSA-N 0 0 305.378 0.920 50 0 DCAARN O=C(NCCn1cccnc1=O)c1cncc(Br)c1 ZINC000667411172 765038606 /nfs/dbraw/zinc/03/86/06/765038606.db2.gz WMRAEBDYRLWCEP-UHFFFAOYSA-N 0 0 323.150 0.831 50 0 DCAARN O=C(c1cccc2c1OCCO2)N1CC(Cn2cncn2)C1 ZINC000888107174 765411850 /nfs/dbraw/zinc/41/18/50/765411850.db2.gz VJCXGAUBHLYZPC-UHFFFAOYSA-N 0 0 300.318 0.822 50 0 DCAARN CN(C(=O)c1cccc(Nc2cnn(C)c2)c1)[C@@H]1COC[C@H]1O ZINC000585082470 766268559 /nfs/dbraw/zinc/26/85/59/766268559.db2.gz XJBPJQLMPMZZLK-HUUCEWRRSA-N 0 0 316.361 0.995 50 0 DCAARN CN(C)C(=O)Cn1nc(Br)c(Br)n1 ZINC000585086757 766272341 /nfs/dbraw/zinc/27/23/41/766272341.db2.gz IWHBKEKGLVSMNT-UHFFFAOYSA-N 0 0 311.965 0.891 50 0 DCAARN NC(=O)c1ccc(C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)cc1 ZINC000585087577 766274636 /nfs/dbraw/zinc/27/46/36/766274636.db2.gz NQFNFBRGCBTRKN-FRRDWIJNSA-N 0 0 300.318 0.086 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(c2ncc[nH]2)CC1 ZINC000585114749 766284003 /nfs/dbraw/zinc/28/40/03/766284003.db2.gz XBMNNEHMKAJPOW-UHFFFAOYSA-N 0 0 324.410 0.271 50 0 DCAARN COC(=O)[C@H](CO)NC(=O)[C@]1(C)CC(c2ccccc2)=NO1 ZINC000585114200 766284149 /nfs/dbraw/zinc/28/41/49/766284149.db2.gz VGCRDRFUPLXWFY-WFASDCNBSA-N 0 0 306.318 0.220 50 0 DCAARN O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2ns[nH]c2=O)C1 ZINC000585121201 766286717 /nfs/dbraw/zinc/28/67/17/766286717.db2.gz IKPIYXCBXWZDMN-VIFPVBQESA-N 0 0 310.379 0.210 50 0 DCAARN CSc1cc(NC(=O)N[C@H]2CCc3ncnn3C2)ncn1 ZINC000585119592 766287537 /nfs/dbraw/zinc/28/75/37/766287537.db2.gz MKUWTRIKVRIALV-QMMMGPOBSA-N 0 0 305.367 0.927 50 0 DCAARN Cn1ccc(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1=O ZINC000585124968 766287995 /nfs/dbraw/zinc/28/79/95/766287995.db2.gz BLXJCBIBIAGVBA-JTQLQIEISA-N 0 0 322.365 0.810 50 0 DCAARN COC(=O)c1cnn(C)c1S(=O)(=O)N(C)c1cccc(C)n1 ZINC000585130073 766291762 /nfs/dbraw/zinc/29/17/62/766291762.db2.gz GXGSLCVRFXNPLE-UHFFFAOYSA-N 0 0 324.362 0.735 50 0 DCAARN CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2COC(=O)C2)C12CCOCC2 ZINC000585137753 766293721 /nfs/dbraw/zinc/29/37/21/766293721.db2.gz RUORYJANXFIBRZ-SDDRHHMPSA-N 0 0 312.366 0.575 50 0 DCAARN CN(C)S(=O)(=O)N1CCC(CNC(=O)CC2CC2)CC1 ZINC000952870282 768926319 /nfs/dbraw/zinc/92/63/19/768926319.db2.gz VFZSODURMJEOID-UHFFFAOYSA-N 0 0 303.428 0.421 50 0 DCAARN COC(=O)C1(NC(=O)[C@@H]2CCC(=O)S2)CCSCC1 ZINC000952884390 768953385 /nfs/dbraw/zinc/95/33/85/768953385.db2.gz AKGNHAXYSKQQNY-QMMMGPOBSA-N 0 0 303.405 0.964 50 0 DCAARN Cc1n[nH]cc1CN(C)S(=O)(=O)c1cc(C(N)=O)cs1 ZINC000952867852 768957338 /nfs/dbraw/zinc/95/73/38/768957338.db2.gz UCRMNBPEVWXZNP-UHFFFAOYSA-N 0 0 314.392 0.699 50 0 DCAARN COc1cc(C)n(CCNC(=O)c2cccn(C)c2=O)c(=O)c1 ZINC000238840279 769724475 /nfs/dbraw/zinc/72/44/75/769724475.db2.gz HRUYQGFEFRLGOY-UHFFFAOYSA-N 0 0 317.345 0.294 50 0 DCAARN Cc1csc(CN2C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C2)n1 ZINC001529144221 1014504000 /nfs/dbraw/zinc/50/40/00/1014504000.db2.gz UFLQVUNDHIUGKU-WDEREUQCSA-N 0 0 319.452 0.136 50 0 DCAARN CCC[C@H]1COC[C@H]2CN(C(=O)c3cc(C)nc(N)n3)CCN21 ZINC001529159719 1014508513 /nfs/dbraw/zinc/50/85/13/1014508513.db2.gz YAXAEJSEVGMOTH-QWHCGFSZSA-N 0 0 319.409 0.693 50 0 DCAARN O=C(Cn1cccnc1=O)N[C@@H]1COC[C@H]1Cc1ccncc1 ZINC001529189952 1014517664 /nfs/dbraw/zinc/51/76/64/1014517664.db2.gz BWUSYKOZECGHTJ-ZIAGYGMSSA-N 0 0 314.345 0.012 50 0 DCAARN O=C([C@H]1OCC(=O)N[C@@H]1c1cccnc1)N1CCC(F)CC1 ZINC001529195889 1014519529 /nfs/dbraw/zinc/51/95/29/1014519529.db2.gz PLHAPRPWRNBJQS-KGLIPLIRSA-N 0 0 307.325 0.598 50 0 DCAARN CC(=O)Nc1nonc1NC(=O)c1ccc(-n2cnnc2)cc1 ZINC001506400652 1017256034 /nfs/dbraw/zinc/25/60/34/1017256034.db2.gz BQPMGUIBHPHMPB-UHFFFAOYSA-N 0 0 313.277 0.861 50 0 DCAARN O=S1(=O)CC[C@H](Nc2nccc(N3CCC(O)CC3)n2)C1 ZINC001506412735 1017260472 /nfs/dbraw/zinc/26/04/72/1017260472.db2.gz NFOGNMMUERJPQO-JTQLQIEISA-N 0 0 312.395 0.037 50 0 DCAARN CC1=C(C(=O)NCc2cccnc2-n2cncn2)OCCO1 ZINC001506413690 1017264209 /nfs/dbraw/zinc/26/42/09/1017264209.db2.gz TXFYNWUQCYQIET-UHFFFAOYSA-N 0 0 301.306 0.557 50 0 DCAARN Cc1cccc(=O)n1CCCNC(=O)/C=C/c1cnc(N)nc1 ZINC001506420752 1017265475 /nfs/dbraw/zinc/26/54/75/1017265475.db2.gz QMUYERYFGZQRRN-VOTSOKGWSA-N 0 0 313.361 0.749 50 0 DCAARN Cc1nn(C)c(C)c1CNC(=O)COc1cn(C)c(C)cc1=O ZINC000095474109 185373043 /nfs/dbraw/zinc/37/30/43/185373043.db2.gz QBQPEWBRSJGMRJ-UHFFFAOYSA-N 0 0 318.377 0.739 50 0 DCAARN O=C(NCCCO)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095475092 185373338 /nfs/dbraw/zinc/37/33/38/185373338.db2.gz CMYFPCUOMQFUCO-JTQLQIEISA-N 0 0 302.334 0.414 50 0 DCAARN Cc1cc(=O)c(OCC(=O)NCCc2nccs2)cn1C ZINC000095480402 185373615 /nfs/dbraw/zinc/37/36/15/185373615.db2.gz VUFGPYNHLCLIHN-UHFFFAOYSA-N 0 0 307.375 0.888 50 0 DCAARN COc1ccc(N2C(=O)C[C@H](N3CCN(C)CC3)C2=O)c(C)c1 ZINC000095496455 185374028 /nfs/dbraw/zinc/37/40/28/185374028.db2.gz CRYMOOIEMGZDEJ-HNNXBMFYSA-N 0 0 317.389 0.883 50 0 DCAARN COC[C@@H]1CCCN1C(=O)CN1C(=O)COc2cccnc21 ZINC000095510585 185376208 /nfs/dbraw/zinc/37/62/08/185376208.db2.gz VWFDLUXWWLYTJF-NSHDSACASA-N 0 0 305.334 0.444 50 0 DCAARN COc1cccn(CC(=O)N(C)Cc2snnc2C)c1=O ZINC000095519256 185377201 /nfs/dbraw/zinc/37/72/01/185377201.db2.gz XWBLKVNFKFMXHR-UHFFFAOYSA-N 0 0 308.363 0.675 50 0 DCAARN CC(=O)NCCc1nc(Cn2cncn2)nn1-c1ccccc1 ZINC000095519595 185377223 /nfs/dbraw/zinc/37/72/23/185377223.db2.gz FFGJGEQPFYCONC-UHFFFAOYSA-N 0 0 311.349 0.586 50 0 DCAARN CCOc1nnc(CN2CCN(Cc3noc(C)n3)CC2)s1 ZINC000079311546 185164620 /nfs/dbraw/zinc/16/46/20/185164620.db2.gz DQGQSFPSOHPVRC-UHFFFAOYSA-N 0 0 324.410 0.946 50 0 DCAARN COc1cc(/C=C\C(=O)N2CCNC(=O)C2)cc2c1OCCO2 ZINC000096867792 185390103 /nfs/dbraw/zinc/39/01/03/185390103.db2.gz ANNBPDOBMLNEBC-IHWYPQMZSA-N 0 0 318.329 0.438 50 0 DCAARN COCC(=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 ZINC000082230627 185174494 /nfs/dbraw/zinc/17/44/94/185174494.db2.gz BZZMNIUUWUAABD-UHFFFAOYSA-N 0 0 319.409 0.762 50 0 DCAARN CC[C@H]1CN(C(=O)CCn2ccnc2)C[C@@H]1N1CCOCC1 ZINC000089948586 185270918 /nfs/dbraw/zinc/27/09/18/185270918.db2.gz AHXRKISDTYXSJJ-GJZGRUSLSA-N 0 0 306.410 0.842 50 0 DCAARN NC(=O)CN1CCn2nc(CCC(=O)NC3CCCC3)cc2C1 ZINC000082096913 192355107 /nfs/dbraw/zinc/35/51/07/192355107.db2.gz BJIPHBWCVYXGBS-UHFFFAOYSA-N 0 0 319.409 0.175 50 0 DCAARN O=C(c1ccc(Cl)cc1O)N1CC[C@]2(CC(=O)NC2=O)C1 ZINC000082109629 192357687 /nfs/dbraw/zinc/35/76/87/192357687.db2.gz REQZYDSXMOFRGL-AWEZNQCLSA-N 0 0 308.721 0.924 50 0 DCAARN Cc1nnc(SCC(=O)NC(=O)NCC(F)(F)F)n1C ZINC000007172363 545641122 /nfs/dbraw/zinc/64/11/22/545641122.db2.gz OLLOIZQZOUELIF-UHFFFAOYSA-N 0 0 311.289 0.604 50 0 DCAARN CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(CC)o2)C1 ZINC000092569663 185326518 /nfs/dbraw/zinc/32/65/18/185326518.db2.gz FLUBRGBQEHUVAO-LLVKDONJSA-N 0 0 300.380 0.996 50 0 DCAARN Cc1ccccc1CNC(=O)N1CC[C@]2(CC(=O)NC2=O)C1 ZINC000082134601 192360679 /nfs/dbraw/zinc/36/06/79/192360679.db2.gz AALXFMYYPDEQDE-INIZCTEOSA-N 0 0 301.346 0.943 50 0 DCAARN NS(=O)(=O)c1ccc(F)c(C(=O)NCCc2cccnc2)c1 ZINC000095390658 185351503 /nfs/dbraw/zinc/35/15/03/185351503.db2.gz HWWOUYURDPIASX-UHFFFAOYSA-N 0 0 323.349 0.841 50 0 DCAARN CC(=O)N1CCC[C@@H]1C(=O)Nc1nc(N2CCCCC2)n[nH]1 ZINC000095394871 185352411 /nfs/dbraw/zinc/35/24/11/185352411.db2.gz LAAXBKAGXJRIDZ-LLVKDONJSA-N 0 0 306.370 0.744 50 0 DCAARN O=C(CCNC(=O)c1cn[nH]n1)N1CCOc2ccccc2C1 ZINC000095396186 185352990 /nfs/dbraw/zinc/35/29/90/185352990.db2.gz KJDUPIBXKIZHNT-UHFFFAOYSA-N 0 0 315.333 0.346 50 0 DCAARN Cc1ccc(C)c(NC(=O)CN2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000095407437 185356115 /nfs/dbraw/zinc/35/61/15/185356115.db2.gz RWYBMOJVJPNZAH-CYBMUJFWSA-N 0 0 316.361 0.478 50 0 DCAARN O=C(CCC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)c1cccs1 ZINC000095407665 185356397 /nfs/dbraw/zinc/35/63/97/185356397.db2.gz FHEMOUJZZFZAFV-SECBINFHSA-N 0 0 321.358 0.474 50 0 DCAARN Cc1cn(C[C@H](O)CN2CCOCC2)c(=O)n1-c1ccccc1 ZINC000095430268 185362969 /nfs/dbraw/zinc/36/29/69/185362969.db2.gz KOSWPQQYHIHKCE-MRXNPFEDSA-N 0 0 317.389 0.641 50 0 DCAARN CCc1nc(NC(=O)CN2CC[C@@H](NC(N)=O)C2)sc1C ZINC000095447667 185367818 /nfs/dbraw/zinc/36/78/18/185367818.db2.gz CPLOFAAQSZUOSV-SECBINFHSA-N 0 0 311.411 0.695 50 0 DCAARN Cc1cncc(C(=O)NC[C@H](Cc2cnn(C)c2)C(N)=O)c1 ZINC000095450665 185369087 /nfs/dbraw/zinc/36/90/87/185369087.db2.gz SIMBGHIFEKHAMH-LBPRGKRZSA-N 0 0 301.350 0.198 50 0 DCAARN C[C@H](C(=O)NCc1ccn(C)n1)N1C(=O)NC2(CCCC2)C1=O ZINC000095451832 185369173 /nfs/dbraw/zinc/36/91/73/185369173.db2.gz UGCQJLFQUORLSN-SNVBAGLBSA-N 0 0 319.365 0.289 50 0 DCAARN CC(C)(C)OC(=O)[C@@H](O)CNC(=O)CCc1cscn1 ZINC000095456541 185369976 /nfs/dbraw/zinc/36/99/76/185369976.db2.gz NEUBSVNKCCBMKI-JTQLQIEISA-N 0 0 300.380 0.895 50 0 DCAARN Cc1nc(CCN(C)c2cc(N3CCOCC3)ncn2)no1 ZINC000286637682 219097867 /nfs/dbraw/zinc/09/78/67/219097867.db2.gz VOOKHIQKCMPWPZ-UHFFFAOYSA-N 0 0 304.354 0.684 50 0 DCAARN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccccc1O ZINC000095464800 185371497 /nfs/dbraw/zinc/37/14/97/185371497.db2.gz BNBRUVSMQFMSAP-LBPRGKRZSA-N 0 0 322.361 0.826 50 0 DCAARN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCCO ZINC000097024400 185398690 /nfs/dbraw/zinc/39/86/90/185398690.db2.gz INENRWSNMFAPFY-CYBMUJFWSA-N 0 0 311.357 0.902 50 0 DCAARN CCC(=O)c1cccc(S(=O)(=O)NCCCOCCO)c1 ZINC000095468729 185372495 /nfs/dbraw/zinc/37/24/95/185372495.db2.gz IJIBLJRJBZGNDO-UHFFFAOYSA-N 0 0 315.391 0.957 50 0 DCAARN CNC(=O)c1[nH]nc2c1CN(C(=O)[C@]1(C)CC(C)=NO1)CC2 ZINC000299784573 529930464 /nfs/dbraw/zinc/93/04/64/529930464.db2.gz KAHXPJWPVJQIGY-AWEZNQCLSA-N 0 0 305.338 0.209 50 0 DCAARN Cn1nccc1CNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000103140298 185434854 /nfs/dbraw/zinc/43/48/54/185434854.db2.gz FRAUTNZHZMUDHZ-VXGBXAGGSA-N 0 0 304.350 0.212 50 0 DCAARN CN(Cc1ccccc1)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000103349614 185447608 /nfs/dbraw/zinc/44/76/08/185447608.db2.gz RPPWPCIAECBTAV-KTKRTIGZSA-N 0 0 313.357 0.756 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000046278075 190675060 /nfs/dbraw/zinc/67/50/60/190675060.db2.gz NHIXIGQGVHYONP-QWHCGFSZSA-N 0 0 324.402 0.530 50 0 DCAARN CNC(=O)[C@@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000067620797 190711766 /nfs/dbraw/zinc/71/17/66/190711766.db2.gz YNAZUZFEMQEMDU-SECBINFHSA-N 0 0 316.379 0.604 50 0 DCAARN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NCc1cnn(C)c1C ZINC000170613380 197790352 /nfs/dbraw/zinc/79/03/52/197790352.db2.gz WBCUTVZJNKIQFZ-NWDGAFQWSA-N 0 0 315.395 0.490 50 0 DCAARN O=C(NC[C@H]1CCCO1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000229786728 201848889 /nfs/dbraw/zinc/84/88/89/201848889.db2.gz DWBSVUKFUDTVDV-CHWSQXEVSA-N 0 0 305.382 0.924 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)CN1CCc2ccccc2C1=O ZINC000286848910 219194891 /nfs/dbraw/zinc/19/48/91/219194891.db2.gz MYPVENRELGPQBB-YPMHNXCESA-N 0 0 319.336 0.109 50 0 DCAARN Cc1cnn(C[C@@H]2CCCN2C(=O)CN2CSCC2=O)c1 ZINC000070036557 190851311 /nfs/dbraw/zinc/85/13/11/190851311.db2.gz FLYWUCAIVFUNHG-LBPRGKRZSA-N 0 0 308.407 0.715 50 0 DCAARN Nc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cc(C3CC3)n[nH]1)C2 ZINC000071730187 191017171 /nfs/dbraw/zinc/01/71/71/191017171.db2.gz FXGYIPYGSVOVBP-UHFFFAOYSA-N 0 0 300.322 0.151 50 0 DCAARN O=C1CNC(=O)[C@H]2CN(c3nccc(C4CCCC4)n3)CCN12 ZINC000071747786 191020511 /nfs/dbraw/zinc/02/05/11/191020511.db2.gz QQMZJRJSXWTQNB-CYBMUJFWSA-N 0 0 315.377 0.281 50 0 DCAARN Cc1ccc(N2C[C@@H](NC(=O)CS(C)(=O)=O)CC2=O)cc1 ZINC000071748145 191021415 /nfs/dbraw/zinc/02/14/15/191021415.db2.gz CGAYXMFJRDWLJG-NSHDSACASA-N 0 0 310.375 0.261 50 0 DCAARN O=C(NC1CC1)[C@@H]1CNCCN1C(=O)c1cccc2cnccc21 ZINC000072128111 191043979 /nfs/dbraw/zinc/04/39/79/191043979.db2.gz NVGPTLYVVLLDRQ-INIZCTEOSA-N 0 0 324.384 0.927 50 0 DCAARN CCn1cnnc1CCNc1nc(COC)nc2c1cnn2C ZINC000072143935 191051075 /nfs/dbraw/zinc/05/10/75/191051075.db2.gz FPFJENSTAJWVSG-UHFFFAOYSA-N 0 0 316.369 0.776 50 0 DCAARN CCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1OCC ZINC000072162677 191064146 /nfs/dbraw/zinc/06/41/46/191064146.db2.gz VANDJLUIICTQIE-AWEZNQCLSA-N 0 0 319.405 0.912 50 0 DCAARN CN1C(=O)CO[C@H](C(=O)NCCCO)[C@H]1c1cccc(F)c1 ZINC000072241746 191084775 /nfs/dbraw/zinc/08/47/75/191084775.db2.gz XXSPPEVCEZCFFH-KGLIPLIRSA-N 0 0 310.325 0.223 50 0 DCAARN COCCN1C[C@H](C(=O)NCc2c(C)cc(C)[nH]c2=O)CC1=O ZINC000072274673 191096319 /nfs/dbraw/zinc/09/63/19/191096319.db2.gz BUFBYYVBMDRRGE-GFCCVEGCSA-N 0 0 321.377 0.103 50 0 DCAARN O=C(Cn1cnnn1)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000072290247 191108347 /nfs/dbraw/zinc/10/83/47/191108347.db2.gz KAZXKBALXDRTFP-JTQLQIEISA-N 0 0 316.148 0.830 50 0 DCAARN COCCN1CN(C(=O)c2cn(-c3ccccc3)nn2)CC1=O ZINC000253392625 186302775 /nfs/dbraw/zinc/30/27/75/186302775.db2.gz RHEPPYMKHGHIDV-UHFFFAOYSA-N 0 0 315.333 0.156 50 0 DCAARN COC(=O)c1cn(CCCc2nc(C)no2)cc2c(=O)[nH]nc1-2 ZINC000253396989 186305991 /nfs/dbraw/zinc/30/59/91/186305991.db2.gz BIMAZODSHZUEHJ-UHFFFAOYSA-N 0 0 317.305 0.787 50 0 DCAARN NC(=O)NC(=O)CN1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000253398716 186306319 /nfs/dbraw/zinc/30/63/19/186306319.db2.gz MPHFCZREDWUESX-ZETCQYMHSA-N 0 0 319.287 0.803 50 0 DCAARN COc1cn(CC(=O)NCCc2ccccn2)c(C)cc1=O ZINC000253402560 186306721 /nfs/dbraw/zinc/30/67/21/186306721.db2.gz GMHWHYOFVCKMAS-UHFFFAOYSA-N 0 0 301.346 0.919 50 0 DCAARN COc1ccccc1CCNC(=O)C(=O)N1CCSCC1 ZINC000253407469 186308583 /nfs/dbraw/zinc/30/85/83/186308583.db2.gz AOQSIRXHGKYZQB-UHFFFAOYSA-N 0 0 308.403 0.929 50 0 DCAARN CCOC(=O)Cn1cccc(S(=O)(=O)N2CCCC2)c1=O ZINC000072329903 191124207 /nfs/dbraw/zinc/12/42/07/191124207.db2.gz GPWKFZDIDPELRF-UHFFFAOYSA-N 0 0 314.363 0.196 50 0 DCAARN C=C1c2ccccc2C(=O)N1CC(=O)NCCS(C)(=O)=O ZINC000083984650 545697206 /nfs/dbraw/zinc/69/72/06/545697206.db2.gz DYGHYFWIZXTZLS-UHFFFAOYSA-N 0 0 308.359 0.274 50 0 DCAARN O=C(CO)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000072412023 191155301 /nfs/dbraw/zinc/15/53/01/191155301.db2.gz CQBSTZQPQTWRDE-QGZVFWFLSA-N 0 0 317.389 0.805 50 0 DCAARN Cn1cc([C@H]2CN(S(=O)(=O)c3ccco3)C[C@@H]2C(N)=O)cn1 ZINC000331644407 233944001 /nfs/dbraw/zinc/94/40/01/233944001.db2.gz VFTGYWULZVCGLZ-MNOVXSKESA-N 0 0 324.362 0.953 50 0 DCAARN CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(C)CC2)c1 ZINC000002865706 180964746 /nfs/dbraw/zinc/96/47/46/180964746.db2.gz UOCBWZIHXZMTIE-UHFFFAOYSA-N 0 0 311.407 0.325 50 0 DCAARN NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003291707 181001000 /nfs/dbraw/zinc/00/10/00/181001000.db2.gz JOUDNANKFDGVSS-UHFFFAOYSA-N 0 0 312.347 0.113 50 0 DCAARN CCNC(=O)NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000003457962 181022927 /nfs/dbraw/zinc/02/29/27/181022927.db2.gz CDORMKXIUMYQLD-UHFFFAOYSA-N 0 0 310.354 0.333 50 0 DCAARN NC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)n1N ZINC000003534963 181031217 /nfs/dbraw/zinc/03/12/17/181031217.db2.gz QBWSUUKSZAEDFM-UHFFFAOYSA-N 0 0 315.305 0.838 50 0 DCAARN COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@H]1c1cccnc1 ZINC000003903535 181054870 /nfs/dbraw/zinc/05/48/70/181054870.db2.gz AIIYGGXNHFQOGB-VLXAULBPSA-N 0 0 321.329 0.467 50 0 biogenic DCAARN OC[C@@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@H](O)[C@H](O)[C@@H]1O ZINC000004103873 181073275 /nfs/dbraw/zinc/07/32/75/181073275.db2.gz MWHKPYATGMFFPI-UYJHQMFVSA-N 0 0 306.314 0.019 50 0 DCAARN CNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000004195645 181083682 /nfs/dbraw/zinc/08/36/82/181083682.db2.gz ZRECFRIQMOGMNI-UHFFFAOYSA-N 0 0 306.771 0.715 50 0 DCAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccn1 ZINC000004330249 181098752 /nfs/dbraw/zinc/09/87/52/181098752.db2.gz SKGXWEYFXSCNFH-UHFFFAOYSA-N 0 0 317.326 0.865 50 0 DCAARN Nn1c(=O)cnnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000004338085 181099983 /nfs/dbraw/zinc/09/99/83/181099983.db2.gz IECGYPJJRVGMPR-UHFFFAOYSA-N 0 0 311.754 0.736 50 0 DCAARN Cc1ccc(NC(=O)CSc2nncc(=O)n2N)c(C)c1 ZINC000004338056 181100131 /nfs/dbraw/zinc/10/01/31/181100131.db2.gz WHPBBPTVHREUPC-UHFFFAOYSA-N 0 0 305.363 0.700 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccc(F)cc3)C(=O)[C@]2(C)NN1 ZINC000004371183 181103012 /nfs/dbraw/zinc/10/30/12/181103012.db2.gz JAEWCSWZEVATSH-LKFCYVNXSA-N 0 0 305.265 0.206 50 0 DCAARN NS(=O)(=O)c1ccc(NC(=O)CSc2cn[nH]n2)cc1 ZINC000004386607 181106265 /nfs/dbraw/zinc/10/62/65/181106265.db2.gz ZBLTZBAGKANPKG-UHFFFAOYSA-N 0 0 313.364 0.183 50 0 DCAARN Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2 ZINC000004400198 181107307 /nfs/dbraw/zinc/10/73/07/181107307.db2.gz VSYWXZHKEIDEDF-ZETCQYMHSA-N 0 0 300.405 0.736 50 0 DCAARN O=C(NCCCN1CCCC1=O)C(=O)Nc1cccc(F)c1 ZINC000004583715 181127298 /nfs/dbraw/zinc/12/72/98/181127298.db2.gz YWMVZRDMNKHHNG-UHFFFAOYSA-N 0 0 307.325 0.893 50 0 DCAARN Cc1noc(C)c1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000004749579 181147676 /nfs/dbraw/zinc/14/76/76/181147676.db2.gz AUQGZTFJKHTLMQ-UHFFFAOYSA-N 0 0 309.347 0.869 50 0 DCAARN COc1cccc(NC(=O)CSc2nnc3n(N)cnn23)c1 ZINC000004742811 181146154 /nfs/dbraw/zinc/14/61/54/181146154.db2.gz NJEYZVRLCIUVGX-UHFFFAOYSA-N 0 0 319.350 0.379 50 0 DCAARN COc1ccccc1-c1noc(CCC(=O)Nc2nn[nH]n2)n1 ZINC000004785319 181151976 /nfs/dbraw/zinc/15/19/76/181151976.db2.gz WWUUSODANGQZPC-UHFFFAOYSA-N 0 0 315.293 0.830 50 0 DCAARN COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1OC ZINC000004840240 181160527 /nfs/dbraw/zinc/16/05/27/181160527.db2.gz NKZRHXFUNLNUKC-NSHDSACASA-N 0 0 308.334 0.938 50 0 DCAARN O=C1C2=C(CN1CCO)NC(=O)N[C@@H]2c1ccc(Cl)cc1 ZINC000004854646 181163829 /nfs/dbraw/zinc/16/38/29/181163829.db2.gz GVKHMGUBSQBHKD-GFCCVEGCSA-N 0 0 307.737 0.783 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCOc2ccccc21 ZINC000047595148 295894603 /nfs/dbraw/zinc/89/46/03/295894603.db2.gz MIPLVTJPPIPAER-CMPLNLGQSA-N 0 0 310.375 0.997 50 0 DCAARN COC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC ZINC000004868568 181166363 /nfs/dbraw/zinc/16/63/63/181166363.db2.gz KAMLLLSUGBYPQM-UHFFFAOYSA-N 0 0 303.336 0.497 50 0 DCAARN CCNC(=O)c1cc(S(=O)(=O)NCC)c(OC)cc1OC ZINC000004869143 181166601 /nfs/dbraw/zinc/16/66/01/181166601.db2.gz LZTSWRNTYGPOPO-UHFFFAOYSA-N 0 0 316.379 0.752 50 0 DCAARN Nc1nc(N)nc(SCC(=O)NCCc2ccccc2)n1 ZINC000004922394 181173609 /nfs/dbraw/zinc/17/36/09/181173609.db2.gz RPAZMZCZLAAVNX-UHFFFAOYSA-N 0 0 304.379 0.487 50 0 DCAARN C[C@@H](C(=O)Nc1ccon1)N1C(=O)c2ccccc2S1(=O)=O ZINC000004940830 181176360 /nfs/dbraw/zinc/17/63/60/181176360.db2.gz JGZQRRVYRYRMHT-QMMMGPOBSA-N 0 0 321.314 0.846 50 0 DCAARN Cc1noc(C)c1CNC(=O)c1nnn2cc(C)[nH]c(=O)c12 ZINC000075163986 191437505 /nfs/dbraw/zinc/43/75/05/191437505.db2.gz LUCCQHSPNUKGKT-UHFFFAOYSA-N 0 0 302.294 0.673 50 0 DCAARN Cc1nc2nc(CC(=O)N3CCOCC3)nn2c(C)c1Cl ZINC000004999385 181188151 /nfs/dbraw/zinc/18/81/51/181188151.db2.gz IMWVEPHBACBFKX-UHFFFAOYSA-N 0 0 309.757 0.796 50 0 DCAARN O=C1CN(S(=O)(=O)c2cccc(Br)c2)CCN1 ZINC000005120213 181205902 /nfs/dbraw/zinc/20/59/02/181205902.db2.gz GVPBKAJFZXQIMB-UHFFFAOYSA-N 0 0 319.180 0.570 50 0 DCAARN Cc1sc(NC(=O)CN2C(=O)CCC2=O)c(C(N)=O)c1C ZINC000005144894 181209399 /nfs/dbraw/zinc/20/93/99/181209399.db2.gz JGLLIMPBVRQNHF-UHFFFAOYSA-N 0 0 309.347 0.551 50 0 DCAARN CCc1nn(CC(=O)NCCOC)c(=O)c2cc3occc3n21 ZINC000005149380 181210390 /nfs/dbraw/zinc/21/03/90/181210390.db2.gz FDARTSDDJBJIOF-UHFFFAOYSA-N 0 0 318.333 0.567 50 0 DCAARN O=C(COC(=O)c1n[nH]c(=O)c2ccccc21)N1CCCC1=O ZINC000005183416 181214508 /nfs/dbraw/zinc/21/45/08/181214508.db2.gz POBXBCLJBSXXFC-UHFFFAOYSA-N 0 0 315.285 0.229 50 0 DCAARN O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)NN1CCOCC1 ZINC000005195217 181215909 /nfs/dbraw/zinc/21/59/09/181215909.db2.gz WBRAYWZCRIHYML-GFCCVEGCSA-N 0 0 322.340 0.477 50 0 DCAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)NCC(F)(F)F ZINC000005172502 181213224 /nfs/dbraw/zinc/21/32/24/181213224.db2.gz TXXZALCZQRCSHS-UHFFFAOYSA-N 0 0 304.224 0.824 50 0 DCAARN COC(=O)C1=NO[C@]2(CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000005396534 181238858 /nfs/dbraw/zinc/23/88/58/181238858.db2.gz DPECWIJYEXICQB-AWEZNQCLSA-N 0 0 306.249 0.777 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(=O)c2ccccc2o1 ZINC000005345809 181232163 /nfs/dbraw/zinc/23/21/63/181232163.db2.gz BXGUJOOGDHGOSI-VIFPVBQESA-N 0 0 307.327 0.710 50 0 DCAARN C=CC(=O)NCCNC(=O)c1cc(Br)cn1C ZINC000080172675 192009256 /nfs/dbraw/zinc/00/92/56/192009256.db2.gz RPTLFAULTPTJQM-UHFFFAOYSA-N 0 0 300.156 0.820 50 0 DCAARN CCN1CCO[C@H](C(=O)Nc2ccc(-n3ccnc3)nc2)C1 ZINC000081247015 192240610 /nfs/dbraw/zinc/24/06/10/192240610.db2.gz TYJLAKSZTWWUBW-ZDUSSCGKSA-N 0 0 301.350 0.927 50 0 DCAARN O=C(CSc1nc[nH]n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000005737284 181278417 /nfs/dbraw/zinc/27/84/17/181278417.db2.gz NMVCFMYHTWKPCY-UHFFFAOYSA-N 0 0 321.362 0.474 50 0 DCAARN CN1C[C@@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)CC1=O ZINC000222076943 283187113 /nfs/dbraw/zinc/18/71/13/283187113.db2.gz AVDISBZDQFBSTB-LSDHHAIUSA-N 0 0 301.390 0.980 50 0 DCAARN O=S(=O)(NCC1(CO)CCOCC1)N1CCCCCC1 ZINC000129403744 236968689 /nfs/dbraw/zinc/96/86/89/236968689.db2.gz ZVXREIFLEISTFF-UHFFFAOYSA-N 0 0 306.428 0.486 50 0 DCAARN CCc1nc(Cn2cnc3c(nnn3-c3ccccc3)c2=O)no1 ZINC000089290029 192759949 /nfs/dbraw/zinc/75/99/49/192759949.db2.gz JGEFWWAHEUKFOA-UHFFFAOYSA-N 0 0 323.316 0.971 50 0 DCAARN O=C(Nc1nc[nH]n1)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000089834830 192882422 /nfs/dbraw/zinc/88/24/22/192882422.db2.gz CJYOBBVOEWSWNU-NSHDSACASA-N 0 0 301.306 0.171 50 0 DCAARN C[C@@H](C(=O)[O-])[NH+]1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000237528417 202272629 /nfs/dbraw/zinc/27/26/29/202272629.db2.gz AWJDOSKFQRKXJR-NSHDSACASA-N 0 0 302.338 0.257 50 0 DCAARN NC(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1N ZINC000006054015 181308644 /nfs/dbraw/zinc/30/86/44/181308644.db2.gz VFVHWLQRPBEYRL-SECBINFHSA-N 0 0 307.335 0.082 50 0 DCAARN Cc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000006430227 181340553 /nfs/dbraw/zinc/34/05/53/181340553.db2.gz VQQXJZPBXMITGC-UHFFFAOYSA-N 0 0 312.391 0.718 50 0 DCAARN Cc1ccn(CC(=O)N2CCC[C@@H](Cn3cncn3)C2)c(=O)c1 ZINC000194738478 201281620 /nfs/dbraw/zinc/28/16/20/201281620.db2.gz WJLANVHBTVFLPV-CQSZACIVSA-N 0 0 315.377 0.687 50 0 DCAARN NS(=O)(=O)N1CCN(C(=O)CC2Cc3ccccc3C2)CC1 ZINC000244795968 202500176 /nfs/dbraw/zinc/50/01/76/202500176.db2.gz RQOVXETYFJUXBV-UHFFFAOYSA-N 0 0 323.418 0.139 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)NCc1nnc2ccccn21 ZINC000006607462 181360959 /nfs/dbraw/zinc/36/09/59/181360959.db2.gz HNPCFFYLHQETLW-UHFFFAOYSA-N 0 0 323.312 0.954 50 0 DCAARN O=C(Cn1nnc2ccccc21)N1CCN(c2ncccn2)CC1 ZINC000006647045 181364637 /nfs/dbraw/zinc/36/46/37/181364637.db2.gz JCNRLJZMDQXSAY-UHFFFAOYSA-N 0 0 323.360 0.570 50 0 DCAARN Cn1nc(C(=O)NC[C@H]2CCCN2c2nccs2)ccc1=O ZINC000206779858 201430608 /nfs/dbraw/zinc/43/06/08/201430608.db2.gz RLEVPALTQXTULB-SNVBAGLBSA-N 0 0 319.390 0.636 50 0 DCAARN Nc1nccnc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 ZINC000006942774 181409699 /nfs/dbraw/zinc/40/96/99/181409699.db2.gz AQIUTZPUECCERI-UHFFFAOYSA-N 0 0 315.285 0.870 50 0 DCAARN CCCCN1CCN(C(=O)[C@@H](N)c2c(C)n[nH]c2C)CC1=O ZINC000091364801 193045885 /nfs/dbraw/zinc/04/58/85/193045885.db2.gz RLJRJSAZCBAQTE-AWEZNQCLSA-N 0 0 307.398 0.497 50 0 DCAARN CCCCN1CCN(C(=O)[C@H](N)c2c(C)n[nH]c2C)CC1=O ZINC000091364800 193046622 /nfs/dbraw/zinc/04/66/22/193046622.db2.gz RLJRJSAZCBAQTE-CQSZACIVSA-N 0 0 307.398 0.497 50 0 DCAARN CC(C)=CC[C@@]1(CO)CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000091412381 193052964 /nfs/dbraw/zinc/05/29/64/193052964.db2.gz BZRUUJFWGXVUPL-INIZCTEOSA-N 0 0 323.393 0.496 50 0 DCAARN COc1ccc2c(c1)C[C@@H](C(=O)NCCN1CCNC1=O)CO2 ZINC000091433806 193055027 /nfs/dbraw/zinc/05/50/27/193055027.db2.gz ZYOMLLBQKJCNPB-GFCCVEGCSA-N 0 0 319.361 0.388 50 0 DCAARN CNc1ncc(C(=O)N2CC[C@@](O)(COC)C(C)(C)C2)cn1 ZINC000091585623 193075287 /nfs/dbraw/zinc/07/52/87/193075287.db2.gz RKHPZUPSHOPBRH-OAHLLOKOSA-N 0 0 308.382 0.768 50 0 DCAARN CN(C)C(=O)CN1C[C@H]2CC[C@H](CN2C(=O)c2ccncc2)C1 ZINC000091593945 193077958 /nfs/dbraw/zinc/07/79/58/193077958.db2.gz MAHUTRDEGOSVFX-DZGCQCFKSA-N 0 0 316.405 0.706 50 0 DCAARN COc1ncc(Cl)c(N[C@@H](C)C(=O)N2CCOCC2)n1 ZINC000091476723 193062410 /nfs/dbraw/zinc/06/24/10/193062410.db2.gz CXSNEYHCXWMHGZ-QMMMGPOBSA-N 0 0 300.746 0.798 50 0 DCAARN Cc1cc(=O)[nH]c(NCCNC(=O)c2cn3ccsc3n2)n1 ZINC000091504928 193066122 /nfs/dbraw/zinc/06/61/22/193066122.db2.gz ZSKPSTBBIOSUDY-UHFFFAOYSA-N 0 0 318.362 0.629 50 0 DCAARN Cn1ncc2c1nc(C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C3CC3)C1)[nH]c2=O ZINC000091643651 193084343 /nfs/dbraw/zinc/08/43/43/193084343.db2.gz HVPVKECRGYYOQV-WDEREUQCSA-N 0 0 317.349 0.612 50 0 DCAARN CC(C)Cc1cc(CNC(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)no1 ZINC000091664313 193087132 /nfs/dbraw/zinc/08/71/32/193087132.db2.gz FBHVMNXIOZBNJX-GFCCVEGCSA-N 0 0 322.365 0.772 50 0 DCAARN O=C(NCCn1ccnc1)[C@H]1CC(=O)N(Cc2cccnc2)C1 ZINC000091713337 193095762 /nfs/dbraw/zinc/09/57/62/193095762.db2.gz BXPQJTHXMXWSAW-AWEZNQCLSA-N 0 0 313.361 0.443 50 0 DCAARN Cc1cc(C)nc(CN(C)C(=O)CC[C@@H]2NC(=O)NC2=O)c1 ZINC000091726211 193097586 /nfs/dbraw/zinc/09/75/86/193097586.db2.gz FRMIXMNOXMOKQG-LBPRGKRZSA-N 0 0 304.350 0.645 50 0 DCAARN COCC[C@]1(CO)CCCN(C(=O)CCN2CCOCC2)C1 ZINC000091914504 193126293 /nfs/dbraw/zinc/12/62/93/193126293.db2.gz PSLSOICDJNHUKQ-MRXNPFEDSA-N 0 0 314.426 0.346 50 0 DCAARN Cc1cc(C)n(CCN(C)C(=O)[C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC000091966132 193133883 /nfs/dbraw/zinc/13/38/83/193133883.db2.gz NPBMBLANXMNGLE-CYBMUJFWSA-N 0 0 304.394 0.969 50 0 DCAARN CCC[C@H]1CN(Cc2cc(OC)ccn2)C[C@@H]1NC(=O)CO ZINC000091973875 193135252 /nfs/dbraw/zinc/13/52/52/193135252.db2.gz XDBXHHCMUJXMKE-WFASDCNBSA-N 0 0 307.394 0.799 50 0 DCAARN CC[C@@H](C(=O)NCCS(=O)(=O)N1CCCC1)n1cccn1 ZINC000091997748 193138317 /nfs/dbraw/zinc/13/83/17/193138317.db2.gz LOACSGAMBWMKBE-LBPRGKRZSA-N 0 0 314.411 0.376 50 0 DCAARN Cn1cnnc1SCCNC(=O)[C@@H](O)Cc1ccccc1 ZINC000215804179 201472195 /nfs/dbraw/zinc/47/21/95/201472195.db2.gz HRULTCJDWZZYFE-LBPRGKRZSA-N 0 0 306.391 0.627 50 0 DCAARN Cc1nc(C)c(CC(=O)NC[C@@H](C)Oc2cccnc2)c(=O)[nH]1 ZINC000216204732 201486940 /nfs/dbraw/zinc/48/69/40/201486940.db2.gz AXUNVJZQYRKVSO-SNVBAGLBSA-N 0 0 316.361 0.908 50 0 DCAARN CCOc1ccccc1Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000006972424 181429619 /nfs/dbraw/zinc/42/96/19/181429619.db2.gz WHEYCVYTUIUUHA-UHFFFAOYSA-N 0 0 314.345 0.881 50 0 DCAARN O=C(NC1CN(C(=O)NCc2cn3ccsc3n2)C1)C1CC1 ZINC000275229657 212211673 /nfs/dbraw/zinc/21/16/73/212211673.db2.gz LIDVBCKIERYPDZ-UHFFFAOYSA-N 0 0 319.390 0.816 50 0 DCAARN COc1ccc(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)o1 ZINC000220562252 201578530 /nfs/dbraw/zinc/57/85/30/201578530.db2.gz ZKGADVUTTOYDQI-UHFFFAOYSA-N 0 0 318.333 0.344 50 0 DCAARN CN(C)S(=O)(=O)NCc1ccncc1OCC(F)(F)F ZINC000252497669 202851606 /nfs/dbraw/zinc/85/16/06/202851606.db2.gz QMPPGDIQIMEUJW-UHFFFAOYSA-N 0 0 313.301 0.919 50 0 DCAARN COC(=O)[C@@H]1C[C@H](O)CN1Cc1cccc(-n2cccn2)c1 ZINC000093441232 193252402 /nfs/dbraw/zinc/25/24/02/193252402.db2.gz DDGYNJBPQVVMSH-GJZGRUSLSA-N 0 0 301.346 0.981 50 0 DCAARN COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000007667652 181484737 /nfs/dbraw/zinc/48/47/37/181484737.db2.gz ALMKZVWOJNRWRQ-SNVBAGLBSA-N 0 0 319.404 0.469 50 0 DCAARN NS(=O)(=O)CCN1CCN(Cc2c(F)cccc2F)CC1 ZINC000093741198 193298561 /nfs/dbraw/zinc/29/85/61/193298561.db2.gz CWLUZTUYJIODED-UHFFFAOYSA-N 0 0 319.377 0.371 50 0 DCAARN CN(C[C@@H]1CCCCO1)C(=O)c1cccc(S(N)(=O)=O)c1 ZINC000095361536 193432043 /nfs/dbraw/zinc/43/20/43/193432043.db2.gz YGSLTOLRGQGPCF-LBPRGKRZSA-N 0 0 312.391 0.975 50 0 DCAARN COc1cccc2c1OC[C@@H](CNC(=O)CCNC(C)=O)C2 ZINC000095379408 193438801 /nfs/dbraw/zinc/43/88/01/193438801.db2.gz KAQYKNIWQHODCJ-GFCCVEGCSA-N 0 0 306.362 0.889 50 0 DCAARN CN(C)[C@@H](C(=O)NCCc1cc(=O)[nH]cn1)c1cccc(F)c1 ZINC000095380157 193439108 /nfs/dbraw/zinc/43/91/08/193439108.db2.gz GWUCGOOGJSUCNQ-OAHLLOKOSA-N 0 0 318.352 0.871 50 0 DCAARN CCn1cc(N2C[C@H](C(=O)N3CCSCC3)CC2=O)cn1 ZINC000096101461 193537349 /nfs/dbraw/zinc/53/73/49/193537349.db2.gz OWIBZHJZZXAKSI-LLVKDONJSA-N 0 0 308.407 0.831 50 0 DCAARN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCn2cccn2)on1 ZINC000096180465 193561152 /nfs/dbraw/zinc/56/11/52/193561152.db2.gz CZLZXCKLAWZJFR-OCCSQVGLSA-N 0 0 304.350 0.944 50 0 DCAARN CN(C)c1nc(N)nc(CN(C)Cc2nccn2C(F)F)n1 ZINC000096443502 193647877 /nfs/dbraw/zinc/64/78/77/193647877.db2.gz CXCYJNMCABSDGZ-UHFFFAOYSA-N 0 0 312.328 0.743 50 0 DCAARN COC(=O)c1c(C)[nH]c(C(=O)NCC(=O)N2CCCC2)c1C ZINC000009678064 181634835 /nfs/dbraw/zinc/63/48/35/181634835.db2.gz NGBXEAAHVJALNF-UHFFFAOYSA-N 0 0 307.350 0.770 50 0 DCAARN C[C@@H]1CCCCN1C(=O)Cn1nnn(-c2cccs2)c1=O ZINC000010812866 181679406 /nfs/dbraw/zinc/67/94/06/181679406.db2.gz PHBMIIWROGLEST-SNVBAGLBSA-N 0 0 307.379 0.892 50 0 DCAARN C=COCCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000012417103 181759291 /nfs/dbraw/zinc/75/92/91/181759291.db2.gz YMSJRZMKFSPNKE-SECBINFHSA-N 0 0 312.347 0.844 50 0 DCAARN Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccnc1 ZINC000013633621 181870891 /nfs/dbraw/zinc/87/08/91/181870891.db2.gz FROWVXPPWMOTFA-UHFFFAOYSA-N 0 0 319.390 0.828 50 0 DCAARN COc1ccc(CN2C(=S)N[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000013692409 181880846 /nfs/dbraw/zinc/88/08/46/181880846.db2.gz IJCAPWMYIMIKMW-NWDGAFQWSA-N 0 0 312.416 0.551 50 0 DCAARN CC[C@H](COC)NC(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000265851952 204926039 /nfs/dbraw/zinc/92/60/39/204926039.db2.gz ZHVWINITOPMBCT-LLVKDONJSA-N 0 0 315.395 0.558 50 0 DCAARN COc1ccc(CN(C)Cc2nc(N)nc(N)n2)c(OC)c1 ZINC000015449085 182003024 /nfs/dbraw/zinc/00/30/24/182003024.db2.gz PHZRVMJGKCEDDC-UHFFFAOYSA-N 0 0 304.354 0.685 50 0 DCAARN CCOC(=O)c1ccc(NC(=S)N2CCNC(=O)C2)cc1 ZINC000016314725 182039398 /nfs/dbraw/zinc/03/93/98/182039398.db2.gz VTTGTMZVZQZRFE-UHFFFAOYSA-N 0 0 307.375 0.992 50 0 DCAARN COc1ccc(N2C(=O)C[C@@H](SC[C@H]([NH3+])C(=O)[O-])C2=O)cc1 ZINC000019720205 182138324 /nfs/dbraw/zinc/13/83/24/182138324.db2.gz PTIQUTKBLSYTIH-WDEREUQCSA-N 0 0 324.358 0.472 50 0 DCAARN CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH2+]CC3)nc21 ZINC000019594549 182133113 /nfs/dbraw/zinc/13/31/13/182133113.db2.gz IDYZIJYBMGIQMJ-UHFFFAOYSA-N 0 0 320.324 0.663 50 0 world DCAARN COC[C@@H](c1ccccn1)N(C)C(=O)Cn1cccnc1=O ZINC000097528999 193731006 /nfs/dbraw/zinc/73/10/06/193731006.db2.gz FITSTTRHLVXMPW-ZDUSSCGKSA-N 0 0 302.334 0.484 50 0 DCAARN Cc1ccc(CNC(=O)C(=O)NCCN2CCOCC2)cc1 ZINC000019831238 182154087 /nfs/dbraw/zinc/15/40/87/182154087.db2.gz CZMGNEPPZYRBAE-UHFFFAOYSA-N 0 0 305.378 0.060 50 0 DCAARN O=C(CN1CCOCC1)N1CCN(C(=O)c2ccccc2)C1 ZINC000019900232 182161718 /nfs/dbraw/zinc/16/17/18/182161718.db2.gz WJJJIZBOOYQBDX-UHFFFAOYSA-N 0 0 303.362 0.261 50 0 DCAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1nc[nH]n1 ZINC000019851980 182157074 /nfs/dbraw/zinc/15/70/74/182157074.db2.gz UFTGDNZBHTUGAQ-UHFFFAOYSA-N 0 0 300.727 0.871 50 0 DCAARN Cc1nn2c3ccccc3n(CCN3CCOCC3)c2nc1=O ZINC000019891822 182161355 /nfs/dbraw/zinc/16/13/55/182161355.db2.gz MBRHYLUJQFLETE-UHFFFAOYSA-N 0 0 313.361 0.685 50 0 DCAARN CC(C)CS(=O)(=O)CCNC(=O)c1cc2ncccn2n1 ZINC000097642475 193742490 /nfs/dbraw/zinc/74/24/90/193742490.db2.gz HPZYPNQETSCIMH-UHFFFAOYSA-N 0 0 310.379 0.530 50 0 DCAARN COC(=O)[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)C(C)C ZINC000020426779 182216332 /nfs/dbraw/zinc/21/63/32/182216332.db2.gz VJKPHQZTWIUZBN-LBPRGKRZSA-N 0 0 303.322 0.590 50 0 DCAARN Cc1ccc(C(=O)C[C@@H]([NH2+]CCN2CCOCC2)C(=O)[O-])cc1 ZINC000020432505 182217284 /nfs/dbraw/zinc/21/72/84/182217284.db2.gz MOJLWWYEJCKKMF-OAHLLOKOSA-N 0 0 320.389 0.943 50 0 DCAARN c1cnc(-c2nnc3sc(-c4ccc5nnnn5c4)nn32)cn1 ZINC000020745165 182245783 /nfs/dbraw/zinc/24/57/83/182245783.db2.gz PCKNWVFHPDBODR-UHFFFAOYSA-N 0 0 322.317 0.748 50 0 DCAARN COC(=O)CNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccncc1 ZINC000020761300 182246389 /nfs/dbraw/zinc/24/63/89/182246389.db2.gz PTVZDPDEDIJGIH-CQSZACIVSA-N 0 0 315.333 0.635 50 0 biogenic DCAARN Cc1nc(N(C)C)ncc1C(=O)N(CCO)Cc1nccs1 ZINC000097772908 193755905 /nfs/dbraw/zinc/75/59/05/193755905.db2.gz HVYXUNGRKUPTMS-UHFFFAOYSA-N 0 0 321.406 0.942 50 0 DCAARN COc1ccc(OC)c(S(=O)(=O)NCC(=O)N(C)C)c1 ZINC000021185683 182269195 /nfs/dbraw/zinc/26/91/95/182269195.db2.gz SVVPLTXHUSQHNW-UHFFFAOYSA-N 0 0 302.352 0.070 50 0 DCAARN O=C(Nc1nnc2ccccn21)c1cnc2ccccn2c1=O ZINC000048163702 284444244 /nfs/dbraw/zinc/44/42/44/284444244.db2.gz WNAIXNNRNPTOBC-UHFFFAOYSA-N 0 0 306.285 0.990 50 0 DCAARN CN(C)C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000021899363 182297399 /nfs/dbraw/zinc/29/73/99/182297399.db2.gz UXAKHCUWCRWMFL-GFCCVEGCSA-N 0 0 312.391 0.846 50 0 DCAARN COCCNC(=O)CNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000022697101 182331393 /nfs/dbraw/zinc/33/13/93/182331393.db2.gz ZSCGDCFBASLREJ-UHFFFAOYSA-N 0 0 322.361 0.269 50 0 DCAARN O=C(CN1CCN(CCO)CC1)N1CCC(c2ccccc2)=N1 ZINC000022943262 182343327 /nfs/dbraw/zinc/34/33/27/182343327.db2.gz RPWNITPVTGLYNZ-UHFFFAOYSA-N 0 0 316.405 0.233 50 0 DCAARN CCOC(=O)c1cccc(OC[C@@H](O)CN2CCOCC2)c1 ZINC000023624278 182364764 /nfs/dbraw/zinc/36/47/64/182364764.db2.gz JMQNWYFHPWBBJG-AWEZNQCLSA-N 0 0 309.362 0.935 50 0 DCAARN CS(=O)(=O)N1CCCN(C(=O)c2ccc[nH]c2=S)CC1 ZINC000024780697 182390964 /nfs/dbraw/zinc/39/09/64/182390964.db2.gz WIEOEJIKPBPGPH-UHFFFAOYSA-N 0 0 315.420 0.478 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCc1ccsc1 ZINC000025023009 182399794 /nfs/dbraw/zinc/39/97/94/182399794.db2.gz WCTZMABWFYIFNS-LLVKDONJSA-N 0 0 310.375 0.571 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCCc1cccs1 ZINC000025021147 182399895 /nfs/dbraw/zinc/39/98/95/182399895.db2.gz JOIFTFFQDQUUPB-GFCCVEGCSA-N 0 0 324.402 0.961 50 0 DCAARN S=C(NCCN1CCOCC1)NCc1ccc2c(c1)OCO2 ZINC000025196558 182404411 /nfs/dbraw/zinc/40/44/11/182404411.db2.gz CRFLRXYPOHPEDZ-UHFFFAOYSA-N 0 0 323.418 0.712 50 0 DCAARN Cn1cnc(S(=O)(=O)NCCc2ccccn2)c1Cl ZINC000027937866 182499365 /nfs/dbraw/zinc/49/93/65/182499365.db2.gz ZLVPQERLULTTHE-UHFFFAOYSA-N 0 0 300.771 0.990 50 0 DCAARN CCN1CCn2c(=O)n(CCOc3ccccc3)nc2C1=O ZINC000098213018 193792026 /nfs/dbraw/zinc/79/20/26/193792026.db2.gz GRPDUFAAYRPQDY-UHFFFAOYSA-N 0 0 302.334 0.600 50 0 DCAARN COCCCNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000029107934 182552084 /nfs/dbraw/zinc/55/20/84/182552084.db2.gz FFUIVIBBXPQEAQ-ZDUSSCGKSA-N 0 0 322.340 0.398 50 0 DCAARN Cc1cccc(OCC(=O)N2CCN(CC(N)=O)CC2)c1C ZINC000030155283 182584987 /nfs/dbraw/zinc/58/49/87/182584987.db2.gz VRRNMPGYCPDJCW-UHFFFAOYSA-N 0 0 305.378 0.312 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CCCO2)cc1 ZINC000030777153 182598036 /nfs/dbraw/zinc/59/80/36/182598036.db2.gz PSQJIEGZPYTSOE-CYBMUJFWSA-N 0 0 312.391 0.569 50 0 DCAARN CC(=O)N1CCCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1 ZINC000032827743 182669269 /nfs/dbraw/zinc/66/92/69/182669269.db2.gz QYQHKCNJOZQBSK-UHFFFAOYSA-N 0 0 315.377 0.971 50 0 DCAARN O=CN1CCN(C(=O)C(=O)Nc2cccc3[nH]ccc32)CC1 ZINC000036360929 182820008 /nfs/dbraw/zinc/82/00/08/182820008.db2.gz BILKDEGFCIUJIA-UHFFFAOYSA-N 0 0 300.318 0.407 50 0 DCAARN CC[C@@H](C)N(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000037110838 182867885 /nfs/dbraw/zinc/86/78/85/182867885.db2.gz DZYNVFWHMYXZSP-SECBINFHSA-N 0 0 306.409 0.753 50 0 DCAARN Cc1noc(CNC(=O)CN2C(=O)c3ccccc3C2=O)n1 ZINC000038680834 183006192 /nfs/dbraw/zinc/00/61/92/183006192.db2.gz BAYJDRVOPZKYFZ-UHFFFAOYSA-N 0 0 300.274 0.290 50 0 DCAARN Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NC2CC2)cc1 ZINC000040284738 183051189 /nfs/dbraw/zinc/05/11/89/183051189.db2.gz WQUDSASBRKHGTC-UHFFFAOYSA-N 0 0 312.329 0.868 50 0 DCAARN NC(=O)c1ccc(S(=O)(=O)NCCc2ccccn2)cc1 ZINC000040474127 183074073 /nfs/dbraw/zinc/07/40/73/183074073.db2.gz VISWPWZNYSUTTA-UHFFFAOYSA-N 0 0 305.359 0.702 50 0 DCAARN C[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)C[C@@H](C)O1 ZINC000040489986 183079817 /nfs/dbraw/zinc/07/98/17/183079817.db2.gz VVASZPPLXPTWMY-VXGBXAGGSA-N 0 0 303.362 0.799 50 0 DCAARN Cn1ncc2c1ncn(C[C@@H](O)COc1ccccc1F)c2=O ZINC000040490206 183079842 /nfs/dbraw/zinc/07/98/42/183079842.db2.gz AVIUMTCTFKZVPY-SNVBAGLBSA-N 0 0 318.308 0.709 50 0 DCAARN COc1ncccc1CNC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000040498492 183082437 /nfs/dbraw/zinc/08/24/37/183082437.db2.gz WDZJBLACLXCKBY-UHFFFAOYSA-N 0 0 321.358 0.668 50 0 DCAARN C[C@@H](c1ccccc1F)N(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000040514089 183088620 /nfs/dbraw/zinc/08/86/20/183088620.db2.gz RNDSOFDVRPDCSM-NSHDSACASA-N 0 0 319.336 0.906 50 0 DCAARN CC(C)N(C)S(=O)(=O)N1CCN(Cc2ccncc2)CC1 ZINC000040528068 183093425 /nfs/dbraw/zinc/09/34/25/183093425.db2.gz ZNWKGIURLPRWAN-UHFFFAOYSA-N 0 0 312.439 0.784 50 0 DCAARN C[C@@H](c1nc(C(C)(C)C)no1)S(=O)(=O)CC(=O)N(C)C ZINC000040528979 183093914 /nfs/dbraw/zinc/09/39/14/183093914.db2.gz MUWGRLFNTYTAAN-QMMMGPOBSA-N 0 0 303.384 0.931 50 0 DCAARN Cc1cc(C)n2nc(C(=O)N[C@H]3CCCCNC3=O)nc2n1 ZINC000040540817 183097714 /nfs/dbraw/zinc/09/77/14/183097714.db2.gz WAALJBUEEUBVAC-JTQLQIEISA-N 0 0 302.338 0.140 50 0 DCAARN CC(=O)N1CCN(C(=O)c2ccc(C)c(S(C)(=O)=O)c2)CC1 ZINC000040549698 183099744 /nfs/dbraw/zinc/09/97/44/183099744.db2.gz GUMLWZPUDSIMNT-UHFFFAOYSA-N 0 0 324.402 0.703 50 0 DCAARN Cc1cc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)n(C)n1 ZINC000041830018 183222402 /nfs/dbraw/zinc/22/24/02/183222402.db2.gz WYMYKICVXXSYDX-SNVBAGLBSA-N 0 0 300.384 0.339 50 0 DCAARN O=C(Cn1nnc(COc2ccccc2)n1)NC[C@H]1CCOC1 ZINC000041938888 183225833 /nfs/dbraw/zinc/22/58/33/183225833.db2.gz UATRKAGTAMMULG-GFCCVEGCSA-N 0 0 317.349 0.405 50 0 DCAARN COCCCNC(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC000042900222 183317355 /nfs/dbraw/zinc/31/73/55/183317355.db2.gz TYQZSDUATSGUIG-UHFFFAOYSA-N 0 0 314.407 0.937 50 0 DCAARN O=C(NCCNc1ccccn1)NC[C@H]1CCS(=O)(=O)C1 ZINC000043783396 183385729 /nfs/dbraw/zinc/38/57/29/183385729.db2.gz TYKLJFQHTPTMLN-LLVKDONJSA-N 0 0 312.395 0.227 50 0 DCAARN Cc1ccc(S(=O)(=O)CC(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000044947284 183464593 /nfs/dbraw/zinc/46/45/93/183464593.db2.gz LNGUAYVFGFGTQQ-ZDUSSCGKSA-N 0 0 324.402 0.554 50 0 DCAARN CC(C)CS(=O)(=O)CC(=O)N[C@@H](C)c1nnc2n1CCC2 ZINC000044951859 183465928 /nfs/dbraw/zinc/46/59/28/183465928.db2.gz QUQMRBQDATVRCA-JTQLQIEISA-N 0 0 314.411 0.472 50 0 DCAARN Cc1cc(O[C@H](C)C(=O)NC(C(N)=O)C(N)=O)ccc1C(C)C ZINC000045063451 183479236 /nfs/dbraw/zinc/47/92/36/183479236.db2.gz ALGCSDZZWVIDQC-SNVBAGLBSA-N 0 0 321.377 0.341 50 0 DCAARN COC(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000046217148 183557588 /nfs/dbraw/zinc/55/75/88/183557588.db2.gz XFGHGAPRIAPLCG-JTQLQIEISA-N 0 0 308.334 0.696 50 0 DCAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1c[nH]ccc1=O ZINC000047929994 183609552 /nfs/dbraw/zinc/60/95/52/183609552.db2.gz OJDAPYUCCKNXBK-UHFFFAOYSA-N 0 0 311.297 1.000 50 0 DCAARN C[C@@H](Cc1ccco1)NC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000048229900 183629437 /nfs/dbraw/zinc/62/94/37/183629437.db2.gz DCRKDMBNJDBILQ-JQWIXIFHSA-N 0 0 300.380 0.751 50 0 DCAARN Cc1cccc(-c2noc(CN3C[C@@H](O)C[C@H]3C(N)=O)n2)c1 ZINC000106585387 194234062 /nfs/dbraw/zinc/23/40/62/194234062.db2.gz HFLORROLUAKDEX-RYUDHWBXSA-N 0 0 302.334 0.466 50 0 DCAARN COCC(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000049244911 183722381 /nfs/dbraw/zinc/72/23/81/183722381.db2.gz ZRCOKTCQHNXHNF-UHFFFAOYSA-N 0 0 306.362 0.691 50 0 DCAARN NC(=O)[C@@H]1CCN(c2cc(C(F)(F)F)nc3ncnn32)C1 ZINC000052394081 183859429 /nfs/dbraw/zinc/85/94/29/183859429.db2.gz VROLNQCJDAIPFU-ZCFIWIBFSA-N 0 0 300.244 0.455 50 0 DCAARN Cc1noc([C@@H]2CCCN(C(=O)CN3CSCC3=O)C2)n1 ZINC000054122026 183924954 /nfs/dbraw/zinc/92/49/54/183924954.db2.gz BNSSRCWQHZNING-SNVBAGLBSA-N 0 0 310.379 0.617 50 0 DCAARN COc1cccc(CCNC(=O)N2CC[C@H](C(N)=O)C2)c1OC ZINC000056423302 184012242 /nfs/dbraw/zinc/01/22/42/184012242.db2.gz CEUBKJBKKDDQLD-LBPRGKRZSA-N 0 0 321.377 0.763 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000057110169 184027370 /nfs/dbraw/zinc/02/73/70/184027370.db2.gz DWWCATQWMXYBCY-JTQLQIEISA-N 0 0 314.353 0.191 50 0 DCAARN O=C(N[C@@H]1CCCCNC1=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000056978688 184023159 /nfs/dbraw/zinc/02/31/59/184023159.db2.gz ZJYSXWLUHRLNQB-TZMCWYRMSA-N 0 0 301.346 0.965 50 0 DCAARN COCCNC(=O)Cn1c(SC)nc2ccsc2c1=O ZINC000057504847 184040237 /nfs/dbraw/zinc/04/02/37/184040237.db2.gz ZBVWSTDIROHOGV-UHFFFAOYSA-N 0 0 313.404 0.943 50 0 DCAARN COC(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000058379835 184110626 /nfs/dbraw/zinc/11/06/26/184110626.db2.gz BQPDNQKODHZRLM-QWHCGFSZSA-N 0 0 313.398 0.884 50 0 DCAARN O=C(Nc1ccc[nH]c1=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000058269099 184098320 /nfs/dbraw/zinc/09/83/20/184098320.db2.gz SHAFCVSADOPVJB-JTQLQIEISA-N 0 0 301.302 0.955 50 0 DCAARN C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(=O)onc1-c1ncccn1 ZINC000058293034 184101364 /nfs/dbraw/zinc/10/13/64/184101364.db2.gz TTWKOBHYIHKTMR-MNOVXSKESA-N 0 0 317.349 0.988 50 0 DCAARN CCS(=O)(=O)N1CCc2c(c(-c3nc(C)no3)nn2C)C1 ZINC000064566493 184300056 /nfs/dbraw/zinc/30/00/56/184300056.db2.gz CCMMSOZEXZLYMU-UHFFFAOYSA-N 0 0 311.367 0.486 50 0 DCAARN COCCn1cc(CC(=O)N2CCN(C)CC2)c2cccnc21 ZINC000065156200 184312727 /nfs/dbraw/zinc/31/27/27/184312727.db2.gz YRWCQHJOIPCTJZ-UHFFFAOYSA-N 0 0 316.405 0.999 50 0 DCAARN NC(=O)[C@H]1CN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CCO1 ZINC000065263349 184319009 /nfs/dbraw/zinc/31/90/09/184319009.db2.gz KRMSRAUSMRJEOF-ZIAGYGMSSA-N 0 0 321.352 0.332 50 0 DCAARN NC(=O)Cn1cc(NC(=O)N2CCc3ccc(O)cc3C2)cn1 ZINC000065408965 184339217 /nfs/dbraw/zinc/33/92/17/184339217.db2.gz ZGEABSMXZZRZND-UHFFFAOYSA-N 0 0 315.333 0.664 50 0 DCAARN COc1ncccc1CNC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000065411668 184340688 /nfs/dbraw/zinc/34/06/88/184340688.db2.gz LPMYJILPPNJQER-CYBMUJFWSA-N 0 0 306.366 0.900 50 0 DCAARN Cc1cn2c(n1)CC[C@@H](NC(=O)c1cccnc1-n1cncn1)C2 ZINC000065457355 184348260 /nfs/dbraw/zinc/34/82/60/184348260.db2.gz MCQKQNISOCCABA-GFCCVEGCSA-N 0 0 323.360 0.912 50 0 DCAARN Cc1ccccc1SCC(=O)N1CCN2CCNC(=O)[C@@H]2C1 ZINC000065493871 184354467 /nfs/dbraw/zinc/35/44/67/184354467.db2.gz ZAFMJKRGHVXKTG-ZDUSSCGKSA-N 0 0 319.430 0.730 50 0 DCAARN Cc1csc([C@H]2CN(c3ccc4nnnn4n3)CCO2)n1 ZINC000065474511 184351402 /nfs/dbraw/zinc/35/14/02/184351402.db2.gz PIRNFZSTKCJSKO-SECBINFHSA-N 0 0 303.351 0.862 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](NS(=O)(=O)/C=C/c2ccccc2)CN1C ZINC000065395288 184335491 /nfs/dbraw/zinc/33/54/91/184335491.db2.gz ZEYYEUBPJYCZMY-VRZZLATASA-N 0 0 324.402 0.822 50 0 DCAARN C[C@H](NC(=O)NC1CCN(CC(N)=O)CC1)c1ccncc1 ZINC000065611056 184373139 /nfs/dbraw/zinc/37/31/39/184373139.db2.gz KLZHUVIDHJQTBK-NSHDSACASA-N 0 0 305.382 0.392 50 0 DCAARN CCN(C(=O)c1ccc2c(c1)OCCCO2)[C@@H]1CC(=O)NC1=O ZINC000065607650 184372050 /nfs/dbraw/zinc/37/20/50/184372050.db2.gz IBGNVSJTVLTCGZ-LLVKDONJSA-N 0 0 318.329 0.725 50 0 DCAARN CC(=O)NCCNC(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000065609283 184372607 /nfs/dbraw/zinc/37/26/07/184372607.db2.gz AHIJRZFCXWBZQQ-UHFFFAOYSA-N 0 0 307.350 0.384 50 0 DCAARN COc1ccc(CC(=O)NC[C@H]2CN(C)CCO2)cc1OC ZINC000065495768 184354721 /nfs/dbraw/zinc/35/47/21/184354721.db2.gz YLADYAHRAMXQSQ-ZDUSSCGKSA-N 0 0 308.378 0.693 50 0 DCAARN COC(=O)c1ccc2c(c1)CCN2C(=O)C1=NN(C)C(=O)CC1 ZINC000065515897 184357809 /nfs/dbraw/zinc/35/78/09/184357809.db2.gz GHGQLOKKJCIBQP-UHFFFAOYSA-N 0 0 315.329 0.971 50 0 DCAARN CCOC(=O)[C@H]1C(=O)NC[C@H]1c1cc2c(c(OC)c1)OCO2 ZINC000066091582 184388458 /nfs/dbraw/zinc/38/84/58/184388458.db2.gz QTMQEUMTOMGEOS-JOYOIKCWSA-N 0 0 307.302 0.817 50 0 DCAARN C[C@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)CC(C)(C)O1 ZINC000065612000 184373794 /nfs/dbraw/zinc/37/37/94/184373794.db2.gz NUCDQWNUHPVPNU-JTQLQIEISA-N 0 0 318.381 0.815 50 0 DCAARN CC(=O)N[C@H]1CCCN(C(=O)NCCNc2cnccn2)C1 ZINC000065621949 184374795 /nfs/dbraw/zinc/37/47/95/184374795.db2.gz VHPKMUSGKTUVOW-LBPRGKRZSA-N 0 0 306.370 0.199 50 0 DCAARN Cc1cccc(CCNC(=O)CN2CCS(=O)(=O)CC2)c1 ZINC000069490241 184519387 /nfs/dbraw/zinc/51/93/87/184519387.db2.gz YCFBSXHGTVEMDU-UHFFFAOYSA-N 0 0 310.419 0.384 50 0 DCAARN CCOc1ccnc(N2CCN(C(=O)COCC3CC3)CC2)n1 ZINC000069518101 184522279 /nfs/dbraw/zinc/52/22/79/184522279.db2.gz YJPJNDWYXIJHMK-UHFFFAOYSA-N 0 0 320.393 0.951 50 0 DCAARN CC1(C)COc2c1cccc2C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000286495525 219019021 /nfs/dbraw/zinc/01/90/21/219019021.db2.gz MWNTZROQTUQCHV-MRXNPFEDSA-N 0 0 304.346 0.419 50 0 DCAARN O=c1[nH]c2cc3c(cc2cc1CN1CCCNC(=O)C1)OCO3 ZINC000067841411 285198941 /nfs/dbraw/zinc/19/89/41/285198941.db2.gz AZYXHOMJCHJKIA-UHFFFAOYSA-N 0 0 315.329 0.579 50 0 DCAARN CC[N@@H+]1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O ZINC000242688103 285254247 /nfs/dbraw/zinc/25/42/47/285254247.db2.gz VFTQFIAOSCQNOF-ZRTFPUAOSA-N 0 0 306.362 0.337 50 0 DCAARN O=C(N[C@@H]1C[C@H](O)[C@H](CO)C1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000247958125 256608762 /nfs/dbraw/zinc/60/87/62/256608762.db2.gz OOKPCJYMMATMRP-OSFYFWSMSA-N 0 0 318.373 0.288 50 0 DCAARN CCOC(=O)c1cnc(N[C@@H](CO)CN2CCOCC2)nc1C ZINC000521398673 257234532 /nfs/dbraw/zinc/23/45/32/257234532.db2.gz YGLSAWQCYMGDLE-GFCCVEGCSA-N 0 0 324.381 0.067 50 0 DCAARN C[C@@H](O)CNS(=O)(=O)CC1CN(C(=O)c2ccccc2)C1 ZINC000521398247 257240141 /nfs/dbraw/zinc/24/01/41/257240141.db2.gz IGXNZCXCTXDFGJ-LLVKDONJSA-N 0 0 312.391 0.059 50 0 DCAARN CCS(=O)(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2 ZINC000426740450 257243237 /nfs/dbraw/zinc/24/32/37/257243237.db2.gz JPPZIJUKLIAHJA-UHFFFAOYSA-N 0 0 314.411 0.321 50 0 DCAARN CCn1c(C)ccc(C(=O)NCCSc2c[nH]nn2)c1=O ZINC000426723866 257243422 /nfs/dbraw/zinc/24/34/22/257243422.db2.gz KTDISUQYOWWXFB-UHFFFAOYSA-N 0 0 307.379 0.817 50 0 DCAARN Cn1c(CNC(=O)N2CCC[C@@H](C(N)=O)C2)nc2ccccc21 ZINC000426698519 257244210 /nfs/dbraw/zinc/24/42/10/257244210.db2.gz XNZRPGUXOLMXAX-LLVKDONJSA-N 0 0 315.377 0.980 50 0 DCAARN O=C([O-])CC[NH+]1CCN(C(=O)CN2Cc3ccccc3C2)CC1 ZINC000426642909 257245426 /nfs/dbraw/zinc/24/54/26/257245426.db2.gz OFDUNROSDLAIGQ-UHFFFAOYSA-N 0 0 317.389 0.621 50 0 DCAARN Cc1cnn(CC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)c1 ZINC000426596412 257246040 /nfs/dbraw/zinc/24/60/40/257246040.db2.gz ACELCCDGVBQLHY-LBPRGKRZSA-N 0 0 319.365 0.028 50 0 DCAARN CN1CC[NH+](CCC(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000426549888 257246910 /nfs/dbraw/zinc/24/69/10/257246910.db2.gz HEAXLQSWMKLYAS-UHFFFAOYSA-N 0 0 305.378 0.639 50 0 DCAARN CN1C[C@]2(CCN(C(=O)NCc3cccs3)C2)OCC1=O ZINC000426550682 257247309 /nfs/dbraw/zinc/24/73/09/257247309.db2.gz VBYZUZDYOGDXSH-AWEZNQCLSA-N 0 0 309.391 0.891 50 0 DCAARN CCCc1noc(CN(C)C(=O)[C@H]2CCS(=O)(=O)C2)n1 ZINC000426521224 257247818 /nfs/dbraw/zinc/24/78/18/257247818.db2.gz LKCJGNYENRTTEN-VIFPVBQESA-N 0 0 301.368 0.415 50 0 DCAARN O=C(CCn1cnnc1)N1CCC[C@H](c2ccn(CCO)n2)C1 ZINC000426509504 257248474 /nfs/dbraw/zinc/24/84/74/257248474.db2.gz PYMAORXJPBPTPS-ZDUSSCGKSA-N 0 0 318.381 0.263 50 0 DCAARN Cc1cccn2cc(C(=O)N3CCN4C(=O)OC[C@H]4C3)nc12 ZINC000426422007 257249979 /nfs/dbraw/zinc/24/99/79/257249979.db2.gz QGZLBLRXQSOWBI-LLVKDONJSA-N 0 0 300.318 0.919 50 0 DCAARN O=C(NCCCOc1cccnc1)N1CCS(=O)(=O)CC1 ZINC000426465093 257250070 /nfs/dbraw/zinc/25/00/70/257250070.db2.gz FXJOQTZUYQAAEA-UHFFFAOYSA-N 0 0 313.379 0.291 50 0 DCAARN CC[C@@H]1C(=O)N(C)CCN1C(=O)c1nnc2nc(C)ccn21 ZINC000426397651 257252618 /nfs/dbraw/zinc/25/26/18/257252618.db2.gz WJBVHOXTJIXARC-SNVBAGLBSA-N 0 0 302.338 0.126 50 0 DCAARN COc1ccc(CNC(=O)N2CCN(C)[C@@H](CCO)C2)cc1 ZINC000426369452 257253400 /nfs/dbraw/zinc/25/34/00/257253400.db2.gz WZJXWHHLLMWKAO-AWEZNQCLSA-N 0 0 307.394 0.903 50 0 DCAARN CCN(CC)S(=O)(=O)CCNC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000071883619 184887122 /nfs/dbraw/zinc/88/71/22/184887122.db2.gz UUDXKIXUVMYNDX-VXGBXAGGSA-N 0 0 321.443 0.477 50 0 DCAARN CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1sc(=O)[nH]c1C ZINC000071922157 184906767 /nfs/dbraw/zinc/90/67/67/184906767.db2.gz KGEJAMXVSCQAQH-QMMMGPOBSA-N 0 0 319.408 0.034 50 0 DCAARN COc1ccc2nnc(CCC(=O)N[C@@H](CO)C(C)C)n2n1 ZINC000409413004 533353630 /nfs/dbraw/zinc/35/36/30/533353630.db2.gz UHQDERVAAASHHL-JTQLQIEISA-N 0 0 307.354 0.199 50 0 DCAARN NC(=O)[C@]1(O)CCCN(c2ncncc2Br)C1 ZINC000284637189 131098642 /nfs/dbraw/zinc/09/86/42/131098642.db2.gz NSWSPMWRXZDFSG-JTQLQIEISA-N 0 0 301.144 0.056 50 0 DCAARN O[C@]1(c2cn[nH]n2)CCN(Cc2ncnn2-c2ccccc2)C1 ZINC000284854991 131115922 /nfs/dbraw/zinc/11/59/22/131115922.db2.gz QRWAXWLSRJEKTJ-OAHLLOKOSA-N 0 0 311.349 0.479 50 0 DCAARN C[C@H]1OCCN(CCc2nc3ccccc3n2C)[C@@H]1C(N)=O ZINC000285259654 131151717 /nfs/dbraw/zinc/15/17/17/131151717.db2.gz RSEQBUUAXVXXMI-ABAIWWIYSA-N 0 0 302.378 0.690 50 0 DCAARN COC(=O)c1ccc(C(=O)N[C@](C)(CC(C)C)C(N)=O)nc1 ZINC000071896847 292008560 /nfs/dbraw/zinc/00/85/60/292008560.db2.gz KCOKORSJLAHAQZ-OAHLLOKOSA-N 0 0 307.350 0.888 50 0 DCAARN O=S1(=O)C[C@@H]2NC(=S)N(c3ccc(F)cc3F)[C@H]2C1 ZINC000009341050 296493126 /nfs/dbraw/zinc/49/31/26/296493126.db2.gz KSTVTTFNMLJMNA-WPRPVWTQSA-N 0 0 304.343 0.825 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)N(C)[C@@H](CO)C(C)(C)C)[C@H](C)CO1 ZINC000128487934 195968179 /nfs/dbraw/zinc/96/81/79/195968179.db2.gz JUUIDQXZIVHUNP-UTUOFQBUSA-N 0 0 308.444 0.679 50 0 DCAARN O=c1c2cnc(N3CCOCC3)nc2ccn1C[C@H]1CCCO1 ZINC000039383860 134708029 /nfs/dbraw/zinc/70/80/29/134708029.db2.gz OUSZMRDZMLLARE-GFCCVEGCSA-N 0 0 316.361 0.807 50 0 DCAARN C[C@@H](Sc1nnnn1C1CCCC1)C(=O)N1CCNC1=O ZINC000008230862 395684343 /nfs/dbraw/zinc/68/43/43/395684343.db2.gz LBKIZWOLALATPH-MRVPVSSYSA-N 0 0 310.383 0.821 50 0 DCAARN Cn1c(SCC(=O)N2CCNC2=O)nc2ccsc2c1=O ZINC000008327317 395684389 /nfs/dbraw/zinc/68/43/89/395684389.db2.gz JJOCUHVUOMOZQX-UHFFFAOYSA-N 0 0 324.387 0.639 50 0 DCAARN CCOc1ccc(N2C[C@H](CNS(C)(=O)=O)CC2=O)cc1 ZINC000009035935 395684987 /nfs/dbraw/zinc/68/49/87/395684987.db2.gz ISBJNJJQRZCTJN-NSHDSACASA-N 0 0 312.391 0.987 50 0 DCAARN CC[C@H](C)NC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 ZINC000009117849 395685203 /nfs/dbraw/zinc/68/52/03/395685203.db2.gz MUCQQIKGIZCYJV-JTQLQIEISA-N 0 0 311.407 0.611 50 0 DCAARN COCCNC(=O)C(=O)N[C@@H]1c2ccccc2N(C(C)C)C1=O ZINC000009305147 395685255 /nfs/dbraw/zinc/68/52/55/395685255.db2.gz XKDHXFFXJFCGEG-CYBMUJFWSA-N 0 0 319.361 0.362 50 0 DCAARN O=C1C2=C(CN1CCCO)NC(=O)N[C@H]2c1ccc(O)cc1 ZINC000009317385 395685280 /nfs/dbraw/zinc/68/52/80/395685280.db2.gz JEKFNMOONKHJKI-ZDUSSCGKSA-N 0 0 303.318 0.225 50 0 DCAARN CN1C(=O)N[C@@](NC(=O)c2cccnc2)(C(F)(F)F)C1=O ZINC000009419697 395685367 /nfs/dbraw/zinc/68/53/67/395685367.db2.gz SPTSORXTUBPCSI-SNVBAGLBSA-N 0 0 302.212 0.456 50 0 DCAARN CCc1nnc(NC(=O)CCN2C(=O)NC(C)(C)C2=O)s1 ZINC000009613977 395685456 /nfs/dbraw/zinc/68/54/56/395685456.db2.gz HRSNRQBVIRVEOB-UHFFFAOYSA-N 0 0 311.367 0.760 50 0 DCAARN COC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(C)(C)C2=O)c1C ZINC000009833828 395685581 /nfs/dbraw/zinc/68/55/81/395685581.db2.gz QZBTVAGYVJEFQX-UHFFFAOYSA-N 0 0 321.333 0.931 50 0 DCAARN NC(=O)CSc1nnc(-c2ccncc2)n1CCCCO ZINC000010312585 395686075 /nfs/dbraw/zinc/68/60/75/395686075.db2.gz ONXWCPCEVLBCLW-UHFFFAOYSA-N 0 0 307.379 0.690 50 0 DCAARN Cn1c(CSc2nnc3n2CCCCC3)cc(=O)n(C)c1=O ZINC000011318416 395686463 /nfs/dbraw/zinc/68/64/63/395686463.db2.gz WTFIIFLHISLRLB-UHFFFAOYSA-N 0 0 321.406 0.694 50 0 DCAARN COc1ccc(NC(C)=O)cc1NCC(=O)N1CCNC1=O ZINC000011620444 395686644 /nfs/dbraw/zinc/68/66/44/395686644.db2.gz BDBJRBUUQPYDKD-UHFFFAOYSA-N 0 0 306.322 0.617 50 0 DCAARN CN(C)c1nc2nonc2nc1NCCN1CCCCC1=O ZINC000012023855 395686895 /nfs/dbraw/zinc/68/68/95/395686895.db2.gz VTBNMLWTYSSOJL-UHFFFAOYSA-N 0 0 305.342 0.503 50 0 DCAARN COc1ccc(CCNC(=O)c2ccc(=O)n(C)n2)cc1OC ZINC000012169703 395687121 /nfs/dbraw/zinc/68/71/21/395687121.db2.gz HBJLLPUTRZFBJD-UHFFFAOYSA-N 0 0 317.345 0.770 50 0 DCAARN O=C(C[C@@H]1CSc2nccc(=O)n21)NCc1ccccn1 ZINC000012666847 395687938 /nfs/dbraw/zinc/68/79/38/395687938.db2.gz USEFTCBNCQSILA-LLVKDONJSA-N 0 0 302.359 0.992 50 0 DCAARN Nc1nccnc1C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000012816464 395687957 /nfs/dbraw/zinc/68/79/57/395687957.db2.gz RBPXKVJOIOBYOI-UHFFFAOYSA-N 0 0 314.349 0.220 50 0 DCAARN C[C@H](OC(=O)c1ccccn1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000012863161 395688052 /nfs/dbraw/zinc/68/80/52/395688052.db2.gz VUSZCOLIVNYJNX-QMMMGPOBSA-N 0 0 312.289 0.932 50 0 DCAARN COc1ccc(OCCN(C)C(=O)C2=NNC(=O)CC2)cc1 ZINC000012906363 395688222 /nfs/dbraw/zinc/68/82/22/395688222.db2.gz VJBNKNBUZAJESJ-UHFFFAOYSA-N 0 0 305.334 0.798 50 0 DCAARN Cc1cc(S(=O)(=O)N2CCN(CCO)CC2)ccc1F ZINC000012998464 395688275 /nfs/dbraw/zinc/68/82/75/395688275.db2.gz JIKJVSXJXJYLTD-UHFFFAOYSA-N 0 0 302.371 0.433 50 0 DCAARN CCn1nnc2c1ncn(CC(=O)N1CCCCCC1)c2=O ZINC000013531324 395688603 /nfs/dbraw/zinc/68/86/03/395688603.db2.gz PRVZBJFIKLSLPN-UHFFFAOYSA-N 0 0 304.354 0.411 50 0 DCAARN Cn1cc(CNC(=O)C[C@@H]2C(=O)NCCN2CC(C)(C)C)cn1 ZINC000013596975 395688740 /nfs/dbraw/zinc/68/87/40/395688740.db2.gz ONJCLVDPIZTGEX-CYBMUJFWSA-N 0 0 321.425 0.273 50 0 DCAARN CC1CCN(C(=O)C2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000013677584 395688770 /nfs/dbraw/zinc/68/87/70/395688770.db2.gz KMOYFLJZKITBKC-UHFFFAOYSA-N 0 0 317.455 0.763 50 0 DCAARN COc1cc(NC(=O)C[C@H]2C(=O)Nc3ncnn32)cc(OC)c1 ZINC000013691788 395688773 /nfs/dbraw/zinc/68/87/73/395688773.db2.gz KWVOMUZKRXGERO-NSHDSACASA-N 0 0 317.305 0.817 50 0 DCAARN Cc1cccc(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1C ZINC000013727253 395688958 /nfs/dbraw/zinc/68/89/58/395688958.db2.gz PQLDSTHIIRVRQT-JKSUJKDBSA-N 0 0 324.446 0.583 50 0 DCAARN C/C=C/Cn1c(SCC(=O)OC)nc2c1c(=O)[nH]c(=O)n2C ZINC000013756547 395688971 /nfs/dbraw/zinc/68/89/71/395688971.db2.gz FGXXEVONVAGPAZ-SNAWJCMRSA-N 0 0 324.362 0.265 50 0 DCAARN CC(C)CNC(=O)NC(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000014142013 395689250 /nfs/dbraw/zinc/68/92/50/395689250.db2.gz LFTXVKQHTCPLHO-QMMMGPOBSA-N 0 0 312.399 0.970 50 0 DCAARN CCCn1c(=O)[nH]nc1SCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000014201378 395689322 /nfs/dbraw/zinc/68/93/22/395689322.db2.gz KYELVDCVZXWYEP-NXEZZACHSA-N 0 0 314.411 0.709 50 0 DCAARN O=c1n2ccccc2nn1CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000014266405 395689502 /nfs/dbraw/zinc/68/95/02/395689502.db2.gz SCOURPIKRDDIOK-GFCCVEGCSA-N 0 0 322.390 0.105 50 0 DCAARN CS(=O)(=O)c1ccc(N2CCN(CCO)CC2)c(Cl)c1 ZINC000015443297 395690023 /nfs/dbraw/zinc/69/00/23/395690023.db2.gz WVQPINFUIUHSOE-UHFFFAOYSA-N 0 0 318.826 0.858 50 0 DCAARN O=C(c1cccnc1N1CCN(CCO)CC1)N1CCCCC1 ZINC000020031182 395691128 /nfs/dbraw/zinc/69/11/28/395691128.db2.gz OKSGRDHCLALWCE-UHFFFAOYSA-N 0 0 318.421 0.822 50 0 DCAARN COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000019999716 395691192 /nfs/dbraw/zinc/69/11/92/395691192.db2.gz UCWXLQPEBXTLHL-AWEZNQCLSA-N 0 0 309.362 0.970 50 0 DCAARN CC(C)Nc1nc(N2CCN(CCO)CC2)nc2c1cnn2C ZINC000021929624 395691733 /nfs/dbraw/zinc/69/17/33/395691733.db2.gz FECJTEPAEJYTJY-UHFFFAOYSA-N 0 0 319.413 0.298 50 0 DCAARN COCCN1CCN(c2c3c(nc4ncnn42)CCCC3)CC1 ZINC000022335268 395691788 /nfs/dbraw/zinc/69/17/88/395691788.db2.gz GYXPAJDWBBJMQN-UHFFFAOYSA-N 0 0 316.409 0.772 50 0 DCAARN CC(C)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000000052525 395679639 /nfs/dbraw/zinc/67/96/39/395679639.db2.gz RLIMVZZFYTWIKH-UHFFFAOYSA-N 0 0 321.402 0.936 50 0 DCAARN CC(=O)N[C@H](C)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000025407311 395693511 /nfs/dbraw/zinc/69/35/11/395693511.db2.gz WYMAWEXELUSQGU-LLVKDONJSA-N 0 0 306.366 0.059 50 0 DCAARN CCOC(=O)NC(=O)c1cn(Cc2ccco2)c(=O)[nH]c1=O ZINC000000169553 395679901 /nfs/dbraw/zinc/67/99/01/395679901.db2.gz OBEHTTNNGKBUHK-UHFFFAOYSA-N 0 0 307.262 0.064 50 0 DCAARN NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(N)(=O)=O)ccc1-2 ZINC000000134278 395679952 /nfs/dbraw/zinc/67/99/52/395679952.db2.gz OWMPZHPWGQQWFN-UHFFFAOYSA-N 0 0 324.383 0.553 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000000372127 395680295 /nfs/dbraw/zinc/68/02/95/395680295.db2.gz VHJXGHCVUGYRMS-UHFFFAOYSA-N 0 0 315.738 0.826 50 0 DCAARN COc1ccc(S(N)(=O)=O)cc1I ZINC000000382762 395680313 /nfs/dbraw/zinc/68/03/13/395680313.db2.gz PPDJKJNSLQODBV-UHFFFAOYSA-N 0 0 313.116 0.947 50 0 DCAARN COc1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1 ZINC000000610045 395680527 /nfs/dbraw/zinc/68/05/27/395680527.db2.gz UADCFLQVMSLGQK-UHFFFAOYSA-N 0 0 303.322 0.208 50 0 DCAARN Cc1cc(Oc2ccc(=O)n(C)n2)nc(SCC(N)=O)n1 ZINC000000532310 395680593 /nfs/dbraw/zinc/68/05/93/395680593.db2.gz FBYUYSUFPPVSFZ-UHFFFAOYSA-N 0 0 307.335 0.248 50 0 DCAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cccnc2)cc1 ZINC000001055210 395680643 /nfs/dbraw/zinc/68/06/43/395680643.db2.gz APEDBGBZVGSEJX-UHFFFAOYSA-N 0 0 305.359 0.702 50 0 DCAARN COc1ccc(N([C@@H]2C=CS(=O)(=O)C2)S(C)(=O)=O)cc1 ZINC000001254065 395680705 /nfs/dbraw/zinc/68/07/05/395680705.db2.gz GUOOLDPDPJXVKU-LLVKDONJSA-N 0 0 317.388 0.772 50 0 DCAARN CCCCn1c(SCC(C)=O)nc2c1c(=O)[nH]c(=O)n2C ZINC000001821665 395681156 /nfs/dbraw/zinc/68/11/56/395681156.db2.gz ZUFIWWUCXJITCP-UHFFFAOYSA-N 0 0 310.379 0.905 50 0 DCAARN NC(=[NH2+])NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001793698 395681168 /nfs/dbraw/zinc/68/11/68/395681168.db2.gz SJSSFUMSAFMFNM-LLVKDONJSA-N 0 0 308.338 0.629 50 0 DCAARN CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@H](C)[NH3+])CC1)C(=O)[O-] ZINC000002138069 395681276 /nfs/dbraw/zinc/68/12/76/395681276.db2.gz PNYHQGAKHDCYEJ-SCVCMEIPSA-N 0 0 313.398 0.188 50 0 biogenic DCAARN O=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1cccc(Cl)c1 ZINC000002638093 395681669 /nfs/dbraw/zinc/68/16/69/395681669.db2.gz AEVATRVGSKDJTP-UHFFFAOYSA-N 0 0 323.692 0.924 50 0 DCAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccncc2)cc1 ZINC000002645303 395681694 /nfs/dbraw/zinc/68/16/94/395681694.db2.gz RNHFJXKKZQLJFK-UHFFFAOYSA-N 0 0 305.359 0.702 50 0 DCAARN CCOC(=O)COc1cccc2c1ccn(CC(N)=O)c2=O ZINC000002712202 395681773 /nfs/dbraw/zinc/68/17/73/395681773.db2.gz NHKCSVZDWYUIRA-UHFFFAOYSA-N 0 0 304.302 0.429 50 0 DCAARN COc1ccc(CCNC(=O)C(=O)N2CCCC2)cc1OC ZINC000003168261 395682252 /nfs/dbraw/zinc/68/22/52/395682252.db2.gz ALKWLASOGKFAFC-UHFFFAOYSA-N 0 0 306.362 0.985 50 0 DCAARN O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H]1CCCO1 ZINC000003072967 395682268 /nfs/dbraw/zinc/68/22/68/395682268.db2.gz HGRWRGLPUQFOJU-LLVKDONJSA-N 0 0 306.318 0.327 50 0 DCAARN O=C(COC(=O)[C@H]1COc2ccccc2O1)N1CCCC1=O ZINC000003278863 395682386 /nfs/dbraw/zinc/68/23/86/395682386.db2.gz IOBVONDFDWSTJR-GFCCVEGCSA-N 0 0 305.286 0.519 50 0 DCAARN COCCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C ZINC000004247352 395682556 /nfs/dbraw/zinc/68/25/56/395682556.db2.gz AEIPREFHXYNCGM-UHFFFAOYSA-N 0 0 312.395 0.818 50 0 DCAARN CCOC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1 ZINC000006727740 395683063 /nfs/dbraw/zinc/68/30/63/395683063.db2.gz FUPOGECSHQBXCS-UHFFFAOYSA-N 0 0 315.347 0.705 50 0 DCAARN C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1Cc2ccccc2C1=O ZINC000085432561 395700299 /nfs/dbraw/zinc/70/02/99/395700299.db2.gz ODOXBLGVCISOFR-PWSUYJOCSA-N 0 0 322.386 0.334 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CCN(C[C@@H](O)C2CC2)CC1 ZINC000085436700 395700418 /nfs/dbraw/zinc/70/04/18/395700418.db2.gz VWWGAAWKGXHONP-OAHLLOKOSA-N 0 0 307.394 0.749 50 0 DCAARN CNC(=O)c1ccc(CN(C)Cc2nnnn2C2CC2)cc1 ZINC000029932908 395700915 /nfs/dbraw/zinc/70/09/15/395700915.db2.gz DAFXKBCHVYRDHB-UHFFFAOYSA-N 0 0 300.366 1.000 50 0 DCAARN O=C(c1ccccc1)N1CCN(Cc2nnnn2C2CC2)CC1 ZINC000029961424 395700918 /nfs/dbraw/zinc/70/09/18/395700918.db2.gz BTRDZOFGJZPWJU-UHFFFAOYSA-N 0 0 312.377 0.966 50 0 DCAARN O=C(CN1C(=O)CCC1=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000085473041 395701450 /nfs/dbraw/zinc/70/14/50/395701450.db2.gz BYSHLDZQRUDYMF-AWEZNQCLSA-N 0 0 316.357 0.606 50 0 DCAARN C[C@H](C(=O)NCc1ccnc(N2CCOCC2)c1)n1cncn1 ZINC000030108490 395701454 /nfs/dbraw/zinc/70/14/54/395701454.db2.gz LNTYOKMPIHGIPU-GFCCVEGCSA-N 0 0 316.365 0.387 50 0 DCAARN O=C(c1ccc(=O)[nH]n1)N1CCC(Oc2cnccn2)CC1 ZINC000085471782 395701628 /nfs/dbraw/zinc/70/16/28/395701628.db2.gz DBBCYFHUHAOSTD-UHFFFAOYSA-N 0 0 301.306 0.656 50 0 DCAARN Cn1cccc(C(=O)NC[C@H](O)c2ccc3c(c2)CCO3)c1=O ZINC000085558943 395701658 /nfs/dbraw/zinc/70/16/58/395701658.db2.gz ZKNNNZWLCXWSMM-AWEZNQCLSA-N 0 0 314.341 0.784 50 0 DCAARN COc1ncccc1CNC(=O)c1ccc(-n2cnnn2)cc1 ZINC000030306406 395702335 /nfs/dbraw/zinc/70/23/35/395702335.db2.gz MGELQXBCBNVHJM-UHFFFAOYSA-N 0 0 310.317 0.996 50 0 DCAARN CCCCNC(=O)Cc1noc(CN2CCN(CC)CC2)n1 ZINC000030921153 395704686 /nfs/dbraw/zinc/70/46/86/395704686.db2.gz BPLKGSXVENXFKF-UHFFFAOYSA-N 0 0 309.414 0.666 50 0 DCAARN C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CCN(c2nccs2)CC1 ZINC000031537496 395707151 /nfs/dbraw/zinc/70/71/51/395707151.db2.gz AAOXOMDJANNKQZ-NEPJUHHUSA-N 0 0 322.434 0.954 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1Cl ZINC000031649078 395707744 /nfs/dbraw/zinc/70/77/44/395707744.db2.gz OQCRQSHTRHNUQW-LLVKDONJSA-N 0 0 310.737 0.844 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccccc1Cl ZINC000031649074 395707812 /nfs/dbraw/zinc/70/78/12/395707812.db2.gz OQCRQSHTRHNUQW-NSHDSACASA-N 0 0 310.737 0.844 50 0 DCAARN COCCNC(=O)c1nc2ccccc2c(=O)n1CCOC ZINC000032073615 395708840 /nfs/dbraw/zinc/70/88/40/395708840.db2.gz XWNMYVJFDWHBNB-UHFFFAOYSA-N 0 0 305.334 0.419 50 0 DCAARN O=C(c1ccc2c(c1)C(=O)N(C1CC1)C2=O)N1CCNC(=O)C1 ZINC000032074017 395708967 /nfs/dbraw/zinc/70/89/67/395708967.db2.gz ZDLRBMUFQCXQTI-UHFFFAOYSA-N 0 0 313.313 0.017 50 0 DCAARN COCCNC(=O)[C@@H]1CCCN(c2ccc3nncn3n2)C1 ZINC000032104014 395709361 /nfs/dbraw/zinc/70/93/61/395709361.db2.gz WPZSMNPMEHOGEI-LLVKDONJSA-N 0 0 304.354 0.103 50 0 DCAARN Cn1c2ncn(CCOc3cccc(F)c3)c2c(=O)n(C)c1=O ZINC000032323556 395710273 /nfs/dbraw/zinc/71/02/73/395710273.db2.gz SUIZEMSNTCDXDF-UHFFFAOYSA-N 0 0 318.308 0.652 50 0 DCAARN C[C@@H]1C[C@@H]1CNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000032383542 395710665 /nfs/dbraw/zinc/71/06/65/395710665.db2.gz BUNRFIDJSJSPNW-GHMZBOCLSA-N 0 0 301.346 0.852 50 0 DCAARN Cc1cc(C)c(C(N)=O)c(N(C)C[C@@H](C)N2CCOCC2)n1 ZINC000032558414 395711512 /nfs/dbraw/zinc/71/15/12/395711512.db2.gz NATWLTFZJVFRDN-CYBMUJFWSA-N 0 0 306.410 0.954 50 0 DCAARN Cc1nc(CCNC(=O)[C@@H]2CC(=O)OC23CCCC3)cc(=O)[nH]1 ZINC000032580943 395711658 /nfs/dbraw/zinc/71/16/58/395711658.db2.gz RCSMAICQVWJFHP-LBPRGKRZSA-N 0 0 319.361 0.613 50 0 DCAARN CN(C)C(=O)[C@@H]1CCCN1CCn1nc2ccccn2c1=O ZINC000032778043 395713265 /nfs/dbraw/zinc/71/32/65/395713265.db2.gz UXBUNIPBHXZDQM-LBPRGKRZSA-N 0 0 303.366 0.049 50 0 DCAARN O=C(Cn1cnc2ccc(F)cc2c1=O)NC[C@H]1CCCO1 ZINC000032795040 395713774 /nfs/dbraw/zinc/71/37/74/395713774.db2.gz LTMSOOGJYNRQBE-LLVKDONJSA-N 0 0 305.309 0.831 50 0 DCAARN COC[C@@H](C)NC(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O ZINC000032827191 395713816 /nfs/dbraw/zinc/71/38/16/395713816.db2.gz XWAHHSYAENHCKE-SECBINFHSA-N 0 0 320.393 0.962 50 0 DCAARN CS(=O)(=O)N1CCCN(C(=O)COc2ccccc2)CC1 ZINC000032796891 395713901 /nfs/dbraw/zinc/71/39/01/395713901.db2.gz DTIJAMBUINVPRB-UHFFFAOYSA-N 0 0 312.391 0.559 50 0 DCAARN CCN(CC)S(=O)(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000032825844 395713945 /nfs/dbraw/zinc/71/39/45/395713945.db2.gz FKIRWSAFQQKQKX-CYBMUJFWSA-N 0 0 307.460 0.519 50 0 DCAARN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCN([C@H]2CCOC2)CC1 ZINC000089885271 395715916 /nfs/dbraw/zinc/71/59/16/395715916.db2.gz LYTLRHCRUYQJOK-OLZOCXBDSA-N 0 0 312.414 0.016 50 0 DCAARN C[C@H](CNC(=O)NCc1nnc2ccccn21)N1CCOCC1 ZINC000089901137 395716396 /nfs/dbraw/zinc/71/63/96/395716396.db2.gz ZEEHOVCHSGMWTF-GFCCVEGCSA-N 0 0 318.381 0.249 50 0 DCAARN O=C(Cn1c(=O)ccn(Cc2ccc(F)cc2)c1=O)NC1CC1 ZINC000033331076 395716905 /nfs/dbraw/zinc/71/69/05/395716905.db2.gz IIGSWPXSBQCGPI-UHFFFAOYSA-N 0 0 317.320 0.476 50 0 DCAARN C[C@@]1(C(=O)N[C@H]2CCS(=O)(=O)C2)Oc2ccccc2NC1=O ZINC000036358863 395723194 /nfs/dbraw/zinc/72/31/94/395723194.db2.gz IJNKAUBCJRJPMD-XPTSAGLGSA-N 0 0 324.358 0.729 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2ccco2)C[C@@H](C)O1 ZINC000029188893 395697292 /nfs/dbraw/zinc/69/72/92/395697292.db2.gz AJYLMTQRJPDGDM-GHMZBOCLSA-N 0 0 316.379 0.448 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)NCc2ccco2)CC1 ZINC000029318593 395697745 /nfs/dbraw/zinc/69/77/45/395697745.db2.gz QEXSTGPAODPPBV-UHFFFAOYSA-N 0 0 301.368 0.503 50 0 DCAARN CCCN(CCC)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000029518283 395698642 /nfs/dbraw/zinc/69/86/42/395698642.db2.gz YSNWPAAFMCQKJO-UHFFFAOYSA-N 0 0 318.377 0.894 50 0 DCAARN O=C(CCc1ccco1)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 ZINC000091655869 395726919 /nfs/dbraw/zinc/72/69/19/395726919.db2.gz GERKDTCHXIJAHU-HUUCEWRRSA-N 0 0 322.405 0.611 50 0 DCAARN Cc1ncc(S(C)(=O)=O)c(N2CC[C@@H]3CC[C@H](C2)N3C)n1 ZINC000095383801 395740325 /nfs/dbraw/zinc/74/03/25/395740325.db2.gz CYTURCXKBKEQSK-NWDGAFQWSA-N 0 0 310.423 0.861 50 0 DCAARN COCc1nc(CNC(=O)Nc2c(C)n(C)nc2OC)no1 ZINC000096164330 395746677 /nfs/dbraw/zinc/74/66/77/395746677.db2.gz OCTHGJGSQQYBID-UHFFFAOYSA-N 0 0 310.314 0.588 50 0 DCAARN C[C@]1(O)CCN(C(=O)c2cccc(-n3cnnc3)c2)C[C@@H]1O ZINC000096153195 395746765 /nfs/dbraw/zinc/74/67/65/395746765.db2.gz FJLQBMRVGMJONN-ZFWWWQNUSA-N 0 0 302.334 0.225 50 0 DCAARN CC1(C)OC(=O)C[C@H]1C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000096117996 395745536 /nfs/dbraw/zinc/74/55/36/395745536.db2.gz GLQMEKJTGFGIFG-NSHDSACASA-N 0 0 301.306 0.943 50 0 DCAARN c1cnc(N2CCN(Cc3nc([C@@H]4CCOC4)no3)CC2)nc1 ZINC000096132407 395745819 /nfs/dbraw/zinc/74/58/19/395745819.db2.gz BHZJUECECMNACV-GFCCVEGCSA-N 0 0 316.365 0.686 50 0 DCAARN O=C(NCCS(=O)(=O)N1CCCC1)Nc1cnns1 ZINC000096138729 395746252 /nfs/dbraw/zinc/74/62/52/395746252.db2.gz IIERQNNQXMJUEJ-UHFFFAOYSA-N 0 0 305.385 0.085 50 0 DCAARN O=C(c1cnc(N2CCOCC2)nc1)N1CCc2[nH]cnc2C1 ZINC000096138844 395746275 /nfs/dbraw/zinc/74/62/75/395746275.db2.gz VGYXBNNCTRLBPH-UHFFFAOYSA-N 0 0 314.349 0.235 50 0 DCAARN CN(C(N)=O)c1ccc(OCc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000096403847 395752787 /nfs/dbraw/zinc/75/27/87/395752787.db2.gz LOMJSGYPJOYSJR-UHFFFAOYSA-N 0 0 318.333 0.178 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N1CC[S@](=O)C(C)(C)C1 ZINC000096475492 395753837 /nfs/dbraw/zinc/75/38/37/395753837.db2.gz QYFYLNBCSUMRON-GOSISDBHSA-N 0 0 306.409 0.823 50 0 DCAARN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)Cn1cnnn1)C2 ZINC000097199193 395755564 /nfs/dbraw/zinc/75/55/64/395755564.db2.gz GQMFTINYNKRFTJ-JTQLQIEISA-N 0 0 303.370 0.298 50 0 DCAARN CCCn1nc(C(=O)N[C@@H]2CCc3nc(C)cn3C2)ccc1=O ZINC000097198031 395755574 /nfs/dbraw/zinc/75/55/74/395755574.db2.gz IPQWOHFXBCLYAN-GFCCVEGCSA-N 0 0 315.377 0.903 50 0 DCAARN CS(=O)(=O)NCCCN1CCO[C@H](c2nccs2)C1 ZINC000097200024 395755632 /nfs/dbraw/zinc/75/56/32/395755632.db2.gz XVGZQTBMQJXMBP-JTQLQIEISA-N 0 0 305.425 0.456 50 0 DCAARN CCCn1nc(C(=O)N[C@H]2CCc3nnc(C)n3C2)ccc1=O ZINC000097198850 395755666 /nfs/dbraw/zinc/75/56/66/395755666.db2.gz ITAGNLYKUZMAKS-NSHDSACASA-N 0 0 316.365 0.298 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(CN2CCn3ccnc3C2)o1 ZINC000097201587 395756040 /nfs/dbraw/zinc/75/60/40/395756040.db2.gz QJOCPSFOKQXHEH-UHFFFAOYSA-N 0 0 310.379 0.742 50 0 DCAARN O=C(CN1CCC(c2cn[nH]c2)CC1)N[C@H]1CCCCNC1=O ZINC000097203529 395756069 /nfs/dbraw/zinc/75/60/69/395756069.db2.gz QAFFWZQGASMYRU-AWEZNQCLSA-N 0 0 319.409 0.374 50 0 DCAARN O=C(NC[C@H](CO)Cc1ccco1)c1cn2cccnc2n1 ZINC000097243920 395756353 /nfs/dbraw/zinc/75/63/53/395756353.db2.gz DFIMUVVCERLGKY-LLVKDONJSA-N 0 0 300.318 0.903 50 0 DCAARN O=C(NCCOCc1ccccc1)[C@@H]1CCC(=O)NC(=O)N1 ZINC000097334250 395757172 /nfs/dbraw/zinc/75/71/72/395757172.db2.gz JGTJFLGQVPQZSR-LBPRGKRZSA-N 0 0 305.334 0.308 50 0 DCAARN O=C([O-])c1cccc(CN2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)n1 ZINC000097402332 395757351 /nfs/dbraw/zinc/75/73/51/395757351.db2.gz TXJLJXDFQKKTIV-GJZGRUSLSA-N 0 0 321.377 0.047 50 0 DCAARN COCCN(Cc1cnn(C)c1)C(=O)[C@H](C)N1CCCC1=O ZINC000097436789 395757709 /nfs/dbraw/zinc/75/77/09/395757709.db2.gz KZGXPACYKKCAQB-LBPRGKRZSA-N 0 0 308.382 0.406 50 0 DCAARN Cc1nc(SCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)oc1C ZINC000097371771 395757720 /nfs/dbraw/zinc/75/77/20/395757720.db2.gz HIRMBSNRXOVTIL-UHFFFAOYSA-N 0 0 321.362 0.857 50 0 DCAARN CC(C)c1nc2c(n1C)CCN([C@H]1CS(=O)(=O)C[C@H]1O)C2 ZINC000106869495 395784785 /nfs/dbraw/zinc/78/47/85/395784785.db2.gz YQCBHCDFIQSWJP-QWHCGFSZSA-N 0 0 313.423 0.060 50 0 DCAARN O=C(NCCCn1nc2n(c1=O)CCCC2)Nc1ccccn1 ZINC000047160638 395788459 /nfs/dbraw/zinc/78/84/59/395788459.db2.gz SZRCGHYOMUZSHU-UHFFFAOYSA-N 0 0 316.365 0.988 50 0 DCAARN CCN(CCN1CCOCC1)C(=O)c1cnc(C2CC2)[nH]c1=O ZINC000097619350 395759340 /nfs/dbraw/zinc/75/93/40/395759340.db2.gz CSYNAFSOAMEHIP-UHFFFAOYSA-N 0 0 320.393 0.442 50 0 DCAARN O=C([O-])[C@H]1CN(C(=O)c2ccco2)CC[N@@H+](C2CCOCC2)C1 ZINC000097742726 395760477 /nfs/dbraw/zinc/76/04/77/395760477.db2.gz VNHVKRCGSDHDLK-GFCCVEGCSA-N 0 0 322.361 0.917 50 0 DCAARN O=C([O-])[C@H]1C[NH2+]CCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000097773089 395760740 /nfs/dbraw/zinc/76/07/40/395760740.db2.gz HCJWNFNCTGCZAE-AWEZNQCLSA-N 0 0 300.362 0.978 50 0 DCAARN O=C(/C=C\c1ccc2c(c1)OCO2)N[C@@H]1CCS(=O)(=O)C1 ZINC000097999066 395761360 /nfs/dbraw/zinc/76/13/60/395761360.db2.gz JAIJHJYOIISBJG-CJHWANRJSA-N 0 0 309.343 0.732 50 0 DCAARN Cn1c2cncnc2n([C@H]2CCN(C(=O)c3ccoc3)C2)c1=O ZINC000097940692 395761465 /nfs/dbraw/zinc/76/14/65/395761465.db2.gz FQWPERVOXULESM-NSHDSACASA-N 0 0 313.317 0.810 50 0 DCAARN CCOC(=O)c1nnn(C[C@H](O)c2ccc(OC)cc2)c1CO ZINC000098211141 395762404 /nfs/dbraw/zinc/76/24/04/395762404.db2.gz UDIKNJLRDDXUDW-ZDUSSCGKSA-N 0 0 321.333 0.689 50 0 DCAARN O=C(NCCCNc1ccccn1)N[C@@H]1CCCCNC1=O ZINC000045666985 395764782 /nfs/dbraw/zinc/76/47/82/395764782.db2.gz RUQHWWZKSSJIOR-GFCCVEGCSA-N 0 0 305.382 0.852 50 0 DCAARN COCCNc1c(=O)c(=O)c1N1CCN(c2ccccc2)CC1 ZINC000101699954 395767042 /nfs/dbraw/zinc/76/70/42/395767042.db2.gz HIOMZGYYDUEFSR-UHFFFAOYSA-N 0 0 315.373 0.668 50 0 DCAARN O=C(NCCN1CCOCC1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000045973394 395768945 /nfs/dbraw/zinc/76/89/45/395768945.db2.gz PICZDHRJKKQGNL-ZDUSSCGKSA-N 0 0 321.377 0.077 50 0 DCAARN COCCn1cc(NC(=O)NC[C@H](C)N2CCOCC2)cn1 ZINC000046261640 395774256 /nfs/dbraw/zinc/77/42/56/395774256.db2.gz AFSPMEYCKLZXMB-LBPRGKRZSA-N 0 0 311.386 0.372 50 0 DCAARN COC(=O)[C@H](C)NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000104101746 395777788 /nfs/dbraw/zinc/77/77/88/395777788.db2.gz VVNDQGONTQEOPX-NSHDSACASA-N 0 0 323.374 0.771 50 0 DCAARN O=C(CCc1nc(-c2ccccn2)no1)N1CCNC(=O)C1 ZINC000048112207 395808705 /nfs/dbraw/zinc/80/87/05/395808705.db2.gz DQYYMNXIOWAYQR-UHFFFAOYSA-N 0 0 301.306 0.023 50 0 DCAARN O=C(NCCOc1ccc2c(c1)OCO2)[C@H]1CCC(=O)NC1 ZINC000048301196 395813330 /nfs/dbraw/zinc/81/33/30/395813330.db2.gz MNKMJKKLBXQCCG-JTQLQIEISA-N 0 0 306.318 0.437 50 0 DCAARN Cc1nc2ccc(NCC(=O)N3CCNC(=O)C3)cc2s1 ZINC000048340930 395814334 /nfs/dbraw/zinc/81/43/34/395814334.db2.gz GPHOPPVFAVLHRY-UHFFFAOYSA-N 0 0 304.375 0.975 50 0 DCAARN CS(=O)(=O)CCSc1nnnn1Cc1cccs1 ZINC000048598239 395818565 /nfs/dbraw/zinc/81/85/65/395818565.db2.gz ABQXVAOBYOEOGE-UHFFFAOYSA-N 0 0 304.422 0.920 50 0 DCAARN CC(C)(C)n1ncc2c1ncnc2N1CC[C@@H](CO)[C@@H](O)C1 ZINC000225405535 395859207 /nfs/dbraw/zinc/85/92/07/395859207.db2.gz SIKPKTUDNCQPTQ-JQWIXIFHSA-N 0 0 305.382 0.761 50 0 DCAARN CCS(=O)(=O)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000049239069 395829536 /nfs/dbraw/zinc/82/95/36/395829536.db2.gz KJFYIZTXHJALET-UHFFFAOYSA-N 0 0 303.428 0.996 50 0 DCAARN Cc1nc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)cn1C ZINC000195527507 395831461 /nfs/dbraw/zinc/83/14/61/395831461.db2.gz ZIZMDRJHFGGURT-UHFFFAOYSA-N 0 0 324.406 0.828 50 0 DCAARN CN(C)c1ccc(O[C@@H]2CCN(C(=O)[C@H]3CCOC3)C2)nn1 ZINC000225448237 395859748 /nfs/dbraw/zinc/85/97/48/395859748.db2.gz DRGYBOFASSFDJT-NWDGAFQWSA-N 0 0 306.366 0.559 50 0 DCAARN C[C@H]1CCc2[nH]c(=O)c(C(=O)NCCN3CCOCC3)cc2C1 ZINC000049551299 395832680 /nfs/dbraw/zinc/83/26/80/395832680.db2.gz GQNHSSMLHKJAGQ-LBPRGKRZSA-N 0 0 319.405 0.562 50 0 DCAARN COCCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2ccco2)C1 ZINC000219336318 395845450 /nfs/dbraw/zinc/84/54/50/395845450.db2.gz JQCXJMKKQSVCNB-PHIMTYICSA-N 0 0 320.349 0.686 50 0 DCAARN COCc1nc([C@H]2C[C@H](NC(=O)c3nccn3C)C2)cc(=O)[nH]1 ZINC000219367251 395845541 /nfs/dbraw/zinc/84/55/41/395845541.db2.gz UPBOCUBHARVJAS-AOOOYVTPSA-N 0 0 317.349 0.326 50 0 DCAARN O=C(COc1cccc(-n2cnnn2)c1)N[C@H]1C[C@@H]2OCC[C@H]12 ZINC000222404842 395852821 /nfs/dbraw/zinc/85/28/21/395852821.db2.gz QENJBZPKOURACE-RDBSUJKOSA-N 0 0 315.333 0.335 50 0 DCAARN Nc1nc2n[nH]cc2c(N[C@@H]2COCC[C@@H]2OCC2CC2)n1 ZINC000223063724 395853716 /nfs/dbraw/zinc/85/37/16/395853716.db2.gz PPVYFCDYYZTZFU-MNOVXSKESA-N 0 0 304.354 0.931 50 0 DCAARN CCO[C@H]1CN(C(=O)c2ccc3c(c2)ncn3CCO)C[C@@H]1O ZINC000223443651 395855166 /nfs/dbraw/zinc/85/51/66/395855166.db2.gz RQYOBOIJFZFBNE-GJZGRUSLSA-N 0 0 319.361 0.250 50 0 DCAARN CC(C)Cc1cc(C(=O)NCCc2nccn2C)[nH]c(=O)n1 ZINC000223888878 395857373 /nfs/dbraw/zinc/85/73/73/395857373.db2.gz NELXSMIRLQTNLA-UHFFFAOYSA-N 0 0 303.366 0.674 50 0 DCAARN O=C(NC[C@@H]1Cc2ccccc2O1)N[C@H]1CCS(=O)(=O)C1 ZINC000047594980 395795770 /nfs/dbraw/zinc/79/57/70/395795770.db2.gz OPGXQRKGEGHZBQ-RYUDHWBXSA-N 0 0 310.375 0.476 50 0 DCAARN CCN(C(=O)CS(=O)(=O)c1nncn1C)C1CCCCC1 ZINC000047622477 395797496 /nfs/dbraw/zinc/79/74/96/395797496.db2.gz QQEKOVDQSHUSDV-UHFFFAOYSA-N 0 0 314.411 0.770 50 0 DCAARN CC(=O)N1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000054152512 395894571 /nfs/dbraw/zinc/89/45/71/395894571.db2.gz GPESJQBCRSUDDR-UHFFFAOYSA-N 0 0 300.362 0.630 50 0 DCAARN O=C(CCCn1cncn1)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000054548092 395902559 /nfs/dbraw/zinc/90/25/59/395902559.db2.gz IBZQEMCBWOVQLY-LBPRGKRZSA-N 0 0 301.350 0.940 50 0 DCAARN O=C(NCCc1nnc2n1CCC2)c1ccc2c(c1)OCO2 ZINC000054562516 395902598 /nfs/dbraw/zinc/90/25/98/395902598.db2.gz RWVXBINLLCKXLH-UHFFFAOYSA-N 0 0 300.318 0.926 50 0 DCAARN O=C(CNC(=O)c1ccsc1)NCCN1CCCCCC1=O ZINC000055251757 395914667 /nfs/dbraw/zinc/91/46/67/395914667.db2.gz XSRUPLOAHIPKEH-UHFFFAOYSA-N 0 0 323.418 0.997 50 0 DCAARN CCN(Cc1nc(COC)no1)C(=O)[C@H](NC(C)=O)C(C)C ZINC000055242684 395914904 /nfs/dbraw/zinc/91/49/04/395914904.db2.gz AVRANTMUVLQOBM-CYBMUJFWSA-N 0 0 312.370 0.725 50 0 DCAARN CCc1nc(CC(=O)NCC2(C(N)=O)CCOCC2)cs1 ZINC000055247418 395914917 /nfs/dbraw/zinc/91/49/17/395914917.db2.gz IMDKCYCFHKGJNH-UHFFFAOYSA-N 0 0 311.407 0.646 50 0 DCAARN CCn1ccnc1CN1CCN([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC000241465969 395923788 /nfs/dbraw/zinc/92/37/88/395923788.db2.gz NTOAFTNPEHEJRW-ZIAGYGMSSA-N 0 0 305.426 0.640 50 0 DCAARN CCO[C@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H](O)CN2C(C)=O)C12CCC2 ZINC000242178804 395924041 /nfs/dbraw/zinc/92/40/41/395924041.db2.gz XAZJDDREWRZWOO-XGUBFFRZSA-N 0 0 324.421 0.774 50 0 DCAARN CCn1c(CCNC(=O)C2=NNC(=O)CC2)nc2ccccc21 ZINC000244811754 395925254 /nfs/dbraw/zinc/92/52/54/395925254.db2.gz SKOBSEDXIKJQAW-UHFFFAOYSA-N 0 0 313.361 0.981 50 0 DCAARN Cc1cn(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)nn1 ZINC000244840359 395925416 /nfs/dbraw/zinc/92/54/16/395925416.db2.gz ULOVCBOHZLQATR-UHFFFAOYSA-N 0 0 308.386 0.096 50 0 DCAARN Cn1cc([C@H](NC(=O)CCc2cnccn2)[C@H]2C[C@H](O)C2)cn1 ZINC000244873316 395925695 /nfs/dbraw/zinc/92/56/95/395925695.db2.gz WOANCVAFQHRILX-DJSGYFEHSA-N 0 0 315.377 0.771 50 0 DCAARN CN1CCN(NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)CC1 ZINC000245174545 395926953 /nfs/dbraw/zinc/92/69/53/395926953.db2.gz YRNMXCKFSBSQAD-CYBMUJFWSA-N 0 0 306.366 0.142 50 0 DCAARN CCC[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000119261470 395869273 /nfs/dbraw/zinc/86/92/73/395869273.db2.gz PEQBLSMRTRXSLL-LLVKDONJSA-N 0 0 300.380 0.486 50 0 DCAARN COc1ccc([C@H]2CCCN2C(=O)CN(C)CC(N)=O)cc1 ZINC000052831690 395870962 /nfs/dbraw/zinc/87/09/62/395870962.db2.gz UFGPEDIUJHCHNI-CQSZACIVSA-N 0 0 305.378 0.776 50 0 DCAARN NC(=O)[C@@H]1CCCN(c2cc(N3CCC[C@@H]3CO)ncn2)C1 ZINC000229331334 395874300 /nfs/dbraw/zinc/87/43/00/395874300.db2.gz OEJNSUZEJFEMML-VXGBXAGGSA-N 0 0 305.382 0.139 50 0 DCAARN O[C@@H](COc1ccccc1)CN1CCO[C@@H](Cn2cncn2)C1 ZINC000229552595 395875963 /nfs/dbraw/zinc/87/59/63/395875963.db2.gz FFPHVRICEYFSCC-GDBMZVCRSA-N 0 0 318.377 0.419 50 0 DCAARN CC[C@H](C)[C@@H](CO)NC(=O)CCc1c(C)nc2[nH]cnn2c1=O ZINC000230275121 395879924 /nfs/dbraw/zinc/87/99/24/395879924.db2.gz JWTSTCHMGGLVRT-JOYOIKCWSA-N 0 0 321.381 0.182 50 0 DCAARN CS(=O)(=O)N[C@H]1CCN([C@H]2CCc3ccccc3NC2=O)C1 ZINC000248905798 396000400 /nfs/dbraw/zinc/00/04/00/396000400.db2.gz WNACEIQICXNXKR-JSGCOSHPSA-N 0 0 323.418 0.563 50 0 DCAARN O=C(Cn1nc(N2CCOCC2)ccc1=O)NC1CCCC1 ZINC000061720027 395970257 /nfs/dbraw/zinc/97/02/57/395970257.db2.gz ZXYOFPZPYMHDDG-UHFFFAOYSA-N 0 0 306.366 0.139 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000247526477 395976083 /nfs/dbraw/zinc/97/60/83/395976083.db2.gz NHIXIGQGVHYONP-OLZOCXBDSA-N 0 0 324.402 0.530 50 0 DCAARN CN1CCN(C(=O)C[C@H]2Sc3ncccc3N(C)C2=O)CC1 ZINC000065171799 395990717 /nfs/dbraw/zinc/99/07/17/395990717.db2.gz SOXKWNOQKNNUDM-GFCCVEGCSA-N 0 0 320.418 0.683 50 0 DCAARN COCCN1C(=O)Cc2ccccc2[C@H]1C(=O)N1CCOCC1 ZINC000065170394 395990800 /nfs/dbraw/zinc/99/08/00/395990800.db2.gz LIPZOCFKOMQWOH-INIZCTEOSA-N 0 0 318.373 0.618 50 0 DCAARN COCCn1ccc2ccn(CC(=O)N3CCOCC3)c(=O)c21 ZINC000065224804 395991374 /nfs/dbraw/zinc/99/13/74/395991374.db2.gz PQGWLBBRAHNNLU-UHFFFAOYSA-N 0 0 319.361 0.308 50 0 DCAARN Nc1nccnc1C(=O)NCc1ccccc1N1CCOCC1 ZINC000065490821 395993857 /nfs/dbraw/zinc/99/38/57/395993857.db2.gz SRJWYOMVPUZHNJ-UHFFFAOYSA-N 0 0 313.361 0.825 50 0 DCAARN CCn1ncnc1CN1CCN(c2cc(OC)ncn2)CC1 ZINC000065458608 395994139 /nfs/dbraw/zinc/99/41/39/395994139.db2.gz KZILABFIVISDCL-UHFFFAOYSA-N 0 0 303.370 0.419 50 0 DCAARN CN1CCN2CCN(c3ncc(F)c(N4CCCC4)n3)C[C@@H]2C1 ZINC000065493858 395994470 /nfs/dbraw/zinc/99/44/70/395994470.db2.gz DPBPRFRSGNUYLT-ZDUSSCGKSA-N 0 0 320.416 0.652 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)c2cccc3c2OCCO3)cn1 ZINC000067206905 396022489 /nfs/dbraw/zinc/02/24/89/396022489.db2.gz VTKQTVMHBZOXAN-UHFFFAOYSA-N 0 0 316.317 0.653 50 0 DCAARN CC(C)S(=O)(=O)N1CC[C@H](N[C@H]2C[C@@H](C)OC2=O)[C@@H](C)C1 ZINC000252667896 396024224 /nfs/dbraw/zinc/02/42/24/396024224.db2.gz DNRFLUSWJPMOCL-RNJOBUHISA-N 0 0 318.439 0.729 50 0 DCAARN C[C@H](NC(=O)c1cc(CN2CCOCC2)on1)c1ccncn1 ZINC000067446799 396026480 /nfs/dbraw/zinc/02/64/80/396026480.db2.gz LPSGCLUBNUVLKH-NSHDSACASA-N 0 0 317.349 0.788 50 0 DCAARN CCn1cc(CN2CC[C@@H]3CN(S(C)(=O)=O)[C@@H]3C2)c(C)n1 ZINC000253407770 396026960 /nfs/dbraw/zinc/02/69/60/396026960.db2.gz KDYXJEMGMQXKTG-TZMCWYRMSA-N 0 0 312.439 0.677 50 0 DCAARN COC[C@@H]1CN(C(=O)CCc2ccccc2OC)C[C@H]1C(N)=O ZINC000253412863 396027875 /nfs/dbraw/zinc/02/78/75/396027875.db2.gz SHOLQWYNKGCOLT-UONOGXRCSA-N 0 0 320.389 0.834 50 0 DCAARN O=C(CCN1CCCCO1)N[C@H]1C[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000253535334 396029284 /nfs/dbraw/zinc/02/92/84/396029284.db2.gz LNSQYTGJFXQYTN-TXEJJXNPSA-N 0 0 306.366 0.962 50 0 DCAARN Cn1cc(S(=O)(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)cn1 ZINC000253473680 396029561 /nfs/dbraw/zinc/02/95/61/396029561.db2.gz XCGZEZBVUKOUKH-ADEWGFFLSA-N 0 0 301.368 0.035 50 0 DCAARN CC(C)[C@@H](NC(=O)CCn1ccc(=O)[nH]c1=O)c1nccn1C ZINC000253536549 396030541 /nfs/dbraw/zinc/03/05/41/396030541.db2.gz HYQSKDPYHFPHKO-CYBMUJFWSA-N 0 0 319.365 0.586 50 0 DCAARN Cc1cc2c(cc1C(=O)N1CCC(O)(CO)CC1)OCCO2 ZINC000067726913 396031913 /nfs/dbraw/zinc/03/19/13/396031913.db2.gz IHUWMRNMFAOWMD-UHFFFAOYSA-N 0 0 307.346 0.726 50 0 DCAARN CC(C)N1CCNC(=O)[C@@H]1CC(=O)Nc1cnc2n1CCCC2 ZINC000067771222 396033284 /nfs/dbraw/zinc/03/32/84/396033284.db2.gz IBXROHTZWKAFCD-LBPRGKRZSA-N 0 0 319.409 0.757 50 0 DCAARN Cn1nc(N2CC[C@@H](NC(=O)Cc3cccs3)C2)ccc1=O ZINC000257184516 396034326 /nfs/dbraw/zinc/03/43/26/396034326.db2.gz IOZROZHMEILBJJ-LLVKDONJSA-N 0 0 318.402 0.779 50 0 DCAARN Cc1occc1C(=O)N[C@@H]1CN(c2ccncn2)C[C@H]1CO ZINC000257184147 396034337 /nfs/dbraw/zinc/03/43/37/396034337.db2.gz IFYPLCDBUFWKMC-WCQYABFASA-N 0 0 302.334 0.605 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@H]1COC ZINC000257181652 396034396 /nfs/dbraw/zinc/03/43/96/396034396.db2.gz FUDBACHIXZRJEE-NWDGAFQWSA-N 0 0 308.382 0.118 50 0 DCAARN O=C(CCn1ccc(=O)[nH]c1=O)Nc1cnc2n1CCCC2 ZINC000067805002 396034402 /nfs/dbraw/zinc/03/44/02/396034402.db2.gz WSZOBJQRZLECQV-UHFFFAOYSA-N 0 0 303.322 0.098 50 0 DCAARN CC(=O)N[C@@H]1CN(C(=O)Cc2ccccc2Cl)C[C@H]1CO ZINC000257193870 396035865 /nfs/dbraw/zinc/03/58/65/396035865.db2.gz SBPXVQFTXNBTQV-GXTWGEPZSA-N 0 0 310.781 0.838 50 0 DCAARN Cc1cc(C(=O)N[C@@H]2CN(c3ccncn3)C[C@H]2CO)c(C)o1 ZINC000257195764 396036204 /nfs/dbraw/zinc/03/62/04/396036204.db2.gz WVWKKMOCTMKFNV-GXTWGEPZSA-N 0 0 316.361 0.914 50 0 DCAARN CC(=O)N1CCO[C@H](CNC(=O)CCc2ccccc2O)C1 ZINC000067869168 396037157 /nfs/dbraw/zinc/03/71/57/396037157.db2.gz FZZCEFJVQWLMHL-CQSZACIVSA-N 0 0 306.362 0.688 50 0 DCAARN CCCO[C@@H]1CCCN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)C1 ZINC000067908228 396038605 /nfs/dbraw/zinc/03/86/05/396038605.db2.gz OAAGGBKUFRNYKX-GFCCVEGCSA-N 0 0 309.366 0.263 50 0 DCAARN COCCNS(=O)(=O)c1sc2c(c1C(=O)[O-])CC[NH2+]C2 ZINC000067935065 396039913 /nfs/dbraw/zinc/03/99/13/396039913.db2.gz ZBWKGJKMPALBPO-UHFFFAOYSA-N 0 0 320.392 0.017 50 0 DCAARN O=C(CN1CSCC1=O)NC[C@@]1(O)CCCc2ccccc21 ZINC000066931552 396017813 /nfs/dbraw/zinc/01/78/13/396017813.db2.gz AZGJEGWBXPGSIH-INIZCTEOSA-N 0 0 320.414 0.860 50 0 DCAARN CCOc1cccc2c1OC[C@H](C(=O)N[C@H](CO)COC)C2 ZINC000252479893 396019963 /nfs/dbraw/zinc/01/99/63/396019963.db2.gz BOUWTBNEEOJZBO-CHWSQXEVSA-N 0 0 309.362 0.760 50 0 DCAARN CCN(C(=O)CN(C)Cc1ccccc1F)[C@H]1COC[C@@H]1O ZINC000252490665 396020586 /nfs/dbraw/zinc/02/05/86/396020586.db2.gz KYTUEFXPPPRYKX-GJZGRUSLSA-N 0 0 310.369 0.866 50 0 DCAARN O=C(CCN1CCN(c2nc[nH]n2)CC1)Nc1cccnc1 ZINC000252491582 396020956 /nfs/dbraw/zinc/02/09/56/396020956.db2.gz LOBKXLIKLJVBEE-UHFFFAOYSA-N 0 0 301.354 0.351 50 0 DCAARN NS(=O)(=O)C[C@@H]1CCCN(C(=O)CCCn2cccc2)C1 ZINC000252494730 396021186 /nfs/dbraw/zinc/02/11/86/396021186.db2.gz OCWZJFPAMGTJPI-CYBMUJFWSA-N 0 0 313.423 0.795 50 0 DCAARN CCn1ccc(CN2CCC(c3nnc(CO)n3C)CC2)n1 ZINC000252490769 396021192 /nfs/dbraw/zinc/02/11/92/396021192.db2.gz LAOIQFRRXBCIKC-UHFFFAOYSA-N 0 0 304.398 0.903 50 0 DCAARN CCn1ccc(CN2CCN(c3ccnc4nncn43)CC2)n1 ZINC000252502668 396021588 /nfs/dbraw/zinc/02/15/88/396021588.db2.gz USUQGGOBQANZCF-UHFFFAOYSA-N 0 0 312.381 0.663 50 0 DCAARN CCCN1C(=O)N[C@H](CC(=O)N(C)Cc2nc(C)c[nH]2)C1=O ZINC000252502780 396021789 /nfs/dbraw/zinc/02/17/89/396021789.db2.gz USYOZJLVSFAIJF-SNVBAGLBSA-N 0 0 307.354 0.397 50 0 DCAARN Cc1nnc(NC(=O)CN2CCCC[C@@H]2Cn2cncn2)s1 ZINC000069659279 396085877 /nfs/dbraw/zinc/08/58/77/396085877.db2.gz DOZLUHMVACNZDI-LLVKDONJSA-N 0 0 321.410 0.931 50 0 DCAARN Cc1nnc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)n1C ZINC000069739546 396088780 /nfs/dbraw/zinc/08/87/80/396088780.db2.gz CTPNPSGLUXJPHX-MRXNPFEDSA-N 0 0 315.421 0.975 50 0 DCAARN O=C(CN1CCN(CCO)CC1)N[C@@H]1CCOc2ccccc21 ZINC000069772019 396089655 /nfs/dbraw/zinc/08/96/55/396089655.db2.gz GTXZGTDEYQRSKE-OAHLLOKOSA-N 0 0 319.405 0.236 50 0 DCAARN COCCOC1CCN(S(=O)(=O)c2cn(C)cn2)CC1 ZINC000169768370 396091170 /nfs/dbraw/zinc/09/11/70/396091170.db2.gz KRTVZQBAURQCDS-UHFFFAOYSA-N 0 0 303.384 0.236 50 0 DCAARN CCn1nccc1C(=O)NC[C@H]1Cn2cccc2C(=O)N1C ZINC000169781098 396091686 /nfs/dbraw/zinc/09/16/86/396091686.db2.gz FJGZZQQGLQWQPS-NSHDSACASA-N 0 0 301.350 0.589 50 0 DCAARN COCCN1CCN(CC(=O)N(C)c2nccs2)C[C@@H]1C ZINC000069840597 396091748 /nfs/dbraw/zinc/09/17/48/396091748.db2.gz UOLAHZPCMMHWEV-LBPRGKRZSA-N 0 0 312.439 0.758 50 0 DCAARN CN(Cc1ccncc1F)[C@@H]1CCc2nn(C)c(=O)n2CC1 ZINC000169783370 396091844 /nfs/dbraw/zinc/09/18/44/396091844.db2.gz IGVVKBGLOKDIEI-GFCCVEGCSA-N 0 0 305.357 0.953 50 0 DCAARN O=C(CN1C(=O)NC2(CCOCC2)C1=O)Nc1ccccc1F ZINC000169779657 396091927 /nfs/dbraw/zinc/09/19/27/396091927.db2.gz UPIJHKCWBCIMES-UHFFFAOYSA-N 0 0 321.308 0.865 50 0 DCAARN CN1CCC[C@H]1c1nc(C2CN(C(=O)c3cnccn3)C2)no1 ZINC000169786785 396092748 /nfs/dbraw/zinc/09/27/48/396092748.db2.gz DQJSHFJRIZZOFP-LBPRGKRZSA-N 0 0 314.349 0.866 50 0 DCAARN COCCNC(=O)CN1CCN(c2nc(C)cs2)[C@@H](C)C1 ZINC000069873548 396092866 /nfs/dbraw/zinc/09/28/66/396092866.db2.gz ZCWDGQDOHGMVLK-LBPRGKRZSA-N 0 0 312.439 0.725 50 0 DCAARN CC(C)NC(=O)NC(=O)[C@H](C)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000170599815 396095449 /nfs/dbraw/zinc/09/54/49/396095449.db2.gz FWVLEPXUGZGQRQ-JQWIXIFHSA-N 0 0 311.382 0.289 50 0 DCAARN COCc1cccc(CNC(=O)Cn2nccc2C(N)=O)c1 ZINC000170619676 396096388 /nfs/dbraw/zinc/09/63/88/396096388.db2.gz HSKBAVVNIOFVCE-UHFFFAOYSA-N 0 0 302.334 0.445 50 0 DCAARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCCc1nc(N)no1 ZINC000170651672 396096946 /nfs/dbraw/zinc/09/69/46/396096946.db2.gz JPDVGYVIAPKTJT-UFBFGSQYSA-N 0 0 304.306 0.539 50 0 DCAARN O=C(NCCc1ccncc1)C1CN(S(=O)(=O)C2CC2)C1 ZINC000070839165 396105392 /nfs/dbraw/zinc/10/53/92/396105392.db2.gz MJPAXAZBIUBXOS-UHFFFAOYSA-N 0 0 309.391 0.164 50 0 DCAARN c1cnc(-c2nn3c(CN4CCOCC4)nnc3s2)cn1 ZINC000071260515 396110810 /nfs/dbraw/zinc/11/08/10/396110810.db2.gz QKQGSTOHOPIZLY-UHFFFAOYSA-N 0 0 303.351 0.475 50 0 DCAARN O=C(c1cnnn1-c1ccccc1)N1CCC(O)(CO)CC1 ZINC000071314978 396112707 /nfs/dbraw/zinc/11/27/07/396112707.db2.gz IFAXADIJRNXKNO-UHFFFAOYSA-N 0 0 302.334 0.227 50 0 DCAARN C[C@H](NC(=O)Cc1c[nH]c(=O)n(C)c1=O)c1ccc(O)c(F)c1 ZINC000071479698 396114578 /nfs/dbraw/zinc/11/45/78/396114578.db2.gz IYSPBEORSMNXNF-QMMMGPOBSA-N 0 0 321.308 0.338 50 0 DCAARN NC(=O)c1ccc(=O)n(CC(=O)NCCCC2CCCCC2)n1 ZINC000071803676 396115117 /nfs/dbraw/zinc/11/51/17/396115117.db2.gz LUXRSVRPVKDEHF-UHFFFAOYSA-N 0 0 320.393 0.819 50 0 DCAARN CC(C)CCS(=O)(=O)CC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000071829545 396116748 /nfs/dbraw/zinc/11/67/48/396116748.db2.gz BFOGTBWNOFOMDL-RYUDHWBXSA-N 0 0 318.439 0.560 50 0 DCAARN C[C@@H]1CN(C[C@H](O)Cn2cnc3sccc3c2=O)C[C@H](C)O1 ZINC000071825077 396116911 /nfs/dbraw/zinc/11/69/11/396116911.db2.gz GSTXRNABKYSWEI-TUAOUCFPSA-N 0 0 323.418 0.928 50 0 DCAARN CNC(=O)c1ccc(=O)n(Cc2csc(N(C)C(C)=O)n2)c1 ZINC000071824617 396117027 /nfs/dbraw/zinc/11/70/27/396117027.db2.gz COWSJVXATLSEAA-UHFFFAOYSA-N 0 0 320.374 0.695 50 0 DCAARN O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(=O)[nH]c1 ZINC000071839231 396117852 /nfs/dbraw/zinc/11/78/52/396117852.db2.gz MFDFADFIFVOZHD-AWEZNQCLSA-N 0 0 311.341 0.906 50 0 DCAARN COc1ccc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)cn1 ZINC000071830366 396117878 /nfs/dbraw/zinc/11/78/78/396117878.db2.gz YTNYZJXCVZLBTH-GFCCVEGCSA-N 0 0 304.350 0.720 50 0 DCAARN Cc1ccc(OCC(=O)N2CCN([C@H](C)C(N)=O)CC2)cc1 ZINC000071850018 396118994 /nfs/dbraw/zinc/11/89/94/396118994.db2.gz OXRHPAGSAIMKBN-CYBMUJFWSA-N 0 0 305.378 0.392 50 0 DCAARN C[C@H](C(=O)N1CCCC[C@H]1Cn1cccn1)N1CCOCC1 ZINC000071865420 396119744 /nfs/dbraw/zinc/11/97/44/396119744.db2.gz YIWPISJRTFORBK-CABCVRRESA-N 0 0 306.410 0.985 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)c2ccc(CC)o2)CC1 ZINC000071881996 396122393 /nfs/dbraw/zinc/12/23/93/396122393.db2.gz CZRXJKCXIBHXNK-CYBMUJFWSA-N 0 0 310.394 0.997 50 0 DCAARN CCc1c(C(=O)OCCNS(C)(=O)=O)[nH]c(C)c1C(C)=O ZINC000071886044 396123470 /nfs/dbraw/zinc/12/34/70/396123470.db2.gz DLCMBRGHSDBLPF-UHFFFAOYSA-N 0 0 316.379 0.794 50 0 DCAARN COc1cccc(CC(=O)NC2CCN(CC(N)=O)CC2)c1 ZINC000071892806 396123515 /nfs/dbraw/zinc/12/35/15/396123515.db2.gz NYQBCMANLGKLKQ-UHFFFAOYSA-N 0 0 305.378 0.304 50 0 DCAARN CC/C=C(/C)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000071893418 396123881 /nfs/dbraw/zinc/12/38/81/396123881.db2.gz OHRGUEJYIHEMGF-NUKWSGDCSA-N 0 0 323.437 0.734 50 0 DCAARN Cc1occc1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000071927913 396125291 /nfs/dbraw/zinc/12/52/91/396125291.db2.gz NYNFTIJDFWIUGM-LBPRGKRZSA-N 0 0 312.391 0.533 50 0 DCAARN COc1cc(N)c(Cl)cc1C(=O)OCCCS(N)(=O)=O ZINC000071914279 396125548 /nfs/dbraw/zinc/12/55/48/396125548.db2.gz SPAXVPOVEQWEJL-UHFFFAOYSA-N 0 0 322.770 0.766 50 0 DCAARN Cc1cc(C)c(CNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c(=O)[nH]1 ZINC000072277098 396128773 /nfs/dbraw/zinc/12/87/73/396128773.db2.gz YQBOGHPPIXTBLP-ZDUSSCGKSA-N 0 0 317.389 0.866 50 0 DCAARN O=C(CCCn1cncn1)NCCCNC(=O)c1ccccc1 ZINC000069419202 396077903 /nfs/dbraw/zinc/07/79/03/396077903.db2.gz CEBOJYOFYYDMED-UHFFFAOYSA-N 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/nfs/dbraw/zinc/26/09/35/396260935.db2.gz XURSXGWDDFQHON-UHFFFAOYSA-N 0 0 303.292 0.840 50 0 DCAARN CNC(=O)[C@H]1CN(C(=O)c2cnc(-c3ccco3)s2)CCO1 ZINC000183977733 396279168 /nfs/dbraw/zinc/27/91/68/396279168.db2.gz FFGCMFSWUVDRKS-SNVBAGLBSA-N 0 0 321.358 0.990 50 0 DCAARN Cc1ccc2oc(=O)n(CC(=O)N3CCOC[C@H](O)C3)c2c1 ZINC000077375945 396220608 /nfs/dbraw/zinc/22/06/08/396220608.db2.gz MPRXRGBRWKHDER-LLVKDONJSA-N 0 0 306.318 0.123 50 0 DCAARN CCc1nc(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)no1 ZINC000083830441 396317473 /nfs/dbraw/zinc/31/74/73/396317473.db2.gz CBXIIQHDOHBFGE-AWEZNQCLSA-N 0 0 307.354 0.537 50 0 DCAARN CN1CCN(C(=O)CCn2cnc(C3CCC3)cc2=O)CC1 ZINC000283197589 396317634 /nfs/dbraw/zinc/31/76/34/396317634.db2.gz YDTWYPMXEBHRCL-UHFFFAOYSA-N 0 0 304.394 0.675 50 0 DCAARN Cc1nnc(CCCNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)[nH]1 ZINC000080979866 396290597 /nfs/dbraw/zinc/29/05/97/396290597.db2.gz QEVNDSIRPFQKDI-CYBMUJFWSA-N 0 0 319.409 0.811 50 0 DCAARN O=C(NCCCN1C(=O)CNC1=O)N1Cc2ccccc2CO1 ZINC000287630674 396412814 /nfs/dbraw/zinc/41/28/14/396412814.db2.gz IZTMEQHPNBUZBI-UHFFFAOYSA-N 0 0 318.333 0.585 50 0 DCAARN CCC1=NO[C@@H](CNC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000584894234 396634883 /nfs/dbraw/zinc/63/48/83/396634883.db2.gz DPBZBHVCULYURR-CYBMUJFWSA-N 0 0 318.381 0.863 50 0 DCAARN CC[C@H](NC(=O)CNS(C)(=O)=O)c1nc(C)c(C)s1 ZINC000584896437 396635306 /nfs/dbraw/zinc/63/53/06/396635306.db2.gz MNNQXBUUDBVKIY-VIFPVBQESA-N 0 0 305.425 0.876 50 0 DCAARN CN1C[C@H](CNC(=O)c2cc(C(F)(F)F)n[nH]2)OCC1=O ZINC000584899140 396636533 /nfs/dbraw/zinc/63/65/33/396636533.db2.gz MKHCYKALUIZQCI-LURJTMIESA-N 0 0 306.244 0.016 50 0 DCAARN Cc1cc(S(=O)(=O)NC2CC(CO)(CO)C2)ccc1F ZINC000585135041 396641345 /nfs/dbraw/zinc/64/13/45/396641345.db2.gz VAQHIYVVHPOOQE-UHFFFAOYSA-N 0 0 303.355 0.546 50 0 DCAARN O=C(Cc1ccc(O)cc1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000585136673 396641560 /nfs/dbraw/zinc/64/15/60/396641560.db2.gz PECRJFSIUOVDGV-AWEZNQCLSA-N 0 0 317.389 0.358 50 0 DCAARN COCC[N@@H+]1CCC[C@H](C(=O)NCc2ccc(C(=O)[O-])o2)C1 ZINC000299799563 396714303 /nfs/dbraw/zinc/71/43/03/396714303.db2.gz SKNWMXBVBOBKMN-NSHDSACASA-N 0 0 310.350 0.952 50 0 DCAARN O=C(NCc1ccc(-c2nn[nH]n2)cc1)c1cc2n(n1)CCO2 ZINC000377944936 397169165 /nfs/dbraw/zinc/16/91/65/397169165.db2.gz DGBHGAADGNSNPO-UHFFFAOYSA-N 0 0 311.305 0.386 50 0 DCAARN O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1cscn1 ZINC000390829301 397303044 /nfs/dbraw/zinc/30/30/44/397303044.db2.gz DJMRWDOHFKCQFR-SECBINFHSA-N 0 0 315.362 0.590 50 0 DCAARN Cn1cc(C(=O)Nc2ccc3c(c2)N(C)S(=O)(=O)N3C)nn1 ZINC000390829233 397303219 /nfs/dbraw/zinc/30/32/19/397303219.db2.gz XPYLRZSJDOKWDF-UHFFFAOYSA-N 0 0 322.350 0.198 50 0 DCAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000004761127 286462532 /nfs/dbraw/zinc/46/25/32/286462532.db2.gz GKIFPMFCJIHZNO-NSHDSACASA-N 0 0 315.329 0.567 50 0 DCAARN COCCCNC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O ZINC000002992178 292359172 /nfs/dbraw/zinc/35/91/72/292359172.db2.gz CUUCMYRZWMSVQX-GFCCVEGCSA-N 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NVFMIOUZJYAUCC-UHFFFAOYSA-N 0 0 311.407 0.864 50 0 DCAARN O=C(C1CC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000025382204 415161613 /nfs/dbraw/zinc/16/16/13/415161613.db2.gz VAVODQSOTSIPFR-OAHLLOKOSA-N 0 0 316.357 0.907 50 0 DCAARN CNC(=O)[C@H]1CCCCN1C(=O)c1csc(NC(C)=O)n1 ZINC000025301635 415162801 /nfs/dbraw/zinc/16/28/01/415162801.db2.gz NIDXQTLMWVDCGX-SNVBAGLBSA-N 0 0 310.379 0.842 50 0 DCAARN COc1cccc(/C=c2\sc3nc(=O)c(C)nn3c2=O)c1 ZINC000000199689 415124156 /nfs/dbraw/zinc/12/41/56/415124156.db2.gz YJJVBAWIPDBWQY-XFFZJAGNSA-N 0 0 301.327 0.376 50 0 DCAARN COC(=O)C(C(=O)OC)C(C(C)C)C(C(=O)OC)C(=O)OC ZINC000002835844 415124579 /nfs/dbraw/zinc/12/45/79/415124579.db2.gz BQIDIJLZIZKPJI-UHFFFAOYSA-N 0 0 318.322 0.183 50 0 DCAARN COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)NC(C)(C)C ZINC000004106671 415128214 /nfs/dbraw/zinc/12/82/14/415128214.db2.gz JDKJHAIDSWRPEG-HTQZYQBOSA-N 0 0 304.368 0.584 50 0 DCAARN CC1=C(C(N)=O)[C@H](c2ccccc2)N2NC(CCCO)=NC2=N1 ZINC000004177159 415130759 /nfs/dbraw/zinc/13/07/59/415130759.db2.gz LFXLZAQQWTZYFV-AWEZNQCLSA-N 0 0 313.361 0.848 50 0 DCAARN COC(=O)[C@@H](C)n1cnc2c(nnn2-c2ccc(F)cc2)c1=O ZINC000004139903 415131237 /nfs/dbraw/zinc/13/12/37/415131237.db2.gz COGMDMLFCUMLNF-MRVPVSSYSA-N 0 0 317.280 0.850 50 0 DCAARN CCCn1c(=O)[nH]nc1SCC(=O)NC(=O)NC(C)C ZINC000006888196 415133230 /nfs/dbraw/zinc/13/32/30/415133230.db2.gz HGXYEKMOMVGAKL-UHFFFAOYSA-N 0 0 301.372 0.308 50 0 DCAARN CN(C(=O)COC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000007141456 415138520 /nfs/dbraw/zinc/13/85/20/415138520.db2.gz KWDGESBPNIJEFI-SECBINFHSA-N 0 0 317.388 0.550 50 0 DCAARN CC(=O)Nc1ccc(C(=S)N2CCN(CCO)CC2)cc1 ZINC000025784833 415164010 /nfs/dbraw/zinc/16/40/10/415164010.db2.gz GKSPYNOUNFKVTB-UHFFFAOYSA-N 0 0 307.419 0.930 50 0 DCAARN CCCCN(C(=O)NCC)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000008312751 415144829 /nfs/dbraw/zinc/14/48/29/415144829.db2.gz WKUFBCNZJIVSQD-UHFFFAOYSA-N 0 0 311.386 0.865 50 0 DCAARN CCCCn1nnnc1CN1C(=O)N[C@]2(CCSC2)C1=O ZINC000026492997 415169104 /nfs/dbraw/zinc/16/91/04/415169104.db2.gz OZBLSHRFRGYYMS-LBPRGKRZSA-N 0 0 310.383 0.401 50 0 DCAARN C[C@H](NC(=O)CCn1nnc2ccccc2c1=O)[C@@H]1CCCO1 ZINC000027883090 415174964 /nfs/dbraw/zinc/17/49/64/415174964.db2.gz ITEOZVTZWFZFFI-FZMZJTMJSA-N 0 0 316.361 0.865 50 0 DCAARN C[N@@H+]1CCCN(C(=O)CN(CC(=O)[O-])c2ccccc2)CC1 ZINC000034926618 415184192 /nfs/dbraw/zinc/18/41/92/415184192.db2.gz VOTIOZDNOYDOCG-UHFFFAOYSA-N 0 0 305.378 0.742 50 0 DCAARN CC1CCN(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)CC1 ZINC000044324981 415219559 /nfs/dbraw/zinc/21/95/59/415219559.db2.gz IOUZOZGJTQVDLV-CYBMUJFWSA-N 0 0 311.407 0.779 50 0 DCAARN Cn1c2ccccc2n(CC(=O)N2CCC[C@@H](C(N)=O)C2)c1=O ZINC000044896817 415232651 /nfs/dbraw/zinc/23/26/51/415232651.db2.gz NDKCVGAWNGTKNF-LLVKDONJSA-N 0 0 316.361 0.064 50 0 DCAARN CC(=O)N1CCC(NC(=O)c2cnc3ccccn3c2=O)CC1 ZINC000044907020 415232879 /nfs/dbraw/zinc/23/28/79/415232879.db2.gz LGZYHGTYKWTRGU-UHFFFAOYSA-N 0 0 314.345 0.435 50 0 DCAARN NC(=O)CC1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000044951124 415239217 /nfs/dbraw/zinc/23/92/17/415239217.db2.gz RRKUTQQQOUHTBZ-UHFFFAOYSA-N 0 0 300.366 0.750 50 0 DCAARN Cn1ncc(C(=O)N2CCC(CC(N)=O)CC2)c1-n1cccc1 ZINC000044955614 415240184 /nfs/dbraw/zinc/24/01/84/415240184.db2.gz YIBDYYFKIJWHLP-UHFFFAOYSA-N 0 0 315.377 0.938 50 0 DCAARN C[C@H](C(=O)NCc1cccnc1N1CCOCC1)n1ccnc1 ZINC000045883364 415254839 /nfs/dbraw/zinc/25/48/39/415254839.db2.gz DXQDIDYFWGBWFN-CYBMUJFWSA-N 0 0 315.377 0.992 50 0 DCAARN COCCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccco1 ZINC000045896162 415256402 /nfs/dbraw/zinc/25/64/02/415256402.db2.gz CHASAJLQLVHOOY-NSHDSACASA-N 0 0 305.294 0.745 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)c2ccc3c(c2)CCO3)CC1 ZINC000046449481 415260244 /nfs/dbraw/zinc/26/02/44/415260244.db2.gz CWYKHESXTKGSBM-UHFFFAOYSA-N 0 0 317.389 0.562 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC000332179571 415282383 /nfs/dbraw/zinc/28/23/83/415282383.db2.gz WEUDTYVRLOTQCM-OPRDCNLKSA-N 0 0 310.366 0.866 50 0 DCAARN CC(=O)NCc1ccc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000044720113 415226002 /nfs/dbraw/zinc/22/60/02/415226002.db2.gz GWNQVUVFASVABP-CYBMUJFWSA-N 0 0 324.402 0.487 50 0 DCAARN Cc1nnc(-c2ccc(NC(=O)C(=O)NC(C)(C)CO)cc2)o1 ZINC000044893963 415228350 /nfs/dbraw/zinc/22/83/50/415228350.db2.gz WDOMEXFSDREHQV-UHFFFAOYSA-N 0 0 318.333 0.871 50 0 DCAARN CS(=O)(=O)c1cccc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000044873762 415228793 /nfs/dbraw/zinc/22/87/93/415228793.db2.gz HFSZVESTCJTBFW-JTQLQIEISA-N 0 0 317.388 0.007 50 0 DCAARN O=C(/C=C/c1ccc2c(c1)OCO2)N[C@H]1CCS(=O)(=O)C1 ZINC000044873604 415229920 /nfs/dbraw/zinc/22/99/20/415229920.db2.gz JAIJHJYOIISBJG-FWEMWIAWSA-N 0 0 309.343 0.732 50 0 DCAARN O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1ccncc1 ZINC000044911465 415232032 /nfs/dbraw/zinc/23/20/32/415232032.db2.gz MFGWDIFEUZZWRK-HUUCEWRRSA-N 0 0 305.378 0.549 50 0 DCAARN Cc1cccc2nnc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)n21 ZINC000065313274 415353745 /nfs/dbraw/zinc/35/37/45/415353745.db2.gz XOUZASDZJPNAJI-ZDUSSCGKSA-N 0 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/nfs/dbraw/zinc/10/17/26/547101726.db2.gz MNFIDVXFKOMVJZ-UHFFFAOYSA-N 0 0 300.322 0.625 50 0 DCAARN CCOC(=O)c1cnc(N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)nc1C ZINC000685944851 548749473 /nfs/dbraw/zinc/74/94/73/548749473.db2.gz DJYNUJXROSRVGW-FRRDWIJNSA-N 0 0 317.349 0.945 50 0 DCAARN CCN1C(=O)CCc2cc(S(=O)(=O)N(C)CCO)ccc21 ZINC000257173304 563567864 /nfs/dbraw/zinc/56/78/64/563567864.db2.gz JCTZYPBVCGGWTI-UHFFFAOYSA-N 0 0 312.391 0.599 50 0 DCAARN Cn1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)ccc1=O ZINC000222293010 563724689 /nfs/dbraw/zinc/72/46/89/563724689.db2.gz LLWQFQUBLIKNFA-KGLIPLIRSA-N 0 0 306.362 0.699 50 0 DCAARN CN(C)[C@@H](CNC(=O)CN1CCCCC1=O)c1cnn(C)c1 ZINC000117838726 657820365 /nfs/dbraw/zinc/82/03/65/657820365.db2.gz JRNWKVZCCNBMPM-ZDUSSCGKSA-N 0 0 307.398 0.152 50 0 DCAARN Cn1nncc1S(=O)(=O)N[C@H]1CCc2ccccc2OC1 ZINC000337980982 661517111 /nfs/dbraw/zinc/51/71/11/661517111.db2.gz UAYLQFSMSSFWKS-NSHDSACASA-N 0 0 308.363 0.487 50 0 DCAARN CN(CCO)CC(=O)N(C)Cc1cc(-c2cccnc2)no1 ZINC000426537809 661607722 /nfs/dbraw/zinc/60/77/22/661607722.db2.gz XNEIOQQMZZZKQJ-UHFFFAOYSA-N 0 0 304.350 0.619 50 0 DCAARN Cc1onc(N)c1S(=O)(=O)NCc1cnn2c1CCCC2 ZINC000952995460 665878321 /nfs/dbraw/zinc/87/83/21/665878321.db2.gz NDXHHMIMSWDOOU-UHFFFAOYSA-N 0 0 311.367 0.577 50 0 DCAARN CC(C)c1nnc2n1C[C@@H](NC(=O)c1cncnc1N)CC2 ZINC000192342384 662872080 /nfs/dbraw/zinc/87/20/80/662872080.db2.gz AFSGYIDKKKGHMR-VIFPVBQESA-N 0 0 301.354 0.519 50 0 DCAARN O=C1N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H]1Cc1c[nH]c2ccccc12 ZINC000031158705 663338617 /nfs/dbraw/zinc/33/86/17/663338617.db2.gz YNHVZXATNGMVNC-CABCVRRESA-N 0 0 323.356 0.659 50 0 DCAARN COc1ccc(NS(=O)(=O)N=[S@@](C)(=O)N(C)C)c(C)n1 ZINC000874434149 665175217 /nfs/dbraw/zinc/17/52/17/665175217.db2.gz BZCQBSARHOCTJX-LJQANCHMSA-N 0 0 322.412 0.630 50 0 DCAARN CNC(=O)CN1CCN(C(=O)[C@H]2CCCc3cccnc32)CC1 ZINC000192685177 670185509 /nfs/dbraw/zinc/18/55/09/670185509.db2.gz LEMUQLGYKACGBR-AWEZNQCLSA-N 0 0 316.405 0.392 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@@H](C(=O)N(C)C)C1 ZINC000952979686 685601197 /nfs/dbraw/zinc/60/11/97/685601197.db2.gz RASIFGXWBKIKKX-CQSZACIVSA-N 0 0 322.409 0.285 50 0 DCAARN O=C1[C@H]2CCCN2C(=O)[C@H]2CN(Cc3ccsc3)CCN12 ZINC000014542986 685048426 /nfs/dbraw/zinc/04/84/26/685048426.db2.gz ZIVMRAXVPCXFJR-CHWSQXEVSA-N 0 0 305.403 0.766 50 0 DCAARN Nc1cc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)ccn1 ZINC000020706231 685053033 /nfs/dbraw/zinc/05/30/33/685053033.db2.gz PFDULOWUFUCOSF-CYBMUJFWSA-N 0 0 318.377 0.375 50 0 DCAARN c1c[nH]c(CN2CCn3nc(CN4CCCOCC4)cc3C2)n1 ZINC000072147938 685074179 /nfs/dbraw/zinc/07/41/79/685074179.db2.gz VDZDBZCVIQQRSK-UHFFFAOYSA-N 0 0 316.409 0.844 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3ccc(O)cn3)C[C@H]2O)[nH]n1 ZINC001704303792 1179965947 /nfs/dbraw/zinc/96/59/47/1179965947.db2.gz OORPFJOCFFQMAX-QMTHXVAHSA-N 0 0 302.334 0.494 50 0 DCAARN Cc1ccc(C(=O)N2C[C@H]3COC[C@@H]2C[N@H+](CC(=O)[O-])C3)s1 ZINC001704306561 1179967699 /nfs/dbraw/zinc/96/76/99/1179967699.db2.gz OTXQNXZUQSMSKZ-RYUDHWBXSA-N 0 0 324.402 0.914 50 0 DCAARN [NH3+]CCc1ccc(C[N@@H+]2C[C@@]3(C(=O)[O-])C[C@@]3(C(=O)[O-])C2)cc1 ZINC001704305566 1179967852 /nfs/dbraw/zinc/96/78/52/1179967852.db2.gz LGXZRJKWBJVWOB-IYBDPMFKSA-N 0 0 304.346 0.549 50 0 DCAARN CO[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1Cc1cc(C)no1 ZINC001704326336 1179973694 /nfs/dbraw/zinc/97/36/94/1179973694.db2.gz VJLIJAXVVFVIBW-PWSUYJOCSA-N 0 0 307.350 0.264 50 0 DCAARN O=C(N[C@H]1COC[C@H]1Cc1ccncc1)C(=O)N1CCCCC1 ZINC001704337627 1179977525 /nfs/dbraw/zinc/97/75/25/1179977525.db2.gz BVFBZTXFNQGVCN-CABCVRRESA-N 0 0 317.389 0.768 50 0 DCAARN CN(CC(=O)NC[C@H]1CCCO1)Cc1ccc2nonc2c1 ZINC001704354667 1179982611 /nfs/dbraw/zinc/98/26/11/1179982611.db2.gz KAZUACBSVVLTJG-GFCCVEGCSA-N 0 0 304.350 0.950 50 0 DCAARN CO[C@H]1C[C@H]2CN(C(=O)COCc3ccccc3)CC(=O)N2C1 ZINC000675017354 748025980 /nfs/dbraw/zinc/02/59/80/748025980.db2.gz METNPQOSCMKDEC-GJZGRUSLSA-N 0 0 318.373 0.661 50 0 DCAARN COCc1nc(CO[C@H]2CCCN(S(C)(=O)=O)C2)no1 ZINC000675017617 748026224 /nfs/dbraw/zinc/02/62/24/748026224.db2.gz XHHKRGAJXNVNSA-VIFPVBQESA-N 0 0 305.356 0.157 50 0 DCAARN CO[C@H]1C[C@H]2CN(C(=O)c3n[nH]c4ccccc43)CC(=O)N2C1 ZINC000675017223 748026707 /nfs/dbraw/zinc/02/67/07/748026707.db2.gz KYMQYLVWMLXWPB-QWRGUYRKSA-N 0 0 314.345 0.635 50 0 DCAARN COCCc1nc(CO[C@H]2CCCN(C(=O)COC)C2)no1 ZINC000675017049 748026889 /nfs/dbraw/zinc/02/68/89/748026889.db2.gz PCSFSVNEZYFPHC-NSHDSACASA-N 0 0 313.354 0.413 50 0 DCAARN CN(C)C(=O)N(CCNC(=O)c1ccccn1)C1CCOCC1 ZINC000675022709 748027503 /nfs/dbraw/zinc/02/75/03/748027503.db2.gz SONWTUBILBETPN-UHFFFAOYSA-N 0 0 320.393 0.974 50 0 DCAARN Cc1cc(C(=O)NCCN(C(=O)N(C)C)C2CCOCC2)no1 ZINC000675022134 748028059 /nfs/dbraw/zinc/02/80/59/748028059.db2.gz JUAPJFNFQPGJGO-UHFFFAOYSA-N 0 0 324.381 0.875 50 0 DCAARN CN(C)C(=O)N(CCNC(=O)c1ccncn1)C1CCOCC1 ZINC000675021830 748028372 /nfs/dbraw/zinc/02/83/72/748028372.db2.gz FHLIFNIVBWWRCL-UHFFFAOYSA-N 0 0 321.381 0.369 50 0 DCAARN C[C@H](Cc1ccsc1)NC(=O)c1cc(=O)n(C)c(=O)n1C ZINC000821810268 758181528 /nfs/dbraw/zinc/18/15/28/758181528.db2.gz YBSBRXKQNUTRTK-SECBINFHSA-N 0 0 307.375 0.507 50 0 DCAARN CCCn1cc(S(=O)(=O)N[C@@H](C)c2nnc(N)s2)cn1 ZINC000823032995 758218149 /nfs/dbraw/zinc/21/81/49/758218149.db2.gz FUMWQSDXJFKCNX-ZETCQYMHSA-N 0 0 316.412 0.766 50 0 DCAARN COCCc1noc([C@H](C)NS(=O)(=O)N2CCCC2)n1 ZINC000824462316 758775180 /nfs/dbraw/zinc/77/51/80/758775180.db2.gz GMNRTQKGQOLSRG-VIFPVBQESA-N 0 0 304.372 0.250 50 0 DCAARN CO[C@H]1CN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C[C@@H]1O ZINC000824504703 758778053 /nfs/dbraw/zinc/77/80/53/758778053.db2.gz FUIXVSWGIBCOQL-STQMWFEESA-N 0 0 314.363 0.025 50 0 DCAARN O=C1NCC2(CN(Cc3cnc(NCc4ccccc4)nc3)C2)N1 ZINC000828305525 758977877 /nfs/dbraw/zinc/97/78/77/758977877.db2.gz RNQATBYQZBIEFT-UHFFFAOYSA-N 0 0 324.388 0.956 50 0 DCAARN COCCc1noc(C2CN(C(=O)c3cc(C)n(C)n3)C2)n1 ZINC000581809741 760254967 /nfs/dbraw/zinc/25/49/67/760254967.db2.gz XHPFPQPKECAADS-UHFFFAOYSA-N 0 0 305.338 0.540 50 0 DCAARN O=C(C1CCC1)N1CC(n2cc(C(=O)N3CCCC3)nn2)C1 ZINC000581810710 760255286 /nfs/dbraw/zinc/25/52/86/760255286.db2.gz OTNIOPSZLYNTJQ-UHFFFAOYSA-N 0 0 303.366 0.698 50 0 DCAARN CN(c1ncnc2[nH]ccc21)C1CN(c2ccc3nncn3n2)C1 ZINC000585592727 768081754 /nfs/dbraw/zinc/08/17/54/768081754.db2.gz PQPANORYOYWQHZ-UHFFFAOYSA-N 0 0 321.348 0.721 50 0 DCAARN CCCOCC(=O)N[C@H]1CN(CC(N)=O)C[C@@H]1c1ccc(C)o1 ZINC000219557278 766270448 /nfs/dbraw/zinc/27/04/48/766270448.db2.gz BQKBEXPQFOLKIL-STQMWFEESA-N 0 0 323.393 0.384 50 0 DCAARN COc1cc(N2CCC3(C[C@@H](C(=O)[O-])[N@H+](C)C3)CC2)nc(N)n1 ZINC000219566225 766270880 /nfs/dbraw/zinc/27/08/80/766270880.db2.gz NMOVACPPRTXYAA-JTQLQIEISA-N 0 0 321.381 0.443 50 0 DCAARN COCC(=O)N1CCN(C)C[C@H]1c1nnc(C2CCOCC2)[nH]1 ZINC000219620626 766273353 /nfs/dbraw/zinc/27/33/53/766273353.db2.gz VMQHTKYNERFOTA-LBPRGKRZSA-N 0 0 323.397 0.160 50 0 DCAARN COc1ccc(C(=O)NCCC(=O)Nc2ncccc2C)nn1 ZINC000585087926 766275438 /nfs/dbraw/zinc/27/54/38/766275438.db2.gz BSAPYRNRVIAYRP-UHFFFAOYSA-N 0 0 315.333 0.947 50 0 DCAARN Cn1ncc2c1nc(NCC[S@](=O)C(F)(F)F)[nH]c2=O ZINC000585092777 766278101 /nfs/dbraw/zinc/27/81/01/766278101.db2.gz NGWPXDTVTNRPJB-HXUWFJFHSA-N 0 0 309.273 0.749 50 0 DCAARN CNC(=O)CSC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000585118477 766285886 /nfs/dbraw/zinc/28/58/86/766285886.db2.gz QDLXDBOUCFXSOE-ZDUSSCGKSA-N 0 0 304.412 0.838 50 0 DCAARN C[C@@H]1C[C@H](C(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CC(C)(C)C1 ZINC000585130759 766290841 /nfs/dbraw/zinc/29/08/41/766290841.db2.gz BEHUHJSIGZPICJ-RHYQMDGZSA-N 0 0 309.410 0.494 50 0 DCAARN C[C@@H]1C[C@H](C(=O)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC(C)(C)C1 ZINC000585130758 766290957 /nfs/dbraw/zinc/29/09/57/766290957.db2.gz BEHUHJSIGZPICJ-KXNHARMFSA-N 0 0 309.410 0.494 50 0 DCAARN COCCOc1cccc(C(=O)NCCCN2CN=NC2=O)c1 ZINC000585130621 766291841 /nfs/dbraw/zinc/29/18/41/766291841.db2.gz WVADYWCINRWTDS-UHFFFAOYSA-N 0 0 320.349 0.829 50 0 DCAARN Cn1cnnc1SCCNC(=O)/C=C/c1cnc(N)nc1 ZINC000952871958 768933543 /nfs/dbraw/zinc/93/35/43/768933543.db2.gz DTLKBOVSQLPTTA-NSCUHMNNSA-N 0 0 305.367 0.109 50 0 DCAARN CNC(=O)N[C@@H]1CCCN(C(=O)C2(C(=O)NC3CC3)CCC2)C1 ZINC000952881781 768947972 /nfs/dbraw/zinc/94/79/72/768947972.db2.gz JHSBVMPHUHKAPX-GFCCVEGCSA-N 0 0 322.409 0.355 50 0 DCAARN Cc1cccc(NC(=O)CC(=O)NCCc2ncnn2C)c1 ZINC000952865709 768955066 /nfs/dbraw/zinc/95/50/66/768955066.db2.gz WZIZPPFQOPTARY-UHFFFAOYSA-N 0 0 301.350 0.811 50 0 DCAARN Cc1ccc2cc(CN[C@@H]3CS(=O)(=O)C[C@H]3O)ccc2n1 ZINC000904217748 775954949 /nfs/dbraw/zinc/95/49/49/775954949.db2.gz QSMDFJKQULYMSJ-HUUCEWRRSA-N 0 0 306.387 0.791 50 0 DCAARN CCNC(=O)c1ccc(NC[C@H]2CC(=O)N(CCOC)C2)nc1 ZINC001529113723 1014498306 /nfs/dbraw/zinc/49/83/06/1014498306.db2.gz IHVQEUNLMISGGU-GFCCVEGCSA-N 0 0 320.393 0.738 50 0 DCAARN CN1CC[NH+](C[C@H]2CCCN(c3cncc(C(=O)[O-])n3)C2)CC1 ZINC001529118248 1014499557 /nfs/dbraw/zinc/49/95/57/1014499557.db2.gz HOWSGERRFAWUBA-CYBMUJFWSA-N 0 0 319.409 0.639 50 0 DCAARN O=C(CCN1CCCC1=O)N[C@H]1COC[C@H]1Cc1ccncc1 ZINC001529133881 1014502066 /nfs/dbraw/zinc/50/20/66/1014502066.db2.gz FSLPTQSGLOUDMY-CABCVRRESA-N 0 0 317.389 0.768 50 0 DCAARN O=C(CCc1[nH]nc2c1CCCC2)N1CCN2C(=O)OC[C@@H]2C1 ZINC001506402098 1017255458 /nfs/dbraw/zinc/25/54/58/1017255458.db2.gz UHWXUSNPBGBYRX-NSHDSACASA-N 0 0 318.377 0.884 50 0 DCAARN O=S1(=O)CC[C@@H](Nc2nccc(N3CCC(O)CC3)n2)C1 ZINC001506412736 1017261364 /nfs/dbraw/zinc/26/13/64/1017261364.db2.gz NFOGNMMUERJPQO-SNVBAGLBSA-N 0 0 312.395 0.037 50 0 DCAARN Nc1nnc(CCNC(=O)c2n[nH]c(=O)c3ccccc32)s1 ZINC001506413784 1017264221 /nfs/dbraw/zinc/26/42/21/1017264221.db2.gz LBJKKBHXUAQGOC-UHFFFAOYSA-N 0 0 316.346 0.742 50 0 DCAARN Cc1cc(N)n(CC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)n1 ZINC001506421561 1017266408 /nfs/dbraw/zinc/26/64/08/1017266408.db2.gz IRGXEJDZWXCNMK-NSHDSACASA-N 0 0 314.411 0.057 50 0 DCAARN Cc1cc(C(=O)[O-])nc(NCCC[N@@H+]2CCC[C@H](CO)C2)n1 ZINC001506429623 1017270815 /nfs/dbraw/zinc/27/08/15/1017270815.db2.gz SERVPJWWRWYDIP-LBPRGKRZSA-N 0 0 308.382 0.990 50 0 DCAARN Nc1ncc(C(=O)N2C[C@@H](O)[C@H](F)C2)c(-c2ccccc2)n1 ZINC001506401505 1017255664 /nfs/dbraw/zinc/25/56/64/1017255664.db2.gz IUECELCGLXYVMS-VXGBXAGGSA-N 0 0 302.309 0.881 50 0 DCAARN CC(C)[C@@H](C(=O)Nc1nc[nH]n1)n1nnc2ccccc2c1=O ZINC000095479789 185373544 /nfs/dbraw/zinc/37/35/44/185373544.db2.gz PRZXAOYGWZWRHV-NSHDSACASA-N 0 0 313.321 0.745 50 0 DCAARN CCCN1C(=O)N[C@@H](Cc2nc(-c3cccnn3)no2)C1=O ZINC000095504953 185375339 /nfs/dbraw/zinc/37/53/39/185375339.db2.gz HSGDJPRWSZXDHX-VIFPVBQESA-N 0 0 302.294 0.400 50 0 DCAARN CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3ncccn3)C2)n1 ZINC000225406253 201702999 /nfs/dbraw/zinc/70/29/99/201702999.db2.gz BFNVLCFINFGGNB-LLVKDONJSA-N 0 0 314.349 0.626 50 0 DCAARN O=C(CN1CCOC1=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000095530699 185378786 /nfs/dbraw/zinc/37/87/86/185378786.db2.gz CCZUWXSIMPJETK-UHFFFAOYSA-N 0 0 323.374 0.485 50 0 DCAARN Cc1ccc(O[C@H]2CCN(C(=O)Cn3ncccc3=O)C2)nn1 ZINC000225427241 201705693 /nfs/dbraw/zinc/70/56/93/201705693.db2.gz CQGMRFQANMFNPK-LBPRGKRZSA-N 0 0 315.333 0.022 50 0 DCAARN Cc1cc(C)n(-c2cncc(NCCNS(C)(=O)=O)n2)n1 ZINC000078979678 185139464 /nfs/dbraw/zinc/13/94/64/185139464.db2.gz ZNCILKYPXLTHCJ-UHFFFAOYSA-N 0 0 310.383 0.240 50 0 DCAARN CCOc1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1 ZINC000096870208 185390072 /nfs/dbraw/zinc/39/00/72/185390072.db2.gz BSYRCVWKNWJWKP-UHFFFAOYSA-N 0 0 311.319 0.263 50 0 DCAARN CN(C)c1ccc(O[C@@H]2CCN(C(=O)Cn3cccn3)C2)nn1 ZINC000225446713 201709601 /nfs/dbraw/zinc/70/96/01/201709601.db2.gz RPJKKFVPGHYLBG-GFCCVEGCSA-N 0 0 316.365 0.419 50 0 DCAARN C[C@@H](CNC(=O)Cn1cnnn1)c1nc(-c2ccccc2)no1 ZINC000090013608 185277917 /nfs/dbraw/zinc/27/79/17/185277917.db2.gz RTAWQHKBLOYMIN-JTQLQIEISA-N 0 0 313.321 0.643 50 0 DCAARN CCCC[C@@H]1C(=O)N(C)CCN1C(=O)CCc1nnc(C)[nH]1 ZINC000082098225 192355295 /nfs/dbraw/zinc/35/52/95/192355295.db2.gz YHJIYSNWLAYEMV-GFCCVEGCSA-N 0 0 307.398 0.905 50 0 DCAARN CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000092569431 185326651 /nfs/dbraw/zinc/32/66/51/185326651.db2.gz VOXKLGXUNWLJBC-VIFPVBQESA-N 0 0 305.787 0.822 50 0 DCAARN O=C(CN1CCOC1=O)N1CCC(CCn2cccn2)CC1 ZINC000082127692 192358760 /nfs/dbraw/zinc/35/87/60/192358760.db2.gz PBFBYJKROVDSDL-UHFFFAOYSA-N 0 0 306.366 0.964 50 0 DCAARN Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2=O)cc1 ZINC000082134608 192361106 /nfs/dbraw/zinc/36/11/06/192361106.db2.gz QCCVWQAAVIGLAJ-ZDUSSCGKSA-N 0 0 316.361 0.194 50 0 DCAARN O=C(CCn1cnnn1)N1CCCN(c2ccccc2)CC1 ZINC000082148459 192361472 /nfs/dbraw/zinc/36/14/72/192361472.db2.gz VDHCGCWFHAIFHT-UHFFFAOYSA-N 0 0 300.366 0.802 50 0 DCAARN CCCc1nn([C@@H]2CCCN(c3cnn(C)c3)C2=O)c(=O)o1 ZINC000095416456 185358969 /nfs/dbraw/zinc/35/89/69/185358969.db2.gz YEWMFOILBWLIFH-LLVKDONJSA-N 0 0 305.338 0.890 50 0 DCAARN COc1nc(C)cc(C)c1-c1noc(CNS(C)(=O)=O)n1 ZINC000095431104 185363228 /nfs/dbraw/zinc/36/32/28/185363228.db2.gz JACPBNRSHUWVRF-UHFFFAOYSA-N 0 0 312.351 0.806 50 0 DCAARN Cc1ccc(C)c(CS(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 ZINC000095450346 185368707 /nfs/dbraw/zinc/36/87/07/185368707.db2.gz FTDQCUACUOIMHX-QWHCGFSZSA-N 0 0 318.416 0.376 50 0 DCAARN CCS(=O)(=O)NCCN1CCO[C@H](Cc2ccccc2)C1 ZINC000181545826 199314812 /nfs/dbraw/zinc/31/48/12/199314812.db2.gz JYWPZLKDNXVWKD-OAHLLOKOSA-N 0 0 312.435 0.869 50 0 DCAARN Cc1nnc2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)nn12 ZINC000095454389 185369655 /nfs/dbraw/zinc/36/96/55/185369655.db2.gz AFMAHMIMRCIIAE-UHFFFAOYSA-N 0 0 322.394 0.047 50 0 DCAARN O=C(CNC(=O)NCc1ccc(Cl)cc1)NCc1cn[nH]n1 ZINC000097011477 185396935 /nfs/dbraw/zinc/39/69/35/185396935.db2.gz PACIMTUXVXIPGC-UHFFFAOYSA-N 0 0 322.756 0.574 50 0 DCAARN Cc1nnc([C@@H](NS(=O)(=O)N2CCO[C@H](C)C2)C(C)C)[nH]1 ZINC000097011971 185397035 /nfs/dbraw/zinc/39/70/35/185397035.db2.gz DDSKDAQSXWPODA-KOLCDFICSA-N 0 0 317.415 0.365 50 0 DCAARN CC(C)N(CCC(=O)N1CCOCC1)C(=O)c1cnccn1 ZINC000035819444 545645808 /nfs/dbraw/zinc/64/58/08/545645808.db2.gz XLSLILQHKURONV-UHFFFAOYSA-N 0 0 306.366 0.576 50 0 DCAARN Cn1nc2cccc(NC(=O)NCc3nnc4n3CCC4)c2n1 ZINC000097137429 185414074 /nfs/dbraw/zinc/41/40/74/185414074.db2.gz XRJZGCCLKGJCCN-UHFFFAOYSA-N 0 0 312.337 0.828 50 0 DCAARN CN(C(=O)CN1C(=O)NC2(CCOCC2)C1=O)C1CCCCC1 ZINC000169773472 197752916 /nfs/dbraw/zinc/75/29/16/197752916.db2.gz BYENVXDLWGSAOE-UHFFFAOYSA-N 0 0 323.393 0.879 50 0 DCAARN NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCS(=O)CC1 ZINC000330713679 232013889 /nfs/dbraw/zinc/01/38/89/232013889.db2.gz XBBGFYNONGQFBL-GFCCVEGCSA-N 0 0 309.391 0.271 50 0 DCAARN C[C@H](NC(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C)c1cn[nH]c1 ZINC000286770820 219157848 /nfs/dbraw/zinc/15/78/48/219157848.db2.gz QCUSJWVHNMIKNQ-SGMGOOAPSA-N 0 0 307.398 0.975 50 0 DCAARN Cn1nncc1S(=O)(=O)NC[C@@H](CCO)c1ccccc1 ZINC000170613355 197790541 /nfs/dbraw/zinc/79/05/41/197790541.db2.gz CUVGGYCMHNFUSO-GFCCVEGCSA-N 0 0 310.379 0.260 50 0 DCAARN CC[C@H](C)NC(=O)Cn1ncc2c(c1=O)N(CC)C(=O)CS2 ZINC000065132516 545659738 /nfs/dbraw/zinc/65/97/38/545659738.db2.gz ODTKAXFOYOCLIW-VIFPVBQESA-N 0 0 324.406 0.617 50 0 DCAARN COC(=O)CN(CC(=O)OC(C)(C)C)C(=O)COCC1CC1 ZINC000069740736 190811349 /nfs/dbraw/zinc/81/13/49/190811349.db2.gz LTAMQMUENVONFG-UHFFFAOYSA-N 0 0 315.366 0.756 50 0 DCAARN CCNc1cc2c(nn1)CCN(C(=O)C1=NN(C)C(=O)CC1)C2 ZINC000069879187 190833074 /nfs/dbraw/zinc/83/30/74/190833074.db2.gz JEBRZJPBWUBIQU-UHFFFAOYSA-N 0 0 316.365 0.401 50 0 DCAARN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000084012079 192395807 /nfs/dbraw/zinc/39/58/07/192395807.db2.gz VNKFGBHXSURZPN-KNXALSJPSA-N 0 0 320.437 0.757 50 0 DCAARN Cc1cc(CN(C)[C@@H](C)C(=O)N(C)C)c(C)n1-n1cnnc1 ZINC000071712034 191011211 /nfs/dbraw/zinc/01/12/11/191011211.db2.gz ZFDQAALHYVJBAY-ZDUSSCGKSA-N 0 0 304.398 0.916 50 0 DCAARN COC(=O)C[C@@H](C)NC(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000071853847 191032513 /nfs/dbraw/zinc/03/25/13/191032513.db2.gz QZZLCHFUIKQRSX-LLVKDONJSA-N 0 0 317.349 0.716 50 0 DCAARN O=C(N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1)c1c[nH]c(=O)[nH]1 ZINC000072127458 191042774 /nfs/dbraw/zinc/04/27/74/191042774.db2.gz 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/nfs/dbraw/zinc/06/10/49/191061049.db2.gz BABCIWKVXFDMFW-CQSZACIVSA-N 0 0 316.321 0.229 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC(c2cccnc2)C1 ZINC000072170529 191068773 /nfs/dbraw/zinc/06/87/73/191068773.db2.gz NGKGJRXXRHFIAN-CYBMUJFWSA-N 0 0 309.391 0.431 50 0 DCAARN CC(=O)NCc1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)o1 ZINC000072235077 191080212 /nfs/dbraw/zinc/08/02/12/191080212.db2.gz DUXUGYUAORJZIM-GFCCVEGCSA-N 0 0 317.349 0.985 50 0 DCAARN COCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 ZINC000072241735 191085177 /nfs/dbraw/zinc/08/51/77/191085177.db2.gz BCEFHZGDFRJOIQ-KBPBESRZSA-N 0 0 310.325 0.487 50 0 DCAARN C[C@H](NC(=O)NCc1cn(C)nc1C(F)(F)F)C(=O)N(C)C ZINC000178855031 299165861 /nfs/dbraw/zinc/16/58/61/299165861.db2.gz KFICXCISWKMEPB-ZETCQYMHSA-N 0 0 321.303 0.715 50 0 DCAARN CN(C)c1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)nn1 ZINC000072253240 191087350 /nfs/dbraw/zinc/08/73/50/191087350.db2.gz CRDKFHXMCGHSRN-NSHDSACASA-N 0 0 301.354 0.611 50 0 DCAARN CC(C)N1C[C@@H](NC(=O)NC[C@H](C)Cn2cccn2)CC1=O ZINC000072293215 191109840 /nfs/dbraw/zinc/10/98/40/191109840.db2.gz QRGLDEYEGVXLIJ-STQMWFEESA-N 0 0 307.398 0.828 50 0 DCAARN C[C@H]1C(=O)NCCN1S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000225659710 186287508 /nfs/dbraw/zinc/28/75/08/186287508.db2.gz OHLLQRSKMTUMGH-LURJTMIESA-N 0 0 307.734 0.383 50 0 DCAARN COC(=O)c1cn(-c2cccc(C(N)=O)c2)cc2c(=O)[nH]nc1-2 ZINC000253413467 186310409 /nfs/dbraw/zinc/31/04/09/186310409.db2.gz UVYMFTKGILUIJL-UHFFFAOYSA-N 0 0 312.285 0.551 50 0 DCAARN CCN(Cc1ccccc1)C(=O)CNC(=O)[C@H](C)CC(N)=O ZINC000253405776 186307684 /nfs/dbraw/zinc/30/76/84/186307684.db2.gz QLRQIBOQSQVGFQ-GFCCVEGCSA-N 0 0 305.378 0.663 50 0 DCAARN C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072313342 191119518 /nfs/dbraw/zinc/11/95/18/191119518.db2.gz XFFRJBWLQGUSNV-VHSXEESVSA-N 0 0 300.384 0.053 50 0 DCAARN NC(=O)[C@H]1CCCN(C(=O)CNc2cccc3c2OCCO3)C1 ZINC000072313913 191121186 /nfs/dbraw/zinc/12/11/86/191121186.db2.gz 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O=C(Cn1cnc2ccc(Cl)cc2c1=O)N1CCOCC1 ZINC000005253747 181222379 /nfs/dbraw/zinc/22/23/79/181222379.db2.gz GBAZBXMVSJVROM-UHFFFAOYSA-N 0 0 307.737 0.909 50 0 DCAARN O=C(NC[C@H]1CCCO1)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000005353052 181233613 /nfs/dbraw/zinc/23/36/13/181233613.db2.gz XIXWZMZLNMZBQZ-VXGBXAGGSA-N 0 0 312.366 0.084 50 0 DCAARN COCCN([C@H](C)C(N)=O)S(=O)(=O)c1cc(C)cc(F)c1 ZINC000080740914 192186822 /nfs/dbraw/zinc/18/68/22/192186822.db2.gz PBELZJFWPVDBBP-SNVBAGLBSA-N 0 0 318.370 0.645 50 0 DCAARN Cc1cc([C@H](O)CCNC(=O)CN2C(=O)CCC2=O)c(C)o1 ZINC000085561306 192515968 /nfs/dbraw/zinc/51/59/68/192515968.db2.gz ICCIIDUZLBHYFJ-GFCCVEGCSA-N 0 0 308.334 0.585 50 0 DCAARN CN1C[C@H](COC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)CC1=O ZINC000095459248 283233594 /nfs/dbraw/zinc/23/35/94/283233594.db2.gz PJOOWHIGGACNQQ-ISTVAULSSA-N 0 0 312.391 0.462 50 0 DCAARN CCn1cnnc1CCNC(=O)[C@H]1Cc2ccccc2C(=O)N1 ZINC000426658213 240352878 /nfs/dbraw/zinc/35/28/78/240352878.db2.gz KTKHCGHFVDVHAJ-CYBMUJFWSA-N 0 0 313.361 0.311 50 0 DCAARN Cc1nc(CC(=O)N2CCN(c3nc[nH]n3)CC2)c(C)s1 ZINC000244652074 202486749 /nfs/dbraw/zinc/48/67/49/202486749.db2.gz GZHAVTFKMJNUSM-UHFFFAOYSA-N 0 0 306.395 0.769 50 0 DCAARN Cc1c[nH]cc1C(=O)N1CCCC[C@@H]1CNS(N)(=O)=O ZINC000566094005 291268660 /nfs/dbraw/zinc/26/86/60/291268660.db2.gz RLVDXLMITQIWDK-SNVBAGLBSA-N 0 0 300.384 0.111 50 0 DCAARN CC(=O)Nc1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1 ZINC000006347824 181333206 /nfs/dbraw/zinc/33/32/06/181333206.db2.gz KQLNBJGWNSYYJM-UHFFFAOYSA-N 0 0 304.302 0.951 50 0 DCAARN CO[C@@H](C)CS(=O)(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000195413602 201388182 /nfs/dbraw/zinc/38/81/82/201388182.db2.gz FRPNUTKOTSOTHB-LBPRGKRZSA-N 0 0 318.439 0.828 50 0 DCAARN COc1ccc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000006552268 181353346 /nfs/dbraw/zinc/35/33/46/181353346.db2.gz FWHWCHMXJOIVJJ-GFCCVEGCSA-N 0 0 312.391 0.753 50 0 DCAARN O=C1C[C@H](n2nnn(-c3cccnc3)c2=S)[C@H]2CO[C@@H]1O2 ZINC000006658570 181366563 /nfs/dbraw/zinc/36/65/63/181366563.db2.gz LIOJSDDZKFHIEH-JMJZKYOTSA-N 0 0 305.319 0.449 50 0 DCAARN Cc1nnnn1CCC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](c2ccccn2)C1 ZINC000091321286 193039758 /nfs/dbraw/zinc/03/97/58/193039758.db2.gz PISRZXQHGTUGIB-CHWSQXEVSA-N 0 0 316.365 0.567 50 0 DCAARN CCn1nc(CC(C)C)cc1C(=O)NCCN1CCNC1=O ZINC000091616830 193079679 /nfs/dbraw/zinc/07/96/79/193079679.db2.gz ROHPFSZTTNDERS-UHFFFAOYSA-N 0 0 307.398 0.857 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2cccn2)CC[C@@]1(O)C1CCOCC1 ZINC000091645866 193084924 /nfs/dbraw/zinc/08/49/24/193084924.db2.gz WDXIYCVIPVWDLC-CJNGLKHVSA-N 0 0 307.394 0.909 50 0 DCAARN NC(=O)N1CCC[C@@H](C(=O)NCc2ncc3c(n2)CCC3)C1 ZINC000091651438 193084957 /nfs/dbraw/zinc/08/49/57/193084957.db2.gz QGQXVPAMDJIWGI-LLVKDONJSA-N 0 0 303.366 0.372 50 0 DCAARN Cn1c(=O)[nH]cc(Cc2ncnn2-c2ccc(F)c(F)c2)c1=O ZINC000091636403 193082990 /nfs/dbraw/zinc/08/29/90/193082990.db2.gz XKFQQWNASKYQOI-UHFFFAOYSA-N 0 0 319.271 0.523 50 0 DCAARN NC(=O)CN1CCC(C(=O)NC[C@H](O)c2cccc(F)c2)CC1 ZINC000091781655 193107153 /nfs/dbraw/zinc/10/71/53/193107153.db2.gz YQGWAFADLLIUBX-AWEZNQCLSA-N 0 0 323.368 0.173 50 0 DCAARN COCCC[C@]1(CO)CCCN(C(=O)N2CCN(C)CC2)C1 ZINC000091829160 193112999 /nfs/dbraw/zinc/11/29/99/193112999.db2.gz WTJBFJGUQNQWAA-MRXNPFEDSA-N 0 0 313.442 0.855 50 0 DCAARN Cc1cccc([C@H](C(=O)NCc2noc(C(N)=O)n2)N(C)C)c1 ZINC000092037272 193144537 /nfs/dbraw/zinc/14/45/37/193144537.db2.gz GSSQBTMQYLMIOD-GFCCVEGCSA-N 0 0 317.349 0.396 50 0 DCAARN CC(C)Cc1cc(C(=O)NCc2nc(N)nc(N(C)C)n2)on1 ZINC000092047107 193147581 /nfs/dbraw/zinc/14/75/81/193147581.db2.gz DHPBZIDSQLYSKU-UHFFFAOYSA-N 0 0 319.369 0.636 50 0 DCAARN CN1CCC[C@@]2(CCN(C(=O)CCc3cnccn3)C2)C1=O ZINC000092061866 193150643 /nfs/dbraw/zinc/15/06/43/193150643.db2.gz HHFQPAORBKWKOL-INIZCTEOSA-N 0 0 302.378 0.880 50 0 DCAARN CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCCn2nnnc21 ZINC000496035930 241229047 /nfs/dbraw/zinc/22/90/47/241229047.db2.gz LDHSKQHDYNCDAN-SECBINFHSA-N 0 0 308.342 0.419 50 0 DCAARN COC[C@@H]1[C@H](NC(=O)c2cnn3cc(C)cnc23)[C@@H]2CCO[C@H]12 ZINC000218991256 201547604 /nfs/dbraw/zinc/54/76/04/201547604.db2.gz FEOPOZVDUKITQD-ASEORRQLSA-N 0 0 316.361 0.817 50 0 DCAARN C[C@@H]1CCNC(=O)[C@H]1NC(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000282123073 216759812 /nfs/dbraw/zinc/75/98/12/216759812.db2.gz GLUGZTNFBOHSOF-SKDRFNHKSA-N 0 0 319.365 0.430 50 0 DCAARN O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1c[nH]c(=O)[nH]1 ZINC000252537215 202864748 /nfs/dbraw/zinc/86/47/48/202864748.db2.gz KSNNQOFVOIPBPC-TUAOUCFPSA-N 0 0 302.334 0.210 50 0 DCAARN CCOC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000260212148 203070098 /nfs/dbraw/zinc/07/00/98/203070098.db2.gz DBIUDLBCUURGTH-JTQLQIEISA-N 0 0 321.395 0.974 50 0 DCAARN CCOC(=O)N1CCN(C(=O)c2cnc(N(C)C)nc2C)CC1 ZINC000095368311 193433533 /nfs/dbraw/zinc/43/35/33/193433533.db2.gz ICGCGVRETQGBFP-UHFFFAOYSA-N 0 0 321.381 0.765 50 0 DCAARN CN1C[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1=O ZINC000095956341 193458540 /nfs/dbraw/zinc/45/85/40/193458540.db2.gz YFHUAEIPKAVAMS-ZIAGYGMSSA-N 0 0 315.373 0.382 50 0 DCAARN COC(=O)[C@@H]1SC[C@@H]2C(=O)N(Cc3ccccc3)CC(=O)N21 ZINC000003048336 284198225 /nfs/dbraw/zinc/19/82/25/284198225.db2.gz VCXUJZJMURAMLH-RISCZKNCSA-N 0 0 320.370 0.472 50 0 DCAARN CS(=O)(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000096098218 193536858 /nfs/dbraw/zinc/53/68/58/193536858.db2.gz PXGKNNXZXJJAIO-UHFFFAOYSA-N 0 0 304.393 0.279 50 0 DCAARN CCNC(=O)[C@@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 ZINC000096101433 193537896 /nfs/dbraw/zinc/53/78/96/193537896.db2.gz GCPYBLQBMYSLKT-MRVPVSSYSA-N 0 0 304.272 0.934 50 0 DCAARN CCNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000008269944 181542174 /nfs/dbraw/zinc/54/21/74/181542174.db2.gz DKDZJAQQZDTMCQ-GFCCVEGCSA-N 0 0 312.391 0.894 50 0 DCAARN COC(=O)C[C@H](NC(=O)NCc1ccc(OC)cc1)C(=O)OC ZINC000009547800 181628402 /nfs/dbraw/zinc/62/84/02/181628402.db2.gz ARUJREVKHLAZML-LBPRGKRZSA-N 0 0 324.333 0.599 50 0 DCAARN CSCc1nnc(S[C@H](C)C(=O)N2CCNC2=O)o1 ZINC000009457160 181622987 /nfs/dbraw/zinc/62/29/87/181622987.db2.gz FEUJIWALYPIAFI-ZCFIWIBFSA-N 0 0 302.381 0.965 50 0 DCAARN CCCCCCn1c(NCCO)nc2c1c(=O)n(C)c(=O)n2C ZINC000009156976 181604732 /nfs/dbraw/zinc/60/47/32/181604732.db2.gz DPKRAUKEMYBVIW-UHFFFAOYSA-N 0 0 323.397 0.418 50 0 DCAARN COC(=O)c1cccc(C(=O)NC(=S)N2CCOCC2)c1 ZINC000010293250 181664299 /nfs/dbraw/zinc/66/42/99/181664299.db2.gz ISKVIJPQYJOUFD-UHFFFAOYSA-N 0 0 308.359 0.820 50 0 DCAARN COc1cn(CC(=O)Nc2ccc(C(N)=O)cc2)c(C)cc1=O ZINC000012449791 181764204 /nfs/dbraw/zinc/76/42/04/181764204.db2.gz OCFKQKNPENTSON-UHFFFAOYSA-N 0 0 315.329 0.903 50 0 biogenic DCAARN C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(F)c(F)c1 ZINC000012808114 181799788 /nfs/dbraw/zinc/79/97/88/181799788.db2.gz TUUBVODFRSOCTI-QMMMGPOBSA-N 0 0 309.272 0.692 50 0 DCAARN CS(=O)(=O)N1CCN(CC(=O)NC2CCCCCC2)CC1 ZINC000013323815 181843169 /nfs/dbraw/zinc/84/31/69/181843169.db2.gz VBUNNQJKZCLKSE-UHFFFAOYSA-N 0 0 317.455 0.403 50 0 DCAARN O=C(NCCN1CCOCC1)N[C@H]1COc2ccccc2C1 ZINC000015787237 182017773 /nfs/dbraw/zinc/01/77/73/182017773.db2.gz DHBZUBVCQZDMPN-CQSZACIVSA-N 0 0 305.378 0.622 50 0 DCAARN CCOc1ccccc1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000016580072 182050149 /nfs/dbraw/zinc/05/01/49/182050149.db2.gz SYORLYILKHAUSL-UHFFFAOYSA-N 0 0 312.391 0.803 50 0 DCAARN CCOC(CNC(=O)c1c(O)nc2ccccn2c1=O)OCC ZINC000016689970 182057869 /nfs/dbraw/zinc/05/78/69/182057869.db2.gz VDNGFDHGVXAXCA-UHFFFAOYSA-N 0 0 321.333 0.529 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)NCc2cccnc2)cc1 ZINC000016726254 182059003 /nfs/dbraw/zinc/05/90/03/182059003.db2.gz SVJUOCLTJUZZQN-UHFFFAOYSA-N 0 0 305.359 0.920 50 0 DCAARN CN(C)S(=O)(=O)NCCOc1ccc(-c2ccccc2)nn1 ZINC000016913680 182064450 /nfs/dbraw/zinc/06/44/50/182064450.db2.gz KMWVCILBILEPIN-UHFFFAOYSA-N 0 0 322.390 0.918 50 0 DCAARN O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1nccs1 ZINC000017066429 182074192 /nfs/dbraw/zinc/07/41/92/182074192.db2.gz MCXPYVXKLXZKGJ-NSHDSACASA-N 0 0 324.406 0.405 50 0 DCAARN CN(C)C(=O)CN(C)S(=O)(=O)c1cccc2nsnc21 ZINC000019112336 182104350 /nfs/dbraw/zinc/10/43/50/182104350.db2.gz FCEXPYURXCDECB-UHFFFAOYSA-N 0 0 314.392 0.400 50 0 DCAARN O[C@@H](CN1CCCN(C[C@H](O)C(F)(F)F)CC1)C(F)(F)F ZINC000019362162 182118453 /nfs/dbraw/zinc/11/84/53/182118453.db2.gz WIMBFQAYZDLXAW-IUCAKERBSA-N 0 0 324.265 0.841 50 0 DCAARN CN1C(=O)[C@H]2CN(CCc3ccccc3)CN[C@H]2N(C)C1=O ZINC000019322218 182115261 /nfs/dbraw/zinc/11/52/61/182115261.db2.gz ZBNKICCIUZBYMP-KBPBESRZSA-N 0 0 302.378 0.558 50 0 DCAARN Cc1cncc(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)c1 ZINC000019608673 182133620 /nfs/dbraw/zinc/13/36/20/182133620.db2.gz WIDVHORDFSDMGU-UHFFFAOYSA-N 0 0 313.361 0.446 50 0 DCAARN O=C(CCN1CCCO1)N1CCNC(=O)[C@@H]1c1cccc(F)c1 ZINC000019635263 182134025 /nfs/dbraw/zinc/13/40/25/182134025.db2.gz ZUMBLEPOUPSCKP-HNNXBMFYSA-N 0 0 321.352 0.853 50 0 DCAARN CN1C(=O)C[C@@H](N2CCN(C(=O)c3ccccc3)CC2)C1=O ZINC000019782443 182148594 /nfs/dbraw/zinc/14/85/94/182148594.db2.gz HKAMRVFRGGSXLI-CYBMUJFWSA-N 0 0 301.346 0.202 50 0 DCAARN CCOc1ccc(N2C(=O)C[C@@H](NCC(=O)OC)C2=O)cc1 ZINC000019856013 182157566 /nfs/dbraw/zinc/15/75/66/182157566.db2.gz GUKWKFGUBWNPRM-GFCCVEGCSA-N 0 0 306.318 0.480 50 0 DCAARN CCCN1CNc2c(c(=O)[nH]c(=O)n2Cc2cccnc2)C1 ZINC000019939601 182167805 /nfs/dbraw/zinc/16/78/05/182167805.db2.gz DWTIAEKDVLWRKW-UHFFFAOYSA-N 0 0 301.350 0.575 50 0 DCAARN CN(C)c1cnn(CC(=O)NCCc2nccs2)c(=O)c1 ZINC000019940008 182168095 /nfs/dbraw/zinc/16/80/95/182168095.db2.gz XSDSNDJFIXWXBZ-UHFFFAOYSA-N 0 0 307.379 0.125 50 0 DCAARN O=C(CCN1CCOCC1)NC[C@H]1COc2ccccc2O1 ZINC000020033386 182182154 /nfs/dbraw/zinc/18/21/54/182182154.db2.gz QYWMZEWUJPUDIM-ZDUSSCGKSA-N 0 0 306.362 0.665 50 0 DCAARN CCOC(=O)N1CCC(NC(=O)c2cnc(NC)nc2)CC1 ZINC000097674422 193745526 /nfs/dbraw/zinc/74/55/26/193745526.db2.gz NJXZRNIOQXHFMT-UHFFFAOYSA-N 0 0 307.354 0.869 50 0 DCAARN C[C@]1(O)CCN(C(=O)c2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000097675441 193745578 /nfs/dbraw/zinc/74/55/78/193745578.db2.gz OIYKXZZZGHSPNU-RDJZCZTQSA-N 0 0 320.389 0.481 50 0 DCAARN CSCC[C@@H]1NC(=O)N(CC(=O)N[C@@H](C)C(C)C)C1=O ZINC000020823631 182248239 /nfs/dbraw/zinc/24/82/39/182248239.db2.gz MGBWCHCVSRQOHR-UWVGGRQHSA-N 0 0 301.412 0.821 50 0 DCAARN NS(=O)(=O)c1ccc(CCNC(=O)c2csnn2)cc1 ZINC000020894191 182252388 /nfs/dbraw/zinc/25/23/88/182252388.db2.gz LZHDVISHSGSSFI-UHFFFAOYSA-N 0 0 312.376 0.158 50 0 DCAARN COCc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000021473796 182274449 /nfs/dbraw/zinc/27/44/49/182274449.db2.gz PLDYQGDASWSIST-UHFFFAOYSA-N 0 0 317.345 0.647 50 0 DCAARN O=C(c1ccc(=O)[nH]n1)N1CCN(c2ccccc2O)CC1 ZINC000021873569 182295523 /nfs/dbraw/zinc/29/55/23/182295523.db2.gz WZMHCKHWQODOKK-UHFFFAOYSA-N 0 0 300.318 0.850 50 0 DCAARN O=C([O-])[C@H]1CC2(C[NH2+]1)CCN(c1ncnc3[nH]ccc31)CC2 ZINC000072440079 284450159 /nfs/dbraw/zinc/45/01/59/284450159.db2.gz GHYXCGTXXSOWMI-LLVKDONJSA-N 0 0 301.350 0.991 50 0 DCAARN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@@H]1CCCO1 ZINC000021898820 182297490 /nfs/dbraw/zinc/29/74/90/182297490.db2.gz TYXSULCMASYGJP-NSHDSACASA-N 0 0 317.345 0.375 50 0 DCAARN O=c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)o2)n[nH]1 ZINC000021727926 182287363 /nfs/dbraw/zinc/28/73/63/182287363.db2.gz KQHVBRHQZHOVPK-UHFFFAOYSA-N 0 0 311.319 0.051 50 0 DCAARN CC(C)(C)NC(=O)CN1CCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000021927391 182298886 /nfs/dbraw/zinc/29/88/86/182298886.db2.gz IHFPCACORMXGNU-UHFFFAOYSA-N 0 0 320.393 0.047 50 0 DCAARN O=C(c1cnccn1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000022476444 182322912 /nfs/dbraw/zinc/32/29/12/182322912.db2.gz BTSXRTZGRGJKEB-UHFFFAOYSA-N 0 0 303.366 0.840 50 0 DCAARN Cn1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000022475710 182323129 /nfs/dbraw/zinc/32/31/29/182323129.db2.gz LBGFQGOZXFQXDP-UHFFFAOYSA-N 0 0 308.363 0.639 50 0 DCAARN Cc1cccc(C)c1NC(=O)CN1CCN(CC(N)=O)CC1 ZINC000022822059 182335566 /nfs/dbraw/zinc/33/55/66/182335566.db2.gz ZCXAGDJHYSZPGM-UHFFFAOYSA-N 0 0 304.394 0.345 50 0 DCAARN O=C(CNc1ccc(F)c(F)c1F)N[C@H]1CCS(=O)(=O)C1 ZINC000022907377 182339769 /nfs/dbraw/zinc/33/97/69/182339769.db2.gz VCCZTJBYCXDOCY-ZETCQYMHSA-N 0 0 322.308 0.819 50 0 DCAARN COC(=O)CCNC(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000023172592 182352281 /nfs/dbraw/zinc/35/22/81/182352281.db2.gz YNMGIRRBBUQNPQ-UHFFFAOYSA-N 0 0 317.345 0.925 50 0 biogenic DCAARN Cc1ccc(NC(=O)CN2CCN([C@H](C)C(N)=O)CC2)cc1 ZINC000023249010 182354780 /nfs/dbraw/zinc/35/47/80/182354780.db2.gz ALACSWXQSMHLEM-CYBMUJFWSA-N 0 0 304.394 0.425 50 0 DCAARN O=C(c1ccncc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000023315215 182356272 /nfs/dbraw/zinc/35/62/72/182356272.db2.gz URBZKZRVADNNBR-AWEZNQCLSA-N 0 0 303.362 0.793 50 0 DCAARN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCO[C@H](C)C1 ZINC000024113444 182375413 /nfs/dbraw/zinc/37/54/13/182375413.db2.gz FNTAFAAVKJGXIU-ZJUUUORDSA-N 0 0 304.350 0.904 50 0 DCAARN Cn1cc([C@]2(C)CN(CC(=O)NCc3ccco3)CCO2)cn1 ZINC000098020324 193774590 /nfs/dbraw/zinc/77/45/90/193774590.db2.gz HTYSHXZIAUEILU-INIZCTEOSA-N 0 0 318.377 0.877 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)Cn1nnc2ccccc2c1=O ZINC000024807199 182391765 /nfs/dbraw/zinc/39/17/65/182391765.db2.gz VFKFFLGUZWMZKK-NSHDSACASA-N 0 0 312.333 0.193 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1Cc1nnsc1Cl ZINC000024807309 182391798 /nfs/dbraw/zinc/39/17/98/182391798.db2.gz CQYAWFHLJPALBK-SSDOTTSWSA-N 0 0 304.759 0.055 50 0 DCAARN Cn1cnnc1C1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 ZINC000024692455 182387706 /nfs/dbraw/zinc/38/77/06/182387706.db2.gz BCCSFZSJBYHJMX-LBPRGKRZSA-N 0 0 320.397 0.312 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)CCc1ccsc1 ZINC000025023006 182399832 /nfs/dbraw/zinc/39/98/32/182399832.db2.gz WCTZMABWFYIFNS-NSHDSACASA-N 0 0 310.375 0.571 50 0 DCAARN O=C(CCn1cncn1)N1CCN(C(=O)c2ccoc2)CC1 ZINC000025238987 182405138 /nfs/dbraw/zinc/40/51/38/182405138.db2.gz CDVPKVQJWKOFJV-UHFFFAOYSA-N 0 0 303.322 0.246 50 0 DCAARN C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)C(=O)N1CCOCC1 ZINC000025672655 182419465 /nfs/dbraw/zinc/41/94/65/182419465.db2.gz YMTCPPGIBVDFIQ-SNVBAGLBSA-N 0 0 305.334 0.677 50 0 DCAARN COc1cc(C(=O)NCCNC(=O)C2CC2)cc(OC)c1OC ZINC000025695006 182420293 /nfs/dbraw/zinc/42/02/93/182420293.db2.gz VYUPLWVBGYSASD-UHFFFAOYSA-N 0 0 322.361 0.968 50 0 DCAARN CCn1nc(C(C)C)cc1C(=O)NCCNS(=O)(=O)CC ZINC000031218794 182608654 /nfs/dbraw/zinc/60/86/54/182608654.db2.gz AQMFSVIGPFVFMN-UHFFFAOYSA-N 0 0 316.427 0.696 50 0 DCAARN COC(=O)c1ccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)cc1 ZINC000100560671 193801542 /nfs/dbraw/zinc/80/15/42/193801542.db2.gz ARNPJUNLOPZOPW-ZDUSSCGKSA-N 0 0 318.329 0.437 50 0 DCAARN CNC(=O)[C@H](C)OC(=O)c1sccc1NS(C)(=O)=O ZINC000040138916 183039354 /nfs/dbraw/zinc/03/93/54/183039354.db2.gz YHNWCXLOHMIASP-LURJTMIESA-N 0 0 306.365 0.411 50 0 DCAARN O[C@H](COC[C@H]1CCCO1)CN1CCN(c2ncccn2)CC1 ZINC000040459276 183069914 /nfs/dbraw/zinc/06/99/14/183069914.db2.gz CUQYVDZAWARQTN-LSDHHAIUSA-N 0 0 322.409 0.155 50 0 DCAARN CCOc1ccc(OC[C@@H](O)CN2C(=O)CN(C)C2=O)cc1 ZINC000040465551 183072432 /nfs/dbraw/zinc/07/24/32/183072432.db2.gz OUCMBQAVYKRIPP-NSHDSACASA-N 0 0 308.334 0.719 50 0 DCAARN CNC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000040476271 183074777 /nfs/dbraw/zinc/07/47/77/183074777.db2.gz POAQKGHQSZYCTL-KPKJPENVSA-N 0 0 309.391 0.944 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC000040476666 183074917 /nfs/dbraw/zinc/07/49/17/183074917.db2.gz CKBOMYFWSBOYAC-UHFFFAOYSA-N 0 0 319.386 0.952 50 0 DCAARN O=S(=O)(NCCc1ccc2c(c1)OCO2)N1CCOCC1 ZINC000040488238 183078519 /nfs/dbraw/zinc/07/85/19/183078519.db2.gz IZXWCIBRVIBUBV-UHFFFAOYSA-N 0 0 314.363 0.124 50 0 DCAARN CN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C1CCCC1 ZINC000040489776 183079086 /nfs/dbraw/zinc/07/90/86/183079086.db2.gz ONKOKAWNVAXRLW-UHFFFAOYSA-N 0 0 316.361 0.647 50 0 DCAARN NC(=O)C1CCN(C(=O)CS(=O)(=O)Cc2ccccc2)CC1 ZINC000040496818 183081213 /nfs/dbraw/zinc/08/12/13/183081213.db2.gz ZZOCBOPQCQEPIU-UHFFFAOYSA-N 0 0 324.402 0.325 50 0 DCAARN Cn1ccc(C(=O)N2CCN(Cc3ccco3)CC2)cc1=O ZINC000040496711 183081265 /nfs/dbraw/zinc/08/12/65/183081265.db2.gz NMYPZSFEMUZRGX-UHFFFAOYSA-N 0 0 301.346 0.936 50 0 DCAARN CC(=O)NCCCNC(=O)NC[C@H]1COc2ccccc2O1 ZINC000040498433 183082517 /nfs/dbraw/zinc/08/25/17/183082517.db2.gz QVJZJNRVEOQGQU-LBPRGKRZSA-N 0 0 307.350 0.652 50 0 DCAARN Cc1cc(C)n2ncc(C(=O)N3CCC(C(N)=O)CC3)c2n1 ZINC000040498421 183082523 /nfs/dbraw/zinc/08/25/23/183082523.db2.gz XHBHNNIYLFDWAE-UHFFFAOYSA-N 0 0 301.350 0.684 50 0 DCAARN C[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1cc(F)ccc1F ZINC000040514096 183088559 /nfs/dbraw/zinc/08/85/59/183088559.db2.gz JOILSMNDEIYDEX-SECBINFHSA-N 0 0 323.299 0.703 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)COCC(F)(F)F)C1 ZINC000040534094 183095125 /nfs/dbraw/zinc/09/51/25/183095125.db2.gz QSHIWWFBNJEAFD-QMMMGPOBSA-N 0 0 318.317 0.106 50 0 DCAARN COc1ccc(CNC(=O)[C@H](C)OC(=O)[C@H](C)NC(C)=O)cc1 ZINC000040456751 183068969 /nfs/dbraw/zinc/06/89/69/183068969.db2.gz BDPSMDWITVPGRC-QWRGUYRKSA-N 0 0 322.361 0.768 50 0 DCAARN O=C(NCCOc1ccc2c(c1)OCO2)c1ccc(=O)[nH]c1 ZINC000040541373 183098020 /nfs/dbraw/zinc/09/80/20/183098020.db2.gz GJPYPDJBFDACHH-UHFFFAOYSA-N 0 0 302.286 0.912 50 0 DCAARN Cc1cccc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)n1 ZINC000040542833 183098417 /nfs/dbraw/zinc/09/84/17/183098417.db2.gz GPNXUMCENUKPNM-GFCCVEGCSA-N 0 0 311.407 0.791 50 0 DCAARN CCCc1noc([C@H]2CCCCN2C(=O)Cn2cnnn2)n1 ZINC000040714892 183122676 /nfs/dbraw/zinc/12/26/76/183122676.db2.gz RFCUKNDYJZXVAK-SNVBAGLBSA-N 0 0 305.342 0.762 50 0 DCAARN COc1ccc(CC(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000041248153 183181353 /nfs/dbraw/zinc/18/13/53/183181353.db2.gz MHANSCCGRIDSSL-LBPRGKRZSA-N 0 0 306.362 0.601 50 0 DCAARN CC(=O)N[C@H](CC(=O)N1CC[C@H](C(N)=O)C1)c1cccs1 ZINC000041130218 183170253 /nfs/dbraw/zinc/17/02/53/183170253.db2.gz UGXBXMNELFDFTI-WDEREUQCSA-N 0 0 309.391 0.649 50 0 DCAARN COc1ccc(OC)c(CCC(=O)N2CC[C@H](C(N)=O)C2)c1 ZINC000041130239 183170355 /nfs/dbraw/zinc/17/03/55/183170355.db2.gz UYTXEXJHMQLWTJ-LBPRGKRZSA-N 0 0 306.362 0.970 50 0 DCAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCC2CC2)C1=O ZINC000042082769 183232095 /nfs/dbraw/zinc/23/20/95/183232095.db2.gz SWLNDXBNHNUSBC-MRXNPFEDSA-N 0 0 301.346 0.980 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)c1cnc2n(c1=O)CCS2 ZINC000042501030 183277050 /nfs/dbraw/zinc/27/70/50/183277050.db2.gz WHXPGNAZFQZCHY-SECBINFHSA-N 0 0 305.363 0.364 50 0 DCAARN CN(CCS(=O)(=O)CCC(N)=O)[C@@H]1CCc2ccccc21 ZINC000042626992 183291861 /nfs/dbraw/zinc/29/18/61/183291861.db2.gz ZWJWLWBNIHCGQE-CQSZACIVSA-N 0 0 310.419 0.896 50 0 DCAARN NC(=O)C(NC(=O)c1cc(-c2ccccc2)cs1)C(N)=O ZINC000042788950 183309452 /nfs/dbraw/zinc/30/94/52/183309452.db2.gz OEZQVYCSWNITPO-UHFFFAOYSA-N 0 0 303.343 0.484 50 0 DCAARN COc1cccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1OC ZINC000044456474 183411006 /nfs/dbraw/zinc/41/10/06/183411006.db2.gz DXQQHULJKCQPAR-JTQLQIEISA-N 0 0 313.375 0.868 50 0 DCAARN CCOC(=O)C[C@H](NC(=O)c1ccc(N)cc1)C(=O)OCC ZINC000044125291 183395655 /nfs/dbraw/zinc/39/56/55/183395655.db2.gz NFYBFXGDBKRYRE-LBPRGKRZSA-N 0 0 308.334 0.884 50 0 DCAARN C[C@@H]1CCCCN1S(=O)(=O)NCCCN1CCCC1=O ZINC000044910701 183455447 /nfs/dbraw/zinc/45/54/47/183455447.db2.gz WEPZPVCVLPQGKG-GFCCVEGCSA-N 0 0 303.428 0.708 50 0 DCAARN CN(C(=O)COc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000044869159 183444516 /nfs/dbraw/zinc/44/45/16/183444516.db2.gz XWFWPWWFLJNIJO-JTQLQIEISA-N 0 0 319.329 0.989 50 0 DCAARN C[C@H](CNC(=O)CN1CCSC1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000106056175 194183082 /nfs/dbraw/zinc/18/30/82/194183082.db2.gz XESXOAPBEKMULF-UTUOFQBUSA-N 0 0 315.439 0.769 50 0 DCAARN O=S(=O)(NCCCOC[C@H]1CCCO1)N1CCCCC1 ZINC000048234334 183629948 /nfs/dbraw/zinc/62/99/48/183629948.db2.gz AFDPTYIPVAIBHY-CYBMUJFWSA-N 0 0 306.428 0.892 50 0 DCAARN CC(=O)N[C@@H](C(=O)N1CCN(Cc2cc(C)no2)CC1)C(C)C ZINC000048263484 183634742 /nfs/dbraw/zinc/63/47/42/183634742.db2.gz KKKQAGZKYPIGCP-OAHLLOKOSA-N 0 0 322.409 0.788 50 0 DCAARN Nc1nc(Cl)cc(NCc2cccc(S(N)(=O)=O)c2)n1 ZINC000048893687 183694563 /nfs/dbraw/zinc/69/45/63/183694563.db2.gz ZPGPEAYMZAYCPJ-UHFFFAOYSA-N 0 0 313.770 0.972 50 0 DCAARN CN(CC(N)=O)CC(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000052830974 183875755 /nfs/dbraw/zinc/87/57/55/183875755.db2.gz PZPPAOLOHZKJLK-OAHLLOKOSA-N 0 0 315.377 0.043 50 0 DCAARN Cc1noc([C@H](C)N2CCN(C(=O)c3cnc(C)cn3)CC2)n1 ZINC000110893096 194367049 /nfs/dbraw/zinc/36/70/49/194367049.db2.gz BNADLWYHWNICQK-NSHDSACASA-N 0 0 316.365 0.995 50 0 DCAARN CC(=O)N1CCC[C@H](C(=O)N[C@H](C(N)=O)c2ccccc2)C1 ZINC000055209602 183971030 /nfs/dbraw/zinc/97/10/30/183971030.db2.gz ARGLMOCWHTUFEO-KBPBESRZSA-N 0 0 303.362 0.588 50 0 DCAARN Cc1ccc(C)c(O[C@@H](C)C(=O)NCCNS(C)(=O)=O)c1 ZINC000055211464 183971525 /nfs/dbraw/zinc/97/15/25/183971525.db2.gz UYENOCVZFILWNV-LBPRGKRZSA-N 0 0 314.407 0.736 50 0 DCAARN CCN1c2ccc(S(=O)(=O)NCCO)cc2C(C)(C)C1=O ZINC000057280307 184031464 /nfs/dbraw/zinc/03/14/64/184031464.db2.gz PYYZVESOXDROQM-UHFFFAOYSA-N 0 0 312.391 0.601 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000058185180 184086140 /nfs/dbraw/zinc/08/61/40/184086140.db2.gz VHYGIVBFQRVLFJ-UHFFFAOYSA-N 0 0 312.391 0.298 50 0 DCAARN COc1ccc(C(=O)NCCN2CCCS2(=O)=O)c(O)c1 ZINC000058216621 184089304 /nfs/dbraw/zinc/08/93/04/184089304.db2.gz VNFZAOKQJYXKME-UHFFFAOYSA-N 0 0 314.363 0.166 50 0 DCAARN NC(=O)NC(=O)CCN1c2cccc3cccc(c23)S1(=O)=O ZINC000058378091 184110037 /nfs/dbraw/zinc/11/00/37/184110037.db2.gz STEDKYRQVTVHFJ-UHFFFAOYSA-N 0 0 319.342 0.934 50 0 DCAARN COc1ccc(CC(=O)N[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000058266169 184096471 /nfs/dbraw/zinc/09/64/71/184096471.db2.gz MHANSCCGRIDSSL-GFCCVEGCSA-N 0 0 306.362 0.601 50 0 DCAARN CCN(CC)S(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C ZINC000058268653 184098058 /nfs/dbraw/zinc/09/80/58/184098058.db2.gz MEHUNOUWGACVQE-VXGBXAGGSA-N 0 0 305.444 0.952 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1ccc(C)cc1C ZINC000058405993 184113838 /nfs/dbraw/zinc/11/38/38/184113838.db2.gz NHNXGBDRDUNKLU-UHFFFAOYSA-N 0 0 300.380 0.426 50 0 DCAARN NC(=O)c1ccc(C(=O)NC[C@@H](O)c2ccc(F)c(F)c2)nc1 ZINC000058432579 184117732 /nfs/dbraw/zinc/11/77/32/184117732.db2.gz RWSOAFKJBYRLNF-CYBMUJFWSA-N 0 0 321.283 0.922 50 0 DCAARN CCOC(=O)CCC(=O)N1CCN(CCn2cccn2)CC1 ZINC000062021963 184201707 /nfs/dbraw/zinc/20/17/07/184201707.db2.gz LOMNOIBHFNOWLX-UHFFFAOYSA-N 0 0 308.382 0.371 50 0 DCAARN O=S(=O)(c1cccnc1)N1CCN(CCn2cccn2)CC1 ZINC000064141089 184292638 /nfs/dbraw/zinc/29/26/38/184292638.db2.gz DFUSBPIOQMSAFW-UHFFFAOYSA-N 0 0 321.406 0.285 50 0 DCAARN Cn1c(=O)c2nscc2n(CC(=O)Nc2ccccc2)c1=O ZINC000065185033 184314051 /nfs/dbraw/zinc/31/40/51/184314051.db2.gz SQNUYBCGHQTVLG-UHFFFAOYSA-N 0 0 316.342 0.795 50 0 DCAARN CCCC(=O)C(=O)N1CCn2nc(C(=O)NC3CC3)cc2C1 ZINC000065384667 184333334 /nfs/dbraw/zinc/33/33/34/184333334.db2.gz PZLNKHVJLPDSKH-UHFFFAOYSA-N 0 0 304.350 0.487 50 0 DCAARN O=C([C@@H]1CCCN(c2nnc3ccccn32)C1)N1CCOCC1 ZINC000065312226 184324609 /nfs/dbraw/zinc/32/46/09/184324609.db2.gz OSXRAHYSEPNVOT-CYBMUJFWSA-N 0 0 315.377 0.805 50 0 DCAARN Cc1cc(C(=O)NCCN2C(=O)c3ccccc3C2=O)n(C)n1 ZINC000065410402 184340154 /nfs/dbraw/zinc/34/01/54/184340154.db2.gz VWAREUMJDWOLIA-UHFFFAOYSA-N 0 0 312.329 0.755 50 0 DCAARN COC[C@@H](O)CN(C)C(=O)NCc1nncn1-c1ccccc1 ZINC000065417373 184341487 /nfs/dbraw/zinc/34/14/87/184341487.db2.gz QPBHMDGZDOIXFF-ZDUSSCGKSA-N 0 0 319.365 0.416 50 0 DCAARN COC[C@H](C)NC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000065423322 184341912 /nfs/dbraw/zinc/34/19/12/184341912.db2.gz SNPPLBMADLWSOD-JTQLQIEISA-N 0 0 300.380 0.924 50 0 DCAARN CC(C)c1nc(CN2C(=O)CNC2=O)n(-c2ccccn2)n1 ZINC000065429030 184343335 /nfs/dbraw/zinc/34/33/35/184343335.db2.gz VDGJYAGGWZUQCT-UHFFFAOYSA-N 0 0 300.322 0.838 50 0 DCAARN COC[C@H](O)CN(C)C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000065427626 184343414 /nfs/dbraw/zinc/34/34/14/184343414.db2.gz IIDFBRSLISQVIT-CQSZACIVSA-N 0 0 322.409 0.831 50 0 DCAARN COC[C@@H](O)CN(C)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000065440632 184345741 /nfs/dbraw/zinc/34/57/41/184345741.db2.gz IIWNIADVUXQMPL-AWEZNQCLSA-N 0 0 322.409 0.831 50 0 DCAARN CC(C)c1nn(C)c(N2CCOCC2)c1CNCC(=O)N(C)C ZINC000065476878 184351904 /nfs/dbraw/zinc/35/19/04/184351904.db2.gz UFLIMPBANWFCAI-UHFFFAOYSA-N 0 0 323.441 0.558 50 0 DCAARN CC(C)N(CC(N)=O)Cc1nc2cc(F)ccc2n(C)c1=O ZINC000065479580 184352452 /nfs/dbraw/zinc/35/24/52/184352452.db2.gz FUHOHORKEZLTIT-UHFFFAOYSA-N 0 0 306.341 0.768 50 0 DCAARN NC(=O)[C@@H](NC(=O)Cn1c2ccccc2[nH]c1=O)c1ccccc1 ZINC000065490209 184353556 /nfs/dbraw/zinc/35/35/56/184353556.db2.gz CPLSPABECMUKBM-HNNXBMFYSA-N 0 0 324.340 0.672 50 0 DCAARN COC(=O)c1cc2n(n1)CCN(C(=O)c1ccc(C)[nH]c1=O)C2 ZINC000065404854 184337985 /nfs/dbraw/zinc/33/79/85/184337985.db2.gz WRDQFWSUBJLSMZ-UHFFFAOYSA-N 0 0 316.317 0.322 50 0 DCAARN NC(=O)CNC(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000065513327 184357929 /nfs/dbraw/zinc/35/79/29/184357929.db2.gz BQLNHMHPOLUBDP-UHFFFAOYSA-N 0 0 302.309 0.715 50 0 DCAARN CC[C@@H](C)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000069420580 184514018 /nfs/dbraw/zinc/51/40/18/184514018.db2.gz WBNJPFHSLHRLAV-CYBMUJFWSA-N 0 0 319.409 0.678 50 0 DCAARN C[C@@H]1C[C@H](O)CN1CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000340903761 253320873 /nfs/dbraw/zinc/32/08/73/253320873.db2.gz IWIQRHMEDFHBAY-RISCZKNCSA-N 0 0 305.378 0.782 50 0 DCAARN Cc1cc(C)nc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000298285548 291875465 /nfs/dbraw/zinc/87/54/65/291875465.db2.gz NNBGGKFXNBURIQ-ZDUSSCGKSA-N 0 0 310.423 0.403 50 0 DCAARN Cc1ccc(N2C[C@H](C(=O)N3CCNC(=O)C3)CC2=O)c(F)c1 ZINC000046317315 256535087 /nfs/dbraw/zinc/53/50/87/256535087.db2.gz QKMHFTBVQJNTRF-LLVKDONJSA-N 0 0 319.336 0.445 50 0 DCAARN CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NC)nc1)C(C)(C)O ZINC000358623332 257235721 /nfs/dbraw/zinc/23/57/21/257235721.db2.gz DIAALYFZHPGPQI-SNVBAGLBSA-N 0 0 315.395 0.269 50 0 DCAARN O=C(NCc1nnc(-c2ccccc2)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000426734571 257243443 /nfs/dbraw/zinc/24/34/43/257243443.db2.gz WNRFVONWBBIZGG-NSHDSACASA-N 0 0 320.374 0.523 50 0 DCAARN CNS(=O)(=O)CCNC(=O)c1c[nH]nc1-c1cccs1 ZINC000426730517 257243694 /nfs/dbraw/zinc/24/36/94/257243694.db2.gz UULTVNJAULSYFZ-UHFFFAOYSA-N 0 0 314.392 0.417 50 0 DCAARN COCCN1CCN(C(=O)NCCn2nc(C)cc2C)CC1 ZINC000426589939 257245851 /nfs/dbraw/zinc/24/58/51/257245851.db2.gz GIKRWTXUNSESAA-UHFFFAOYSA-N 0 0 309.414 0.474 50 0 DCAARN O=C(NCC[C@@H]1COc2ccccc2O1)N1CCNC(=O)CC1 ZINC000426563553 257246103 /nfs/dbraw/zinc/24/61/03/257246103.db2.gz VYBXVIZXAXWQBT-GFCCVEGCSA-N 0 0 319.361 0.748 50 0 DCAARN Cc1nc2ccccc2n1CC(=O)N1C[C@@H]2[NH2+]CCO[C@H]2C1 ZINC000426589886 257246301 /nfs/dbraw/zinc/24/63/01/257246301.db2.gz ARFLPGAYQULHHS-ZFWWWQNUSA-N 0 0 300.362 0.544 50 0 DCAARN CCN(Cc1nc(COC)no1)C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000426549912 257247016 /nfs/dbraw/zinc/24/70/16/257247016.db2.gz KPTZXBBOYZWNBF-GFCCVEGCSA-N 0 0 323.397 0.842 50 0 DCAARN Cc1cc(=O)c(C(=O)N2C[C@H]3CCC[C@@H](C2)N(C)C3=O)cn1C ZINC000426510376 257247386 /nfs/dbraw/zinc/24/73/86/257247386.db2.gz QRSGHHNKUYLEHZ-OLZOCXBDSA-N 0 0 317.389 0.777 50 0 DCAARN COc1cc(C(=O)[O-])cc(C(=O)NC[C@@H]2COCC[N@H+](C)C2)c1 ZINC000426523739 257247632 /nfs/dbraw/zinc/24/76/32/257247632.db2.gz VYTUZWMULCURNL-NSHDSACASA-N 0 0 322.361 0.701 50 0 DCAARN O=C(N[C@H]1CCCN(C(=O)C2CC2)C1)c1cccn2cnnc12 ZINC000426435384 257250053 /nfs/dbraw/zinc/25/00/53/257250053.db2.gz JPVXUMMGYPIXAQ-LBPRGKRZSA-N 0 0 313.361 0.860 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000071821298 184853373 /nfs/dbraw/zinc/85/33/73/184853373.db2.gz RCARWTYPOHKXJO-CHWSQXEVSA-N 0 0 319.336 0.957 50 0 DCAARN COc1ccc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)cn1 ZINC000071830365 184859132 /nfs/dbraw/zinc/85/91/32/184859132.db2.gz YTNYZJXCVZLBTH-LBPRGKRZSA-N 0 0 304.350 0.720 50 0 DCAARN Cc1nc(CN2CCN(c3ccc4nnc(C)n4n3)CC2)no1 ZINC000071863785 184874028 /nfs/dbraw/zinc/87/40/28/184874028.db2.gz NXEXXCJGBKDTSZ-UHFFFAOYSA-N 0 0 314.353 0.446 50 0 DCAARN COC(=O)CC(C)(C)C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000408516088 533297542 /nfs/dbraw/zinc/29/75/42/533297542.db2.gz MKHQLBOSLNXPOC-SNVBAGLBSA-N 0 0 310.354 0.602 50 0 DCAARN Cc1nn(C)c(CN2C[C@H](F)C[C@H]2C(N)=O)c1Br ZINC000284588469 131095398 /nfs/dbraw/zinc/09/53/98/131095398.db2.gz IVDKQFWNWUSHBI-SFYZADRCSA-N 0 0 319.178 0.889 50 0 DCAARN CC(C)(C)n1ncn(CCCN2C(=O)NC(C)(C)C2=O)c1=O ZINC000120322214 132143327 /nfs/dbraw/zinc/14/33/27/132143327.db2.gz IYMDKIPARMBSFN-UHFFFAOYSA-N 0 0 309.370 0.520 50 0 DCAARN O=C(Nc1ccccn1)[C@H]1CCCN(c2ccc3nnnn3n2)C1 ZINC000047254152 134748593 /nfs/dbraw/zinc/74/85/93/134748593.db2.gz XGGMZYHJPQEMPN-NSHDSACASA-N 0 0 324.348 0.769 50 0 DCAARN CCCC[C@]1(C)NC(=O)N(CC(=O)NC(=O)NC(C)C)C1=O ZINC000008328233 395684370 /nfs/dbraw/zinc/68/43/70/395684370.db2.gz MWCPOATVOBRLJX-AWEZNQCLSA-N 0 0 312.370 0.721 50 0 DCAARN Cc1ccc(N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000008728641 395684864 /nfs/dbraw/zinc/68/48/64/395684864.db2.gz PTGFXDMOPALANX-JTQLQIEISA-N 0 0 316.361 0.658 50 0 DCAARN CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1 ZINC000008844795 395685077 /nfs/dbraw/zinc/68/50/77/395685077.db2.gz YMWNBFPOURINES-UHFFFAOYSA-N 0 0 309.351 0.215 50 0 DCAARN COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)NC[C@@H](C)O ZINC000009304913 395685281 /nfs/dbraw/zinc/68/52/81/395685281.db2.gz NOYAYOFJZJCPCK-ZCFIWIBFSA-N 0 0 314.363 0.587 50 0 DCAARN C[C@@H]1CCCN(C(=O)COC(=O)CNC(=O)c2ccco2)C1 ZINC000009514662 395685417 /nfs/dbraw/zinc/68/54/17/395685417.db2.gz CGKGHEILNTXVCF-LLVKDONJSA-N 0 0 308.334 0.811 50 0 DCAARN CCNC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O ZINC000009613626 395685437 /nfs/dbraw/zinc/68/54/37/395685437.db2.gz MWFNGYVREANZKL-ZDUSSCGKSA-N 0 0 314.345 0.767 50 0 DCAARN Cn1c2cccnc2c(=O)n(Cc2ccc3c(c2)OCO3)c1=O ZINC000009825480 395685549 /nfs/dbraw/zinc/68/55/49/395685549.db2.gz FDBGFPLKETXPRJ-UHFFFAOYSA-N 0 0 311.297 0.872 50 0 DCAARN COC(=O)CNC(=O)CCC(=O)N1CCc2ccccc2C1 ZINC000009805657 395685628 /nfs/dbraw/zinc/68/56/28/395685628.db2.gz VEDCFSSJXPHBBZ-UHFFFAOYSA-N 0 0 304.346 0.641 50 0 DCAARN CC(=O)c1cc(C(=O)O[C@H](C)C(=O)N2CCNC2=O)n(C)c1 ZINC000009750396 395685673 /nfs/dbraw/zinc/68/56/73/395685673.db2.gz CEGVSTZGKZQFAZ-SECBINFHSA-N 0 0 307.306 0.325 50 0 DCAARN COCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000010324020 395686085 /nfs/dbraw/zinc/68/60/85/395686085.db2.gz OJKCVRSGPFRGNL-SNVBAGLBSA-N 0 0 312.391 0.773 50 0 DCAARN Cn1ncc2c1ncn(CC(=O)NCc1ccccc1F)c2=O ZINC000011403134 395686472 /nfs/dbraw/zinc/68/64/72/395686472.db2.gz SAGNBQOIURKNMS-UHFFFAOYSA-N 0 0 315.308 0.586 50 0 DCAARN CCNC(=O)NC(=O)[C@H](C)Sc1ncnc2c1cnn2C ZINC000011680503 395686768 /nfs/dbraw/zinc/68/67/68/395686768.db2.gz SXWQEPNVLLOTNC-ZETCQYMHSA-N 0 0 308.367 0.690 50 0 DCAARN COc1ccc(S(=O)(=O)NCCn2ncccc2=O)cc1 ZINC000011856347 395687016 /nfs/dbraw/zinc/68/70/16/395687016.db2.gz DKNKHVWWYZCWMB-UHFFFAOYSA-N 0 0 309.347 0.230 50 0 DCAARN COCC(=O)Nc1cc(C2CC2)nn1-c1nc(C)cc(=O)[nH]1 ZINC000012123057 395687172 /nfs/dbraw/zinc/68/71/72/395687172.db2.gz DEBSJFLUTZMVRD-UHFFFAOYSA-N 0 0 303.322 0.726 50 0 DCAARN CCCCCn1c(NCCCO)nc2c1c(=O)[nH]c(=O)n2C ZINC000012377495 395687479 /nfs/dbraw/zinc/68/74/79/395687479.db2.gz JGOVZUJAGKTAHC-UHFFFAOYSA-N 0 0 309.370 0.408 50 0 DCAARN COc1ccc(N2C[C@H](C(=O)Nc3nc[nH]n3)CC2=O)cc1 ZINC000012391058 395687636 /nfs/dbraw/zinc/68/76/36/395687636.db2.gz PJPPVRGBWCTVMG-SECBINFHSA-N 0 0 301.306 0.805 50 0 DCAARN COCCNS(=O)(=O)CCCOc1ccc2c(c1)OCO2 ZINC000012440659 395687656 /nfs/dbraw/zinc/68/76/56/395687656.db2.gz GXBKVJUGZMALLD-UHFFFAOYSA-N 0 0 317.363 0.750 50 0 DCAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@@H]1CCCO1)C2=O ZINC000012568426 395687850 /nfs/dbraw/zinc/68/78/50/395687850.db2.gz VNTAPGFSFTULSC-WQGACYEGSA-N 0 0 323.393 0.782 50 0 DCAARN O=C(c1cccnc1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000012922359 395688158 /nfs/dbraw/zinc/68/81/58/395688158.db2.gz JOAFKAAUEMBALY-UHFFFAOYSA-N 0 0 303.362 0.793 50 0 DCAARN C[C@@H](OC(=O)CCNC(=O)c1ccco1)C(=O)N1CCOCC1 ZINC000012877105 395688199 /nfs/dbraw/zinc/68/81/99/395688199.db2.gz XVVYDZUVZQQXMP-LLVKDONJSA-N 0 0 324.333 0.190 50 0 DCAARN C[C@@H]1CN(C(=O)C[C@@H]2CSc3nccc(=O)n32)C[C@@H](C)O1 ZINC000014030936 395689069 /nfs/dbraw/zinc/68/90/69/395689069.db2.gz CEHKDKGCFYOZBU-GMTAPVOTSA-N 0 0 309.391 0.916 50 0 DCAARN CCNC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000014077079 395689074 /nfs/dbraw/zinc/68/90/74/395689074.db2.gz JTXCBNSJKGMFIE-UHFFFAOYSA-N 0 0 315.370 0.862 50 0 DCAARN Fc1ccccc1CN1CCN(c2ccc3nnnn3n2)CC1 ZINC000014068247 395689091 /nfs/dbraw/zinc/68/90/91/395689091.db2.gz FASHTPCQBOCVPZ-UHFFFAOYSA-N 0 0 313.340 0.981 50 0 DCAARN C[C@@H]1CN(C(C)(C)CNc2ccc3nnnn3n2)C[C@H](C)O1 ZINC000014086328 395689158 /nfs/dbraw/zinc/68/91/58/395689158.db2.gz WOVQAQSJUWZTSD-PHIMTYICSA-N 0 0 305.386 0.819 50 0 DCAARN CC(=O)N1CCN(CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000014166252 395689231 /nfs/dbraw/zinc/68/92/31/395689231.db2.gz DSLBXGUSAATOST-UHFFFAOYSA-N 0 0 324.406 0.340 50 0 DCAARN C[C@@H](OC(=O)c1cc(S(N)(=O)=O)ccc1Cl)C(N)=O ZINC000014244220 395689445 /nfs/dbraw/zinc/68/94/45/395689445.db2.gz WQEJAWWZRKCUCE-RXMQYKEDSA-N 0 0 306.727 0.018 50 0 DCAARN CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000014245902 395689482 /nfs/dbraw/zinc/68/94/82/395689482.db2.gz OPIWGYXYMHCKRI-CYBMUJFWSA-N 0 0 310.375 0.904 50 0 DCAARN CNC(=O)Cc1csc(NC(=O)c2cc(=O)c(OC)c[nH]2)n1 ZINC000016968318 395690715 /nfs/dbraw/zinc/69/07/15/395690715.db2.gz BXHMXFQYXRACIE-UHFFFAOYSA-N 0 0 322.346 0.381 50 0 DCAARN Cc1nc(N2CCN(CCO)CC2)nc2c1C(=O)C[C@@H](C)C2 ZINC000020591376 395691343 /nfs/dbraw/zinc/69/13/43/395691343.db2.gz RYBQITVLNRTVGL-NSHDSACASA-N 0 0 304.394 0.664 50 0 DCAARN O=C1C[C@H](c2ccc(S(=O)(=O)N3CCOCC3)cc2)CN1 ZINC000000116808 395679865 /nfs/dbraw/zinc/67/98/65/395679865.db2.gz RDWNAZQBZJZQKK-LBPRGKRZSA-N 0 0 310.375 0.311 50 0 DCAARN CC(C)OC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000000497238 395680448 /nfs/dbraw/zinc/68/04/48/395680448.db2.gz NFFMDRGUDGEQJR-UHFFFAOYSA-N 0 0 312.351 0.004 50 0 DCAARN CCOC(=O)n1nnc2c(C(=O)N3CCCC3)ncn2c1=S ZINC000001414464 395680749 /nfs/dbraw/zinc/68/07/49/395680749.db2.gz OMWHNMFXOQNYSJ-UHFFFAOYSA-N 0 0 322.350 0.896 50 0 DCAARN Cc1c(CCO)c(=O)n(C)n1S(=O)(=O)c1ccc(C)cc1 ZINC000001393678 395680782 /nfs/dbraw/zinc/68/07/82/395680782.db2.gz DTNAOCPALRLPPP-UHFFFAOYSA-N 0 0 310.375 0.575 50 0 DCAARN CCOCCn1c(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000002425279 395681536 /nfs/dbraw/zinc/68/15/36/395681536.db2.gz MYOMGYBWLLCHFS-UHFFFAOYSA-N 0 0 321.381 0.070 50 0 DCAARN C[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000002502846 395681564 /nfs/dbraw/zinc/68/15/64/395681564.db2.gz ZITRQXTWNABIBL-GXSJLCMTSA-N 0 0 301.339 0.896 50 0 DCAARN CNC(=O)c1nn(C)cc1NC(=O)c1cc(C)n(C(F)F)n1 ZINC000002732839 395681785 /nfs/dbraw/zinc/68/17/85/395681785.db2.gz WVVFFGKRMVPBJB-UHFFFAOYSA-N 0 0 312.280 0.932 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCOCC)C1 ZINC000003008193 395682090 /nfs/dbraw/zinc/68/20/90/395682090.db2.gz FYKCCZZRSLROHY-CYBMUJFWSA-N 0 0 320.455 0.981 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)o1 ZINC000004247066 395682527 /nfs/dbraw/zinc/68/25/27/395682527.db2.gz CWOVUZLMBDMLPE-ZCFIWIBFSA-N 0 0 308.153 0.959 50 0 DCAARN Cc1c(C(=O)[O-])sc2c1c(=O)n(C)c(=O)n2CC[NH+](C)C ZINC000006759175 395683127 /nfs/dbraw/zinc/68/31/27/395683127.db2.gz WIYKHMDOHKVYBO-UHFFFAOYSA-N 0 0 311.363 0.330 50 0 DCAARN O=C(c1nnc(C(=O)N2CCCCC2)nn1)N1CCCCC1 ZINC000006691861 395683146 /nfs/dbraw/zinc/68/31/46/395683146.db2.gz SPPQIFBUEYODHK-UHFFFAOYSA-N 0 0 304.354 0.519 50 0 DCAARN COC(=O)CCCNC(=O)CCS(=O)(=O)c1ccccc1 ZINC000008133607 395684044 /nfs/dbraw/zinc/68/40/44/395684044.db2.gz OEACOTPXAUHURC-UHFFFAOYSA-N 0 0 313.375 0.920 50 0 DCAARN COc1cccc(N2CCN(C(=O)CN3CCCC3=O)CC2)c1 ZINC000008140987 395684089 /nfs/dbraw/zinc/68/40/89/395684089.db2.gz KNQFHUXFJCXLLY-UHFFFAOYSA-N 0 0 317.389 0.966 50 0 DCAARN CCc1nnc(CN2C[C@@H](C(C)C)[C@H](NS(C)(=O)=O)C2)o1 ZINC000085533966 395701493 /nfs/dbraw/zinc/70/14/93/395701493.db2.gz QOYVLTKSMDERNZ-WDEREUQCSA-N 0 0 316.427 0.638 50 0 DCAARN CCN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)Cc1ccco1 ZINC000030274959 395702012 /nfs/dbraw/zinc/70/20/12/395702012.db2.gz IODHJFICUJGFTG-CQSZACIVSA-N 0 0 314.407 0.795 50 0 DCAARN COc1ccc(S(=O)(=O)NCCNC(C)=O)cc1Cl ZINC000030320616 395702476 /nfs/dbraw/zinc/70/24/76/395702476.db2.gz OBSWDCVVPMNOBO-UHFFFAOYSA-N 0 0 306.771 0.763 50 0 DCAARN Cn1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1=O ZINC000030584057 395702812 /nfs/dbraw/zinc/70/28/12/395702812.db2.gz VTPFTAPKHCRQKZ-UHFFFAOYSA-N 0 0 304.375 0.804 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000031217416 395706012 /nfs/dbraw/zinc/70/60/12/395706012.db2.gz MJTBFDNEBJZYJN-UHFFFAOYSA-N 0 0 323.374 0.197 50 0 DCAARN COc1ccc(OC)c([C@H](O)CNC(=O)c2ccc(=O)[nH]n2)c1 ZINC000031342014 395706212 /nfs/dbraw/zinc/70/62/12/395706212.db2.gz SESXPHNFHRAGQW-GFCCVEGCSA-N 0 0 319.317 0.663 50 0 DCAARN Cc1noc(COC(=O)c2cc(S(N)(=O)=O)ccc2C)n1 ZINC000036692000 395723911 /nfs/dbraw/zinc/72/39/11/395723911.db2.gz QKSLIVHKRLWIBM-UHFFFAOYSA-N 0 0 311.319 0.691 50 0 DCAARN CC[C@](C)(CNC(=O)[C@H](NC(C)=O)C(C)C)N1CCOCC1 ZINC000031930656 395708340 /nfs/dbraw/zinc/70/83/40/395708340.db2.gz LDXKMBRTAGNHLZ-GDBMZVCRSA-N 0 0 313.442 0.764 50 0 DCAARN CNC(=O)c1nc(COc2ccc3c(c2)NC(=O)CC3)no1 ZINC000032103703 395709408 /nfs/dbraw/zinc/70/94/08/395709408.db2.gz RCEXRYMUWTUNSK-UHFFFAOYSA-N 0 0 302.290 0.893 50 0 DCAARN CCCNC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000032738228 395712928 /nfs/dbraw/zinc/71/29/28/395712928.db2.gz BBBMNYFNMLOOOJ-SECBINFHSA-N 0 0 317.345 0.557 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000032770968 395713147 /nfs/dbraw/zinc/71/31/47/395713147.db2.gz DEXYAXIBIABYDR-UHFFFAOYSA-N 0 0 300.355 0.980 50 0 DCAARN CS(=O)(=O)N1CCCN(C(=O)Cc2ccccc2F)CC1 ZINC000032796895 395713687 /nfs/dbraw/zinc/71/36/87/395713687.db2.gz YTTHASKGKZIDLQ-UHFFFAOYSA-N 0 0 314.382 0.862 50 0 DCAARN CN(C)C(=O)[C@@H]1CCCN1CC(=O)Nc1sccc1C(N)=O ZINC000032851148 395714143 /nfs/dbraw/zinc/71/41/43/395714143.db2.gz OKAOSJNGCBHFOV-JTQLQIEISA-N 0 0 324.406 0.338 50 0 DCAARN O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)[C@@H]1CNC(=O)N1 ZINC000089800374 395715456 /nfs/dbraw/zinc/71/54/56/395715456.db2.gz JCNSVDACXSMTCM-SMDDNHRTSA-N 0 0 317.345 0.707 50 0 DCAARN O=C(Cn1c(=O)ccn(Cc2cccc(F)c2)c1=O)NC1CC1 ZINC000033331240 395717077 /nfs/dbraw/zinc/71/70/77/395717077.db2.gz JGMMTUWVMCGYNG-UHFFFAOYSA-N 0 0 317.320 0.476 50 0 DCAARN CCNc1nc(-n2nc(C)cc2C)nc(N2CCOCC2)n1 ZINC000033359750 395717182 /nfs/dbraw/zinc/71/71/82/395717182.db2.gz IBWUBFIUZPDKJS-UHFFFAOYSA-N 0 0 303.370 0.943 50 0 DCAARN C[C@@H]1CN(C)CCN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000089938124 395717198 /nfs/dbraw/zinc/71/71/98/395717198.db2.gz ATYJBQVVKALYJL-GFCCVEGCSA-N 0 0 300.366 0.503 50 0 DCAARN C[C@@H]1CN(C)CCN1C(=O)CCn1ncc(=O)c2ccccc21 ZINC000089938001 395717236 /nfs/dbraw/zinc/71/72/36/395717236.db2.gz FOTRSORWGFBTSA-CYBMUJFWSA-N 0 0 314.389 0.949 50 0 DCAARN Cc1ccc(-n2cnc(C(=O)NCCN3CCOCC3)n2)cc1 ZINC000034910662 395718053 /nfs/dbraw/zinc/71/80/53/395718053.db2.gz VCIOEVGUUIKUOE-UHFFFAOYSA-N 0 0 315.377 0.638 50 0 DCAARN CC(C)COC[C@@H]1C[C@@H](Cc2sc(N)nc2O)C(=O)O1 ZINC000035371799 395720193 /nfs/dbraw/zinc/72/01/93/395720193.db2.gz WHCZDZGEYSPRSQ-LPEHRKFASA-N 0 0 300.380 0.938 50 0 DCAARN O=C(CN1CCN(c2ncccn2)CC1)NCC(F)(F)F ZINC000035414195 395720862 /nfs/dbraw/zinc/72/08/62/395720862.db2.gz HJTAKQUTZALIAB-UHFFFAOYSA-N 0 0 303.288 0.277 50 0 DCAARN CC(=O)N1CCN(CC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000035529680 395720905 /nfs/dbraw/zinc/72/09/05/395720905.db2.gz XXGXJXFRJLRKIC-UHFFFAOYSA-N 0 0 318.377 0.177 50 0 DCAARN COC(=O)CNC(=O)c1c2c(sc1-n1cnnn1)CCCC2 ZINC000036357960 395723388 /nfs/dbraw/zinc/72/33/88/395723388.db2.gz FFQJYPRLPAMNIQ-UHFFFAOYSA-N 0 0 321.362 0.505 50 0 DCAARN NC(=O)CN1CCC(NC(=O)NCCc2ccc(F)cc2)CC1 ZINC000036392999 395723447 /nfs/dbraw/zinc/72/34/47/395723447.db2.gz VWOBSNUHYCTHSE-UHFFFAOYSA-N 0 0 322.384 0.617 50 0 DCAARN C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCN(C)CC1 ZINC000027976252 395695520 /nfs/dbraw/zinc/69/55/20/395695520.db2.gz DIAOZQJGXAHPRX-LBPRGKRZSA-N 0 0 316.365 0.204 50 0 DCAARN CCCc1noc(COC(=O)CN2C(=O)NC(C)(C)C2=O)n1 ZINC000028028404 395695716 /nfs/dbraw/zinc/69/57/16/395695716.db2.gz RFQNGQKOEVITNV-UHFFFAOYSA-N 0 0 310.310 0.396 50 0 DCAARN CC(C)CCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000028097511 395695879 /nfs/dbraw/zinc/69/58/79/395695879.db2.gz YFWCGDGJNXHNPP-VXGBXAGGSA-N 0 0 316.423 0.184 50 0 DCAARN COc1ccc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000029207804 395697593 /nfs/dbraw/zinc/69/75/93/395697593.db2.gz AMYZVPXQRLPKBM-GFCCVEGCSA-N 0 0 312.391 0.849 50 0 DCAARN Cc1cc(NC(=O)CN2CCN(c3ncccn3)CC2)n(C)n1 ZINC000029598400 395698732 /nfs/dbraw/zinc/69/87/32/395698732.db2.gz YSLROCUETQNNQJ-UHFFFAOYSA-N 0 0 315.381 0.279 50 0 DCAARN CS(=O)(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000029679858 395699622 /nfs/dbraw/zinc/69/96/22/395699622.db2.gz NMZHKKIUXKKTAU-UHFFFAOYSA-N 0 0 310.297 0.984 50 0 DCAARN Cc1cccc(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 ZINC000037489143 395727438 /nfs/dbraw/zinc/72/74/38/395727438.db2.gz JXSSBYGSLHGAOA-CABCVRRESA-N 0 0 310.419 0.275 50 0 DCAARN O=C(Cn1ccccc1=O)Nc1ccc(N2CCOCC2)cn1 ZINC000040051069 395732917 /nfs/dbraw/zinc/73/29/17/395732917.db2.gz MPFVJFKFBJCMOB-UHFFFAOYSA-N 0 0 314.345 0.719 50 0 DCAARN Cn1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)n1 ZINC000039996409 395732957 /nfs/dbraw/zinc/73/29/57/395732957.db2.gz JLLWCWMLBUDBEJ-UHFFFAOYSA-N 0 0 320.374 0.995 50 0 DCAARN Cc1nn(-c2ccccc2)nc1C(=O)N[C@H]1CCCCNC1=O ZINC000040521266 395734110 /nfs/dbraw/zinc/73/41/10/395734110.db2.gz JRCGOFDADXLEAX-ZDUSSCGKSA-N 0 0 313.361 0.974 50 0 DCAARN Cn1nccc1C(=O)NCCC(=O)Nc1cccc(C(N)=O)c1 ZINC000096192364 395748491 /nfs/dbraw/zinc/74/84/91/395748491.db2.gz MTMPJMNQFBRLPB-UHFFFAOYSA-N 0 0 315.333 0.278 50 0 DCAARN C[C@H]1COC[C@H](C)N1C(=O)CCn1nc2ccccn2c1=O ZINC000096419092 395753230 /nfs/dbraw/zinc/75/32/30/395753230.db2.gz YKOXBFYOIZOSGK-RYUDHWBXSA-N 0 0 304.350 0.522 50 0 DCAARN CCc1nnc2n1C[C@H](NC(=O)CCc1cnn(C)c1)CC2 ZINC000097198251 395755774 /nfs/dbraw/zinc/75/57/74/395755774.db2.gz KPHKJOKNUXWNBI-GFCCVEGCSA-N 0 0 302.382 0.638 50 0 DCAARN Nc1ncccc1CN1CCN(C(=O)c2ccc[nH]2)C[C@@H](O)C1 ZINC000097324067 395757093 /nfs/dbraw/zinc/75/70/93/395757093.db2.gz BORTWAWVKNNZJJ-ZDUSSCGKSA-N 0 0 315.377 0.311 50 0 DCAARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCOCC1 ZINC000096222959 395750544 /nfs/dbraw/zinc/75/05/44/395750544.db2.gz VMFPKEFOFLBSDW-ZDUSSCGKSA-N 0 0 317.345 0.356 50 0 DCAARN O=C(Cn1cccn1)NCc1cccnc1N1CCC[C@@H](O)C1 ZINC000042992781 395751206 /nfs/dbraw/zinc/75/12/06/395751206.db2.gz RNSGMVGRZDCABY-CQSZACIVSA-N 0 0 315.377 0.556 50 0 DCAARN CN(C)c1noc(CNC(=O)[C@H]2COCCN2CC2CCC2)n1 ZINC000193900061 395781817 /nfs/dbraw/zinc/78/18/17/395781817.db2.gz YTTYCZNWFSOPJE-GFCCVEGCSA-N 0 0 323.397 0.253 50 0 DCAARN C[C@H](Cn1ccnc1)NC(=O)N1CCN(c2cnccn2)CC1 ZINC000047027548 395786162 /nfs/dbraw/zinc/78/61/62/395786162.db2.gz WVUCYEXDADZYFQ-CYBMUJFWSA-N 0 0 315.381 0.593 50 0 DCAARN CCc1noc(C)c1C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000097681849 395759891 /nfs/dbraw/zinc/75/98/91/395759891.db2.gz WRAQXMZSFSRRAC-UHFFFAOYSA-N 0 0 315.395 0.701 50 0 DCAARN COc1cccc(OC[C@@H](O)CNC(=O)C2CCOCC2)c1 ZINC000097696246 395759899 /nfs/dbraw/zinc/75/98/99/395759899.db2.gz KKUGODLJPQCSPF-ZDUSSCGKSA-N 0 0 309.362 0.978 50 0 DCAARN O=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccccc1-n1cccn1 ZINC000097717306 395760161 /nfs/dbraw/zinc/76/01/61/395760161.db2.gz NFVJRQYNVVXJRZ-LLVKDONJSA-N 0 0 303.343 0.913 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N1CCCN(c2ccccc2)CC1 ZINC000097915095 395761062 /nfs/dbraw/zinc/76/10/62/395761062.db2.gz PLRILMYLVSAXGE-CYBMUJFWSA-N 0 0 316.361 0.323 50 0 DCAARN CC(C)c1ccc(C(=O)NCCCN2CCOCC2)c(=O)n1C ZINC000097819719 395761081 /nfs/dbraw/zinc/76/10/81/395761081.db2.gz ODIIQPUHFYCNDI-UHFFFAOYSA-N 0 0 321.421 0.961 50 0 DCAARN CCN(CCO)C(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000098077188 395762160 /nfs/dbraw/zinc/76/21/60/395762160.db2.gz SUIFKIXEGFVLFM-UHFFFAOYSA-N 0 0 318.370 0.335 50 0 DCAARN COC(=O)c1cn(-c2ccc(S(=O)(=O)N(C)C)cn2)cn1 ZINC000098212159 395762287 /nfs/dbraw/zinc/76/22/87/395762287.db2.gz OMCBRUNBOHZXCP-UHFFFAOYSA-N 0 0 310.335 0.304 50 0 DCAARN CC(C)C[C@H](CNC(=O)[C@H](C)n1cncn1)N1CCOCC1 ZINC000045236569 395762329 /nfs/dbraw/zinc/76/23/29/395762329.db2.gz BTXNTSMGEKCPLT-UONOGXRCSA-N 0 0 309.414 0.702 50 0 DCAARN O=C(NCCCNc1ccccn1)N[C@H]1CCCCNC1=O ZINC000045666986 395764468 /nfs/dbraw/zinc/76/44/68/395764468.db2.gz RUQHWWZKSSJIOR-LBPRGKRZSA-N 0 0 305.382 0.852 50 0 DCAARN COCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102175052 395769378 /nfs/dbraw/zinc/76/93/78/395769378.db2.gz HUYIKDUDZQEWOE-UHFFFAOYSA-N 0 0 307.375 0.989 50 0 DCAARN CC[C@H](C)[C@H](NC(=O)CN1CCC(CO)CC1)C(=O)OC ZINC000046090696 395770469 /nfs/dbraw/zinc/77/04/69/395770469.db2.gz YUNLGXRGEXROSA-FZMZJTMJSA-N 0 0 300.399 0.395 50 0 DCAARN CN1C[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)CC1=O ZINC000046181346 395772956 /nfs/dbraw/zinc/77/29/56/395772956.db2.gz ZJNVRIRSWBRUGE-INIZCTEOSA-N 0 0 315.417 0.852 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)CC[C@@H]2CCCO2)CC1 ZINC000046333547 395775745 /nfs/dbraw/zinc/77/57/45/395775745.db2.gz RHUDSOGHVCPNRC-LBPRGKRZSA-N 0 0 304.412 0.486 50 0 DCAARN C[C@@H](C(=O)NCc1nncn1-c1ccccc1)S(C)(=O)=O ZINC000048115820 395808785 /nfs/dbraw/zinc/80/87/85/395808785.db2.gz BQUWAUNQHOFGQA-JTQLQIEISA-N 0 0 308.363 0.317 50 0 DCAARN COc1ccc(NC(=O)c2cnccn2)cc1OCC(N)=O ZINC000048344690 395814188 /nfs/dbraw/zinc/81/41/88/395814188.db2.gz IHIOWPPUHVPSJJ-UHFFFAOYSA-N 0 0 302.290 0.602 50 0 DCAARN O=C(CN1CCN(CCO)CC1)NCCc1ccc(F)cc1 ZINC000048615876 395820327 /nfs/dbraw/zinc/82/03/27/395820327.db2.gz OSWWJVKSTMVXOX-UHFFFAOYSA-N 0 0 309.385 0.094 50 0 DCAARN CS(=O)(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000049334446 395831166 /nfs/dbraw/zinc/83/11/66/395831166.db2.gz GNPLDCAPEYHJCO-CYBMUJFWSA-N 0 0 302.371 0.748 50 0 DCAARN Cc1noc(C2CN(C(=O)c3cccc(-n4cnnn4)c3)C2)n1 ZINC000049482258 395832543 /nfs/dbraw/zinc/83/25/43/395832543.db2.gz HOLNJMGKMLRGQL-UHFFFAOYSA-N 0 0 311.305 0.593 50 0 DCAARN CC(C)[C@@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)c1ccccn1 ZINC000218935940 395843825 /nfs/dbraw/zinc/84/38/25/395843825.db2.gz VBXWHUIICKYVIU-GFCCVEGCSA-N 0 0 302.334 0.596 50 0 DCAARN CCc1nc(C)c(CC(=O)N[C@H](C)CCn2cccn2)c(=O)[nH]1 ZINC000218907453 395844046 /nfs/dbraw/zinc/84/40/46/395844046.db2.gz KKWXLFBFNOUNCO-LLVKDONJSA-N 0 0 317.393 0.975 50 0 DCAARN Cc1nccn1[C@H](C)CC(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000219308206 395844879 /nfs/dbraw/zinc/84/48/79/395844879.db2.gz BMTNMOYEVPWUTB-SECBINFHSA-N 0 0 304.354 0.579 50 0 DCAARN Cc1cc2ncn(C[C@H](O)CN3CCNC(=O)C3)c2cc1C ZINC000051114707 395845409 /nfs/dbraw/zinc/84/54/09/395845409.db2.gz CVGOOBIETGFFDX-CYBMUJFWSA-N 0 0 302.378 0.446 50 0 DCAARN O=C(CCn1cncn1)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000219333780 395845624 /nfs/dbraw/zinc/84/56/24/395845624.db2.gz FTANHMBYXWHLDN-ZOWXZIJZSA-N 0 0 301.350 0.692 50 0 DCAARN COc1nc(C)cc(C)c1CNC(=O)c1ccnn1CCO ZINC000220138444 395847870 /nfs/dbraw/zinc/84/78/70/395847870.db2.gz BYGNCFNWGWWWBS-UHFFFAOYSA-N 0 0 304.350 0.826 50 0 DCAARN O=C(CCn1cncn1)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000220344992 395847948 /nfs/dbraw/zinc/84/79/48/395847948.db2.gz FTANHMBYXWHLDN-LALPHHSUSA-N 0 0 301.350 0.692 50 0 DCAARN COC(=O)N[C@@H](C)C(=O)NCCn1ncc2ccccc2c1=O ZINC000220267808 395848056 /nfs/dbraw/zinc/84/80/56/395848056.db2.gz XESJYWNJVVAXGD-JTQLQIEISA-N 0 0 318.333 0.257 50 0 DCAARN CCOCCCOC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000225483768 395860846 /nfs/dbraw/zinc/86/08/46/395860846.db2.gz HWVYOWVZQREURZ-NSHDSACASA-N 0 0 308.396 0.939 50 0 DCAARN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC(C(N)=O)C(N)=O)c1 ZINC000051348741 395849913 /nfs/dbraw/zinc/84/99/13/395849913.db2.gz LVWYTCIFIMWMDJ-SNVBAGLBSA-N 0 0 321.377 0.341 50 0 DCAARN O=C(Cc1ccccc1Cl)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000225482042 395860937 /nfs/dbraw/zinc/86/09/37/395860937.db2.gz PDFQHUZGQOJUEF-STQMWFEESA-N 0 0 308.765 0.998 50 0 DCAARN O=C(Cn1ncc2ccccc21)N1CCn2nc(CO)cc2C1 ZINC000221369136 395850614 /nfs/dbraw/zinc/85/06/14/395850614.db2.gz TXBNLVJRBNBMQA-UHFFFAOYSA-N 0 0 311.345 0.768 50 0 DCAARN CC(CO)(CO)NC(=O)/C=C\c1ccc(-n2ccnc2)cc1 ZINC000221883364 395850963 /nfs/dbraw/zinc/85/09/63/395850963.db2.gz HXGINBYHERRSAV-DAXSKMNVSA-N 0 0 301.346 0.745 50 0 DCAARN COc1cccc(OCC(=O)N2CCC[C@](O)(CO)CC2)c1 ZINC000221405582 395851127 /nfs/dbraw/zinc/85/11/27/395851127.db2.gz PUHPXJWEOHGLIG-MRXNPFEDSA-N 0 0 309.362 0.810 50 0 DCAARN Cn1c(=O)[nH]cc(CC(=O)N[C@@H]2COC3(C2)CCCCC3)c1=O ZINC000221384834 395851398 /nfs/dbraw/zinc/85/13/98/395851398.db2.gz CPEIQGUTVFCNGH-LBPRGKRZSA-N 0 0 321.377 0.224 50 0 DCAARN CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCCn1cnc(C)c1C ZINC000221402685 395851523 /nfs/dbraw/zinc/85/15/23/395851523.db2.gz MJNVFHGVWVDIJD-AWEZNQCLSA-N 0 0 318.381 0.087 50 0 DCAARN Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2cn[nH]n2)cn1 ZINC000223413560 395855230 /nfs/dbraw/zinc/85/52/30/395855230.db2.gz HJJACDHIDBJSOA-YPMHNXCESA-N 0 0 303.322 0.474 50 0 DCAARN COC(=O)CCCN(C)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000051768897 395855282 /nfs/dbraw/zinc/85/52/82/395855282.db2.gz WAGHDDXUBUDHDV-UHFFFAOYSA-N 0 0 314.363 0.359 50 0 DCAARN CCc1nc(C)c(CC(=O)N2CCCC[C@@H]2C(=O)NC)c(=O)[nH]1 ZINC000223850199 395856330 /nfs/dbraw/zinc/85/63/30/395856330.db2.gz FFGJCRCCDTUQKC-GFCCVEGCSA-N 0 0 320.393 0.310 50 0 DCAARN C[C@@H]1COCCN1c1cc(=O)n2c(n1)N[C@H](C(F)(F)F)CC2 ZINC000224543041 395857908 /nfs/dbraw/zinc/85/79/08/395857908.db2.gz KJCMHWUVQPPPCG-BDAKNGLRSA-N 0 0 318.299 0.671 50 0 DCAARN C[C@@H](CNC(=O)c1cc2ccccc2c(=O)[nH]1)N1CCOCC1 ZINC000047639064 395798570 /nfs/dbraw/zinc/79/85/70/395798570.db2.gz DSGCGIHPILYXHT-LBPRGKRZSA-N 0 0 315.373 0.979 50 0 DCAARN NC(=O)CN1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000054389033 395899467 /nfs/dbraw/zinc/89/94/67/395899467.db2.gz RGHYYRXQWXMRCU-UHFFFAOYSA-N 0 0 303.288 0.493 50 0 DCAARN COc1ccc(NC(=O)[C@H](CC(C)C)NS(C)(=O)=O)cn1 ZINC000055544674 395920239 /nfs/dbraw/zinc/92/02/39/395920239.db2.gz SSBMZHOHHRCLDI-NSHDSACASA-N 0 0 315.395 0.993 50 0 DCAARN CCOc1ncccc1NC(=O)C(=O)NC(C)(C)C(=O)OC ZINC000225686849 395862425 /nfs/dbraw/zinc/86/24/25/395862425.db2.gz UZQIIUPVRTXWBO-UHFFFAOYSA-N 0 0 309.322 0.487 50 0 DCAARN CC[S@](=O)CC(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000225702570 395862485 /nfs/dbraw/zinc/86/24/85/395862485.db2.gz HDWKICNGCMSZFT-QFIPXVFZSA-N 0 0 324.446 0.978 50 0 DCAARN Cn1cccc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000225764716 395862712 /nfs/dbraw/zinc/86/27/12/395862712.db2.gz IGBDXEYLVFFROH-DGCLKSJQSA-N 0 0 323.393 0.983 50 0 DCAARN C[C@@H]1CN(C(=O)CCNc2ncnc3c2cnn3C)C[C@@H](C)O1 ZINC000052445203 395863278 /nfs/dbraw/zinc/86/32/78/395863278.db2.gz ZZRXCECZQRXLSN-GHMZBOCLSA-N 0 0 318.381 0.801 50 0 DCAARN CN(CC(=O)NC[C@@H]1Cc2ccccc2CO1)S(C)(=O)=O ZINC000225785748 395863861 /nfs/dbraw/zinc/86/38/61/395863861.db2.gz IQVUOPWTTMYTTG-ZDUSSCGKSA-N 0 0 312.391 0.136 50 0 DCAARN Cc1cc(C(=O)NCC2(C(N)=O)CCOCC2)nn1C(C)(C)C ZINC000052745166 395869182 /nfs/dbraw/zinc/86/91/82/395869182.db2.gz OFXPGNZGHIDZLR-UHFFFAOYSA-N 0 0 322.409 0.958 50 0 DCAARN C[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@@H]1N1CCOCC1 ZINC000229304561 395873769 /nfs/dbraw/zinc/87/37/69/395873769.db2.gz KEJLBYXBBNYFPE-RDBSUJKOSA-N 0 0 309.410 0.034 50 0 DCAARN C[C@@H]1C[C@H](N2CCN(c3ccc4nncn4n3)[C@@H](C)C2)C(=O)O1 ZINC000229543215 395874634 /nfs/dbraw/zinc/87/46/34/395874634.db2.gz KTTYJZMRAQDOHB-TUAOUCFPSA-N 0 0 316.365 0.339 50 0 DCAARN CCN1CCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 ZINC000053253242 395879127 /nfs/dbraw/zinc/87/91/27/395879127.db2.gz YWNKZWDKRHFPMH-UHFFFAOYSA-N 0 0 315.377 0.346 50 0 DCAARN Cc1nc(-c2nnc(NC(=O)c3ccc(=O)n(C)n3)o2)cs1 ZINC000056903823 395934927 /nfs/dbraw/zinc/93/49/27/395934927.db2.gz LUKWFFDZICMBDJ-UHFFFAOYSA-N 0 0 318.318 0.848 50 0 DCAARN C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCNC(=O)C1 ZINC000057322861 395942784 /nfs/dbraw/zinc/94/27/84/395942784.db2.gz PFZMCKQBJCRRGU-GVMDUPDNSA-N 0 0 305.422 0.892 50 0 DCAARN COc1ccc(CN2CC[C@H](NC(=O)c3cnccn3)C2)cn1 ZINC000065267312 395991635 /nfs/dbraw/zinc/99/16/35/395991635.db2.gz MPHKQUWYTYGUHT-ZDUSSCGKSA-N 0 0 313.361 0.885 50 0 DCAARN Cc1noc2nc(C)n(CC(=O)NCc3ccccn3)c(=O)c12 ZINC000065304902 395992488 /nfs/dbraw/zinc/99/24/88/395992488.db2.gz MCBSATJIQNFWAZ-UHFFFAOYSA-N 0 0 313.317 0.713 50 0 DCAARN CC(=O)NCCNC(=O)C1CCN(c2ccc(C)cn2)CC1 ZINC000065410484 395992834 /nfs/dbraw/zinc/99/28/34/395992834.db2.gz HXMGLJQEBXXNAT-UHFFFAOYSA-N 0 0 304.394 0.859 50 0 DCAARN O[C@H]1CCCN(c2ccnc(NCCSc3nc[nH]n3)n2)C1 ZINC000065455332 395994509 /nfs/dbraw/zinc/99/45/09/395994509.db2.gz SEYIJLMLRVPWGB-JTQLQIEISA-N 0 0 321.410 0.760 50 0 DCAARN O=C(CCN1CCS(=O)(=O)CC1)NCc1cccs1 ZINC000252508534 396022265 /nfs/dbraw/zinc/02/22/65/396022265.db2.gz XORDQKQMMKNOIN-UHFFFAOYSA-N 0 0 302.421 0.485 50 0 DCAARN Cc1cc(N)n(CC(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)n1 ZINC000252536833 396022360 /nfs/dbraw/zinc/02/23/60/396022360.db2.gz JQROZCDNPCMNJW-NVBFEUDRSA-N 0 0 318.381 0.136 50 0 DCAARN CS(=O)(=O)CCN1C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C1=O ZINC000252514999 396022576 /nfs/dbraw/zinc/02/25/76/396022576.db2.gz FSBOEHYQQQZCLZ-MXWKQRLJSA-N 0 0 300.380 0.626 50 0 DCAARN O[C@H]1C[C@@H](c2cc(N3CCN(c4cnccn4)CC3)ncn2)C1 ZINC000252536470 396022606 /nfs/dbraw/zinc/02/26/06/396022606.db2.gz IRBXRSRFQSBHOD-BETUJISGSA-N 0 0 312.377 0.832 50 0 DCAARN COc1cc(C)n(CCNC(=O)Cc2cccnc2)c(=O)c1 ZINC000252535746 396022733 /nfs/dbraw/zinc/02/27/33/396022733.db2.gz GSYYOHGTDKYVBC-UHFFFAOYSA-N 0 0 301.346 0.919 50 0 DCAARN O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)[C@H]1CCC(=O)N1 ZINC000252538083 396023467 /nfs/dbraw/zinc/02/34/67/396023467.db2.gz MQCUZGOCFMVDKG-IJLUTSLNSA-N 0 0 322.340 0.701 50 0 DCAARN Cc1occc1C(=O)N[C@@H]1CN(c2ncccn2)C[C@H]1CO ZINC000253404058 396027080 /nfs/dbraw/zinc/02/70/80/396027080.db2.gz HPZVTKJWKSPRRL-WCQYABFASA-N 0 0 302.334 0.605 50 0 DCAARN CC(=O)Nc1cccc(C(=O)NCCS(=O)(=O)N(C)C)c1 ZINC000067490979 396027108 /nfs/dbraw/zinc/02/71/08/396027108.db2.gz UDSITHQBQYOUMZ-UHFFFAOYSA-N 0 0 313.379 0.266 50 0 DCAARN Cc1nc(S(=O)(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)cn1C ZINC000253402736 396027152 /nfs/dbraw/zinc/02/71/52/396027152.db2.gz OPVGGBFWESAZHN-GRYCIOLGSA-N 0 0 315.395 0.343 50 0 DCAARN Cc1cccc(C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2CO)n1 ZINC000253412665 396027182 /nfs/dbraw/zinc/02/71/82/396027182.db2.gz RRHSZAYRHGGUGK-GXTWGEPZSA-N 0 0 313.361 0.407 50 0 DCAARN NC(=O)[C@H](CO)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000253417557 396027898 /nfs/dbraw/zinc/02/78/98/396027898.db2.gz AITCQHBQQQUTIT-QMMMGPOBSA-N 0 0 312.269 0.238 50 0 DCAARN Cn1nccc1N1CCC[C@@H](NC(=O)CCc2cnccn2)C1 ZINC000253429036 396028887 /nfs/dbraw/zinc/02/88/87/396028887.db2.gz OFKBNXGIRSOECR-CQSZACIVSA-N 0 0 314.393 0.928 50 0 DCAARN COc1ncccc1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 ZINC000253426405 396028930 /nfs/dbraw/zinc/02/89/30/396028930.db2.gz GLSATTURPKTRHQ-NSHDSACASA-N 0 0 301.350 0.832 50 0 DCAARN Cn1ccsc1=NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 ZINC000253531064 396029311 /nfs/dbraw/zinc/02/93/11/396029311.db2.gz ALUPBCJGEDGOAS-UHFFFAOYSA-N 0 0 316.342 0.630 50 0 DCAARN O=C(Cn1ncccc1=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000253473645 396029605 /nfs/dbraw/zinc/02/96/05/396029605.db2.gz WXGSZSNRBISKTB-CYBMUJFWSA-N 0 0 300.318 0.318 50 0 DCAARN CC(C)Cc1cc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)nc(N)n1 ZINC000067756786 396033465 /nfs/dbraw/zinc/03/34/65/396033465.db2.gz JCDPKYAPTXOSJI-SECBINFHSA-N 0 0 310.379 0.298 50 0 DCAARN COc1cccc(CC(=O)N2CCCOCCNC(=O)CC2)c1 ZINC000257180113 396034008 /nfs/dbraw/zinc/03/40/08/396034008.db2.gz KCRPNCYDCNZUHS-UHFFFAOYSA-N 0 0 320.389 0.993 50 0 DCAARN CCn1cnnc1CCNC(=O)[C@H]1COc2ccccc2O1 ZINC000067785241 396034014 /nfs/dbraw/zinc/03/40/14/396034014.db2.gz AEIHPGWKBUKOHX-CYBMUJFWSA-N 0 0 302.334 0.797 50 0 DCAARN CCOCC(=O)N1C[C@@H](COc2ccccc2)[C@H](C(N)=O)C1 ZINC000257178308 396034160 /nfs/dbraw/zinc/03/41/60/396034160.db2.gz ZWDPJZAZQIHNHM-GXTWGEPZSA-N 0 0 306.362 0.662 50 0 DCAARN Cc1cnc(C(=O)N2CC(n3cnnc3[C@H]3CCCO3)C2)cn1 ZINC000257177896 396034493 /nfs/dbraw/zinc/03/44/93/396034493.db2.gz YIUSDMRTIKNBQF-CYBMUJFWSA-N 0 0 314.349 0.925 50 0 DCAARN Cc1cc(C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)[nH]n1 ZINC000067845934 396035973 /nfs/dbraw/zinc/03/59/73/396035973.db2.gz ZBMJXFVAMGIGJU-SNVBAGLBSA-N 0 0 319.317 0.617 50 0 DCAARN Cn1ccn2ncc(C(=O)NCc3cccc(-c4nn[nH]n4)c3)c12 ZINC000067946952 396039554 /nfs/dbraw/zinc/03/95/54/396039554.db2.gz UIIWHMSNQDJXTQ-UHFFFAOYSA-N 0 0 322.332 0.783 50 0 DCAARN C[N@@H+]1CCN(c2ccc(C(=O)N3CCCC3)cn2)C[C@@H]1C(=O)[O-] ZINC000067981714 396041605 /nfs/dbraw/zinc/04/16/05/396041605.db2.gz FJQUAOYCDJRJMX-CYBMUJFWSA-N 0 0 318.377 0.523 50 0 DCAARN CCN(CC(=O)NC(C)C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000152337026 396006617 /nfs/dbraw/zinc/00/66/17/396006617.db2.gz NLEKEMAZSRUJFQ-CQSZACIVSA-N 0 0 321.425 0.762 50 0 DCAARN CCN(C)C(=O)[C@H](C)NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000252507638 396021778 /nfs/dbraw/zinc/02/17/78/396021778.db2.gz WQIRMSPXVHQAOL-NSHDSACASA-N 0 0 306.362 0.983 50 0 DCAARN O=C(C[C@H]1CCN(C(=O)c2ccncc2)C1)N1CCOCC1 ZINC000169748895 396090997 /nfs/dbraw/zinc/09/09/97/396090997.db2.gz CPRYRZNSCPAJHC-CYBMUJFWSA-N 0 0 303.362 0.793 50 0 DCAARN CNC(=O)CN(c1ccccc1C)S(=O)(=O)c1cnn(C)c1 ZINC000069813399 396091307 /nfs/dbraw/zinc/09/13/07/396091307.db2.gz QIENYSQTVNIKTR-UHFFFAOYSA-N 0 0 322.390 0.670 50 0 DCAARN Cn1cccc1C(=O)N1CC[C@H](CO)[C@H](NC(=O)C2CC2)C1 ZINC000169786448 396092627 /nfs/dbraw/zinc/09/26/27/396092627.db2.gz JBXBMPFWANQEEL-CHWSQXEVSA-N 0 0 305.378 0.374 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)c3cccs3)C[C@H]2C(N)=O)[nH]1 ZINC000169786906 396092632 /nfs/dbraw/zinc/09/26/32/396092632.db2.gz QBYOVTIVBUZTGO-RKDXNWHRSA-N 0 0 305.363 0.516 50 0 DCAARN COCCCNC(=O)[C@]1(CCO)CCN(c2ncccn2)C1 ZINC000169787649 396092633 /nfs/dbraw/zinc/09/26/33/396092633.db2.gz IBOCUPWSTQFFGF-HNNXBMFYSA-N 0 0 308.382 0.208 50 0 DCAARN COC[C@H]1NC(=O)CC[C@H]1C(=O)NCc1ccccc1OC ZINC000169787901 396092667 /nfs/dbraw/zinc/09/26/67/396092667.db2.gz DKKRHGXCXXDELH-CHWSQXEVSA-N 0 0 306.362 0.853 50 0 DCAARN Cn1c2ccc(C(=O)N3CCC[C@@]34CCOC4=O)cc2[nH]c1=O ZINC000170601340 396095152 /nfs/dbraw/zinc/09/51/52/396095152.db2.gz QQJPXEAFZOXQNO-INIZCTEOSA-N 0 0 315.329 0.788 50 0 DCAARN C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000069922885 396095197 /nfs/dbraw/zinc/09/51/97/396095197.db2.gz CYKKRSPCLIYHGC-ZIAGYGMSSA-N 0 0 314.426 0.486 50 0 DCAARN C[C@]1(COC(=O)c2ccc(-n3ccnn3)cc2)CNC(=O)C1 ZINC000170609366 396095357 /nfs/dbraw/zinc/09/53/57/396095357.db2.gz RUZUZBIZKONBRE-OAHLLOKOSA-N 0 0 300.318 0.950 50 0 DCAARN C[C@@H](C(=O)NCc1ccccc1F)N1CCN(CCO)CC1 ZINC000069948512 396095681 /nfs/dbraw/zinc/09/56/81/396095681.db2.gz JZGSBHVIGVUZOI-ZDUSSCGKSA-N 0 0 309.385 0.440 50 0 DCAARN CN(c1cnccn1)S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000170619598 396096267 /nfs/dbraw/zinc/09/62/67/396096267.db2.gz ORCIJZAAFIABQL-UHFFFAOYSA-N 0 0 303.294 0.763 50 0 DCAARN Cc1cc(C)n(-c2ccc(CNC(=O)CCNC(N)=O)cn2)n1 ZINC000170651644 396097178 /nfs/dbraw/zinc/09/71/78/396097178.db2.gz OVAJIMGYYVNMFB-UHFFFAOYSA-N 0 0 316.365 0.559 50 0 DCAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)C ZINC000070007828 396097485 /nfs/dbraw/zinc/09/74/85/396097485.db2.gz CHVBMTCXRRJHQC-JTQLQIEISA-N 0 0 316.427 0.836 50 0 DCAARN C(Nc1nc2nn[nH]c2c(N2CCOCC2)n1)[C@@H]1CCCO1 ZINC000070637489 396102837 /nfs/dbraw/zinc/10/28/37/396102837.db2.gz IWBDVIZJLMQOIJ-VIFPVBQESA-N 0 0 305.342 0.175 50 0 DCAARN O=C(c1nc(N2CCCC2)ncc1Cl)N1CCNC(=O)C1 ZINC000071808707 396115178 /nfs/dbraw/zinc/11/51/78/396115178.db2.gz QBWXRWZWQZROAA-UHFFFAOYSA-N 0 0 309.757 0.302 50 0 DCAARN O=C(CCCn1cncn1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000071841671 396118575 /nfs/dbraw/zinc/11/85/75/396118575.db2.gz DHHSCYGVRXXYMH-GFCCVEGCSA-N 0 0 306.370 0.075 50 0 DCAARN CC(=O)N[C@H](C)C(=O)N1CCC(Nc2ccc(C)nn2)CC1 ZINC000071863517 396119621 /nfs/dbraw/zinc/11/96/21/396119621.db2.gz ZMKZDYHJHMKPAX-LLVKDONJSA-N 0 0 305.382 0.713 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)Cc2ccc3c(c2)OCCO3)CC1 ZINC000071871013 396120374 /nfs/dbraw/zinc/12/03/74/396120374.db2.gz LEWSXQQCWLPAEY-CYBMUJFWSA-N 0 0 320.389 0.525 50 0 DCAARN CCc1nc2n(n1)C[C@@H](NCc1nnc(C3CC3)n1C)CC2 ZINC000071871782 396120505 /nfs/dbraw/zinc/12/05/05/396120505.db2.gz LXRNEJPBGLBCIS-NSHDSACASA-N 0 0 301.398 0.951 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)c2cccnc2OC)CC1 ZINC000071881962 396122934 /nfs/dbraw/zinc/12/29/34/396122934.db2.gz UHXTXGOGJTWSJX-ZDUSSCGKSA-N 0 0 323.393 0.245 50 0 DCAARN C[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000071890309 396123246 /nfs/dbraw/zinc/12/32/46/396123246.db2.gz SQPBBLGLFGMPCW-NSHDSACASA-N 0 0 322.390 0.808 50 0 DCAARN Cc1ccc2oc(=O)n(CN(C)CC(=O)N3CCOCC3)c2c1 ZINC000071896876 396123256 /nfs/dbraw/zinc/12/32/56/396123256.db2.gz RKZLSRZDGYFSQN-UHFFFAOYSA-N 0 0 319.361 0.651 50 0 DCAARN Cc1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)o1 ZINC000071884328 396123645 /nfs/dbraw/zinc/12/36/45/396123645.db2.gz BQHKSIXJEISUBX-UHFFFAOYSA-N 0 0 318.420 0.696 50 0 DCAARN COC(=O)c1ccc(C(=O)N[C@@](C)(CC(C)C)C(N)=O)nc1 ZINC000071896846 396123696 /nfs/dbraw/zinc/12/36/96/396123696.db2.gz KCOKORSJLAHAQZ-HNNXBMFYSA-N 0 0 307.350 0.888 50 0 DCAARN CCCCS[C@@H](C)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000071896128 396123738 /nfs/dbraw/zinc/12/37/38/396123738.db2.gz DHJIEMLOZLEBOR-JTQLQIEISA-N 0 0 309.457 0.256 50 0 DCAARN CCC(CC)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000071884369 396123827 /nfs/dbraw/zinc/12/38/27/396123827.db2.gz YHVXSNJCGCWZSR-UHFFFAOYSA-N 0 0 308.469 0.917 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1ccccc1C(C)=O ZINC000071892899 396123888 /nfs/dbraw/zinc/12/38/88/396123888.db2.gz PXPUZKVVXLTHJB-RISCZKNCSA-N 0 0 320.345 0.436 50 0 DCAARN O=C(COC1CCCC1)N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000071900225 396124700 /nfs/dbraw/zinc/12/47/00/396124700.db2.gz DZLYRONXHJZTMK-AWEZNQCLSA-N 0 0 310.394 0.795 50 0 DCAARN CN(CCNS(C)(=O)=O)Cc1cc2ccccc2[nH]c1=O ZINC000071904668 396124725 /nfs/dbraw/zinc/12/47/25/396124725.db2.gz JQJWVBJONWIISL-UHFFFAOYSA-N 0 0 309.391 0.509 50 0 DCAARN Cc1cc(C)n([C@H]2CCN(C(=O)c3cn4c(n3)CNCC4)C2)n1 ZINC000072167320 396127333 /nfs/dbraw/zinc/12/73/33/396127333.db2.gz BDRNVKRBTNAIOW-ZDUSSCGKSA-N 0 0 314.393 0.887 50 0 DCAARN Cc1nc(C)n([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 ZINC000072235399 396127443 /nfs/dbraw/zinc/12/74/43/396127443.db2.gz DGHSZGZGOCSYLV-OLZOCXBDSA-N 0 0 305.382 0.537 50 0 DCAARN CC(C)n1cnnc1[C@@H](C)NC(=O)c1cn2c(n1)CNCC2 ZINC000072138995 396127469 /nfs/dbraw/zinc/12/74/69/396127469.db2.gz WPHKYEVBPYQZRH-SNVBAGLBSA-N 0 0 303.370 0.650 50 0 DCAARN Cc1cc([C@H](C)C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c(C)o1 ZINC000072290656 396129821 /nfs/dbraw/zinc/12/98/21/396129821.db2.gz XURNYGBPGDFNLU-BJOHPYRUSA-N 0 0 305.334 0.810 50 0 DCAARN CCNC(=O)C1CN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 ZINC000072314343 396131428 /nfs/dbraw/zinc/13/14/28/396131428.db2.gz ZPKSENPNZURJQK-UHFFFAOYSA-N 0 0 315.329 0.121 50 0 DCAARN CC(C)COCCCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000069414827 396077443 /nfs/dbraw/zinc/07/74/43/396077443.db2.gz RQYIMCNVGSAUSZ-STQMWFEESA-N 0 0 308.444 0.993 50 0 DCAARN Cc1cc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)no1 ZINC000069392762 396077590 /nfs/dbraw/zinc/07/75/90/396077590.db2.gz JISJQKQCHAOBQM-LBPRGKRZSA-N 0 0 305.338 0.519 50 0 DCAARN COCCc1noc(CN2CCN(Cc3nccn3C)CC2)n1 ZINC000069452886 396078975 /nfs/dbraw/zinc/07/89/75/396078975.db2.gz KADSRLSTHRWSQM-UHFFFAOYSA-N 0 0 320.397 0.310 50 0 DCAARN Cc1cnn([C@@H]2CCCN(C(=O)CN3CSCC3=O)C2)c1 ZINC000069485157 396080208 /nfs/dbraw/zinc/08/02/08/396080208.db2.gz CBZMZZWWOPLCKB-GFCCVEGCSA-N 0 0 308.407 0.888 50 0 DCAARN COC(=O)c1occc1Cn1c(=O)onc1-c1cnccn1 ZINC000069486572 396080306 /nfs/dbraw/zinc/08/03/06/396080306.db2.gz QJYJESHTJUDZEA-UHFFFAOYSA-N 0 0 302.246 0.721 50 0 DCAARN Cc1nnc2n1CCN(CCS(=O)(=O)c1ccccc1)C2 ZINC000069528324 396082081 /nfs/dbraw/zinc/08/20/81/396082081.db2.gz YRVOVIQLOJLIJE-UHFFFAOYSA-N 0 0 306.391 0.876 50 0 DCAARN CCc1noc([C@@H](C)N2CCC(NS(C)(=O)=O)CC2)n1 ZINC000069538947 396083088 /nfs/dbraw/zinc/08/30/88/396083088.db2.gz CQYJHWLQNHGNHX-SECBINFHSA-N 0 0 302.400 0.707 50 0 DCAARN Cc1cc(NC(=O)CN2CCC[C@H]2Cn2cncn2)n(C)n1 ZINC000069589583 396083575 /nfs/dbraw/zinc/08/35/75/396083575.db2.gz XSWHYVGSJBORHP-LBPRGKRZSA-N 0 0 303.370 0.423 50 0 DCAARN Cc1cnn(C[C@H]2CN(c3cc(C)nc4ncnn43)CCO2)c1 ZINC000069571046 396083832 /nfs/dbraw/zinc/08/38/32/396083832.db2.gz KRMPCUQXZNAQAT-CYBMUJFWSA-N 0 0 313.365 0.843 50 0 DCAARN Cc1ccc(CNC(=O)NCC(=O)NCC(F)(F)F)cn1 ZINC000069589550 396083847 /nfs/dbraw/zinc/08/38/47/396083847.db2.gz TZZPTUCSGHKEDY-UHFFFAOYSA-N 0 0 304.272 0.868 50 0 DCAARN Cc1nc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c(C)s1 ZINC000178802898 396209836 /nfs/dbraw/zinc/20/98/36/396209836.db2.gz QIUCUYURKFRVBK-YMTOWFKASA-N 0 0 322.390 0.868 50 0 DCAARN Cn1cc(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)cn1 ZINC000074396245 396166320 /nfs/dbraw/zinc/16/63/20/396166320.db2.gz FMUOQMJXPDPEEX-UHFFFAOYSA-N 0 0 300.366 0.594 50 0 DCAARN COC[C@@H](O)CN(C)C(=O)CNC(=O)OCc1ccccc1 ZINC000075092813 396175546 /nfs/dbraw/zinc/17/55/46/396175546.db2.gz JOHWLGLMTQCAGY-ZDUSSCGKSA-N 0 0 310.350 0.379 50 0 DCAARN C[C@H]1CCCN(C(=O)CNC(=O)c2ccc3n[nH]nc3c2)C1 ZINC000075104631 396176116 /nfs/dbraw/zinc/17/61/16/396176116.db2.gz DMTOTYGHDIYSAW-JTQLQIEISA-N 0 0 301.350 0.946 50 0 DCAARN Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)Cn2cnnn2)n1 ZINC000075129616 396176898 /nfs/dbraw/zinc/17/68/98/396176898.db2.gz NADLPBXECOZDDY-ZDUSSCGKSA-N 0 0 303.370 0.568 50 0 DCAARN CCOC(=O)C1=C(N)N2CCN=C2N2N=Cc3ccccc3[C@H]12 ZINC000075286722 396179563 /nfs/dbraw/zinc/17/95/63/396179563.db2.gz BICJTFROZRDEPO-CYBMUJFWSA-N 0 0 311.345 0.796 50 0 DCAARN CC(C)C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1Cn1cccn1 ZINC000075604375 396182438 /nfs/dbraw/zinc/18/24/38/396182438.db2.gz NBNMXSHKOPZORY-STQMWFEESA-N 0 0 307.398 0.957 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)[C@H](C)OCC(F)(F)F)CCO2)[nH]1 ZINC000076045554 396192599 /nfs/dbraw/zinc/19/25/99/396192599.db2.gz XRVBHWAAJNRIQK-CBAPKCEASA-N 0 0 322.287 0.980 50 0 DCAARN Cc1nc([C@H]2CCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)no1 ZINC000076043738 396192879 /nfs/dbraw/zinc/19/28/79/396192879.db2.gz JLVNOBWSNILJGO-GHMZBOCLSA-N 0 0 307.354 0.832 50 0 DCAARN CCOc1nnc(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)s1 ZINC000076048175 396193629 /nfs/dbraw/zinc/19/36/29/396193629.db2.gz DRWVXJIFKWHZJN-SECBINFHSA-N 0 0 310.383 0.937 50 0 DCAARN Cn1nc2c(cc1=O)CN(Cc1nc(-c3ccccn3)no1)CC2 ZINC000076064803 396195559 /nfs/dbraw/zinc/19/55/59/396195559.db2.gz RAKWPYDVJOTNKO-UHFFFAOYSA-N 0 0 324.344 0.784 50 0 DCAARN C[C@@H]1CN=C(N2CCN(c3ncnc4n[nH]cc43)CC2)S1 ZINC000076064094 396195635 /nfs/dbraw/zinc/19/56/35/396195635.db2.gz VMQARDXMZQDKLC-SECBINFHSA-N 0 0 303.395 0.966 50 0 DCAARN Cn1nc2c(cc1=O)CN(CC(=O)NC(C1CC1)C1CC1)CC2 ZINC000076064794 396196070 /nfs/dbraw/zinc/19/60/70/396196070.db2.gz ZHSKVXPHWDQFJM-UHFFFAOYSA-N 0 0 316.405 0.443 50 0 DCAARN Cc1cc(NC(=O)CSCC(=O)O[C@H]2CCOC2)no1 ZINC000078612333 396249248 /nfs/dbraw/zinc/24/92/48/396249248.db2.gz XGLQQFHTYCIGFG-VIFPVBQESA-N 0 0 300.336 0.987 50 0 DCAARN CCCc1nnc([C@@H]2CN(CC(=O)N3CCCC3)CCO2)[nH]1 ZINC000078894407 396257042 /nfs/dbraw/zinc/25/70/42/396257042.db2.gz RNVVWASZJIECBM-LBPRGKRZSA-N 0 0 307.398 0.753 50 0 DCAARN Cn1ncc2c1ncnc2NCCC(=O)NCc1ccccn1 ZINC000183953991 396279092 /nfs/dbraw/zinc/27/90/92/396279092.db2.gz AQDBBRINZFZOED-UHFFFAOYSA-N 0 0 311.349 0.877 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)c2cnc(-c3ccco3)s2)CCO1 ZINC000183977717 396279333 /nfs/dbraw/zinc/27/93/33/396279333.db2.gz FFGCMFSWUVDRKS-JTQLQIEISA-N 0 0 321.358 0.990 50 0 DCAARN CCn1c(N)nc2cc(C(=O)NCCc3ncnn3C)cnc21 ZINC000077287386 396217375 /nfs/dbraw/zinc/21/73/75/396217375.db2.gz DWYVVVRWFVNRNG-UHFFFAOYSA-N 0 0 314.353 0.134 50 0 DCAARN O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCOC[C@@H](O)C1 ZINC000077440372 396222466 /nfs/dbraw/zinc/22/24/66/396222466.db2.gz LGOWQGVGBHXFDF-ZETCQYMHSA-N 0 0 306.240 0.639 50 0 DCAARN Cc1nc(N2CCCCC2)ncc1C(=O)N1CCOC[C@@H](O)C1 ZINC000077469945 396223093 /nfs/dbraw/zinc/22/30/93/396223093.db2.gz QDSMXTCAXYVXNQ-ZDUSSCGKSA-N 0 0 320.393 0.609 50 0 DCAARN O=C(COCc1nc2cc(F)ccc2[nH]1)N1CCOC[C@H](O)C1 ZINC000077504638 396224590 /nfs/dbraw/zinc/22/45/90/396224590.db2.gz OSQMWEOLQSAVOM-LLVKDONJSA-N 0 0 323.324 0.438 50 0 DCAARN Cc1cc(N2CCC(NC(=O)[C@@H]3COC(=O)N3)CC2)nc(C)n1 ZINC000283325371 396329555 /nfs/dbraw/zinc/32/95/55/396329555.db2.gz GVJXAXURXBISBQ-LBPRGKRZSA-N 0 0 319.365 0.287 50 0 DCAARN CCn1cc([C@H]2CN(Cc3nc(N(C)C)no3)CCO2)cn1 ZINC000192821536 396438136 /nfs/dbraw/zinc/43/81/36/396438136.db2.gz PTJCLAXXJWJYKF-GFCCVEGCSA-N 0 0 306.370 0.926 50 0 DCAARN CC(C)(C)N1C[C@H](Cn2cnc3nccnc3c2=O)CC1=O ZINC000584894880 396634713 /nfs/dbraw/zinc/63/47/13/396634713.db2.gz IMOGVJLLZHLRLB-JTQLQIEISA-N 0 0 301.350 0.834 50 0 DCAARN CCS(=O)(=O)[C@H](C)C(=O)NCCc1noc(C(C)C)n1 ZINC000584902102 396636950 /nfs/dbraw/zinc/63/69/50/396636950.db2.gz IURBVHYYFONRBV-SECBINFHSA-N 0 0 303.384 0.675 50 0 DCAARN CCN1C[C@@H](CNC(=O)c2cccc(-n3cnnc3)c2)CC1=O ZINC000584902571 396637052 /nfs/dbraw/zinc/63/70/52/396637052.db2.gz PFRAHKCONZJHLN-GFCCVEGCSA-N 0 0 313.361 0.866 50 0 DCAARN COCCN1C[C@@]2(CCCN(C(=O)c3cn[nH]c3)C2)CCC1=O ZINC000299764806 396713981 /nfs/dbraw/zinc/71/39/81/396713981.db2.gz LWVCLJNBVDEQEG-MRXNPFEDSA-N 0 0 320.393 0.901 50 0 DCAARN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccn(C3CCCC3)n2)C1 ZINC000375679156 396794925 /nfs/dbraw/zinc/79/49/25/396794925.db2.gz WAFWYMIPSGOTKK-OAHLLOKOSA-N 0 0 306.366 0.451 50 0 DCAARN CCO[C@H](CS(=O)(=O)N1CCCC[C@@]1(C)C(N)=O)C1CC1 ZINC000625119163 396776529 /nfs/dbraw/zinc/77/65/29/396776529.db2.gz MAIOBRKDESTWAH-OCCSQVGLSA-N 0 0 318.439 0.861 50 0 DCAARN Cn1cc(S(=O)(=O)NC[C@@](C)(O)Cc2ccsc2)cn1 ZINC000618256430 396942271 /nfs/dbraw/zinc/94/22/71/396942271.db2.gz IEQACPIHJJWGIQ-LBPRGKRZSA-N 0 0 315.420 0.754 50 0 DCAARN COc1ccc(OCc2nnc3n2CCS(=O)(=O)CC3)cc1 ZINC000630951138 397146736 /nfs/dbraw/zinc/14/67/36/397146736.db2.gz IZVDIBFXXSJUHU-UHFFFAOYSA-N 0 0 323.374 0.837 50 0 DCAARN CSCC[C@H](CO)NC(=O)c1ccc(Cn2cnnn2)cc1 ZINC000390827954 397302792 /nfs/dbraw/zinc/30/27/92/397302792.db2.gz MKJRWCBDIKXOGC-CYBMUJFWSA-N 0 0 321.406 0.565 50 0 DCAARN Cc1cc(C)nc(O[C@@H]2CCN(C(=O)N3CCN(C)CC3)C2)n1 ZINC000390827969 397302899 /nfs/dbraw/zinc/30/28/99/397302899.db2.gz MREDEAJBFLZRCT-CQSZACIVSA-N 0 0 319.409 0.914 50 0 DCAARN CCOC(=O)C[C@H]1CCCCN1C(=O)Cn1nc(C)ccc1=O ZINC000077377027 285799276 /nfs/dbraw/zinc/79/92/76/285799276.db2.gz ZMANEVHCDLIEGL-CYBMUJFWSA-N 0 0 321.377 0.886 50 0 DCAARN COC(=O)[C@H](C)n1ncn(-c2ccc(OC)c(OC)c2)c1=O ZINC000602993665 397544613 /nfs/dbraw/zinc/54/46/13/397544613.db2.gz ULLKFKQZRYLIPJ-VIFPVBQESA-N 0 0 307.306 0.785 50 0 DCAARN O=C(/C=C\C=C(Cl)Cl)NC[C@@H](O)CN1CCOCC1 ZINC000606445857 397681898 /nfs/dbraw/zinc/68/18/98/397681898.db2.gz CNPNRARIXDEXQU-BRPGZNNISA-N 0 0 309.193 0.671 50 0 DCAARN CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)N1CCOC[C@@H]1C ZINC000058217343 285864796 /nfs/dbraw/zinc/86/47/96/285864796.db2.gz WGZNJDPEWORVDF-RYUDHWBXSA-N 0 0 320.411 0.370 50 0 DCAARN COc1ccc2c(c1)CCC[C@@]21NC(=O)N(CC(N)=O)C1=O ZINC000003305288 286393251 /nfs/dbraw/zinc/39/32/51/286393251.db2.gz IVJWJDDAMODEJK-OAHLLOKOSA-N 0 0 303.318 0.264 50 0 DCAARN Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)[nH]n1 ZINC000330062124 159138738 /nfs/dbraw/zinc/13/87/38/159138738.db2.gz OXFLFFOFQSLXGU-MSRIBSCDSA-N 0 0 301.350 0.802 50 0 DCAARN C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)c1nnc2ccccn21 ZINC000152116759 287038761 /nfs/dbraw/zinc/03/87/61/287038761.db2.gz NSULMWFPPMLLMB-SECBINFHSA-N 0 0 312.333 0.658 50 0 DCAARN CC(C)[C@@H](Sc1nnnn1C(C)(C)C)C(=O)NC(N)=O ZINC000016290702 415150729 /nfs/dbraw/zinc/15/07/29/415150729.db2.gz WZYALWIEYFKJPX-SSDOTTSWSA-N 0 0 300.388 0.740 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)[O-] ZINC000021049929 415153969 /nfs/dbraw/zinc/15/39/69/415153969.db2.gz FTWHLARTWMVCMQ-UHFFFAOYSA-N 0 0 300.380 0.923 50 0 DCAARN Cc1cc(C)n(-c2cc(NCCNS(C)(=O)=O)nc(C)n2)n1 ZINC000023144533 415158452 /nfs/dbraw/zinc/15/84/52/415158452.db2.gz QCIZDKQMJLCWNI-UHFFFAOYSA-N 0 0 324.410 0.549 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(Br)c1 ZINC000025052953 415158554 /nfs/dbraw/zinc/15/85/54/415158554.db2.gz GEDVTGWMOHUCAV-UHFFFAOYSA-N 0 0 324.134 0.938 50 0 DCAARN CCNC(=O)CN(CC)C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000025273769 415163200 /nfs/dbraw/zinc/16/32/00/415163200.db2.gz PNIXRPQZXRNZQT-UHFFFAOYSA-N 0 0 302.334 0.521 50 0 DCAARN S=C(NC[C@@H]1CCCO1)N1CCN(c2ncccn2)CC1 ZINC000000621629 415125309 /nfs/dbraw/zinc/12/53/09/415125309.db2.gz IZJHFIRKLPLDAY-LBPRGKRZSA-N 0 0 307.423 0.652 50 0 DCAARN CCOC(=O)COc1cccc(NC(=O)[C@@H]2COCCO2)c1 ZINC000025275389 415163594 /nfs/dbraw/zinc/16/35/94/415163594.db2.gz BLBDPVFCMZZMIA-ZDUSSCGKSA-N 0 0 309.318 0.982 50 0 DCAARN CCN(CCO)c1nc2c(cnn2C)c(N2CCOCC2)n1 ZINC000004375086 415129490 /nfs/dbraw/zinc/12/94/90/415129490.db2.gz BJJTVIIMZACDJQ-UHFFFAOYSA-N 0 0 306.370 0.019 50 0 DCAARN C[C@@H]1Nc2[nH]c(N)nc(=O)c2N(C(=O)c2cccnc2)[C@H]1C ZINC000005130903 415134229 /nfs/dbraw/zinc/13/42/29/415134229.db2.gz BTWHZQREJHEVAN-YUMQZZPRSA-N 0 0 300.322 0.596 50 0 DCAARN CC(=O)NC(=S)NN1C(=O)C2=CC=CC3=CC=C[C@H](C1=O)[C@H]32 ZINC000005786779 415135060 /nfs/dbraw/zinc/13/50/60/415135060.db2.gz WNLVCUZCWPNPJT-JQWIXIFHSA-N 0 0 315.354 0.506 50 0 DCAARN CCN(CC)C(=S)SCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000006879614 415135113 /nfs/dbraw/zinc/13/51/13/415135113.db2.gz OSYNWKATNFKKKC-VIFPVBQESA-N 0 0 324.493 0.650 50 0 DCAARN N=c1sccn1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000007157008 415137496 /nfs/dbraw/zinc/13/74/96/415137496.db2.gz IUJJJPPEFGFECL-UHFFFAOYSA-N 0 0 312.376 0.315 50 0 DCAARN C[C@@H]1C[C@H]1C(=O)OCC(=O)N1CCN(c2ncccn2)CC1 ZINC000008099969 415144105 /nfs/dbraw/zinc/14/41/05/415144105.db2.gz WPALNQXJVWKFGV-VXGBXAGGSA-N 0 0 304.350 0.324 50 0 DCAARN CN(CC(=O)NC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000014019592 415147706 /nfs/dbraw/zinc/14/77/06/415147706.db2.gz QGLKURORMPKWNP-ZDUSSCGKSA-N 0 0 302.440 0.944 50 0 DCAARN O=C1[C@H]2[C@H](ON3CCOC[C@H]23)C(=O)N1c1ccc(Cl)cc1 ZINC000012338616 415149115 /nfs/dbraw/zinc/14/91/15/415149115.db2.gz XYHVDHOGTZELOX-UTUOFQBUSA-N 0 0 308.721 0.844 50 0 DCAARN CO[C@@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000014960943 415149440 /nfs/dbraw/zinc/14/94/40/415149440.db2.gz RTVWBDNQHISFHI-MCNNAKBESA-N 0 0 304.295 0.173 50 0 DCAARN COc1ccc(S(=O)(=O)NCc2ccco2)cc1C(N)=O ZINC000026744193 415168300 /nfs/dbraw/zinc/16/83/00/415168300.db2.gz IRROMWBIDDBLAF-UHFFFAOYSA-N 0 0 310.331 0.866 50 0 DCAARN COC(=O)[C@H]1CCCCN1CCn1nc2ccccn2c1=O ZINC000026910422 415168336 /nfs/dbraw/zinc/16/83/36/415168336.db2.gz UHOASVNRVAOVBJ-GFCCVEGCSA-N 0 0 304.350 0.524 50 0 DCAARN C[C@@H]1CN(CCOc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 ZINC000027270167 415168978 /nfs/dbraw/zinc/16/89/78/415168978.db2.gz LXLIOUXEOPUVRB-VXGBXAGGSA-N 0 0 314.407 0.822 50 0 DCAARN Cc1cccc(OC[C@H](O)CN2CCN(CCO)CC2)c1C ZINC000026780491 415170516 /nfs/dbraw/zinc/17/05/16/415170516.db2.gz DEUUWULPTJQSML-MRXNPFEDSA-N 0 0 308.422 0.653 50 0 DCAARN C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)[C@@H]1CCCO1 ZINC000027888596 415171509 /nfs/dbraw/zinc/17/15/09/415171509.db2.gz KGFYLJJNARQADR-JQWIXIFHSA-N 0 0 304.412 0.342 50 0 DCAARN CC(C)c1noc([C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000027775791 415174141 /nfs/dbraw/zinc/17/41/41/415174141.db2.gz FDGNQPMHFAPINV-MRVPVSSYSA-N 0 0 318.337 0.549 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccn(-c2ccc(F)cc2)n1 ZINC000031613355 415184352 /nfs/dbraw/zinc/18/43/52/415184352.db2.gz ZHYKTEJPSNKLHK-NSHDSACASA-N 0 0 323.349 0.928 50 0 DCAARN O=C1NCCCC[C@H]1NS(=O)(=O)N1CCc2ccccc2C1 ZINC000044935853 415234098 /nfs/dbraw/zinc/23/40/98/415234098.db2.gz FWGRYIRYVMERCR-CQSZACIVSA-N 0 0 323.418 0.548 50 0 DCAARN COCCn1nc(C(=O)NCc2ccc(C)nc2)ccc1=O ZINC000044945320 415235692 /nfs/dbraw/zinc/23/56/92/415235692.db2.gz IIQGNJAASJJYSP-UHFFFAOYSA-N 0 0 302.334 0.523 50 0 DCAARN CCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cn1 ZINC000045037483 415242742 /nfs/dbraw/zinc/24/27/42/415242742.db2.gz ZSGFCMIJCJQCAF-UHFFFAOYSA-N 0 0 318.333 0.295 50 0 DCAARN C[C@@H](C(=O)NCc1ccc(Cn2cccn2)cc1)S(C)(=O)=O ZINC000045882455 415255132 /nfs/dbraw/zinc/25/51/32/415255132.db2.gz TVFIHQRTMAOUOJ-LBPRGKRZSA-N 0 0 321.402 0.981 50 0 DCAARN CSc1ccccc1NC(=O)C(=O)NC[C@]1(O)CCOC1 ZINC000270160158 415256221 /nfs/dbraw/zinc/25/62/21/415256221.db2.gz SGFHEAHJXNFSPR-CQSZACIVSA-N 0 0 310.375 0.615 50 0 DCAARN C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCCO1 ZINC000046219888 415259705 /nfs/dbraw/zinc/25/97/05/415259705.db2.gz TVFTZUVZMWGIMY-QJPTWQEYSA-N 0 0 304.412 0.342 50 0 DCAARN C[C@H](NC(=O)NC[C@H](O)COc1ccccc1)c1nncn1C ZINC000046963168 415261904 /nfs/dbraw/zinc/26/19/04/415261904.db2.gz VAZFPDPJCRIFGM-RYUDHWBXSA-N 0 0 319.365 0.615 50 0 DCAARN CCn1cnnc1CNC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000047021478 415266433 /nfs/dbraw/zinc/26/64/33/415266433.db2.gz GNHKNNRGAKBQLU-UHFFFAOYSA-N 0 0 322.390 0.773 50 0 DCAARN Cc1ccc(-n2cnnn2)cc1NC(=O)NCC(=O)N(C)C ZINC000047929917 415279597 /nfs/dbraw/zinc/27/95/97/415279597.db2.gz IUGDKZLKMDPATJ-UHFFFAOYSA-N 0 0 303.326 0.180 50 0 DCAARN Cc1cc(CN2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)on1 ZINC000044610457 415226174 /nfs/dbraw/zinc/22/61/74/415226174.db2.gz XRQADQKBAPQESP-UHFFFAOYSA-N 0 0 316.361 0.640 50 0 DCAARN CN1N=C(C(=O)N2CCN(Cc3ccncc3)CC2)CCC1=O ZINC000044889445 415229853 /nfs/dbraw/zinc/22/98/53/415229853.db2.gz QPLKXHBHFADWBY-UHFFFAOYSA-N 0 0 315.377 0.334 50 0 DCAARN CNC(=O)CN(C)S(=O)(=O)c1c(C)cc(OC)cc1C ZINC000044915138 415231024 /nfs/dbraw/zinc/23/10/24/415231024.db2.gz AMZYAHIVSIIQOG-UHFFFAOYSA-N 0 0 300.380 0.679 50 0 DCAARN C[C@@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1nnc2n1CCC2 ZINC000048253535 415288184 /nfs/dbraw/zinc/28/81/84/415288184.db2.gz MKJKZXLZAPGJIC-PWSUYJOCSA-N 0 0 317.393 0.660 50 0 DCAARN Cc1cc(C)n(C[C@@H](C)CNC(=O)CN(C)S(C)(=O)=O)n1 ZINC000048410076 415289320 /nfs/dbraw/zinc/28/93/20/415289320.db2.gz IJNLPROCQJVPFC-JTQLQIEISA-N 0 0 316.427 0.144 50 0 DCAARN COCCOc1ccc(CNC(=O)[C@H]2CCC(=O)NC2)cn1 ZINC000048390414 415292718 /nfs/dbraw/zinc/29/27/18/415292718.db2.gz WUGOIVJVWKMNJR-LBPRGKRZSA-N 0 0 307.350 0.249 50 0 DCAARN COC(=O)CCCN(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000051768906 415316132 /nfs/dbraw/zinc/31/61/32/415316132.db2.gz WUYYZFJVQRQFKG-GHMZBOCLSA-N 0 0 308.400 0.225 50 0 DCAARN CC(C)CS(=O)(=O)CC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000071829537 415411443 /nfs/dbraw/zinc/41/14/43/415411443.db2.gz PQQKSSOGWHDONR-QWRGUYRKSA-N 0 0 304.412 0.170 50 0 DCAARN CC(C)N1C[C@@H](NC(=O)N[C@H](C)CN2CCOCC2)CC1=O ZINC000072293237 415415269 /nfs/dbraw/zinc/41/52/69/415415269.db2.gz NDYVYDAWJIEPBS-OLZOCXBDSA-N 0 0 312.414 0.016 50 0 DCAARN CCN(C(=O)CN1CCCC[C@H]1C(=O)N1CCOCC1)C1CC1 ZINC000066892448 415370714 /nfs/dbraw/zinc/37/07/14/415370714.db2.gz QONLPVIPCAZOGU-HNNXBMFYSA-N 0 0 323.437 0.711 50 0 DCAARN COc1ccc(Cl)cc1S(=O)(=O)NCCn1cncn1 ZINC000278845667 415494933 /nfs/dbraw/zinc/49/49/33/415494933.db2.gz SATHBEDTWHIBDS-UHFFFAOYSA-N 0 0 316.770 0.919 50 0 DCAARN Cn1nc(C(=O)OCC(=O)N2CCc3ccccc32)ccc1=O ZINC000084303296 415495719 /nfs/dbraw/zinc/49/57/19/415495719.db2.gz APMYEJCJMCDASC-UHFFFAOYSA-N 0 0 313.313 0.526 50 0 DCAARN COCCn1ccc(NC(=O)C(=O)NC[C@H]2CC=CCC2)n1 ZINC000075105772 415431987 /nfs/dbraw/zinc/43/19/87/415431987.db2.gz YOKJRQVUHZRYIS-LBPRGKRZSA-N 0 0 306.366 0.941 50 0 DCAARN COc1ccc(O[C@@H](C)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000075106075 415435228 /nfs/dbraw/zinc/43/52/28/415435228.db2.gz YINZTGNGXRKTJG-NWDGAFQWSA-N 0 0 319.361 0.699 50 0 DCAARN O=C(Cc1ccc(OCCC2OCCCO2)cc1)NCCO ZINC000075109793 415437086 /nfs/dbraw/zinc/43/70/86/415437086.db2.gz GYKLHKCYEPYPHH-UHFFFAOYSA-N 0 0 309.362 0.870 50 0 DCAARN O=C(CN1C(=O)CCC1=O)NC[C@]1(O)CCc2ccccc21 ZINC000075155650 415438049 /nfs/dbraw/zinc/43/80/49/415438049.db2.gz FACBUEJZLJZINU-MRXNPFEDSA-N 0 0 302.330 0.086 50 0 DCAARN COc1ccc(OC)c(CCC(=O)N2CCN(CCO)CC2)c1 ZINC000075572252 415447829 /nfs/dbraw/zinc/44/78/29/415447829.db2.gz MWIRVUKEUVMAKB-UHFFFAOYSA-N 0 0 322.405 0.773 50 0 DCAARN C[C@H]1CN(C(=O)c2ccc3nncn3c2)C[C@@H]1N1CCOCC1 ZINC000078896749 415472367 /nfs/dbraw/zinc/47/23/67/415472367.db2.gz XSEOCTJFYMTGHF-JSGCOSHPSA-N 0 0 315.377 0.522 50 0 DCAARN NS(=O)(=O)CCNC(=O)Nc1ccccc1OC(F)F ZINC000095351465 415549575 /nfs/dbraw/zinc/54/95/75/415549575.db2.gz PJEXYFKMIMUGLZ-UHFFFAOYSA-N 0 0 309.294 0.698 50 0 DCAARN Nc1nc(N2CCC3(CC2)OCCC[C@H]3O)cc2nncn21 ZINC000095355057 415554487 /nfs/dbraw/zinc/55/44/87/415554487.db2.gz YMYITGGRQWLQAX-SNVBAGLBSA-N 0 0 304.354 0.217 50 0 DCAARN COc1cccc2c1OC[C@H](C(=O)NCCN1CCNC1=O)C2 ZINC000095356061 415554861 /nfs/dbraw/zinc/55/48/61/415554861.db2.gz UASQMPLIAONINW-GFCCVEGCSA-N 0 0 319.361 0.388 50 0 DCAARN CCc1ncc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cn1 ZINC000095383871 415556460 /nfs/dbraw/zinc/55/64/60/415556460.db2.gz REFZZLIMHUULRX-AWEZNQCLSA-N 0 0 304.394 0.976 50 0 DCAARN CS(=O)(=O)N1CCO[C@@H](CNc2nnc(C3CCC3)o2)C1 ZINC000095378648 415558266 /nfs/dbraw/zinc/55/82/66/415558266.db2.gz JPGNZGIILQRWDY-JTQLQIEISA-N 0 0 316.383 0.409 50 0 DCAARN Cc1nnnn1-c1cccc(C(=O)N2CCc3[nH]cnc3C2)c1 ZINC000095382062 415558833 /nfs/dbraw/zinc/55/88/33/415558833.db2.gz LUAXJKMCKGZZNQ-UHFFFAOYSA-N 0 0 309.333 0.892 50 0 DCAARN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCCn2cncn2)on1 ZINC000095373035 415559462 /nfs/dbraw/zinc/55/94/62/415559462.db2.gz FEAYNCNWUYPVAE-OCCSQVGLSA-N 0 0 319.365 0.729 50 0 DCAARN Cc1nonc1OCCNc1nc(C)ncc1S(C)(=O)=O ZINC000095383527 415560224 /nfs/dbraw/zinc/56/02/24/415560224.db2.gz MZWKQHJXZDZFBI-UHFFFAOYSA-N 0 0 313.339 0.371 50 0 DCAARN CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1cc(F)cc(F)c1 ZINC000095941946 415565892 /nfs/dbraw/zinc/56/58/92/415565892.db2.gz ZENHMRFYKSISGI-GFCCVEGCSA-N 0 0 323.317 0.557 50 0 DCAARN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C(N)=O)O1 ZINC000095965830 415569149 /nfs/dbraw/zinc/56/91/49/415569149.db2.gz RDUWMFKEYVUARV-PELKAZGASA-N 0 0 307.306 0.522 50 0 DCAARN CC[C@@H](C)c1nc(CC(=O)N2CCS(=O)(=O)CC2)no1 ZINC000333151845 415571539 /nfs/dbraw/zinc/57/15/39/415571539.db2.gz GVSZIRFXGZZYOZ-SECBINFHSA-N 0 0 301.368 0.383 50 0 DCAARN O=C(N[C@H]1CCCOC1)N1CC(=O)N(CCC(F)(F)F)C1 ZINC000333307358 415606988 /nfs/dbraw/zinc/60/69/88/415606988.db2.gz DBBMWMZBAWVSIM-VIFPVBQESA-N 0 0 309.288 0.929 50 0 DCAARN Cc1noc([C@H]2CCCN([C@H](C)C(=O)N3CCOCC3)C2)n1 ZINC000106827951 415648206 /nfs/dbraw/zinc/64/82/06/415648206.db2.gz VSLXECMFJVIODN-YPMHNXCESA-N 0 0 308.382 0.805 50 0 DCAARN CN(C1CCCCC1)S(=O)(=O)N1CCCC[C@@H]1C(N)=O ZINC000096839876 415580294 /nfs/dbraw/zinc/58/02/94/415580294.db2.gz ULBMDVPKHMYZNU-GFCCVEGCSA-N 0 0 303.428 0.836 50 0 DCAARN CC(C)N1C(Br)=N[C@H]2[C@@H]1C(=O)N(C)C(=O)N2C ZINC000098086599 415588685 /nfs/dbraw/zinc/58/86/85/415588685.db2.gz QZCQGBJAOFXFKU-RNFRBKRXSA-N 0 0 303.160 0.680 50 0 DCAARN CCN(C)[C@@H](C(=O)O[C@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC000106872492 415652313 /nfs/dbraw/zinc/65/23/13/415652313.db2.gz SMGGKXCBFQDLNG-ZYHUDNBSSA-N 0 0 307.350 0.806 50 0 DCAARN C[C@H](O)C(=O)N1CCN(CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000153044336 415975333 /nfs/dbraw/zinc/97/53/33/415975333.db2.gz ITDRHTOWVSNQAT-LBPRGKRZSA-N 0 0 323.368 0.679 50 0 DCAARN CN(C[C@@H](O)CN1CCOCC1)c1noc(-c2ccccc2)n1 ZINC000157910966 416000172 /nfs/dbraw/zinc/00/01/72/416000172.db2.gz KWEJWYJEHLTWOQ-CQSZACIVSA-N 0 0 318.377 0.866 50 0 DCAARN CCn1cc(NC(=O)N[C@H]2CCCN(c3cnccn3)C2)nn1 ZINC000299760923 416063952 /nfs/dbraw/zinc/06/39/52/416063952.db2.gz SGAYBLUQHFZCGQ-NSHDSACASA-N 0 0 316.369 0.879 50 0 DCAARN CC(C)c1nccn1CCCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000299765298 416065569 /nfs/dbraw/zinc/06/55/69/416065569.db2.gz LUASWFPBGTWZPO-UHFFFAOYSA-N 0 0 319.365 0.626 50 0 DCAARN CSc1ncccc1C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC000299767163 416066458 /nfs/dbraw/zinc/06/64/58/416066458.db2.gz GMOJTMSNIBNMOW-SECBINFHSA-N 0 0 315.420 0.554 50 0 DCAARN O=C(c1ccc(CO)o1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299775892 416066751 /nfs/dbraw/zinc/06/67/51/416066751.db2.gz LNIBPMYNICKXBE-AAEUAGOBSA-N 0 0 304.306 0.349 50 0 DCAARN CC(C)N1C[C@@H](C(=O)NCc2cnc3cnccn23)CCC1=O ZINC000299782758 416067683 /nfs/dbraw/zinc/06/76/83/416067683.db2.gz QFJRNCJAQGRSJY-LBPRGKRZSA-N 0 0 315.377 0.993 50 0 DCAARN Nc1nc(CCC(=O)N2CCc3nc[nH]c(=O)c3CC2)cs1 ZINC000299781081 416068066 /nfs/dbraw/zinc/06/80/66/416068066.db2.gz DVJPDCFZGXWZEZ-UHFFFAOYSA-N 0 0 319.390 0.781 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)Nc2ccc3n[nH]cc3c2)CC1 ZINC000299779573 416068160 /nfs/dbraw/zinc/06/81/60/416068160.db2.gz QWKHZLVGVKJSNB-UHFFFAOYSA-N 0 0 323.378 0.672 50 0 DCAARN CCCn1cc(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)c(C)n1 ZINC000299789491 416070128 /nfs/dbraw/zinc/07/01/28/416070128.db2.gz YGZBWKQQECTADZ-LLVKDONJSA-N 0 0 314.411 0.352 50 0 DCAARN O=C(Cn1cccc1)NC1CCN(CC(=O)NC2CC2)CC1 ZINC000299786822 416070288 /nfs/dbraw/zinc/07/02/88/416070288.db2.gz XSPUQSZDZZWCIQ-UHFFFAOYSA-N 0 0 304.394 0.347 50 0 DCAARN CCOCC(=O)N1CCC(C(=O)NCc2nonc2C)CC1 ZINC000299799143 416071175 /nfs/dbraw/zinc/07/11/75/416071175.db2.gz DMLLAYJNFGTIMQ-UHFFFAOYSA-N 0 0 310.354 0.269 50 0 DCAARN Cc1csc(CCCNC(=O)[C@H]2CCC(=O)NC(=O)N2)n1 ZINC000299802036 416071747 /nfs/dbraw/zinc/07/17/47/416071747.db2.gz RFQWEMSJNBKWNO-SECBINFHSA-N 0 0 310.379 0.489 50 0 DCAARN CCN1CCNC(=O)[C@@H]1CC(=O)N1CCCn2nc(C)cc2C1 ZINC000299802650 416072006 /nfs/dbraw/zinc/07/20/06/416072006.db2.gz UYVLFLIPSBSXGN-AWEZNQCLSA-N 0 0 319.409 0.134 50 0 DCAARN C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)[C@@H](c2ccccc2)CO1 ZINC000182243925 416216218 /nfs/dbraw/zinc/21/62/18/416216218.db2.gz RPNMUJOVQPBPNO-GXTWGEPZSA-N 0 0 316.361 0.570 50 0 DCAARN CC(C)NS(=O)(=O)NCCNC(=O)CC1=CCCCC1 ZINC000331168190 416277028 /nfs/dbraw/zinc/27/70/28/416277028.db2.gz NYOVZCIHIMKLES-UHFFFAOYSA-N 0 0 303.428 0.826 50 0 DCAARN Cc1ccc(NC(=O)COc2c(C)n(CCO)ccc2=O)nc1 ZINC000263587972 416338332 /nfs/dbraw/zinc/33/83/32/416338332.db2.gz NSAYCPOFDVXFMH-UHFFFAOYSA-N 0 0 317.345 0.870 50 0 DCAARN Cc1nc(C(=O)N[C@H](C)CC(N)=O)nn1-c1ccc(F)cc1 ZINC000359721277 416355294 /nfs/dbraw/zinc/35/52/94/416355294.db2.gz YYXZSWAOCRGDOM-MRVPVSSYSA-N 0 0 305.313 0.709 50 0 DCAARN Cc1nc(CC(C)C)cc(C(=O)N[C@@H](C)c2nc(=O)[n-][nH]2)n1 ZINC000215379716 416327028 /nfs/dbraw/zinc/32/70/28/416327028.db2.gz WLCXYSRHCDXQHJ-QMMMGPOBSA-N 0 0 304.354 0.886 50 0 DCAARN Cn1c2ccc(CNC(=O)c3ccc(N)nc3)cc2n(C)c1=O ZINC000215310941 416327142 /nfs/dbraw/zinc/32/71/42/416327142.db2.gz WRGHLMUJTIZMCK-UHFFFAOYSA-N 0 0 311.345 0.784 50 0 DCAARN CS(=O)(=O)C[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1 ZINC000215605949 416327182 /nfs/dbraw/zinc/32/71/82/416327182.db2.gz NYKKYHSDUDPWMK-JTQLQIEISA-N 0 0 311.407 0.795 50 0 DCAARN Cc1nnc([C@H](C)NC(=O)c2ccc(S(N)(=O)=O)cc2)o1 ZINC000215024760 416327227 /nfs/dbraw/zinc/32/72/27/416327227.db2.gz DQXFATWLJQAGLX-ZETCQYMHSA-N 0 0 310.335 0.516 50 0 DCAARN Cc1nnc([C@@H]2CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)[nH]1 ZINC000216342585 416327341 /nfs/dbraw/zinc/32/73/41/416327341.db2.gz HOEPYQMKTKTRPJ-VIFPVBQESA-N 0 0 320.353 0.107 50 0 DCAARN COCc1cc(CN(C)c2nccc(N3CC[C@@H](O)C3)n2)[nH]n1 ZINC000216366062 416327505 /nfs/dbraw/zinc/32/75/05/416327505.db2.gz QGRPBKRQBNIVAD-CYBMUJFWSA-N 0 0 318.381 0.554 50 0 DCAARN CCc1nc(C)cc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1 ZINC000225823125 416327736 /nfs/dbraw/zinc/32/77/36/416327736.db2.gz XPWZVRYIJNZHHU-UHFFFAOYSA-N 0 0 303.366 0.868 50 0 DCAARN O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1COCCN1 ZINC000237907278 416329290 /nfs/dbraw/zinc/32/92/90/416329290.db2.gz MWJDTMOFEJSKCQ-NWDGAFQWSA-N 0 0 323.780 0.550 50 0 DCAARN Cc1ccc(C(=O)N[C@H]2C[C@H](c3nnc(CO)n3C)C2)c(O)c1 ZINC000243900981 416330303 /nfs/dbraw/zinc/33/03/03/416330303.db2.gz AYCDNBOSNSZSFJ-XYPYZODXSA-N 0 0 316.361 0.997 50 0 DCAARN CC(C)Cn1ncnc1CN1C(=O)N[C@@]2(CCSC2)C1=O ZINC000241969564 416330482 /nfs/dbraw/zinc/33/04/82/416330482.db2.gz UXNFARADMGHKSL-CYBMUJFWSA-N 0 0 309.395 0.862 50 0 DCAARN Cc1cnccc1C(=O)N[C@H]1C[C@@H](c2nnc(CO)n2C)C1 ZINC000244794801 416331018 /nfs/dbraw/zinc/33/10/18/416331018.db2.gz QTUXVZQPYQJHPW-PHIMTYICSA-N 0 0 301.350 0.687 50 0 DCAARN CCc1cnccc1C(=O)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583618914 416477631 /nfs/dbraw/zinc/47/76/31/416477631.db2.gz GYXBXCJCPPLLIR-OAHLLOKOSA-N 0 0 301.350 0.886 50 0 DCAARN Cc1cc(C)n(CC(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)n1 ZINC000583617827 416478029 /nfs/dbraw/zinc/47/80/29/416478029.db2.gz WEPWJPNAWLFYOT-AWEZNQCLSA-N 0 0 304.354 0.128 50 0 DCAARN Cc1cc(C)n(CC(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)n1 ZINC000583617828 416479233 /nfs/dbraw/zinc/47/92/33/416479233.db2.gz WEPWJPNAWLFYOT-CQSZACIVSA-N 0 0 304.354 0.128 50 0 DCAARN NC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O ZINC000583648286 416480503 /nfs/dbraw/zinc/48/05/03/416480503.db2.gz OHKMKGMJLVPSMH-UHFFFAOYSA-N 0 0 316.292 0.280 50 0 DCAARN Cc1ccc(Cl)cc1NC(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000585120129 416518294 /nfs/dbraw/zinc/51/82/94/416518294.db2.gz UGGKPZGCVMAMAN-AOOOYVTPSA-N 0 0 324.768 0.699 50 0 DCAARN CCc1c[nH]c(=O)c(C(=O)N2CCC[C@@]2(COC)C(=O)NC)c1 ZINC000585110744 416518392 /nfs/dbraw/zinc/51/83/92/416518392.db2.gz PFEJZZLXTWRVIR-MRXNPFEDSA-N 0 0 321.377 0.717 50 0 DCAARN C[C@@H](NS(=O)(=O)c1cccc2c1OCC2)C1N=NC(=O)N1C ZINC000585114442 416518589 /nfs/dbraw/zinc/51/85/89/416518589.db2.gz ADUQHMNBDVJRQH-MRVPVSSYSA-N 0 0 324.362 0.495 50 0 DCAARN COC(=O)CCN1CC[C@H](N2C[C@H](O)Cc3ccccc32)C1=O ZINC000585094400 416518623 /nfs/dbraw/zinc/51/86/23/416518623.db2.gz ZZZNIMVBEMEIQT-HIFRSBDPSA-N 0 0 318.373 0.574 50 0 DCAARN Cc1c(C(=O)N[C@@H](C)c2nc(N)n[nH]2)cnn1-c1ccccn1 ZINC000426436454 416768564 /nfs/dbraw/zinc/76/85/64/416768564.db2.gz DFYYJBNEGPQNAT-QMMMGPOBSA-N 0 0 312.337 0.767 50 0 DCAARN Cc1nc(NCCSc2nnnn2C)cc([C@@H]2CCOC2)n1 ZINC000426698172 416781341 /nfs/dbraw/zinc/78/13/41/416781341.db2.gz DPJCWSWDUUYKJE-SNVBAGLBSA-N 0 0 321.410 1.017 50 0 DCAARN O[C@H](CN1CC[C@H](Nc2ccc3nccn3n2)C1)C(F)(F)F ZINC000408523380 417166472 /nfs/dbraw/zinc/16/64/72/417166472.db2.gz JRLWNUBKZFLNMG-VHSXEESVSA-N 0 0 315.299 1.139 50 0 DCAARN O[C@@H](CN1CC[C@H](Nc2ccc3nccn3n2)C1)C(F)(F)F ZINC000408523379 417166616 /nfs/dbraw/zinc/16/66/16/417166616.db2.gz JRLWNUBKZFLNMG-UWVGGRQHSA-N 0 0 315.299 1.139 50 0 DCAARN CC(C)(C)NC(=O)N1CC(n2cc(C(=O)N3CCCC3)nn2)C1 ZINC000575551213 417540436 /nfs/dbraw/zinc/54/04/36/417540436.db2.gz HGFPCBFNCUEAAQ-UHFFFAOYSA-N 0 0 320.397 0.879 50 0 DCAARN Cn1cc(S(=O)(=O)NC[C@H](c2ccco2)n2cccn2)cn1 ZINC000575614633 417540516 /nfs/dbraw/zinc/54/05/16/417540516.db2.gz ZLIMRMINAUMBTN-GFCCVEGCSA-N 0 0 321.362 0.778 50 0 DCAARN Cn1cc(S(=O)(=O)NC[C@@H](c2ccco2)n2cccn2)cn1 ZINC000575614634 417541234 /nfs/dbraw/zinc/54/12/34/417541234.db2.gz ZLIMRMINAUMBTN-LBPRGKRZSA-N 0 0 321.362 0.778 50 0 DCAARN O=C(NCCn1nc2c(cc1=O)CCC2)NC[C@@H]1CCCO1 ZINC000575609321 417542013 /nfs/dbraw/zinc/54/20/13/417542013.db2.gz VUMXPXLAHPDPIO-LBPRGKRZSA-N 0 0 306.366 0.210 50 0 DCAARN CC1(C)CNC(=O)[C@H]1NS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000660015939 418217791 /nfs/dbraw/zinc/21/77/91/418217791.db2.gz VJECDAIKKHWPHJ-YNEHKIRRSA-N 0 0 308.403 0.987 50 0 DCAARN COC1CCN(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000657011220 418402631 /nfs/dbraw/zinc/40/26/31/418402631.db2.gz LIVRCDWZNJDWGJ-CYBMUJFWSA-N 0 0 319.471 0.664 50 0 DCAARN O=C1OC[C@@H]2CN(CCS(=O)(=O)c3ccccc3)CCN12 ZINC000363858482 262135347 /nfs/dbraw/zinc/13/53/47/262135347.db2.gz RSSIAMNLEWVYDA-LBPRGKRZSA-N 0 0 310.375 0.597 50 0 DCAARN CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 ZINC000420746143 262384298 /nfs/dbraw/zinc/38/42/98/262384298.db2.gz YPZHRXGJCUMIRX-LLVKDONJSA-N 0 0 312.391 0.760 50 0 DCAARN NS(=O)(=O)c1ccc(/C=C\C(=O)NCCn2cccc2)cc1 ZINC000492387219 272127398 /nfs/dbraw/zinc/12/73/98/272127398.db2.gz PCDUZAOKFIGJGJ-YVMONPNESA-N 0 0 319.386 0.965 50 0 DCAARN C[C@@H](CC(=O)N1C[C@H](O)C[C@H]1C(N)=O)Cc1cccc(F)c1 ZINC000529779280 272712306 /nfs/dbraw/zinc/71/23/06/272712306.db2.gz KVRNMXAVAITQCE-HONMWMINSA-N 0 0 308.353 0.842 50 0 DCAARN CCC(=O)Nc1cc2c(cc1N(C)C)n(C)c(=O)c(=O)n2C ZINC000020572747 276204378 /nfs/dbraw/zinc/20/43/78/276204378.db2.gz FOAKDNGPTRRAQM-UHFFFAOYSA-N 0 0 304.350 0.652 50 0 DCAARN CN1CCc2c(sc3c2c(NCCO)nc2nnnn23)C1 ZINC000020533405 277187219 /nfs/dbraw/zinc/18/72/19/277187219.db2.gz URCDDWPIVGZRTF-UHFFFAOYSA-N 0 0 305.367 0.126 50 0 DCAARN COc1nccnc1N1CCC[C@@H](c2nccn2CC(N)=O)C1 ZINC000095502236 278098092 /nfs/dbraw/zinc/09/80/92/278098092.db2.gz YNGKSXBTIKFWJA-LLVKDONJSA-N 0 0 316.365 0.551 50 0 DCAARN CC(=O)NCCNC(=O)CCCNC(=O)NC1CCCCC1 ZINC000027672112 278114295 /nfs/dbraw/zinc/11/42/95/278114295.db2.gz YJFCSCPGYUUPHF-UHFFFAOYSA-N 0 0 312.414 0.651 50 0 DCAARN C[C@@H]1CC(=O)c2cnc3nc(N4CCOCC4)[nH]c(=O)c3c2C1 ZINC000019973966 278439396 /nfs/dbraw/zinc/43/93/96/278439396.db2.gz HFGCSMGPTXKKFX-VIFPVBQESA-N 0 0 314.345 0.920 50 0 DCAARN Cc1n[nH]cc1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000285226798 279061016 /nfs/dbraw/zinc/06/10/16/279061016.db2.gz PPSNPAHPKOKZQQ-MJBXVCDLSA-N 0 0 308.382 0.790 50 0 DCAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CC(=O)Nc2ncnn21 ZINC000009319754 280028933 /nfs/dbraw/zinc/02/89/33/280028933.db2.gz LGVWOVXQWDEIEV-VIFPVBQESA-N 0 0 315.289 0.571 50 0 DCAARN Cc1cccc([C@@H](C)NC(=O)C2CCN(CC(N)=O)CC2)n1 ZINC000091664302 281251946 /nfs/dbraw/zinc/25/19/46/281251946.db2.gz POBBYNZCUZSYBJ-GFCCVEGCSA-N 0 0 304.394 0.765 50 0 DCAARN Cc1nn(C)c2nc(C)c(C(=O)N3CCNC(=O)CC3)cc12 ZINC000071839541 293762923 /nfs/dbraw/zinc/76/29/23/293762923.db2.gz FMRASGXCEOLUQZ-UHFFFAOYSA-N 0 0 301.350 0.547 50 0 DCAARN Cn1cc(N2CC[C@@H](N3C(=O)N4CCC[C@@]4(C)C3=O)C2)cn1 ZINC000328587098 294251302 /nfs/dbraw/zinc/25/13/02/294251302.db2.gz YEHNBFZJESWPTC-ABAIWWIYSA-N 0 0 303.366 0.816 50 0 DCAARN C[C@@]1(C(=O)NCCCNS(C)(=O)=O)CC1(Cl)Cl ZINC000031217801 297868834 /nfs/dbraw/zinc/86/88/34/297868834.db2.gz IMHFAZHWVRZKJV-QMMMGPOBSA-N 0 0 303.211 0.626 50 0 DCAARN CCOc1ccc(S(=O)(=O)N[C@@H]2CCCNC2=O)cc1C ZINC000534588233 334292998 /nfs/dbraw/zinc/29/29/98/334292998.db2.gz YUVUSEISICYREO-GFCCVEGCSA-N 0 0 312.391 0.951 50 0 DCAARN O=S(=O)(N[C@H]1COC[C@@H]1N1CCCC1)c1cccc(F)c1 ZINC000534643524 334306130 /nfs/dbraw/zinc/30/61/30/334306130.db2.gz VFTSBRLLBQMQTC-KBPBESRZSA-N 0 0 314.382 0.967 50 0 DCAARN CCn1nccc1S(=O)(=O)N[C@@H](COC)c1ccccn1 ZINC000534630526 334307527 /nfs/dbraw/zinc/30/75/27/334307527.db2.gz WCEFTDYBXIQCQW-LBPRGKRZSA-N 0 0 310.379 0.964 50 0 DCAARN CC(=O)N1CCO[C@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000534632926 334308119 /nfs/dbraw/zinc/30/81/19/334308119.db2.gz LJSATQQGFFIKNW-CQSZACIVSA-N 0 0 312.391 0.353 50 0 DCAARN CC(=O)N1CCO[C@@H](CNS(=O)(=O)CC2CCCC2)C1 ZINC000534660363 334315817 /nfs/dbraw/zinc/31/58/17/334315817.db2.gz PIXBWMUEXCNUFC-ZDUSSCGKSA-N 0 0 304.412 0.343 50 0 DCAARN CN1CC[C@@H](NC(=O)N2CCC(Cn3ccnc3)CC2)C1=O ZINC000534675239 334320558 /nfs/dbraw/zinc/32/05/58/334320558.db2.gz UCKJPRJHFYEWHJ-CYBMUJFWSA-N 0 0 305.382 0.535 50 0 DCAARN CN(C(=O)CCN1CCCS1(=O)=O)c1ncccc1F ZINC000178353656 341952528 /nfs/dbraw/zinc/95/25/28/341952528.db2.gz YFVFZDJUOSQLLX-UHFFFAOYSA-N 0 0 301.343 0.609 50 0 DCAARN Cc1cc(F)ccc1-n1cc(C(=O)N2CCS(=O)CC2)nn1 ZINC000179448677 524961460 /nfs/dbraw/zinc/96/14/60/524961460.db2.gz FMYFPAWJEGPTGD-UHFFFAOYSA-N 0 0 322.365 0.919 50 0 DCAARN CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCCN=S(C)(C)=O ZINC000408523918 526417517 /nfs/dbraw/zinc/41/75/17/526417517.db2.gz WDSCWRXXYWRLFH-SNVBAGLBSA-N 0 0 319.427 0.840 50 0 DCAARN C=CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000408525949 526915702 /nfs/dbraw/zinc/91/57/02/526915702.db2.gz VWWXEZSAGVHPLX-CQSZACIVSA-N 0 0 302.330 0.683 50 0 DCAARN C=CC(=O)N1CC[C@@H](N(C)Cc2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000328597411 526916036 /nfs/dbraw/zinc/91/60/36/526916036.db2.gz GXUDSQZEVYEOFP-GFCCVEGCSA-N 0 0 305.382 0.467 50 0 DCAARN CC(=O)c1ccc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000328587401 527331963 /nfs/dbraw/zinc/33/19/63/527331963.db2.gz MNSLINAKGINRAM-AWEZNQCLSA-N 0 0 324.402 0.594 50 0 DCAARN CCOCC(=O)N1CCC(C(=O)NCCc2cc[nH]n2)CC1 ZINC000299762661 528556082 /nfs/dbraw/zinc/55/60/82/528556082.db2.gz WCHQOGOFZPGEEA-UHFFFAOYSA-N 0 0 308.382 0.344 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1cc[nH]n1 ZINC000330723330 528806673 /nfs/dbraw/zinc/80/66/73/528806673.db2.gz CWMCUIQQCDLLJF-GFCCVEGCSA-N 0 0 314.411 0.572 50 0 DCAARN O=C(CCCc1cn[nH]c1)N1CCN(CCn2cncn2)CC1 ZINC000082096235 545696621 /nfs/dbraw/zinc/69/66/21/545696621.db2.gz BPZAPKLBRMTMOR-UHFFFAOYSA-N 0 0 317.397 0.168 50 0 DCAARN CSc1nnc(CN(C)C[C@@H](O)CN2CCOCC2)s1 ZINC000083246006 545698117 /nfs/dbraw/zinc/69/81/17/545698117.db2.gz JNFRHZSKCLTXOP-SNVBAGLBSA-N 0 0 318.468 0.385 50 0 DCAARN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C)CCN1C(=O)[C@H]1C[C@@H]1C ZINC000084792576 545703595 /nfs/dbraw/zinc/70/35/95/545703595.db2.gz BAVXYYZHZWSQNY-HPCHECBXSA-N 0 0 322.405 0.901 50 0 DCAARN COC(=O)[C@H](C)NC(=O)CCc1nc2ccccc2[nH]c1=O ZINC000085432608 545704573 /nfs/dbraw/zinc/70/45/73/545704573.db2.gz XWVSCLHSHXFCDB-VIFPVBQESA-N 0 0 303.318 0.533 50 0 DCAARN CC(=O)Nc1cc(S(=O)(=O)N[C@H]2CCOC2)ccc1F ZINC000178821459 545897084 /nfs/dbraw/zinc/89/70/84/545897084.db2.gz IPHRDQMKOYPDNB-VIFPVBQESA-N 0 0 302.327 0.851 50 0 DCAARN CC(=O)NCC(=O)N1CCC(Oc2cc(C)oc(=O)c2)CC1 ZINC000206974487 545936315 /nfs/dbraw/zinc/93/63/15/545936315.db2.gz TYBNCEQSPYFGRF-UHFFFAOYSA-N 0 0 308.334 0.454 50 0 DCAARN COc1ccccc1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000215989427 545938443 /nfs/dbraw/zinc/93/84/43/545938443.db2.gz IVPZVMZITSNBJW-DGCLKSJQSA-N 0 0 313.375 0.166 50 0 DCAARN O=C([O-])COc1ccc(C[N@H+]2CCC[C@](O)(CO)CC2)cc1 ZINC000215954047 545938779 /nfs/dbraw/zinc/93/87/79/545938779.db2.gz XALTWITZZUGQFM-MRXNPFEDSA-N 0 0 309.362 0.859 50 0 DCAARN O=C(CN1C(=O)CNC1=O)N1CCC(Oc2cccnc2)CC1 ZINC000215894031 545939030 /nfs/dbraw/zinc/93/90/30/545939030.db2.gz KTUGKZKOCBRTDY-UHFFFAOYSA-N 0 0 318.333 0.003 50 0 DCAARN O=C(Cn1nccn1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 ZINC000222605340 545941884 /nfs/dbraw/zinc/94/18/84/545941884.db2.gz MBAYXPFVXFZVBT-CABCVRRESA-N 0 0 316.361 0.769 50 0 DCAARN CC(=O)NCC(=O)N1C[C@@H](c2ccccc2)[C@H](c2ncon2)C1 ZINC000238815935 545959932 /nfs/dbraw/zinc/95/99/32/545959932.db2.gz BLXAOZGTGXKTSD-UONOGXRCSA-N 0 0 314.345 0.915 50 0 DCAARN Cn1nnnc1SCC(=O)N1CC[C@H](Oc2ccccn2)C1 ZINC000238817209 545960153 /nfs/dbraw/zinc/96/01/53/545960153.db2.gz BTHVHFLLKRLIOO-JTQLQIEISA-N 0 0 320.378 0.377 50 0 DCAARN CO[C@]12CCN(C(=O)CCc3nncn3C)[C@H]1C[C@@H](O)CC2 ZINC000299777067 546016233 /nfs/dbraw/zinc/01/62/33/546016233.db2.gz IIDASHSUIGYNGJ-SLEUVZQESA-N 0 0 308.382 0.279 50 0 DCAARN C[C@H]1CCc2ccccc2N1C(=O)CN1CCN(C)S1(=O)=O ZINC000333127023 546072423 /nfs/dbraw/zinc/07/24/23/546072423.db2.gz AKBMMVJDGFBSBN-LBPRGKRZSA-N 0 0 323.418 0.847 50 0 DCAARN CN(CC(=O)NCC1CCCCC1)CC(=O)N1CCN(C)CC1 ZINC000584908438 546303126 /nfs/dbraw/zinc/30/31/26/546303126.db2.gz WHQQAJNNBKQXMP-UHFFFAOYSA-N 0 0 324.469 0.389 50 0 DCAARN Cc1nc[nH]c1C(=O)NC1CCN(C(=O)N2CCOCC2)CC1 ZINC000670441933 547092148 /nfs/dbraw/zinc/09/21/48/547092148.db2.gz OLZSSQJVNOEANR-UHFFFAOYSA-N 0 0 321.381 0.365 50 0 DCAARN COC[C@@H]1CCCN1S(=O)(=O)NCc1csc(C)n1 ZINC000670454175 547096287 /nfs/dbraw/zinc/09/62/87/547096287.db2.gz ZQVVMBMRHCBPQO-NSHDSACASA-N 0 0 305.425 0.897 50 0 DCAARN C[C@@](O)(CCCO)CNC(=O)CCN1CCCCCC1=O ZINC000670455957 547097781 /nfs/dbraw/zinc/09/77/81/547097781.db2.gz MREYWXZTCJTQAX-OAHLLOKOSA-N 0 0 300.399 0.419 50 0 DCAARN CCn1nc(CO)c2c1CCN(Cc1nc(COC)no1)C2 ZINC000670463611 547098358 /nfs/dbraw/zinc/09/83/58/547098358.db2.gz BUWZSUCPQIRUSZ-UHFFFAOYSA-N 0 0 307.354 0.483 50 0 DCAARN CC(C)N(C)S(=O)(=O)NCc1nc(-c2ccccn2)no1 ZINC000670461067 547098942 /nfs/dbraw/zinc/09/89/42/547098942.db2.gz SGUUQRWRGHVCCW-UHFFFAOYSA-N 0 0 311.367 0.806 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)CCS(C)(=O)=O)nc2c1 ZINC000670473694 547102420 /nfs/dbraw/zinc/10/24/20/547102420.db2.gz IMWWCHRMSKWYCF-UHFFFAOYSA-N 0 0 311.363 0.622 50 0 DCAARN Cc1ccc(C(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)cn1 ZINC000685943238 548747683 /nfs/dbraw/zinc/74/76/83/548747683.db2.gz UCOMDAYJEXMIMR-BFHYXJOUSA-N 0 0 315.377 0.803 50 0 DCAARN C/C=C/C[N@@H+]1CCN(c2nc(C(N)=O)cs2)C[C@@H](C(=O)[O-])C1 ZINC000217170332 563713153 /nfs/dbraw/zinc/71/31/53/563713153.db2.gz XSMVDKZBHKLSME-PBKGFPTLSA-N 0 0 324.406 0.641 50 0 DCAARN Cc1ccc(F)c(CN2CC(=O)N3CC[C@@H](O)C[C@H]3C2=O)c1F ZINC000065530189 658234782 /nfs/dbraw/zinc/23/47/82/658234782.db2.gz VLRWJWHNLFJPKN-MFKMUULPSA-N 0 0 324.327 0.967 50 0 DCAARN COCCN1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1=O ZINC000179480155 658506440 /nfs/dbraw/zinc/50/64/40/658506440.db2.gz SPYOORKNLSBKTC-AWEZNQCLSA-N 0 0 318.373 0.555 50 0 DCAARN CCOC1CC(CNC(=O)c2cnccn2)(N2CCOCC2)C1 ZINC000195190951 659537629 /nfs/dbraw/zinc/53/76/29/659537629.db2.gz CYXFSPACJKPWTG-UHFFFAOYSA-N 0 0 320.393 0.476 50 0 DCAARN O=C(Cc1n[nH]c(=O)[n-]1)N1CCC([NH+]2CCSCC2)CC1 ZINC000426434180 661587090 /nfs/dbraw/zinc/58/70/90/661587090.db2.gz YHEWNFJNPKEDMG-UHFFFAOYSA-N 0 0 311.411 0.093 50 0 DCAARN COCCN1C[C@H](C(=O)N(C)Cc2c(C)noc2C)CC1=O ZINC000047644387 661686359 /nfs/dbraw/zinc/68/63/59/661686359.db2.gz KTQFBFREXNTNAX-GFCCVEGCSA-N 0 0 309.366 0.745 50 0 DCAARN Cn1ccnc1C(=O)NC[C@@H](c1cccnc1)N1CCOCC1 ZINC000952966045 665829512 /nfs/dbraw/zinc/82/95/12/665829512.db2.gz DAERSSQLOPBVJG-AWEZNQCLSA-N 0 0 315.377 0.618 50 0 DCAARN COCCN1CC[C@H](N2CCN(Cc3cccnc3)CC2)C1=O ZINC000169748581 664558856 /nfs/dbraw/zinc/55/88/56/664558856.db2.gz AOHDWOIHLYMUAJ-INIZCTEOSA-N 0 0 318.421 0.447 50 0 DCAARN CN1CCN(C(=O)[C@H]2CCN(c3ccccc3)C2=O)CC1=O ZINC000011844462 666232431 /nfs/dbraw/zinc/23/24/31/666232431.db2.gz DVTZWZPRLNTKID-CYBMUJFWSA-N 0 0 301.346 0.340 50 0 DCAARN CCN(CC)C(=O)Cn1cc(C(=O)NC[C@@H]2CCCO2)nn1 ZINC000012753739 666401389 /nfs/dbraw/zinc/40/13/89/666401389.db2.gz ZEILXMPXEIPSGW-NSHDSACASA-N 0 0 309.370 0.055 50 0 DCAARN CN(CCCNS(=O)(=O)[C@@H]1COC[C@H]1O)c1ccccc1 ZINC000864094334 667214351 /nfs/dbraw/zinc/21/43/51/667214351.db2.gz QZSLIUZREMXMNO-ZIAGYGMSSA-N 0 0 314.407 0.192 50 0 DCAARN O=C(Cn1ncccc1=O)N1CCC(Oc2nncs2)CC1 ZINC000827913551 668138877 /nfs/dbraw/zinc/13/88/77/668138877.db2.gz ZTFAEKQTTSIIEB-UHFFFAOYSA-N 0 0 321.362 0.165 50 0 DCAARN C[C@@H]1Cc2cc(NC(=O)CN3C(=O)CN(C)C3=O)ccc2O1 ZINC000827827480 668138888 /nfs/dbraw/zinc/13/88/88/668138888.db2.gz LIQYFBCIEODWOM-SECBINFHSA-N 0 0 303.318 0.843 50 0 DCAARN O=C(Cc1ccc2c(c1)OCO2)NCCn1cccnc1=O ZINC000827849443 668138903 /nfs/dbraw/zinc/13/89/03/668138903.db2.gz HBAAAWWOXZWNSJ-UHFFFAOYSA-N 0 0 301.302 0.331 50 0 DCAARN CCOc1ccccc1N1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194857567 670459329 /nfs/dbraw/zinc/45/93/29/670459329.db2.gz JSEIPQZJFQVABN-ZDUSSCGKSA-N 0 0 317.389 0.870 50 0 DCAARN CNS(=O)(=O)[C@@H]1CCCN(Cc2ccc3nonc3c2)C1 ZINC000846826707 672346805 /nfs/dbraw/zinc/34/68/05/672346805.db2.gz QMCLJRCDPHWLNL-LLVKDONJSA-N 0 0 310.379 0.736 50 0 DCAARN CC(=O)NCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1 ZINC000952966006 685598686 /nfs/dbraw/zinc/59/86/86/685598686.db2.gz DTMAPXHOSIAOHS-UHFFFAOYSA-N 0 0 317.349 0.943 50 0 DCAARN CSCC(=O)N1CCC[C@@H](CNC(=O)c2ccnn2C)C1 ZINC000952975860 685599948 /nfs/dbraw/zinc/59/99/48/685599948.db2.gz MCAHVPWQBVYEHF-NSHDSACASA-N 0 0 310.423 0.752 50 0 DCAARN COCCN(Cc1cccnc1)C(=O)[C@@H](C)Cn1cncn1 ZINC000952975249 685600062 /nfs/dbraw/zinc/60/00/62/685600062.db2.gz SMJUTZCROKETBS-ZDUSSCGKSA-N 0 0 303.366 0.984 50 0 DCAARN C[C@](O)(CCCO)CNC(=O)c1ccccc1N1CCOCC1 ZINC000952981213 685601242 /nfs/dbraw/zinc/60/12/42/685601242.db2.gz USBPWMFIVBDEMJ-KRWDZBQOSA-N 0 0 322.405 0.777 50 0 DCAARN C[C@H]1C(=O)N2CCN(C(=O)Nc3ccccc3)C[C@@H]2C(=O)N1C ZINC000014742375 685049175 /nfs/dbraw/zinc/04/91/75/685049175.db2.gz DVDUZYMCBZBKMI-WCQYABFASA-N 0 0 316.361 0.592 50 0 DCAARN O=C(N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1)c1cnccn1 ZINC000015078557 685050021 /nfs/dbraw/zinc/05/00/21/685050021.db2.gz SGIFVSJHSSMHSX-AWEZNQCLSA-N 0 0 322.368 0.975 50 0 DCAARN CN(Cc1ccon1)C(=O)Cn1ncc(N2CCCC2)cc1=O ZINC000023398605 685052661 /nfs/dbraw/zinc/05/26/61/685052661.db2.gz XSGVPOVWTNHVHV-UHFFFAOYSA-N 0 0 317.349 0.490 50 0 DCAARN C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CC[C@@]1(O)C1CCOCC1 ZINC000091746408 685105765 /nfs/dbraw/zinc/10/57/65/685105765.db2.gz JCROERDUEBKIGR-BZNIZROVSA-N 0 0 321.377 0.410 50 0 DCAARN CN1CC[C@H](N2CCN(C(=O)c3ccccc3F)CC2)C1=O ZINC000116271863 685116560 /nfs/dbraw/zinc/11/65/60/685116560.db2.gz CZDGQOLEWBWHJR-AWEZNQCLSA-N 0 0 305.353 0.814 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)NCc3ccco3)C[C@H]2C(N)=O)[nH]1 ZINC000169791258 685141234 /nfs/dbraw/zinc/14/12/34/685141234.db2.gz VGNGJCPPGNMNIF-GHMZBOCLSA-N 0 0 318.337 0.117 50 0 DCAARN Cc1nn2c(=O)c(=Cc3ccccc3[N+](=O)[O-])sc2nc1=O ZINC000254386200 685188110 /nfs/dbraw/zinc/18/81/10/685188110.db2.gz CQDFGYNFCRBNFJ-UHFFFAOYSA-N 0 0 316.298 0.276 50 0 DCAARN O=C([O-])[C@@]12C[N@H+](Cc3ccc(OCCO)cc3)C[C@@H]1COCC2 ZINC001772703117 1157841311 /nfs/dbraw/zinc/84/13/11/1157841311.db2.gz YBATYUJUEQZYDZ-PBHICJAKSA-N 0 0 321.373 0.981 50 0 DCAARN O[C@@H]1CCCN(c2ccnc(NCc3nnc4n3CCC4)n2)C1 ZINC001704298682 1179964807 /nfs/dbraw/zinc/96/48/07/1179964807.db2.gz BVZLCKDYPVUICH-LLVKDONJSA-N 0 0 315.381 0.588 50 0 DCAARN Cc1cc(C[C@@H]2CN(CC(=O)Nc3ccn(C)n3)C[C@H]2O)on1 ZINC001704338533 1179977711 /nfs/dbraw/zinc/97/77/11/1179977711.db2.gz UHXWEIAUMCJJJU-DGCLKSJQSA-N 0 0 319.365 0.190 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3ccc(CO)cc3)C[C@H]2O)[nH]n1 ZINC001704340893 1179979240 /nfs/dbraw/zinc/97/92/40/1179979240.db2.gz XDWKUSVSWPRFOJ-GDBMZVCRSA-N 0 0 315.373 0.886 50 0 DCAARN CCCc1cc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)[nH]n1 ZINC001704343069 1179980656 /nfs/dbraw/zinc/98/06/56/1179980656.db2.gz JHWYZGGYKMYJCW-IAQYHMDHSA-N 0 0 315.377 0.828 50 0 DCAARN CC1(CNC(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)CCCCC1 ZINC001704352791 1179983508 /nfs/dbraw/zinc/98/35/08/1179983508.db2.gz JRBKPCDXLSFIGV-NSHDSACASA-N 0 0 320.393 0.688 50 0 DCAARN O=S(=O)(c1cc[nH]n1)N1CCN(Cc2cscn2)CC1 ZINC000585084808 747784786 /nfs/dbraw/zinc/78/47/86/747784786.db2.gz MMZVMBOKZGHMKT-UHFFFAOYSA-N 0 0 313.408 0.373 50 0 DCAARN Cc1nnc([C@@H]2CCN(C(=O)CCO)CCN2CC(C)C)[nH]1 ZINC000675013911 748025887 /nfs/dbraw/zinc/02/58/87/748025887.db2.gz RUNJQVZZZSLETJ-ZDUSSCGKSA-N 0 0 309.414 0.727 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@@H]1c1nn(C)c2c1COCC2 ZINC000675012052 748026194 /nfs/dbraw/zinc/02/61/94/748026194.db2.gz WTBYWIUDPMDRDE-GFCCVEGCSA-N 0 0 314.411 0.436 50 0 DCAARN CCOCc1cn([C@H]2CCN(C(=O)CCn3cccn3)C2)nn1 ZINC000675018325 748026587 /nfs/dbraw/zinc/02/65/87/748026587.db2.gz PSOFAKZTDIBYSQ-AWEZNQCLSA-N 0 0 318.381 0.875 50 0 DCAARN Cc1c(C(=O)NCC(=O)N(C)C)nnn1-c1ccc(C)cc1F ZINC000675027341 748029256 /nfs/dbraw/zinc/02/92/56/748029256.db2.gz FVBRAXAQPCNBPV-UHFFFAOYSA-N 0 0 319.340 0.841 50 0 DCAARN CN(CC(=O)Nc1cc(C(F)(F)F)ncn1)S(C)(=O)=O ZINC000585125497 748530489 /nfs/dbraw/zinc/53/04/89/748530489.db2.gz VMPPZONHHHLPQH-UHFFFAOYSA-N 0 0 312.273 0.325 50 0 DCAARN CC(C)Cc1cc(C(=O)NCCN2CCOCC2)[nH]c(=O)n1 ZINC000821446035 758172673 /nfs/dbraw/zinc/17/26/73/758172673.db2.gz HEOVOZXQUHOVQJ-UHFFFAOYSA-N 0 0 308.382 0.443 50 0 DCAARN CCCn1cc(S(=O)(=O)N2CC[C@H](CC(=O)NC)C2)cn1 ZINC000823033452 758220587 /nfs/dbraw/zinc/22/05/87/758220587.db2.gz VPMPCTSBIYMSJK-LLVKDONJSA-N 0 0 314.411 0.440 50 0 DCAARN CCNC(=O)[C@@H]1CCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000823123372 758227334 /nfs/dbraw/zinc/22/73/34/758227334.db2.gz PMOKOCJGTNRSBB-GFCCVEGCSA-N 0 0 303.428 0.421 50 0 DCAARN COC[C@H]1CCCN1S(=O)(=O)NCC1(COC)CCC1 ZINC000824370994 758771028 /nfs/dbraw/zinc/77/10/28/758771028.db2.gz IYAGTKGCXGZOMJ-GFCCVEGCSA-N 0 0 306.428 0.748 50 0 DCAARN COCC1CCN(S(=O)(=O)N2CCN(C)[C@H](C)C2)CC1 ZINC000824372074 758772183 /nfs/dbraw/zinc/77/21/83/758772183.db2.gz FBFOLROYTVJBSQ-GFCCVEGCSA-N 0 0 305.444 0.226 50 0 DCAARN COc1ccnc(N2CCC[C@@H](c3nnc(CO)n3C)C2)n1 ZINC000824835819 758788364 /nfs/dbraw/zinc/78/83/64/758788364.db2.gz WYSALGJBKXYTRH-SNVBAGLBSA-N 0 0 304.354 0.490 50 0 DCAARN CS(=O)(=O)CCC(=O)N1CCN(C2CCCC2)C(=O)C1 ZINC000827943395 758899291 /nfs/dbraw/zinc/89/92/91/758899291.db2.gz WOZURZVZLPWYOS-UHFFFAOYSA-N 0 0 302.396 0.035 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1OCC1CC1)c1ccn2nnnc2c1 ZINC000828191904 758944674 /nfs/dbraw/zinc/94/46/74/758944674.db2.gz HHCCOMGTYLMNNH-CHWSQXEVSA-N 0 0 317.349 0.438 50 0 DCAARN O=C(N[C@@H]1CCN(C(=O)C2CCC2)C[C@@H]1CO)c1cccnc1 ZINC000581781017 760247907 /nfs/dbraw/zinc/24/79/07/760247907.db2.gz NRRSHNZDJPRDNX-HUUCEWRRSA-N 0 0 317.389 0.821 50 0 DCAARN COCC(=O)N[C@@H]1CN(C(=O)c2cccs2)CC[C@@H]1CO ZINC000581797971 760251333 /nfs/dbraw/zinc/25/13/33/760251333.db2.gz BFIUQGFBOZFRGA-GHMZBOCLSA-N 0 0 312.391 0.334 50 0 DCAARN CCNC(=O)N1CCC2(C[C@H]3C(=O)N(CC)C(=O)N3C2)CC1 ZINC000581803794 760253837 /nfs/dbraw/zinc/25/38/37/760253837.db2.gz VTATXHVEJMCINF-NSHDSACASA-N 0 0 308.382 0.855 50 0 DCAARN Cc1nc([C@@H]2CC23CCN(S(=O)(=O)N(C)C)CC3)no1 ZINC000581814268 760257312 /nfs/dbraw/zinc/25/73/12/760257312.db2.gz VYLGKZCAKCWNDS-JTQLQIEISA-N 0 0 300.384 0.754 50 0 DCAARN O=C(CCn1ccc(=O)[nH]c1=O)NCc1cc(C2CC2)ncn1 ZINC000585361081 768080602 /nfs/dbraw/zinc/08/06/02/768080602.db2.gz ZHTIBQCVWNLIPB-UHFFFAOYSA-N 0 0 315.333 0.323 50 0 DCAARN O=c1ccc(C2CC2)nn1CC1CN(c2ncnc3nc[nH]c32)C1 ZINC000585603090 768081835 /nfs/dbraw/zinc/08/18/35/768081835.db2.gz IHFSWAIACHVEKN-UHFFFAOYSA-N 0 0 323.360 0.923 50 0 DCAARN Cc1cc(NC(=O)C(=O)NCC2(OCCO)CCCC2)no1 ZINC000888107160 765410063 /nfs/dbraw/zinc/41/00/63/765410063.db2.gz SZOCPIKOTCFNDO-UHFFFAOYSA-N 0 0 311.338 0.359 50 0 DCAARN C[C@@](O)(CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C1CC1 ZINC000584907208 766236916 /nfs/dbraw/zinc/23/69/16/766236916.db2.gz LPIHRJNXFJXCML-CYBMUJFWSA-N 0 0 316.354 0.364 50 0 DCAARN O=C(CCS(=O)(=O)NCc1cc[nH]n1)NCc1ccccc1 ZINC000585089444 766276315 /nfs/dbraw/zinc/27/63/15/766276315.db2.gz NCQQAQOKTBBKPB-UHFFFAOYSA-N 0 0 322.390 0.536 50 0 DCAARN CNC(=O)[C@H]1CCC[C@H]1Nc1ccc(-n2ccnc2C)nn1 ZINC000585092708 766278150 /nfs/dbraw/zinc/27/81/50/766278150.db2.gz JTLXTHWPFUBSOX-NWDGAFQWSA-N 0 0 300.366 1.297 50 0 DCAARN O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2ns[nH]c2=O)C1 ZINC000585121200 766286310 /nfs/dbraw/zinc/28/63/10/766286310.db2.gz IKPIYXCBXWZDMN-SECBINFHSA-N 0 0 310.379 0.210 50 0 DCAARN CC[C@H]1C(=O)NCCN1Cc1cnc(Br)n1C ZINC000585117544 766286699 /nfs/dbraw/zinc/28/66/99/766286699.db2.gz KFLXEPVRWUUAJN-VIFPVBQESA-N 0 0 301.188 0.893 50 0 DCAARN COC(=O)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H]1C(F)(F)F ZINC000585127982 766290542 /nfs/dbraw/zinc/29/05/42/766290542.db2.gz OGQKKKUVDHHNDO-RKDXNWHRSA-N 0 0 310.272 0.608 50 0 DCAARN O=C1NC(=O)[C@H](CCc2ncnn2-c2ccc3c(c2)CCC3)N1 ZINC000952871975 768933758 /nfs/dbraw/zinc/93/37/58/768933758.db2.gz FORVNUBXEFCJST-ZDUSSCGKSA-N 0 0 311.345 0.897 50 0 DCAARN Cc1onc(N)c1S(=O)(=O)N1CCC[C@@H]1c1nccn1C ZINC000952878626 768941948 /nfs/dbraw/zinc/94/19/48/768941948.db2.gz CNKZDQOZGBMUQH-SECBINFHSA-N 0 0 311.367 0.825 50 0 DCAARN COc1cccnc1NC(=O)NCCN1CCC2(C1)OCCO2 ZINC000952884375 768953242 /nfs/dbraw/zinc/95/32/42/768953242.db2.gz ZKFBRFUGABLRJE-UHFFFAOYSA-N 0 0 322.365 0.661 50 0 DCAARN Cc1ccoc1C(=O)NC[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000952867521 768957164 /nfs/dbraw/zinc/95/71/64/768957164.db2.gz NXPBETAUJYJHTI-JTQLQIEISA-N 0 0 301.368 0.233 50 0 DCAARN O=C(CN1CCCC1=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 ZINC001529104163 1014495850 /nfs/dbraw/zinc/49/58/50/1014495850.db2.gz LPNFOJGPWUIWJJ-RHSMWYFYSA-N 0 0 318.373 0.570 50 0 DCAARN O=C(CN1CCCCC1=O)N[C@@H]1COC[C@H]1Cc1ccncc1 ZINC001529106925 1014497300 /nfs/dbraw/zinc/49/73/00/1014497300.db2.gz ULVFZJOELHURAK-HUUCEWRRSA-N 0 0 317.389 0.768 50 0 DCAARN COCCn1ccnc1CN1C[C@H](O)[C@H](Cc2cc(C)[nH]n2)C1 ZINC001529173528 1014512420 /nfs/dbraw/zinc/51/24/20/1014512420.db2.gz XXAHZQZVRXYCFU-HIFRSBDPSA-N 0 0 319.409 0.596 50 0 DCAARN Cc1nnnn1CCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 ZINC001529172983 1014513668 /nfs/dbraw/zinc/51/36/68/1014513668.db2.gz KHTFJIWGPRGVEL-KGLIPLIRSA-N 0 0 316.365 0.141 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)CN3CCCCC3=O)C[C@@H]2O)[nH]n1 ZINC001529186803 1014516787 /nfs/dbraw/zinc/51/67/87/1014516787.db2.gz KGXDUGOTSLODDP-OCCSQVGLSA-N 0 0 320.393 0.092 50 0 DCAARN CC1=C(C(=O)N2CCC(c3nnc(CO)n3C)CC2)OCCO1 ZINC001506396190 1017253184 /nfs/dbraw/zinc/25/31/84/1017253184.db2.gz DGZDWZVJUDUXIN-UHFFFAOYSA-N 0 0 322.365 0.292 50 0 DCAARN Cc1nc(N[C@H]2C[C@H]3C(=O)N(C)CC(=O)N3C2)ccc1Cl ZINC001506412929 1017260636 /nfs/dbraw/zinc/26/06/36/1017260636.db2.gz PVOXERDFUZQVHQ-ONGXEEELSA-N 0 0 308.769 0.897 50 0 DCAARN NC(=O)c1cccnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001506425494 1017268610 /nfs/dbraw/zinc/26/86/10/1017268610.db2.gz OSZFCAOIHZBOKD-UHFFFAOYSA-N 0 0 318.377 0.256 50 0 DCAARN Cc1nc(CCNC(=O)[C@@H]2COc3ccccc3C2)cc(=O)[nH]1 ZINC000095513089 185376507 /nfs/dbraw/zinc/37/65/07/185376507.db2.gz BPGUZEVJHUHSEL-ZDUSSCGKSA-N 0 0 313.357 0.988 50 0 DCAARN Cc1csc([C@@H](C)N(C)C(=O)CN2C(=O)CCNC2=O)n1 ZINC000095524361 185377653 /nfs/dbraw/zinc/37/76/53/185377653.db2.gz VULYHZBINWUTSQ-SECBINFHSA-N 0 0 310.379 0.913 50 0 DCAARN COc1ccccc1CCNC(=O)CN1C(=O)CCNC1=O ZINC000095530685 185378883 /nfs/dbraw/zinc/37/88/83/185378883.db2.gz WLTHMFOSAHVQGZ-UHFFFAOYSA-N 0 0 305.334 0.296 50 0 DCAARN O=C(CN1CCO[C@H](CNc2cccnn2)C1)N1CCCCC1 ZINC000078893765 185124390 /nfs/dbraw/zinc/12/43/90/185124390.db2.gz VXSMQTGZSCQGQI-CQSZACIVSA-N 0 0 319.409 0.602 50 0 DCAARN CN(C)C(=O)CN1CCN(C(=O)/C=C\c2ccsc2)CC1 ZINC000096869784 185389988 /nfs/dbraw/zinc/38/99/88/185389988.db2.gz AQVRBWYPNNZDNJ-ARJAWSKDSA-N 0 0 307.419 0.994 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CCN1 ZINC000088059598 185238302 /nfs/dbraw/zinc/23/83/02/185238302.db2.gz JUQCCQOFMDCEBN-SNVBAGLBSA-N 0 0 318.420 0.073 50 0 DCAARN CCC[C@H](NC(=O)[C@H]1CNC(=O)N1)c1nnc2ccccn21 ZINC000089949788 185271117 /nfs/dbraw/zinc/27/11/17/185271117.db2.gz XJIWMKYUHRZZTD-VHSXEESVSA-N 0 0 302.338 0.368 50 0 DCAARN Cn1c(=O)n(CCNC(=O)c2ccccn2)nc1C(F)(F)F ZINC000090590911 185305582 /nfs/dbraw/zinc/30/55/82/185305582.db2.gz FLFGNNXOGXTHMB-UHFFFAOYSA-N 0 0 315.255 0.426 50 0 DCAARN O=c1[nH]cc(C(F)(F)F)cc1NS(=O)(=O)c1c[nH]cn1 ZINC000092354265 185313835 /nfs/dbraw/zinc/31/38/35/185313835.db2.gz CLULMZWNHSSRCF-UHFFFAOYSA-N 0 0 308.241 0.918 50 0 DCAARN Nc1ccnc(N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)n1 ZINC000082125737 192359101 /nfs/dbraw/zinc/35/91/01/192359101.db2.gz ICIIIJXFGFSQFM-OAHLLOKOSA-N 0 0 305.382 0.260 50 0 DCAARN O=C1[C@H](N2CCN(CCO)CC2)CCCN1c1ccccc1 ZINC000095397641 185353224 /nfs/dbraw/zinc/35/32/24/185353224.db2.gz RQMDBJGQFHQOCL-MRXNPFEDSA-N 0 0 303.406 0.792 50 0 DCAARN NS(=O)(=O)N1CCN(Cc2ccn(C3CCCC3)n2)CC1 ZINC000095418514 185359573 /nfs/dbraw/zinc/35/95/73/185359573.db2.gz VSAXFUQZERJLFT-UHFFFAOYSA-N 0 0 313.427 0.319 50 0 DCAARN CNS(=O)(=O)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000095409328 185357077 /nfs/dbraw/zinc/35/70/77/185357077.db2.gz BPOUMLJWAIAHMI-QMMMGPOBSA-N 0 0 306.334 0.561 50 0 DCAARN O=C1[C@@H](n2nc3ccccn3c2=O)CCN1CC(F)(F)F ZINC000097002201 185396479 /nfs/dbraw/zinc/39/64/79/185396479.db2.gz CGFAWYSKXDXKME-QMMMGPOBSA-N 0 0 300.240 0.832 50 0 DCAARN CCc1nc(NC(=O)CN2CC[C@H](NC(N)=O)C2)sc1C ZINC000095447666 185367902 /nfs/dbraw/zinc/36/79/02/185367902.db2.gz CPLOFAAQSZUOSV-VIFPVBQESA-N 0 0 311.411 0.695 50 0 DCAARN CCC(CO)(CO)NC(=O)[C@H](C)OCc1cccc(OC)c1 ZINC000095456330 185369930 /nfs/dbraw/zinc/36/99/30/185369930.db2.gz VMNMGRAVDDAPOB-LBPRGKRZSA-N 0 0 311.378 0.850 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)NC2(CCO)CCC2)cn1C ZINC000095462032 185370891 /nfs/dbraw/zinc/37/08/91/185370891.db2.gz WXHAWLIUKYPFTM-UHFFFAOYSA-N 0 0 316.379 0.395 50 0 DCAARN O=C(CO)N1CCN(S(=O)(=O)CC2CCCCC2)CC1 ZINC000095461830 185370974 /nfs/dbraw/zinc/37/09/74/185370974.db2.gz NHENDEQNZQYKCV-UHFFFAOYSA-N 0 0 304.412 0.033 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)NCC(F)(F)F ZINC000170081379 197768844 /nfs/dbraw/zinc/76/88/44/197768844.db2.gz VWTDZPDZRKGZPX-YUMQZZPRSA-N 0 0 317.333 0.708 50 0 DCAARN Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H](C)NC(N)=O)cn2)n1 ZINC000170651728 197801089 /nfs/dbraw/zinc/80/10/89/197801089.db2.gz LYVGVERNEZGXDW-LLVKDONJSA-N 0 0 316.365 0.557 50 0 DCAARN Cn1c2[nH]c(N3CCc4ccccc4C3)nc2c(=O)n(C)c1=O ZINC000001409322 282607996 /nfs/dbraw/zinc/60/79/96/282607996.db2.gz LCAMHMAINQLPOQ-UHFFFAOYSA-N 0 0 311.345 0.523 50 0 DCAARN CN1C(=O)CO[C@H](C(=O)N2CCOCC2)[C@@H]1c1cccc(F)c1 ZINC000072241699 282627664 /nfs/dbraw/zinc/62/76/64/282627664.db2.gz LZZIJJSRWFKBKG-GJZGRUSLSA-N 0 0 322.336 0.583 50 0 DCAARN NC(=O)COCCNC(=O)c1csc(Br)c1 ZINC000084338597 192423105 /nfs/dbraw/zinc/42/31/05/192423105.db2.gz RBQLMAKAMYUHRQ-UHFFFAOYSA-N 0 0 307.169 0.742 50 0 DCAARN CCc1nc(N)sc1C(=O)N1CCc2c(nc(N)[nH]c2=O)C1 ZINC000071681413 191006732 /nfs/dbraw/zinc/00/67/32/191006732.db2.gz FALMHPHVKUQSGF-UHFFFAOYSA-N 0 0 320.378 0.152 50 0 DCAARN CCNC(=O)[C@@H]1CCCN1S(=O)(=O)NCc1ccccc1 ZINC000071747280 191021310 /nfs/dbraw/zinc/02/13/10/191021310.db2.gz BWPDCUXNHGXPCI-ZDUSSCGKSA-N 0 0 311.407 0.622 50 0 DCAARN COCc1cc(CNC(=O)C(=O)N2CCc3ccccc32)[nH]n1 ZINC000071764304 191028232 /nfs/dbraw/zinc/02/82/32/191028232.db2.gz VJPBEDYGCSIEGC-UHFFFAOYSA-N 0 0 314.345 0.762 50 0 DCAARN CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 ZINC000072122401 191040059 /nfs/dbraw/zinc/04/00/59/191040059.db2.gz PPFWTNHAIRFDNM-ZDUSSCGKSA-N 0 0 311.332 0.744 50 0 DCAARN CC(C)O[C@H]1CN(S(=O)(=O)NCc2ccccc2)C[C@@H]1O ZINC000072133793 191044382 /nfs/dbraw/zinc/04/43/82/191044382.db2.gz KKXAVCLMVTZIFU-KBPBESRZSA-N 0 0 314.407 0.491 50 0 DCAARN CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1OCC ZINC000072162676 191063188 /nfs/dbraw/zinc/06/31/88/191063188.db2.gz VANDJLUIICTQIE-CQSZACIVSA-N 0 0 319.405 0.912 50 0 DCAARN NC(=O)[C@@H]1CN(c2nc(C3CCCC3)nc3c2CNC3)CCO1 ZINC000072168959 191067941 /nfs/dbraw/zinc/06/79/41/191067941.db2.gz RRROWQDDEJDZMV-ZDUSSCGKSA-N 0 0 317.393 0.428 50 0 DCAARN CC(=O)Nc1nc(CN2CCO[C@@H](Cn3cncn3)C2)cs1 ZINC000072253362 191087253 /nfs/dbraw/zinc/08/72/53/191087253.db2.gz CJATWXOHNZSEFX-GFCCVEGCSA-N 0 0 322.394 0.594 50 0 DCAARN COCCN1C[C@@H](C(=O)NCc2c(C)cc(C)[nH]c2=O)CC1=O ZINC000072274674 191097302 /nfs/dbraw/zinc/09/73/02/191097302.db2.gz BUFBYYVBMDRRGE-LBPRGKRZSA-N 0 0 321.377 0.103 50 0 DCAARN NC(=O)[C@H]1CCCN(c2cc(N3CCC[C@@H]3CO)ncn2)C1 ZINC000072275996 191097385 /nfs/dbraw/zinc/09/73/85/191097385.db2.gz OEJNSUZEJFEMML-NWDGAFQWSA-N 0 0 305.382 0.139 50 0 DCAARN CCCS(=O)(=O)[C@H](C)C(=O)N[C@H]1CCc2nc(C)cn2C1 ZINC000072279110 191099614 /nfs/dbraw/zinc/09/96/14/191099614.db2.gz IWGXCURBXBIFGP-NEPJUHHUSA-N 0 0 313.423 0.836 50 0 DCAARN O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccs1 ZINC000072288531 191107362 /nfs/dbraw/zinc/10/73/62/191107362.db2.gz ZUHFFCRMXJXYGW-GFCCVEGCSA-N 0 0 323.418 0.411 50 0 DCAARN Cc1csc([C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)C2)n1 ZINC000072298627 191113327 /nfs/dbraw/zinc/11/33/27/191113327.db2.gz JFHHKQJSDPHGEF-SNVBAGLBSA-N 0 0 322.390 0.709 50 0 DCAARN C[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H]1N1CCOCC1 ZINC000072300435 191114218 /nfs/dbraw/zinc/11/42/18/191114218.db2.gz ZHDWCRNGKCMCQP-HIFRSBDPSA-N 0 0 306.410 0.532 50 0 DCAARN NC(=O)C1=NO[C@H](CNCc2cnn(Cc3ccccc3)c2)C1 ZINC000225601288 186282133 /nfs/dbraw/zinc/28/21/33/186282133.db2.gz BGWYDNQRHCHQOP-AWEZNQCLSA-N 0 0 313.361 0.651 50 0 DCAARN CCn1nc2c(cc1=O)CN(CC(=O)Nc1cc(C)no1)CC2 ZINC000072302250 191114956 /nfs/dbraw/zinc/11/49/56/191114956.db2.gz FJNZGRWEYRHWOK-UHFFFAOYSA-N 0 0 317.349 0.556 50 0 DCAARN CC(C)OC(=O)[C@H](C)CNC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC000253404770 186307508 /nfs/dbraw/zinc/30/75/08/186307508.db2.gz RCYRPXABTPLPID-ZJUUUORDSA-N 0 0 301.387 0.773 50 0 DCAARN Cn1nc2c(cc1=O)CN(Cc1nnc(-c3ccco3)o1)CC2 ZINC000072302419 191115559 /nfs/dbraw/zinc/11/55/59/191115559.db2.gz SOZAHUYRIFMWSN-UHFFFAOYSA-N 0 0 313.317 0.982 50 0 DCAARN C[C@H](CNC(=O)Nc1ccn(CC(F)F)n1)N1CCOCC1 ZINC000072313320 191119877 /nfs/dbraw/zinc/11/98/77/191119877.db2.gz NDMWUTWJTPUYRJ-SNVBAGLBSA-N 0 0 317.340 0.990 50 0 DCAARN COc1ccccc1/C=c1\sc2nc(=O)c(C)nn2c1=O ZINC000000199685 180723109 /nfs/dbraw/zinc/72/31/09/180723109.db2.gz SCGGICLUAGMESN-XFFZJAGNSA-N 0 0 301.327 0.376 50 0 DCAARN CCN(c1cccc(C)c1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O ZINC000000423279 180784335 /nfs/dbraw/zinc/78/43/35/180784335.db2.gz ODRIXMKGQQTPQF-UHFFFAOYSA-N 0 0 323.374 0.895 50 0 DCAARN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000000528254 180813969 /nfs/dbraw/zinc/81/39/69/180813969.db2.gz IXKHIEGPBSMGHT-LLVKDONJSA-N 0 0 312.391 0.890 50 0 DCAARN CNC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000001168107 180848283 /nfs/dbraw/zinc/84/82/83/180848283.db2.gz VCGLPYABDRJHIB-UHFFFAOYSA-N 0 0 302.352 0.216 50 0 DCAARN CCOC(=O)c1ccc(NC(=O)CN2C(=O)CCC2=O)cc1 ZINC000001181851 180848830 /nfs/dbraw/zinc/84/88/30/180848830.db2.gz HKMBPEGQGZEIOO-UHFFFAOYSA-N 0 0 304.302 0.951 50 0 DCAARN CC(C)(C)C(=O)Cn1cc(C(=O)N2CCNC(=O)C2(C)C)nn1 ZINC000174598086 198357711 /nfs/dbraw/zinc/35/77/11/198357711.db2.gz GPBMQWUMJNATOQ-UHFFFAOYSA-N 0 0 321.381 0.244 50 0 DCAARN N=c1sccn1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000003851897 181049924 /nfs/dbraw/zinc/04/99/24/181049924.db2.gz YJLQMPFLFVFQBF-UHFFFAOYSA-N 0 0 312.376 0.315 50 0 DCAARN OC[C@H]1O[C@@H](n2cnc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000003873418 181050554 /nfs/dbraw/zinc/05/05/54/181050554.db2.gz XHSQDZXAVJRBMX-DDHJBXDOSA-N 0 0 319.144 0.955 50 0 in-vivo DCAARN COCCn1c(SCC(N)=O)nc2c(c1=O)S[C@@H](C)C2 ZINC000004108062 181074225 /nfs/dbraw/zinc/07/42/25/181074225.db2.gz VEEDSIIMGREDBU-ZETCQYMHSA-N 0 0 315.420 0.504 50 0 DCAARN COc1ccc(N2C[C@H](NC(=O)NCCCO)CC2=O)cc1 ZINC000004479568 181113016 /nfs/dbraw/zinc/11/30/16/181113016.db2.gz YZDVQTGHUCZUBZ-LLVKDONJSA-N 0 0 307.350 0.482 50 0 DCAARN CC(=O)Nc1ccc(OS(=O)(=O)N2CCOCC2)cc1 ZINC000004666972 181134051 /nfs/dbraw/zinc/13/40/51/181134051.db2.gz IVJIMDJSBUACFH-UHFFFAOYSA-N 0 0 300.336 0.601 50 0 DCAARN COc1ccc(CCNC(=O)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000004703042 181139770 /nfs/dbraw/zinc/13/97/70/181139770.db2.gz TWXIEZLWQQYBBX-AWEZNQCLSA-N 0 0 306.362 0.649 50 0 biogenic DCAARN CC[C@@H](Sc1ccnc2c1c(=O)n(C)c(=O)n2C)C(=O)OC ZINC000004942228 181176229 /nfs/dbraw/zinc/17/62/29/181176229.db2.gz VWTVUXVLEZWMRD-MRVPVSSYSA-N 0 0 323.374 0.676 50 0 DCAARN COc1cccc(C(=O)NCCNC(=O)c2cnccn2)c1 ZINC000004985293 181184392 /nfs/dbraw/zinc/18/43/92/181184392.db2.gz BBNMRTSVXKOXMD-UHFFFAOYSA-N 0 0 300.318 0.645 50 0 DCAARN O=C(N[C@H]1CCSC1=O)c1ccc(N2CCOCC2)nn1 ZINC000075172737 191439455 /nfs/dbraw/zinc/43/94/55/191439455.db2.gz PYDATSZAMLFHTO-JTQLQIEISA-N 0 0 308.363 0.075 50 0 DCAARN C[C@@H](Sc1nc2ccccc2c(=O)n1CCCO)C(N)=O ZINC000005040378 181195307 /nfs/dbraw/zinc/19/53/07/181195307.db2.gz YLPGMJZNKCXGOW-SECBINFHSA-N 0 0 307.375 0.745 50 0 DCAARN CNC(=O)CSc1nnc(CNC(=O)c2ccc(F)cc2)o1 ZINC000005107391 181204422 /nfs/dbraw/zinc/20/44/22/181204422.db2.gz BZRVVFJZEXTFTE-UHFFFAOYSA-N 0 0 324.337 0.977 50 0 DCAARN CC1(C)O[C@@H]2O[C@H]([C@@H](O)COC(=O)c3ccccc3)[C@@H](O)[C@@H]2O1 ZINC000005500089 181250705 /nfs/dbraw/zinc/25/07/05/181250705.db2.gz YZTNJMSUDMOQJM-PFFFPCNUSA-N 0 0 324.329 0.442 50 0 DCAARN CN1C[C@@H](C(=O)N2CCC(Oc3cccnc3)CC2)CC1=O ZINC000085557982 192515879 /nfs/dbraw/zinc/51/58/79/192515879.db2.gz AIQUVXJLCRZKQD-LBPRGKRZSA-N 0 0 303.362 0.930 50 0 DCAARN COc1ccccc1CN1CCN(C(=O)[C@H]2COCCN2)CC1 ZINC000237167039 202173858 /nfs/dbraw/zinc/17/38/58/202173858.db2.gz VQKDYNHAPITUPA-OAHLLOKOSA-N 0 0 319.405 0.328 50 0 DCAARN Cc1cc(F)cc(S(=O)(=O)N[C@H](C)CS(C)(=O)=O)c1 ZINC000179301928 199012651 /nfs/dbraw/zinc/01/26/51/199012651.db2.gz LHSAOIXKXDTOPQ-SECBINFHSA-N 0 0 309.384 0.846 50 0 DCAARN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@]1(O)CCOC1 ZINC000179649651 199069780 /nfs/dbraw/zinc/06/97/80/199069780.db2.gz ATOCQMOCMSAAPX-CQSZACIVSA-N 0 0 312.753 0.855 50 0 DCAARN Cc1nc(S(=O)(=O)N2CC[S@](=O)C(C)(C)C2)cn1C ZINC000089709010 192848517 /nfs/dbraw/zinc/84/85/17/192848517.db2.gz DENMWSXWEAJLSF-GOSISDBHSA-N 0 0 305.425 0.260 50 0 DCAARN CCNC(=O)C1CN(C(=O)[C@@](C)(O)CCc2ccccc2)C1 ZINC000242183941 202471334 /nfs/dbraw/zinc/47/13/34/202471334.db2.gz XDDFDTXDBZKOJA-KRWDZBQOSA-N 0 0 304.390 0.965 50 0 DCAARN C[C@@H]1CN(Cc2nc3ccccc3c(=O)n2C)CCS1(=O)=O ZINC000155383387 291219308 /nfs/dbraw/zinc/21/93/08/291219308.db2.gz RYFHHYPQMZEQRM-LLVKDONJSA-N 0 0 321.402 0.552 50 0 DCAARN Cc1nnc(SCC(=O)Nc2cc(C(C)C)no2)n(N)c1=O ZINC000006083019 181311413 /nfs/dbraw/zinc/31/14/13/181311413.db2.gz AIZZNGCGGDYJSF-UHFFFAOYSA-N 0 0 324.366 0.503 50 0 DCAARN O=C(Cc1ccsc1)N[C@@H]1CCN(c2cnccn2)C[C@H]1O ZINC000244724574 202492821 /nfs/dbraw/zinc/49/28/21/202492821.db2.gz MWPGWUMSMQQZSZ-CHWSQXEVSA-N 0 0 318.402 0.837 50 0 DCAARN C[C@H](CC(=O)N1CCN(CC(N)=O)C(=O)C1)c1ccc(F)cc1 ZINC000408520198 239271839 /nfs/dbraw/zinc/27/18/39/239271839.db2.gz TWQMNCSDFNPQIG-LLVKDONJSA-N 0 0 321.352 0.475 50 0 DCAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)NC1 ZINC000006509656 181347891 /nfs/dbraw/zinc/34/78/91/181347891.db2.gz AHXQWRDONOUCRG-UHFFFAOYSA-N 0 0 324.358 0.590 50 0 DCAARN NC(=[NH2+])NCCC[C@H](NC(=S)NC1CCCCC1)C(=O)[O-] ZINC000006659971 181366444 /nfs/dbraw/zinc/36/64/44/181366444.db2.gz AVWOTDUBEKUHBR-JTQLQIEISA-N 0 0 315.443 0.500 50 0 DCAARN CS(=O)(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000006700283 181373050 /nfs/dbraw/zinc/37/30/50/181373050.db2.gz RQJHGCXPCMBWNN-UHFFFAOYSA-N 0 0 320.392 0.079 50 0 DCAARN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC)cc1 ZINC000006703226 181374548 /nfs/dbraw/zinc/37/45/48/181374548.db2.gz SQCNMUDWHXRCNY-UHFFFAOYSA-N 0 0 300.380 0.842 50 0 DCAARN Cc1cccc(CC(=O)NCc2cc(=O)n(C)c(=O)n2C)c1 ZINC000006719934 181376827 /nfs/dbraw/zinc/37/68/27/181376827.db2.gz FGNLLSPOKHRWEQ-UHFFFAOYSA-N 0 0 301.346 0.251 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C[C@@H](C)O1 ZINC000006746863 181381934 /nfs/dbraw/zinc/38/19/34/181381934.db2.gz HWBZRVAMLBYFMJ-GHMZBOCLSA-N 0 0 323.378 0.460 50 0 DCAARN CCOC(=O)c1sc2c(c1C)c(=O)n(CCO)c(=O)n2C ZINC000006759294 181384604 /nfs/dbraw/zinc/38/46/04/181384604.db2.gz XHNIAEDZHUWZDC-UHFFFAOYSA-N 0 0 312.347 0.239 50 0 DCAARN CS(=O)(=O)N1CCc2cc(C(=O)NC[C@@H]3CCCO3)ccc21 ZINC000006766274 181385630 /nfs/dbraw/zinc/38/56/30/181385630.db2.gz RTSCHYUFMTZVPF-ZDUSSCGKSA-N 0 0 324.402 0.918 50 0 DCAARN O=C1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(=O)N1 ZINC000006784437 181387751 /nfs/dbraw/zinc/38/77/51/181387751.db2.gz OQHBEOPUICFFOS-SECBINFHSA-N 0 0 302.739 0.424 50 0 DCAARN NC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2cccnc21 ZINC000006805100 181391640 /nfs/dbraw/zinc/39/16/40/181391640.db2.gz VYISUYKAWWKGRW-UHFFFAOYSA-N 0 0 310.313 0.092 50 0 DCAARN CCC[C@]1(CO)CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1 ZINC000091289432 193031824 /nfs/dbraw/zinc/03/18/24/193031824.db2.gz SSSHCZLJNCYUOJ-INIZCTEOSA-N 0 0 323.393 0.328 50 0 DCAARN CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)Cn1ccnc1 ZINC000091303952 193036234 /nfs/dbraw/zinc/03/62/34/193036234.db2.gz PKKUPBWSXBKMDK-RYUDHWBXSA-N 0 0 314.411 0.059 50 0 DCAARN CCN1C[C@@H](C(=O)NCc2nc(CSC)no2)CCC1=O ZINC000091410174 193051380 /nfs/dbraw/zinc/05/13/80/193051380.db2.gz WXHLWYMESFLHGX-VIFPVBQESA-N 0 0 312.395 0.807 50 0 DCAARN O=C(NCCn1cnnc1)c1cnc(-c2ccccc2)[nH]c1=O ZINC000091547551 193071444 /nfs/dbraw/zinc/07/14/44/193071444.db2.gz MPIGAUDTZQKKRC-UHFFFAOYSA-N 0 0 310.317 0.458 50 0 DCAARN Cc1nc(C)n(CCNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 ZINC000091562918 193073933 /nfs/dbraw/zinc/07/39/33/193073933.db2.gz UVYPJRIBTYCVNU-GFCCVEGCSA-N 0 0 307.398 0.658 50 0 DCAARN COCc1nc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)no1 ZINC000091474885 193060951 /nfs/dbraw/zinc/06/09/51/193060951.db2.gz XDBNAFQELAOJCA-SNVBAGLBSA-N 0 0 322.365 0.623 50 0 DCAARN Cc1nc(CCCNC(=O)CC[C@H]2NC(=O)NC2=O)sc1C ZINC000091645748 193084931 /nfs/dbraw/zinc/08/49/31/193084931.db2.gz NHWQRQLICFFJMI-SNVBAGLBSA-N 0 0 324.406 0.797 50 0 DCAARN CN(C)C(=O)c1cncc(N2CC[C@@]3(C2)CCCN(C)C3=O)n1 ZINC000091713981 193095893 /nfs/dbraw/zinc/09/58/93/193095893.db2.gz WLRDGNDUVMFRLF-MRXNPFEDSA-N 0 0 317.393 0.627 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)NCCOCc1ccccc1 ZINC000091754590 193102111 /nfs/dbraw/zinc/10/21/11/193102111.db2.gz XMWDYLVWMLWLQF-GFCCVEGCSA-N 0 0 305.334 0.308 50 0 DCAARN COc1ccccc1CCC(=O)N1CCN(C(C)=O)C[C@H](O)C1 ZINC000092062190 193151187 /nfs/dbraw/zinc/15/11/87/193151187.db2.gz SHZWJYDYLWTGHN-HNNXBMFYSA-N 0 0 320.389 0.679 50 0 DCAARN O=C(CCCN1CCCC1=O)N1CCC2(CC1)[C@H](O)C[C@@H]2O ZINC000092096857 193157033 /nfs/dbraw/zinc/15/70/33/193157033.db2.gz OZLXUJJDVFNBKC-BETUJISGSA-N 0 0 310.394 0.123 50 0 DCAARN Cc1nccc(N2CCC3(CCC(=O)N(CCO)C3)CC2)n1 ZINC000092099493 193158810 /nfs/dbraw/zinc/15/88/10/193158810.db2.gz UQFJFMWYKGECNJ-UHFFFAOYSA-N 0 0 304.394 0.986 50 0 DCAARN NC(=O)C1(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)CC1 ZINC000219188543 201551541 /nfs/dbraw/zinc/55/15/41/201551541.db2.gz HEKNMQMWRKUYEB-OLZOCXBDSA-N 0 0 322.336 0.744 50 0 DCAARN CCc1nnc(CN(C)C(=O)[C@@H]2CCCN2S(C)(=O)=O)o1 ZINC000219955873 201567424 /nfs/dbraw/zinc/56/74/24/201567424.db2.gz CIDNVABRLOMVBU-VIFPVBQESA-N 0 0 316.383 0.014 50 0 DCAARN COc1ccc(F)cc1C(=O)NC[C@H]1CN(C(C)=O)CCO1 ZINC000220552535 201578241 /nfs/dbraw/zinc/57/82/41/201578241.db2.gz WSELFGZFLVAKQT-LBPRGKRZSA-N 0 0 310.325 0.811 50 0 DCAARN COCCNC(=O)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223354397 201640981 /nfs/dbraw/zinc/64/09/81/201640981.db2.gz ZCXNYGPHAZBMIG-GFCCVEGCSA-N 0 0 320.345 0.669 50 0 DCAARN C[C@H]1CCNC(=O)[C@H]1NC(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000282121620 216759966 /nfs/dbraw/zinc/75/99/66/216759966.db2.gz GLUGZTNFBOHSOF-CABZTGNLSA-N 0 0 319.365 0.430 50 0 DCAARN COC(=O)[C@]1(C)CN(C(=O)NCCCn2ccnn2)C[C@H]1C ZINC000252496455 202852702 /nfs/dbraw/zinc/85/27/02/202852702.db2.gz PIUDZSDHBNDTGM-BXUZGUMPSA-N 0 0 309.370 0.509 50 0 DCAARN Cn1c(SCc2nc(N)nc(N)n2)nnc1-c1ccco1 ZINC000007179823 181444342 /nfs/dbraw/zinc/44/43/42/181444342.db2.gz WJEOTTZQGQCQGX-UHFFFAOYSA-N 0 0 304.339 0.717 50 0 DCAARN CC(C)CNC(=O)COC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000007675941 181485684 /nfs/dbraw/zinc/48/56/84/181485684.db2.gz NIRYHDMCLUQBJY-UHFFFAOYSA-N 0 0 303.318 0.852 50 0 DCAARN Cc1ncc(S(C)(=O)=O)c(N[C@]2(C)CCS(=O)(=O)C2)n1 ZINC000095352496 193427591 /nfs/dbraw/zinc/42/75/91/193427591.db2.gz LQISWZHUDPLURR-LLVKDONJSA-N 0 0 319.408 0.178 50 0 DCAARN CC(C)NC(=O)NC(=O)[C@H](C)Sc1n[nH]c(=O)n1C1CC1 ZINC000007776306 181493914 /nfs/dbraw/zinc/49/39/14/181493914.db2.gz XMXIDPYPSSIFFY-ZETCQYMHSA-N 0 0 313.383 0.621 50 0 DCAARN Cc1nn(C)c2ncc(S(=O)(=O)N3CCC[C@H](CO)C3)cc12 ZINC000095972856 193468824 /nfs/dbraw/zinc/46/88/24/193468824.db2.gz SPRBMHSANBDEDV-NSHDSACASA-N 0 0 324.406 0.670 50 0 DCAARN Cc1noc(C)c1CNC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000095955163 193457639 /nfs/dbraw/zinc/45/76/39/193457639.db2.gz YTYBIMJGTMGYLI-UHFFFAOYSA-N 0 0 316.383 0.078 50 0 DCAARN Cn1ncc2cc(NC(=O)N3CCO[C@@H](C(N)=O)C3)ccc21 ZINC000096141974 193551120 /nfs/dbraw/zinc/55/11/20/193551120.db2.gz UIZSKHLMQBQTHO-GFCCVEGCSA-N 0 0 303.322 0.291 50 0 DCAARN Nc1c(C(=O)CSc2ncccn2)c(=O)[nH]c(=O)n1C1CC1 ZINC000008229772 181537685 /nfs/dbraw/zinc/53/76/85/181537685.db2.gz CIZSKPCMKJBVSV-UHFFFAOYSA-N 0 0 319.346 0.219 50 0 DCAARN CCNC(=O)CNC(=O)CN1c2ccccc2OCCC1=O ZINC000008094720 181526131 /nfs/dbraw/zinc/52/61/31/181526131.db2.gz MKPLRVJBRJOYQT-UHFFFAOYSA-N 0 0 305.334 0.054 50 0 DCAARN CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000008889257 181589871 /nfs/dbraw/zinc/58/98/71/181589871.db2.gz XISJOXXQNSFBLM-HNNXBMFYSA-N 0 0 305.334 0.598 50 0 DCAARN NC(=O)c1ccccc1OCC(=O)NC(=O)NC1CCCC1 ZINC000009248015 181610034 /nfs/dbraw/zinc/61/00/34/181610034.db2.gz AVMSQLQXUIVJFT-UHFFFAOYSA-N 0 0 305.334 0.933 50 0 DCAARN CCc1c(C(=O)NCCN2C(=O)CNC2=O)cnn1C(C)(C)C ZINC000265034898 204355727 /nfs/dbraw/zinc/35/57/27/204355727.db2.gz XRULGVXAUKQLNL-UHFFFAOYSA-N 0 0 321.381 0.482 50 0 DCAARN C[C@@H]1CN(C(=O)COc2cccc(-n3cnnn3)c2)CCO1 ZINC000010903373 181680950 /nfs/dbraw/zinc/68/09/50/181680950.db2.gz ISPICACCTSTPMQ-LLVKDONJSA-N 0 0 303.322 0.288 50 0 DCAARN CCn1c(=O)c2c(nc3n2cc(C)n3CCCOC)n(C)c1=O ZINC000010233917 181662166 /nfs/dbraw/zinc/66/21/66/181662166.db2.gz VSGDQUIBMRHZDZ-UHFFFAOYSA-N 0 0 319.365 0.514 50 0 DCAARN COC(=O)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000011692338 181699503 /nfs/dbraw/zinc/69/95/03/181699503.db2.gz QMEQNLHDENUXHC-UHFFFAOYSA-N 0 0 315.370 0.812 50 0 DCAARN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2C(=O)Cc2cnn(C)c2)O1 ZINC000253392780 291556571 /nfs/dbraw/zinc/55/65/71/291556571.db2.gz RVVWRGOKKNGJGG-ZRJCITRHSA-N 0 0 321.377 0.673 50 0 DCAARN CCc1noc(C)c1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000016580400 182051125 /nfs/dbraw/zinc/05/11/25/182051125.db2.gz UWTCVDIGMJMCSN-UHFFFAOYSA-N 0 0 301.368 0.263 50 0 DCAARN CC(=O)Nc1cccc(NC(=O)Cn2ccc(=O)[nH]c2=O)c1 ZINC000016644024 182055496 /nfs/dbraw/zinc/05/54/96/182055496.db2.gz DWVSALIEHLKNRP-UHFFFAOYSA-N 0 0 302.290 0.134 50 0 DCAARN COc1ccc(Nc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cc1 ZINC000017223894 182080459 /nfs/dbraw/zinc/08/04/59/182080459.db2.gz RICCWHOMSSUHEU-UHFFFAOYSA-N 0 0 301.306 0.713 50 0 DCAARN NC(=O)C1CCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000018285678 182101502 /nfs/dbraw/zinc/10/15/02/182101502.db2.gz GZMLXNCOTWDBHK-CYBMUJFWSA-N 0 0 301.346 0.516 50 0 DCAARN COC(=O)C1=CC(c2ccccc2OC)=NS(=O)(=O)N1C ZINC000018210352 182098622 /nfs/dbraw/zinc/09/86/22/182098622.db2.gz JLZCOWADIFUZLF-UHFFFAOYSA-N 0 0 310.331 0.731 50 0 DCAARN COc1ccc(CN2CCN(CCOCCO)CC2)cc1OC ZINC000019606971 182132801 /nfs/dbraw/zinc/13/28/01/182132801.db2.gz HHOVMBBEBVEFCU-UHFFFAOYSA-N 0 0 324.421 0.830 50 0 DCAARN Cc1cccc(C)c1OC[C@H](O)CN1CCN(CCO)CC1 ZINC000019770814 182145557 /nfs/dbraw/zinc/14/55/57/182145557.db2.gz QURUKAATAVETDT-MRXNPFEDSA-N 0 0 308.422 0.653 50 0 DCAARN CCn1cnc(NC(=O)NCC2CCS(=O)(=O)CC2)n1 ZINC000019812652 182152808 /nfs/dbraw/zinc/15/28/08/182152808.db2.gz PQQQRVCUDTZXOY-UHFFFAOYSA-N 0 0 301.372 0.244 50 0 DCAARN O=C(NCCCN1CCOCC1)C(=O)NCCC1=CCCCC1 ZINC000019831157 182154063 /nfs/dbraw/zinc/15/40/63/182154063.db2.gz ZQWHKKKQOZBMSX-UHFFFAOYSA-N 0 0 323.437 0.832 50 0 DCAARN CCCC[C@H](CC)CNC(=O)C(=O)NCCN1CCOCC1 ZINC000019831164 182154344 /nfs/dbraw/zinc/15/43/44/182154344.db2.gz XKWGDOSAIFPZRG-AWEZNQCLSA-N 0 0 313.442 0.767 50 0 DCAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1 ZINC000019925685 182165102 /nfs/dbraw/zinc/16/51/02/182165102.db2.gz KRFFCVZEYUBDMZ-UHFFFAOYSA-N 0 0 312.391 0.188 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCC2)C1 ZINC000020495832 182225446 /nfs/dbraw/zinc/22/54/46/182225446.db2.gz NNYPDMPFSMVAQH-NSHDSACASA-N 0 0 303.428 0.564 50 0 DCAARN CN(Cc1ccncn1)C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000020536909 182228648 /nfs/dbraw/zinc/22/86/48/182228648.db2.gz AZGNDFYSNITOIU-UHFFFAOYSA-N 0 0 309.329 0.996 50 0 DCAARN C[C@H](O)CNC(=O)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000020717613 182243442 /nfs/dbraw/zinc/24/34/42/182243442.db2.gz FZWOTHWFBYQYEL-ZDUSSCGKSA-N 0 0 320.389 0.348 50 0 DCAARN O=c1ccc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2[nH]1 ZINC000020904166 182252801 /nfs/dbraw/zinc/25/28/01/182252801.db2.gz CIMDJTMMDYKWHC-NSHDSACASA-N 0 0 308.359 0.985 50 0 DCAARN CC[C@H](C)[C@@H](NC(=O)CN1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000020939058 182255833 /nfs/dbraw/zinc/25/58/33/182255833.db2.gz SJRYLVZAMOWKNN-CIQGVGRVSA-N 0 0 300.399 0.800 50 0 DCAARN O=C(O[C@H]1CCOC1=O)c1ccccc1CN1C(=O)CNC1=O ZINC000021922371 182298401 /nfs/dbraw/zinc/29/84/01/182298401.db2.gz KQONCIXKESHHBU-NSHDSACASA-N 0 0 318.285 0.211 50 0 DCAARN CCOC(=O)Cc1nnc2c(NC(C)C)nc3nonc3n12 ZINC000022339847 182319692 /nfs/dbraw/zinc/31/96/92/182319692.db2.gz WMXWCYIMIWLBKL-UHFFFAOYSA-N 0 0 305.298 0.586 50 0 DCAARN CCn1nnc2cc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)ccc21 ZINC000022547440 182326223 /nfs/dbraw/zinc/32/62/23/182326223.db2.gz GOPIJYARRXXKTB-CQSZACIVSA-N 0 0 322.390 0.758 50 0 DCAARN CC(C)C[C@H](CNC(=O)c1ccc[n+]([O-])c1)N1CCOCC1 ZINC000022970150 182344214 /nfs/dbraw/zinc/34/42/14/182344214.db2.gz CPDIWUCIHQGDKB-OAHLLOKOSA-N 0 0 307.394 0.797 50 0 DCAARN Cc1cc(NC(=O)NC2CCN(S(C)(=O)=O)CC2)no1 ZINC000022870117 182338441 /nfs/dbraw/zinc/33/84/41/182338441.db2.gz BJHKZVXSASLNNU-UHFFFAOYSA-N 0 0 302.356 0.529 50 0 DCAARN O=C(CNc1ccc(F)c(F)c1F)N[C@@H]1CCS(=O)(=O)C1 ZINC000022907375 182340423 /nfs/dbraw/zinc/34/04/23/182340423.db2.gz VCCZTJBYCXDOCY-SSDOTTSWSA-N 0 0 322.308 0.819 50 0 DCAARN Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)NCc1ccc(F)cc1 ZINC000023142005 182350503 /nfs/dbraw/zinc/35/05/03/182350503.db2.gz KDTKUCYRNUDGPK-UHFFFAOYSA-N 0 0 319.336 0.770 50 0 DCAARN O=C(COc1cccc(N2CCCC2=O)c1)Nc1nc[nH]n1 ZINC000023141682 182350612 /nfs/dbraw/zinc/35/06/12/182350612.db2.gz OVTIQASYINJCTE-UHFFFAOYSA-N 0 0 301.306 0.949 50 0 DCAARN CC(C)Cc1nnc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC000023543939 182363403 /nfs/dbraw/zinc/36/34/03/182363403.db2.gz OXHUWVHUORXDIM-VIFPVBQESA-N 0 0 315.399 0.559 50 0 DCAARN CC(=O)N1CCN(C[C@@H](O)COCc2ccccc2F)CC1 ZINC000023623578 182364466 /nfs/dbraw/zinc/36/44/66/182364466.db2.gz FEOWFJCOXCWMHL-OAHLLOKOSA-N 0 0 310.369 0.867 50 0 DCAARN CS(=O)(=O)N1CCCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000024782623 182390513 /nfs/dbraw/zinc/39/05/13/182390513.db2.gz PZBNIAMIOBJMAA-UHFFFAOYSA-N 0 0 324.402 0.729 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1Cc1nnsc1Cl ZINC000024807304 182391792 /nfs/dbraw/zinc/39/17/92/182391792.db2.gz CQYAWFHLJPALBK-ZETCQYMHSA-N 0 0 304.759 0.055 50 0 DCAARN O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc2c(c1)NC(=O)CO2 ZINC000024345528 182379292 /nfs/dbraw/zinc/37/92/92/182379292.db2.gz FVWYBUJLALXGIQ-VIFPVBQESA-N 0 0 324.358 0.781 50 0 DCAARN O=C1[C@H]2CCCN2C(=O)N1C[C@@H](O)COc1ccc(F)cc1 ZINC000024719709 182388914 /nfs/dbraw/zinc/38/89/14/182388914.db2.gz JHQVMKVLWMOOQV-DGCLKSJQSA-N 0 0 308.309 0.992 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1nc2c(s1)CCC2 ZINC000025769257 182422474 /nfs/dbraw/zinc/42/24/74/182422474.db2.gz KMZAFIYOMJAVIU-UHFFFAOYSA-N 0 0 320.374 0.888 50 0 DCAARN CCNC(=O)C1CCN(Cn2nnc3ccccc3c2=O)CC1 ZINC000026644680 182448271 /nfs/dbraw/zinc/44/82/71/182448271.db2.gz HYRNHKBVJQHHIA-UHFFFAOYSA-N 0 0 315.377 0.597 50 0 DCAARN NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000028273710 182518015 /nfs/dbraw/zinc/51/80/15/182518015.db2.gz QWXKQKPDJZSVEK-LBPRGKRZSA-N 0 0 319.361 0.352 50 0 DCAARN CS(=O)(=O)NCCNC(=O)c1ccccc1Br ZINC000029679676 182573581 /nfs/dbraw/zinc/57/35/81/182573581.db2.gz BHHCATMOLYPZOH-UHFFFAOYSA-N 0 0 321.196 0.728 50 0 DCAARN CCC(C)(C)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000029864917 182579185 /nfs/dbraw/zinc/57/91/85/182579185.db2.gz MTXPNFATOZNQQT-UHFFFAOYSA-N 0 0 304.350 0.551 50 0 DCAARN Cn1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)n1 ZINC000100769185 193803737 /nfs/dbraw/zinc/80/37/37/193803737.db2.gz LRCYVDNBBQLNJZ-QWRGUYRKSA-N 0 0 302.334 0.700 50 0 DCAARN CC(C)(C)c1noc(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 ZINC000032977387 182685890 /nfs/dbraw/zinc/68/58/90/182685890.db2.gz XAVXIYYPTUFDQH-SECBINFHSA-N 0 0 315.395 0.603 50 0 DCAARN CCCNC(=O)Cn1c(=O)ccn(Cc2cccc(F)c2)c1=O ZINC000033331184 182705797 /nfs/dbraw/zinc/70/57/97/182705797.db2.gz FAGJKCSVSSDCSS-UHFFFAOYSA-N 0 0 319.336 0.724 50 0 DCAARN Cn1nnnc1SCC(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000038490448 183000579 /nfs/dbraw/zinc/00/05/79/183000579.db2.gz UYULCTYJYLRGLD-UHFFFAOYSA-N 0 0 324.391 0.916 50 0 DCAARN CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC000039156666 183014718 /nfs/dbraw/zinc/01/47/18/183014718.db2.gz INRIVMRLLOCBOJ-ZDUSSCGKSA-N 0 0 303.362 0.082 50 0 DCAARN CCN(CC(=O)NC)S(=O)(=O)N1CCc2ccccc2C1 ZINC000040091360 183033754 /nfs/dbraw/zinc/03/37/54/183033754.db2.gz HBKABWCZLMEOSS-UHFFFAOYSA-N 0 0 311.407 0.357 50 0 DCAARN CCNC(=O)[C@H]1C[C@H](c2ccc(F)cc2)NS(=O)(=O)N1C ZINC000040474706 183074235 /nfs/dbraw/zinc/07/42/35/183074235.db2.gz QCMXKPCKIDVAHK-VXGBXAGGSA-N 0 0 315.370 0.541 50 0 DCAARN Cc1cc(C)n(CC(=O)N2CCC(NS(C)(=O)=O)CC2)n1 ZINC000040487845 183078491 /nfs/dbraw/zinc/07/84/91/183078491.db2.gz XVVRKXXVMWVYHX-UHFFFAOYSA-N 0 0 314.411 0.040 50 0 DCAARN O=S(=O)(NCc1cnn(-c2ccccc2)c1)N1CCOCC1 ZINC000040488265 183078529 /nfs/dbraw/zinc/07/85/29/183078529.db2.gz LPZHJFLPTJIITB-UHFFFAOYSA-N 0 0 322.390 0.539 50 0 DCAARN NC(=O)[C@H]1CC(C(=O)N2CCOCC2)=NN1c1ccc(F)cc1 ZINC000040493759 183080584 /nfs/dbraw/zinc/08/05/84/183080584.db2.gz PIEDGVOEPOBSCZ-CYBMUJFWSA-N 0 0 320.324 0.105 50 0 DCAARN O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000040505024 183085425 /nfs/dbraw/zinc/08/54/25/183085425.db2.gz BEBWTLSUXDOMHB-JSGCOSHPSA-N 0 0 303.362 0.725 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C)n2C)o1 ZINC000040513931 183088626 /nfs/dbraw/zinc/08/86/26/183088626.db2.gz PXGKZUNVDDOKEK-UHFFFAOYSA-N 0 0 311.363 0.765 50 0 DCAARN C[C@@H]1CCCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)C1 ZINC000040543312 183099286 /nfs/dbraw/zinc/09/92/86/183099286.db2.gz QPEDQTHQRVSDCQ-LLVKDONJSA-N 0 0 312.391 0.971 50 0 DCAARN Cc1nn(C)c2cn([C@@H](C)C(=O)NCC(=O)N3CCCC3)nc12 ZINC000040715063 183122970 /nfs/dbraw/zinc/12/29/70/183122970.db2.gz SSKVQQVCUPJPJB-NSHDSACASA-N 0 0 318.381 0.378 50 0 DCAARN O=C(CCn1ncc2ccccc21)NCCN1CCOCC1 ZINC000040768969 183131343 /nfs/dbraw/zinc/13/13/43/183131343.db2.gz ZRFQGVVHXHUBEH-UHFFFAOYSA-N 0 0 302.378 0.875 50 0 DCAARN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@@H]1CCOC1 ZINC000041371476 183187122 /nfs/dbraw/zinc/18/71/22/183187122.db2.gz MHRFTCCMHHMVCQ-NSHDSACASA-N 0 0 317.345 0.233 50 0 DCAARN O=C(NCCc1cn2ccccc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000041902691 183224315 /nfs/dbraw/zinc/22/43/15/183224315.db2.gz CHEVAJXSFLFFJG-NSHDSACASA-N 0 0 307.375 0.428 50 0 DCAARN CC(=O)NCCNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1 ZINC000042298470 183250822 /nfs/dbraw/zinc/25/08/22/183250822.db2.gz YKSQHIXSTWOQHE-UHFFFAOYSA-N 0 0 312.391 0.735 50 0 DCAARN O=C(NCCc1nnc2n1CCC2)c1ccc2c(c1)OCCO2 ZINC000042502741 183277684 /nfs/dbraw/zinc/27/76/84/183277684.db2.gz PGEJMAYICNEMAF-UHFFFAOYSA-N 0 0 314.345 0.968 50 0 DCAARN C[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000042536253 183282283 /nfs/dbraw/zinc/28/22/83/183282283.db2.gz ASXWVLPQBPUIDP-RYUDHWBXSA-N 0 0 314.411 0.059 50 0 DCAARN CN(C)c1ncccc1CNC(=O)CCC(=O)N1CCOCC1 ZINC000043051170 183333060 /nfs/dbraw/zinc/33/30/60/183333060.db2.gz OUFLGGGSQJDMEQ-UHFFFAOYSA-N 0 0 320.393 0.403 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCSc2ccccc21 ZINC000042814309 183312115 /nfs/dbraw/zinc/31/21/15/183312115.db2.gz GMHJZZNWPVUCGZ-UWVGGRQHSA-N 0 0 305.359 0.938 50 0 DCAARN O=C(NCCn1ccnc1)N1CCN(c2ccccn2)CC1 ZINC000043311740 183354438 /nfs/dbraw/zinc/35/44/38/183354438.db2.gz XOFRVMSXRAFSMR-UHFFFAOYSA-N 0 0 300.366 0.810 50 0 DCAARN Cc1nn(C)c(C)c1CCNC(=O)C(=O)Nc1c[nH]ccc1=O ZINC000044893210 183450066 /nfs/dbraw/zinc/45/00/66/183450066.db2.gz JOPDCCQFEZIFST-UHFFFAOYSA-N 0 0 317.349 0.023 50 0 DCAARN Cc1cc(O[C@@H](C)C(=O)NC(C(N)=O)C(N)=O)ccc1C(C)C ZINC000045063449 183478550 /nfs/dbraw/zinc/47/85/50/183478550.db2.gz ALGCSDZZWVIDQC-JTQLQIEISA-N 0 0 321.377 0.341 50 0 DCAARN O=C(c1ccncc1)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 ZINC000091691109 296273032 /nfs/dbraw/zinc/27/30/32/296273032.db2.gz MHCNANMDHJITEX-HUUCEWRRSA-N 0 0 305.378 0.094 50 0 DCAARN O=C(COc1cccc(Br)c1)N1CCNC(=O)C1 ZINC000046867465 183571323 /nfs/dbraw/zinc/57/13/23/183571323.db2.gz MCYKSZUWMUCXTC-UHFFFAOYSA-N 0 0 313.151 0.786 50 0 DCAARN CCC(C)(C)NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000047666053 183600669 /nfs/dbraw/zinc/60/06/69/183600669.db2.gz PHHCXCFRFBKONN-GHMZBOCLSA-N 0 0 316.423 0.327 50 0 DCAARN CC(=O)N1CCCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1 ZINC000048230211 183629125 /nfs/dbraw/zinc/62/91/25/183629125.db2.gz LTKXXZHGKZCCBL-UHFFFAOYSA-N 0 0 318.299 0.983 50 0 DCAARN O=C(c1cccs1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000048217560 183627581 /nfs/dbraw/zinc/62/75/81/183627581.db2.gz KCTTWWOGPFWHNV-LLVKDONJSA-N 0 0 314.432 0.693 50 0 DCAARN CCc1noc(CCCC(=O)NCC2(C(N)=O)CCOCC2)n1 ZINC000052745448 183869882 /nfs/dbraw/zinc/86/98/82/183869882.db2.gz OPBJDYMOSRHXJS-UHFFFAOYSA-N 0 0 324.381 0.353 50 0 DCAARN CC(=O)N1CCN(CC(=O)N2CCc3sccc3C2)CC1 ZINC000054845136 183952687 /nfs/dbraw/zinc/95/26/87/183952687.db2.gz ULWCRVMAZFSMPY-UHFFFAOYSA-N 0 0 307.419 0.797 50 0 DCAARN COc1nn(C)cc1C(=O)NCC(=O)NCCc1cccs1 ZINC000056909794 184021358 /nfs/dbraw/zinc/02/13/58/184021358.db2.gz GNHNRASZHPLFHL-UHFFFAOYSA-N 0 0 322.390 0.579 50 0 DCAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCNC(=O)C2)c1C ZINC000057024633 184024896 /nfs/dbraw/zinc/02/48/96/184024896.db2.gz ZDQMSDMUKJRTDF-NSHDSACASA-N 0 0 321.377 0.811 50 0 DCAARN C[C@H](C(=O)NCCc1cccs1)N1CCN(CCO)CC1 ZINC000058013781 184067275 /nfs/dbraw/zinc/06/72/75/184067275.db2.gz WFEMYCMYMDLOCW-CYBMUJFWSA-N 0 0 311.451 0.405 50 0 DCAARN CN(Cc1ccsc1)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000058343938 184107364 /nfs/dbraw/zinc/10/73/64/184107364.db2.gz BKOKIULYIPTCPD-GFCCVEGCSA-N 0 0 316.448 0.825 50 0 DCAARN CS(=O)(=O)c1ccc(Nc2cn[nH]c2)c(S(C)(=O)=O)c1 ZINC000058280535 184099038 /nfs/dbraw/zinc/09/90/38/184099038.db2.gz NQYUOCOUHGCVDW-UHFFFAOYSA-N 0 0 315.376 0.960 50 0 DCAARN CN(C)S(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000058304570 184102840 /nfs/dbraw/zinc/10/28/40/184102840.db2.gz HYAHBAKDCOXRGT-CYBMUJFWSA-N 0 0 311.407 0.687 50 0 DCAARN CCN(CC)S(=O)(=O)NC1CCN(C(=O)C(C)C)CC1 ZINC000058307684 184103778 /nfs/dbraw/zinc/10/37/78/184103778.db2.gz MFBWCCYEEMZGDK-UHFFFAOYSA-N 0 0 305.444 0.810 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000058323139 184104867 /nfs/dbraw/zinc/10/48/67/184104867.db2.gz CGDXUPDQMJSJJD-STQMWFEESA-N 0 0 311.426 0.960 50 0 DCAARN CCN(CC)S(=O)(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000058328849 184105638 /nfs/dbraw/zinc/10/56/38/184105638.db2.gz YDZVLMYBGIWPJM-UPJWGTAASA-N 0 0 307.460 0.660 50 0 DCAARN CN1CCO[C@@H](CNC(=O)CCc2ccc3c(c2)OCO3)C1 ZINC000058332533 184106469 /nfs/dbraw/zinc/10/64/69/184106469.db2.gz ABZHXYYJGGBRDS-ZDUSSCGKSA-N 0 0 306.362 0.795 50 0 DCAARN NS(=O)(=O)c1ccc(C(=O)OCCN2CCCC2=O)cc1 ZINC000059351873 184137323 /nfs/dbraw/zinc/13/73/23/184137323.db2.gz XULSVSXQIMSUGP-UHFFFAOYSA-N 0 0 312.347 0.113 50 0 DCAARN CCCNC(=O)c1ccccc1NC(=O)C(=O)N1CCOCC1 ZINC000059765810 184140863 /nfs/dbraw/zinc/14/08/63/184140863.db2.gz KLZSDZFPJRIPRB-UHFFFAOYSA-N 0 0 319.361 0.624 50 0 DCAARN CCc1ccc(CN(C)C(=O)CN2CCN(CCO)CC2)cc1 ZINC000061758290 184186797 /nfs/dbraw/zinc/18/67/97/184186797.db2.gz IVUTYBOTHIRFRO-UHFFFAOYSA-N 0 0 319.449 0.817 50 0 DCAARN CCN1CCN(C2=NCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000064929824 184306193 /nfs/dbraw/zinc/30/61/93/184306193.db2.gz VFTHZTWMHLQXRJ-UHFFFAOYSA-N 0 0 322.434 0.684 50 0 DCAARN Cn1c(=O)c2nscc2n(CC(=O)NC2CCCCC2)c1=O ZINC000065185022 184314093 /nfs/dbraw/zinc/31/40/93/184314093.db2.gz IOSUDNKJGVUOJA-UHFFFAOYSA-N 0 0 322.390 0.606 50 0 DCAARN CC[C@H](C(=O)NC)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000065362018 184328346 /nfs/dbraw/zinc/32/83/46/184328346.db2.gz AUQVLMSDDIJGDU-GFCCVEGCSA-N 0 0 300.380 0.986 50 0 DCAARN NC(=O)c1cnc2n1CCN(C(=O)[C@H]1CC(=O)c3ccccc31)C2 ZINC000065409401 184340236 /nfs/dbraw/zinc/34/02/36/184340236.db2.gz IXIPIZKHHYQMGL-LBPRGKRZSA-N 0 0 324.340 0.694 50 0 DCAARN Cc1nc(COc2ccccc2C(=O)N(C)CC(N)=O)no1 ZINC000065417348 184341501 /nfs/dbraw/zinc/34/15/01/184341501.db2.gz AAWSGSHNVLGWSC-UHFFFAOYSA-N 0 0 304.306 0.514 50 0 DCAARN Cc1cccc(-c2noc(CN3C[C@@H](O)C[C@@H]3C(N)=O)n2)c1 ZINC000065493555 184354252 /nfs/dbraw/zinc/35/42/52/184354252.db2.gz HFLORROLUAKDEX-NWDGAFQWSA-N 0 0 302.334 0.466 50 0 DCAARN Cc1ccc(-c2nnc(CN[C@@H]3C=CS(=O)(=O)C3)o2)n1C ZINC000065434878 184344799 /nfs/dbraw/zinc/34/47/99/184344799.db2.gz YGPHKLJSGHQCGL-SNVBAGLBSA-N 0 0 308.363 0.784 50 0 DCAARN C[C@@H]1CN(CCNC(=O)NCc2nnc3n2CCC3)C[C@H](C)O1 ZINC000065440783 184345204 /nfs/dbraw/zinc/34/52/04/184345204.db2.gz YOZDIRKLROSUCH-TXEJJXNPSA-N 0 0 322.413 0.133 50 0 DCAARN CN1CCN(C(=O)NCCOc2ccc3c(c2)OCO3)CC1 ZINC000065439776 184345694 /nfs/dbraw/zinc/34/56/94/184345694.db2.gz KDLITEFFEZDDMC-UHFFFAOYSA-N 0 0 307.350 0.751 50 0 DCAARN C[C@@H](NC(=O)N1CCC(NS(C)(=O)=O)CC1)[C@@H]1CCCO1 ZINC000065447674 184345963 /nfs/dbraw/zinc/34/59/63/184345963.db2.gz YWANXNLQRGNZSN-PWSUYJOCSA-N 0 0 319.427 0.277 50 0 DCAARN NC(=O)Cn1cc(NC(=O)NC[C@H](O)c2ccccc2F)cn1 ZINC000065443379 184346104 /nfs/dbraw/zinc/34/61/04/184346104.db2.gz GHYLOMCRTZCPNH-LBPRGKRZSA-N 0 0 321.312 0.363 50 0 DCAARN NC(=O)[C@@H](CNC(=O)c1cnns1)Cc1ccc(F)cc1 ZINC000065462513 184349118 /nfs/dbraw/zinc/34/91/18/184349118.db2.gz VGXNPORHGIXNIP-SECBINFHSA-N 0 0 308.338 0.751 50 0 DCAARN CCN(CC)S(=O)(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000065479284 184352500 /nfs/dbraw/zinc/35/25/00/184352500.db2.gz VVVSSWIQUMAJNI-UHFFFAOYSA-N 0 0 315.443 0.124 50 0 DCAARN CNc1ccc(Cl)cc1C(=O)N1CCN2CCNC(=O)[C@H]2C1 ZINC000065530330 184361032 /nfs/dbraw/zinc/36/10/32/184361032.db2.gz NYRDYZKPAJEMSB-CYBMUJFWSA-N 0 0 322.796 0.638 50 0 DCAARN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N1CCOC[C@H]1C ZINC000065565109 184366782 /nfs/dbraw/zinc/36/67/82/184366782.db2.gz AIBFUUCFQXTLST-SECBINFHSA-N 0 0 318.377 0.668 50 0 DCAARN CNC(=O)C1(NC(=O)[C@@H](C)NC(=O)c2ccco2)CCCCC1 ZINC000065577250 184367992 /nfs/dbraw/zinc/36/79/92/184367992.db2.gz IFIQPRLGJHZFLH-LLVKDONJSA-N 0 0 321.377 0.963 50 0 DCAARN CN(CC(=O)NCC1(C(N)=O)CCOCC1)c1ccccc1 ZINC000065866561 184381496 /nfs/dbraw/zinc/38/14/96/184381496.db2.gz MQRABKNPQCHIIS-UHFFFAOYSA-N 0 0 305.378 0.521 50 0 DCAARN Cn1cc([C@@H](NC(=O)c2ccc(N)nc2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244673935 256605321 /nfs/dbraw/zinc/60/53/21/256605321.db2.gz HYJMSOLVZRGNMM-SUHUHFCYSA-N 0 0 301.350 0.639 50 0 DCAARN Cc1noc(C)c1CN1CCN(C(=O)CCn2cnnn2)CC1 ZINC000524735484 257213118 /nfs/dbraw/zinc/21/31/18/257213118.db2.gz FHEKAEJGLLZXOV-UHFFFAOYSA-N 0 0 319.369 0.012 50 0 DCAARN COc1c[nH]c(C(=O)NC[C@@H]2COc3ccccc3O2)cc1=O ZINC000524733653 257213169 /nfs/dbraw/zinc/21/31/69/257213169.db2.gz AEHLYUWXSZHTGY-SNVBAGLBSA-N 0 0 316.313 0.953 50 0 DCAARN COc1c2c(c(CNC(C)=O)c3c1C(=O)N(C)CC3)OCO2 ZINC000524729103 257214096 /nfs/dbraw/zinc/21/40/96/257214096.db2.gz CPNLXBYEQWGJHO-UHFFFAOYSA-N 0 0 306.318 0.688 50 0 biogenic DCAARN Cn1cnc(CNC(=O)CC2(n3cccc3)CCOCC2)n1 ZINC000524732668 257214269 /nfs/dbraw/zinc/21/42/69/257214269.db2.gz HHCVQEICEXWCCH-UHFFFAOYSA-N 0 0 303.366 0.829 50 0 DCAARN Cn1c(=O)c(C(=O)NCCCn2ccnn2)cc2c1CCCC2 ZINC000426689854 257243957 /nfs/dbraw/zinc/24/39/57/257243957.db2.gz KXDDINMNIFPXBH-UHFFFAOYSA-N 0 0 315.377 0.676 50 0 DCAARN Cc1ccn2c(F)c(C(=O)NCCc3nncn3C)nc2c1 ZINC000426683786 257244171 /nfs/dbraw/zinc/24/41/71/257244171.db2.gz JDJODDGGHMUGGJ-UHFFFAOYSA-N 0 0 302.313 0.883 50 0 DCAARN COc1ncc(C(=O)N2CCC[C@H](c3nnc(C)[nH]3)C2)cn1 ZINC000426604684 257244843 /nfs/dbraw/zinc/24/48/43/257244843.db2.gz YAWLZLGNSSEQRA-JTQLQIEISA-N 0 0 302.338 0.932 50 0 DCAARN O=C(NCCc1c[nH]cn1)N1CCN(c2cnccn2)CC1 ZINC000426491345 257248219 /nfs/dbraw/zinc/24/82/19/257248219.db2.gz CNXVLEYAWHLHJK-UHFFFAOYSA-N 0 0 301.354 0.274 50 0 DCAARN Cn1cnnc1CCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000426442699 257249926 /nfs/dbraw/zinc/24/99/26/257249926.db2.gz RCUPIEKWWIEIPS-GFCCVEGCSA-N 0 0 315.381 0.323 50 0 DCAARN CCn1ncnc1[C@@H](NC(=O)Cn1ccccc1=O)C1CC1 ZINC000426436809 257250143 /nfs/dbraw/zinc/25/01/43/257250143.db2.gz XFXHOMYRQXXTAL-AWEZNQCLSA-N 0 0 301.350 0.727 50 0 DCAARN Cc1cc(=O)c(C(=O)N2CCC3(CCC(=O)N3C)CC2)cn1C ZINC000426382785 257252636 /nfs/dbraw/zinc/25/26/36/257252636.db2.gz PFSHKRIUUWXKQF-UHFFFAOYSA-N 0 0 317.389 0.921 50 0 DCAARN COCc1noc(CN2CCn3nc(CNC(C)=O)cc3C2)n1 ZINC000426381381 257252670 /nfs/dbraw/zinc/25/26/70/257252670.db2.gz BOKHOYAPLGQYBI-UHFFFAOYSA-N 0 0 320.353 0.064 50 0 DCAARN CCN(CC)S(=O)(=O)CCNC(=O)c1cccc2c[nH]nc21 ZINC000071883478 184887084 /nfs/dbraw/zinc/88/70/84/184887084.db2.gz KZZYTUFXKCJMHS-UHFFFAOYSA-N 0 0 324.406 0.964 50 0 DCAARN COC(=O)[C@]1(C)CN(C(=O)N[C@H]2CC[S@@](=O)C2)C[C@H]1C ZINC000252488104 291979287 /nfs/dbraw/zinc/97/92/87/291979287.db2.gz IJMNFZZCBJMWCF-RWYULXOQSA-N 0 0 302.396 0.348 50 0 DCAARN C[C@@H]1CCC[C@H](NC(=O)NC(=O)CN2CCNC(=O)C2)[C@@H]1C ZINC000014183497 296481266 /nfs/dbraw/zinc/48/12/66/296481266.db2.gz SZPATKVSTWQRCM-UTUOFQBUSA-N 0 0 310.398 0.069 50 0 DCAARN CCS(=O)(=O)NC1CCN(C(=O)Cc2ccoc2)CC1 ZINC000119660937 132135371 /nfs/dbraw/zinc/13/53/71/132135371.db2.gz MAUSZQKBBMIDTL-UHFFFAOYSA-N 0 0 300.380 0.752 50 0 DCAARN CN(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1 ZINC000008686241 134489350 /nfs/dbraw/zinc/48/93/50/134489350.db2.gz MLMAOKHLXUQOMZ-UHFFFAOYSA-N 0 0 319.325 0.062 50 0 DCAARN CS(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000008169555 395684175 /nfs/dbraw/zinc/68/41/75/395684175.db2.gz XLQXMNMPFSZVKN-UHFFFAOYSA-N 0 0 312.800 0.168 50 0 DCAARN NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000008216648 395684207 /nfs/dbraw/zinc/68/42/07/395684207.db2.gz SSXHKCMAQMKLMV-CYBMUJFWSA-N 0 0 315.373 0.763 50 0 DCAARN CCCn1c(=O)c2c(nc3n(CCO)c(C)c(C)n32)n(C)c1=O ZINC000008710196 395684904 /nfs/dbraw/zinc/68/49/04/395684904.db2.gz DLUWJSZJRQYQNN-UHFFFAOYSA-N 0 0 319.365 0.169 50 0 DCAARN COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1 ZINC000008769326 395684929 /nfs/dbraw/zinc/68/49/29/395684929.db2.gz WTROPKYIUGAZEN-UHFFFAOYSA-N 0 0 317.345 0.852 50 0 DCAARN C[C@H](Sc1nc(N)nc(N)n1)C(=O)NCc1cccs1 ZINC000008750007 395684953 /nfs/dbraw/zinc/68/49/53/395684953.db2.gz WYJXCKFOKHWFCW-LURJTMIESA-N 0 0 310.408 0.895 50 0 DCAARN COC(=O)Cn1c2sc(C(C)=O)c(C)c2c(=O)n(C)c1=O ZINC000009183777 395685115 /nfs/dbraw/zinc/68/51/15/395685115.db2.gz CKTZBHDRNITFOC-UHFFFAOYSA-N 0 0 310.331 0.446 50 0 DCAARN CCc1nnc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)s1 ZINC000009048304 395685162 /nfs/dbraw/zinc/68/51/62/395685162.db2.gz DKRCUZBPFFXPOH-SSDOTTSWSA-N 0 0 304.397 0.463 50 0 DCAARN O=S1(=O)C[C@@H]2NC(=S)N(Cc3ccc(F)cc3)[C@@H]2C1 ZINC000009485495 395685373 /nfs/dbraw/zinc/68/53/73/395685373.db2.gz OQNXOTBWPVUGAS-WDEREUQCSA-N 0 0 300.380 0.681 50 0 DCAARN COc1cccc([C@@H]2CCCN2CC(=O)N2CCNC(=O)C2)c1 ZINC000009903264 395685564 /nfs/dbraw/zinc/68/55/64/395685564.db2.gz LFLYTVKBZFNPSU-HNNXBMFYSA-N 0 0 317.389 0.791 50 0 DCAARN COc1ccccc1[C@@H](C)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000010031303 395685752 /nfs/dbraw/zinc/68/57/52/395685752.db2.gz DCWSSLXYXCCZCW-KOLCDFICSA-N 0 0 305.334 0.861 50 0 DCAARN C[C@H](NC(N)=O)C(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000010222256 395685916 /nfs/dbraw/zinc/68/59/16/395685916.db2.gz OPGKMZPNWCDYCE-NSHDSACASA-N 0 0 301.350 0.588 50 0 DCAARN CC(=O)N1CCC(C(=O)NCc2c(C)cc(C)[nH]c2=O)CC1 ZINC000010458087 395686093 /nfs/dbraw/zinc/68/60/93/395686093.db2.gz WVBTZCNEQJSENA-UHFFFAOYSA-N 0 0 305.378 0.866 50 0 DCAARN CC(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2cc(C)on2)C1 ZINC000010745104 395686208 /nfs/dbraw/zinc/68/62/08/395686208.db2.gz PYNCTUYBIVKCPS-NSHDSACASA-N 0 0 309.322 0.723 50 0 DCAARN O=C(CNc1ccccc1C(=O)NC1CC1)N1CCNC1=O ZINC000010762476 395686235 /nfs/dbraw/zinc/68/62/35/395686235.db2.gz KNHIACQMYBUGOI-UHFFFAOYSA-N 0 0 302.334 0.543 50 0 DCAARN Nc1nccnc1C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000011238811 395686353 /nfs/dbraw/zinc/68/63/53/395686353.db2.gz JZUGYGYOQMXKCS-UHFFFAOYSA-N 0 0 300.318 0.803 50 0 DCAARN COc1ccc(OC)c(CNC(=O)CC[C@@H]2NC(=O)NC2=O)c1 ZINC000025829285 395693892 /nfs/dbraw/zinc/69/38/92/395693892.db2.gz HHTYECNWCHPMAO-NSHDSACASA-N 0 0 321.333 0.308 50 0 DCAARN O=C(COc1ccc(F)cc1F)NCCn1ncccc1=O ZINC000011856232 395686856 /nfs/dbraw/zinc/68/68/56/395686856.db2.gz TWRQVYQOUQDUCC-UHFFFAOYSA-N 0 0 309.272 0.717 50 0 DCAARN O=c1cccnn1CCNS(=O)(=O)c1ccccc1Cl ZINC000011856379 395686923 /nfs/dbraw/zinc/68/69/23/395686923.db2.gz ZRVSIFQPKFPNOB-UHFFFAOYSA-N 0 0 313.766 0.875 50 0 DCAARN C[C@H](O)CN1CC2=C(C1=O)[C@@H](c1ccc(F)cc1)NC(=O)N2 ZINC000012345865 395687325 /nfs/dbraw/zinc/68/73/25/395687325.db2.gz CRWYIKADYNRFIW-ISVAXAHUSA-N 0 0 305.309 0.657 50 0 DCAARN Nn1c(=O)cnnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000012347740 395687460 /nfs/dbraw/zinc/68/74/60/395687460.db2.gz FHFUTCAFBLYGJW-UHFFFAOYSA-N 0 0 311.754 0.736 50 0 DCAARN Cn1nnc2c1ncn(CC(=O)N1CCCc3ccccc31)c2=O ZINC000012443913 395687644 /nfs/dbraw/zinc/68/76/44/395687644.db2.gz DRFOHKYFSGCBMP-UHFFFAOYSA-N 0 0 324.344 0.504 50 0 DCAARN O=C1C[C@H](Nc2ccc3c(c2)NC(=O)CO3)C(=O)N1C1CC1 ZINC000012538516 395687818 /nfs/dbraw/zinc/68/78/18/395687818.db2.gz SCCATPMTVDVIQE-NSHDSACASA-N 0 0 301.302 0.719 50 0 DCAARN O=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)N1CCCC1 ZINC000012742130 395688044 /nfs/dbraw/zinc/68/80/44/395688044.db2.gz DFSOWBLEGUBOFU-UHFFFAOYSA-N 0 0 313.379 0.272 50 0 DCAARN CCNC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O ZINC000012916904 395688203 /nfs/dbraw/zinc/68/82/03/395688203.db2.gz NFQBNHNSSFKAGB-AWEZNQCLSA-N 0 0 311.288 0.868 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)NCCc1c[nH]c2ccccc12 ZINC000012914535 395688227 /nfs/dbraw/zinc/68/82/27/395688227.db2.gz LYZZYQNFWJFTRO-UHFFFAOYSA-N 0 0 312.329 0.377 50 0 DCAARN OC[C@@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@H]1O ZINC000013514546 395688549 /nfs/dbraw/zinc/68/85/49/395688549.db2.gz MWHKPYATGMFFPI-RFBLXINOSA-N 0 0 306.314 0.019 50 0 DCAARN CCn1nnc2c1ncnc2N1CCN(C(=O)C(C)(C)C)CC1 ZINC000013532962 395688731 /nfs/dbraw/zinc/68/87/31/395688731.db2.gz DJDPCIMGSKTRGQ-UHFFFAOYSA-N 0 0 317.397 0.936 50 0 DCAARN O=C(COCC(=O)N1CCc2ccccc2C1)N1CCOCC1 ZINC000013942278 395689029 /nfs/dbraw/zinc/68/90/29/395689029.db2.gz DYOLLQDZPDRTJA-UHFFFAOYSA-N 0 0 318.373 0.447 50 0 DCAARN COC(=O)[C@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1OC ZINC000014070665 395689083 /nfs/dbraw/zinc/68/90/83/395689083.db2.gz ADHPQXJCXVWYRQ-ZETCQYMHSA-N 0 0 317.319 0.061 50 0 DCAARN Cc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCCO)C3)cc1 ZINC000014113970 395689093 /nfs/dbraw/zinc/68/90/93/395689093.db2.gz KKNBYLWKGJWRNH-AWEZNQCLSA-N 0 0 301.346 0.828 50 0 DCAARN Cc1cnc2n(c1=O)[C@@H](CC(=O)NC[C@@H]1CCCO1)CS2 ZINC000014032017 395689136 /nfs/dbraw/zinc/68/91/36/395689136.db2.gz UCIKSRQITKYECZ-QWRGUYRKSA-N 0 0 309.391 0.884 50 0 DCAARN Cc1cnc2n(c1=O)[C@@H](CC(=O)NC[C@H]1CCCO1)CS2 ZINC000014032020 395689161 /nfs/dbraw/zinc/68/91/61/395689161.db2.gz UCIKSRQITKYECZ-WDEREUQCSA-N 0 0 309.391 0.884 50 0 DCAARN O=C(CN1CCN(c2ncnc3n[nH]cc32)CC1)N1CCCC1 ZINC000014230382 395689296 /nfs/dbraw/zinc/68/92/96/395689296.db2.gz UGCGNRUWSGSTPR-UHFFFAOYSA-N 0 0 315.381 0.097 50 0 DCAARN COc1ccc(NC(=O)[C@@H](C)N2CCNC(=O)C2)cc1OC ZINC000014930448 395689614 /nfs/dbraw/zinc/68/96/14/395689614.db2.gz JNZHLVGWDCSHHO-SNVBAGLBSA-N 0 0 307.350 0.463 50 0 DCAARN COc1cc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc(OC)c1 ZINC000015314864 395689942 /nfs/dbraw/zinc/68/99/42/395689942.db2.gz QEDNBYULGZEJOW-UHFFFAOYSA-N 0 0 321.333 0.973 50 0 DCAARN CC(C)OCCCNC(=O)c1cnc(N2CCOCC2)nc1 ZINC000015777917 395690148 /nfs/dbraw/zinc/69/01/48/395690148.db2.gz UDSZZCUAKUHPBV-UHFFFAOYSA-N 0 0 308.382 0.858 50 0 DCAARN NC(=O)NCc1cn(C2CCN(c3ncccc3F)CC2)nn1 ZINC000019218395 395691074 /nfs/dbraw/zinc/69/10/74/395691074.db2.gz DNSNAXDJAWIDOV-UHFFFAOYSA-N 0 0 319.344 0.822 50 0 DCAARN O=C(c1nc2ncccn2n1)N1CCN(c2ccccc2)C(=O)C1 ZINC000020587012 395691358 /nfs/dbraw/zinc/69/13/58/395691358.db2.gz GUCPPWNHTGRSQD-UHFFFAOYSA-N 0 0 322.328 0.613 50 0 DCAARN O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)N1CCOCC1 ZINC000024487688 395693043 /nfs/dbraw/zinc/69/30/43/395693043.db2.gz DKYWKTZJTJRHMD-LLVKDONJSA-N 0 0 318.329 0.627 50 0 DCAARN CCn1c(NCc2ccccn2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000105209 395679825 /nfs/dbraw/zinc/67/98/25/395679825.db2.gz DWLUQZHZDLIOEP-UHFFFAOYSA-N 0 0 314.349 0.461 50 0 DCAARN COc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F ZINC000000092097 395679847 /nfs/dbraw/zinc/67/98/47/395679847.db2.gz ONKGEZYELRDPRU-UHFFFAOYSA-N 0 0 318.308 0.630 50 0 biogenic DCAARN COc1cc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)ccc1OC(C)=O ZINC000000099298 395679855 /nfs/dbraw/zinc/67/98/55/395679855.db2.gz FHVNLQKHFIHMQR-UHFFFAOYSA-N 0 0 319.273 0.249 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000000153890 395679909 /nfs/dbraw/zinc/67/99/09/395679909.db2.gz UAWCUOHGQGVWOK-UHFFFAOYSA-N 0 0 302.352 0.819 50 0 DCAARN O=C1NCCN1CCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000000146509 395680014 /nfs/dbraw/zinc/68/00/14/395680014.db2.gz IITLMTLWVWPJAU-UHFFFAOYSA-N 0 0 321.761 0.783 50 0 DCAARN COC(=O)Cn1cnc2c(nnn2-c2ccc(OC)cc2)c1=O ZINC000000252842 395680101 /nfs/dbraw/zinc/68/01/01/395680101.db2.gz GPFKIMPLOAYXRU-UHFFFAOYSA-N 0 0 315.289 0.159 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1 ZINC000000416420 395680464 /nfs/dbraw/zinc/68/04/64/395680464.db2.gz XEQWGVNVNHASGD-UHFFFAOYSA-N 0 0 306.347 0.979 50 0 DCAARN COc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1C ZINC000000612860 395680525 /nfs/dbraw/zinc/68/05/25/395680525.db2.gz SIAQZHZICPICGQ-UHFFFAOYSA-N 0 0 314.345 0.799 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccccc3F)C(=O)[C@]2(C)NN1 ZINC000000545919 395680555 /nfs/dbraw/zinc/68/05/55/395680555.db2.gz WFVRFFIRAMABOE-YMTOWFKASA-N 0 0 305.265 0.206 50 0 DCAARN CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000001003777 395680706 /nfs/dbraw/zinc/68/07/06/395680706.db2.gz CGUHZFAVYGANEQ-UHFFFAOYSA-N 0 0 301.393 0.770 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOCC2)cc1 ZINC000001399401 395680812 /nfs/dbraw/zinc/68/08/12/395680812.db2.gz ICQNFTKUCDVHHJ-UHFFFAOYSA-N 0 0 313.379 0.801 50 0 DCAARN COC(=O)[C@@H](CC[S@@](C)=O)N1C(=O)c2ccccc2C1=O ZINC000002025803 395681347 /nfs/dbraw/zinc/68/13/47/395681347.db2.gz DGMCKCSWJWXVQK-FIKIJFGZSA-N 0 0 309.343 0.593 50 0 DCAARN CCN(CC)c1c(-c2c(=O)c(=O)c2N(CC)CC)c(=O)c1=O ZINC000002154152 395681368 /nfs/dbraw/zinc/68/13/68/395681368.db2.gz RCTMUSZXCTZWCZ-UHFFFAOYSA-N 0 0 304.346 0.238 50 0 DCAARN COC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000002559966 395681641 /nfs/dbraw/zinc/68/16/41/395681641.db2.gz CUCAZZQPISJXOS-GHMZBOCLSA-N 0 0 308.334 0.979 50 0 DCAARN COc1cccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1 ZINC000002713062 395681759 /nfs/dbraw/zinc/68/17/59/395681759.db2.gz COKIPQMOOFRIMI-UHFFFAOYSA-N 0 0 313.317 0.777 50 0 DCAARN Cc1nn(C)cc1/C=C1\NC(=S)N(C[C@H]2CCCO2)C1=O ZINC000002770926 395681833 /nfs/dbraw/zinc/68/18/33/395681833.db2.gz DPWZCPNQNDGIEZ-MDUDVEDUSA-N 0 0 306.391 0.965 50 0 DCAARN COc1cc(C(=S)N2CCN(C)CC2)ccc1OCC(N)=O ZINC000002887008 395682099 /nfs/dbraw/zinc/68/20/99/395682099.db2.gz JEJLFHMMPFHAIM-UHFFFAOYSA-N 0 0 323.418 0.482 50 0 DCAARN Cc1nnsc1C(=O)NCCNC(=O)c1snnc1C ZINC000003129535 395682299 /nfs/dbraw/zinc/68/22/99/395682299.db2.gz VYXPLQQPYLOXAI-UHFFFAOYSA-N 0 0 312.380 0.166 50 0 DCAARN O=C(NCCCO)C(=O)Nc1ccc(Br)cc1 ZINC000003060097 395682331 /nfs/dbraw/zinc/68/23/31/395682331.db2.gz VBCMAGMDRFHMON-UHFFFAOYSA-N 0 0 301.140 0.886 50 0 DCAARN CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000003263854 395682430 /nfs/dbraw/zinc/68/24/30/395682430.db2.gz FCKFMFZYTAEQMP-JTQLQIEISA-N 0 0 307.368 0.633 50 0 DCAARN Cn1c(=O)cc(Nc2ccc(N3CCOCC3)cc2)n(C)c1=O ZINC000004063864 395682522 /nfs/dbraw/zinc/68/25/22/395682522.db2.gz KRUJUHZCJVSOHD-UHFFFAOYSA-N 0 0 316.361 0.664 50 0 DCAARN NS(=O)(=O)c1ccc(OCCOC(=O)c2cnccn2)cc1 ZINC000008064498 395683864 /nfs/dbraw/zinc/68/38/64/395683864.db2.gz CVUBHYDYRQYRRN-UHFFFAOYSA-N 0 0 323.330 0.360 50 0 DCAARN COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@H](C)O)C3)cc1 ZINC000008132261 395683955 /nfs/dbraw/zinc/68/39/55/395683955.db2.gz VMZNKNWJKCMAAH-XPTSAGLGSA-N 0 0 317.345 0.526 50 0 DCAARN CCCCNC(=O)CN1CCN(Cc2nnc(CC)o2)CC1 ZINC000029698910 395699945 /nfs/dbraw/zinc/69/99/45/395699945.db2.gz GCMXAKJGBWWLND-UHFFFAOYSA-N 0 0 309.414 0.666 50 0 DCAARN O=S(=O)(C1CC1)N1CCN(C[C@@H](O)c2ccco2)CC1 ZINC000085467166 395700977 /nfs/dbraw/zinc/70/09/77/395700977.db2.gz LHPOGWNRRUDSON-GFCCVEGCSA-N 0 0 300.380 0.423 50 0 DCAARN COc1ccc(CC(=O)N[C@@H]2C[C@@H](O)[C@H](CO)C2)cc1OC ZINC000085469007 395701035 /nfs/dbraw/zinc/70/10/35/395701035.db2.gz XWIMUYQFZPMMGW-RWMBFGLXSA-N 0 0 309.362 0.494 50 0 DCAARN C[C@H](CNC(=O)NCc1ccc2c(c1)OCO2)N1CCOCC1 ZINC000031052554 395705220 /nfs/dbraw/zinc/70/52/20/395705220.db2.gz SZGLGCOZSBQAOO-GFCCVEGCSA-N 0 0 321.377 0.935 50 0 DCAARN O=C(Nc1nncs1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000031273316 395706105 /nfs/dbraw/zinc/70/61/05/395706105.db2.gz QTLQBIJZEYAQOW-SECBINFHSA-N 0 0 303.347 0.920 50 0 DCAARN O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)N1CCCC1 ZINC000032090427 395708785 /nfs/dbraw/zinc/70/87/85/395708785.db2.gz FJAVPLGFPTVKMX-CYBMUJFWSA-N 0 0 315.373 0.778 50 0 DCAARN COCCNC(=O)c1nc(-c2cnn3c2nc(C)cc3C)no1 ZINC000032106047 395709354 /nfs/dbraw/zinc/70/93/54/395709354.db2.gz XJLQEQZGYFWNIN-UHFFFAOYSA-N 0 0 316.321 0.772 50 0 DCAARN COc1ccccc1C(=O)N1CCn2c1cc1ccccc1c2=O ZINC000032124536 395709454 /nfs/dbraw/zinc/70/94/54/395709454.db2.gz ZFOHOJHWEHUKSR-UHFFFAOYSA-O 0 0 321.356 0.680 50 0 DCAARN CC(=O)N[C@@H](C)C(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1 ZINC000032355439 395710430 /nfs/dbraw/zinc/71/04/30/395710430.db2.gz JYFOMENEHKCXCV-VIFPVBQESA-N 0 0 313.379 0.830 50 0 DCAARN Cc1cc(C)c(C(N)=O)c(N(C)C[C@H](C)N2CCOCC2)n1 ZINC000032558413 395711543 /nfs/dbraw/zinc/71/15/43/395711543.db2.gz NATWLTFZJVFRDN-ZDUSSCGKSA-N 0 0 306.410 0.954 50 0 DCAARN Cn1c(=O)ccn(CC(=O)NCCc2cccc(F)c2)c1=O ZINC000032715924 395712735 /nfs/dbraw/zinc/71/27/35/395712735.db2.gz UDMWDHLYLOYNMM-UHFFFAOYSA-N 0 0 305.309 0.045 50 0 DCAARN O=C(CNC(=O)Cc1ccccc1)NCCC(=O)N1CCCC1 ZINC000032716743 395712946 /nfs/dbraw/zinc/71/29/46/395712946.db2.gz IPKMGSQKMOFVFE-UHFFFAOYSA-N 0 0 317.389 0.474 50 0 DCAARN Cc1ccc(NC(=O)N[C@@H](C)CO)cc1NC(=O)N[C@H](C)CO ZINC000032779575 395713222 /nfs/dbraw/zinc/71/32/22/395713222.db2.gz HSDWQNBWRAIATL-WDEREUQCSA-N 0 0 324.381 1.000 50 0 DCAARN Cn1c(=O)c2ccc(C(=O)N3CCCCCC3)nc2n(C)c1=O ZINC000032778262 395713272 /nfs/dbraw/zinc/71/32/72/395713272.db2.gz WURSQGTYOHTYGM-UHFFFAOYSA-N 0 0 316.361 0.648 50 0 DCAARN CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(F)cc1 ZINC000032771352 395713403 /nfs/dbraw/zinc/71/34/03/395713403.db2.gz VCTXBPVBZRHAFB-UHFFFAOYSA-N 0 0 310.372 0.043 50 0 DCAARN CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000089662479 395713826 /nfs/dbraw/zinc/71/38/26/395713826.db2.gz XUAROYMBWWDSCZ-MNOVXSKESA-N 0 0 320.411 0.009 50 0 DCAARN COC[C@H](C)NC(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O ZINC000032827193 395713777 /nfs/dbraw/zinc/71/37/77/395713777.db2.gz XWAHHSYAENHCKE-VIFPVBQESA-N 0 0 320.393 0.962 50 0 DCAARN CC(=O)Nc1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000032912717 395714260 /nfs/dbraw/zinc/71/42/60/395714260.db2.gz JGNBFIYVMHNRBF-GWCFXTLKSA-N 0 0 308.359 0.795 50 0 DCAARN CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(Cc2nccn2C)C1 ZINC000089718333 395714525 /nfs/dbraw/zinc/71/45/25/395714525.db2.gz CWRVOGWFHPTDTL-CYBMUJFWSA-N 0 0 318.381 0.735 50 0 DCAARN O=S(=O)(NCc1ccc(-n2cncn2)nc1)N1CCCCC1 ZINC000032932886 395714785 /nfs/dbraw/zinc/71/47/85/395714785.db2.gz SQQVKOTVHBERFK-UHFFFAOYSA-N 0 0 322.394 0.483 50 0 DCAARN O=C(c1cccnc1-n1cccn1)N1CCN(C2CC2)C(=O)C1 ZINC000089774285 395714937 /nfs/dbraw/zinc/71/49/37/395714937.db2.gz SOMBNTIFGWDRNR-UHFFFAOYSA-N 0 0 311.345 0.714 50 0 DCAARN C[C@H](CC(=O)N[C@H]1CCC(=O)N(C)C1)NC(=O)C1CCCC1 ZINC000089894531 395715784 /nfs/dbraw/zinc/71/57/84/395715784.db2.gz PBMJMJALTOEGDK-YPMHNXCESA-N 0 0 309.410 0.808 50 0 DCAARN CCOC(=O)c1noc2ncn(CC(=O)N(CC)CC)c(=O)c21 ZINC000033267545 395716933 /nfs/dbraw/zinc/71/69/33/395716933.db2.gz ZJYRHMHGHRKULG-UHFFFAOYSA-N 0 0 322.321 0.430 50 0 DCAARN CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000035220080 395719651 /nfs/dbraw/zinc/71/96/51/395719651.db2.gz DWLYSGKIEPPDHN-LBPRGKRZSA-N 0 0 304.412 0.992 50 0 DCAARN CN1C(=O)Cc2cc(S(=O)(=O)N3CCN(C)CC3)ccc21 ZINC000036040171 395721707 /nfs/dbraw/zinc/72/17/07/395721707.db2.gz DWERQDAEJIOSSU-UHFFFAOYSA-N 0 0 309.391 0.142 50 0 DCAARN COc1ccc(C(=O)O[C@@H](C)C(=O)N2CCOCC2)c(O)c1 ZINC000028698921 395696121 /nfs/dbraw/zinc/69/61/21/395696121.db2.gz PPTIIUFOMVXNCZ-JTQLQIEISA-N 0 0 309.318 0.805 50 0 DCAARN Cc1ccn2ncc(C(=O)N(C)CCN3CCCC3=O)c2n1 ZINC000084248043 395696714 /nfs/dbraw/zinc/69/67/14/395696714.db2.gz WINTVPGHSBLUNF-UHFFFAOYSA-N 0 0 301.350 0.732 50 0 DCAARN Cc1ccc([C@@H]2NC(=O)Nc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000038671251 395732216 /nfs/dbraw/zinc/73/22/16/395732216.db2.gz IPBRMNWRTKQFRF-VIFPVBQESA-N 0 0 306.347 0.678 50 0 DCAARN Cc1noc(CCCC(=O)N2CCN(c3ncccn3)CC2)n1 ZINC000041686883 395739125 /nfs/dbraw/zinc/73/91/25/395739125.db2.gz CEEVNFHRKWEPPK-UHFFFAOYSA-N 0 0 316.365 0.840 50 0 DCAARN CN1CCO[C@@H](CN(C(=O)[C@@H]2CCOC2)c2nccs2)C1 ZINC000095402120 395740360 /nfs/dbraw/zinc/74/03/60/395740360.db2.gz LMTREDNPAVMVGJ-VXGBXAGGSA-N 0 0 311.407 0.843 50 0 DCAARN CCn1c2ccc(C(=O)NC[C@H]3CCOC3)cc2[nH]c(=O)c1=O ZINC000041376697 395736865 /nfs/dbraw/zinc/73/68/65/395736865.db2.gz ACLNAUYJCRLXNX-SNVBAGLBSA-N 0 0 317.345 0.476 50 0 DCAARN C[C@]1(O)CCN(C(=O)Cn2ccnc2-c2ccccc2)C[C@@H]1O ZINC000096153440 395746556 /nfs/dbraw/zinc/74/65/56/395746556.db2.gz NPPALLSBNUGCOA-YOEHRIQHSA-N 0 0 315.373 0.894 50 0 DCAARN CCc1nc(N2C[C@H]3C[N@H+](CCO)C[C@@]3(C(=O)[O-])C2)ncc1C ZINC000096165159 395746648 /nfs/dbraw/zinc/74/66/48/395746648.db2.gz UCWVPPFRBIXLCO-MLGOLLRUSA-N 0 0 320.393 0.163 50 0 DCAARN Cc1nnc2n1[C@@H](C)CN(C(=O)Cn1nc3ccccc3n1)C2 ZINC000096152214 395746821 /nfs/dbraw/zinc/74/68/21/395746821.db2.gz YFQLOUFWPWILCJ-JTQLQIEISA-N 0 0 311.349 0.935 50 0 DCAARN CN(CCNS(C)(=O)=O)Cc1cn(C)nc1C(F)(F)F ZINC000095432632 395740787 /nfs/dbraw/zinc/74/07/87/395740787.db2.gz QSACOSBVGBMNCX-UHFFFAOYSA-N 0 0 314.333 0.420 50 0 DCAARN O=C(NCCn1ccnc1)c1cccnc1N1CCOCC1 ZINC000041980021 395741132 /nfs/dbraw/zinc/74/11/32/395741132.db2.gz HFSTYCWBUCDWIN-UHFFFAOYSA-N 0 0 301.350 0.545 50 0 DCAARN CCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccn1 ZINC000095523292 395741147 /nfs/dbraw/zinc/74/11/47/395741147.db2.gz CNPMDZCYZUNLQD-GXTWGEPZSA-N 0 0 323.418 0.854 50 0 DCAARN CC(C)n1cc(N2C[C@@H](C(=O)N3CCN(C)CC3)CC2=O)cn1 ZINC000096101482 395744318 /nfs/dbraw/zinc/74/43/18/395744318.db2.gz ATPHGRLMQZQRFE-ZDUSSCGKSA-N 0 0 319.409 0.591 50 0 DCAARN COc1ccc(S(=O)(=O)C2CN(S(C)(=O)=O)C2)cc1 ZINC000096121893 395745573 /nfs/dbraw/zinc/74/55/73/395745573.db2.gz UPSLULPMDSTEMT-UHFFFAOYSA-N 0 0 305.377 0.113 50 0 DCAARN COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2cnn(C)c2)o1 ZINC000096115083 395745743 /nfs/dbraw/zinc/74/57/43/395745743.db2.gz RGUZGQUXIWBCSI-NSHDSACASA-N 0 0 322.317 0.920 50 0 biogenic DCAARN Nc1cc(=O)[nH]c(CCNc2nccc(-c3ccccn3)n2)n1 ZINC000096149850 395746347 /nfs/dbraw/zinc/74/63/47/395746347.db2.gz VRFIAUXUKUSTJX-UHFFFAOYSA-N 0 0 309.333 0.859 50 0 DCAARN CCc1nc(CN2CCN(c3ncnc4nc[nH]c43)CC2)no1 ZINC000096456224 395753729 /nfs/dbraw/zinc/75/37/29/395753729.db2.gz AAJWDVQFLWRKKV-UHFFFAOYSA-N 0 0 314.353 0.621 50 0 DCAARN COc1ccc(Cn2cc(C(C)=O)c(=O)n(C)c2=O)cc1F ZINC000096466339 395753807 /nfs/dbraw/zinc/75/38/07/395753807.db2.gz OKJFWLNQUORYCM-UHFFFAOYSA-N 0 0 306.293 0.946 50 0 DCAARN CN1C(=O)[C@H](CC(=O)NCc2ccc(F)c(F)c2)N(C)C1=O ZINC000097447120 395758212 /nfs/dbraw/zinc/75/82/12/395758212.db2.gz JHMFZLHXZTYTBQ-NSHDSACASA-N 0 0 311.288 0.864 50 0 DCAARN CCn1ccnc1C1CCN(C(=O)Cn2cccnc2=O)CC1 ZINC000097474882 395758214 /nfs/dbraw/zinc/75/82/14/395758214.db2.gz YLTZLVIGXAGNBQ-UHFFFAOYSA-N 0 0 315.377 0.866 50 0 DCAARN CCc1nnc(CN2CCN(c3cncc(OC)n3)CC2)[nH]1 ZINC000097096423 395755299 /nfs/dbraw/zinc/75/52/99/395755299.db2.gz GMDHMUUXWQXXAL-UHFFFAOYSA-N 0 0 303.370 0.488 50 0 DCAARN CCCn1nc(C(=O)N[C@@H]2CCc3nnc(C)n3C2)ccc1=O ZINC000097198849 395755614 /nfs/dbraw/zinc/75/56/14/395755614.db2.gz ITAGNLYKUZMAKS-LLVKDONJSA-N 0 0 316.365 0.298 50 0 DCAARN O=C(CN1CCC(c2cn[nH]c2)CC1)N[C@@H]1CCCCNC1=O ZINC000097203527 395755975 /nfs/dbraw/zinc/75/59/75/395755975.db2.gz QAFFWZQGASMYRU-CQSZACIVSA-N 0 0 319.409 0.374 50 0 DCAARN Cc1cc(C)cc(-n2ncc(C(=O)NCCCC(N)=O)n2)c1 ZINC000097237632 395756413 /nfs/dbraw/zinc/75/64/13/395756413.db2.gz YHHPXMKXSXCVHM-UHFFFAOYSA-N 0 0 301.350 0.879 50 0 DCAARN Cc1nc(CN2CCN(C(=O)C3CC=CC3)C[C@H](O)C2)c[nH]1 ZINC000097436946 395757439 /nfs/dbraw/zinc/75/74/39/395757439.db2.gz BUNCQRZOWIEUQF-OAHLLOKOSA-N 0 0 304.394 0.689 50 0 DCAARN O=C([O-])[C@@H]1C[NH2+]CCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000097394415 395757564 /nfs/dbraw/zinc/75/75/64/395757564.db2.gz KIPDSXOIEWVSHZ-LLVKDONJSA-N 0 0 306.337 0.990 50 0 DCAARN Cn1nc(C(=O)NCCCn2nnc3ccccc32)ccc1=O ZINC000097514980 395758633 /nfs/dbraw/zinc/75/86/33/395758633.db2.gz YEQCDTJROIPGQX-UHFFFAOYSA-N 0 0 312.333 0.345 50 0 DCAARN CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Cn1cccnc1=O ZINC000097572296 395759260 /nfs/dbraw/zinc/75/92/60/395759260.db2.gz CBVYNVSROISTOR-GFCCVEGCSA-N 0 0 303.366 0.671 50 0 DCAARN O=C([O-])[C@@H]1C[NH2+]CCN(Cc2cc(-c3ccccn3)no2)C1 ZINC000097636736 395759663 /nfs/dbraw/zinc/75/96/63/395759663.db2.gz VEXNERXXSWSREK-LLVKDONJSA-N 0 0 302.334 0.843 50 0 DCAARN C[C@@H](NC(=O)c1cc(=O)n(C)c(=O)n1C)c1ccc(O)c(F)c1 ZINC000097634995 395759973 /nfs/dbraw/zinc/75/99/73/395759973.db2.gz WJFXPBWJOKBNOE-MRVPVSSYSA-N 0 0 321.308 0.420 50 0 DCAARN Cn1c(=O)cc(C(=O)N2CCC[C@@]3(CCCO3)CC2)n(C)c1=O ZINC000097634998 395760042 /nfs/dbraw/zinc/76/00/42/395760042.db2.gz UNZRJHWYIIJJRX-MRXNPFEDSA-N 0 0 321.377 0.259 50 0 DCAARN CCN(CC)c1ccc(CNC(=O)C[C@H]2NC(=O)NC2=O)cn1 ZINC000097756296 395760194 /nfs/dbraw/zinc/76/01/94/395760194.db2.gz ZUNVCBYIPOTOJO-LLVKDONJSA-N 0 0 319.365 0.142 50 0 DCAARN Cc1ccc2nc(C(=O)N3Cc4cnn(CCO)c4C3)cn2c1 ZINC000097813599 395760809 /nfs/dbraw/zinc/76/08/09/395760809.db2.gz LCKKEILJVKUCJJ-UHFFFAOYSA-N 0 0 311.345 0.988 50 0 DCAARN COc1cccc(CNC(=O)Cn2nc3n(c2=O)CCCC3)c1 ZINC000098211246 395762148 /nfs/dbraw/zinc/76/21/48/395762148.db2.gz ZFYQAWLHIONRGU-UHFFFAOYSA-N 0 0 316.361 0.706 50 0 DCAARN COCCN1C[C@H](C(=O)NCc2cccnc2OC)CC1=O ZINC000045348234 395762650 /nfs/dbraw/zinc/76/26/50/395762650.db2.gz JIPOUQKQAMVTSJ-GFCCVEGCSA-N 0 0 307.350 0.201 50 0 DCAARN Cc1[nH][nH]c(=O)c1CCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000101143336 395764291 /nfs/dbraw/zinc/76/42/91/395764291.db2.gz ONRQHMFOZWKRIS-SECBINFHSA-N 0 0 313.317 0.165 50 0 DCAARN c1nc(N2CCOCC2)ncc1-c1n[nH]c(C2CCOCC2)n1 ZINC000102534146 395770413 /nfs/dbraw/zinc/77/04/13/395770413.db2.gz AEDYVLDPDFIYDA-UHFFFAOYSA-N 0 0 316.365 0.992 50 0 DCAARN O=S(=O)(NCc1nnc2n1CCC2)c1cc(F)cc(F)c1 ZINC000048300157 395813244 /nfs/dbraw/zinc/81/32/44/395813244.db2.gz DPVVMLGGJOJNDT-UHFFFAOYSA-N 0 0 314.317 0.981 50 0 DCAARN O=C(Nc1ccc(N2CCOCC2)nc1)[C@H]1CCC(=O)NC1 ZINC000048325547 395813311 /nfs/dbraw/zinc/81/33/11/395813311.db2.gz VFKGEGMVDPNBPB-NSHDSACASA-N 0 0 304.350 0.383 50 0 DCAARN COCC(=O)N1CCN(C(=O)Cc2noc3ccccc23)CC1 ZINC000049246544 395830221 /nfs/dbraw/zinc/83/02/21/395830221.db2.gz UZDOQJHWRPAEOS-UHFFFAOYSA-N 0 0 317.345 0.688 50 0 DCAARN COc1ccc(O[C@H]2CCN(C(=O)N3CCN(C)CC3)C2)nn1 ZINC000225441189 395860290 /nfs/dbraw/zinc/86/02/90/395860290.db2.gz FQRQWQQFUHQMJZ-LBPRGKRZSA-N 0 0 321.381 0.306 50 0 DCAARN C[C@H](Cn1cccn1)C(=O)NCc1nnnn1-c1ccccc1 ZINC000217911351 395840731 /nfs/dbraw/zinc/84/07/31/395840731.db2.gz JWCVVLOBHKVPOW-GFCCVEGCSA-N 0 0 311.349 0.811 50 0 DCAARN CC(=O)N1CC(Nc2ccc(CCc3nn[nH]n3)cc2)=CC1=O ZINC000218461485 395842804 /nfs/dbraw/zinc/84/28/04/395842804.db2.gz RMEKMOAOLACYMV-UHFFFAOYSA-N 0 0 312.333 0.669 50 0 DCAARN Nc1n[nH]c(CNC(=O)C2(N3CCOCC3)CCCCC2)n1 ZINC000219180512 395844775 /nfs/dbraw/zinc/84/47/75/395844775.db2.gz HQEZJTHKCLYJPY-UHFFFAOYSA-N 0 0 308.386 0.038 50 0 DCAARN Cc1onc(C(=O)N2CCC(CN3CCCC3=O)CC2)c1CO ZINC000219480682 395845490 /nfs/dbraw/zinc/84/54/90/395845490.db2.gz BMLXLLOZDPXRNW-UHFFFAOYSA-N 0 0 321.377 0.950 50 0 DCAARN O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H](Oc2cnccn2)C1 ZINC000225467734 395860715 /nfs/dbraw/zinc/86/07/15/395860715.db2.gz VDVWCLGGZRHMQO-GFCCVEGCSA-N 0 0 300.318 0.849 50 0 DCAARN Nc1nnnn1CC(=O)NCCCc1nc2cc(F)ccc2[nH]1 ZINC000221232126 395850131 /nfs/dbraw/zinc/85/01/31/395850131.db2.gz BSLRMRANYIQURK-UHFFFAOYSA-N 0 0 318.316 0.020 50 0 DCAARN Cc1cccnc1N1CCN(C(=O)CNC(=O)N(C)C)CC1 ZINC000221230758 395850722 /nfs/dbraw/zinc/85/07/22/395850722.db2.gz SALOGAKUCFKIJV-UHFFFAOYSA-N 0 0 305.382 0.310 50 0 DCAARN Cn1ccn2ncc(C(=O)N3CCn4nc(CO)cc4C3)c12 ZINC000222491731 395852605 /nfs/dbraw/zinc/85/26/05/395852605.db2.gz GGLIQLIVQBLYPI-UHFFFAOYSA-N 0 0 300.322 0.018 50 0 DCAARN COCc1cc(CNC(=O)c2ccc(OC)nc2OC)[nH]n1 ZINC000222397772 395852622 /nfs/dbraw/zinc/85/26/22/395852622.db2.gz DNGVJTSDDHQTJO-UHFFFAOYSA-N 0 0 306.322 0.898 50 0 DCAARN C[C@H](NS(C)(=O)=O)C(=O)N1CCC(Cn2ccnc2)CC1 ZINC000223160990 395854165 /nfs/dbraw/zinc/85/41/65/395854165.db2.gz QYEZTKFAQYKHOT-NSHDSACASA-N 0 0 314.411 0.059 50 0 DCAARN Cc1n[nH]c(C)c1CC(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 ZINC000223392101 395854803 /nfs/dbraw/zinc/85/48/03/395854803.db2.gz PMTSLONDZQBLSI-PVXIVEMSSA-N 0 0 317.393 0.931 50 0 DCAARN Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)Cn2cnnc2)cn1 ZINC000223593891 395855667 /nfs/dbraw/zinc/85/56/67/395855667.db2.gz FLPLUACWPIAWTE-KGLIPLIRSA-N 0 0 317.349 0.334 50 0 DCAARN O=C(N[C@H]1C[C@H](c2cc(=O)[nH]c(C3CC3)n2)C1)N1CCOCC1 ZINC000223847798 395856795 /nfs/dbraw/zinc/85/67/95/395856795.db2.gz NOFPWOBQFUMBLW-TXEJJXNPSA-N 0 0 318.377 0.935 50 0 DCAARN Cc1nc(C)c(CC(=O)NCCCc2cnn(C)c2)c(=O)[nH]1 ZINC000223896800 395857187 /nfs/dbraw/zinc/85/71/87/395857187.db2.gz GQSBTYVPKSPSGH-UHFFFAOYSA-N 0 0 303.366 0.412 50 0 DCAARN CCOC(=O)C1=C(CN2CCO[C@@H]3CCCC[C@@H]32)NC(=O)NC1 ZINC000051995801 395857734 /nfs/dbraw/zinc/85/77/34/395857734.db2.gz RQCOXIPSWQQPAV-UONOGXRCSA-N 0 0 323.393 0.760 50 0 DCAARN CN(C)c1ncccc1CNC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000047594668 395796024 /nfs/dbraw/zinc/79/60/24/395796024.db2.gz YDVPLEMHYLUCFF-LLVKDONJSA-N 0 0 312.395 0.134 50 0 DCAARN CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2nccs2)CC1 ZINC000054485485 395901124 /nfs/dbraw/zinc/90/11/24/395901124.db2.gz YLOKOTKSJTUOEN-GFCCVEGCSA-N 0 0 308.407 0.803 50 0 DCAARN CCOC(=O)CN(C)c1ncc(CN(C)Cc2cc[nH]n2)cn1 ZINC000055154957 395911906 /nfs/dbraw/zinc/91/19/06/395911906.db2.gz RLRZVSXRSOCHRZ-UHFFFAOYSA-N 0 0 318.381 0.831 50 0 DCAARN CCC1=NO[C@H](CN2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000244898864 395926211 /nfs/dbraw/zinc/92/62/11/395926211.db2.gz ZCZKTLBIRNPLGZ-ZDUSSCGKSA-N 0 0 317.393 0.857 50 0 DCAARN Cn1c2ccccc2cc(C[NH+]2CCN(c3nc[nH]n3)CC2)c1=O ZINC000244882642 395926233 /nfs/dbraw/zinc/92/62/33/395926233.db2.gz XVQCNTBRQSWECE-UHFFFAOYSA-N 0 0 324.388 0.979 50 0 DCAARN Cc1nonc1CC(=O)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 ZINC000244866421 395926350 /nfs/dbraw/zinc/92/63/50/395926350.db2.gz VVXHGPXXMFKBPJ-VNHYZAJKSA-N 0 0 316.361 0.814 50 0 DCAARN CC(=O)N[C@H](C)C(=O)N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000225495166 395861610 /nfs/dbraw/zinc/86/16/10/395861610.db2.gz MCBQWYIKWLTNQD-HOSYDEDBSA-N 0 0 313.398 0.883 50 0 DCAARN Cc1cc(N2CCC(NC(=O)CN3CCOC3=O)CC2)n[nH]1 ZINC000225751273 395862910 /nfs/dbraw/zinc/86/29/10/395862910.db2.gz NUYFQPUVRZDTKA-UHFFFAOYSA-N 0 0 307.354 0.255 50 0 DCAARN FC(F)(F)CN1CC[C@@H](CNc2ccc3nnnn3n2)C1 ZINC000052412866 395863252 /nfs/dbraw/zinc/86/32/52/395863252.db2.gz NWZKQSDPKLEAEW-QMMMGPOBSA-N 0 0 301.276 0.815 50 0 DCAARN Cc1nnsc1C(=O)NCc1nc(-c2ccc[nH]c2=O)no1 ZINC000225803896 395863719 /nfs/dbraw/zinc/86/37/19/395863719.db2.gz OABAHOPQLRVCPO-UHFFFAOYSA-N 0 0 318.318 0.515 50 0 DCAARN COc1nccnc1O[C@H]1CCN(C(=O)Cn2cccc2)C1 ZINC000225808676 395863737 /nfs/dbraw/zinc/86/37/37/395863737.db2.gz XYZCGFFVNSUVCY-LBPRGKRZSA-N 0 0 302.334 0.967 50 0 DCAARN NC(=O)CNC(=O)COc1nn(-c2ccccc2)cc1Cl ZINC000227158822 395868018 /nfs/dbraw/zinc/86/80/18/395868018.db2.gz SLOKOCHCBROCSS-UHFFFAOYSA-N 0 0 308.725 0.506 50 0 DCAARN CCN(CC(=O)NC(C)(C)C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000052798679 395870403 /nfs/dbraw/zinc/87/04/03/395870403.db2.gz XSZRHAWJWMYERI-UHFFFAOYSA-N 0 0 320.397 0.806 50 0 DCAARN Cc1cc(C(=O)N2CCN(Cc3nnnn3C3CC3)CC2)on1 ZINC000052965869 395874155 /nfs/dbraw/zinc/87/41/55/395874155.db2.gz FSUJTIWGAXREGB-UHFFFAOYSA-N 0 0 317.353 0.262 50 0 DCAARN O=C(CCNC(=O)c1ccc(F)cc1)N[C@H]1CCCCNC1=O ZINC000053010905 395875135 /nfs/dbraw/zinc/87/51/35/395875135.db2.gz UOZMOTYCHCPKOL-ZDUSSCGKSA-N 0 0 321.352 0.731 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCO[C@@H](Cn3cncn3)C2)on1 ZINC000229552662 395875875 /nfs/dbraw/zinc/87/58/75/395875875.db2.gz GOOIXLIKKCBGSR-NWDGAFQWSA-N 0 0 320.353 0.303 50 0 DCAARN Cn1c(=O)c2cc(C(=O)N3CCC=C(F)C3)cnc2n(C)c1=O ZINC000272176606 395875883 /nfs/dbraw/zinc/87/58/83/395875883.db2.gz ZMNZJXVPOLIPPN-UHFFFAOYSA-N 0 0 318.308 0.332 50 0 DCAARN CC(C)c1n[nH]c([C@H]2CN(C[C@@H](O)Cn3cccn3)CCO2)n1 ZINC000229826356 395876606 /nfs/dbraw/zinc/87/66/06/395876606.db2.gz KVILTWLDAVGRQI-CHWSQXEVSA-N 0 0 320.397 0.559 50 0 DCAARN O=C(NC[C@H]1CCCO1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000229786736 395876651 /nfs/dbraw/zinc/87/66/51/395876651.db2.gz DWBSVUKFUDTVDV-QWHCGFSZSA-N 0 0 305.382 0.924 50 0 DCAARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3C(=O)N2C)cc1 ZINC000138434947 395951973 /nfs/dbraw/zinc/95/19/73/395951973.db2.gz HDQPYEDQLSQDIF-RQJABVFESA-N 0 0 312.325 0.827 50 0 DCAARN CN1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000058341855 395953356 /nfs/dbraw/zinc/95/33/56/395953356.db2.gz YVDKIVSJRIBDFL-UKRRQHHQSA-N 0 0 317.389 0.486 50 0 DCAARN O=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1ccccc1 ZINC000061717890 395970586 /nfs/dbraw/zinc/97/05/86/395970586.db2.gz MEHHPXADVXFQQA-UHFFFAOYSA-N 0 0 314.345 0.719 50 0 DCAARN C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(CCS(C)(=O)=O)C2=O ZINC000247539884 395975825 /nfs/dbraw/zinc/97/58/25/395975825.db2.gz RWOHTFNQMKMYRO-IWIIMEHWSA-N 0 0 302.396 0.778 50 0 DCAARN CCOc1ccc(CN2CC[C@@H](NC(=O)CNC(C)=O)C2)cn1 ZINC000065267430 395992154 /nfs/dbraw/zinc/99/21/54/395992154.db2.gz LMXWIWIJVCAADV-CQSZACIVSA-N 0 0 320.393 0.307 50 0 DCAARN COCc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c(N)n1 ZINC000065310963 395992472 /nfs/dbraw/zinc/99/24/72/395992472.db2.gz OPHZGNVZQAUHED-UHFFFAOYSA-N 0 0 306.297 0.750 50 0 DCAARN CCOc1ccc(CN2CC[C@H](NC(=O)CNC(C)=O)C2)cn1 ZINC000065267429 395992498 /nfs/dbraw/zinc/99/24/98/395992498.db2.gz LMXWIWIJVCAADV-AWEZNQCLSA-N 0 0 320.393 0.307 50 0 DCAARN CCN1CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000065439793 395993139 /nfs/dbraw/zinc/99/31/39/395993139.db2.gz ZTKZLHFQNLZZLM-CQSZACIVSA-N 0 0 318.425 0.793 50 0 DCAARN COC(=O)c1cc2n(n1)CCCN(C(=O)c1ccc(N)nc1)C2 ZINC000065397036 395993191 /nfs/dbraw/zinc/99/31/91/395993191.db2.gz RZMGKPLPZGKQPU-UHFFFAOYSA-N 0 0 315.333 0.693 50 0 DCAARN COc1ccnc(N2CCN(C(=O)C[C@@H]3CCCO3)CC2)n1 ZINC000065494413 395994458 /nfs/dbraw/zinc/99/44/58/395994458.db2.gz IAPXRHOUQNZXDG-LBPRGKRZSA-N 0 0 306.366 0.703 50 0 DCAARN Cc1nc2c(s1)CCC[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC000252509056 396022720 /nfs/dbraw/zinc/02/27/20/396022720.db2.gz YBTDLIWJDGUMIG-VIFPVBQESA-N 0 0 317.436 0.884 50 0 DCAARN COc1cc(CN2C[C@@H](CO)[C@H](NC(C)=O)C2)cc(OC)c1 ZINC000253394329 396026478 /nfs/dbraw/zinc/02/64/78/396026478.db2.gz ABUPSUGJASVZPK-XJKSGUPXSA-N 0 0 308.378 0.633 50 0 DCAARN Cc1noc([C@@H]2CN(C(=O)COc3ccccc3)C[C@H]2CO)n1 ZINC000253406529 396026861 /nfs/dbraw/zinc/02/68/61/396026861.db2.gz JAQQXBQGRATGMR-GXTWGEPZSA-N 0 0 317.345 0.991 50 0 DCAARN Nc1n[nH]c(CC(=O)N2CCCC[C@H]2CCn2cccn2)n1 ZINC000067489576 396027131 /nfs/dbraw/zinc/02/71/31/396027131.db2.gz CMGIHAANHSDSLB-NSHDSACASA-N 0 0 303.370 0.597 50 0 DCAARN CCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH2+]C1(C(N)=O)CCCC1)C2 ZINC000067490205 396027339 /nfs/dbraw/zinc/02/73/39/396027339.db2.gz BXRXZXBTXPIOGY-SNVBAGLBSA-N 0 0 320.393 0.846 50 0 DCAARN COc1cccc(CCC(=O)N2C[C@@H](CO)[C@H](NC(C)=O)C2)c1 ZINC000253414810 396027813 /nfs/dbraw/zinc/02/78/13/396027813.db2.gz YRKRXPNRXQJBML-GOEBONIOSA-N 0 0 320.389 0.583 50 0 DCAARN COc1ccc(N(C)C(=O)C2=C(C)N(C)c3nnnn3C2)cn1 ZINC000253417772 396028030 /nfs/dbraw/zinc/02/80/30/396028030.db2.gz IBFLKOYICQCYKI-UHFFFAOYSA-N 0 0 315.337 0.464 50 0 DCAARN COc1ccc(S(=O)(=O)N2CC[C@H](n3nccn3)C2)cc1 ZINC000253472539 396029855 /nfs/dbraw/zinc/02/98/55/396029855.db2.gz NKJVMMFETWFJMV-NSHDSACASA-N 0 0 308.363 0.922 50 0 DCAARN Cc1nc(CCN2CCN(c3cc(=O)nc(N)[nH]3)CC2)cs1 ZINC000253536776 396030517 /nfs/dbraw/zinc/03/05/17/396030517.db2.gz OGOWKFHTHLGDQR-UHFFFAOYSA-N 0 0 320.422 0.894 50 0 DCAARN C/C=C\C[S@](=O)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000254290220 396031183 /nfs/dbraw/zinc/03/11/83/396031183.db2.gz JWOQHTMMVRLFEA-YVUQSSOWSA-N 0 0 300.424 0.828 50 0 DCAARN CCOC(=O)C=c1[nH]c(=O)c(=Cc2ccc3c(c2)OCO3)s1 ZINC000254385190 396031414 /nfs/dbraw/zinc/03/14/14/396031414.db2.gz HRYFNOUBEFTECD-UHFFFAOYSA-N 0 0 319.338 0.338 50 0 DCAARN CNC(=O)C[C@H]1C(=O)NCCN1Cc1cc(C(C)(C)C)n[nH]1 ZINC000067713546 396031789 /nfs/dbraw/zinc/03/17/89/396031789.db2.gz XPFDYHOZHQYBIL-NSHDSACASA-N 0 0 307.398 0.144 50 0 DCAARN COC(=O)[C@H]1CCCN1CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000254739748 396032411 /nfs/dbraw/zinc/03/24/11/396032411.db2.gz YQSJQFQVQXCKTH-WCQYABFASA-N 0 0 320.393 0.852 50 0 DCAARN CN1CCN(Cc2noc(CCN3CCCCCC3=O)n2)CC1 ZINC000067803974 396034113 /nfs/dbraw/zinc/03/41/13/396034113.db2.gz LCPCJNFIMARXLH-UHFFFAOYSA-N 0 0 321.425 0.762 50 0 DCAARN Cc1ccc2nc(CNC(=O)Cc3[nH]c(O)nc3O)[nH]c2c1C ZINC000067847593 396036412 /nfs/dbraw/zinc/03/64/12/396036412.db2.gz YASFQOIFBQZQTD-JTQLQIEISA-N 0 0 315.333 0.394 50 0 DCAARN C[C@@H](O)CN1CCN(CC(=O)N2CCc3sccc3C2)CC1 ZINC000069698128 396087153 /nfs/dbraw/zinc/08/71/53/396087153.db2.gz SKCZIFKODFLTMN-CYBMUJFWSA-N 0 0 323.462 0.631 50 0 DCAARN Cc1ccccc1C[C@H](C)NC(=O)CN1CCN(CCO)CC1 ZINC000069772127 396090312 /nfs/dbraw/zinc/09/03/12/396090312.db2.gz OYUSOVICLSFAJL-INIZCTEOSA-N 0 0 319.449 0.652 50 0 DCAARN CN(C)c1nccnc1O[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000169756442 396090847 /nfs/dbraw/zinc/09/08/47/396090847.db2.gz KRTNJQXODZFHQZ-ZDUSSCGKSA-N 0 0 320.393 0.949 50 0 DCAARN NC(=O)CN1CCCN(C(=O)CNc2ccccc2Cl)CC1 ZINC000069815809 396091315 /nfs/dbraw/zinc/09/13/15/396091315.db2.gz ZFMAHJWMDSCXQP-UHFFFAOYSA-N 0 0 324.812 0.772 50 0 DCAARN Cn1nccc1C(=O)N1CC(c2noc([C@H]3CCCN3C)n2)C1 ZINC000169789130 396093490 /nfs/dbraw/zinc/09/34/90/396093490.db2.gz ICICIYCLVOLYLF-LLVKDONJSA-N 0 0 316.365 0.809 50 0 DCAARN NS(=O)(=O)c1ccccc1N1CCN(C(=O)NC2CC2)CC1 ZINC000170604041 396094997 /nfs/dbraw/zinc/09/49/97/396094997.db2.gz XZJJDHCYXNDVGE-UHFFFAOYSA-N 0 0 324.406 0.328 50 0 DCAARN O=C(CC1OCCCO1)NCCN1C(=O)c2ccccc2C1=O ZINC000170607952 396095223 /nfs/dbraw/zinc/09/52/23/396095223.db2.gz ONLDXEHNUUKVJH-UHFFFAOYSA-N 0 0 318.329 0.552 50 0 DCAARN C[C@H](c1cn(-c2ccccc2)nn1)S(=O)(=O)c1ncnn1C ZINC000170610963 396096052 /nfs/dbraw/zinc/09/60/52/396096052.db2.gz SOQBFSSOWFABIL-SNVBAGLBSA-N 0 0 318.362 0.931 50 0 DCAARN COCCN1CCN(CC(=O)Nc2cc(C)nn2C)C[C@H]1C ZINC000069969441 396096503 /nfs/dbraw/zinc/09/65/03/396096503.db2.gz LLBRBZOQSIIXSM-CYBMUJFWSA-N 0 0 309.414 0.320 50 0 DCAARN CCc1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)o1 ZINC000070005444 396097528 /nfs/dbraw/zinc/09/75/28/396097528.db2.gz MBFYRAQVHIHTKE-UHFFFAOYSA-N 0 0 314.407 0.644 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)c2csc(COC)n2)CC1 ZINC000070014887 396098230 /nfs/dbraw/zinc/09/82/30/396098230.db2.gz CLBABFNBHLVLTI-NSHDSACASA-N 0 0 313.423 0.818 50 0 DCAARN C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000070021970 396098389 /nfs/dbraw/zinc/09/83/89/396098389.db2.gz BSAAGXQZIDGXAZ-ZNMIVQPWSA-N 0 0 314.426 0.486 50 0 DCAARN Cn1nc(C(=O)N[C@@]2(CCO)CCOC2)cc1OC(F)F ZINC000278185046 396111441 /nfs/dbraw/zinc/11/14/41/396111441.db2.gz TWBDQODCNGXPMV-LBPRGKRZSA-N 0 0 305.281 0.293 50 0 DCAARN CN(CC(=O)N1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1)Cc1ccncc1 ZINC000071419115 396113190 /nfs/dbraw/zinc/11/31/90/396113190.db2.gz JLFMGTIMPOHRIJ-FZKCQIBNSA-N 0 0 319.405 0.104 50 0 DCAARN Cc1ncc(CC(=O)N2CCO[C@@H](C(F)(F)F)C2)c(=O)[nH]1 ZINC000071419384 396113289 /nfs/dbraw/zinc/11/32/89/396113289.db2.gz FUBSWKKCDFWVEY-SECBINFHSA-N 0 0 305.256 0.411 50 0 DCAARN O=C(c1cc(C2CC2)n[nH]1)N1CCC2(CC1)NC(=O)NC2=O ZINC000071798156 396115411 /nfs/dbraw/zinc/11/54/11/396115411.db2.gz KRHDRUAZWVBFOD-UHFFFAOYSA-N 0 0 303.322 0.101 50 0 DCAARN COc1ccnc(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)n1 ZINC000071819924 396115919 /nfs/dbraw/zinc/11/59/19/396115919.db2.gz AONFVTZOTRFOME-UHFFFAOYSA-N 0 0 315.333 0.136 50 0 DCAARN CCCCN(CC(N)=O)C(=O)c1ccnc(-n2ccnc2)c1 ZINC000071820881 396116253 /nfs/dbraw/zinc/11/62/53/396116253.db2.gz LXVDLXDTEVNTDM-UHFFFAOYSA-N 0 0 301.350 0.995 50 0 DCAARN CS(=O)(=O)CCN1C(=O)N[C@@H](CCc2ccccc2)C1=O ZINC000071824997 396117037 /nfs/dbraw/zinc/11/70/37/396117037.db2.gz JPOQFHXYCJUQJF-LBPRGKRZSA-N 0 0 310.375 0.584 50 0 DCAARN CCc1nnc(CN2CCN(c3nccc(OC)n3)CC2)o1 ZINC000071824794 396117307 /nfs/dbraw/zinc/11/73/07/396117307.db2.gz NBHRYVXBZJNWOG-UHFFFAOYSA-N 0 0 304.354 0.753 50 0 DCAARN Cc1noc(CNC(=O)CCNS(=O)(=O)c2ccccc2)n1 ZINC000071847376 396118870 /nfs/dbraw/zinc/11/88/70/396118870.db2.gz JNBCOCPEQMSEIW-UHFFFAOYSA-N 0 0 324.362 0.363 50 0 DCAARN Cc1cc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)[nH]n1 ZINC000071841510 396118905 /nfs/dbraw/zinc/11/89/05/396118905.db2.gz CTHBDJBJYFXSGT-LLVKDONJSA-N 0 0 304.325 0.931 50 0 DCAARN Cc1nnc2ccc(N3CCN([C@H]4C[C@@H](C)OC4=O)CC3)nn12 ZINC000071863796 396119692 /nfs/dbraw/zinc/11/96/92/396119692.db2.gz OLEQIGRMHQVMRX-PWSUYJOCSA-N 0 0 316.365 0.259 50 0 DCAARN COc1cccc(C(=O)N2CCN(C[C@@H](C)O)CC2)c1OC ZINC000071870977 396120140 /nfs/dbraw/zinc/12/01/40/396120140.db2.gz SSNBTBHVKMCZKV-GFCCVEGCSA-N 0 0 308.378 0.842 50 0 DCAARN CCc1nnc2n1CCN(CC(=O)N(C)Cc1cnn(C)c1)C2 ZINC000071871955 396120793 /nfs/dbraw/zinc/12/07/93/396120793.db2.gz XSLTXBHLNGTECJ-UHFFFAOYSA-N 0 0 317.397 0.048 50 0 DCAARN Cc1cc(NC(=O)CN2CCCC[C@H]2Cn2cncn2)n(C)n1 ZINC000071876272 396121103 /nfs/dbraw/zinc/12/11/03/396121103.db2.gz YFPPHIJARJHHOI-ZDUSSCGKSA-N 0 0 317.397 0.813 50 0 DCAARN CC(C)=CC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000071893415 396123533 /nfs/dbraw/zinc/12/35/33/396123533.db2.gz OBYFHBSEYKCHDS-AWEZNQCLSA-N 0 0 309.410 0.344 50 0 DCAARN CCCCS[C@H](C)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000071896129 396123653 /nfs/dbraw/zinc/12/36/53/396123653.db2.gz DHJIEMLOZLEBOR-SNVBAGLBSA-N 0 0 309.457 0.256 50 0 DCAARN C[C@@H]1CC(=O)NCCN1c1ccc2nnc(C(F)(F)F)n2n1 ZINC000071889458 396123869 /nfs/dbraw/zinc/12/38/69/396123869.db2.gz KBOGFHGADXMIQD-SSDOTTSWSA-N 0 0 314.271 0.858 50 0 DCAARN COC(=O)[C@@H]1C[C@H](C(=O)OC)N(C(=O)c2ccccc2)CC1=O ZINC000072194203 396127193 /nfs/dbraw/zinc/12/71/93/396127193.db2.gz KQXKRUDATDKFEL-VXGBXAGGSA-N 0 0 319.313 0.432 50 0 DCAARN NC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](n3cncn3)C2)C1 ZINC000072234746 396127216 /nfs/dbraw/zinc/12/72/16/396127216.db2.gz FWMJLUYYWBHAQY-RYUDHWBXSA-N 0 0 306.370 0.232 50 0 DCAARN CC(=O)N[C@@](C)(C(=O)N[C@H]1CCc2nc(C)cn2C1)C1CC1 ZINC000072254877 396128285 /nfs/dbraw/zinc/12/82/85/396128285.db2.gz ZNEWOCDCWBLWAK-XJKSGUPXSA-N 0 0 304.394 0.927 50 0 DCAARN O=C(CCN1CCO[C@H](Cn2cncn2)C1)NC1CCCCC1 ZINC000072268126 396128311 /nfs/dbraw/zinc/12/83/11/396128311.db2.gz TWWNIUMMRYBHOB-HNNXBMFYSA-N 0 0 321.425 0.818 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)c2c(C)noc2C)CC1 ZINC000072269659 396129022 /nfs/dbraw/zinc/12/90/22/396129022.db2.gz OMINJDOPLSSEPQ-CYBMUJFWSA-N 0 0 311.382 0.447 50 0 DCAARN Cc1cc([C@H](C)C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c(C)o1 ZINC000072290658 396130094 /nfs/dbraw/zinc/13/00/94/396130094.db2.gz XURNYGBPGDFNLU-VFZGTOFNSA-N 0 0 305.334 0.810 50 0 DCAARN CC(C)OCCN1CCN(C(=O)CNC(=O)NC2CC2)CC1 ZINC000072307176 396130946 /nfs/dbraw/zinc/13/09/46/396130946.db2.gz KBGUYLOMWLYKGN-UHFFFAOYSA-N 0 0 312.414 0.017 50 0 DCAARN CCOC(=O)COC(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC000073185570 396143424 /nfs/dbraw/zinc/14/34/24/396143424.db2.gz JCXWTZCLUJPKFX-UHFFFAOYSA-N 0 0 307.224 0.973 50 0 DCAARN COc1ccc2c(c1)OC[C@@H](C(=O)N1CCS(=O)CC1)C2 ZINC000069368165 396076036 /nfs/dbraw/zinc/07/60/36/396076036.db2.gz PRLCFVRGUQQWJR-LBPRGKRZSA-N 0 0 309.387 0.837 50 0 DCAARN CON(C)C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000069413818 396077363 /nfs/dbraw/zinc/07/73/63/396077363.db2.gz YDYQXXKPILEVBB-UHFFFAOYSA-N 0 0 312.391 0.550 50 0 DCAARN Cc1cc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)on1 ZINC000069419335 396077925 /nfs/dbraw/zinc/07/79/25/396077925.db2.gz KZKMNDMZBZMSLZ-UHFFFAOYSA-N 0 0 321.314 0.766 50 0 DCAARN Cc1nc(C)n(C[C@H]2CCCN2CC(=O)NC2CCOCC2)n1 ZINC000069521578 396081950 /nfs/dbraw/zinc/08/19/50/396081950.db2.gz CZRKFOKSUHELBC-OAHLLOKOSA-N 0 0 321.425 0.655 50 0 DCAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)OCCNc1ncccn1)CS2 ZINC000069590846 396083529 /nfs/dbraw/zinc/08/35/29/396083529.db2.gz YOJJOUMKRQSUOK-QMTHXVAHSA-N 0 0 322.390 0.886 50 0 DCAARN CC(C)(CNC(=O)CC[C@@H]1CCCO1)N1CCS(=O)CC1 ZINC000074135597 396158676 /nfs/dbraw/zinc/15/86/76/396158676.db2.gz UBGSFXSPFMEBQM-ZDUSSCGKSA-N 0 0 316.467 0.905 50 0 DCAARN CN(C)[C@H](CNC(=O)NCCCn1cccn1)c1cnn(C)c1 ZINC000076017063 396192188 /nfs/dbraw/zinc/19/21/88/396192188.db2.gz MJIMRXCEIKNUNL-CQSZACIVSA-N 0 0 319.413 0.609 50 0 DCAARN Cc1nnc([C@H]2CN(C(=O)[C@@H](C)OCC(F)(F)F)CCO2)[nH]1 ZINC000076045552 396193108 /nfs/dbraw/zinc/19/31/08/396193108.db2.gz XRVBHWAAJNRIQK-VXNVDRBHSA-N 0 0 322.287 0.980 50 0 DCAARN Cc1nnc([C@@H]2CN(C[C@H](O)COCc3ccco3)CCO2)[nH]1 ZINC000076050357 396194281 /nfs/dbraw/zinc/19/42/81/396194281.db2.gz LAUULORXDFXSFE-JSGCOSHPSA-N 0 0 322.365 0.657 50 0 DCAARN CCn1nc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1=O ZINC000076053301 396194973 /nfs/dbraw/zinc/19/49/73/396194973.db2.gz PSLBLSKJYFUXOK-OCCSQVGLSA-N 0 0 320.393 0.056 50 0 DCAARN CC(C)n1nc2c(cc1=O)CN(Cc1nnnn1C1CC1)CC2 ZINC000076064928 396195817 /nfs/dbraw/zinc/19/58/17/396195817.db2.gz GWXMNMAXARFBPE-UHFFFAOYSA-N 0 0 315.381 0.704 50 0 DCAARN C[C@H]1CN=C(N2CCN(c3ncnc4n[nH]cc43)CC2)S1 ZINC000076064098 396195880 /nfs/dbraw/zinc/19/58/80/396195880.db2.gz VMQARDXMZQDKLC-VIFPVBQESA-N 0 0 303.395 0.966 50 0 DCAARN COc1ccccc1CN1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC000076227305 396199027 /nfs/dbraw/zinc/19/90/27/396199027.db2.gz GQDOLKWENVNHGE-MRXNPFEDSA-N 0 0 320.389 0.755 50 0 DCAARN CC(=O)NCC(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000078564795 396248242 /nfs/dbraw/zinc/24/82/42/396248242.db2.gz OJMNFMLGPBIAGP-OAHLLOKOSA-N 0 0 305.378 0.312 50 0 DCAARN CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)n1 ZINC000078890059 396256091 /nfs/dbraw/zinc/25/60/91/396256091.db2.gz NZJUZBWGVDNBQR-ZJUUUORDSA-N 0 0 321.381 0.281 50 0 DCAARN CCc1nc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)n2)no1 ZINC000078881193 396256244 /nfs/dbraw/zinc/25/62/44/396256244.db2.gz ZKKHYFHOIVUWSK-SNVBAGLBSA-N 0 0 303.322 0.703 50 0 DCAARN CC(C)c1nnc([C@@H]2CN(C(=O)CCn3cncn3)CCO2)[nH]1 ZINC000078889446 396256248 /nfs/dbraw/zinc/25/62/48/396256248.db2.gz PXRBKFRGLKYBBR-NSHDSACASA-N 0 0 319.369 0.510 50 0 DCAARN CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)nn1 ZINC000079040354 396259877 /nfs/dbraw/zinc/25/98/77/396259877.db2.gz KTYJQAGKACDUJK-MRVPVSSYSA-N 0 0 318.786 0.883 50 0 DCAARN Cn1ccc2c1cccc2C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000079494059 396265676 /nfs/dbraw/zinc/26/56/76/396265676.db2.gz BGFZEVRIXPCAPU-UHFFFAOYSA-N 0 0 321.402 0.896 50 0 DCAARN CN(CC(N)=O)C[C@@H]1CN(c2ccc3ccccc3n2)CCO1 ZINC000282136786 396266007 /nfs/dbraw/zinc/26/60/07/396266007.db2.gz ALNOQRSIYKNWAM-CQSZACIVSA-N 0 0 314.389 0.857 50 0 DCAARN O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)c1ccc(F)cn1 ZINC000183408409 396269362 /nfs/dbraw/zinc/26/93/62/396269362.db2.gz NVNOCAUOZZLZCS-CLAHSXSESA-N 0 0 306.297 0.329 50 0 DCAARN CC[C@@H](OC)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000077355063 396219519 /nfs/dbraw/zinc/21/95/19/396219519.db2.gz WXZZHJQEFDHIRM-CQSZACIVSA-N 0 0 322.409 0.538 50 0 DCAARN NS(=O)(=O)c1ccccc1C[C@H]1CCCS(=O)(=O)C1 ZINC000077472332 396223846 /nfs/dbraw/zinc/22/38/46/396223846.db2.gz BHJJDOIXMAWCGL-SNVBAGLBSA-N 0 0 303.405 0.701 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CCC3(CC(=O)N(C)C3)CC2)c1 ZINC000077539740 396225798 /nfs/dbraw/zinc/22/57/98/396225798.db2.gz YUGBTJRFSMZIJQ-UHFFFAOYSA-N 0 0 312.395 0.053 50 0 DCAARN O[C@H](COC[C@H]1CCCO1)CN1CCn2c(nnc2C2CC2)C1 ZINC000084136770 396318551 /nfs/dbraw/zinc/31/85/51/396318551.db2.gz DNDMKZOMINWGRH-UONOGXRCSA-N 0 0 322.409 0.528 50 0 DCAARN C[C@H](NC(=O)N1CCN(Cc2ccccn2)CC1)C(=O)N(C)C ZINC000184602911 396300821 /nfs/dbraw/zinc/30/08/21/396300821.db2.gz FBAUWJSZVXZLRR-ZDUSSCGKSA-N 0 0 319.409 0.386 50 0 DCAARN CN1C[C@H](NS(=O)(=O)Cc2noc3ccccc23)CCC1=O ZINC000185818685 396335251 /nfs/dbraw/zinc/33/52/51/396335251.db2.gz PWWHHGMWUOUZAQ-SNVBAGLBSA-N 0 0 323.374 0.868 50 0 DCAARN CCN1C(=O)N=NC1S(=O)(=O)CCNC(=O)C1CCCC1 ZINC000269005549 396380841 /nfs/dbraw/zinc/38/08/41/396380841.db2.gz FRKVASXMNHOEFV-UHFFFAOYSA-N 0 0 316.383 0.084 50 0 DCAARN COc1cc(NC(=O)N2CC[C@](O)(c3nc(C)no3)C2)ccn1 ZINC000287657953 396414632 /nfs/dbraw/zinc/41/46/32/396414632.db2.gz KMWBWHRXCKZXND-CQSZACIVSA-N 0 0 319.321 0.907 50 0 DCAARN Cc1nc2n(n1)C[C@@H](NC(=O)NCCOCC(F)F)CC2 ZINC000191590799 396421989 /nfs/dbraw/zinc/42/19/89/396421989.db2.gz FQQZHMJYVDBGOK-VIFPVBQESA-N 0 0 303.313 0.482 50 0 DCAARN COC(=O)[C@@H]1N[C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]12 ZINC000526056121 396531748 /nfs/dbraw/zinc/53/17/48/396531748.db2.gz ZEZMVPHAUKHCOT-MROQNXINSA-N 0 0 318.329 0.112 50 0 DCAARN CS(=O)(=O)N1CCCC[C@H]1CCNC(=O)C1(CO)CC1 ZINC000584897226 396635893 /nfs/dbraw/zinc/63/58/93/396635893.db2.gz YWEYIOBLNPIGFT-NSHDSACASA-N 0 0 304.412 0.079 50 0 DCAARN CCc1noc(CCNC(=O)Cn2nc3ccccc3n2)n1 ZINC000584900554 396636303 /nfs/dbraw/zinc/63/63/03/396636303.db2.gz VFVOOTBWJYGOLT-UHFFFAOYSA-N 0 0 300.322 0.736 50 0 DCAARN CC(C)c1cc(N2CC(NS(N)(=O)=O)C2)nc(C(C)C)n1 ZINC000585132666 396640898 /nfs/dbraw/zinc/64/08/98/396640898.db2.gz KJKCCGZZOVKSOV-UHFFFAOYSA-N 0 0 313.427 0.705 50 0 DCAARN CC(C)C[C@H]1COCCN1C(=O)NCC(=O)N=S(C)(C)=O ZINC000585137135 396641394 /nfs/dbraw/zinc/64/13/94/396641394.db2.gz JTHOJXCEAUJNKE-NSHDSACASA-N 0 0 319.427 0.697 50 0 DCAARN CS(=O)(=O)C=CCNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000585150682 396642344 /nfs/dbraw/zinc/64/23/44/396642344.db2.gz DRBSDSBEYOEUQD-XBXARRHUSA-N 0 0 307.331 0.624 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3N2)C1 ZINC000316650005 396795773 /nfs/dbraw/zinc/79/57/73/396795773.db2.gz DGPLSVDPYXBBTK-TZMCWYRMSA-N 0 0 323.418 0.563 50 0 DCAARN Cc1cnc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)cn1 ZINC000390831818 397303027 /nfs/dbraw/zinc/30/30/27/397303027.db2.gz VFPLCNVMWGEWFF-LLVKDONJSA-N 0 0 324.348 0.231 50 0 DCAARN Cn1cc(-c2cncc(CNC(=O)c3ccc(=O)n(C)n3)c2)cn1 ZINC000390829876 397303453 /nfs/dbraw/zinc/30/34/53/397303453.db2.gz HFSNLNIJOPJGAX-UHFFFAOYSA-N 0 0 324.344 0.506 50 0 DCAARN O=C(c1ccc(=O)[nH]n1)N1CC[C@H](Oc2ncc(F)cn2)C1 ZINC000390828700 397303505 /nfs/dbraw/zinc/30/35/05/397303505.db2.gz TTXOILVVQCAXRX-VIFPVBQESA-N 0 0 305.269 0.405 50 0 DCAARN CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C[C@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000000490416 285891841 /nfs/dbraw/zinc/89/18/41/285891841.db2.gz XEPQPPSBVXFJOA-ZRTFPUAOSA-N 0 0 307.346 0.511 50 0 biogenic DCAARN COC1CCC(C(=O)N2CCN3CCN(C)C(=O)[C@H]3C2)CC1 ZINC000065508161 292152067 /nfs/dbraw/zinc/15/20/67/292152067.db2.gz HWFAVQJVMKTMPC-JXQTWKCFSA-N 0 0 309.410 0.176 50 0 DCAARN CO[C@@H]1CC[C@H]2OCCN(C(=O)CS(=O)(=O)C(C)C)[C@@H]2C1 ZINC000407993261 160005584 /nfs/dbraw/zinc/00/55/84/160005584.db2.gz MLPPHCCPSGOGHE-JHJVBQTASA-N 0 0 319.423 0.605 50 0 DCAARN C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)CCCN1CCOCC1 ZINC000408243123 160067894 /nfs/dbraw/zinc/06/78/94/160067894.db2.gz CLGKSMKJDPLGPZ-KBPBESRZSA-N 0 0 320.455 0.274 50 0 DCAARN C[C@@H]1C(c2ccccc2)N=Nc2nc3c(c(=O)n(C)c(=O)n3C)n21 ZINC000009359470 287191345 /nfs/dbraw/zinc/19/13/45/287191345.db2.gz QMVJGTYTBDLXJP-SECBINFHSA-N 0 0 324.344 0.478 50 0 DCAARN O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000011713687 415151176 /nfs/dbraw/zinc/15/11/76/415151176.db2.gz ZTNBFFIHAGSEDG-AWEZNQCLSA-N 0 0 316.336 0.940 50 0 DCAARN COCCN(CCOC)C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000025133227 415159450 /nfs/dbraw/zinc/15/94/50/415159450.db2.gz BKMSIMDPSCTKOM-UHFFFAOYSA-N 0 0 308.334 0.753 50 0 DCAARN Cn1ncc2c1nc[nH]c2=NNS(=O)(=O)c1ccccc1 ZINC000000116949 415125062 /nfs/dbraw/zinc/12/50/62/415125062.db2.gz JGXTXUBEKNGJMX-UHFFFAOYSA-N 0 0 304.335 0.669 50 0 DCAARN CC[C@H](C)NC(=O)CSc1nnc(-n2nc(C)cc2C)n1N ZINC000007530482 415138993 /nfs/dbraw/zinc/13/89/93/415138993.db2.gz KFJPVNHUBBQXIY-QMMMGPOBSA-N 0 0 323.426 0.801 50 0 DCAARN CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(N)=O ZINC000007782862 415139711 /nfs/dbraw/zinc/13/97/11/415139711.db2.gz PURQRGNSMQXOMS-NSHDSACASA-N 0 0 302.421 0.880 50 0 DCAARN COC(=O)[C@H](CC(C)C)NC(=O)COc1ccc(C(N)=O)cc1 ZINC000007467635 415141662 /nfs/dbraw/zinc/14/16/62/415141662.db2.gz OWTHECSWKVGTQR-ZDUSSCGKSA-N 0 0 322.361 0.868 50 0 DCAARN CN(C)S(=O)(=O)NCc1nnnn1-c1ccc(Cl)cc1 ZINC000009571210 415143282 /nfs/dbraw/zinc/14/32/82/415143282.db2.gz FIXGWGBOZFMGRV-UHFFFAOYSA-N 0 0 316.774 0.212 50 0 DCAARN CC(=O)NCCNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C ZINC000008184481 415145284 /nfs/dbraw/zinc/14/52/84/415145284.db2.gz QEBGDLKAEOFQCU-CQSZACIVSA-N 0 0 323.368 0.832 50 0 DCAARN CCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2C)n(C)c1=O ZINC000012231371 415148673 /nfs/dbraw/zinc/14/86/73/415148673.db2.gz RWLFDGSJCUMTOW-UHFFFAOYSA-N 0 0 302.338 0.256 50 0 DCAARN CNC(=O)NC(=O)COc1ccc(/C=C/C(=O)OC)cc1OC ZINC000012734570 415148827 /nfs/dbraw/zinc/14/88/27/415148827.db2.gz GWOMCNQVEMHONF-FNORWQNLSA-N 0 0 322.317 0.716 50 0 DCAARN CC1(C)O[C@@H]2O[C@@H]([C@@H](O)COC(=O)c3ccccc3)[C@H](O)[C@@H]2O1 ZINC000025663739 415166454 /nfs/dbraw/zinc/16/64/54/415166454.db2.gz YZTNJMSUDMOQJM-CXOVXGEYSA-N 0 0 324.329 0.442 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)o1 ZINC000027907438 415171387 /nfs/dbraw/zinc/17/13/87/415171387.db2.gz IPUYFUNCGLMOER-DTWKUNHWSA-N 0 0 302.352 0.485 50 0 DCAARN O=C(NCCN1CCOCC1)c1cc(=O)[nH]c2ccccc21 ZINC000033028063 415184427 /nfs/dbraw/zinc/18/44/27/415184427.db2.gz IAHSGEMLVJNRRT-UHFFFAOYSA-N 0 0 301.346 0.590 50 0 DCAARN CN1CC[C@@H](C(=O)N2CCN(Cc3ccco3)CC2)CC1=O ZINC000044337898 415218898 /nfs/dbraw/zinc/21/88/98/415218898.db2.gz CAZZUHRHDLDGAH-CYBMUJFWSA-N 0 0 305.378 0.792 50 0 DCAARN O=C(Cn1nc2ccccn2c1=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000044940991 415233497 /nfs/dbraw/zinc/23/34/97/415233497.db2.gz SZYRACYRCSZIOI-LBPRGKRZSA-N 0 0 316.361 0.524 50 0 DCAARN C[C@@H](C(=O)NCCc1cnn(-c2ccccc2)c1)S(C)(=O)=O ZINC000044951499 415237544 /nfs/dbraw/zinc/23/75/44/415237544.db2.gz ONAWKTYRTUZUET-LBPRGKRZSA-N 0 0 321.402 0.964 50 0 DCAARN C[C@@H](C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1)S(C)(=O)=O ZINC000044966886 415238124 /nfs/dbraw/zinc/23/81/24/415238124.db2.gz GZEXMEJLDINMOS-VIFPVBQESA-N 0 0 323.374 0.315 50 0 DCAARN CN1N=C(C(=O)NCCOc2ccc3c(c2)OCO3)CCC1=O ZINC000044953857 415238585 /nfs/dbraw/zinc/23/85/85/415238585.db2.gz AYLXVTUTTHJDDY-UHFFFAOYSA-N 0 0 319.317 0.519 50 0 DCAARN Cc1ccc([C@@H](C)NC(=O)CN2CCS(=O)(=O)CC2)o1 ZINC000044967010 415238966 /nfs/dbraw/zinc/23/89/66/415238966.db2.gz MBEOOOOHUIWQCT-LLVKDONJSA-N 0 0 300.380 0.496 50 0 DCAARN O=C(NCc1nnc2ccccn21)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000046318976 415259122 /nfs/dbraw/zinc/25/91/22/415259122.db2.gz UCBIGDMGNRSDST-GFCCVEGCSA-N 0 0 313.361 0.604 50 0 DCAARN CC[C@](C)(CNC(=O)NCCc1cnn(C)c1)N1CCOCC1 ZINC000046940328 415261499 /nfs/dbraw/zinc/26/14/99/415261499.db2.gz QLEFGICWZIQDLB-MRXNPFEDSA-N 0 0 323.441 0.763 50 0 DCAARN C[C@@H](NC(=O)N1CCN(c2nccs2)CC1)c1nncn1C ZINC000046961832 415264496 /nfs/dbraw/zinc/26/44/96/415264496.db2.gz OIMRKIRDPDNGMQ-SNVBAGLBSA-N 0 0 321.410 0.864 50 0 DCAARN CCCn1nc(C(=O)N(CC(N)=O)C2CCCC2)ccc1=O ZINC000047236417 415266481 /nfs/dbraw/zinc/26/64/81/415266481.db2.gz NAMHUJUDPLVRQR-UHFFFAOYSA-N 0 0 306.366 0.523 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)c1cc2ccccc2oc1=O ZINC000044706237 415226368 /nfs/dbraw/zinc/22/63/68/415226368.db2.gz NJMQOBMVAMAZDO-UHFFFAOYSA-N 0 0 324.358 0.462 50 0 DCAARN NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000044891548 415228469 /nfs/dbraw/zinc/22/84/69/415228469.db2.gz ZYKMDKCQBUANJW-MRVPVSSYSA-N 0 0 304.318 0.851 50 0 DCAARN CC[C@H]1CN(C(=O)Cn2nnn(-c3cccs3)c2=O)CCO1 ZINC000044867741 415229358 /nfs/dbraw/zinc/22/93/58/415229358.db2.gz YFDVTCKADVXMLG-JTQLQIEISA-N 0 0 323.378 0.128 50 0 DCAARN Cc1cc(C)n(C[C@H](C)CNC(=O)CC[C@@H]2NC(=O)NC2=O)n1 ZINC000048410046 415293027 /nfs/dbraw/zinc/29/30/27/415293027.db2.gz DNOGFUGOCIWLFK-SKDRFNHKSA-N 0 0 321.381 0.240 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2C[C@@](C)(O)C2)C1 ZINC000332424545 415393006 /nfs/dbraw/zinc/39/30/06/415393006.db2.gz DUVUUWCBKWIAFM-WZRBSPASSA-N 0 0 304.412 0.078 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000072242143 415408456 /nfs/dbraw/zinc/40/84/56/415408456.db2.gz APOMQEYJQYGAGI-DOMZBBRYSA-N 0 0 321.352 0.550 50 0 DCAARN C[C@@H](Oc1cccc(F)c1)C(=O)N1CCCN(CC(N)=O)CC1 ZINC000071829325 415409799 /nfs/dbraw/zinc/40/97/99/415409799.db2.gz KOPKWRPTBKFMKX-GFCCVEGCSA-N 0 0 323.368 0.613 50 0 DCAARN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NCCOC)c1 ZINC000067358727 415374841 /nfs/dbraw/zinc/37/48/41/415374841.db2.gz VQBGRWOVQJLPQU-JTQLQIEISA-N 0 0 315.395 0.601 50 0 DCAARN CCc1ccc(CN(C)C(=O)c2cc(=O)n(C)c(=O)n2C)nc1 ZINC000067677476 415380596 /nfs/dbraw/zinc/38/05/96/415380596.db2.gz QWQYVSJZWTYOIK-UHFFFAOYSA-N 0 0 316.361 0.314 50 0 DCAARN CCc1c(C)nn(CC(=O)NCC[C@H]2CN(C)CCO2)c1C ZINC000067740554 415385564 /nfs/dbraw/zinc/38/55/64/415385564.db2.gz HDHARNJBVYMXAQ-AWEZNQCLSA-N 0 0 308.426 0.899 50 0 DCAARN O=C(NC[C@@H](O)CO)c1cc(COc2ccccc2F)n[nH]1 ZINC000067786606 415386513 /nfs/dbraw/zinc/38/65/13/415386513.db2.gz RRXXFPVWNHVZSZ-SNVBAGLBSA-N 0 0 309.297 0.211 50 0 DCAARN COc1ccc(CCN2C(=O)O[C@@H]3C[N@@H+](CC(=O)[O-])C[C@@H]32)cc1 ZINC000067725203 415386625 /nfs/dbraw/zinc/38/66/25/415386625.db2.gz JPGVZQIMFLFNFP-UONOGXRCSA-N 0 0 320.345 0.827 50 0 DCAARN COc1ccc(C)cc1NC(=O)CNC(=O)c1c[nH]c(=O)cn1 ZINC000067867527 415387916 /nfs/dbraw/zinc/38/79/16/415387916.db2.gz MCRJBPPJRIWVRZ-UHFFFAOYSA-N 0 0 316.317 0.455 50 0 DCAARN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)c1c(Cl)cnn1C ZINC000343181253 415491049 /nfs/dbraw/zinc/49/10/49/415491049.db2.gz OTLSCUPRAZDUFZ-IUCAKERBSA-N 0 0 323.802 0.498 50 0 DCAARN Cc1nnc(C2CCN(C(=O)CN3C(=O)CCC3=O)CC2)s1 ZINC000075149292 415436961 /nfs/dbraw/zinc/43/69/61/415436961.db2.gz GCDDOAWJNUWCNF-UHFFFAOYSA-N 0 0 322.390 0.702 50 0 DCAARN O=C1C[C@H](NS(=O)(=O)c2ccc(Br)cc2)CN1 ZINC000075158326 415443303 /nfs/dbraw/zinc/44/33/03/415443303.db2.gz BJOKYEQXUOFTDM-QMMMGPOBSA-N 0 0 319.180 0.616 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)N1CCN(C[C@H](C)O)CC1 ZINC000075602864 415446735 /nfs/dbraw/zinc/44/67/35/415446735.db2.gz OVLNUAUZTWHLNI-LBPRGKRZSA-N 0 0 308.426 0.495 50 0 DCAARN Cn1cnc(CNC(=O)N2CCCN(CC(F)(F)F)CC2)n1 ZINC000092378128 415539554 /nfs/dbraw/zinc/53/95/54/415539554.db2.gz NBXIQBUVKATLEX-UHFFFAOYSA-N 0 0 320.319 0.595 50 0 DCAARN O=C(Cn1ccnc1-c1ccccc1)N[C@H]1C=CS(=O)(=O)C1 ZINC000095354346 415554098 /nfs/dbraw/zinc/55/40/98/415554098.db2.gz ZQYSRQIWPLCTPX-ZDUSSCGKSA-N 0 0 317.370 0.977 50 0 DCAARN Cc1nc(N(C)C)ncc1C(=O)N1CCC(c2nnc[nH]2)CC1 ZINC000095359246 415554638 /nfs/dbraw/zinc/55/46/38/415554638.db2.gz KSPBSYSTGLFFAG-UHFFFAOYSA-N 0 0 315.381 0.989 50 0 DCAARN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2c[nH]c(=O)cn2)on1 ZINC000095379449 415557634 /nfs/dbraw/zinc/55/76/34/415557634.db2.gz FVMZKBJJROVFDD-SKDRFNHKSA-N 0 0 304.306 0.054 50 0 DCAARN CNC(=O)[C@@H]1CCCN(C(=O)Cn2cnc3c2CCCC3)C1 ZINC000095993014 415570065 /nfs/dbraw/zinc/57/00/65/415570065.db2.gz LLJIAUMZQQAVNA-GFCCVEGCSA-N 0 0 304.394 0.747 50 0 DCAARN C[C@H](N[C@@H]1CCNC1=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000097033538 415582778 /nfs/dbraw/zinc/58/27/78/415582778.db2.gz GBPBSNNLWKKEDB-GZMMTYOYSA-N 0 0 300.355 0.768 50 0 DCAARN CC[C@@H]1CN(C(=O)[C@H](C)OCCOC)C[C@@H]1N1CCOCC1 ZINC000107354701 415669111 /nfs/dbraw/zinc/66/91/11/415669111.db2.gz SOZVLGXDJCQNGJ-ZNMIVQPWSA-N 0 0 314.426 0.607 50 0 DCAARN COCC1(CNC(=O)NC[C@H]2CCS(=O)(=O)C2)CCC1 ZINC000336943727 415870163 /nfs/dbraw/zinc/87/01/63/415870163.db2.gz JZHXCMRXKKIQHD-LLVKDONJSA-N 0 0 304.412 0.537 50 0 DCAARN CC[C@]1(C)NC(=O)N(NC(=O)[C@H]2CSCCS2)C1=O ZINC000298207671 415995779 /nfs/dbraw/zinc/99/57/79/415995779.db2.gz JQXZOSFMZNJVHS-HQJQHLMTSA-N 0 0 303.409 0.587 50 0 DCAARN Cc1nc(N)ncc1C(=O)N[C@H]1CCCN(C(=O)C(C)C)C1 ZINC000299756064 416063753 /nfs/dbraw/zinc/06/37/53/416063753.db2.gz CHFAOEUOAOYMOT-NSHDSACASA-N 0 0 305.382 0.744 50 0 DCAARN O=C(CCc1ccc(=O)[nH]n1)N1CCN(C2CCCC2)C(=O)C1 ZINC000299760502 416064902 /nfs/dbraw/zinc/06/49/02/416064902.db2.gz URHPGVZATYMDJL-UHFFFAOYSA-N 0 0 318.377 0.316 50 0 DCAARN Cc1nc(N2CCCCC2)ncc1C(=O)NC[C@@H]1COCCO1 ZINC000299773940 416065472 /nfs/dbraw/zinc/06/54/72/416065472.db2.gz GSBZVGLAEWXLKN-CYBMUJFWSA-N 0 0 320.393 0.921 50 0 DCAARN CCc1nc(C)c(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)s1 ZINC000299767704 416065477 /nfs/dbraw/zinc/06/54/77/416065477.db2.gz JAIHOBQWAHCJAR-SECBINFHSA-N 0 0 317.436 0.765 50 0 DCAARN CSc1ncc(C(=O)NC[C@@H]2CN(C(C)=O)CCO2)cn1 ZINC000299771869 416065903 /nfs/dbraw/zinc/06/59/03/416065903.db2.gz ZLWPZLUYDCSYEZ-LLVKDONJSA-N 0 0 310.379 0.176 50 0 DCAARN CN(C)c1ncnc2c1CCN(C(=O)CCCn1cncn1)C2 ZINC000299779564 416066741 /nfs/dbraw/zinc/06/67/41/416066741.db2.gz QUHKDUSLSJKLTD-UHFFFAOYSA-N 0 0 315.381 0.499 50 0 DCAARN CCCn1cnnc1[C@@H](C)NC(=O)c1ccc2nnnn2c1 ZINC000299787733 416068855 /nfs/dbraw/zinc/06/88/55/416068855.db2.gz XLZBYIGHZLSKGO-SECBINFHSA-N 0 0 300.326 0.617 50 0 DCAARN O=C(NCCSc1nc[nH]n1)[C@H]1CCCCN1C(=O)C1CC1 ZINC000299792040 416069936 /nfs/dbraw/zinc/06/99/36/416069936.db2.gz DKVGZJMUDJVURZ-LLVKDONJSA-N 0 0 323.422 0.804 50 0 DCAARN O=C(Cc1ccc(O)cc1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299801569 416071202 /nfs/dbraw/zinc/07/12/02/416071202.db2.gz ZFLXSGOFVVRMJZ-GJZGRUSLSA-N 0 0 314.345 0.899 50 0 DCAARN O=C(Cc1ccccc1Cl)N1CCN2C(=O)CNC(=O)[C@@H]2C1 ZINC000299796267 416071936 /nfs/dbraw/zinc/07/19/36/416071936.db2.gz NODLFECLKVEGMP-LBPRGKRZSA-N 0 0 321.764 0.052 50 0 DCAARN NS(=O)(=O)c1ccccc1N1CCN(CCCF)CC1 ZINC000190315761 416277847 /nfs/dbraw/zinc/27/78/47/416277847.db2.gz MSWIPPCHPUWUJJ-UHFFFAOYSA-N 0 0 301.387 0.816 50 0 DCAARN CC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@H]2C(N)=O)c1 ZINC000252504993 416334551 /nfs/dbraw/zinc/33/45/51/416334551.db2.gz HLMHICIBRRDPTF-ZFWWWQNUSA-N 0 0 306.362 0.579 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1cc2c([nH]c1=O)CCC2 ZINC000214999918 416326949 /nfs/dbraw/zinc/32/69/49/416326949.db2.gz GZOXSOIHSKHNMB-SECBINFHSA-N 0 0 310.375 0.028 50 0 DCAARN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Cc1[nH]c(O)nc1O ZINC000215348429 416327042 /nfs/dbraw/zinc/32/70/42/416327042.db2.gz HDEABHXXXPPKHS-VIFPVBQESA-N 0 0 307.354 0.264 50 0 DCAARN COc1ccc(C[NH+]2CCC3(CC2)N=C(N(C)C)NC3=O)cn1 ZINC000215082328 416327091 /nfs/dbraw/zinc/32/70/91/416327091.db2.gz RJQXLXBEUWGPTK-UHFFFAOYSA-N 0 0 317.393 0.472 50 0 DCAARN CS(=O)(=O)C[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1 ZINC000215605907 416327199 /nfs/dbraw/zinc/32/71/99/416327199.db2.gz NYKKYHSDUDPWMK-SNVBAGLBSA-N 0 0 311.407 0.795 50 0 DCAARN C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2[nH]nc(N)c2Cl)C1 ZINC000215616622 416327235 /nfs/dbraw/zinc/32/72/35/416327235.db2.gz ZEBSHMKRRLQSPT-LBPRGKRZSA-N 0 0 301.778 0.174 50 0 DCAARN COCCOCCC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000225510541 416327788 /nfs/dbraw/zinc/32/77/88/416327788.db2.gz OXCAWLHHXQFAGA-CQSZACIVSA-N 0 0 324.425 0.867 50 0 DCAARN C[C@H](NC(=O)N(C)CCCn1ccnc1)c1nnnn1C1CC1 ZINC000241586463 416330028 /nfs/dbraw/zinc/33/00/28/416330028.db2.gz OWELGDZSTDDWBL-NSHDSACASA-N 0 0 318.385 0.997 50 0 DCAARN CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000239475450 416330174 /nfs/dbraw/zinc/33/01/74/416330174.db2.gz AOKITJZTSZKDMK-LLVKDONJSA-N 0 0 313.379 0.022 50 0 DCAARN C[C@H]1C(=O)NCCN1S(=O)(=O)N1CCC[C@H]1c1ccco1 ZINC000242292577 416330401 /nfs/dbraw/zinc/33/04/01/416330401.db2.gz YNJFTEREKVHYTM-QWRGUYRKSA-N 0 0 313.379 0.482 50 0 DCAARN CCc1n[nH]cc1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 ZINC000243932112 416330408 /nfs/dbraw/zinc/33/04/08/416330408.db2.gz BSZJSCQHPNLVPJ-OLUVUFQESA-N 0 0 303.366 0.948 50 0 DCAARN COc1ccc(C2(C(=O)N3CCNC(=O)[C@H]3CCO)CC2)cc1 ZINC000244626709 416330499 /nfs/dbraw/zinc/33/04/99/416330499.db2.gz FQYQQSLVQROVGL-CQSZACIVSA-N 0 0 318.373 0.436 50 0 DCAARN Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)CCc2ccccn2)C1 ZINC000244724300 416330709 /nfs/dbraw/zinc/33/07/09/416330709.db2.gz MRNGHQBKYVGXAU-BJHJDKERSA-N 0 0 315.377 0.697 50 0 DCAARN COC(=O)[C@@H](C)N(Cc1ccc(S(N)(=O)=O)o1)C1CCC1 ZINC000583652017 416482713 /nfs/dbraw/zinc/48/27/13/416482713.db2.gz YFSHYLDKZBXMSI-SECBINFHSA-N 0 0 316.379 0.843 50 0 DCAARN CCc1nc(C)c(CC(=O)N[C@@H](C)c2nc(N)n[nH]2)c(=O)[nH]1 ZINC000584894703 416516739 /nfs/dbraw/zinc/51/67/39/416516739.db2.gz IDAKXNBVFGXLDV-ZETCQYMHSA-N 0 0 305.342 0.173 50 0 DCAARN O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000585124355 416517697 /nfs/dbraw/zinc/51/76/97/416517697.db2.gz KWOAZMLQRNCPIJ-CHWSQXEVSA-N 0 0 306.753 0.918 50 0 DCAARN CC(C)(C)CN1CCC[C@@H](N2CCN(c3nc[nH]n3)CC2)C1=O ZINC000585116111 416517722 /nfs/dbraw/zinc/51/77/22/416517722.db2.gz HNTAXYXQSLYNTD-CYBMUJFWSA-N 0 0 320.441 0.964 50 0 DCAARN Cc1ccc(S(=O)(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1C ZINC000585118937 416517753 /nfs/dbraw/zinc/51/77/53/416517753.db2.gz JBVUCLBMEQIXIW-UHFFFAOYSA-N 0 0 323.374 0.502 50 0 DCAARN O=C(NCCc1ccccn1)c1cc(N2CCOCC2)ncn1 ZINC000585121011 416518748 /nfs/dbraw/zinc/51/87/48/416518748.db2.gz BTJVOYALQGZERE-UHFFFAOYSA-N 0 0 313.361 0.681 50 0 DCAARN CNc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)o1 ZINC000585134109 416519881 /nfs/dbraw/zinc/51/98/81/416519881.db2.gz DYBUTQSXCHEHFV-UHFFFAOYSA-N 0 0 308.363 1.563 50 0 DCAARN CC(C)Oc1ccccc1CS(=O)(=O)c1nnc(N)n1C ZINC000585136552 416520056 /nfs/dbraw/zinc/52/00/56/416520056.db2.gz KLNXBKQDNKZAQJ-UHFFFAOYSA-N 0 0 310.379 1.158 50 0 DCAARN Nc1n[nH]c(C2CCN(C(=O)COC[C@@H]3CCCO3)CC2)n1 ZINC000426431141 416765686 /nfs/dbraw/zinc/76/56/86/416765686.db2.gz NYPZIUXHCQSJRM-NSHDSACASA-N 0 0 309.370 0.289 50 0 DCAARN CN1C(=O)C[C@H](C(=O)NC(C)(C)c2nnc(N)s2)C1(C)C ZINC000426624903 416777287 /nfs/dbraw/zinc/77/72/87/416777287.db2.gz WXZTWRRYLQKXKL-SSDOTTSWSA-N 0 0 311.411 0.729 50 0 DCAARN CN1C(=O)C[C@@H](C(=O)NC(C)(C)c2nnc(N)s2)C1(C)C ZINC000426624908 416777357 /nfs/dbraw/zinc/77/73/57/416777357.db2.gz WXZTWRRYLQKXKL-ZETCQYMHSA-N 0 0 311.411 0.729 50 0 DCAARN COCc1ncc(CNC(=O)c2cc(Cl)cn2C)c(N)n1 ZINC000408517708 417165123 /nfs/dbraw/zinc/16/51/23/417165123.db2.gz NCYPJNGZEHRONK-UHFFFAOYSA-N 0 0 309.757 1.127 50 0 DCAARN CCn1ncc(CNC(=O)N[C@@H](C)c2nnc3n2CCCC3)n1 ZINC000527821806 417277723 /nfs/dbraw/zinc/27/77/23/417277723.db2.gz KIIFERSPFZVLAN-JTQLQIEISA-N 0 0 318.385 0.786 50 0 DCAARN OC[C@]1(NCc2nnnn2C2CC2)COc2ccccc2C1 ZINC000528649473 417374923 /nfs/dbraw/zinc/37/49/23/417374923.db2.gz IQSFLAZDYGYIOZ-HNNXBMFYSA-N 0 0 301.350 0.464 50 0 DCAARN Cn1cc(C(=O)N2CCC[C@@H]2c2ccc(=O)[nH]n2)ccc1=O ZINC000530075331 417538457 /nfs/dbraw/zinc/53/84/57/417538457.db2.gz HKHIIWBQTLCFFQ-GFCCVEGCSA-N 0 0 300.318 0.858 50 0 DCAARN Cc1cccc(CC(=O)NCCOCCN2C(=O)CCC2=O)c1 ZINC000575620386 417541692 /nfs/dbraw/zinc/54/16/92/417541692.db2.gz SCRFLIQQTNMEBQ-UHFFFAOYSA-N 0 0 318.373 0.819 50 0 DCAARN CCC1CCN(S(=O)(=O)NCc2nc(C(N)=O)co2)CC1 ZINC000657071491 417799901 /nfs/dbraw/zinc/79/99/01/417799901.db2.gz STRPOXTYTQXBNG-UHFFFAOYSA-N 0 0 316.383 0.230 50 0 DCAARN CN1CC[C@@H](C(=O)N(CC(F)(F)F)C2CC2)S1(=O)=O ZINC000648257693 418120658 /nfs/dbraw/zinc/12/06/58/418120658.db2.gz MXOSLPZISWLHCU-QMMMGPOBSA-N 0 0 300.302 0.574 50 0 DCAARN COCCn1cnnc1[C@H](C)NC(=O)c1cnn2ccn(C)c12 ZINC000299789030 229446161 /nfs/dbraw/zinc/44/61/61/229446161.db2.gz YFDBXHXIOZPKKB-JTQLQIEISA-N 0 0 317.353 0.402 50 0 DCAARN CCn1ncc(CNC(=O)N[C@H](c2nccn2C)C2CC2)n1 ZINC000527938628 272626501 /nfs/dbraw/zinc/62/65/01/272626501.db2.gz KIZREWXMRUPPPW-LBPRGKRZSA-N 0 0 303.370 0.982 50 0 DCAARN O=C(c1cn[nH]n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000047816438 275015367 /nfs/dbraw/zinc/01/53/67/275015367.db2.gz KLORWMDZZIENJY-UHFFFAOYSA-N 0 0 312.333 0.925 50 0 DCAARN CCn1c(SCC(=O)NC(N)=O)nc2ccccc2c1=O ZINC000006093403 276711771 /nfs/dbraw/zinc/71/17/71/276711771.db2.gz HNLRAANYLQELGV-UHFFFAOYSA-N 0 0 306.347 0.703 50 0 DCAARN COC(=O)[C@@H]1CN(c2nc3c(s2)c(C)nn3C)CCN1C ZINC000096180659 277100999 /nfs/dbraw/zinc/10/09/99/277100999.db2.gz QCGXOVJZOYJNNM-VIFPVBQESA-N 0 0 309.395 0.632 50 0 DCAARN CC(C)C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCc2nccn2C1 ZINC000373740099 277492314 /nfs/dbraw/zinc/49/23/14/277492314.db2.gz DQPXDFGXUPUONT-STQMWFEESA-N 0 0 304.394 0.819 50 0 DCAARN CC(=O)N1CC2(C[C@H]1C(=O)[O-])CC[NH+](C1CCOCC1)CC2 ZINC000091713180 277981579 /nfs/dbraw/zinc/98/15/79/277981579.db2.gz ZFZGVYHKGZOBBA-AWEZNQCLSA-N 0 0 310.394 0.953 50 0 DCAARN CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)c1ccccc1NC2=O ZINC000000609779 278086707 /nfs/dbraw/zinc/08/67/07/278086707.db2.gz QDWKLRLPQFUCSM-CYBMUJFWSA-N 0 0 304.331 0.794 50 0 DCAARN CC1=C(C(=O)OC(C)C)[C@]2(O)C(=O)c3ccccc3[C@@]2(O)N1 ZINC000013471087 278488553 /nfs/dbraw/zinc/48/85/53/278488553.db2.gz SPEITRFVNOZBRU-HOTGVXAUSA-N 0 0 303.314 0.588 50 0 DCAARN CC(C)(CNC(=O)[C@@H](C1CC1)N1CCCC1)S(C)(=O)=O ZINC000097135326 278618597 /nfs/dbraw/zinc/61/85/97/278618597.db2.gz UPSLDGCTIKBRGT-GFCCVEGCSA-N 0 0 302.440 0.800 50 0 DCAARN CC(C)C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000106551975 279194571 /nfs/dbraw/zinc/19/45/71/279194571.db2.gz UNCHCBJAXKFYNN-UTUOFQBUSA-N 0 0 306.428 0.586 50 0 DCAARN CC(C)c1ccc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c(=O)n1C ZINC000299763494 280593854 /nfs/dbraw/zinc/59/38/54/280593854.db2.gz XDHANRAPZBOALV-NSHDSACASA-N 0 0 319.361 0.785 50 0 DCAARN C[C@@H]1CN(c2nc3c(cnn3C)c(N)n2)C[C@@]2(CCCOC2)O1 ZINC000253430116 288275014 /nfs/dbraw/zinc/27/50/14/288275014.db2.gz JNYUBIJOMMUVTB-MEBBXXQBSA-N 0 0 318.381 0.720 50 0 DCAARN CC1CCC2(CC1)NC(=O)N(CN1CCCC[C@@H]1C(N)=O)C2=O ZINC000037187876 281773761 /nfs/dbraw/zinc/77/37/61/281773761.db2.gz KZRCYDNBCGOYHN-BWBHSNQOSA-N 0 0 322.409 0.784 50 0 DCAARN CN(C)[C@H](C(=O)N1CC(N2CCOCC2)C1)c1ccccc1F ZINC000092038960 289344099 /nfs/dbraw/zinc/34/40/99/289344099.db2.gz GLSXMUPTWNOXLC-INIZCTEOSA-N 0 0 321.396 0.971 50 0 DCAARN CN1C[C@@H](NS(=O)(=O)c2cc(F)c(F)c(F)c2)CC1=O ZINC000096427878 290277795 /nfs/dbraw/zinc/27/77/95/290277795.db2.gz XZFYFLFXRGGMOH-LURJTMIESA-N 0 0 308.281 0.613 50 0 DCAARN Nc1nccnc1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000021497996 295373365 /nfs/dbraw/zinc/37/33/65/295373365.db2.gz FAQCFNKCIFFHKZ-JTQLQIEISA-N 0 0 318.358 0.707 50 0 DCAARN Cn1nnc2c1ncnc2N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000005442409 303106629 /nfs/dbraw/zinc/10/66/29/303106629.db2.gz JIGLQPGLDIRCFH-MNOVXSKESA-N 0 0 323.360 0.544 50 0 DCAARN COC(=O)[C@@H](C)CS(=O)(=O)NCc1cccc(OC)c1 ZINC000075103739 331947456 /nfs/dbraw/zinc/94/74/56/331947456.db2.gz SNSIKGLVBOFFNE-JTQLQIEISA-N 0 0 301.364 0.924 50 0 DCAARN O=C(NCCCn1ccnn1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000534587734 334292794 /nfs/dbraw/zinc/29/27/94/334292794.db2.gz DUXUEWQSSRSFFA-LBPRGKRZSA-N 0 0 303.370 0.981 50 0 DCAARN COC[C@H]1CCCN1S(=O)(=O)NCc1nccn1C(C)C ZINC000534649961 334311318 /nfs/dbraw/zinc/31/13/18/334311318.db2.gz KNPONMPPUHGEDU-GFCCVEGCSA-N 0 0 316.427 0.909 50 0 DCAARN Cc1[nH]c2cc(=O)[nH]n2c(=O)c1CCC(=O)N[C@H](CO)C(C)C ZINC000253537178 341457302 /nfs/dbraw/zinc/45/73/02/341457302.db2.gz QZZXVYUTAUCWLI-LLVKDONJSA-N 0 0 322.365 0.102 50 0 DCAARN CC[NH+](CC)CCS(=O)(=O)[N-]c1nc(OC)cc(OC)n1 ZINC000328594554 517639445 /nfs/dbraw/zinc/63/94/45/517639445.db2.gz UALAWVHOYNSIQV-UHFFFAOYSA-N 0 0 318.399 0.577 50 0 DCAARN CC(C)(C)OC(=O)NCCNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000493963524 534887648 /nfs/dbraw/zinc/88/76/48/534887648.db2.gz NHTBHSUTVZUWIR-UHFFFAOYSA-N 0 0 321.337 0.689 50 0 DCAARN C=CC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000408525912 526916210 /nfs/dbraw/zinc/91/62/10/526916210.db2.gz MZKZUPVUIXQLEA-UHFFFAOYSA-N 0 0 303.366 0.148 50 0 DCAARN CCN1OC[C@@H](N2CCC[C@H](c3nnc4n3CCC4)C2)C1=O ZINC000408523283 527993767 /nfs/dbraw/zinc/99/37/67/527993767.db2.gz QQLPPLCUDYVWNL-NWDGAFQWSA-N 0 0 305.382 0.566 50 0 DCAARN CCc1cccc(CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)c1 ZINC000276044744 529168048 /nfs/dbraw/zinc/16/80/48/529168048.db2.gz HCNHMFIUQDIBHH-CYBMUJFWSA-N 0 0 316.361 0.776 50 0 DCAARN CCOCCCNC(=O)c1cnc(N2CCN(C)CC2)nc1C ZINC000021638102 535547970 /nfs/dbraw/zinc/54/79/70/535547970.db2.gz SFXPFUBFRMQFIB-UHFFFAOYSA-N 0 0 321.425 0.693 50 0 DCAARN CCOC(=O)[C@H](C)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000058439887 535625285 /nfs/dbraw/zinc/62/52/85/535625285.db2.gz SFVFFUWOKZCHCO-NSHDSACASA-N 0 0 318.381 0.437 50 0 DCAARN Cc1noc(CO[C@H]2CCCN(C(=O)Cn3ccnc3)C2)n1 ZINC000075876362 545675983 /nfs/dbraw/zinc/67/59/83/545675983.db2.gz CWPAABNCFODAQZ-LBPRGKRZSA-N 0 0 305.338 0.782 50 0 DCAARN CN(Cc1nnc(C2CC2)o1)[C@H]1CCN(CC(=O)NC2CC2)C1 ZINC000083867852 545697582 /nfs/dbraw/zinc/69/75/82/545697582.db2.gz MHTKAWPRMNRFDA-ZDUSSCGKSA-N 0 0 319.409 0.732 50 0 DCAARN CCOCCN1CCN(C(=O)CNC(=O)[C@H](C)CC)C[C@H]1C ZINC000084721264 545702642 /nfs/dbraw/zinc/70/26/42/545702642.db2.gz JQICOMKFQXSCHO-ZIAGYGMSSA-N 0 0 313.442 0.718 50 0 DCAARN O=C(c1cc(=O)[n-]o1)N1C[C@@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091644529 545719212 /nfs/dbraw/zinc/71/92/12/545719212.db2.gz DFTSOZMZWPLRSS-NEPJUHHUSA-N 0 0 309.366 0.547 50 0 DCAARN CCOc1cnc(C(=O)N2CCC[C@H](CCC(N)=O)C2)cn1 ZINC000189014684 545919660 /nfs/dbraw/zinc/91/96/60/545919660.db2.gz DLTOYJHBTVZJDS-LLVKDONJSA-N 0 0 306.366 0.993 50 0 DCAARN COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(C)(=O)=O ZINC000206804524 545936959 /nfs/dbraw/zinc/93/69/59/545936959.db2.gz WJWYPMVKXAAGHN-ONGXEEELSA-N 0 0 317.338 0.780 50 0 DCAARN COc1ccc(CCC(=O)N[C@H]2C[C@@H](C(=O)[O-])[N@H+](C)C2)cc1 ZINC000218796457 545940052 /nfs/dbraw/zinc/94/00/52/545940052.db2.gz AYOKGFMOFSHAPI-JSGCOSHPSA-N 0 0 306.362 0.901 50 0 DCAARN CCc1cccc(NC(=O)CN2CCO[C@H](C)[C@H]2C(N)=O)c1 ZINC000285257333 546001897 /nfs/dbraw/zinc/00/18/97/546001897.db2.gz RRDVYPOHFJGTBZ-ABAIWWIYSA-N 0 0 305.378 0.762 50 0 DCAARN NC(=O)C1(NC(=O)c2ccc(-n3ccnn3)cc2)CCOCC1 ZINC000584908273 546302728 /nfs/dbraw/zinc/30/27/28/546302728.db2.gz MHHFIYCTXRHZSA-UHFFFAOYSA-N 0 0 315.333 0.032 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)[C@@H](C)CCO)C1 ZINC000585090532 546303552 /nfs/dbraw/zinc/30/35/52/546303552.db2.gz GQKSILKKSFQXGR-RYUDHWBXSA-N 0 0 306.428 0.277 50 0 DCAARN COc1ncc(Br)c(N2CCC[C@H](C(N)=O)C2)n1 ZINC000585092604 546303579 /nfs/dbraw/zinc/30/35/79/546303579.db2.gz GLPYHMRKWBIMFI-ZETCQYMHSA-N 0 0 315.171 0.949 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CC(N3CC[C@@H](CO)C3)C2)cc1 ZINC000670437942 547090433 /nfs/dbraw/zinc/09/04/33/547090433.db2.gz OMFNZAGWSVRVPO-CYBMUJFWSA-N 0 0 310.419 0.682 50 0 DCAARN Cc1cn2c(nc(CN3CCN4C(=O)OC[C@H]4C3)cc2=O)s1 ZINC000670437974 547091388 /nfs/dbraw/zinc/09/13/88/547091388.db2.gz OSYWUOLHDKNUSR-LLVKDONJSA-N 0 0 320.374 0.701 50 0 DCAARN Cc1ccnc(NC(=O)CCC(=O)N[C@@H]2CC(=O)N(C)C2)c1 ZINC000670441031 547091437 /nfs/dbraw/zinc/09/14/37/547091437.db2.gz DUISLVLMKVQDCF-LLVKDONJSA-N 0 0 304.350 0.456 50 0 DCAARN O=C1C[C@H](CNS(=O)(=O)c2cn[nH]c2)CN1C1CCCC1 ZINC000670445249 547093629 /nfs/dbraw/zinc/09/36/29/547093629.db2.gz FFAFWLDGGSYJJD-SNVBAGLBSA-N 0 0 312.395 0.479 50 0 DCAARN CN1CCN(S(=O)(=O)c2ccc3[nH]cnc3c2)C[C@@H]1CCO ZINC000670453678 547096529 /nfs/dbraw/zinc/09/65/29/547096529.db2.gz BCWQEMARPSJFDQ-NSHDSACASA-N 0 0 324.406 0.250 50 0 DCAARN CCc1cc(N2CCN(c3cncc(C(N)=O)n3)CC2)ncn1 ZINC000670461049 547098853 /nfs/dbraw/zinc/09/88/53/547098853.db2.gz CRUDIFZHIPFMFQ-UHFFFAOYSA-N 0 0 313.365 0.255 50 0 DCAARN COC(=O)Cn1cc(CN2CCO[C@@H](C(F)(F)F)C2)nn1 ZINC000685943678 548747608 /nfs/dbraw/zinc/74/76/08/548747608.db2.gz KNBVWOFMTWIDLJ-SECBINFHSA-N 0 0 308.260 0.214 50 0 DCAARN CCCC(=O)NCC(=O)NCc1ccnc(N2CCCCC2)n1 ZINC000206726804 563636653 /nfs/dbraw/zinc/63/66/53/563636653.db2.gz GHJYMZNVEUBKPC-UHFFFAOYSA-N 0 0 319.409 0.999 50 0 DCAARN CCCC[C@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)NC ZINC000585088585 661465207 /nfs/dbraw/zinc/46/52/07/661465207.db2.gz BVPLHPCVOZFJPV-NWDGAFQWSA-N 0 0 318.439 0.574 50 0 DCAARN CCN(Cc1ccco1)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000044909440 664374755 /nfs/dbraw/zinc/37/47/55/664374755.db2.gz SOBQUVSJMUYFIZ-BQYQJAHWSA-N 0 0 317.345 0.739 50 0 DCAARN CN1CCO[C@H](CNC(=O)Cn2ccc(=O)c3ccccc32)C1 ZINC000171286015 664606744 /nfs/dbraw/zinc/60/67/44/664606744.db2.gz CEZTZFMFOBILIZ-CYBMUJFWSA-N 0 0 315.373 0.448 50 0 DCAARN O=C(NCc1ccccc1CN1CCOCC1)[C@H]1CCC(=O)N1 ZINC000072748257 666410989 /nfs/dbraw/zinc/41/09/89/666410989.db2.gz NQYSIRQFVNPKBD-OAHLLOKOSA-N 0 0 317.389 0.414 50 0 DCAARN CS(=O)(=O)N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000012592154 667459420 /nfs/dbraw/zinc/45/94/20/667459420.db2.gz NUGVPHHPIVRGAZ-JTQLQIEISA-N 0 0 302.783 0.990 50 0 DCAARN O=C(Cn1cccn1)NC[C@@H]1CCCN(c2cnccn2)C1 ZINC000952969290 685599087 /nfs/dbraw/zinc/59/90/87/685599087.db2.gz QAEDXVNPOIOYAC-ZDUSSCGKSA-N 0 0 300.366 0.706 50 0 DCAARN Cn1cncc1C(=O)NC[C@@H]1CCCN(c2cnccn2)C1 ZINC000952978717 685600987 /nfs/dbraw/zinc/60/09/87/685600987.db2.gz ZHLMNWNPHYZTOT-LBPRGKRZSA-N 0 0 300.366 0.857 50 0 DCAARN CCc1nnc(CN(C(=O)CCS(C)(=O)=O)C(C)C)o1 ZINC000952985016 685602009 /nfs/dbraw/zinc/60/20/09/685602009.db2.gz ADGZPWNSZGEVGO-UHFFFAOYSA-N 0 0 303.384 0.804 50 0 DCAARN CC1=NO[C@H](C(=O)N2CCN(c3ncnc(C)c3C)CC2)C1 ZINC000952982670 685602069 /nfs/dbraw/zinc/60/20/69/685602069.db2.gz ZRNNHPMZTGQXRE-ZDUSSCGKSA-N 0 0 303.366 0.907 50 0 DCAARN CC1=C(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)OCCO1 ZINC000952987169 685602965 /nfs/dbraw/zinc/60/29/65/685602965.db2.gz KERZIVGIECXOCH-CYBMUJFWSA-N 0 0 321.377 0.970 50 0 DCAARN CC[NH+]1CCN(C2CN(C(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000952995464 685603302 /nfs/dbraw/zinc/60/33/02/685603302.db2.gz NGDBBQLOJXYUPR-OKILXGFUSA-N 0 0 310.442 0.537 50 0 DCAARN Cc1cccc(CN2CCN3C(=O)[C@H](C)N(C)C(=O)[C@H]3C2)n1 ZINC000014534753 685047632 /nfs/dbraw/zinc/04/76/32/685047632.db2.gz SYZXLWGCXUNWJG-GXTWGEPZSA-N 0 0 302.378 0.263 50 0 DCAARN O=C(Cn1ncc(N2CCCC2)cc1=O)N[C@@H]1CCSC1 ZINC000019772225 685051904 /nfs/dbraw/zinc/05/19/04/685051904.db2.gz OLCPKEKGPBSPNG-LLVKDONJSA-N 0 0 308.407 0.465 50 0 DCAARN COc1cc(CN2CCN(CCOCCO)CC2)ccc1O ZINC000019606778 685052001 /nfs/dbraw/zinc/05/20/01/685052001.db2.gz CMNGOPSBYFDWLN-UHFFFAOYSA-N 0 0 310.394 0.527 50 0 DCAARN C[C@H](CC1=CCCN(CC(N)=O)C1)NC(=O)c1cccnc1 ZINC000067654200 685070060 /nfs/dbraw/zinc/07/00/60/685070060.db2.gz ZKKYGJBXTZEEBV-GFCCVEGCSA-N 0 0 302.378 0.707 50 0 DCAARN Cc1ccc(C2(O)CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)nc1 ZINC000067908053 685070477 /nfs/dbraw/zinc/07/04/77/685070477.db2.gz HBPFKFHKXNNFJW-UHFFFAOYSA-N 0 0 316.361 0.663 50 0 DCAARN COc1cccc(OC[C@H](O)CNc2nnc(CN(C)C)o2)c1 ZINC001772702486 1157841355 /nfs/dbraw/zinc/84/13/55/1157841355.db2.gz WIIQHILUFXYFPI-LLVKDONJSA-N 0 0 322.365 0.992 50 0 DCAARN Cc1nn(CCCNC(=O)c2cnc(C(N)=O)cn2)c(C)c1C ZINC001772712447 1157848904 /nfs/dbraw/zinc/84/89/04/1157848904.db2.gz SCXOHXFNYPOJIC-UHFFFAOYSA-N 0 0 316.365 0.517 50 0 DCAARN C[C@@H]1C(=O)N2CCC[C@@H]2CN1C(=O)c1ccc(N(C)C)nc1 ZINC001772711331 1157848966 /nfs/dbraw/zinc/84/89/66/1157848966.db2.gz HMPMDNZQEVIPIS-DGCLKSJQSA-N 0 0 302.378 0.983 50 0 DCAARN C[N@@H+]1CCC[C@]2(C(=O)[O-])CCN(c3cc(C(N)=O)ccn3)C[C@@H]12 ZINC001704301405 1179966039 /nfs/dbraw/zinc/96/60/39/1179966039.db2.gz YDTWSZYEUSCKRC-WBMJQRKESA-N 0 0 318.377 0.556 50 0 DCAARN COCc1noc(CN2C[C@H](O)[C@H](Cc3ccncc3)C2)n1 ZINC001704300458 1179966582 /nfs/dbraw/zinc/96/65/82/1179966582.db2.gz VXJHIIMVXDRRMK-OLZOCXBDSA-N 0 0 304.350 0.646 50 0 DCAARN Cc1ccccc1OC[C@H](O)C(=O)N(CCO)Cc1ncc[nH]1 ZINC001704311775 1179969410 /nfs/dbraw/zinc/96/94/10/1179969410.db2.gz CHAWJEUCTYRIIH-ZDUSSCGKSA-N 0 0 319.361 0.479 50 0 DCAARN COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)N(C)C3=O)c1C ZINC001704313028 1179969519 /nfs/dbraw/zinc/96/95/19/1179969519.db2.gz FFBTYRPXRDZCPJ-OLZOCXBDSA-N 0 0 318.373 0.933 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@]2(CCc3cnc(N)nc32)C1 ZINC001704312034 1179969990 /nfs/dbraw/zinc/96/99/90/1179969990.db2.gz JRJCOMWCVQXYKF-ZDUSSCGKSA-N 0 0 311.411 0.145 50 0 DCAARN Cc1cccc(S(=O)(=O)N2C[C@@H]3COC[C@H](C2)N(C)C3=O)c1 ZINC001704312075 1179970016 /nfs/dbraw/zinc/97/00/16/1179970016.db2.gz YSLLOVRLCJPGJF-OLZOCXBDSA-N 0 0 324.402 0.473 50 0 DCAARN COc1nc(N2CCC(NS(C)(=O)=O)CC2)ncc1F ZINC001704314426 1179971364 /nfs/dbraw/zinc/97/13/64/1179971364.db2.gz QOIWAVPWTGOERZ-UHFFFAOYSA-N 0 0 304.347 0.142 50 0 DCAARN CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccsc1 ZINC001704338801 1179977333 /nfs/dbraw/zinc/97/73/33/1179977333.db2.gz ZLSXKDDVBFTYHJ-WDEREUQCSA-N 0 0 318.420 0.384 50 0 DCAARN Cc1cc(=O)[nH]c(CCNS(=O)(=O)N2CCC(C)CC2)n1 ZINC000822425705 758195035 /nfs/dbraw/zinc/19/50/35/758195035.db2.gz HEAQQNNTBLSPKU-UHFFFAOYSA-N 0 0 314.411 0.599 50 0 DCAARN CCO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1 ZINC000823350067 758239411 /nfs/dbraw/zinc/23/94/11/758239411.db2.gz FFGUBHWOLZEYLK-STQMWFEESA-N 0 0 302.371 0.823 50 0 DCAARN COC(=O)C[C@H](c1cnn(C)c1)c1c(O)cc(C)n(C)c1=O ZINC000824134583 758759236 /nfs/dbraw/zinc/75/92/36/758759236.db2.gz OGWDXTQZJUWHTL-LLVKDONJSA-N 0 0 305.334 0.828 50 0 DCAARN COC[C@H]1CCCN1S(=O)(=O)NCCc1nccs1 ZINC000824371078 758771830 /nfs/dbraw/zinc/77/18/30/758771830.db2.gz TYALXJQANJSPFB-SNVBAGLBSA-N 0 0 305.425 0.631 50 0 DCAARN COCCN(C)CC(=O)NC[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000824405758 758772818 /nfs/dbraw/zinc/77/28/18/758772818.db2.gz ZIDKPTRLRMODNQ-CYBMUJFWSA-N 0 0 311.426 0.472 50 0 DCAARN COCCN1C[C@@H](C(=O)NCCCc2c(C)n[nH]c2C)CC1=O ZINC000824412303 758773033 /nfs/dbraw/zinc/77/30/33/758773033.db2.gz BUXJRIMKDYOHJB-ZDUSSCGKSA-N 0 0 322.409 0.570 50 0 DCAARN COCCn1ccnc1CN1CCC[C@H](CS(C)(=O)=O)C1 ZINC000824466103 758775372 /nfs/dbraw/zinc/77/53/72/758775372.db2.gz HKZRKIFUBBACPV-ZDUSSCGKSA-N 0 0 315.439 0.786 50 0 DCAARN COc1ccc2c(c1)C=C(C[N@@H+]1C[C@H](O)C[C@H]1C(=O)[O-])CO2 ZINC000824750804 758783265 /nfs/dbraw/zinc/78/32/65/758783265.db2.gz ACLYNSGQBVCSQM-OCCSQVGLSA-N 0 0 305.330 0.991 50 0 DCAARN Cc1ncn(CCNC(=O)c2cccc(-n3cnnc3)n2)c1C ZINC000828175090 758936924 /nfs/dbraw/zinc/93/69/24/758936924.db2.gz FZDBHFVJKQILBR-UHFFFAOYSA-N 0 0 311.349 0.906 50 0 DCAARN CN1CCN(S(=O)(=O)N2CCCCCC2)C[C@@H]1CCO ZINC000828747365 759088812 /nfs/dbraw/zinc/08/88/12/759088812.db2.gz WTOIENSZBVORTL-ZDUSSCGKSA-N 0 0 305.444 0.106 50 0 DCAARN COCCOCC(=O)N1CCCCC[C@H]1CN1CCOCC1 ZINC000581787726 760248268 /nfs/dbraw/zinc/24/82/68/760248268.db2.gz AQIFCSRCBDGVKU-HNNXBMFYSA-N 0 0 314.426 0.753 50 0 DCAARN Cn1nccc1C(=O)N1CC[C@@H](CC(=O)N2CCOCC2)C1 ZINC000581783133 760250000 /nfs/dbraw/zinc/25/00/00/760250000.db2.gz QKOXSYVBOPBDQQ-LBPRGKRZSA-N 0 0 306.366 0.131 50 0 DCAARN CCOCc1nc([C@@H]2CCCN2C(=O)COCCOC)no1 ZINC000581795794 760253585 /nfs/dbraw/zinc/25/35/85/760253585.db2.gz USICAEULQLICKJ-NSHDSACASA-N 0 0 313.354 0.933 50 0 DCAARN CN(CCc1noc(C2CN(C(=O)C3CC3)C2)n1)C(=O)C1CC1 ZINC000581809763 760254780 /nfs/dbraw/zinc/25/47/80/760254780.db2.gz YKOLNEWSDARZID-UHFFFAOYSA-N 0 0 318.377 0.816 50 0 DCAARN CO[C@H](C)CS(=O)(=O)Nc1ccnc(S(C)(=O)=O)c1 ZINC000585128723 766290524 /nfs/dbraw/zinc/29/05/24/766290524.db2.gz LTZFXCDICBOGTH-MRVPVSSYSA-N 0 0 308.381 0.262 50 0 DCAARN CSC[C@@H](C)C(=O)N(C)CCn1cnc2c1ncnc2N ZINC000585131067 766292778 /nfs/dbraw/zinc/29/27/78/766292778.db2.gz KJHMOCLGBDSXJZ-SECBINFHSA-N 0 0 308.411 0.866 50 0 DCAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1nnc(C(N)=O)n1 ZINC000585133110 766292948 /nfs/dbraw/zinc/29/29/48/766292948.db2.gz SZUMKMDVGSJAKZ-VWYCJHECSA-N 0 0 309.370 0.776 50 0 DCAARN CCC1(CC)[C@H](NC(=O)CCCS(N)(=O)=O)C[C@H]1OC ZINC000585135663 766293002 /nfs/dbraw/zinc/29/30/02/766293002.db2.gz VGOZGJRUGUXJSP-GHMZBOCLSA-N 0 0 306.428 0.765 50 0 DCAARN CS(C)(=O)=NC(=O)CNC(=O)NC[C@H]1CCCC1(F)F ZINC000585137757 766293853 /nfs/dbraw/zinc/29/38/53/766293853.db2.gz RXGXOQKUWXYIMQ-MRVPVSSYSA-N 0 0 311.354 0.975 50 0 DCAARN COc1cc(C[C@@H]2CC[C@H](CN(C)CC(=O)N(C)C)O2)ncn1 ZINC000952854462 768917571 /nfs/dbraw/zinc/91/75/71/768917571.db2.gz MRCQGWZVLYCEBQ-UONOGXRCSA-N 0 0 322.409 0.595 50 0 DCAARN CN1C[C@H](NC(=O)CCC(=O)Nc2cccc(F)c2)CC1=O ZINC000952869863 768926009 /nfs/dbraw/zinc/92/60/09/768926009.db2.gz NPWLJRBADPRFHG-GFCCVEGCSA-N 0 0 307.325 0.891 50 0 DCAARN Cn1cncc1C(=O)NCC1CCN(c2cnsn2)CC1 ZINC000952873872 768937116 /nfs/dbraw/zinc/93/71/16/768937116.db2.gz PFWGEFOUBZHFJC-UHFFFAOYSA-N 0 0 306.395 0.918 50 0 DCAARN O=C1NC[C@@H]2CN(S(=O)(=O)C3CCC(F)(F)CC3)CCN12 ZINC000952877175 768941926 /nfs/dbraw/zinc/94/19/26/768941926.db2.gz MENXWRJPFQYFLK-SECBINFHSA-N 0 0 323.365 0.604 50 0 DCAARN O=C(NCCc1cn[nH]c1)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC001529118294 1014499327 /nfs/dbraw/zinc/49/93/27/1014499327.db2.gz JHAWYSIPRBQTBE-CABCVRRESA-N 0 0 314.345 0.325 50 0 DCAARN O=C(CCn1cnnc1)N1CCO[C@H](CO)[C@H]1c1ccccc1 ZINC001529189349 1014517538 /nfs/dbraw/zinc/51/75/38/1014517538.db2.gz NBFGQXGVPWEFOG-GDBMZVCRSA-N 0 0 316.361 0.629 50 0 DCAARN Cn1ccnc1C(=O)NCC[C@H]1CCCCN1S(C)(=O)=O ZINC001506411702 1017261059 /nfs/dbraw/zinc/26/10/59/1017261059.db2.gz KCQQPEVXNWRNPJ-LLVKDONJSA-N 0 0 314.411 0.354 50 0 DCAARN Cc1cc2cccc(C(=O)N(C)[C@@H]3CS(=O)(=O)C[C@H]3O)c2o1 ZINC001506414710 1017262360 /nfs/dbraw/zinc/26/23/60/1017262360.db2.gz RCOWGNRZUQDYFJ-CHWSQXEVSA-N 0 0 323.370 0.971 50 0 DCAARN COC[C@@H]1CCCN(S(=O)(=O)NC2(CO)CCCC2)C1 ZINC001506421321 1017267172 /nfs/dbraw/zinc/26/71/72/1017267172.db2.gz OLFKQKXLBQRXOL-GFCCVEGCSA-N 0 0 306.428 0.484 50 0 DCAARN CN(CCN1CCOCC1)c1ncc(F)c(N2CCCC2)n1 ZINC001506429658 1017271491 /nfs/dbraw/zinc/27/14/91/1017271491.db2.gz 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/nfs/dbraw/zinc/38/90/62/185389062.db2.gz OWQIAKCWXCXJNP-GZMMTYOYSA-N 0 0 303.318 0.965 50 0 DCAARN CCc1nsc(N2CCN(CCOCCOC)CC2)n1 ZINC000079469536 185172727 /nfs/dbraw/zinc/17/27/27/185172727.db2.gz LWSPQSQBSAGOGR-UHFFFAOYSA-N 0 0 300.428 0.886 50 0 DCAARN CC[C@]1(C)NC(=O)N(NC(=O)COc2cccc(OC)c2)C1=O ZINC000299448166 529415446 /nfs/dbraw/zinc/41/54/46/529415446.db2.gz FNHGPOCAGKVRKB-HNNXBMFYSA-N 0 0 321.333 0.826 50 0 DCAARN CCc1n[nH]c(C(=O)NCC2(CO)COC2)c1Br ZINC000331981152 529467018 /nfs/dbraw/zinc/46/70/18/529467018.db2.gz NBLHMKGGIRXLRS-UHFFFAOYSA-N 0 0 318.171 0.473 50 0 DCAARN CCc1ccc(C(=O)NCCNS(=O)(=O)NC(C)C)cc1 ZINC000277191980 529603716 /nfs/dbraw/zinc/60/37/16/529603716.db2.gz OPOVEYAESDBPAY-UHFFFAOYSA-N 0 0 313.423 0.811 50 0 DCAARN CCNC(=O)NC(=O)CN1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000089977471 185273337 /nfs/dbraw/zinc/27/33/37/185273337.db2.gz ZMXXBDUHWVIVFQ-YPMHNXCESA-N 0 0 323.397 0.011 50 0 DCAARN Cc1nnc(CCNC(=O)[C@@H](C)n2c3ccccc3oc2=O)[nH]1 ZINC000095389608 185351214 /nfs/dbraw/zinc/35/12/14/185351214.db2.gz LWUXQPHKDMZXMP-SECBINFHSA-N 0 0 315.333 0.941 50 0 DCAARN CNS(=O)(=O)c1ccccc1CNC(=O)c1cncc(O)c1 ZINC000095395267 185352513 /nfs/dbraw/zinc/35/25/13/185352513.db2.gz ZQNPOZCYIABZFI-UHFFFAOYSA-N 0 0 321.358 0.625 50 0 DCAARN COCCc1noc(CN(C)c2cnn(C)c(=O)c2Cl)n1 ZINC000095412286 185357721 /nfs/dbraw/zinc/35/77/21/185357721.db2.gz VXHFVIIYPZFARU-UHFFFAOYSA-N 0 0 313.745 0.642 50 0 DCAARN Cc1ccc(S(=O)(=O)NC[C@@](C)(O)c2cnn(C)c2)s1 ZINC000095433200 185363844 /nfs/dbraw/zinc/36/38/44/185363844.db2.gz SGOTVTMOKPEIHD-GFCCVEGCSA-N 0 0 315.420 0.976 50 0 DCAARN CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccn(C)c2)co1 ZINC000095439661 185366066 /nfs/dbraw/zinc/36/60/66/185366066.db2.gz ZCVJSFDZCQJFNA-UHFFFAOYSA-N 0 0 311.363 0.798 50 0 DCAARN CNC(=O)CSCc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000408518603 529867325 /nfs/dbraw/zinc/86/73/25/529867325.db2.gz PRPZUNFJZPRHHA-UHFFFAOYSA-N 0 0 308.812 0.967 50 0 DCAARN COC(=O)CNC(=O)CCn1nc(C)c(Br)c1C ZINC000032611175 190659268 /nfs/dbraw/zinc/65/92/68/190659268.db2.gz KWQQBZVNLFWCOU-UHFFFAOYSA-N 0 0 318.171 0.942 50 0 DCAARN Cc1noc(C)c1CCC(=O)N[C@H]1CCc2n[nH]c(=O)cc2C1 ZINC000225785242 201746224 /nfs/dbraw/zinc/74/62/24/201746224.db2.gz KVBFUEBFSRLPDE-LBPRGKRZSA-N 0 0 316.361 0.981 50 0 DCAARN C[C@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000107353423 185477494 /nfs/dbraw/zinc/47/74/94/185477494.db2.gz XIEASSRDCIKGFP-JSGCOSHPSA-N 0 0 310.419 0.983 50 0 DCAARN Cc1nnc2n1C[C@H](NC(=O)c1cn(-c3ccccc3)nn1)CC2 ZINC000065577978 282362531 /nfs/dbraw/zinc/36/25/31/282362531.db2.gz HBLZHEQPWXPNFZ-GFCCVEGCSA-N 0 0 323.360 0.912 50 0 DCAARN CN(C)C(=O)CNC(=O)[C@@]1(C)CC(c2ccc(F)cc2)=NO1 ZINC000226747137 201784676 /nfs/dbraw/zinc/78/46/76/201784676.db2.gz OYGSGHUSVLAUQD-OAHLLOKOSA-N 0 0 307.325 0.913 50 0 DCAARN COc1cc(C)nc(N2CCN(C(=O)[C@H]3CCOC3)CC2)n1 ZINC000069656312 190802713 /nfs/dbraw/zinc/80/27/13/190802713.db2.gz NOZMYYMQOSKYMC-LBPRGKRZSA-N 0 0 306.366 0.479 50 0 DCAARN CNC(=O)[C@H](NC(=O)Cn1ccc(C)cc1=O)c1ccccc1 ZINC000084247980 192416233 /nfs/dbraw/zinc/41/62/33/192416233.db2.gz QZAFVKXGZVBRJD-MRXNPFEDSA-N 0 0 313.357 0.760 50 0 DCAARN COc1ccnc(N2CC[C@H](S(=O)(=O)N3CCCC3)C2)n1 ZINC000133655932 186004032 /nfs/dbraw/zinc/00/40/32/186004032.db2.gz MAQWMGDKLDMCSQ-NSHDSACASA-N 0 0 312.395 0.490 50 0 DCAARN Cc1cc(C)n(NC(=O)Cc2nnc(-c3ccncc3)[nH]2)c(=O)c1 ZINC000071748495 191021224 /nfs/dbraw/zinc/02/12/24/191021224.db2.gz YJJIBJDESSHGNK-UHFFFAOYSA-N 0 0 324.344 0.958 50 0 DCAARN CC[C@@H](Oc1ccccc1)C(=O)N1CCCN(CC(N)=O)CC1 ZINC000071829410 191030735 /nfs/dbraw/zinc/03/07/35/191030735.db2.gz CHEPKUUOYVQDCI-OAHLLOKOSA-N 0 0 319.405 0.864 50 0 DCAARN COc1ccc(CC(=O)N2CCCN(CC(N)=O)CC2)cc1 ZINC000071829387 191031429 /nfs/dbraw/zinc/03/14/29/191031429.db2.gz NKXXQEDMLPWBLU-UHFFFAOYSA-N 0 0 305.378 0.257 50 0 DCAARN CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1C ZINC000072141686 191049117 /nfs/dbraw/zinc/04/91/17/191049117.db2.gz WIGHPZMAHMFOJF-CQSZACIVSA-N 0 0 319.405 0.749 50 0 DCAARN O=C(c1cn2cc(Cl)ccc2n1)N1CCC[C@@](O)(CO)C1 ZINC000072142938 191049905 /nfs/dbraw/zinc/04/99/05/191049905.db2.gz CUXLGHADHFGPBQ-AWEZNQCLSA-N 0 0 309.753 0.947 50 0 DCAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1)NC1CC1 ZINC000072148783 191054932 /nfs/dbraw/zinc/05/49/32/191054932.db2.gz NHTOVABXNREFTC-AWEZNQCLSA-N 0 0 305.353 0.795 50 0 DCAARN CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F ZINC000072149918 191055690 /nfs/dbraw/zinc/05/56/90/191055690.db2.gz JLKYRETVFYLNOM-LBPRGKRZSA-N 0 0 311.332 0.744 50 0 DCAARN COCCc1noc(CN2CCN(CC(C)C)C(=O)[C@@H]2C)n1 ZINC000072150154 191056080 /nfs/dbraw/zinc/05/60/80/191056080.db2.gz SNOKUWMOLXCECT-LBPRGKRZSA-N 0 0 310.398 0.947 50 0 DCAARN O=C(CCn1ccccc1=O)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC000072156428 191058661 /nfs/dbraw/zinc/05/86/61/191058661.db2.gz ZDDGJZUBDRCFKY-OAHLLOKOSA-N 0 0 305.334 0.339 50 0 DCAARN CCCn1nccc1C(=O)N1CCNC[C@@H]1C(=O)N1CCCC1 ZINC000072161592 191062714 /nfs/dbraw/zinc/06/27/14/191062714.db2.gz LHAQOKWHMXSCOC-CQSZACIVSA-N 0 0 319.409 0.330 50 0 DCAARN CN1C[C@]2(CCN(C(=O)CCn3cc(Cl)cn3)C2)OC1=O ZINC000072167873 191066983 /nfs/dbraw/zinc/06/69/83/191066983.db2.gz BJJKPXQJTDWEIY-ZDUSSCGKSA-N 0 0 312.757 0.980 50 0 DCAARN CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC)cc1 ZINC000072174633 191071066 /nfs/dbraw/zinc/07/10/66/191071066.db2.gz IPNNRPYQOFDFGI-CQSZACIVSA-N 0 0 305.378 0.522 50 0 DCAARN CC(C)CCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000072271324 191094533 /nfs/dbraw/zinc/09/45/33/191094533.db2.gz VAAGKPSHOXOIRF-UHFFFAOYSA-N 0 0 323.484 0.710 50 0 DCAARN CN(CC(=O)N1CCC[C@H]1Cn1cccn1)c1cnccn1 ZINC000072280004 191101596 /nfs/dbraw/zinc/10/15/96/191101596.db2.gz CZBCRPLHMIRFBV-ZDUSSCGKSA-N 0 0 300.366 0.801 50 0 DCAARN Cc1cc(C)c(CNC(=O)NCCCN2CCCC2=O)c(=O)[nH]1 ZINC000072284576 191103560 /nfs/dbraw/zinc/10/35/60/191103560.db2.gz JYSXJVCQUAJRQM-UHFFFAOYSA-N 0 0 320.393 0.803 50 0 DCAARN NS(=O)(=O)[C@@H]1CCCN(C(=O)CN2CCc3ccccc32)C1 ZINC000072293133 191109426 /nfs/dbraw/zinc/10/94/26/191109426.db2.gz MMNBCCYMRXZLHB-CYBMUJFWSA-N 0 0 323.418 0.329 50 0 DCAARN CS(=O)(=O)N1CCC(C(=O)Nc2ccn3nccc3c2)CC1 ZINC000225595241 186281221 /nfs/dbraw/zinc/28/12/21/186281221.db2.gz LBTLXWJDVHJYMY-UHFFFAOYSA-N 0 0 322.390 0.944 50 0 DCAARN CC[C@@H](CO)NC(=O)C(=O)Nc1sccc1C(=O)OC ZINC000072305049 191117584 /nfs/dbraw/zinc/11/75/84/191117584.db2.gz VQTKOVWLBNJRMZ-ZETCQYMHSA-N 0 0 300.336 0.360 50 0 DCAARN CC(C)(O)CCc1cccc(C(=O)N2CCO[C@H](C(N)=O)C2)c1 ZINC000072419607 191156860 /nfs/dbraw/zinc/15/68/60/191156860.db2.gz SQANBCQMCHYHSJ-AWEZNQCLSA-N 0 0 320.389 0.716 50 0 DCAARN O=C(CO)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072423804 191158304 /nfs/dbraw/zinc/15/83/04/191158304.db2.gz PWOIJLQTGHSQIT-QGZVFWFLSA-N 0 0 317.389 0.805 50 0 DCAARN CC[C@@]1(O)CCN(C(=O)c2ccc3oc(=O)n(C)c3c2)C[C@H]1O ZINC000072435804 191165605 /nfs/dbraw/zinc/16/56/05/191165605.db2.gz OSXXXYDAMBUMQP-CZUORRHYSA-N 0 0 320.345 0.479 50 0 DCAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)CCn1cnnn1 ZINC000072454333 191171482 /nfs/dbraw/zinc/17/14/82/191171482.db2.gz QHUYKSGMUPOYQF-UHFFFAOYSA-N 0 0 313.321 0.772 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccc(F)cc3)C(=O)[C@]2(C)NN1 ZINC000000547129 180818995 /nfs/dbraw/zinc/81/89/95/180818995.db2.gz JAEWCSWZEVATSH-YMTOWFKASA-N 0 0 305.265 0.206 50 0 DCAARN O=C(c1ncn2c1nnn(-c1ccccc1)c2=O)N1CCCC1 ZINC000001414456 180863710 /nfs/dbraw/zinc/86/37/10/180863710.db2.gz XJOZBQZJUUMHIF-UHFFFAOYSA-N 0 0 310.317 0.511 50 0 DCAARN CC(C)C[C@@H](NC(N)=O)C(=O)OCC(=O)Nc1ncccn1 ZINC000003295482 181001455 /nfs/dbraw/zinc/00/14/55/181001455.db2.gz QEJBMDCNKCLBKL-SECBINFHSA-N 0 0 309.326 0.041 50 0 DCAARN CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCOCC1)C2=O ZINC000003309900 181002832 /nfs/dbraw/zinc/00/28/32/181002832.db2.gz AZIOASATZMBMBG-UHFFFAOYSA-N 0 0 309.366 0.346 50 0 DCAARN COCCN(CCOC)C(=O)COC(=O)c1ccc(O)cc1 ZINC000003314664 181003698 /nfs/dbraw/zinc/00/36/98/181003698.db2.gz MJOATQGELJGCPH-UHFFFAOYSA-N 0 0 311.334 0.670 50 0 DCAARN O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)NCc1ccccc1 ZINC000003343892 181008955 /nfs/dbraw/zinc/00/89/55/181008955.db2.gz HWFUJODZTCLNCE-OAHLLOKOSA-N 0 0 319.386 0.730 50 0 DCAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c1 ZINC000003437799 181019734 /nfs/dbraw/zinc/01/97/34/181019734.db2.gz DELLTWIHSNSFOQ-UHFFFAOYSA-N 0 0 310.375 0.775 50 0 DCAARN CCOC(=O)CN1C(=O)C(=O)N(Cc2cccc(F)c2)C1=O ZINC000004060275 181068050 /nfs/dbraw/zinc/06/80/50/181068050.db2.gz CDSJZWGVUZAITO-UHFFFAOYSA-N 0 0 308.265 0.680 50 0 DCAARN CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000004124745 181076499 /nfs/dbraw/zinc/07/64/99/181076499.db2.gz CWKHMXLOOBRICA-IQNXINDISA-N 0 0 321.373 0.901 50 0 DCAARN COC(=O)c1nnn(-c2ccc(OC)cc2OC)c1C(=O)OC ZINC000004315923 181096593 /nfs/dbraw/zinc/09/65/93/181096593.db2.gz IVBNWWXIKVQNOT-UHFFFAOYSA-N 0 0 321.289 0.858 50 0 DCAARN CCOC(=O)c1c(C)nc(=O)[nH]c1S[C@H](C)C(=O)OC ZINC000004317556 181097171 /nfs/dbraw/zinc/09/71/71/181097171.db2.gz UYQVMGNHLBFJDA-SSDOTTSWSA-N 0 0 300.336 0.909 50 0 DCAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC(N)=O)C1=O ZINC000004308489 181096092 /nfs/dbraw/zinc/09/60/92/181096092.db2.gz OJYCBWVKHXMLIQ-CQSZACIVSA-N 0 0 322.296 0.178 50 0 DCAARN COCCCn1c(C)c(C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000004314109 181096305 /nfs/dbraw/zinc/09/63/05/181096305.db2.gz ULZWRAFQOGZBQI-UHFFFAOYSA-N 0 0 319.365 0.340 50 0 DCAARN CCOCCn1c(C)c(C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000004370668 181103279 /nfs/dbraw/zinc/10/32/79/181103279.db2.gz FFVPHISXUYEJHY-UHFFFAOYSA-N 0 0 319.365 0.340 50 0 DCAARN NC(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O ZINC000004479104 181113072 /nfs/dbraw/zinc/11/30/72/181113072.db2.gz PPFPEGKCWJLHQY-UHFFFAOYSA-N 0 0 303.709 0.721 50 0 DCAARN Cc1ccc(S(=O)(=O)N2C[C@H](C)N(S(C)(=O)=O)C2)cc1 ZINC000004503935 181116510 /nfs/dbraw/zinc/11/65/10/181116510.db2.gz OBFGXCTYNODBOY-NSHDSACASA-N 0 0 318.420 0.607 50 0 DCAARN Cc1n[nH]c(=S)n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O ZINC000004717558 181141582 /nfs/dbraw/zinc/14/15/82/181141582.db2.gz URPSZNUOUKZVTN-UHFFFAOYSA-N 0 0 320.330 0.977 50 0 DCAARN Cc1noc(C)c1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000004805324 181154035 /nfs/dbraw/zinc/15/40/35/181154035.db2.gz PUZDIPKBEZYSIU-GFCCVEGCSA-N 0 0 307.350 0.755 50 0 DCAARN COC(=O)CCNC(=O)[C@H](C(C)C)N1C[C@H](C)O[C@@H](C)C1 ZINC000065612496 291043754 /nfs/dbraw/zinc/04/37/54/291043754.db2.gz DAXIFEUULGYKDC-OBJOEFQTSA-N 0 0 300.399 0.800 50 0 DCAARN COC(=O)[C@H](C)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183746679 199638206 /nfs/dbraw/zinc/63/82/06/199638206.db2.gz VWRMVXOJBXCLBF-AAEUAGOBSA-N 0 0 318.439 0.874 50 0 DCAARN O=C(C[C@H]1OCCN(CCO)C1=O)Nc1ccc(Cl)cc1 ZINC000074941376 191392657 /nfs/dbraw/zinc/39/26/57/191392657.db2.gz YCWINASLPSEYTD-GFCCVEGCSA-N 0 0 312.753 0.888 50 0 DCAARN CCCS(=O)(=O)CC(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000075122600 191423456 /nfs/dbraw/zinc/42/34/56/191423456.db2.gz CCHRGXIOXVYAMJ-UHFFFAOYSA-N 0 0 300.380 0.433 50 0 DCAARN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)NC[C@@H]3CCCO3)CCO2)[nH]1 ZINC000076042572 191558757 /nfs/dbraw/zinc/55/87/57/191558757.db2.gz AWYMUUXWRJTBPJ-DRZSPHRISA-N 0 0 323.397 0.170 50 0 DCAARN Cn1ccnc1SCC(=O)N1CCC2(CNC(=O)C2)CC1 ZINC000077321913 191692396 /nfs/dbraw/zinc/69/23/96/191692396.db2.gz NILRDVOOVNQAFY-UHFFFAOYSA-N 0 0 308.407 0.641 50 0 DCAARN COc1ccc(C(=O)CCC(=O)N2CCOC[C@H](O)C2)cc1 ZINC000077340497 191696201 /nfs/dbraw/zinc/69/62/01/191696201.db2.gz UDWFRPBJRKLHMG-CYBMUJFWSA-N 0 0 307.346 0.878 50 0 DCAARN CCn1nnc2c1ncnc2Nc1ccc(S(N)(=O)=O)cc1 ZINC000005250565 181221755 /nfs/dbraw/zinc/22/17/55/181221755.db2.gz QHTCHUWCFIKIPH-UHFFFAOYSA-N 0 0 319.350 0.632 50 0 DCAARN Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)CCC2=O)cc1 ZINC000005870556 181291693 /nfs/dbraw/zinc/29/16/93/181291693.db2.gz ZSLYGLRAPHMUHQ-UHFFFAOYSA-N 0 0 317.345 0.541 50 0 DCAARN NC(=O)CN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C1CCCC1 ZINC000230194793 283286603 /nfs/dbraw/zinc/28/66/03/283286603.db2.gz SKTHJXBIQROTIS-HUUCEWRRSA-N 0 0 323.437 0.886 50 0 DCAARN CC[C@@]1(c2cnn(C)c2)NC(=O)N(Cc2ccnn2C)C1=O ZINC000180702270 199198887 /nfs/dbraw/zinc/19/88/87/199198887.db2.gz OREOSSKDPMXZQY-AWEZNQCLSA-N 0 0 302.338 0.511 50 0 DCAARN CN(CC1CC1)C(=O)CN1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000089340200 192770513 /nfs/dbraw/zinc/77/05/13/192770513.db2.gz HUENGYHBTHDJPM-OAHLLOKOSA-N 0 0 323.437 0.568 50 0 DCAARN Cn1cnnc1[C@@H]1CCCN(C(=O)NCCCn2cccn2)C1 ZINC000089761886 192860843 /nfs/dbraw/zinc/86/08/43/192860843.db2.gz UAQBNMIJZQMSPV-CYBMUJFWSA-N 0 0 317.397 0.991 50 0 DCAARN O=C(NC[C@H]1CCCO1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000089834805 192882678 /nfs/dbraw/zinc/88/26/78/192882678.db2.gz AINMJBHOHXMDNL-HUUCEWRRSA-N 0 0 318.373 0.709 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000089904347 192901847 /nfs/dbraw/zinc/90/18/47/192901847.db2.gz UTWSKGHKTOJRFQ-STQMWFEESA-N 0 0 317.397 0.989 50 0 DCAARN Cc1ccc(-n2nnnc2S[C@H](C)C(=O)NC(N)=O)c(C)c1 ZINC000006281941 181325649 /nfs/dbraw/zinc/32/56/49/181325649.db2.gz FUFDPSACGYRZKV-SECBINFHSA-N 0 0 320.378 0.955 50 0 DCAARN CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000006379440 181335921 /nfs/dbraw/zinc/33/59/21/181335921.db2.gz CYNFUEAKVBAIPM-LLVKDONJSA-N 0 0 312.391 0.842 50 0 DCAARN Cc1nnc2c(N3CCN(C(=O)[C@H]4CCOC4)CC3)nccn12 ZINC000245171666 202511930 /nfs/dbraw/zinc/51/19/30/202511930.db2.gz XOWCVFJDQGDHQC-LBPRGKRZSA-N 0 0 316.365 0.118 50 0 DCAARN Cc1nn(C)cc1S(=O)(=O)NCCn1cc(Cl)cn1 ZINC000006527389 181350089 /nfs/dbraw/zinc/35/00/89/181350089.db2.gz FLJVPTDBXQEZJG-UHFFFAOYSA-N 0 0 303.775 0.557 50 0 DCAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2cnnn2)c1 ZINC000006553165 181354452 /nfs/dbraw/zinc/35/44/52/181354452.db2.gz YWNGHCFTPWSXKW-UHFFFAOYSA-N 0 0 315.742 0.369 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3cccc(C)c3)C(=O)[C@@]2(C)NN1 ZINC000004524764 283745839 /nfs/dbraw/zinc/74/58/39/283745839.db2.gz KEOWIIDSPGGARJ-BONVTDFDSA-N 0 0 301.302 0.375 50 0 DCAARN Cn1cc(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)nn1 ZINC000206704996 201429047 /nfs/dbraw/zinc/42/90/47/201429047.db2.gz MLWMLDWPJWWRMS-GFCCVEGCSA-N 0 0 314.267 0.995 50 0 DCAARN CS(=O)(=O)N(CC(=O)NC1CC1)Cc1ccc(F)cc1 ZINC000006701412 181373707 /nfs/dbraw/zinc/37/37/07/181373707.db2.gz WCSUMBBJJUQYSH-UHFFFAOYSA-N 0 0 300.355 0.866 50 0 DCAARN CCn1cc(C2=NO[C@@H](C(=O)NC[C@H]3CCCO3)C2)c(C)n1 ZINC000006804902 181392075 /nfs/dbraw/zinc/39/20/75/181392075.db2.gz HEOVTMGUVIZSNV-BXUZGUMPSA-N 0 0 306.366 1.000 50 0 DCAARN Cc1cc(=O)n2nc(N(C)CC(=O)NC3CCCC3)sc2n1 ZINC000006807279 181392546 /nfs/dbraw/zinc/39/25/46/181392546.db2.gz VNYMXSKONSDOCI-UHFFFAOYSA-N 0 0 321.406 0.954 50 0 DCAARN COCCNS(=O)(=O)c1ccc(OCC(=O)OC)c(C)c1 ZINC000006826082 181395518 /nfs/dbraw/zinc/39/55/18/181395518.db2.gz OJEYWOWRVIUJLE-UHFFFAOYSA-N 0 0 317.363 0.472 50 0 DCAARN CN(C[C@@H](O)CO)C(=O)c1coc(COc2cccc(F)c2)n1 ZINC000091526714 193069817 /nfs/dbraw/zinc/06/98/17/193069817.db2.gz NSHYYPONRZWHJJ-LLVKDONJSA-N 0 0 324.308 0.818 50 0 DCAARN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)CCc1[nH]c(O)nc1O ZINC000091468822 193060257 /nfs/dbraw/zinc/06/02/57/193060257.db2.gz NVZNUHFJNPVOEU-SNVBAGLBSA-N 0 0 321.381 0.654 50 0 DCAARN CC(C)CC(=O)N1CCn2nc(CCC(=O)NCCO)cc2C1 ZINC000091475500 193061343 /nfs/dbraw/zinc/06/13/43/193061343.db2.gz GGVWHWRDFUDOAX-UHFFFAOYSA-N 0 0 322.409 0.313 50 0 DCAARN CCc1c(C)nn(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)c1C ZINC000091754822 193102422 /nfs/dbraw/zinc/10/24/22/193102422.db2.gz GJVWBUDPHKINET-LBPRGKRZSA-N 0 0 321.381 0.167 50 0 DCAARN COc1cccc([C@H]2CCN2C(=O)CN2C(=O)CNC2=O)c1 ZINC000091779272 193106087 /nfs/dbraw/zinc/10/60/87/193106087.db2.gz JGVXSAKMBNFJKP-GFCCVEGCSA-N 0 0 303.318 0.520 50 0 DCAARN COCC[C@]1(CO)CCCN(C(=O)CCc2nnc(C)[nH]2)C1 ZINC000091847772 193116719 /nfs/dbraw/zinc/11/67/19/193116719.db2.gz SXKWPRFUWQMNRF-OAHLLOKOSA-N 0 0 310.398 0.683 50 0 DCAARN COCc1noc(CCNC(=O)c2cc(C)c(C)[nH]c2=O)n1 ZINC000091973704 193133431 /nfs/dbraw/zinc/13/34/31/193133431.db2.gz OMZZDLVUDAVWLI-UHFFFAOYSA-N 0 0 306.322 0.494 50 0 DCAARN COCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 ZINC000092027955 193143592 /nfs/dbraw/zinc/14/35/92/193143592.db2.gz JNFDWCGDNCHNAJ-QWHCGFSZSA-N 0 0 303.362 0.791 50 0 DCAARN Nc1cnn(CC(=O)NCC[C@@H]2COc3ccccc3O2)c1 ZINC000216155572 201482606 /nfs/dbraw/zinc/48/26/06/201482606.db2.gz SUJPEWYTJXFBLH-GFCCVEGCSA-N 0 0 302.334 0.812 50 0 DCAARN O=C(NCCCn1ccnn1)C1CCN(C(=O)C2CCC2)CC1 ZINC000092097456 193156743 /nfs/dbraw/zinc/15/67/43/193156743.db2.gz DVECMIUDJAYWOO-UHFFFAOYSA-N 0 0 319.409 0.823 50 0 DCAARN Cc1ccc2c(c1)c(=O)c(C(=O)NCc1nc(N)n[nH]1)cn2C ZINC000222520408 201612661 /nfs/dbraw/zinc/61/26/61/201612661.db2.gz RQNIVQNNDVJXOY-UHFFFAOYSA-N 0 0 312.333 0.477 50 0 DCAARN C[C@@H](NC(=O)CN1CCOC1=O)c1ccc(-n2cncn2)cc1 ZINC000222419138 201609040 /nfs/dbraw/zinc/60/90/40/201609040.db2.gz HOUZQMQMNYNPCB-LLVKDONJSA-N 0 0 315.333 0.897 50 0 DCAARN Cc1nonc1CC(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 ZINC000223629153 201651075 /nfs/dbraw/zinc/65/10/75/201651075.db2.gz JLISQGSBGBDFFX-DGCLKSJQSA-N 0 0 318.333 0.668 50 0 DCAARN O=S(=O)(N[C@@H]1COCC[C@H]1OCc1ccccn1)C1CC1 ZINC000223647745 201651984 /nfs/dbraw/zinc/65/19/84/201651984.db2.gz JKGIYVXVMVQKBJ-ZIAGYGMSSA-N 0 0 312.391 0.838 50 0 DCAARN Cc1csc(NC(=O)[C@H](C)N2Cc3cnn(CCO)c3C2)n1 ZINC000252495497 202850183 /nfs/dbraw/zinc/85/01/83/202850183.db2.gz ORVKOBOIIFPGMN-JTQLQIEISA-N 0 0 321.406 0.983 50 0 DCAARN CC[C@@H](NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)c1ncnn1CC ZINC000253536774 202898945 /nfs/dbraw/zinc/89/89/45/202898945.db2.gz OBFJARSMIPSMHB-SNVBAGLBSA-N 0 0 320.353 0.618 50 0 DCAARN Cn1nnnc1SCCS(=O)(=O)Oc1ccccc1 ZINC000007445407 181467162 /nfs/dbraw/zinc/46/71/62/181467162.db2.gz BESSAYSUQLIBOU-UHFFFAOYSA-N 0 0 300.365 0.711 50 0 DCAARN CCN(C(=O)CN1C(=O)NC2(CCSCC2)C1=O)C1CC1 ZINC000069589258 284149942 /nfs/dbraw/zinc/14/99/42/284149942.db2.gz KDHJNKNNCJTWPH-UHFFFAOYSA-N 0 0 311.407 0.815 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N(C)C1(C(N)=O)CCCC1 ZINC000095976324 193470983 /nfs/dbraw/zinc/47/09/83/193470983.db2.gz OZQQUGQQWQEJBV-UHFFFAOYSA-N 0 0 301.368 0.710 50 0 DCAARN COC(=O)N1CCC(CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000096120373 193545484 /nfs/dbraw/zinc/54/54/84/193545484.db2.gz JGLPWQZAIRFVBZ-UHFFFAOYSA-N 0 0 316.383 0.177 50 0 DCAARN NC(=O)[C@@H]1CCCN(C(=O)CN2CCc3ccc(F)cc32)C1 ZINC000096414840 193627344 /nfs/dbraw/zinc/62/73/44/193627344.db2.gz XTJANRKUIAPYOT-GFCCVEGCSA-N 0 0 305.353 0.912 50 0 DCAARN CCc1nc(CN2CCN(C(=O)Cn3cccn3)CC2)no1 ZINC000264735916 204113581 /nfs/dbraw/zinc/11/35/81/204113581.db2.gz IXFIPOVTCWOSTF-UHFFFAOYSA-N 0 0 304.354 0.173 50 0 DCAARN Cc1nc(CN2CCN(C(=O)COc3cccnc3)CC2)no1 ZINC000264718099 204100193 /nfs/dbraw/zinc/10/01/93/204100193.db2.gz BMCHEGDCMFZNBK-UHFFFAOYSA-N 0 0 317.349 0.496 50 0 DCAARN O=C(Nc1ccccc1C(=O)NC1CC1)C1=NNC(=O)CC1 ZINC000008343979 181550961 /nfs/dbraw/zinc/55/09/61/181550961.db2.gz SVHQVUTXVONRJW-UHFFFAOYSA-N 0 0 300.318 0.783 50 0 DCAARN CNC(=O)c1cccc(NC(=O)CCC(=O)N2CCOCC2)c1 ZINC000008704014 181574563 /nfs/dbraw/zinc/57/45/63/181574563.db2.gz FUCACFWCSWHQKP-UHFFFAOYSA-N 0 0 319.361 0.624 50 0 DCAARN CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@H]1CCCO1)C2=O ZINC000009867330 181644270 /nfs/dbraw/zinc/64/42/70/181644270.db2.gz XPHWCNXRPGDZLY-BGMSHATGSA-N 0 0 323.393 0.782 50 0 DCAARN COc1ccc(S(=O)(=O)NCCn2ncccc2=O)cc1C ZINC000011856344 181711937 /nfs/dbraw/zinc/71/19/37/181711937.db2.gz ODJUUCXGDGXGQP-UHFFFAOYSA-N 0 0 323.374 0.539 50 0 DCAARN O=C(c1cccc(N2C(=O)CCS2(=O)=O)c1)N1CCCC1 ZINC000011996822 181723501 /nfs/dbraw/zinc/72/35/01/181723501.db2.gz FRIXJRXVZCHPAZ-UHFFFAOYSA-N 0 0 308.359 0.989 50 0 DCAARN CC(C)(C)CN1C[C@H](NS(=O)(=O)N2CCCC2)CC1=O ZINC000012571456 181778378 /nfs/dbraw/zinc/77/83/78/181778378.db2.gz GRDZPFSCHYQXIJ-LLVKDONJSA-N 0 0 303.428 0.564 50 0 DCAARN C[C@H](OC(=O)CCNC(=O)c1ccco1)C(=O)N1CCOCC1 ZINC000012877114 181806239 /nfs/dbraw/zinc/80/62/39/181806239.db2.gz XVVYDZUVZQQXMP-NSHDSACASA-N 0 0 324.333 0.190 50 0 DCAARN CNC(=O)C1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1 ZINC000012852368 181803544 /nfs/dbraw/zinc/80/35/44/181803544.db2.gz RONYHXBEDOODOF-UHFFFAOYSA-N 0 0 307.394 0.721 50 0 DCAARN Cc1ccnc2nc(C(=O)Nc3cccc(-n4cnnn4)c3)nn21 ZINC000013018872 181823848 /nfs/dbraw/zinc/82/38/48/181823848.db2.gz XHZKOFCOICBDNX-UHFFFAOYSA-N 0 0 321.304 0.661 50 0 DCAARN COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)n3ncnc3N2)c1 ZINC000013124611 181830632 /nfs/dbraw/zinc/83/06/32/181830632.db2.gz JRLXFBNZRDUMBO-SNVBAGLBSA-N 0 0 317.305 0.758 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)NCC(C)C ZINC000014094430 181924901 /nfs/dbraw/zinc/92/49/01/181924901.db2.gz UZBYYYPGCCDGSV-UHFFFAOYSA-N 0 0 303.384 0.684 50 0 DCAARN C[C@@H](Sc1nncs1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000014139867 181929515 /nfs/dbraw/zinc/92/95/15/181929515.db2.gz DYZHQVAGMMBXQK-HTQZYQBOSA-N 0 0 321.449 0.664 50 0 DCAARN Cc1cccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](C)C(=O)N3C2)c1 ZINC000014538887 181956430 /nfs/dbraw/zinc/95/64/30/181956430.db2.gz HQOCYRCPCIDHII-DRZSPHRISA-N 0 0 301.346 0.213 50 0 DCAARN CN1CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2C1=O ZINC000014540992 181956455 /nfs/dbraw/zinc/95/64/55/181956455.db2.gz UUOHTRYIEAJJSR-GFCCVEGCSA-N 0 0 321.764 0.465 50 0 DCAARN c1ccc2c(c1)c1nnnn1nc2NCCCN1CCOCC1 ZINC000015730266 182014097 /nfs/dbraw/zinc/01/40/97/182014097.db2.gz XDCFCHKCANHZIL-UHFFFAOYSA-N 0 0 313.365 0.807 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H](C(=O)NCCCn2ccnc2)C1 ZINC000016248494 182038488 /nfs/dbraw/zinc/03/84/88/182038488.db2.gz POTIUCBMJIPWDJ-GFCCVEGCSA-N 0 0 314.411 0.061 50 0 DCAARN CCN(CC)c1nc(N(C)C)nc(N(C#N)CC(=O)OC)n1 ZINC000016576574 182049616 /nfs/dbraw/zinc/04/96/16/182049616.db2.gz FGGSTDUKOCMIBL-UHFFFAOYSA-N 0 0 307.358 0.244 50 0 DCAARN CSc1ccc(S(N)(=O)=O)cc1C(=O)N1CCOCC1 ZINC000016624520 182054116 /nfs/dbraw/zinc/05/41/16/182054116.db2.gz SRMWRIMQGNYHJN-UHFFFAOYSA-N 0 0 316.404 0.528 50 0 DCAARN Cc1csc2ncc(C(=O)NCCN3CCOCC3)c(=O)n12 ZINC000016649101 182055858 /nfs/dbraw/zinc/05/58/58/182055858.db2.gz AVAMAWAGGGPQJW-UHFFFAOYSA-N 0 0 322.390 0.126 50 0 DCAARN COc1ccccc1CNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000016960928 182066334 /nfs/dbraw/zinc/06/63/34/182066334.db2.gz BVBNRKCPMBGLIY-LBPRGKRZSA-N 0 0 312.391 0.735 50 0 DCAARN O=C1C[C@@H](SCCO)C(=O)N1c1ccc2c(c1)OCCO2 ZINC000018222303 182099309 /nfs/dbraw/zinc/09/93/09/182099309.db2.gz YEDDZULUMIMGKN-GFCCVEGCSA-N 0 0 309.343 0.815 50 0 DCAARN CCCCCCN1C(=O)C[C@@H](SC[C@@H]([NH3+])C(=O)[O-])C1=O ZINC000019152751 182105853 /nfs/dbraw/zinc/10/58/53/182105853.db2.gz VENBUKGMIBBKTQ-NXEZZACHSA-N 0 0 302.396 0.839 50 0 DCAARN Cc1cc(C)c(S(=O)(=O)N2CCN(CCO)CC2)c(C)c1 ZINC000019798876 182151626 /nfs/dbraw/zinc/15/16/26/182151626.db2.gz WQDXSPXPVSPLCB-UHFFFAOYSA-N 0 0 312.435 0.910 50 0 DCAARN O=S(=O)(NCCCN1CCOCC1)c1ccc(F)cc1 ZINC000019807815 182152774 /nfs/dbraw/zinc/15/27/74/182152774.db2.gz UVVURTZXLXRGBZ-UHFFFAOYSA-N 0 0 302.371 0.826 50 0 DCAARN CCCC[C@@H](CC)CNC(=O)C(=O)NCCN1CCOCC1 ZINC000019831163 182153931 /nfs/dbraw/zinc/15/39/31/182153931.db2.gz XKWGDOSAIFPZRG-CQSZACIVSA-N 0 0 313.442 0.767 50 0 DCAARN NC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000019855261 182157590 /nfs/dbraw/zinc/15/75/90/182157590.db2.gz MLZJDHFHGJFLBQ-AAEUAGOBSA-N 0 0 301.346 0.516 50 0 DCAARN CCN1CCN(C(=O)CCCC(=O)N2CCN(CC)CC2)CC1 ZINC000020166463 182194229 /nfs/dbraw/zinc/19/42/29/182194229.db2.gz UNNIQEBVYASMRX-UHFFFAOYSA-N 0 0 324.469 0.485 50 0 DCAARN COc1cccc(CN2CNc3c(c(=O)n(C)c(=O)n3C)C2)c1 ZINC000020320110 182206469 /nfs/dbraw/zinc/20/64/69/182206469.db2.gz JKZKIQVYATXPHB-UHFFFAOYSA-N 0 0 316.361 0.478 50 0 DCAARN O=C1N[C@@H](Cc2ccccc2)C(=O)N1CCN1CCOCC1 ZINC000020517490 182226669 /nfs/dbraw/zinc/22/66/69/182226669.db2.gz LFGSCEHQMJXJHM-AWEZNQCLSA-N 0 0 303.362 0.482 50 0 DCAARN CC(=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000020745381 182245834 /nfs/dbraw/zinc/24/58/34/182245834.db2.gz HRFYUUTUFQEKGE-NSHDSACASA-N 0 0 323.780 0.945 50 0 DCAARN Cn1ncnc1CCNC(=O)CN1CCOc2ccccc2C1 ZINC000020863553 182250284 /nfs/dbraw/zinc/25/02/84/182250284.db2.gz FEXJKFCRQQDGRB-UHFFFAOYSA-N 0 0 315.377 0.368 50 0 DCAARN CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2N2CCCC2)CC1 ZINC000021158155 182267103 /nfs/dbraw/zinc/26/71/03/182267103.db2.gz DVRBFWLVISZNTN-UHFFFAOYSA-N 0 0 321.377 0.916 50 0 DCAARN Cc1cccc(OCCNC(=O)CN2CCN(CCO)CC2)c1 ZINC000022943460 182343581 /nfs/dbraw/zinc/34/35/81/182343581.db2.gz MWXSJVZTQMGFPT-UHFFFAOYSA-N 0 0 321.421 0.100 50 0 DCAARN CC(=O)NCCNC(=O)COc1cccc(N2CCCC2=O)c1 ZINC000022758756 182333381 /nfs/dbraw/zinc/33/33/81/182333381.db2.gz VGHRHCCQZHUUOT-UHFFFAOYSA-N 0 0 319.361 0.445 50 0 DCAARN O=C(CN1CCN(CCO)CC1)N1CCc2sccc2C1 ZINC000022816297 182335767 /nfs/dbraw/zinc/33/57/67/182335767.db2.gz WSGIKFPZNPROET-UHFFFAOYSA-N 0 0 309.435 0.243 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccccc1C(N)=O ZINC000023141994 182350934 /nfs/dbraw/zinc/35/09/34/182350934.db2.gz QWWAUWGQCXUEPB-UHFFFAOYSA-N 0 0 316.317 0.042 50 0 DCAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CN1CCCC1=O ZINC000023183891 182352685 /nfs/dbraw/zinc/35/26/85/182352685.db2.gz NSHNZODXHVTSRQ-LBPRGKRZSA-N 0 0 304.346 0.907 50 0 DCAARN O=C(CCn1cncn1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000023395163 182359753 /nfs/dbraw/zinc/35/97/53/182359753.db2.gz DFJHAEHTVBUFJD-UHFFFAOYSA-N 0 0 313.361 0.653 50 0 DCAARN COc1ccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)cn1 ZINC000024779595 182390882 /nfs/dbraw/zinc/39/08/82/182390882.db2.gz ZXTOCHNPUYTEMB-UHFFFAOYSA-N 0 0 313.379 0.198 50 0 DCAARN O=C(COc1ccc(F)cc1F)N[C@@H]1CCS(=O)(=O)C1 ZINC000024801395 182391837 /nfs/dbraw/zinc/39/18/37/182391837.db2.gz ZLPLNBWCVXOQPP-SECBINFHSA-N 0 0 305.302 0.647 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1 ZINC000024433526 182380731 /nfs/dbraw/zinc/38/07/31/182380731.db2.gz QJDDJDBEOGCBBU-GFCCVEGCSA-N 0 0 312.391 0.894 50 0 DCAARN Cc1cc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)on1 ZINC000024681367 182386586 /nfs/dbraw/zinc/38/65/86/182386586.db2.gz SSQVTSRLNADCAY-JTQLQIEISA-N 0 0 301.368 0.527 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc2cn[nH]c21 ZINC000025028625 182399787 /nfs/dbraw/zinc/39/97/87/182399787.db2.gz BRAMXPUDMUUUME-LLVKDONJSA-N 0 0 316.317 0.067 50 0 DCAARN O=C1NC(=O)C2(CCN(S(=O)(=O)Cc3ccccc3)CC2)N1 ZINC000026814130 182454344 /nfs/dbraw/zinc/45/43/44/182454344.db2.gz DUOGCBCUNZSKRR-UHFFFAOYSA-N 0 0 323.374 0.190 50 0 DCAARN CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC)cc2)CCO1 ZINC000030762953 182597181 /nfs/dbraw/zinc/59/71/81/182597181.db2.gz ZGMJGZXAVBUFKU-GFCCVEGCSA-N 0 0 312.391 0.846 50 0 DCAARN Cc1c2ncn(CC(=O)NCc3ccco3)c(=O)c2nn1C ZINC000032647319 182652667 /nfs/dbraw/zinc/65/26/67/182652667.db2.gz LYWGEMIVYRNKKX-UHFFFAOYSA-N 0 0 301.306 0.348 50 0 DCAARN C[C@H](OCc1ccccc1)C(=O)NCCNS(C)(=O)=O ZINC000032966144 182685399 /nfs/dbraw/zinc/68/53/99/182685399.db2.gz JQDCIRPBPWEANP-NSHDSACASA-N 0 0 300.380 0.257 50 0 DCAARN COc1ccc(C(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1OC ZINC000034925681 182744479 /nfs/dbraw/zinc/74/44/79/182744479.db2.gz LQQBWJFXZYQBQM-UHFFFAOYSA-N 0 0 318.329 0.641 50 0 DCAARN CCNC(=O)c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)no1 ZINC000035512967 182778804 /nfs/dbraw/zinc/77/88/04/182778804.db2.gz NFBORCLVHDUMFH-UHFFFAOYSA-N 0 0 324.362 0.737 50 0 DCAARN NC(=O)C1CCN(C(=O)COc2ccc3c(c2)C(=O)CC3)CC1 ZINC000038488336 182999768 /nfs/dbraw/zinc/99/97/68/182999768.db2.gz YFKPWCOOXZNDTN-UHFFFAOYSA-N 0 0 316.357 0.918 50 0 DCAARN Cc1cc(C)n(CCNC(=O)C(=O)NCCc2ccccc2)n1 ZINC000038717583 183007281 /nfs/dbraw/zinc/00/72/81/183007281.db2.gz PFQGKCZIOOVVPA-UHFFFAOYSA-N 0 0 314.389 0.975 50 0 DCAARN CC(=O)N1CCc2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)ccc21 ZINC000040475505 183074471 /nfs/dbraw/zinc/07/44/71/183074471.db2.gz XJXPJBYHQRLVEW-ZDUSSCGKSA-N 0 0 322.386 0.513 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2nc(-c3cccs3)oc2=O)CCO1 ZINC000040477937 183076151 /nfs/dbraw/zinc/07/61/51/183076151.db2.gz PGXNJTYQHNATBZ-SECBINFHSA-N 0 0 309.347 0.812 50 0 DCAARN O=C(NCCCN1CCOCC1)c1cnc2ccccn2c1=O ZINC000040488833 183079242 /nfs/dbraw/zinc/07/92/42/183079242.db2.gz GBNTUUWOEQGHMU-UHFFFAOYSA-N 0 0 316.361 0.147 50 0 DCAARN CNC(=O)NC(=O)CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000040489083 183079339 /nfs/dbraw/zinc/07/93/39/183079339.db2.gz WBRLPMFKWCOWLD-OAHLLOKOSA-N 0 0 305.378 0.888 50 0 DCAARN O=C(c1cccs1)N1CCC[C@H](C(=O)N2CCNC(=O)C2)C1 ZINC000040496205 183081209 /nfs/dbraw/zinc/08/12/09/183081209.db2.gz AOWAEPUFQMTVBJ-NSHDSACASA-N 0 0 321.402 0.559 50 0 DCAARN CS(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccccn2)C1 ZINC000040496330 183081276 /nfs/dbraw/zinc/08/12/76/183081276.db2.gz FYFJTUQHVJAJSH-LBPRGKRZSA-N 0 0 311.407 0.412 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)NCCCn2cccn2)C[C@H](C)O1 ZINC000040504540 183084095 /nfs/dbraw/zinc/08/40/95/183084095.db2.gz BCDGYVTYYTWZGJ-TXEJJXNPSA-N 0 0 302.400 0.217 50 0 DCAARN Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2CCCO2)cc1C(N)=O ZINC000040511353 183087393 /nfs/dbraw/zinc/08/73/93/183087393.db2.gz WWHYOIVYPJRCLO-GXFFZTMASA-N 0 0 312.391 0.940 50 0 DCAARN O=C(NCCCn1cccn1)c1cnc2n(c1=O)CCS2 ZINC000040512887 183088164 /nfs/dbraw/zinc/08/81/64/183088164.db2.gz GDALJJSNROTUJR-UHFFFAOYSA-N 0 0 305.363 0.366 50 0 DCAARN COc1ccccc1CN(C)CC(=O)N[C@@H]1CCCCNC1=O ZINC000040513624 183088215 /nfs/dbraw/zinc/08/82/15/183088215.db2.gz HBAOFKVNYYLEPY-CQSZACIVSA-N 0 0 319.405 0.912 50 0 DCAARN O=C(N[C@@H]1CCCCNC1=O)c1ccc(Cn2cncn2)cc1 ZINC000040521832 183091015 /nfs/dbraw/zinc/09/10/15/183091015.db2.gz RBSQTPHDXSMQOF-CQSZACIVSA-N 0 0 313.361 0.725 50 0 DCAARN NC(=O)CCCNC(=O)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000040523706 183091587 /nfs/dbraw/zinc/09/15/87/183091587.db2.gz CCLQMVDDGKEJFK-UHFFFAOYSA-N 0 0 307.741 0.916 50 0 DCAARN O=S(=O)(NCCCn1cncn1)c1ccc2c(c1)CCO2 ZINC000040527705 183093183 /nfs/dbraw/zinc/09/31/83/183093183.db2.gz BPRZFRQBSKKZGB-UHFFFAOYSA-N 0 0 308.363 0.582 50 0 DCAARN CCN(CC)S(=O)(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000040527206 183093434 /nfs/dbraw/zinc/09/34/34/183093434.db2.gz YFEKMGHIAJVCIJ-LLVKDONJSA-N 0 0 301.416 0.581 50 0 DCAARN COc1ccc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1OC ZINC000041248141 183181435 /nfs/dbraw/zinc/18/14/35/183181435.db2.gz OEFKLOWKKILERS-NSHDSACASA-N 0 0 322.361 0.681 50 0 DCAARN COc1cccc(CO[C@H](C)C(=O)N2CC[C@H](C(N)=O)C2)c1 ZINC000041126289 183168750 /nfs/dbraw/zinc/16/87/50/183168750.db2.gz ZGBCNWCHLIRICT-YPMHNXCESA-N 0 0 306.362 0.934 50 0 DCAARN CC(=O)N1CCC(C(=O)NCc2nnc3n2CCCCC3)CC1 ZINC000041820854 183221263 /nfs/dbraw/zinc/22/12/63/183221263.db2.gz BYVUHKXBJDBDMA-UHFFFAOYSA-N 0 0 319.409 0.879 50 0 DCAARN Cc1cc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)n(C)n1 ZINC000041830076 183221918 /nfs/dbraw/zinc/22/19/18/183221918.db2.gz STZAECMALPPEQK-SNVBAGLBSA-N 0 0 300.384 0.481 50 0 DCAARN Cc1cc(CN(C)C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)no1 ZINC000042402453 183264693 /nfs/dbraw/zinc/26/46/93/183264693.db2.gz FXTZOKBTZOXLSP-NSHDSACASA-N 0 0 315.395 0.613 50 0 DCAARN Cn1ccc(C(=O)NCc2nncn2-c2ccccc2)cc1=O ZINC000042496630 183277127 /nfs/dbraw/zinc/27/71/27/183277127.db2.gz BUDXAEDRMGFPQH-UHFFFAOYSA-N 0 0 309.329 0.896 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CC(F)(F)F ZINC000042723757 183302191 /nfs/dbraw/zinc/30/21/91/183302191.db2.gz RGITVKBJXZMBQU-MRVPVSSYSA-N 0 0 302.318 0.869 50 0 DCAARN NC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000043122444 183338898 /nfs/dbraw/zinc/33/88/98/183338898.db2.gz RWSMDMLYBVGDIQ-LSDHHAIUSA-N 0 0 319.380 0.995 50 0 DCAARN CC(=O)N[C@H](C(=O)NCc1nnc2n1CCC2)C1CCCC1 ZINC000043793026 183386376 /nfs/dbraw/zinc/38/63/76/183386376.db2.gz UZRRXRVUXYCGAD-AWEZNQCLSA-N 0 0 305.382 0.535 50 0 DCAARN CC[C@@H](C)c1ccccc1OCC(=O)NC(C(N)=O)C(N)=O ZINC000044020444 183392894 /nfs/dbraw/zinc/39/28/94/183392894.db2.gz BACSUVMHARMGAG-SECBINFHSA-N 0 0 307.350 0.034 50 0 DCAARN CS(=O)(=O)NCCNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000044387796 183407478 /nfs/dbraw/zinc/40/74/78/183407478.db2.gz IDVMYMVZDHGCST-UHFFFAOYSA-N 0 0 300.355 0.523 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)[C@@H]1COc2ccccc2C1 ZINC000044908002 183453996 /nfs/dbraw/zinc/45/39/96/183453996.db2.gz ZHELTMDUAVAICM-YPMHNXCESA-N 0 0 309.387 0.789 50 0 DCAARN CN(C(=O)[C@@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 ZINC000044873143 183444987 /nfs/dbraw/zinc/44/49/87/183444987.db2.gz YQMVGHOJJLONAV-MFKMUULPSA-N 0 0 311.359 0.472 50 0 DCAARN CNC(=O)CN(C)C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000044870678 183445473 /nfs/dbraw/zinc/44/54/73/183445473.db2.gz PNLMKYGRCPKAAY-UHFFFAOYSA-N 0 0 302.334 0.874 50 0 DCAARN CC(C)N(CCCNC(=O)[C@@H](C)n1cncn1)S(C)(=O)=O ZINC000047044884 183579808 /nfs/dbraw/zinc/57/98/08/183579808.db2.gz TZNGENYTATUKHE-LLVKDONJSA-N 0 0 317.415 0.015 50 0 DCAARN O=C(NC[C@@H]1Cc2ccccc2O1)N[C@@H]1CCS(=O)(=O)C1 ZINC000047594978 183596319 /nfs/dbraw/zinc/59/63/19/183596319.db2.gz OPGXQRKGEGHZBQ-NEPJUHHUSA-N 0 0 310.375 0.476 50 0 DCAARN C[C@H](CNC(=O)CN1CCSC1=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000106056172 194182693 /nfs/dbraw/zinc/18/26/93/194182693.db2.gz XESXOAPBEKMULF-IJLUTSLNSA-N 0 0 315.439 0.769 50 0 DCAARN CN(Cc1nccn1C)c1nccc(N2CCC[C@@H](O)C2)n1 ZINC000106272277 194194171 /nfs/dbraw/zinc/19/41/71/194194171.db2.gz GGQPIBUIDBKLLR-GFCCVEGCSA-N 0 0 302.382 0.808 50 0 DCAARN CC(=O)N[C@H](C(=O)N1CCN(Cc2cc(C)no2)CC1)C(C)C ZINC000048263486 183634546 /nfs/dbraw/zinc/63/45/46/183634546.db2.gz KKKQAGZKYPIGCP-HNNXBMFYSA-N 0 0 322.409 0.788 50 0 DCAARN O=C(c1ccccn1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000048333373 183646459 /nfs/dbraw/zinc/64/64/59/183646459.db2.gz NTDSWMPRLBTYIF-CYBMUJFWSA-N 0 0 303.362 0.793 50 0 DCAARN CCS(=O)(=O)CC(=O)NCCN1CCc2ccccc2C1 ZINC000053028117 183884069 /nfs/dbraw/zinc/88/40/69/183884069.db2.gz BOGCMJYWXRNJOE-UHFFFAOYSA-N 0 0 310.419 0.596 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1 ZINC000053894540 183915696 /nfs/dbraw/zinc/91/56/96/183915696.db2.gz PECMXNPWQPYQQE-JTQLQIEISA-N 0 0 302.309 0.959 50 0 DCAARN CCOC(=O)N[C@H]1CCCN(C(=O)CCN2CCOC2=O)C1 ZINC000055280785 183976521 /nfs/dbraw/zinc/97/65/21/183976521.db2.gz SZRCABIDVOLUTD-NSHDSACASA-N 0 0 313.354 0.566 50 0 DCAARN CN1c2ccc(S(=O)(=O)NCCCO)cc2C(C)(C)C1=O ZINC000057280264 184031611 /nfs/dbraw/zinc/03/16/11/184031611.db2.gz RTOKNDAAROEJAT-UHFFFAOYSA-N 0 0 312.391 0.601 50 0 DCAARN CN(C)C(=O)COc1cc(C(=O)N2CCSCC2)nn1C ZINC000057312711 184033012 /nfs/dbraw/zinc/03/30/12/184033012.db2.gz QYFDDLIVSYUNMB-UHFFFAOYSA-N 0 0 312.395 0.076 50 0 DCAARN Cc1cnn(CC(=O)N2CCN(Cc3cscn3)CC2)c1 ZINC000056987767 184023471 /nfs/dbraw/zinc/02/34/71/184023471.db2.gz YYBBRXQWRZEFMX-UHFFFAOYSA-N 0 0 305.407 0.992 50 0 DCAARN COCCN(CCOC)S(=O)(=O)NCc1cccnc1 ZINC000058007593 184066537 /nfs/dbraw/zinc/06/65/37/184066537.db2.gz ULEOERIFJXTTPW-UHFFFAOYSA-N 0 0 303.384 0.011 50 0 DCAARN C[C@H]1Cc2ccccc2N1C(=O)CN[C@@H]1C=CS(=O)(=O)C1 ZINC000058163977 184083313 /nfs/dbraw/zinc/08/33/13/184083313.db2.gz SZUWOVFFWVTLJS-WCQYABFASA-N 0 0 306.387 0.865 50 0 DCAARN NC(=O)[C@H]1CCCN(CN2C(=O)NC3(CCCCCC3)C2=O)C1 ZINC000058169424 184083653 /nfs/dbraw/zinc/08/36/53/184083653.db2.gz FGALAXFDNLVKKG-LBPRGKRZSA-N 0 0 322.409 0.786 50 0 DCAARN CC(C)(C)OC(=O)NC[C@H]1CCCCN1CC(=O)NC(N)=O ZINC000058191598 184086116 /nfs/dbraw/zinc/08/61/16/184086116.db2.gz SBYQWXAUSKUDJL-SNVBAGLBSA-N 0 0 314.386 0.561 50 0 DCAARN Cc1cccc(CCNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000058202008 184087785 /nfs/dbraw/zinc/08/77/85/184087785.db2.gz YSMJQZQGECLJSU-UHFFFAOYSA-N 0 0 315.373 0.972 50 0 DCAARN O=C(NCCN1CCCS1(=O)=O)c1cc(Cl)ccc1O ZINC000058213793 184089251 /nfs/dbraw/zinc/08/92/51/184089251.db2.gz DFKLVTKBXSRPND-UHFFFAOYSA-N 0 0 318.782 0.811 50 0 DCAARN CCCn1nnnc1CN1CCC(c2ccnn2CCO)CC1 ZINC000058355040 184107895 /nfs/dbraw/zinc/10/78/95/184107895.db2.gz XLUIMDIFIRSTMT-UHFFFAOYSA-N 0 0 319.413 0.652 50 0 DCAARN CCOC(=O)CCCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000058264332 184095424 /nfs/dbraw/zinc/09/54/24/184095424.db2.gz RDYODPGLQDARCE-QWRGUYRKSA-N 0 0 308.400 0.273 50 0 DCAARN CCCOCC(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000058392706 184111990 /nfs/dbraw/zinc/11/19/90/184111990.db2.gz VKGBLSCWTYRKNA-JTQLQIEISA-N 0 0 300.380 0.938 50 0 DCAARN Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCCNC3=O)CC2=O)cc1 ZINC000058280198 184098651 /nfs/dbraw/zinc/09/86/51/184098651.db2.gz KTIUTCYNRIXJQZ-GXTWGEPZSA-N 0 0 315.373 0.743 50 0 DCAARN CC(=O)N[C@H]1CCCN([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC000058328760 184105633 /nfs/dbraw/zinc/10/56/33/184105633.db2.gz LKTGNCZAZKXPQM-JSGCOSHPSA-N 0 0 321.425 0.964 50 0 DCAARN CCOC(=O)CN(CC(=O)NC(N)=O)Cc1ccc(C)cc1 ZINC000058434655 184118274 /nfs/dbraw/zinc/11/82/74/184118274.db2.gz INAGLHAZMNYHPF-UHFFFAOYSA-N 0 0 307.350 0.555 50 0 DCAARN O=C(NC[C@@H]1COc2ccccc2O1)C(=O)Nc1cc[nH]n1 ZINC000061717899 184184651 /nfs/dbraw/zinc/18/46/51/184184651.db2.gz STNIDKVYPQVGMY-SECBINFHSA-N 0 0 302.290 0.304 50 0 DCAARN COc1ccccc1CNC(=O)C(=O)NC[C@@](C)(O)C1CC1 ZINC000061976675 184199406 /nfs/dbraw/zinc/19/94/06/184199406.db2.gz QKGUOOCBEWSDEX-MRXNPFEDSA-N 0 0 306.362 0.589 50 0 DCAARN CC[C@@H](C(=O)NC)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000065362017 184328162 /nfs/dbraw/zinc/32/81/62/184328162.db2.gz AUQVLMSDDIJGDU-LBPRGKRZSA-N 0 0 300.380 0.986 50 0 DCAARN Cc1noc2ncc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc12 ZINC000065367810 184329371 /nfs/dbraw/zinc/32/93/71/184329371.db2.gz TYMPIZBELXQZHZ-UHFFFAOYSA-N 0 0 324.362 0.249 50 0 DCAARN Cc1ccsc1[C@@H]1CCN(C(=O)C2=NNC(=O)CC2)C[C@H]1O ZINC000065380970 184331873 /nfs/dbraw/zinc/33/18/73/184331873.db2.gz KZQIQEGHYVGIJL-ZYHUDNBSSA-N 0 0 321.402 0.999 50 0 DCAARN CN(Cc1n[nH]c(=O)n1-c1cccc(Cl)c1)S(C)(=O)=O ZINC000065380930 184331953 /nfs/dbraw/zinc/33/19/53/184331953.db2.gz NNRBZLGSMYSBKG-UHFFFAOYSA-N 0 0 316.770 0.605 50 0 DCAARN COC(=O)[C@H]1C[C@@H](O)CCN1Cc1ccc(-n2cncn2)cc1 ZINC000065427363 184342414 /nfs/dbraw/zinc/34/24/14/184342414.db2.gz HLBXQHCUOFRPCG-LSDHHAIUSA-N 0 0 316.361 0.766 50 0 DCAARN COC[C@H](O)CN(C)C(=O)NCc1ccc2c(c1)OCCO2 ZINC000065440001 184345264 /nfs/dbraw/zinc/34/52/64/184345264.db2.gz WWFUEPAOLRFFOW-GFCCVEGCSA-N 0 0 310.350 0.607 50 0 DCAARN CN(C)[C@H](CNC(=O)Cn1cnnn1)c1ccccc1Cl ZINC000065457567 184348299 /nfs/dbraw/zinc/34/82/99/184348299.db2.gz AYZVHSYKWGACLG-GFCCVEGCSA-N 0 0 308.773 0.746 50 0 DCAARN O=C(Cn1cnc2ccccc2c1=O)N[C@@H]1CCc2nccn2C1 ZINC000065465664 184350319 /nfs/dbraw/zinc/35/03/19/184350319.db2.gz YHQKSJDQZTUDCO-GFCCVEGCSA-N 0 0 323.356 0.724 50 0 DCAARN CN1C[C@@H](c2n[nH]c(=O)n2CCc2ccccc2F)CC1=O ZINC000065406739 184338440 /nfs/dbraw/zinc/33/84/40/184338440.db2.gz VUWFHLAVRLWNJR-NSHDSACASA-N 0 0 304.325 0.899 50 0 DCAARN Cc1nnc2n1C[C@H](NC(=O)[C@@H]1CC(=O)N(CC3CC3)C1)CC2 ZINC000065520814 184359064 /nfs/dbraw/zinc/35/90/64/184359064.db2.gz OJHUHZGZSJPKPK-CHWSQXEVSA-N 0 0 317.393 0.276 50 0 DCAARN CC(C)c1cc(C(=O)NCCSc2nnnn2C)n(C)n1 ZINC000065528483 184360463 /nfs/dbraw/zinc/36/04/63/184360463.db2.gz QUFPWYTYWBKSSG-UHFFFAOYSA-N 0 0 309.399 0.589 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000065536063 184362381 /nfs/dbraw/zinc/36/23/81/184362381.db2.gz QLUSMEPTSCEDDB-MRXNPFEDSA-N 0 0 323.368 0.891 50 0 DCAARN Cc1nc(CN2CCc3ncnc(N4CCOCC4)c3C2)no1 ZINC000065552534 184364852 /nfs/dbraw/zinc/36/48/52/184364852.db2.gz SKSKCUZHSGSSCK-UHFFFAOYSA-N 0 0 316.365 0.563 50 0 DCAARN O=C(CN1CCC[C@@H]1Cc1cccc(F)c1)N1CCNC(=O)C1 ZINC000065553487 184365365 /nfs/dbraw/zinc/36/53/65/184365365.db2.gz WYBHHLQKBNCDCT-OAHLLOKOSA-N 0 0 319.380 0.791 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000065604395 184371354 /nfs/dbraw/zinc/37/13/54/184371354.db2.gz PDVVGJGPBYNFDP-LBPRGKRZSA-N 0 0 313.423 0.615 50 0 DCAARN COc1nc2c(cc1C(=O)N1CCC(O)(CO)CC1)CCC2 ZINC000067934120 184490863 /nfs/dbraw/zinc/49/08/63/184490863.db2.gz FOZALYYUKRICDJ-UHFFFAOYSA-N 0 0 306.362 0.538 50 0 DCAARN CCOc1ncccc1CNC(=O)N[C@@H]1CCCCNC1=O ZINC000069483984 184518398 /nfs/dbraw/zinc/51/83/98/184518398.db2.gz DFMWIXNDXLJPCU-GFCCVEGCSA-N 0 0 306.366 0.948 50 0 DCAARN CC(C)CC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000069326436 184507246 /nfs/dbraw/zinc/50/72/46/184507246.db2.gz JZXGJOKAYPWXLQ-UHFFFAOYSA-N 0 0 319.409 0.678 50 0 DCAARN O=C(Nc1cnn(CCN2CCOCC2)c1)c1ccccn1 ZINC000069568339 184526786 /nfs/dbraw/zinc/52/67/86/184526786.db2.gz KBXBOFISSIOXJV-UHFFFAOYSA-N 0 0 301.350 0.863 50 0 DCAARN COCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)N1CCOCC1 ZINC000065170395 285006071 /nfs/dbraw/zinc/00/60/71/285006071.db2.gz LIPZOCFKOMQWOH-MRXNPFEDSA-N 0 0 318.373 0.618 50 0 DCAARN O=C1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2)CN1 ZINC000075158325 296343339 /nfs/dbraw/zinc/34/33/39/296343339.db2.gz BJOKYEQXUOFTDM-MRVPVSSYSA-N 0 0 319.180 0.616 50 0 DCAARN CCO[C@@H]1C[C@H](NC(=O)NCc2nnc3n2CCC3)[C@H]1OC ZINC000242346855 256604432 /nfs/dbraw/zinc/60/44/32/256604432.db2.gz ZJQVNNCSHSUDNH-OPQQBVKSSA-N 0 0 309.370 0.216 50 0 DCAARN CN1CC[C@H](CNS(=O)(=O)c2cccc3c2OCC3)CC1=O ZINC000521395873 257241173 /nfs/dbraw/zinc/24/11/73/257241173.db2.gz NSYCHXLMIWGESH-NSHDSACASA-N 0 0 324.402 0.768 50 0 DCAARN CCOC(=O)[C@@]1(F)CN(C(=O)[C@H]2CCCOC2)CC12COC2 ZINC000521394387 257241495 /nfs/dbraw/zinc/24/14/95/257241495.db2.gz YAYQRFWNHIUDPT-NHYWBVRUSA-N 0 0 315.341 0.543 50 0 DCAARN Cc1nccn1CCC(=O)N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000426727518 257243430 /nfs/dbraw/zinc/24/34/30/257243430.db2.gz QNYAVGNTSAPJLV-AWEZNQCLSA-N 0 0 320.393 0.431 50 0 DCAARN CC(C)Cc1noc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000426707185 257243601 /nfs/dbraw/zinc/24/36/01/257243601.db2.gz KSKOJNQRCGJOTD-SECBINFHSA-N 0 0 301.368 0.319 50 0 DCAARN CC(C)N1C[C@H](C(=O)N2CCN(c3nc[nH]n3)CC2)CCC1=O ZINC000426634062 257245265 /nfs/dbraw/zinc/24/52/65/257245265.db2.gz UVNZKJGGTQLNAL-GFCCVEGCSA-N 0 0 320.397 0.100 50 0 DCAARN O=C(NCCc1noc(CO)n1)c1c[nH]nc1-c1cccs1 ZINC000426571564 257246027 /nfs/dbraw/zinc/24/60/27/257246027.db2.gz FUPPTHOVQSXKEA-UHFFFAOYSA-N 0 0 319.346 0.986 50 0 DCAARN O=C(Cn1ccccc1=O)NC1CCN(c2cnccn2)CC1 ZINC000426589899 257246212 /nfs/dbraw/zinc/24/62/12/257246212.db2.gz CBNCSHCMRRXIGN-UHFFFAOYSA-N 0 0 313.361 0.424 50 0 DCAARN CSc1nc(C(=O)NC[C@H]2CN(C(C)=O)CCO2)cs1 ZINC000426533926 257247572 /nfs/dbraw/zinc/24/75/72/257247572.db2.gz XZHWZZZJINWZMM-VIFPVBQESA-N 0 0 315.420 0.842 50 0 DCAARN Cc1ccn2c(nnc2C(=O)NCCCN2CCCC2=O)n1 ZINC000426503203 257248331 /nfs/dbraw/zinc/24/83/31/257248331.db2.gz BBRGLPVDPSKFTH-UHFFFAOYSA-N 0 0 302.338 0.175 50 0 DCAARN COc1ccccc1CNC(=O)N1CCNC(=O)[C@@H]1CCO ZINC000426501900 257248614 /nfs/dbraw/zinc/24/86/14/257248614.db2.gz QTYNNTBFGSOQGX-LBPRGKRZSA-N 0 0 307.350 0.088 50 0 DCAARN CCc1c(C)nn(CCNC(=O)c2ccc3nnnn3c2)c1C ZINC000426477151 257249236 /nfs/dbraw/zinc/24/92/36/257249236.db2.gz DBJRFWUHBDQSEP-UHFFFAOYSA-N 0 0 313.365 0.930 50 0 DCAARN Cc1nc(CNC(=O)[C@H]2CCS(=O)(=O)C2)nc2c1CCCC2 ZINC000426477837 257249553 /nfs/dbraw/zinc/24/95/53/257249553.db2.gz CXWJRHQTCANUGG-NSHDSACASA-N 0 0 323.418 0.715 50 0 DCAARN CNC(=O)c1ccc(CNC(=O)c2nnc3nc(C)ccn32)o1 ZINC000426425125 257250038 /nfs/dbraw/zinc/25/00/38/257250038.db2.gz CNCQDIYQEDKPET-UHFFFAOYSA-N 0 0 314.305 0.315 50 0 DCAARN CCn1c(C)ccc(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)c1=O ZINC000426421206 257251285 /nfs/dbraw/zinc/25/12/85/257251285.db2.gz PIYAERAZGUXURW-KBPBESRZSA-N 0 0 308.378 0.787 50 0 DCAARN CN1C[C@@H](C(=O)NCCc2noc(C(F)(F)F)n2)CCC1=O ZINC000426406013 257251393 /nfs/dbraw/zinc/25/13/93/257251393.db2.gz BLXYLSVOEBRVOW-ZETCQYMHSA-N 0 0 320.271 0.616 50 0 DCAARN CCc1c(C)nn(CCNC(=O)[C@H]2CCC(=O)NC(=O)N2)c1C ZINC000426420859 257251557 /nfs/dbraw/zinc/25/15/57/257251557.db2.gz XXOFSBGSLUDAFY-GFCCVEGCSA-N 0 0 321.381 0.167 50 0 DCAARN CCc1nc(CNC(=O)NCCNC(=O)c2cccnc2)no1 ZINC000426374133 257253291 /nfs/dbraw/zinc/25/32/91/257253291.db2.gz GFADLWUCTLDJNQ-UHFFFAOYSA-N 0 0 318.337 0.256 50 0 DCAARN Cc1cccc(CNC(=O)N2CCN(CCOCCO)CC2)c1 ZINC000426359875 257253330 /nfs/dbraw/zinc/25/33/30/257253330.db2.gz NSLMZPLQIKXKCH-UHFFFAOYSA-N 0 0 321.421 0.831 50 0 DCAARN C[C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@H]1N1CCOCC1 ZINC000257366020 257256549 /nfs/dbraw/zinc/25/65/49/257256549.db2.gz GLBXSURCQBMNLL-RBSFLKMASA-N 0 0 312.410 0.361 50 0 DCAARN O[C@H](CN1CCCN(C[C@@H](O)C(F)(F)F)CC1)C(F)(F)F ZINC000020218602 257269016 /nfs/dbraw/zinc/26/90/16/257269016.db2.gz WIMBFQAYZDLXAW-RKDXNWHRSA-N 0 0 324.265 0.841 50 0 DCAARN CN1CC[NH+](C[C@H](CC(=O)Nc2cccc(O)c2)C(=O)[O-])CC1 ZINC000071282767 257270335 /nfs/dbraw/zinc/27/03/35/257270335.db2.gz UPAQLWJMTNRECG-LBPRGKRZSA-N 0 0 321.377 0.669 50 0 DCAARN CN(CC(N)=O)C(=O)CCCn1cc(Br)cn1 ZINC000071829958 184858576 /nfs/dbraw/zinc/85/85/76/184858576.db2.gz KPCRTSBZSXGYBU-UHFFFAOYSA-N 0 0 303.160 0.370 50 0 DCAARN Cc1cc(NC(=O)N[C@@H](C)c2n[nH]c(=O)[n-]2)n(CC[NH+](C)C)n1 ZINC000097323940 291956830 /nfs/dbraw/zinc/95/68/30/291956830.db2.gz PPCLLTOXUPYSEE-VIFPVBQESA-N 0 0 322.373 0.047 50 0 DCAARN CO[C@]12CCN(C(=O)CCc3cnn(C)c3)[C@H]1C[C@@H](O)CC2 ZINC000299778925 533382033 /nfs/dbraw/zinc/38/20/33/533382033.db2.gz PVRGFINAYMVOJV-OFQRWUPVSA-N 0 0 307.394 0.884 50 0 DCAARN Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN(c3ncccn3)CC2)cn1 ZINC000065523216 134827097 /nfs/dbraw/zinc/82/70/97/134827097.db2.gz KSRFRVWLOYZLSV-KBPBESRZSA-N 0 0 312.377 0.662 50 0 DCAARN COC(=O)CNC(=O)CSc1n[nH]c(-c2ccccc2F)n1 ZINC000008325026 395684397 /nfs/dbraw/zinc/68/43/97/395684397.db2.gz KKYPZCUZDUDDIQ-UHFFFAOYSA-N 0 0 324.337 0.992 50 0 DCAARN CC(=O)N[C@H](C(=O)Nc1ccc(-n2cnnn2)cc1)C(C)C ZINC000008344933 395684422 /nfs/dbraw/zinc/68/44/22/395684422.db2.gz CCSUATSHXDMULI-ZDUSSCGKSA-N 0 0 302.338 0.762 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)NC(=O)C[C@@H]2c1cccc(O)c1 ZINC000008594208 395684767 /nfs/dbraw/zinc/68/47/67/395684767.db2.gz YOUWOMCHLIDUAC-SNVBAGLBSA-N 0 0 301.302 0.913 50 0 DCAARN Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)NC[C@@H](O)CO ZINC000008764981 395684926 /nfs/dbraw/zinc/68/49/26/395684926.db2.gz RQTLWWXXFXUQSF-LLVKDONJSA-N 0 0 321.329 0.209 50 0 biogenic DCAARN O=C(Nn1ccc2c(cnc3ncnn32)c1=O)c1ccncc1 ZINC000009290489 395685140 /nfs/dbraw/zinc/68/51/40/395685140.db2.gz MSXRHCXYZBFHFN-UHFFFAOYSA-N 0 0 307.273 0.218 50 0 DCAARN CC(=O)N(CCS(=O)(=O)N1CCCC1)Cc1ccccn1 ZINC000009306006 395685325 /nfs/dbraw/zinc/68/53/25/395685325.db2.gz AAFBNJALUQCRGP-UHFFFAOYSA-N 0 0 311.407 0.856 50 0 DCAARN O=C(COC(=O)C1=COCCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000009885138 395685701 /nfs/dbraw/zinc/68/57/01/395685701.db2.gz RXKJGCQFIUSYFO-UHFFFAOYSA-N 0 0 304.258 0.470 50 0 DCAARN CN1C(=O)N(CC(=O)NC[C@@H]2CCCO2)C(=O)C12CCCCC2 ZINC000010030589 395685751 /nfs/dbraw/zinc/68/57/51/395685751.db2.gz AYZDHAJBIKAASH-LBPRGKRZSA-N 0 0 323.393 0.879 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000010753644 395686213 /nfs/dbraw/zinc/68/62/13/395686213.db2.gz QLMRLHQHMKSNOS-SNVBAGLBSA-N 0 0 301.368 0.533 50 0 DCAARN Cn1c2ccc(F)cc2s/c1=N/C(=O)CN1C(=O)CCC1=O ZINC000011853047 395686813 /nfs/dbraw/zinc/68/68/13/395686813.db2.gz GUDGBTCYPMDVOV-JQIJEIRASA-N 0 0 321.333 0.955 50 0 DCAARN CN(C)c1ccc(NC(=O)CCn2ccc(=O)[nH]c2=O)cc1 ZINC000011905180 395687000 /nfs/dbraw/zinc/68/70/00/395687000.db2.gz UEKJBZQWLBUGRY-UHFFFAOYSA-N 0 0 302.334 0.631 50 0 DCAARN CC(=O)N1CCN(c2ccc(N)c(N3CCOCC3)c2)CC1 ZINC000012364147 395687418 /nfs/dbraw/zinc/68/74/18/395687418.db2.gz UBYPQQIXCXNRPF-UHFFFAOYSA-N 0 0 304.394 0.774 50 0 DCAARN C[C@@H](OC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)NC1CC1 ZINC000012785690 395688015 /nfs/dbraw/zinc/68/80/15/395688015.db2.gz QDCMIZLUDYGDBV-MRVPVSSYSA-N 0 0 304.302 0.841 50 0 DCAARN COc1cc(C)c(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1OC ZINC000012915342 395688109 /nfs/dbraw/zinc/68/81/09/395688109.db2.gz YFAZILQDFCVSCA-UHFFFAOYSA-N 0 0 319.317 0.501 50 0 DCAARN COC(=O)C[C@H]1C(=O)NCCN1c1ncnc2ccsc21 ZINC000012908608 395688196 /nfs/dbraw/zinc/68/81/96/395688196.db2.gz ZZBMKOOTALAOQP-VIFPVBQESA-N 0 0 306.347 0.559 50 0 DCAARN CCNC(=O)CSc1nnnn1-c1cccc(NC(C)=O)c1 ZINC000012922165 395688214 /nfs/dbraw/zinc/68/82/14/395688214.db2.gz SRXQGFITYWOUMZ-UHFFFAOYSA-N 0 0 320.378 0.849 50 0 DCAARN CC[C@]1(C)NC(=O)N(NC(=O)Cc2ccc(OC)cc2)C1=O ZINC000014085565 395689116 /nfs/dbraw/zinc/68/91/16/395689116.db2.gz JICBCVRMCIHQHC-HNNXBMFYSA-N 0 0 305.334 0.989 50 0 DCAARN CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000014142012 395689212 /nfs/dbraw/zinc/68/92/12/395689212.db2.gz LFTXVKQHTCPLHO-MRVPVSSYSA-N 0 0 312.399 0.970 50 0 DCAARN COCCNC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 ZINC000014247613 395689428 /nfs/dbraw/zinc/68/94/28/395689428.db2.gz RHCCNDVXSJKPKZ-UHFFFAOYSA-N 0 0 322.386 0.881 50 0 DCAARN Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cn(C)nc1C ZINC000014250115 395689485 /nfs/dbraw/zinc/68/94/85/395689485.db2.gz RYYMGVIVXWFOLK-UHFFFAOYSA-N 0 0 311.411 0.900 50 0 DCAARN O=C(NCCN1CCOCC1)[C@H]1CCCN(c2ncccn2)C1 ZINC000020649919 395691385 /nfs/dbraw/zinc/69/13/85/395691385.db2.gz XZHUGRFPURPHFT-AWEZNQCLSA-N 0 0 319.409 0.141 50 0 DCAARN CCNc1nc(NC)nc(-n2cnc(SCC(=O)OC)n2)n1 ZINC000025495795 395693420 /nfs/dbraw/zinc/69/34/20/395693420.db2.gz WQEPJLFKCONBTR-UHFFFAOYSA-N 0 0 324.370 0.191 50 0 DCAARN COC(=O)c1nnn(-c2nonc2N)c1CN1CCCCCC1 ZINC000000051801 395679735 /nfs/dbraw/zinc/67/97/35/395679735.db2.gz YXBOFHBGWUHVKV-UHFFFAOYSA-N 0 0 321.341 0.395 50 0 DCAARN CC(=O)[C@@H](C)n1c(Br)nc2c1c(=O)[nH]c(=O)n2C ZINC000000189497 395679937 /nfs/dbraw/zinc/67/99/37/395679937.db2.gz SVSPOEAZYCDBKE-SCSAIBSYSA-N 0 0 315.127 0.336 50 0 DCAARN CCc1ccc(NC(=O)Cn2nnc(C(=O)OC)c2N)cc1 ZINC000000248835 395680102 /nfs/dbraw/zinc/68/01/02/395680102.db2.gz INPZKMWGARPYNN-UHFFFAOYSA-N 0 0 303.322 0.848 50 0 DCAARN O=S(=O)(c1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000000213905 395680116 /nfs/dbraw/zinc/68/01/16/395680116.db2.gz IENHGDSGTMNWCT-UHFFFAOYSA-N 0 0 304.375 0.988 50 0 DCAARN COC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000000379511 395680265 /nfs/dbraw/zinc/68/02/65/395680265.db2.gz OYAMXRMIFWHTMW-UHFFFAOYSA-N 0 0 303.336 0.643 50 0 DCAARN CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccccc1F ZINC000000379422 395680294 /nfs/dbraw/zinc/68/02/94/395680294.db2.gz GXADBIYTDIXUQX-UHFFFAOYSA-N 0 0 316.354 0.451 50 0 DCAARN CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1 ZINC000000804431 395680679 /nfs/dbraw/zinc/68/06/79/395680679.db2.gz YYZVEBJYTHVQFA-CYBMUJFWSA-N 0 0 312.391 0.984 50 0 DCAARN O=C(Nc1ccccc1)[C@@H]1CC(=O)NC(N2CCOCC2)=N1 ZINC000002225643 395681360 /nfs/dbraw/zinc/68/13/60/395681360.db2.gz OUYXPHLMWQIPKK-LBPRGKRZSA-N 0 0 302.334 0.202 50 0 DCAARN O=C(NCCO)c1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000002238120 395681393 /nfs/dbraw/zinc/68/13/93/395681393.db2.gz FILWZTBKGBPMRG-UHFFFAOYSA-N 0 0 317.374 0.940 50 0 DCAARN NC(=[NH2+])NCCC[C@@H](NC(=S)NCc1ccccc1)C(=O)[O-] ZINC000002290923 395681404 /nfs/dbraw/zinc/68/14/04/395681404.db2.gz JGHZYYHAZBBMNX-LLVKDONJSA-N 0 0 323.422 0.367 50 0 DCAARN O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)NCCO ZINC000002347713 395681435 /nfs/dbraw/zinc/68/14/35/395681435.db2.gz BIDDUCIJVMPASE-DHZHZOJOSA-N 0 0 306.343 0.831 50 0 DCAARN CCOC(=O)c1no[nH]c1=NN=c1[nH]onc1C(=O)OCC ZINC000002197556 395681464 /nfs/dbraw/zinc/68/14/64/395681464.db2.gz VKXCUOBAERRVMF-UHFFFAOYSA-N 0 0 312.242 0.245 50 0 DCAARN CCn1nccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000002760095 395681844 /nfs/dbraw/zinc/68/18/44/395681844.db2.gz OUVLRAFWJNGBHC-UHFFFAOYSA-N 0 0 308.363 0.480 50 0 DCAARN COc1cc(OC)c(C(=O)OCC(=O)NC(N)=O)cc1OC ZINC000002662851 395681861 /nfs/dbraw/zinc/68/18/61/395681861.db2.gz XYHMPRPBXINVIE-UHFFFAOYSA-N 0 0 312.278 0.064 50 0 DCAARN COc1cc(C(=O)N2CCN(C=O)CC2)cc(OC)c1OC ZINC000002824295 395681884 /nfs/dbraw/zinc/68/18/84/395681884.db2.gz ZAYXXYQFBPVFGM-UHFFFAOYSA-N 0 0 308.334 0.627 50 0 DCAARN NS(=O)(=O)c1ccc(NC(=O)c2cc3ncccn3n2)cc1 ZINC000002787824 395681944 /nfs/dbraw/zinc/68/19/44/395681944.db2.gz QKZGMYABIVLSMF-UHFFFAOYSA-N 0 0 317.330 0.629 50 0 DCAARN COC(CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)OC ZINC000003008258 395682056 /nfs/dbraw/zinc/68/20/56/395682056.db2.gz UFGYYHVUYQCOAH-AWEZNQCLSA-N 0 0 320.389 0.813 50 0 DCAARN NC(=O)COC(=O)c1cccc(I)c1 ZINC000003275956 395682437 /nfs/dbraw/zinc/68/24/37/395682437.db2.gz PIXIWUHHLMTXHY-UHFFFAOYSA-N 0 0 305.071 0.933 50 0 DCAARN CCN(CC)C(=O)Cn1nnn(-c2ccccc2Cl)c1=O ZINC000029950392 395700991 /nfs/dbraw/zinc/70/09/91/395700991.db2.gz NBZVLIAVUDMRLU-UHFFFAOYSA-N 0 0 309.757 0.951 50 0 DCAARN Cc1nn(C)cc1S(=O)(=O)N(C)Cc1c(Cl)cnn1C ZINC000036615251 395723784 /nfs/dbraw/zinc/72/37/84/395723784.db2.gz RVGZFQNJPVOPPE-UHFFFAOYSA-N 0 0 317.802 0.936 50 0 DCAARN CC[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2C)CCO1 ZINC000030853096 395704370 /nfs/dbraw/zinc/70/43/70/395704370.db2.gz WVTLTLWUDAMPRW-NSHDSACASA-N 0 0 312.391 0.893 50 0 DCAARN COC(=O)Cn1cnc2c(cnn2Cc2ccccc2F)c1=O ZINC000036662970 395723882 /nfs/dbraw/zinc/72/38/82/395723882.db2.gz POHPVTKLZIANHR-UHFFFAOYSA-N 0 0 316.292 0.953 50 0 DCAARN CNC(=O)NC(=O)CNc1cc(S(C)(=O)=O)ccc1F ZINC000031556871 395707165 /nfs/dbraw/zinc/70/71/65/395707165.db2.gz RGKHAYKSKQICBC-UHFFFAOYSA-N 0 0 303.315 0.097 50 0 DCAARN c1ccc(N2CCN(CCNc3ccc4nnnn4n3)CC2)cc1 ZINC000031576758 395707305 /nfs/dbraw/zinc/70/73/05/395707305.db2.gz ZTBJPPDGJKNACW-UHFFFAOYSA-N 0 0 324.392 0.753 50 0 DCAARN COc1ccc(OC)c([C@@H](O)CNC(=O)NCc2cc[nH]n2)c1 ZINC000089432541 395711760 /nfs/dbraw/zinc/71/17/60/395711760.db2.gz ZSLAURBMKZAXRU-ZDUSSCGKSA-N 0 0 320.349 0.960 50 0 DCAARN COc1ccccc1N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000089473839 395712067 /nfs/dbraw/zinc/71/20/67/395712067.db2.gz QXHJYNZDLAPPOQ-NEPJUHHUSA-N 0 0 318.377 0.319 50 0 DCAARN COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(C)[nH]c1=O ZINC000089610839 395713391 /nfs/dbraw/zinc/71/33/91/395713391.db2.gz QIUQGPLAEPMSPZ-GFCCVEGCSA-N 0 0 322.361 0.868 50 0 DCAARN CSCC[C@H]1NC(=S)N(Cc2nnc3n2CCC3)C1=O ZINC000032778510 395713400 /nfs/dbraw/zinc/71/34/00/395713400.db2.gz FGYIDGFBGOPVHQ-MRVPVSSYSA-N 0 0 311.436 0.563 50 0 DCAARN COc1ccc(-c2nnc(CN3CCN(CCO)CC3)o2)cc1 ZINC000032850913 395714407 /nfs/dbraw/zinc/71/44/07/395714407.db2.gz MBRMBXCXFPRTHK-UHFFFAOYSA-N 0 0 318.377 0.855 50 0 DCAARN CC(=O)N[C@H](C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000032828373 395714458 /nfs/dbraw/zinc/71/44/58/395714458.db2.gz TUYOCKFILANZFW-XPCVCDNBSA-N 0 0 313.442 0.761 50 0 DCAARN Cn1c(=O)ccn(CC(=O)N2CCc3sccc3C2)c1=O ZINC000032922920 395714681 /nfs/dbraw/zinc/71/46/81/395714681.db2.gz AJMMISHUAJMWFJ-UHFFFAOYSA-N 0 0 305.359 0.193 50 0 DCAARN O=C(c1ccoc1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000033090562 395716060 /nfs/dbraw/zinc/71/60/60/395716060.db2.gz RCBMCDBRECXLIG-UHFFFAOYSA-N 0 0 321.358 0.821 50 0 DCAARN C[C@H](Cn1ccnc1)NC(=O)NCCN1CCCCCC1=O ZINC000089904429 395716232 /nfs/dbraw/zinc/71/62/32/395716232.db2.gz UVVAITKVGLNOIY-CYBMUJFWSA-N 0 0 307.398 0.973 50 0 DCAARN CNC(=O)c1cc(S(=O)(=O)NC(C)(C)CO)ccc1Cl ZINC000033359675 395716853 /nfs/dbraw/zinc/71/68/53/395716853.db2.gz BRVAOCWEJDAIRT-UHFFFAOYSA-N 0 0 320.798 0.749 50 0 DCAARN CS(=O)(=O)NCC1CCC(C(=O)NC2=NCCS2)CC1 ZINC000036709673 395724423 /nfs/dbraw/zinc/72/44/23/395724423.db2.gz PGQMUPGTEGDNIB-UHFFFAOYSA-N 0 0 319.452 0.561 50 0 DCAARN O=C([O-])/C=C\C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC000033312460 395716953 /nfs/dbraw/zinc/71/69/53/395716953.db2.gz KXYOOBMDQBZUQX-WAYWQWQTSA-N 0 0 319.361 0.380 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(Br)c[nH]1 ZINC000035179963 395719361 /nfs/dbraw/zinc/71/93/61/395719361.db2.gz QJCBXEKPKIYARK-ZETCQYMHSA-N 0 0 307.169 0.694 50 0 DCAARN O=C(c1ccc(C(F)(F)F)nc1)N1CCN(CCO)CC1 ZINC000035221819 395719939 /nfs/dbraw/zinc/71/99/39/395719939.db2.gz OGSSBAUPUQDANQ-UHFFFAOYSA-N 0 0 303.284 0.851 50 0 DCAARN CCNC(=O)NC(=O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000035361639 395720162 /nfs/dbraw/zinc/72/01/62/395720162.db2.gz ZCDJUVIJHSQDGA-UHFFFAOYSA-N 0 0 308.357 0.793 50 0 DCAARN Cc1cccc([C@H]2NC(=O)NC3=C2C(=O)N(CCCO)C3)c1 ZINC000035590236 395720762 /nfs/dbraw/zinc/72/07/62/395720762.db2.gz KEMNPGRIOAFXKL-CQSZACIVSA-N 0 0 301.346 0.828 50 0 DCAARN COC(=O)CCNC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O ZINC000036597106 395723150 /nfs/dbraw/zinc/72/31/50/395723150.db2.gz JIBKZCBPIMXNPQ-LLVKDONJSA-N 0 0 319.317 0.456 50 0 DCAARN C[C@@H](NC(=O)N1CCN(c2cnccn2)CC1)[C@@H]1CCCO1 ZINC000026397981 395694262 /nfs/dbraw/zinc/69/42/62/395694262.db2.gz AAGAWQJZNCNENB-OLZOCXBDSA-N 0 0 305.382 0.876 50 0 DCAARN O=C(CN1CCN(c2cnccn2)CC1)NCC(F)(F)F ZINC000027629530 395695323 /nfs/dbraw/zinc/69/53/23/395695323.db2.gz WYUBIQYNWZJKKW-UHFFFAOYSA-N 0 0 303.288 0.277 50 0 DCAARN Cc1noc(C)c1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000029192787 395697059 /nfs/dbraw/zinc/69/70/59/395697059.db2.gz ADCVAOKVENAPMA-JTQLQIEISA-N 0 0 301.368 0.445 50 0 DCAARN COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCOCC2)cc1 ZINC000029122913 395697095 /nfs/dbraw/zinc/69/70/95/395697095.db2.gz VHZJLARTPUHLTL-GFCCVEGCSA-N 0 0 306.362 0.810 50 0 DCAARN CCC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000038530490 395732598 /nfs/dbraw/zinc/73/25/98/395732598.db2.gz SOLSCPMICQPJTE-UHFFFAOYSA-N 0 0 305.382 0.372 50 0 DCAARN O=C(CN1CCSC1=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000040553736 395734362 /nfs/dbraw/zinc/73/43/62/395734362.db2.gz CSYKVMYFBVDKNL-LLVKDONJSA-N 0 0 321.406 0.730 50 0 DCAARN Cc1ncsc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000041164606 395736052 /nfs/dbraw/zinc/73/60/52/395736052.db2.gz WPBDZTMUEVCYTQ-JTQLQIEISA-N 0 0 317.436 0.853 50 0 DCAARN O=C(NCCc1cc(=O)[nH]cn1)[C@H]1COc2ccccc2O1 ZINC000096161905 395746610 /nfs/dbraw/zinc/74/66/10/395746610.db2.gz AFYIDVGICJQCAQ-CYBMUJFWSA-N 0 0 301.302 0.269 50 0 DCAARN Cn1nnnc1COc1ccc(C(=O)N2CCSCC2)cc1 ZINC000096192605 395748358 /nfs/dbraw/zinc/74/83/58/395748358.db2.gz FNTNUCICXHONKF-UHFFFAOYSA-N 0 0 319.390 0.978 50 0 DCAARN O=C(c1ccccn1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000096005456 395740921 /nfs/dbraw/zinc/74/09/21/395740921.db2.gz JGYVVDIZEHISFH-UHFFFAOYSA-N 0 0 309.391 0.768 50 0 DCAARN O=C(NCc1ccc(N2CCOCC2)nc1)NC[C@@H]1CCOC1 ZINC000042309535 395744091 /nfs/dbraw/zinc/74/40/91/395744091.db2.gz DNOIVSQKPLARAT-AWEZNQCLSA-N 0 0 320.393 0.754 50 0 DCAARN Cn1nnnc1COc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000096101379 395744241 /nfs/dbraw/zinc/74/42/41/395744241.db2.gz XQOXHVFYHLVRAX-NSHDSACASA-N 0 0 317.349 0.698 50 0 DCAARN O=C(NCc1nc2ccccc2[nH]1)c1ccc(-n2cncn2)nn1 ZINC000096097853 395744397 /nfs/dbraw/zinc/74/43/97/395744397.db2.gz PHGZWJDIDHQBJD-UHFFFAOYSA-N 0 0 320.316 0.864 50 0 DCAARN C[N@@H+]1C[C@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@@]2(C(=O)[O-])C1 ZINC000096135914 395745591 /nfs/dbraw/zinc/74/55/91/395745591.db2.gz DOVFHECYDDLQOG-ZFWWWQNUSA-N 0 0 324.402 0.465 50 0 DCAARN CNc1ncc(C(=O)NCCNC(=O)c2ccc(F)cc2)cn1 ZINC000096139187 395746102 /nfs/dbraw/zinc/74/61/02/395746102.db2.gz RFRLYKQTKXMSIZ-UHFFFAOYSA-N 0 0 317.324 0.817 50 0 DCAARN C[C@@]1(O)CCN(C(=O)c2cnc(N)nc2C(F)(F)F)C[C@@H]1O ZINC000096150877 395746306 /nfs/dbraw/zinc/74/63/06/395746306.db2.gz VLTZNHUGGHZHRT-WRWORJQWSA-N 0 0 320.271 0.035 50 0 DCAARN CCNC(=O)CN1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000096402370 395752796 /nfs/dbraw/zinc/75/27/96/395752796.db2.gz QATITTVBZLDLSW-UHFFFAOYSA-N 0 0 319.409 0.182 50 0 DCAARN CCNC(=O)C1CCN(c2ncnc3c2cnn3CCO)CC1 ZINC000097200173 395755464 /nfs/dbraw/zinc/75/54/64/395755464.db2.gz BNMFBQOCAFZYBM-UHFFFAOYSA-N 0 0 318.381 0.171 50 0 DCAARN CN(CC(C)(CO)CO)C(=O)c1ccc(-n2cccc2)nc1 ZINC000097236617 395756706 /nfs/dbraw/zinc/75/67/06/395756706.db2.gz ZOAKMPLXQDEAKX-UHFFFAOYSA-N 0 0 303.362 0.935 50 0 DCAARN O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cnc(N2CCCC2)nc1 ZINC000097499542 395757994 /nfs/dbraw/zinc/75/79/94/395757994.db2.gz FXTFVMMCHOLQOI-LLVKDONJSA-N 0 0 308.363 0.117 50 0 DCAARN Cc1cc(CN2CCN(C(=O)NC[C@H]3CCOC3)CC2)on1 ZINC000047067926 395786720 /nfs/dbraw/zinc/78/67/20/395786720.db2.gz KSBPWRMPKUKDGR-CYBMUJFWSA-N 0 0 308.382 0.847 50 0 DCAARN O=C([C@H]1CCC(=O)NC(=O)N1)N1CCC(c2ncc[nH]2)CC1 ZINC000097570936 395758572 /nfs/dbraw/zinc/75/85/72/395758572.db2.gz CETOQINABSSNQM-SNVBAGLBSA-N 0 0 305.338 0.104 50 0 DCAARN Cn1cnnc1CCC(=O)N1CCCN(C(=O)C2CCC2)CC1 ZINC000097574919 395759174 /nfs/dbraw/zinc/75/91/74/395759174.db2.gz NVBPIXKOLGVUOU-UHFFFAOYSA-N 0 0 319.409 0.609 50 0 DCAARN COCc1noc(CCNC(=O)Nc2ccc(OC)nc2)n1 ZINC000097578444 395759438 /nfs/dbraw/zinc/75/94/38/395759438.db2.gz OIHLVWJMCDFGMG-UHFFFAOYSA-N 0 0 307.310 0.984 50 0 DCAARN O=C(CN1CCN(c2cnccn2)CC1)NCc1ccco1 ZINC000044906696 395759767 /nfs/dbraw/zinc/75/97/67/395759767.db2.gz CPHXAJAYMVREMA-UHFFFAOYSA-N 0 0 301.350 0.508 50 0 DCAARN C[C@]1(O)CCN(C(=O)c2cccc(Cn3cccn3)c2)C[C@@H]1O ZINC000097711642 395760124 /nfs/dbraw/zinc/76/01/24/395760124.db2.gz RXMNCKDWEPZYAU-RDJZCZTQSA-N 0 0 315.373 0.889 50 0 DCAARN CN(C)C(=O)N1CCN(Cc2cncn2C2CC2)C[C@H](O)C1 ZINC000097716869 395760230 /nfs/dbraw/zinc/76/02/30/395760230.db2.gz KSPUZAQGWHSVDW-AWEZNQCLSA-N 0 0 307.398 0.378 50 0 DCAARN CC[C@H](CO)NC(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000044946590 395760432 /nfs/dbraw/zinc/76/04/32/395760432.db2.gz ILGYSNSKARWARD-TZMCWYRMSA-N 0 0 322.409 0.877 50 0 DCAARN Cc1cc(=O)c2cccc(C(=O)N3CCN(CCO)CC3)c2[nH]1 ZINC000097785538 395760882 /nfs/dbraw/zinc/76/08/82/395760882.db2.gz PFPQNYQKRDZYFK-UHFFFAOYSA-N 0 0 315.373 0.587 50 0 DCAARN C[C@H](C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)n1cccn1 ZINC000098010375 395761428 /nfs/dbraw/zinc/76/14/28/395761428.db2.gz NBYHPNZIIRFCFB-ZYHUDNBSSA-N 0 0 302.338 0.099 50 0 DCAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NC[C@@H]1CCCO1 ZINC000101806302 395767350 /nfs/dbraw/zinc/76/73/50/395767350.db2.gz PFQZYPVEJLRBHM-YNEHKIRRSA-N 0 0 306.362 0.623 50 0 DCAARN C[C@]12CCC(=O)N1[C@@H](C(=O)NCCCn1cccn1)CS2 ZINC000045936227 395768566 /nfs/dbraw/zinc/76/85/66/395768566.db2.gz GSWVBXSZXAXAGA-RISCZKNCSA-N 0 0 308.407 0.843 50 0 DCAARN Cc1ccnn1CC(=O)Nn1c(=O)c2ccccc2[nH]c1=S ZINC000102004969 395768767 /nfs/dbraw/zinc/76/87/67/395768767.db2.gz VTOJSIOBGDILOJ-UHFFFAOYSA-N 0 0 315.358 0.960 50 0 DCAARN Cc1cnn(CC(=O)Nn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000102004293 395768906 /nfs/dbraw/zinc/76/89/06/395768906.db2.gz XNXUWBZKSPUIPC-UHFFFAOYSA-N 0 0 315.358 0.960 50 0 DCAARN NS(=O)(=O)CCCC(=O)N[C@H]1C(=O)Nc2ccc(F)cc21 ZINC000102501958 395770386 /nfs/dbraw/zinc/77/03/86/395770386.db2.gz GWZFMCDIQISTRX-LLVKDONJSA-N 0 0 315.326 0.004 50 0 DCAARN NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000046171603 395772132 /nfs/dbraw/zinc/77/21/32/395772132.db2.gz AMZPPGNUEVEQRQ-LLVKDONJSA-N 0 0 310.375 0.508 50 0 DCAARN COC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000046217146 395773598 /nfs/dbraw/zinc/77/35/98/395773598.db2.gz XFGHGAPRIAPLCG-SNVBAGLBSA-N 0 0 308.334 0.696 50 0 DCAARN CCN(C[C@H]1CCOC1)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000048263399 395811595 /nfs/dbraw/zinc/81/15/95/395811595.db2.gz HDMCTXZLIPFLTO-OLZOCXBDSA-N 0 0 318.439 0.543 50 0 DCAARN O=S(=O)(NCCCOC[C@@H]1CCCO1)N1CCCCC1 ZINC000048234333 395811666 /nfs/dbraw/zinc/81/16/66/395811666.db2.gz AFDPTYIPVAIBHY-ZDUSSCGKSA-N 0 0 306.428 0.892 50 0 DCAARN O=C(Nc1ccc(-n2cccn2)nc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000048368829 395814342 /nfs/dbraw/zinc/81/43/42/395814342.db2.gz WJXFAATZHSHXDB-LLVKDONJSA-N 0 0 321.362 0.576 50 0 DCAARN CC[C@@H](C)[C@@H](C)NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000195093237 395816191 /nfs/dbraw/zinc/81/61/91/395816191.db2.gz UZJXFLXOGFQUNP-RKDXNWHRSA-N 0 0 321.381 0.433 50 0 DCAARN Cc1cc(NC(=O)C2CCN(C(=O)c3cn(C)nn3)CC2)no1 ZINC000049027054 395826840 /nfs/dbraw/zinc/82/68/40/395826840.db2.gz LQWJOZVZGCLRDQ-UHFFFAOYSA-N 0 0 318.337 0.602 50 0 DCAARN O=C(CNS(=O)(=O)c1cccs1)NC[C@H]1CCCCO1 ZINC000049121018 395828196 /nfs/dbraw/zinc/82/81/96/395828196.db2.gz FCWQRUODNMGBHJ-SNVBAGLBSA-N 0 0 318.420 0.712 50 0 DCAARN CC(C)Oc1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 ZINC000049227121 395829873 /nfs/dbraw/zinc/82/98/73/395829873.db2.gz XYXIBIKADVZRTH-UHFFFAOYSA-N 0 0 303.318 0.963 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cnc2c(F)cccc2c1O ZINC000049544430 395832525 /nfs/dbraw/zinc/83/25/25/395832525.db2.gz INACSLSKNQXOKH-QMMMGPOBSA-N 0 0 324.333 0.996 50 0 DCAARN Cn1cc(CNC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cn1 ZINC000050061104 395836168 /nfs/dbraw/zinc/83/61/68/395836168.db2.gz WNVMRUHAKRCNCL-UHFFFAOYSA-N 0 0 314.349 0.932 50 0 DCAARN CC(C)(C)OC(=O)NOCCOCCOCCOCCO ZINC000214943804 395836813 /nfs/dbraw/zinc/83/68/13/395836813.db2.gz CHEZAYNNNOMTTB-UHFFFAOYSA-N 0 0 309.359 0.485 50 0 DCAARN COC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000050607343 395839276 /nfs/dbraw/zinc/83/92/76/395839276.db2.gz SXEUBIDBOJOIIA-PWSUYJOCSA-N 0 0 308.334 0.952 50 0 DCAARN Cc1ccc(O[C@@H]2CCCN(C(=O)c3c[nH]c(=O)[nH]3)C2)nn1 ZINC000225463182 395860451 /nfs/dbraw/zinc/86/04/51/395860451.db2.gz ZFNOYBYLPWUEGK-SNVBAGLBSA-N 0 0 303.322 0.485 50 0 DCAARN O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)C1=NNC(=O)CC1 ZINC000218965699 395843460 /nfs/dbraw/zinc/84/34/60/395843460.db2.gz DGJNQWLAABIFHC-VXGBXAGGSA-N 0 0 318.333 0.000 50 0 DCAARN CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(CC(C)C)nc(N)n1 ZINC000218974101 395843707 /nfs/dbraw/zinc/84/37/07/395843707.db2.gz ARVODCYUKWTBSU-ZDUSSCGKSA-N 0 0 319.409 0.998 50 0 DCAARN CCOCCC(=O)N1CCN(c2ccc3nccn3n2)CC1 ZINC000218943573 395843875 /nfs/dbraw/zinc/84/38/75/395843875.db2.gz JVHAKXQUKZYNBF-UHFFFAOYSA-N 0 0 303.366 0.805 50 0 DCAARN O=C(N1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1)C1(Cn2ccnc2)CC1 ZINC000220315468 395848000 /nfs/dbraw/zinc/84/80/00/395848000.db2.gz GOYPXTLDBBPGHW-LVEBTZEWSA-N 0 0 305.378 0.254 50 0 DCAARN CCCO[C@@H]1CCCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)C1 ZINC000220547557 395849012 /nfs/dbraw/zinc/84/90/12/395849012.db2.gz TZQJVMREOWSGSC-GFCCVEGCSA-N 0 0 309.366 0.034 50 0 DCAARN O=C(CCCC(=O)c1ccccc1)NCc1c[nH]c(=O)[nH]c1=O ZINC000220654927 395849359 /nfs/dbraw/zinc/84/93/59/395849359.db2.gz PJRRRPNSNONKDE-UHFFFAOYSA-N 0 0 315.329 0.733 50 0 DCAARN COC(=O)N1CCCC[C@H]1C(=O)NCc1cnn2cccnc12 ZINC000221309583 395850138 /nfs/dbraw/zinc/85/01/38/395850138.db2.gz OKQNMTQMWSKMKS-LBPRGKRZSA-N 0 0 317.349 0.966 50 0 DCAARN COc1ccnc(N2CCN(C(=O)Cc3cc(C)no3)CC2)n1 ZINC000221234127 395850153 /nfs/dbraw/zinc/85/01/53/395850153.db2.gz VQNRVOJVKZTPKZ-UHFFFAOYSA-N 0 0 317.349 0.673 50 0 DCAARN COc1ccc(C2(C(=O)NC[C@@H]3CN(C)C(=O)CO3)CC2)cc1 ZINC000221334158 395850735 /nfs/dbraw/zinc/85/07/35/395850735.db2.gz ZNHUHCUHQLMOGO-CQSZACIVSA-N 0 0 318.373 0.700 50 0 DCAARN COc1cc(C(=O)NCCSc2nnnn2C)ccc1F ZINC000221276767 395850752 /nfs/dbraw/zinc/85/07/52/395850752.db2.gz BESRAWONMQCYAM-UHFFFAOYSA-N 0 0 311.342 0.880 50 0 DCAARN COc1coc(Cn2c3ccccc3n(C)c(=O)c2=O)cc1=O ZINC000222376221 395852868 /nfs/dbraw/zinc/85/28/68/395852868.db2.gz KOGGWJHZLJTKCR-UHFFFAOYSA-N 0 0 314.297 0.710 50 0 DCAARN CCN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@H]1CCOC(C)(C)C1 ZINC000222902195 395853758 /nfs/dbraw/zinc/85/37/58/395853758.db2.gz SRNHZDDRYMRRJE-JTQLQIEISA-N 0 0 309.366 0.493 50 0 DCAARN Cn1cc([C@@H](NC(=O)Cc2ccccn2)[C@H]2C[C@H](O)C2)cn1 ZINC000223315945 395854910 /nfs/dbraw/zinc/85/49/10/395854910.db2.gz ONAROOPTLLNMHW-PEYYIBSZSA-N 0 0 300.362 0.986 50 0 DCAARN Cn1cc([C@H](NC(=O)c2n[nH]c3c2CCC3)[C@H]2C[C@@H](O)C2)cn1 ZINC000223748427 395856681 /nfs/dbraw/zinc/85/66/81/395856681.db2.gz PUIDHVYBVXTJQY-GLXFQSAKSA-N 0 0 315.377 0.874 50 0 DCAARN Cc1cc(C)n2c(nnc2C(=O)NC2CCS(=O)(=O)CC2)n1 ZINC000223891583 395857443 /nfs/dbraw/zinc/85/74/43/395857443.db2.gz WHBJBOUPUXBRLI-UHFFFAOYSA-N 0 0 323.378 0.048 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)c2nc(N3CCCC3)ncc2Cl)C1 ZINC000053895037 395890793 /nfs/dbraw/zinc/89/07/93/395890793.db2.gz VYEFYHGCGYNHPU-VIFPVBQESA-N 0 0 323.784 0.678 50 0 DCAARN CS(=O)(=O)NCCNC(=O)C1=NO[C@H](c2ccccc2)C1 ZINC000054655310 395903602 /nfs/dbraw/zinc/90/36/02/395903602.db2.gz VTRZJEBQMWHVSK-LBPRGKRZSA-N 0 0 311.363 0.169 50 0 DCAARN CCNC(=O)NC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000054658679 395904061 /nfs/dbraw/zinc/90/40/61/395904061.db2.gz FRHNWURKCPBLBY-UHFFFAOYSA-N 0 0 300.318 0.756 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000054798102 395906037 /nfs/dbraw/zinc/90/60/37/395906037.db2.gz QDNNTBRGCYQFNU-GFCCVEGCSA-N 0 0 322.390 0.542 50 0 DCAARN CCSc1nc(CC(=O)NCCN2CCNC2=O)cs1 ZINC000055226902 395914449 /nfs/dbraw/zinc/91/44/49/395914449.db2.gz QDMAETGPHONRFI-UHFFFAOYSA-N 0 0 314.436 0.939 50 0 DCAARN CCOC(=O)CN(C)c1ncc(CN[C@H](C)c2nc[nH]n2)cn1 ZINC000055370718 395918206 /nfs/dbraw/zinc/91/82/06/395918206.db2.gz XLTNURCHUVBFSM-SNVBAGLBSA-N 0 0 319.369 0.445 50 0 DCAARN Cc1ccc(CC(=O)N2CCC(N3CCNC3=O)CC2)cn1 ZINC000055786914 395921512 /nfs/dbraw/zinc/92/15/12/395921512.db2.gz KMUKFDVIGXECIT-UHFFFAOYSA-N 0 0 302.378 0.949 50 0 DCAARN Cc1cc(=O)[nH]c(N2CCC(NC(=O)c3cn(C)nn3)CC2)n1 ZINC000238879058 395923012 /nfs/dbraw/zinc/92/30/12/395923012.db2.gz OUEDMZKOGLTTES-UHFFFAOYSA-N 0 0 317.353 0.018 50 0 DCAARN CN(C)C(=O)NCC(=O)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000244874734 395925848 /nfs/dbraw/zinc/92/58/48/395925848.db2.gz XGHIEWUOVSSUNG-RBSFLKMASA-N 0 0 319.405 0.756 50 0 DCAARN COc1cncc(O[C@@H]2CCCN(C(=O)Cn3cccn3)C2)n1 ZINC000225498645 395861644 /nfs/dbraw/zinc/86/16/44/395861644.db2.gz WEFPTICYSGYGIY-GFCCVEGCSA-N 0 0 317.349 0.752 50 0 DCAARN CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000225495232 395861854 /nfs/dbraw/zinc/86/18/54/395861854.db2.gz MCBQWYIKWLTNQD-CKYFFXLPSA-N 0 0 313.398 0.883 50 0 DCAARN COc1ccc(CC(=O)N2CC[C@H](N3C(=O)COC3=O)C2)cc1 ZINC000225699411 395862402 /nfs/dbraw/zinc/86/24/02/395862402.db2.gz RAZJROCCSFAYOX-LBPRGKRZSA-N 0 0 318.329 0.817 50 0 DCAARN C[C@H]1CN(C(=O)NCCCOCC(F)(F)F)CC(=O)N1C ZINC000225689375 395862556 /nfs/dbraw/zinc/86/25/56/395862556.db2.gz GCQRXPJCPAYHTO-VIFPVBQESA-N 0 0 311.304 0.828 50 0 DCAARN CCCN(C(=O)Cc1ccc(C)nc1)[C@@H]1CC(=O)N(C)C1=O ZINC000225769277 395862966 /nfs/dbraw/zinc/86/29/66/395862966.db2.gz PCARALVIIULJSS-CYBMUJFWSA-N 0 0 303.362 0.928 50 0 DCAARN Cn1cccc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000225764670 395863116 /nfs/dbraw/zinc/86/31/16/395863116.db2.gz IGBDXEYLVFFROH-WCQYABFASA-N 0 0 323.393 0.983 50 0 DCAARN COc1cc(C(=O)NCC(F)(F)F)ccc1OCC(N)=O ZINC000052549485 395865082 /nfs/dbraw/zinc/86/50/82/395865082.db2.gz XSMOEAZJMOQOQT-UHFFFAOYSA-N 0 0 306.240 0.851 50 0 DCAARN COC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000226088561 395865115 /nfs/dbraw/zinc/86/51/15/395865115.db2.gz VWTYEXYBSOPOCS-SECBINFHSA-N 0 0 315.347 0.785 50 0 DCAARN O[C@H](COc1ccccc1)CN1CCO[C@@H](Cn2cncn2)C1 ZINC000229552601 395875504 /nfs/dbraw/zinc/87/55/04/395875504.db2.gz FFPHVRICEYFSCC-GOEBONIOSA-N 0 0 318.377 0.419 50 0 DCAARN C[C@@H]1C[C@H](N2CCO[C@@H](CN(C)c3cccnn3)C2)C(=O)O1 ZINC000229824623 395876834 /nfs/dbraw/zinc/87/68/34/395876834.db2.gz BGVGPZDSRHINJI-AGIUHOORSA-N 0 0 306.366 0.318 50 0 DCAARN CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1NC(C)=O ZINC000230096420 395877892 /nfs/dbraw/zinc/87/78/92/395877892.db2.gz XCDVOAZVARITEI-QOTRURMSSA-N 0 0 323.345 0.338 50 0 DCAARN COCCOc1ccc(CNC(=O)c2nccnc2N)cn1 ZINC000053519965 395885166 /nfs/dbraw/zinc/88/51/66/395885166.db2.gz CAGGAUOOXRUNCB-UHFFFAOYSA-N 0 0 303.322 0.409 50 0 DCAARN CNC(=O)NC(=O)CN1CCN(C(=O)C2CCCCC2)CC1 ZINC000058343063 395953304 /nfs/dbraw/zinc/95/33/04/395953304.db2.gz RQWFYXNWAWFOOX-UHFFFAOYSA-N 0 0 310.398 0.167 50 0 DCAARN COc1ccc2c(c1)OC[C@@H](NC(=O)NCC(F)(F)CO)C2 ZINC000274553811 395958167 /nfs/dbraw/zinc/95/81/67/395958167.db2.gz VGXYQPUTAAIXOR-JTQLQIEISA-N 0 0 316.304 0.926 50 0 DCAARN CCOC(=O)[C@H](Br)[C@@H](OC(C)=O)C(=O)OCC ZINC000142262576 395958958 /nfs/dbraw/zinc/95/89/58/395958958.db2.gz WAEXOXZYBOQKKQ-HTQZYQBOSA-N 0 0 311.128 0.808 50 0 DCAARN COc1ccc(CN2CCN(S(=O)(=O)C(C)C)CC2)cn1 ZINC000065267245 395991336 /nfs/dbraw/zinc/99/13/36/395991336.db2.gz ULNQABSHRDOXCQ-UHFFFAOYSA-N 0 0 313.423 0.946 50 0 DCAARN CNC(=O)Nc1ccc(C)n(CC(=O)N2CCCCC2)c1=O ZINC000065212229 395991440 /nfs/dbraw/zinc/99/14/40/395991440.db2.gz GGECEGVKRUUPQA-UHFFFAOYSA-N 0 0 306.366 0.921 50 0 DCAARN COc1cc(NC(=O)Cn2c(N)nc(C)cc2=O)cc(OC)c1 ZINC000065310813 395992213 /nfs/dbraw/zinc/99/22/13/395992213.db2.gz BMAKHTUCYCPZKJ-UHFFFAOYSA-N 0 0 318.333 0.790 50 0 DCAARN CCCc1nc(C)cc(N2CCN(C(=O)c3nc[nH]n3)CC2)n1 ZINC000065376486 395993366 /nfs/dbraw/zinc/99/33/66/395993366.db2.gz GJWKUKFPSPUUGA-UHFFFAOYSA-N 0 0 315.381 0.818 50 0 DCAARN COCCNC(=O)C[C@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000252536825 396022774 /nfs/dbraw/zinc/02/27/74/396022774.db2.gz JQDUZSUHVQORDJ-GFCCVEGCSA-N 0 0 305.334 0.464 50 0 DCAARN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCCC[C@H]1Cn1cncn1 ZINC000253374209 396026331 /nfs/dbraw/zinc/02/63/31/396026331.db2.gz LNZIKERFRJALBS-QLFBSQMISA-N 0 0 321.425 0.816 50 0 DCAARN Cc1ccncc1C(=O)N[C@@H]1CN(c2ncccn2)C[C@H]1CO ZINC000253398437 396026758 /nfs/dbraw/zinc/02/67/58/396026758.db2.gz CDQBTYHKQANELK-GXTWGEPZSA-N 0 0 313.361 0.407 50 0 DCAARN CSC1(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000253421575 396027748 /nfs/dbraw/zinc/02/77/48/396027748.db2.gz YLNNBJFEIOCRTC-LLVKDONJSA-N 0 0 318.464 0.909 50 0 DCAARN C[NH+](C)CCCOC1CCN(C(=O)c2nc(O)cc(=O)[n-]2)CC1 ZINC000253417758 396028260 /nfs/dbraw/zinc/02/82/60/396028260.db2.gz KLEJDVKNWLYPJP-UHFFFAOYSA-N 0 0 324.381 0.461 50 0 DCAARN C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H](c2ccsc2)O1 ZINC000253432340 396028559 /nfs/dbraw/zinc/02/85/59/396028559.db2.gz ZLAFTULWNNHREI-DGCLKSJQSA-N 0 0 324.402 0.895 50 0 DCAARN Nc1nc([C@H]2C[C@@H](NC(=O)c3n[nH]c4c3CCC4)C2)cc(=O)[nH]1 ZINC000253535267 396029699 /nfs/dbraw/zinc/02/96/99/396029699.db2.gz NAUARRQTFQKXFT-OCAPTIKFSA-N 0 0 314.349 0.652 50 0 DCAARN Cc1cnccc1CN1CCN(c2cc(=O)nc(N)[nH]2)CC1 ZINC000253536425 396029793 /nfs/dbraw/zinc/02/97/93/396029793.db2.gz QHPWSBRKRHXCJJ-UHFFFAOYSA-N 0 0 300.366 0.790 50 0 DCAARN C[C@@H](NC(=O)Cc1ccc(F)cc1)C1=CCCN(CC(N)=O)C1 ZINC000067673345 396031106 /nfs/dbraw/zinc/03/11/06/396031106.db2.gz KFCUAVLUTKZLKU-GFCCVEGCSA-N 0 0 319.380 0.990 50 0 DCAARN COC(=O)C1=CNC(=O)C([C@@H](CC(N)=O)c2cnn(C)c2)C1=O ZINC000253623704 396031487 /nfs/dbraw/zinc/03/14/87/396031487.db2.gz IDAYWFYHPJKGGL-QMMMGPOBSA-N 0 0 320.305 0.020 50 0 DCAARN CNC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1nc(C(C)C)cs1 ZINC000067713275 396031755 /nfs/dbraw/zinc/03/17/55/396031755.db2.gz MNLMGOQPTKYZHJ-SNVBAGLBSA-N 0 0 324.406 0.343 50 0 DCAARN C[C@]1(C2CCN(c3ncnc4c3CCC4)CC2)NC(=O)NC1=O ZINC000067770992 396033218 /nfs/dbraw/zinc/03/32/18/396033218.db2.gz QZIVUGCKQYLMKG-MRXNPFEDSA-N 0 0 315.377 0.780 50 0 DCAARN CC(C)Cc1ncc2c(n1)CN(C(=O)CCn1cnnn1)C2 ZINC000067756641 396033420 /nfs/dbraw/zinc/03/34/20/396033420.db2.gz XMZAHNLGVIECLN-UHFFFAOYSA-N 0 0 301.354 0.594 50 0 DCAARN O=S(=O)(NCC[C@@H]1CN(Cc2ccco2)CCO1)C1CC1 ZINC000067817197 396034748 /nfs/dbraw/zinc/03/47/48/396034748.db2.gz LUSNGJPOKURKJR-CYBMUJFWSA-N 0 0 314.407 0.952 50 0 DCAARN CC(=O)N1CC[C@@H](c2nnc3n2CCN(C(=O)C(C)C)CC3)C1 ZINC000257191851 396035116 /nfs/dbraw/zinc/03/51/16/396035116.db2.gz ROGPLXIESLOAGX-CYBMUJFWSA-N 0 0 319.409 0.655 50 0 DCAARN Cc1ccn2cc(CNC(=O)[C@@H](C)NS(C)(=O)=O)nc2c1 ZINC000067844523 396036428 /nfs/dbraw/zinc/03/64/28/396036428.db2.gz QZMRNKWLWAUCFQ-SNVBAGLBSA-N 0 0 310.379 0.197 50 0 DCAARN CN1C[C@@H]2CC[C@H](CC1=O)N2c1cc(N2CCOCC2)ncn1 ZINC000067908734 396038713 /nfs/dbraw/zinc/03/87/13/396038713.db2.gz VFMZMGGNAFDPNY-OLZOCXBDSA-N 0 0 317.393 0.513 50 0 DCAARN CN(Cc1nc2ccccc2[nH]1)C(=O)C[C@@H]1C(=O)NCCN1C ZINC000067967555 396040182 /nfs/dbraw/zinc/04/01/82/396040182.db2.gz ZCPPUOFSFGCCOF-CYBMUJFWSA-N 0 0 315.377 0.342 50 0 DCAARN O=C(Cn1cnnn1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000068031494 396042685 /nfs/dbraw/zinc/04/26/85/396042685.db2.gz UYIRAYVRJAMBNQ-NSHDSACASA-N 0 0 311.349 0.956 50 0 DCAARN Cc1nc(CN2CCC[C@H](N(C)[C@H]3C[C@H](C)OC3=O)C2)no1 ZINC000257365645 396047003 /nfs/dbraw/zinc/04/70/03/396047003.db2.gz CYKUPQXYNMCGJM-DRZSPHRISA-N 0 0 308.382 0.978 50 0 DCAARN COCCN1C[C@@H](NC(=O)c2ccc3nccn3c2)CC1=O ZINC000252491996 396020880 /nfs/dbraw/zinc/02/08/80/396020880.db2.gz MAUHKYXIHCQKLY-LBPRGKRZSA-N 0 0 302.334 0.311 50 0 DCAARN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)cc(F)c1 ZINC000166879526 396089269 /nfs/dbraw/zinc/08/92/69/396089269.db2.gz GSPHLGYUTFGPKU-NSHDSACASA-N 0 0 311.288 0.640 50 0 DCAARN c1ncn(C[C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000069842325 396092181 /nfs/dbraw/zinc/09/21/81/396092181.db2.gz SAJPTOICXRWSMT-CQSZACIVSA-N 0 0 316.361 0.950 50 0 DCAARN CCc1nnc2n1CCN([C@@H](C)C(=O)Nc1cc(C)no1)C2 ZINC000069849064 396092344 /nfs/dbraw/zinc/09/23/44/396092344.db2.gz ITDUAYNODALISV-JTQLQIEISA-N 0 0 304.354 0.980 50 0 DCAARN COCCC1(NC(=O)C2CC2)CCN(S(C)(=O)=O)CC1 ZINC000169787389 396092864 /nfs/dbraw/zinc/09/28/64/396092864.db2.gz FZZTXPLBLLYCMT-UHFFFAOYSA-N 0 0 304.412 0.343 50 0 DCAARN COCc1nc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)no1 ZINC000170091111 396094372 /nfs/dbraw/zinc/09/43/72/396094372.db2.gz JNIGSAZLSXNZKN-UHFFFAOYSA-N 0 0 307.281 0.699 50 0 DCAARN O=C(CO)N1CCN(c2cc(Br)ccn2)CC1 ZINC000170083843 396094458 /nfs/dbraw/zinc/09/44/58/396094458.db2.gz VPNRBMNMYFFGKT-UHFFFAOYSA-N 0 0 300.156 0.485 50 0 DCAARN Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1CCC(=O)N1)CC2 ZINC000170653715 396096857 /nfs/dbraw/zinc/09/68/57/396096857.db2.gz YGRPITVKAGXKOM-GFCCVEGCSA-N 0 0 301.346 0.279 50 0 DCAARN COCCN1CCN(CC(=O)N(C)Cc2ccco2)C[C@H]1C ZINC000070006262 396097005 /nfs/dbraw/zinc/09/70/05/396097005.db2.gz WBNFCZLGIZDWJJ-CQSZACIVSA-N 0 0 309.410 0.891 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)COCCOc2ccccc2)CC1 ZINC000070020714 396098413 /nfs/dbraw/zinc/09/84/13/396098413.db2.gz LGAAZTWFWBHGBA-HNNXBMFYSA-N 0 0 322.405 0.607 50 0 DCAARN COc1ccc(CCNC(=O)C2CN(S(C)(=O)=O)C2)cc1 ZINC000070817326 396105412 /nfs/dbraw/zinc/10/54/12/396105412.db2.gz ZJQFJARJWNJZTK-UHFFFAOYSA-N 0 0 312.391 0.245 50 0 DCAARN O=C([O-])[C@@H](CC(=O)Nc1cccc(O)c1)C[NH+]1CCOCC1 ZINC000071283530 396112105 /nfs/dbraw/zinc/11/21/05/396112105.db2.gz SKKJEUBIZISPFK-NSHDSACASA-N 0 0 308.334 0.754 50 0 DCAARN Cc1cc(C)n(NC(=O)[C@@H]2CCCCn3nnnc32)c(=O)c1 ZINC000071777007 396114421 /nfs/dbraw/zinc/11/44/21/396114421.db2.gz NPYFWUNHPLPZJE-LLVKDONJSA-N 0 0 302.338 0.489 50 0 DCAARN CCO[C@@H]1C[C@H]1C(=O)N1CCN(c2nccc(OC)n2)CC1 ZINC000071819949 396115975 /nfs/dbraw/zinc/11/59/75/396115975.db2.gz LIVXEFXIURBVLD-VXGBXAGGSA-N 0 0 306.366 0.559 50 0 DCAARN Cc1ccc2oc(=O)n(CN(C)[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000071817262 396116213 /nfs/dbraw/zinc/11/62/13/396116213.db2.gz XWWQDBDVPQSJLO-NSHDSACASA-N 0 0 310.375 0.979 50 0 DCAARN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-n2cccn2)nc1 ZINC000071829663 396116713 /nfs/dbraw/zinc/11/67/13/396116713.db2.gz UCRCKXQQHLUDQB-YPMHNXCESA-N 0 0 313.361 0.993 50 0 DCAARN NC(=O)[C@H](CNC(=O)[C@@H]1COCCO1)Cc1ccc(F)cc1 ZINC000071826877 396117032 /nfs/dbraw/zinc/11/70/32/396117032.db2.gz WZMLTIQPOKUBPK-AAEUAGOBSA-N 0 0 310.325 0.001 50 0 DCAARN COCCOc1ncccc1C(=O)N1CCCn2ncnc21 ZINC000071839379 396117747 /nfs/dbraw/zinc/11/77/47/396117747.db2.gz FDLZXVJWVUPJJX-UHFFFAOYSA-N 0 0 303.322 0.749 50 0 DCAARN NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000071832838 396118031 /nfs/dbraw/zinc/11/80/31/396118031.db2.gz REQBPMZVELLCMA-ZDUSSCGKSA-N 0 0 320.374 0.511 50 0 DCAARN CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(C3CC3)C1)C2 ZINC000071864900 396119836 /nfs/dbraw/zinc/11/98/36/396119836.db2.gz OJHSMNDMEBSSMV-LLVKDONJSA-N 0 0 317.393 0.755 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)Cc2noc3ccccc32)CC1 ZINC000071871062 396120286 /nfs/dbraw/zinc/12/02/86/396120286.db2.gz BNYLHOVMCYBCCA-LBPRGKRZSA-N 0 0 303.362 0.895 50 0 DCAARN C[C@H](O)CN1CCN(CC(=O)N2CCc3ccccc3C2)CC1 ZINC000071877451 396121602 /nfs/dbraw/zinc/12/16/02/396121602.db2.gz YBPWERGIVJMPTA-HNNXBMFYSA-N 0 0 317.433 0.570 50 0 DCAARN C[C@H](O)CN1CCN([C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000071877429 396121853 /nfs/dbraw/zinc/12/18/53/396121853.db2.gz LRYZNOTXXUKNOG-HOCLYGCPSA-N 0 0 305.422 0.814 50 0 DCAARN CS(=O)(=O)NCCSc1nnnn1C1CCCCC1 ZINC000071884073 396123795 /nfs/dbraw/zinc/12/37/95/396123795.db2.gz WTCNLTHWWYBMGY-UHFFFAOYSA-N 0 0 305.429 0.820 50 0 DCAARN O=c1n(CCSc2ncnc3[nH]cnc32)nc2ccccn21 ZINC000071905435 396124168 /nfs/dbraw/zinc/12/41/68/396124168.db2.gz BDMCFWLOSGNBFD-UHFFFAOYSA-N 0 0 313.346 0.955 50 0 DCAARN CCCOC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@H](C)O ZINC000071921348 396125443 /nfs/dbraw/zinc/12/54/43/396125443.db2.gz NSCRCESGDOWOKW-WCBMZHEXSA-N 0 0 307.393 0.729 50 0 DCAARN CC[C@H](C)NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000071921710 396125542 /nfs/dbraw/zinc/12/55/42/396125542.db2.gz QQXVCQSIIWUOEL-NSHDSACASA-N 0 0 313.398 0.980 50 0 DCAARN COc1ncccc1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000072269401 396129115 /nfs/dbraw/zinc/12/91/15/396129115.db2.gz VFHDRHREPOGCFA-UONOGXRCSA-N 0 0 305.378 0.761 50 0 DCAARN CCn1nc2c(cc1=O)CN(CC(=O)NCc1ccco1)CC2 ZINC000072302257 396130788 /nfs/dbraw/zinc/13/07/88/396130788.db2.gz BHFQWMZYDKLRHK-UHFFFAOYSA-N 0 0 316.361 0.531 50 0 DCAARN CCNC(=O)Cc1ccc(NC(=O)N[C@H]2CCCNC2=O)cc1 ZINC000069349079 396076117 /nfs/dbraw/zinc/07/61/17/396076117.db2.gz DIJPITOFLHWPEE-ZDUSSCGKSA-N 0 0 318.377 0.765 50 0 DCAARN COC(=O)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C ZINC000069438240 396079008 /nfs/dbraw/zinc/07/90/08/396079008.db2.gz HHVHCAVOWJGYJC-DTWKUNHWSA-N 0 0 318.395 0.974 50 0 DCAARN CCN1C[C@H](C(=O)N(C)CC(=O)Nc2cc(C)ccn2)CC1=O ZINC000069570721 396083612 /nfs/dbraw/zinc/08/36/12/396083612.db2.gz DOSKGWFVBJDPIX-GFCCVEGCSA-N 0 0 318.377 0.655 50 0 DCAARN NC(=O)[C@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)CCO1 ZINC000069621619 396084499 /nfs/dbraw/zinc/08/44/99/396084499.db2.gz OQWQVDDZCBOBLW-SECBINFHSA-N 0 0 322.745 0.354 50 0 DCAARN COc1ccc2c(c1)CCCN(CC(=O)N1CCNC1=O)C2 ZINC000069596587 396084614 /nfs/dbraw/zinc/08/46/14/396084614.db2.gz PJOOMWMEQULWCE-UHFFFAOYSA-N 0 0 303.362 0.995 50 0 DCAARN CN(Cc1ccco1)C(=O)CN1CCC[C@H]1Cn1cncn1 ZINC000069617581 396084619 /nfs/dbraw/zinc/08/46/19/396084619.db2.gz UQAYAOWHYOFNGG-ZDUSSCGKSA-N 0 0 303.366 0.994 50 0 DCAARN Cc1ccc(C(=O)NC[C@@H](O)COc2ccccc2)c(=O)[nH]1 ZINC000075119759 396176619 /nfs/dbraw/zinc/17/66/19/396176619.db2.gz CWQIETJLUHPZES-GFCCVEGCSA-N 0 0 302.330 0.853 50 0 DCAARN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cn[nH]n1 ZINC000076018833 396191855 /nfs/dbraw/zinc/19/18/55/396191855.db2.gz ZMRUMMHYLHCHRG-SNVBAGLBSA-N 0 0 305.725 0.993 50 0 DCAARN Cn1cc(NC(=O)Cc2c[nH]c3ccccc23)c(=O)n(C)c1=O ZINC000076019059 396192005 /nfs/dbraw/zinc/19/20/05/396192005.db2.gz AQXGIUMDMYDSEN-UHFFFAOYSA-N 0 0 312.329 0.747 50 0 DCAARN Cc1nnc([C@@H]2CN(CC(=O)NCc3cccs3)CCO2)[nH]1 ZINC000076049003 396194275 /nfs/dbraw/zinc/19/42/75/396194275.db2.gz NOSQMUMAKXNJIE-LBPRGKRZSA-N 0 0 321.406 0.864 50 0 DCAARN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)C[C@H]1N1CCOCC1 ZINC000076052519 396194954 /nfs/dbraw/zinc/19/49/54/396194954.db2.gz CPDDEVQMVJGBTP-DTZQCDIJSA-N 0 0 318.421 0.703 50 0 DCAARN Cc1noc(CCCC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000076052234 396195020 /nfs/dbraw/zinc/19/50/20/396195020.db2.gz UYBHZGUCXBRHMJ-JSGCOSHPSA-N 0 0 322.409 0.880 50 0 DCAARN Cn1nc2c(cc1=O)CN(CC[S@@](=O)c1ccccc1)CC2 ZINC000076064727 396195756 /nfs/dbraw/zinc/19/57/56/396195756.db2.gz BOLKAADGNVHQDX-QFIPXVFZSA-N 0 0 317.414 0.946 50 0 DCAARN C[C@H](Cn1cncn1)NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000263937726 396244115 /nfs/dbraw/zinc/24/41/15/396244115.db2.gz FVVXAFKELHAUNK-VXGBXAGGSA-N 0 0 303.370 0.979 50 0 DCAARN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCCS2(=O)=O)C1 ZINC000078442054 396245370 /nfs/dbraw/zinc/24/53/70/396245370.db2.gz PLBNNZLRHPETDA-LLVKDONJSA-N 0 0 316.423 0.833 50 0 DCAARN COC(=O)c1ccc(S(=O)(=O)N2CCCn3ncnc32)cc1 ZINC000078556768 396247697 /nfs/dbraw/zinc/24/76/97/396247697.db2.gz KZLISDLYRNHOLR-UHFFFAOYSA-N 0 0 322.346 0.664 50 0 DCAARN Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(CCO)CC1 ZINC000078762575 396253332 /nfs/dbraw/zinc/25/33/32/396253332.db2.gz KWFZHFXDTPTXCE-UHFFFAOYSA-N 0 0 322.453 0.835 50 0 DCAARN COc1ccc(-c2noc(CCN3C(=O)CCC3=O)n2)cn1 ZINC000078774719 396253588 /nfs/dbraw/zinc/25/35/88/396253588.db2.gz UNHFHPUWQIZMHX-UHFFFAOYSA-N 0 0 302.290 0.832 50 0 DCAARN CC(C)c1nc(CN(C)[C@H]2CCN(CC(=O)N(C)C)C2)no1 ZINC000078891664 396255767 /nfs/dbraw/zinc/25/57/67/396255767.db2.gz NLJZZWYROKRYII-LBPRGKRZSA-N 0 0 309.414 0.787 50 0 DCAARN CS(=O)(=O)CCC(=O)NCc1ccc(-n2cccn2)cc1 ZINC000078901385 396257611 /nfs/dbraw/zinc/25/76/11/396257611.db2.gz GABLGTKQELKWPO-UHFFFAOYSA-N 0 0 307.375 0.923 50 0 DCAARN COC(=O)[C@H](NC(=O)CN1CCCNC1=O)c1ccccc1F ZINC000079094283 396261084 /nfs/dbraw/zinc/26/10/84/396261084.db2.gz RJXSJZSXVXIYIN-CYBMUJFWSA-N 0 0 323.324 0.571 50 0 DCAARN Cn1ccnc1CNC(=O)N1CCN(c2ccccn2)CC1 ZINC000264227840 396263671 /nfs/dbraw/zinc/26/36/71/396263671.db2.gz VIQBWLZJYJZEJO-UHFFFAOYSA-N 0 0 300.366 0.847 50 0 DCAARN C[C@H]1CN=C(N2CCN(C[C@@H](O)Cn3cccn3)CC2)S1 ZINC000079497139 396266200 /nfs/dbraw/zinc/26/62/00/396266200.db2.gz HDPNWYWAENKUIG-QWHCGFSZSA-N 0 0 309.439 0.353 50 0 DCAARN O=C(CCNC(=O)c1ccccc1F)N1CCOC[C@H](CO)C1 ZINC000077287485 396217349 /nfs/dbraw/zinc/21/73/49/396217349.db2.gz IUNMTMDUMSUBLJ-LBPRGKRZSA-N 0 0 324.352 0.413 50 0 DCAARN O=C([O-])c1ccc(C[NH+]2CCN(CCn3cncn3)CC2)cc1 ZINC000077437382 396222061 /nfs/dbraw/zinc/22/20/61/396222061.db2.gz XCZHTGSKKBFEOA-UHFFFAOYSA-N 0 0 315.377 0.794 50 0 DCAARN Cc1cccnc1N1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1 ZINC000077556055 396226581 /nfs/dbraw/zinc/22/65/81/396226581.db2.gz NBIJGGORWYZUPJ-UHFFFAOYSA-N 0 0 315.333 0.141 50 0 DCAARN Cc1nc(S(=O)(=O)N2CCN(Cc3ccc[nH]3)CC2)cn1C ZINC000190691195 396410584 /nfs/dbraw/zinc/41/05/84/396410584.db2.gz SDOCWYOHKJZDGA-UHFFFAOYSA-N 0 0 323.422 0.563 50 0 DCAARN CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)O ZINC000191898053 396426296 /nfs/dbraw/zinc/42/62/96/396426296.db2.gz YVKKJQYCNRIMIR-KRWDZBQOSA-N 0 0 306.406 0.853 50 0 DCAARN Cn1nc2c(cc1=O)CN(C(=O)C[C@@H](O)CC(C)(C)C)CC2 ZINC000291905743 396519042 /nfs/dbraw/zinc/51/90/42/396519042.db2.gz KODDZLHDEZHLAS-GFCCVEGCSA-N 0 0 307.394 0.852 50 0 DCAARN COCCOCCS(=O)(=O)N1C[C@@H](CO)c2ccccc21 ZINC000292816499 396570493 /nfs/dbraw/zinc/57/04/93/396570493.db2.gz TZUVWPSELVRJHU-LBPRGKRZSA-N 0 0 315.391 0.575 50 0 DCAARN CCc1nc(C)c(CC(=O)N[C@@H]2CCc3c[nH]nc3C2)c(=O)[nH]1 ZINC000584884166 396631439 /nfs/dbraw/zinc/63/14/39/396631439.db2.gz QATFCIBYFRKASD-LLVKDONJSA-N 0 0 315.377 0.992 50 0 DCAARN CC(C)(C)NC(=O)CN1CCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC000584887279 396632384 /nfs/dbraw/zinc/63/23/84/396632384.db2.gz UMJVTERQQLFNSW-UHFFFAOYSA-N 0 0 320.393 0.460 50 0 DCAARN Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000584888818 396632909 /nfs/dbraw/zinc/63/29/09/396632909.db2.gz ARNYXTGIJWVXRV-NSHDSACASA-N 0 0 320.349 0.395 50 0 DCAARN CCc1ccc(CN(C)C(=O)NCc2noc(C(N)=O)n2)nc1 ZINC000584895649 396634974 /nfs/dbraw/zinc/63/49/74/396634974.db2.gz WJQDUTBKBZJPNH-UHFFFAOYSA-N 0 0 318.337 0.468 50 0 DCAARN CN(C)C(=O)NCC(=O)N1CCC2(CC1)CCNC(=O)CC2 ZINC000584893911 396635007 /nfs/dbraw/zinc/63/50/07/396635007.db2.gz ZFKCCQNFKYKFHK-UHFFFAOYSA-N 0 0 310.398 0.167 50 0 DCAARN CN(Cc1nncn1C)C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000584893916 396635010 /nfs/dbraw/zinc/63/50/10/396635010.db2.gz URXQDNQBEVDPIY-UHFFFAOYSA-N 0 0 312.333 0.334 50 0 DCAARN CNC(=O)c1ccc(CNC(=O)N(C)C[C@H]2COCCO2)cc1 ZINC000584900281 396636322 /nfs/dbraw/zinc/63/63/22/396636322.db2.gz CEDPRFMJCSIZRF-AWEZNQCLSA-N 0 0 321.377 0.603 50 0 DCAARN Cc1ocnc1C(=O)N1CCC2(CC1)N=C(N(C)C)NC2=O ZINC000584904193 396637724 /nfs/dbraw/zinc/63/77/24/396637724.db2.gz IXYGPUDMYZXDNA-UHFFFAOYSA-N 0 0 305.338 0.005 50 0 DCAARN O=C(COc1ccccc1F)N[C@@H](CO)[C@H](O)c1ccccn1 ZINC000585134094 396640652 /nfs/dbraw/zinc/64/06/52/396640652.db2.gz DMEAOHJSEZAKIT-XJKSGUPXSA-N 0 0 320.320 0.810 50 0 DCAARN CCNS(=O)(=O)[C@H]1CCN(C[C@](C)(O)C(F)(F)F)C1 ZINC000375622953 396782632 /nfs/dbraw/zinc/78/26/32/396782632.db2.gz DGCXYBYQLXWQGX-IUCAKERBSA-N 0 0 304.334 0.313 50 0 DCAARN NC(=O)c1coc(CNC(=O)C[C@@H]2COc3ccccc3O2)n1 ZINC000617487183 396735990 /nfs/dbraw/zinc/73/59/90/396735990.db2.gz QFYPABODDHVYEX-SECBINFHSA-N 0 0 317.301 0.620 50 0 DCAARN O=C(CN1CCOCC1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000331956538 396877983 /nfs/dbraw/zinc/87/79/83/396877983.db2.gz RWFICPJLYPZVRJ-LSDHHAIUSA-N 0 0 308.353 0.792 50 0 DCAARN C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000573910523 397217075 /nfs/dbraw/zinc/21/70/75/397217075.db2.gz XHFJDSIKRZCPIH-NSHDSACASA-N 0 0 313.398 0.108 50 0 DCAARN CC(C)CN1C[C@H](C(=O)NC2CCS(=O)(=O)CC2)CC1=O ZINC000613759007 397315831 /nfs/dbraw/zinc/31/58/31/397315831.db2.gz NBQHMNSFCGHAAY-LLVKDONJSA-N 0 0 316.423 0.184 50 0 DCAARN CNC(=O)CN1CCCN(C(=O)[C@@H]2CSCCS2)CC1 ZINC000365912381 397332927 /nfs/dbraw/zinc/33/29/27/397332927.db2.gz PAIFIIHPGHHFIV-NSHDSACASA-N 0 0 317.480 0.115 50 0 DCAARN O[C@@H](COc1ccc(-c2nnco2)cc1)CN1CCOCC1 ZINC000019908913 296561852 /nfs/dbraw/zinc/56/18/52/296561852.db2.gz NKUKGAFZZSRQMB-CYBMUJFWSA-N 0 0 305.334 0.809 50 0 DCAARN O=C(NC[C@]1(O)C=CCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000606440383 397681311 /nfs/dbraw/zinc/68/13/11/397681311.db2.gz JIPCSGHFJZKHCH-INIZCTEOSA-N 0 0 318.329 0.941 50 0 DCAARN CCn1nncc1C(=O)N1CCN(c2cnccc2C)CC1 ZINC000329210459 159073404 /nfs/dbraw/zinc/07/34/04/159073404.db2.gz ZOPGXDDITSLYLH-UHFFFAOYSA-N 0 0 300.366 0.964 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCOc2cc(O)ccc2C1 ZINC000329350056 159084792 /nfs/dbraw/zinc/08/47/92/159084792.db2.gz DDTXXZITIPCEIS-JTQLQIEISA-N 0 0 305.290 0.756 50 0 DCAARN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](F)C[C@H]1CO ZINC000329444241 159093586 /nfs/dbraw/zinc/09/35/86/159093586.db2.gz NPZRTDIIFNJSKG-WUHRBBMRSA-N 0 0 311.357 0.912 50 0 DCAARN C[C@H](C(F)(F)F)S(=O)(=O)N1CCOC[C@@]12CCOC2 ZINC000195482772 298231924 /nfs/dbraw/zinc/23/19/24/298231924.db2.gz ZGOOTPBVSIEELX-BDAKNGLRSA-N 0 0 303.302 0.758 50 0 DCAARN CC[C@]1(C)COCCN1C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000330621969 159204277 /nfs/dbraw/zinc/20/42/77/159204277.db2.gz CAQUNOKSSAGWTG-CQSZACIVSA-N 0 0 309.370 0.007 50 0 DCAARN C[C@@H]1CN(c2ccnc3c2c(=O)n(C)c(=O)n3C)C[C@@H](C)O1 ZINC000012227239 415151542 /nfs/dbraw/zinc/15/15/42/415151542.db2.gz ZNSXQVCVDGITFH-NXEZZACHSA-N 0 0 304.350 0.246 50 0 DCAARN CC(C)Cn1c(N)c(C(=O)CN2CCCCC2)c(=O)n(C)c1=O ZINC000016442075 415154859 /nfs/dbraw/zinc/15/48/59/415154859.db2.gz VTSXTDHTUGNVIF-UHFFFAOYSA-N 0 0 322.409 0.454 50 0 DCAARN COc1ccccc1[C@H](C)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000025110796 415159970 /nfs/dbraw/zinc/15/99/70/415159970.db2.gz STOMZVZRLFOQQS-NSHDSACASA-N 0 0 317.345 0.765 50 0 DCAARN Cc1noc(COC(=O)Cc2nn(C)c(=O)c3ccccc23)n1 ZINC000025448230 415163277 /nfs/dbraw/zinc/16/32/77/415163277.db2.gz RVAQHZNTSSRYIG-UHFFFAOYSA-N 0 0 314.301 0.911 50 0 DCAARN CN(CC(=O)Nc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000007014697 415137546 /nfs/dbraw/zinc/13/75/46/415137546.db2.gz ZTGSFQAGMYCMGC-LBPRGKRZSA-N 0 0 300.355 0.883 50 0 DCAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCC(N)=O)C1=O ZINC000007206493 415137793 /nfs/dbraw/zinc/13/77/93/415137793.db2.gz BQWBBLDNCIBXAV-CQSZACIVSA-N 0 0 305.290 0.058 50 0 DCAARN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc1ccccn1 ZINC000007129739 415138064 /nfs/dbraw/zinc/13/80/64/415138064.db2.gz IQIITQFTKFHPHA-UHFFFAOYSA-N 0 0 324.340 0.791 50 0 DCAARN CS(=O)(=O)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC000007736493 415139861 /nfs/dbraw/zinc/13/98/61/415139861.db2.gz CMZQEDVMARRQNX-NSHDSACASA-N 0 0 305.352 0.902 50 0 DCAARN CC[C@H](Sc1nc2c(cnn2CCO)c(=O)[nH]1)C(=O)OC ZINC000007418160 415141274 /nfs/dbraw/zinc/14/12/74/415141274.db2.gz WHELFYBPTMKILS-QMMMGPOBSA-N 0 0 312.351 0.156 50 0 DCAARN CO[C@@H]1O[C@@H](CF)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000025628132 415165889 /nfs/dbraw/zinc/16/58/89/415165889.db2.gz CMWVMIMZFZXIIK-IEECTRCBSA-N 0 0 322.285 0.122 50 0 DCAARN CN(C)C(=O)CN(C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000026882402 415168908 /nfs/dbraw/zinc/16/89/08/415168908.db2.gz BVRINZJLJSNUBC-UHFFFAOYSA-N 0 0 308.769 0.868 50 0 DCAARN COC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000027472436 415171849 /nfs/dbraw/zinc/17/18/49/415171849.db2.gz VJIXYEADYDSHEQ-ZJUUUORDSA-N 0 0 318.370 0.644 50 0 DCAARN O=C(CCN1C(=O)CCC1=O)NCCOc1cccc(F)c1 ZINC000027714686 415173586 /nfs/dbraw/zinc/17/35/86/415173586.db2.gz CZPOXSFOXFLDTP-UHFFFAOYSA-N 0 0 308.309 0.860 50 0 DCAARN CC(C)CN(CC(N)=O)S(=O)(=O)N(C)C1CCCCC1 ZINC000030337303 415182808 /nfs/dbraw/zinc/18/28/08/415182808.db2.gz QAIFIGYBUTUCHF-UHFFFAOYSA-N 0 0 305.444 0.939 50 0 DCAARN O=C(CCN1CCSC1=O)N1CCN(c2cnccn2)CC1 ZINC000044896652 415232859 /nfs/dbraw/zinc/23/28/59/415232859.db2.gz LUAGWQWABQQTRT-UHFFFAOYSA-N 0 0 321.406 0.684 50 0 DCAARN Cc1cc(=O)n2nc(N3CCC[C@@H]3C(=O)NC3CC3)sc2n1 ZINC000044913949 415232955 /nfs/dbraw/zinc/23/29/55/415232955.db2.gz UMTSCBCWGJOMKA-SNVBAGLBSA-N 0 0 319.390 0.707 50 0 DCAARN Cc1noc(CCCC(=O)NC[C@H]2CCS(=O)(=O)C2)n1 ZINC000044939672 415233922 /nfs/dbraw/zinc/23/39/22/415233922.db2.gz NKEHJXPTITZFOD-SNVBAGLBSA-N 0 0 301.368 0.252 50 0 DCAARN Cc1ccn2c(c1)ncc(C(=O)NCCN1CCOCC1)c2=O ZINC000044942654 415236079 /nfs/dbraw/zinc/23/60/79/415236079.db2.gz ZNDHDNFYDOBXKG-UHFFFAOYSA-N 0 0 316.361 0.065 50 0 DCAARN Cc1ccc(S(=O)(=O)N[C@H](C)Cn2cccn2)cc1C(N)=O ZINC000044935925 415236626 /nfs/dbraw/zinc/23/66/26/415236626.db2.gz XXDHJKZXFKYCHH-LLVKDONJSA-N 0 0 322.390 0.657 50 0 DCAARN Cc1ccc(CN(C(=O)Cn2ccc(=O)n(C)c2=O)C2CC2)o1 ZINC000044969268 415238446 /nfs/dbraw/zinc/23/84/46/415238446.db2.gz ZKJKEBBBXQNVGY-UHFFFAOYSA-N 0 0 317.345 0.640 50 0 DCAARN C[C@@H]1CN(CCNC(=O)NCCCn2cccn2)C[C@@H](C)O1 ZINC000044953780 415239296 /nfs/dbraw/zinc/23/92/96/415239296.db2.gz QXFFAOMCXKEKEF-ZIAGYGMSSA-N 0 0 309.414 0.682 50 0 DCAARN COc1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cn1 ZINC000044950925 415239512 /nfs/dbraw/zinc/23/95/12/415239512.db2.gz LWKLVBUWNMYMRZ-UHFFFAOYSA-N 0 0 314.367 0.199 50 0 DCAARN C[C@@H](C(=O)NCCN1CCc2ccccc2C1)S(C)(=O)=O ZINC000044952173 415239725 /nfs/dbraw/zinc/23/97/25/415239725.db2.gz FWTCKUNVHDHLOF-LBPRGKRZSA-N 0 0 310.419 0.594 50 0 DCAARN CC(=O)N1CCC(NC(=O)NCCNc2cnccn2)CC1 ZINC000044966729 415240010 /nfs/dbraw/zinc/24/00/10/415240010.db2.gz OYSJBEUUHVGBSR-UHFFFAOYSA-N 0 0 306.370 0.199 50 0 DCAARN Cc1ccoc1CNC(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000332098525 415243739 /nfs/dbraw/zinc/24/37/39/415243739.db2.gz BGEOHYZGYIHHJQ-UHFFFAOYSA-N 0 0 302.334 0.950 50 0 DCAARN O=C(CS(=O)(=O)Cc1ccccc1)N[C@H]1CCCCNC1=O ZINC000046107582 415254786 /nfs/dbraw/zinc/25/47/86/415254786.db2.gz RQLBOKPFYLSYEC-ZDUSSCGKSA-N 0 0 324.402 0.386 50 0 DCAARN Cn1cc(S(=O)(=O)NCCN2CCCCCC2=O)cn1 ZINC000046034337 415255816 /nfs/dbraw/zinc/25/58/16/415255816.db2.gz QNXOKHJTPUCPBQ-UHFFFAOYSA-N 0 0 300.384 0.101 50 0 DCAARN O=C(NCc1cccnc1N1CCOCC1)Nc1cn[nH]c1 ZINC000045968174 415256903 /nfs/dbraw/zinc/25/69/03/415256903.db2.gz SSUCNMIGKFBHDL-UHFFFAOYSA-N 0 0 302.338 0.963 50 0 DCAARN C[C@@H](CNC(=O)Cn1ccccc1=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000047494422 415271510 /nfs/dbraw/zinc/27/15/10/415271510.db2.gz BGYWMPQCKDNNIW-BFHYXJOUSA-N 0 0 307.394 0.462 50 0 DCAARN Cc1nn(C)c(Cl)c1C(=O)NCCCNS(C)(=O)=O ZINC000044706745 415226927 /nfs/dbraw/zinc/22/69/27/415226927.db2.gz BKOQVMJXZOTTRF-UHFFFAOYSA-N 0 0 308.791 0.051 50 0 DCAARN O=C(/C=C/c1ccc2c(c1)CCO2)N[C@@H]1CCS(=O)(=O)C1 ZINC000044893221 415228758 /nfs/dbraw/zinc/22/87/58/415228758.db2.gz FVJXCPXLWMJJQM-CXLRFSCWSA-N 0 0 307.371 0.938 50 0 DCAARN C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1cccnc1 ZINC000044894773 415229769 /nfs/dbraw/zinc/22/97/69/415229769.db2.gz WLRRXONHZAOEJV-LLVKDONJSA-N 0 0 311.407 0.930 50 0 DCAARN COc1cccc(CN(C)S(=O)(=O)N2CCOCC2)c1 ZINC000044896129 415230765 /nfs/dbraw/zinc/23/07/65/415230765.db2.gz WKSZJQWLKIDMDJ-UHFFFAOYSA-N 0 0 300.380 0.704 50 0 DCAARN Cc1cn2c(n1)CC[C@H](NC(=O)c1cccnc1-n1cncn1)C2 ZINC000065457349 415355924 /nfs/dbraw/zinc/35/59/24/415355924.db2.gz MCQKQNISOCCABA-LBPRGKRZSA-N 0 0 323.360 0.912 50 0 DCAARN NC(=O)NCCC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000048355904 415289868 /nfs/dbraw/zinc/28/98/68/415289868.db2.gz QKBLTKFVNQAUEI-NSHDSACASA-N 0 0 320.397 0.726 50 0 DCAARN NC(=O)NCCC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000048355905 415292157 /nfs/dbraw/zinc/29/21/57/415292157.db2.gz QKBLTKFVNQAUEI-LLVKDONJSA-N 0 0 320.397 0.726 50 0 DCAARN C[C@H](C(=O)NCc1ccc(-n2cccn2)cc1)S(C)(=O)=O ZINC000049744611 415309825 /nfs/dbraw/zinc/30/98/25/415309825.db2.gz PMSRHQDZXJYJDC-LLVKDONJSA-N 0 0 307.375 0.922 50 0 DCAARN CCO[C@H](C)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 ZINC000058953000 415343714 /nfs/dbraw/zinc/34/37/14/415343714.db2.gz AWEIRIWIVMJWDF-CQSZACIVSA-N 0 0 313.442 0.814 50 0 DCAARN C[N@@H+]1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C[C@H]1C(=O)[O-] ZINC000067934712 415391371 /nfs/dbraw/zinc/39/13/71/415391371.db2.gz PKYDMQMEHHRFOD-ZDUSSCGKSA-N 0 0 319.361 0.095 50 0 DCAARN C[C@H](C(N)=O)S(=O)(=O)c1n[nH]c(CCC2CCCC2)n1 ZINC000069300237 415397277 /nfs/dbraw/zinc/39/72/77/415397277.db2.gz DPBPTCZFIGQXQW-MRVPVSSYSA-N 0 0 300.384 0.575 50 0 DCAARN Cc1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)n1 ZINC000069482357 415397332 /nfs/dbraw/zinc/39/73/32/415397332.db2.gz YFLKOUZCNLLQBL-KBPBESRZSA-N 0 0 323.418 0.381 50 0 DCAARN COCCN(C)S(=O)(=O)NC[C@H](c1cccs1)N(C)C ZINC000069738023 415401191 /nfs/dbraw/zinc/40/11/91/415401191.db2.gz XUTJLLCRWMYAFR-LLVKDONJSA-N 0 0 321.468 0.763 50 0 DCAARN COC[C@H]1CN(C(=O)CN2Cc3ccccc3C2=O)C[C@@H](C)O1 ZINC000276027629 415414420 /nfs/dbraw/zinc/41/44/20/415414420.db2.gz PRUONRJXJRWDFM-TZMCWYRMSA-N 0 0 318.373 0.905 50 0 DCAARN COC[C@H]1CN(C(=O)CN2Cc3ccccc3C2=O)C[C@H](C)O1 ZINC000276027619 415415365 /nfs/dbraw/zinc/41/53/65/415415365.db2.gz PRUONRJXJRWDFM-GXTWGEPZSA-N 0 0 318.373 0.905 50 0 DCAARN COCCNC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000066982320 415371367 /nfs/dbraw/zinc/37/13/67/415371367.db2.gz LRZPEFWNDYHULA-UHFFFAOYSA-N 0 0 323.368 0.868 50 0 DCAARN COc1cc(C(=O)NCc2ccc3nonc3c2)nc(OC)n1 ZINC000067542014 415377721 /nfs/dbraw/zinc/37/77/21/415377721.db2.gz LVTNRKOQMLAQDN-UHFFFAOYSA-N 0 0 315.289 0.960 50 0 DCAARN CCn1cc(S(=O)(=O)NCC[C@@H]2CN(CC)CCO2)cn1 ZINC000067677176 415378613 /nfs/dbraw/zinc/37/86/13/415378613.db2.gz VWONHVCLMNNPGR-GFCCVEGCSA-N 0 0 316.427 0.292 50 0 DCAARN Cc1ccc(C(=O)N2CCC3(CC2)C(=O)NCCN3C)cc1O ZINC000067677615 415381089 /nfs/dbraw/zinc/38/10/89/415381089.db2.gz QJGRSHLRKPWLFO-UHFFFAOYSA-N 0 0 317.389 0.737 50 0 DCAARN Cc1ccc(C2(O)CCN(C(=O)CN3CCOC3=O)CC2)nc1 ZINC000067679245 415383163 /nfs/dbraw/zinc/38/31/63/415383163.db2.gz WNXUKWKZXHIOLF-UHFFFAOYSA-N 0 0 319.361 0.652 50 0 DCAARN COc1ccc(OC)c(CC(=O)N2CC[N@H+](C)[C@H](C(=O)[O-])C2)c1 ZINC000067689154 415383808 /nfs/dbraw/zinc/38/38/08/415383808.db2.gz GEOAKFVBNONMCB-ZDUSSCGKSA-N 0 0 322.361 0.474 50 0 DCAARN O=S(=O)(c1cc2ccccc2o1)N1CCC(O)(CO)CC1 ZINC000067725834 415385452 /nfs/dbraw/zinc/38/54/52/415385452.db2.gz JHKUQJJIAXBCSC-UHFFFAOYSA-N 0 0 311.359 0.941 50 0 DCAARN CC[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@@H]1N1CCOCC1 ZINC000084735731 415501536 /nfs/dbraw/zinc/50/15/36/415501536.db2.gz KCFNHNLSFLDWAK-KFWWJZLASA-N 0 0 323.437 0.424 50 0 DCAARN Cc1cc(C)c(CNC(=O)NCCc2cnn(C)c2)c(=O)[nH]1 ZINC000075117936 415436288 /nfs/dbraw/zinc/43/62/88/415436288.db2.gz IZWCVVPYUIFHEU-UHFFFAOYSA-N 0 0 303.366 0.767 50 0 DCAARN C[C@](O)(CNC(=O)c1cnccn1)c1ccc2c(c1)OCO2 ZINC000075155413 415438734 /nfs/dbraw/zinc/43/87/34/415438734.db2.gz DQGFQGOMYUSSHA-HNNXBMFYSA-N 0 0 301.302 0.843 50 0 DCAARN Cn1cccc1[C@H](O)CNC(=O)C(=O)NCCc1ccccc1 ZINC000075155144 415438892 /nfs/dbraw/zinc/43/88/92/415438892.db2.gz NRBIRDZVXUBDHB-OAHLLOKOSA-N 0 0 315.373 0.534 50 0 DCAARN O=C(NC[C@@H]1CCCO1)c1nnn2c1c(=O)[nH]c1ccccc12 ZINC000075532368 415447205 /nfs/dbraw/zinc/44/72/05/415447205.db2.gz OCWLXUDYQALAKU-VIFPVBQESA-N 0 0 313.317 0.480 50 0 DCAARN Cc1onc2c1c(C)nn(CCC(=O)NC[C@@H]1CCCO1)c2=O ZINC000075403106 415448480 /nfs/dbraw/zinc/44/84/80/415448480.db2.gz SPJJXIQCZLKKFX-NSHDSACASA-N 0 0 320.349 0.687 50 0 DCAARN CN(C)[C@@H](C(=O)NCCN1CCOCC1)c1cccc(F)c1 ZINC000095373208 415559650 /nfs/dbraw/zinc/55/96/50/415559650.db2.gz WXSYNIZXTUYVFR-OAHLLOKOSA-N 0 0 309.385 0.877 50 0 DCAARN COCCCNC(=O)CN1CCN(c2nc(C)cc(C)n2)CC1 ZINC000095948458 415562130 /nfs/dbraw/zinc/56/21/30/415562130.db2.gz ADFISVZCPGPXSR-UHFFFAOYSA-N 0 0 321.425 0.368 50 0 DCAARN COCCN(Cc1ccccn1)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000095954467 415562733 /nfs/dbraw/zinc/56/27/33/415562733.db2.gz CBIJJRVURWJWJU-CYBMUJFWSA-N 0 0 305.378 0.925 50 0 DCAARN CC(C)(C)c1n[nH]cc1CN1CCN(S(C)(=O)=O)CC1 ZINC000095953941 415565476 /nfs/dbraw/zinc/56/54/76/415565476.db2.gz GATJJTZOAKSWCL-UHFFFAOYSA-N 0 0 300.428 0.784 50 0 DCAARN Cc1ccccc1-c1noc(=O)n1Cc1nnc2n1CCOC2 ZINC000333304217 415605580 /nfs/dbraw/zinc/60/55/80/415605580.db2.gz UDTKWHMHHWAORL-UHFFFAOYSA-N 0 0 313.317 0.982 50 0 DCAARN FC(F)c1nnc2ccc(N3CCC[C@H](c4nn[nH]n4)C3)nn21 ZINC000097147822 415585150 /nfs/dbraw/zinc/58/51/50/415585150.db2.gz ZJRRNWUMCLAUFE-ZETCQYMHSA-N 0 0 321.295 0.959 50 0 DCAARN COc1cc(/C=C\C(=O)N(C)CC(N)=O)cc2c1OCCO2 ZINC000097107650 415586447 /nfs/dbraw/zinc/58/64/47/415586447.db2.gz BVCWBICSNFLQAO-ARJAWSKDSA-N 0 0 306.318 0.423 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)OCCCOC1CCCC1 ZINC000097143647 415587175 /nfs/dbraw/zinc/58/71/75/415587175.db2.gz USPQNDSVQSGKLA-UHFFFAOYSA-N 0 0 319.423 0.609 50 0 DCAARN O=C(CCCc1cn[nH]c1)NCCS(=O)(=O)N1CCCC1 ZINC000097173079 415587510 /nfs/dbraw/zinc/58/75/10/415587510.db2.gz PUVZYGWKWDYYNF-UHFFFAOYSA-N 0 0 314.411 0.274 50 0 DCAARN CS(=O)(=O)NCCN1CCN(Cc2cccs2)CC1 ZINC000107297809 415662178 /nfs/dbraw/zinc/66/21/78/415662178.db2.gz CGROWRMRNTZXEJ-UHFFFAOYSA-N 0 0 303.453 0.415 50 0 DCAARN O=C(COc1nnc(-c2ccccc2)o1)N1CCNC(=O)C1 ZINC000120148780 415754495 /nfs/dbraw/zinc/75/44/95/415754495.db2.gz QIYYBOWUJSFXOF-UHFFFAOYSA-N 0 0 302.290 0.074 50 0 DCAARN NS(=O)(=O)C[C@H]1CCN(C(=O)CCc2ccsc2)C1 ZINC000299758017 416064837 /nfs/dbraw/zinc/06/48/37/416064837.db2.gz JYAHGUMMTQEKOB-NSHDSACASA-N 0 0 302.421 0.818 50 0 DCAARN CCCn1cc(NC(=O)N2CCc3[nH][nH]c(=O)c3CC2)nn1 ZINC000299781647 416067772 /nfs/dbraw/zinc/06/77/72/416067772.db2.gz DXCPVEQPUTYWDD-UHFFFAOYSA-N 0 0 305.342 0.337 50 0 DCAARN Cc1cccc2[nH]c(CCNC(=O)CN3CCC(O)CC3)nc21 ZINC000299792321 416069574 /nfs/dbraw/zinc/06/95/74/416069574.db2.gz FNEDOJFMEFIGHE-UHFFFAOYSA-N 0 0 316.405 0.987 50 0 DCAARN CCC(=O)N1CCC[C@H]1C(=O)NCCNc1nc(C)cc(=O)[nH]1 ZINC000299796029 416070523 /nfs/dbraw/zinc/07/05/23/416070523.db2.gz NWGYEPJPYLBVFU-NSHDSACASA-N 0 0 321.381 0.420 50 0 DCAARN Cc1ccnn1CCC(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299796483 416070535 /nfs/dbraw/zinc/07/05/35/416070535.db2.gz NRQISNISMKBVSK-KBPBESRZSA-N 0 0 316.365 0.546 50 0 DCAARN CCCn1nccc1C(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299797499 416070569 /nfs/dbraw/zinc/07/05/69/416070569.db2.gz OASWTTWKCSTRCC-KBPBESRZSA-N 0 0 316.365 0.871 50 0 DCAARN NS(=O)(=O)C[C@H]1CCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000299797237 416071209 /nfs/dbraw/zinc/07/12/09/416071209.db2.gz NCAUSEDOYGGTKK-VIFPVBQESA-N 0 0 308.363 0.314 50 0 DCAARN CC[C@H](C(=O)[O-])[NH+]1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000191435050 416286683 /nfs/dbraw/zinc/28/66/83/416286683.db2.gz MRRUFYDZCDBJIY-GFCCVEGCSA-N 0 0 318.381 0.657 50 0 DCAARN CN(CC[C@H]1CCCCO1)C(=O)CCn1ccc(=O)[nH]c1=O ZINC000215178878 416327025 /nfs/dbraw/zinc/32/70/25/416327025.db2.gz DHGSWONEUHJPPA-GFCCVEGCSA-N 0 0 309.366 0.344 50 0 DCAARN NS(=O)(=O)c1ccc(C(=O)NCCC[C@H]2CCOC2)cc1 ZINC000216173688 416327348 /nfs/dbraw/zinc/32/73/48/416327348.db2.gz BDWJEHBPHNHEKX-NSHDSACASA-N 0 0 312.391 0.881 50 0 DCAARN O=C(CN1C(=O)CNC1=O)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000216079749 416327567 /nfs/dbraw/zinc/32/75/67/416327567.db2.gz LRUZCTMXSRSBHK-UHFFFAOYSA-N 0 0 313.317 0.041 50 0 DCAARN [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000238075539 416329769 /nfs/dbraw/zinc/32/97/69/416329769.db2.gz MRTDGBDRDRTVMV-JYJNAYRXSA-N 0 0 304.390 0.963 50 0 DCAARN CCc1cccnc1C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000241587885 416330133 /nfs/dbraw/zinc/33/01/33/416330133.db2.gz OXWRSUBSTFHKTR-MEDUHNTESA-N 0 0 316.361 0.752 50 0 DCAARN O=C(CCN1CCOCC1)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000244626697 416330238 /nfs/dbraw/zinc/33/02/38/416330238.db2.gz FQSWIVIJZXURRX-JKIFEVAISA-N 0 0 319.405 0.732 50 0 DCAARN Cc1ccc(CNC(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)o1 ZINC000244574923 416330583 /nfs/dbraw/zinc/33/05/83/416330583.db2.gz CTQPMHJYAAEQKJ-LBPRGKRZSA-N 0 0 314.407 0.713 50 0 DCAARN CCCn1ccnc1CNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O ZINC000244659780 416330930 /nfs/dbraw/zinc/33/09/30/416330930.db2.gz HIOZQDAZLNOGHS-ZDUSSCGKSA-N 0 0 318.381 0.380 50 0 DCAARN CSCCC(=O)N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O ZINC000244794540 416331120 /nfs/dbraw/zinc/33/11/20/416331120.db2.gz QOQRKZFZBAWBAX-ZIAGYGMSSA-N 0 0 309.435 0.886 50 0 DCAARN CCN(CC(=O)Nc1c(C)nn(CC)c1C)[C@H]1COC[C@@H]1O ZINC000244778682 416331124 /nfs/dbraw/zinc/33/11/24/416331124.db2.gz PUTHZNNCVYLCMK-STQMWFEESA-N 0 0 310.398 0.540 50 0 DCAARN CCN(CC)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC000583651492 416480080 /nfs/dbraw/zinc/48/00/80/416480080.db2.gz NEOFRHJSCOBLMM-UHFFFAOYSA-N 0 0 312.414 0.954 50 0 DCAARN Cc1cc2nc(C(=O)NCc3nnc(N)s3)cc(C)n2n1 ZINC000534638611 416507288 /nfs/dbraw/zinc/50/72/88/416507288.db2.gz XEZOYGHYGLSKCI-UHFFFAOYSA-N 0 0 303.351 0.710 50 0 DCAARN Nc1n[nH]c(Cn2cnc3cc(C(F)(F)F)ccc3c2=O)n1 ZINC000584897706 416516917 /nfs/dbraw/zinc/51/69/17/416516917.db2.gz NHRKVYYJZVBJRS-UHFFFAOYSA-N 0 0 310.239 1.164 50 0 DCAARN CNC(=O)[C@]1(COC)CCCN1C(=O)c1cnn(C2CC2)c1 ZINC000585123772 416518025 /nfs/dbraw/zinc/51/80/25/416518025.db2.gz GZVDNZWIWJKARF-OAHLLOKOSA-N 0 0 306.366 0.585 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2[C@@H](C)O)C1 ZINC000585113759 416518301 /nfs/dbraw/zinc/51/83/01/416518301.db2.gz GCQBJJOPOAZIKS-JHJVBQTASA-N 0 0 318.439 0.420 50 0 DCAARN CN1CC[C@](C)(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1=O ZINC000585120993 416518667 /nfs/dbraw/zinc/51/86/67/416518667.db2.gz BEKNORLIOXPMJH-GUYCJALGSA-N 0 0 321.421 0.620 50 0 DCAARN Cn1ccnc(N2CCN(c3cc4c(nn3)CCC4)CC2)c1=O ZINC000575605850 417538588 /nfs/dbraw/zinc/53/85/88/417538588.db2.gz AQBADSIXAFVATK-UHFFFAOYSA-N 0 0 312.377 0.386 50 0 DCAARN COCCOCC(=O)N1CCC(F)(C(=O)NCC2CC2)CC1 ZINC000575554466 417538709 /nfs/dbraw/zinc/53/87/09/417538709.db2.gz LIRMFZIZXXVLLX-UHFFFAOYSA-N 0 0 316.373 0.506 50 0 DCAARN COCCNC(=O)C1(F)CCN(C(=O)NCC(C)C)CC1 ZINC000575554810 417539688 /nfs/dbraw/zinc/53/96/88/417539688.db2.gz BROVPHFUWXZLLA-UHFFFAOYSA-N 0 0 303.378 0.919 50 0 DCAARN Cn1nc(C(=O)NC2CCN(c3cnsn3)CC2)ccc1=O ZINC000575606564 417539881 /nfs/dbraw/zinc/53/98/81/417539881.db2.gz IUMHDGCIENDYQV-UHFFFAOYSA-N 0 0 320.378 0.031 50 0 DCAARN Cc1cc(NCc2nnc3ccc(N4CCCC4)nn32)ncn1 ZINC000575618121 417541580 /nfs/dbraw/zinc/54/15/80/417541580.db2.gz ZWWBVRXFFGRFQH-UHFFFAOYSA-N 0 0 310.365 1.435 50 0 DCAARN O=C(COc1ccc(F)cc1)N1CC(CN2C(=O)COC2=O)C1 ZINC000575615101 417541958 /nfs/dbraw/zinc/54/19/58/417541958.db2.gz BXBQDTIAPBCUFC-UHFFFAOYSA-N 0 0 322.292 0.642 50 0 DCAARN Cc1nnc2c(N3CCN(c4cc(C)ncn4)CC3)nccn12 ZINC000575617570 417542059 /nfs/dbraw/zinc/54/20/59/417542059.db2.gz UVRCUMWABCNCNE-UHFFFAOYSA-N 0 0 310.365 0.858 50 0 DCAARN CNS(=O)(=O)CC(=O)Nc1cscc1Br ZINC000575051990 417503616 /nfs/dbraw/zinc/50/36/16/417503616.db2.gz YIVIVTNOOQFYMF-UHFFFAOYSA-N 0 0 313.198 0.998 50 0 DCAARN C[C@H]1CC[C@@H](NC(=O)NCC2=CCOCC2)CS1(=O)=O ZINC000664988045 418165776 /nfs/dbraw/zinc/16/57/76/418165776.db2.gz MFCFJJRIWLWGBS-CMPLNLGQSA-N 0 0 302.396 0.598 50 0 DCAARN Cc1nc(C)c(S(=O)(=O)N[C@H]2C(=O)NCC2(C)C)s1 ZINC000660017952 418219084 /nfs/dbraw/zinc/21/90/84/418219084.db2.gz PKRVLOHDROERJC-QMMMGPOBSA-N 0 0 303.409 0.563 50 0 DCAARN CC[C@@H](COC)NC(=O)/C=C\c1ccc(S(N)(=O)=O)cc1 ZINC000493657135 272202362 /nfs/dbraw/zinc/20/23/62/272202362.db2.gz QPFOCJNUMVQXJZ-PWWFUAJNSA-N 0 0 312.391 0.888 50 0 DCAARN CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC(N2CCNC2=O)C1 ZINC000496398548 272310655 /nfs/dbraw/zinc/31/06/55/272310655.db2.gz PCDPDWLWZHNVMB-LLVKDONJSA-N 0 0 324.381 0.232 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3cccc(C)c3)C(=O)[C@]2(C)NN1 ZINC000004524767 277051489 /nfs/dbraw/zinc/05/14/89/277051489.db2.gz KEOWIIDSPGGARJ-ZUZCIYMTSA-N 0 0 301.302 0.375 50 0 DCAARN CC(=O)NC1=NN(C(C)=O)[C@]2(S1)c1ccccc1NC2=O ZINC000000609780 278086869 /nfs/dbraw/zinc/08/68/69/278086869.db2.gz QDWKLRLPQFUCSM-ZDUSSCGKSA-N 0 0 304.331 0.794 50 0 DCAARN CC(=O)NCCCOC(=O)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000078442868 278103422 /nfs/dbraw/zinc/10/34/22/278103422.db2.gz CYWFPOUDPVUNNP-LBPRGKRZSA-N 0 0 308.334 0.954 50 0 DCAARN CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000014245903 278190371 /nfs/dbraw/zinc/19/03/71/278190371.db2.gz OPIWGYXYMHCKRI-ZDUSSCGKSA-N 0 0 310.375 0.904 50 0 DCAARN CC(=O)OC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]21 ZINC000013018381 278219290 /nfs/dbraw/zinc/21/92/90/278219290.db2.gz PHWOTSJWWWEKMS-PREPNJAASA-N 0 0 302.323 0.946 50 0 biogenic DCAARN CC(C)(C)CN1CCC[C@@H](N2CCS(=O)(=O)CC2)C1=O ZINC000329696196 278324517 /nfs/dbraw/zinc/32/45/17/278324517.db2.gz BRMCXJKODXFZJP-GFCCVEGCSA-N 0 0 302.440 0.754 50 0 DCAARN Cn1c2c(ccn2CC(=O)N2CCCCC2)c(=O)n(C)c1=O ZINC000065030948 279315834 /nfs/dbraw/zinc/31/58/34/279315834.db2.gz BSHJVDJAFLMFSP-UHFFFAOYSA-N 0 0 304.350 0.051 50 0 DCAARN O=S1(=O)CC[C@H](Nc2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000014220328 280351305 /nfs/dbraw/zinc/35/13/05/280351305.db2.gz YXRZMCGXQNANGM-LURJTMIESA-N 0 0 321.284 0.742 50 0 DCAARN CCC(=O)N1CSC[C@H]1C(=O)N[C@H](C(=O)NC)C(C)C ZINC000089941736 281943118 /nfs/dbraw/zinc/94/31/18/281943118.db2.gz VBDCHKGEKHFYDV-ONGXEEELSA-N 0 0 301.412 0.185 50 0 DCAARN CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1nnc3n1CCCCC3)C2 ZINC000072430222 289857711 /nfs/dbraw/zinc/85/77/11/289857711.db2.gz XQSYNQDEPOSJPY-NWDGAFQWSA-N 0 0 317.393 0.697 50 0 DCAARN CNC(=O)NC(=O)CN1c2ccccc2[C@@H](C(N)=O)C[C@@H]1C ZINC000040068528 290485948 /nfs/dbraw/zinc/48/59/48/290485948.db2.gz VXBHVNOGOZAKCH-ONGXEEELSA-N 0 0 304.350 0.310 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)Sc1nnc(N(C)C)n1C(C)C ZINC000069618344 290500274 /nfs/dbraw/zinc/50/02/74/290500274.db2.gz XUFXWKOTZOBMSJ-QMMMGPOBSA-N 0 0 314.415 0.861 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)N(CC(N)=O)C2CCCC2)C[C@@H](C)O1 ZINC000047281732 297044062 /nfs/dbraw/zinc/04/40/62/297044062.db2.gz ZBEIEKOFCDVXFS-GHMZBOCLSA-N 0 0 319.427 0.070 50 0 DCAARN Cn1cc(CC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cn1 ZINC000331810191 294231107 /nfs/dbraw/zinc/23/11/07/294231107.db2.gz VNRRJENLELJEIJ-ZDUSSCGKSA-N 0 0 319.386 0.998 50 0 DCAARN Cn1cc(S(=O)(=O)NC2CCCCCC2)c(=O)n(C)c1=O ZINC000004337650 294271198 /nfs/dbraw/zinc/27/11/98/294271198.db2.gz CXEXWNCYBZKDPS-UHFFFAOYSA-N 0 0 315.395 0.085 50 0 DCAARN CO[C@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000014960947 294681833 /nfs/dbraw/zinc/68/18/33/294681833.db2.gz RTVWBDNQHISFHI-ADHOPOMSSA-N 0 0 304.295 0.173 50 0 DCAARN CS(=O)(=O)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000007736495 295514137 /nfs/dbraw/zinc/51/41/37/295514137.db2.gz CMZQEDVMARRQNX-LLVKDONJSA-N 0 0 305.352 0.902 50 0 DCAARN NC(=O)[C@H]1COCCN1C(=O)c1ccc2c(c1)CCCCC2=O ZINC000291709600 303333964 /nfs/dbraw/zinc/33/39/64/303333964.db2.gz PUAFAUYTIXOLKX-CQSZACIVSA-N 0 0 316.357 0.922 50 0 DCAARN CNS(=O)(=O)c1ccc(N(C)[C@@H](CO)CC(C)C)nc1 ZINC000185875476 331645941 /nfs/dbraw/zinc/64/59/41/331645941.db2.gz SGTGUHUKUNHIBG-LLVKDONJSA-N 0 0 301.412 0.833 50 0 DCAARN CCOCC(=O)N1CCn2nc(CCC(=O)NC3CC3)cc2C1 ZINC000091270004 332102580 /nfs/dbraw/zinc/10/25/80/332102580.db2.gz ODEGLVNUHAKSJH-UHFFFAOYSA-N 0 0 320.393 0.473 50 0 DCAARN Cn1nc2cccc(S(=O)(=O)NCCc3ncc[nH]3)c2n1 ZINC000534581824 334289437 /nfs/dbraw/zinc/28/94/37/334289437.db2.gz ZTQYROALTUBQHA-UHFFFAOYSA-N 0 0 306.351 0.212 50 0 DCAARN Cc1ncnc(C)c1C(=O)NCC1(CN2CCOCC2)CC1 ZINC000534591355 334294309 /nfs/dbraw/zinc/29/43/09/334294309.db2.gz PJIBGJLFSSNPSY-UHFFFAOYSA-N 0 0 304.394 0.936 50 0 DCAARN COC[C@H](NC(=O)Cn1nc(C)c(C)cc1=O)c1ccccn1 ZINC000534644824 334306812 /nfs/dbraw/zinc/30/68/12/334306812.db2.gz XOXLUNPSLGQIPY-AWEZNQCLSA-N 0 0 316.361 0.759 50 0 DCAARN O=C(NCCn1cncn1)N1CCC(Oc2cccnc2)CC1 ZINC000534633545 334308323 /nfs/dbraw/zinc/30/83/23/334308323.db2.gz RLEKMNPOFHOCGJ-UHFFFAOYSA-N 0 0 316.365 0.926 50 0 DCAARN Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCNC2=O)c2nonc21 ZINC000534636294 334309349 /nfs/dbraw/zinc/30/93/49/334309349.db2.gz CVPANFMJAPFLGB-MRVPVSSYSA-N 0 0 310.335 0.006 50 0 DCAARN Cc1cc(C)n(CC(=O)N[C@@H](c2nccn2C)C2CC2)c(=O)n1 ZINC000534639442 334310396 /nfs/dbraw/zinc/31/03/96/334310396.db2.gz UHGQGMCKBVREJL-CQSZACIVSA-N 0 0 315.377 0.861 50 0 DCAARN COCc1noc(CNC(=O)CN(C)Cc2ccncc2)n1 ZINC000534647845 334316136 /nfs/dbraw/zinc/31/61/36/334316136.db2.gz LQBDRCBUZQRNOZ-UHFFFAOYSA-N 0 0 305.338 0.359 50 0 DCAARN CC(=O)c1c(C)nn(CC(=O)NCc2cccnc2N)c1C ZINC000534647975 334316260 /nfs/dbraw/zinc/31/62/60/334316260.db2.gz VTQPAMDJLNWLKI-UHFFFAOYSA-N 0 0 301.350 0.996 50 0 DCAARN CC[C@H](NC(=O)c1ccc2nncn2c1)C(=O)N1CCOCC1 ZINC000267935727 522539627 /nfs/dbraw/zinc/53/96/27/522539627.db2.gz GJKMYYMWPUCVAR-LBPRGKRZSA-N 0 0 317.349 0.097 50 0 DCAARN Cc1ccc(NCCCNC(=O)CN2C(=O)CN(C)C2=O)nc1 ZINC000267208088 525275590 /nfs/dbraw/zinc/27/55/90/525275590.db2.gz OCRDCBMXCVGUKQ-UHFFFAOYSA-N 0 0 319.365 0.202 50 0 DCAARN CC(=O)c1ccc(N2CCN(C(=O)CN(C)C(N)=O)CC2)cc1 ZINC000012543593 534847120 /nfs/dbraw/zinc/84/71/20/534847120.db2.gz CGJZHNZQSRRSIJ-UHFFFAOYSA-N 0 0 318.377 0.548 50 0 DCAARN CCO[C@H]1C[C@@H](N(C)C(=O)CN2CCOCC2=O)C12CCC2 ZINC000328588055 528068563 /nfs/dbraw/zinc/06/85/63/528068563.db2.gz NZHIAZWQXASYOX-OLZOCXBDSA-N 0 0 310.394 0.651 50 0 DCAARN CCC[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)OC ZINC000390833865 528203147 /nfs/dbraw/zinc/20/31/47/528203147.db2.gz OESPBUWOXCBLJQ-NSHDSACASA-N 0 0 314.363 0.406 50 0 DCAARN CCOC(=O)c1cn(CC(N)=O)nc1I ZINC000408525149 528284656 /nfs/dbraw/zinc/28/46/56/528284656.db2.gz NEQSOZKRTATVSJ-UHFFFAOYSA-N 0 0 323.090 0.150 50 0 DCAARN CC(C)Cc1cc(CN2CCN3CCN(C)C(=O)[C@H]3C2)[nH]n1 ZINC000244601966 528642844 /nfs/dbraw/zinc/64/28/44/528642844.db2.gz DVEYLTYNUJMOQS-OAHLLOKOSA-N 0 0 305.426 0.566 50 0 DCAARN Cn1nccc1C(=O)N1CCN(c2ncnc3c2CCC3)CC1 ZINC000065288193 545659445 /nfs/dbraw/zinc/65/94/45/545659445.db2.gz XCTVAIUBTRVCGJ-UHFFFAOYSA-N 0 0 312.377 0.661 50 0 DCAARN CCOC(=O)COC(=O)Cn1cc(Br)ccc1=O ZINC000073804302 545667579 /nfs/dbraw/zinc/66/75/79/545667579.db2.gz IMMMTJYFFOMWNX-UHFFFAOYSA-N 0 0 318.123 0.717 50 0 DCAARN COc1ccccc1N1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000074665565 545671881 /nfs/dbraw/zinc/67/18/81/545671881.db2.gz HZJXDCNRJGEXDC-ZDUSSCGKSA-N 0 0 317.389 0.870 50 0 DCAARN C[C@H](OC(=O)c1cc(F)c(F)cc1N)C(=O)N1CCOCC1 ZINC000083927568 545698524 /nfs/dbraw/zinc/69/85/24/545698524.db2.gz TWFVACDHDUVVJR-QMMMGPOBSA-N 0 0 314.288 0.951 50 0 DCAARN CC[C@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1N1CCOCC1 ZINC000084735808 545704961 /nfs/dbraw/zinc/70/49/61/545704961.db2.gz MRAXWXQXBXPZCA-GJZGRUSLSA-N 0 0 321.425 0.628 50 0 DCAARN CCCn1cnnc1CN(C)C(=O)c1nc2ncccn2n1 ZINC000215747334 545937182 /nfs/dbraw/zinc/93/71/82/545937182.db2.gz XLTRTZXHKMJVSH-UHFFFAOYSA-N 0 0 300.326 0.398 50 0 DCAARN CN(Cc1cnc(N(C)CC(=O)[O-])nc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000215898760 545938348 /nfs/dbraw/zinc/93/83/48/545938348.db2.gz DRCMYRUMLGYTSR-CYBMUJFWSA-N 0 0 321.425 0.771 50 0 DCAARN Cc1cc(C(=O)NC2(C(N)=O)CCOCC2)nn1[C@H](C)C1CC1 ZINC000584908416 546303122 /nfs/dbraw/zinc/30/31/22/546303122.db2.gz SLXWJDSMMNZMFV-LLVKDONJSA-N 0 0 320.393 0.927 50 0 DCAARN C[C@@H](NC(=O)CCS(C)(=O)=O)c1nc(-c2cccnc2)no1 ZINC000670452022 547096681 /nfs/dbraw/zinc/09/66/81/547096681.db2.gz KWFWBMDGVRBDSV-SECBINFHSA-N 0 0 324.362 0.744 50 0 DCAARN CS(=O)(=O)NCC(=O)N[C@H](Cn1cccn1)c1ccccc1 ZINC000670456118 547098154 /nfs/dbraw/zinc/09/81/54/547098154.db2.gz CEYRGXAWLJOYHI-CYBMUJFWSA-N 0 0 322.390 0.290 50 0 DCAARN Cc1ccc(NCCCNC(=O)CN2CCC[C@H](O)C2)nc1 ZINC000670461038 547099151 /nfs/dbraw/zinc/09/91/51/547099151.db2.gz OFMRZRYFLRDOCL-AWEZNQCLSA-N 0 0 306.410 0.765 50 0 DCAARN C[C@@H](CS(C)(=O)=O)[NH2+]C1CCN(C(=O)N2CCCC2)CC1 ZINC000670463430 547099175 /nfs/dbraw/zinc/09/91/75/547099175.db2.gz HSEIREKOJYQUJM-LBPRGKRZSA-N 0 0 317.455 0.689 50 0 DCAARN CN(C)C1=NC2(CCN(C(=O)Cc3cccs3)CC2)C(=O)N1 ZINC000670467130 547100309 /nfs/dbraw/zinc/10/03/09/547100309.db2.gz HSRXHMITHIHIAZ-UHFFFAOYSA-N 0 0 320.418 0.699 50 0 DCAARN O=C(N[C@H](CO)Cc1ccccc1)C1(N2CCOCC2)CCC1 ZINC000682239601 548364970 /nfs/dbraw/zinc/36/49/70/548364970.db2.gz SWWSEXAICKAUGY-INIZCTEOSA-N 0 0 318.417 0.961 50 0 DCAARN Cn1cc(C(=O)N[C@@H]2CCCC[C@@H]2CC2N=NC(=O)N2C)cn1 ZINC000685942024 548747212 /nfs/dbraw/zinc/74/72/12/548747212.db2.gz LSHZAIQGLLZEAW-ZYHUDNBSSA-N 0 0 318.381 0.786 50 0 DCAARN CN(C)S(=O)(=O)CCC[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000699101625 601840977 /nfs/dbraw/zinc/84/09/77/601840977.db2.gz IYOZWUVDJCUUSP-UHFFFAOYSA-N 0 0 306.428 0.845 50 0 DCAARN Cc1ncn(CC(=O)N[C@H](Cn2nccn2)C(C)C)c(=O)c1C ZINC000238877502 665494424 /nfs/dbraw/zinc/49/44/24/665494424.db2.gz OKRHOGHBJKVIAW-CYBMUJFWSA-N 0 0 318.381 0.293 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)OC/C=C/c1ccccc1 ZINC000045895402 659447344 /nfs/dbraw/zinc/44/73/44/659447344.db2.gz LHLACIVGXBSMGF-QPJJXVBHSA-N 0 0 309.387 0.973 50 0 DCAARN CC[C@H](C)CCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)NC ZINC000585088598 661465237 /nfs/dbraw/zinc/46/52/37/661465237.db2.gz HKMILXBDFSJBPG-RYUDHWBXSA-N 0 0 318.439 0.574 50 0 DCAARN C[NH+](C)CCN(CC(=O)[O-])C(=O)c1ccc2nccnc2c1 ZINC000318183125 662040015 /nfs/dbraw/zinc/04/00/15/662040015.db2.gz WNLIALCNVALBLA-UHFFFAOYSA-N 0 0 302.334 0.718 50 0 DCAARN Cc1cc(C(=O)N2CCN(C)C(=O)[C@H]2C)c2cnn(C)c2n1 ZINC000188566050 670025867 /nfs/dbraw/zinc/02/58/67/670025867.db2.gz LCUKCSCJHGPXFQ-SNVBAGLBSA-N 0 0 301.350 0.579 50 0 DCAARN NS(=O)(=O)c1ccc(CNC(=O)CCc2cn[nH]c2)cc1 ZINC000952965319 685598524 /nfs/dbraw/zinc/59/85/24/685598524.db2.gz GOWKPVWECDIBBQ-UHFFFAOYSA-N 0 0 308.363 0.306 50 0 DCAARN Cc1n[nH]c(C)c1S(=O)(=O)N(C)C[C@H](C)N1CCOCC1 ZINC000952966663 685599180 /nfs/dbraw/zinc/59/91/80/685599180.db2.gz WGEOUGKEVLDSQY-JTQLQIEISA-N 0 0 316.427 0.368 50 0 DCAARN Cc1noc(CN2CCC[C@@H](CNC(=O)c3cncn3C)C2)n1 ZINC000952973729 685599877 /nfs/dbraw/zinc/59/98/77/685599877.db2.gz MDGWIRYXMJZWRH-LBPRGKRZSA-N 0 0 318.381 0.754 50 0 DCAARN Nc1ncc(/C=C/C(=O)NCc2ccc(-n3cncn3)cc2)cn1 ZINC000952980016 685600793 /nfs/dbraw/zinc/60/07/93/685600793.db2.gz BWCYEDOJBXDQAB-ZZXKWVIFSA-N 0 0 321.344 0.969 50 0 DCAARN C[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cccc(Cl)c3)CCN2C1=O ZINC000014541580 685047660 /nfs/dbraw/zinc/04/76/60/685047660.db2.gz RTWWGCDXYAVSNP-JOYOIKCWSA-N 0 0 321.764 0.511 50 0 DCAARN CC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cccs3)CCN2C1=O ZINC000014746206 685048522 /nfs/dbraw/zinc/04/85/22/685048522.db2.gz RBONBYGDJUXGLP-VHSXEESVSA-N 0 0 307.375 0.310 50 0 DCAARN CC(C)C[C@H]1NC(=O)[C@H]2CN(Cc3ccncc3)CCN2C1=O ZINC000014755077 685049948 /nfs/dbraw/zinc/04/99/48/685049948.db2.gz JBCTXGAEQBZLRL-HUUCEWRRSA-N 0 0 316.405 0.639 50 0 DCAARN C[C@@H](OC(=O)/C=C\c1ccccc1[N+](=O)[O-])C(=O)NC(N)=O ZINC000096464289 685111416 /nfs/dbraw/zinc/11/14/16/685111416.db2.gz ZYBUIMFHFFAZIK-NFXKFNAJSA-N 0 0 307.262 0.735 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)[C@H]3CC=CCC3)C[C@H]2C(N)=O)[nH]1 ZINC000169791305 685141148 /nfs/dbraw/zinc/14/11/48/685141148.db2.gz MKKSIPMFEGRAMB-QJPTWQEYSA-N 0 0 303.366 0.497 50 0 DCAARN Nc1cc(N2C[C@@H]3COCC[C@]3(CO)C2)nc(N2CCCC2)n1 ZINC001772706606 1157844778 /nfs/dbraw/zinc/84/47/78/1157844778.db2.gz IQZSHFUFUZZZTD-MLGOLLRUSA-N 0 0 319.409 0.494 50 0 DCAARN Cc1cc(C)nc(SCC(=O)N2C[C@@H]3[C@H](C2)C3(CO)CO)n1 ZINC001772708231 1157846418 /nfs/dbraw/zinc/84/64/18/1157846418.db2.gz AQWREIMOIBYSOO-TXEJJXNPSA-N 0 0 323.418 0.245 50 0 DCAARN CN(C)C(=O)NCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 ZINC001704298321 1179964518 /nfs/dbraw/zinc/96/45/18/1179964518.db2.gz IWNVYWRVBUGGAS-OLZOCXBDSA-N 0 0 306.366 0.027 50 0 DCAARN Cc1cc(C)nc(N2CCC3(CC2)N=C(N(C)C)NC3=O)n1 ZINC001704298819 1179964779 /nfs/dbraw/zinc/96/47/79/1179964779.db2.gz DXCXOMKPRFHUMG-UHFFFAOYSA-N 0 0 302.382 0.480 50 0 DCAARN C[C@]1(O)CCOC2(CCN(C(=O)CN3CCOC3=O)CC2)C1 ZINC001704297801 1179964793 /nfs/dbraw/zinc/96/47/93/1179964793.db2.gz CNRYKUHBMQVUPW-AWEZNQCLSA-N 0 0 312.366 0.361 50 0 DCAARN Cc1ncc2c(n1)[C@]1(CC2)CCCN(C(=O)Cn2cnnn2)C1 ZINC001704302373 1179965808 /nfs/dbraw/zinc/96/58/08/1179965808.db2.gz IFVPVUWMVGWHQF-HNNXBMFYSA-N 0 0 313.365 0.278 50 0 DCAARN CCc1cc(N2CCO[C@H](C(=O)[O-])C2)nc(N2CCCC2)[nH+]1 ZINC001704303807 1179966414 /nfs/dbraw/zinc/96/64/14/1179966414.db2.gz BHNGFRKRKORBFK-LBPRGKRZSA-N 0 0 306.366 0.929 50 0 DCAARN COc1nc(N2C[C@@H](Cc3cc(C)[nH]n3)[C@H](O)C2)ncc1F ZINC001704300558 1179966855 /nfs/dbraw/zinc/96/68/55/1179966855.db2.gz YUVBLEVFGKBGCU-BXKDBHETSA-N 0 0 307.329 0.696 50 0 DCAARN CN(C)c1ccc(CN2C[C@@H]3COC[C@H](C2)N(C)C3=O)cn1 ZINC001704312458 1179969960 /nfs/dbraw/zinc/96/99/60/1179969960.db2.gz CEDZVEBNAIDPTE-KGLIPLIRSA-N 0 0 304.394 0.437 50 0 DCAARN C[C@]1(O)CC2(CCN(C(=O)Cc3cccnc3)CC2)OC[C@@H]1O ZINC001704331232 1179975213 /nfs/dbraw/zinc/97/52/13/1179975213.db2.gz PWCYRATYNRDCBJ-HOCLYGCPSA-N 0 0 320.389 0.518 50 0 DCAARN Cc1cc(C[C@@H]2CN(c3nc(C)ccc3C(N)=O)C[C@H]2O)n[nH]1 ZINC001704345490 1179980237 /nfs/dbraw/zinc/98/02/37/1179980237.db2.gz XYNMOXQWHHGMFU-BXUZGUMPSA-N 0 0 315.377 0.560 50 0 DCAARN CCC1(CC)CCN(C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)C1 ZINC001704354457 1179983336 /nfs/dbraw/zinc/98/33/36/1179983336.db2.gz DVDIALHAAIQBLW-NSHDSACASA-N 0 0 320.393 0.640 50 0 DCAARN O=C(c1ccc(NCCc2c[nH]cn2)nc1)N1CCOCC1 ZINC001704352845 1179983585 /nfs/dbraw/zinc/98/35/85/1179983585.db2.gz ZYHAUDZKQKBXFJ-UHFFFAOYSA-N 0 0 301.350 0.932 50 0 DCAARN CCCNC(=O)NCCN(C1CCOCC1)S(C)(=O)=O ZINC000675019290 748026778 /nfs/dbraw/zinc/02/67/78/748026778.db2.gz DEPLXGDYBVWCKE-UHFFFAOYSA-N 0 0 307.416 0.136 50 0 DCAARN CC(C)c1noc([C@H](C)NS(=O)(=O)N2CCOCC2)n1 ZINC000822285222 758190430 /nfs/dbraw/zinc/19/04/30/758190430.db2.gz WJZQAHARYSZYLI-VIFPVBQESA-N 0 0 304.372 0.421 50 0 DCAARN CCn1cc(CN(C)[C@H](C)CNS(=O)(=O)CC)c(C)n1 ZINC000823584003 758252941 /nfs/dbraw/zinc/25/29/41/758252941.db2.gz GIKPIYLQIAVBKZ-LLVKDONJSA-N 0 0 302.444 0.971 50 0 DCAARN CC(C)c1noc([C@H](C)NS(=O)(=O)N2CCN(C)CC2)n1 ZINC000823791309 758275772 /nfs/dbraw/zinc/27/57/72/758275772.db2.gz YQEFICXYCFIEAK-JTQLQIEISA-N 0 0 317.415 0.336 50 0 DCAARN COC[C@@H]1CCCN1S(=O)(=O)NC1(C(N)=O)CCCCC1 ZINC000824370947 758770282 /nfs/dbraw/zinc/77/02/82/758770282.db2.gz FBXXTKLZUYEBFF-NSHDSACASA-N 0 0 319.427 0.120 50 0 DCAARN NC(=O)Cc1nc(-c2cncc(=O)[nH]2)n(CC(F)(F)F)n1 ZINC000826842455 758845051 /nfs/dbraw/zinc/84/50/51/758845051.db2.gz TWYYIZJXVQZGGY-UHFFFAOYSA-N 0 0 302.216 0.031 50 0 DCAARN Cc1cccc(C(=O)N2CC(n3cc(C(=O)N(C)C)nn3)C2)c1 ZINC000581810589 760255203 /nfs/dbraw/zinc/25/52/03/760255203.db2.gz CJGDPMYYAPPFBJ-UHFFFAOYSA-N 0 0 313.361 0.985 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000585114943 766284078 /nfs/dbraw/zinc/28/40/78/766284078.db2.gz GERQIIQVLSAJRU-SCZZXKLOSA-N 0 0 322.745 0.088 50 0 DCAARN O=C(COC[C@H]1CCCO1)Nc1nsnc1Br ZINC000585124655 766288134 /nfs/dbraw/zinc/28/81/34/766288134.db2.gz LHNWDRPEORSCRM-ZCFIWIBFSA-N 0 0 322.184 1.435 50 0 DCAARN CS(=O)(=O)c1cc(NC(=O)COC[C@@H]2CCCO2)ccn1 ZINC000585124367 766288542 /nfs/dbraw/zinc/28/85/42/766288542.db2.gz AEABDIISWYVWRU-NSHDSACASA-N 0 0 314.363 0.619 50 0 DCAARN COC(=O)[C@@H](Cc1ccccc1O)NC(=O)c1cncn1C ZINC000585127784 766289819 /nfs/dbraw/zinc/28/98/19/766289819.db2.gz JIYYQCRTMDBDRH-LLVKDONJSA-N 0 0 303.318 0.640 50 0 DCAARN CC(=O)c1cc2c(cc1NC(=O)[C@@H]1CCC(=O)N1)OCCO2 ZINC000952870057 768926606 /nfs/dbraw/zinc/92/66/06/768926606.db2.gz RARFQXYOUZXXQN-JTQLQIEISA-N 0 0 304.302 0.878 50 0 DCAARN C[C@H](C(=O)N1CCCC1)N1CCN(c2cc[nH]c(=O)c2)CC1 ZINC000952880751 768947074 /nfs/dbraw/zinc/94/70/74/768947074.db2.gz LLOJHUBBXJPKDP-CYBMUJFWSA-N 0 0 304.394 0.920 50 0 DCAARN CCOC(=O)CCN(C1CC1)S(=O)(=O)C[C@H]1COCCO1 ZINC000952881995 768948871 /nfs/dbraw/zinc/94/88/71/768948871.db2.gz OUQFSABSQLEDNO-GFCCVEGCSA-N 0 0 321.395 0.149 50 0 DCAARN CNc1nc(C(N)=O)c(NC(=O)CN2CCCCC2=O)s1 ZINC001529119133 1014499615 /nfs/dbraw/zinc/49/96/15/1014499615.db2.gz CBEGZLMLACCPBH-UHFFFAOYSA-N 0 0 311.367 0.235 50 0 DCAARN CCN(CCCCO)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC001529161629 1014510474 /nfs/dbraw/zinc/51/04/74/1014510474.db2.gz NFLASNMYMASDHO-CVEARBPZSA-N 0 0 320.389 0.864 50 0 DCAARN Cn1ncnc1CCNc1ncc(F)c(N2CCOCC2)n1 ZINC001506401479 1017254797 /nfs/dbraw/zinc/25/47/97/1017254797.db2.gz RZBVJRFGGIQWEV-UHFFFAOYSA-N 0 0 307.333 0.235 50 0 DCAARN Fc1cnccc1NCCN1CCN(c2ncccn2)CC1 ZINC001506400597 1017256315 /nfs/dbraw/zinc/25/63/15/1017256315.db2.gz FGFPRNFJUZSVLI-UHFFFAOYSA-N 0 0 302.357 0.667 50 0 DCAARN CC[C@H](CO)N(Cc1ccccn1)C(=O)CNC(=O)N(C)C ZINC001506406273 1017256572 /nfs/dbraw/zinc/25/65/72/1017256572.db2.gz ZNSHTTXHFDKNSX-CYBMUJFWSA-N 0 0 308.382 0.452 50 0 DCAARN Cn1ccnc1C(=O)NCC[C@@H]1CCCCN1S(C)(=O)=O ZINC001506411703 1017259958 /nfs/dbraw/zinc/25/99/58/1017259958.db2.gz KCQQPEVXNWRNPJ-NSHDSACASA-N 0 0 314.411 0.354 50 0 DCAARN Cc1cc(N)n(CC(=O)NCc2nnnn2-c2ccccc2)n1 ZINC001506421389 1017265965 /nfs/dbraw/zinc/26/59/65/1017265965.db2.gz PEBUNMVWIANHTE-UHFFFAOYSA-N 0 0 312.337 0.066 50 0 DCAARN Cc1nc(C(=O)N2CCN(S(C)(=O)=O)CC2)c(C)s1 ZINC000095472437 185372761 /nfs/dbraw/zinc/37/27/61/185372761.db2.gz DBBNJMNJXALPRS-UHFFFAOYSA-N 0 0 303.409 0.477 50 0 DCAARN COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1cc(C)no1)C2 ZINC000095518839 185376815 /nfs/dbraw/zinc/37/68/15/185376815.db2.gz HWWNJDKLWOCZHA-QWHCGFSZSA-N 0 0 321.377 0.621 50 0 DCAARN COc1cccc([C@@H]2CCN2C(=O)CN2C(=O)CCNC2=O)c1 ZINC000095524303 185377672 /nfs/dbraw/zinc/37/76/72/185377672.db2.gz CUIJHVKSRPIBSY-ZDUSSCGKSA-N 0 0 317.345 0.911 50 0 DCAARN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000071808789 290616694 /nfs/dbraw/zinc/61/66/94/290616694.db2.gz HVUYSYRFNCSINP-VHSXEESVSA-N 0 0 314.345 0.649 50 0 DCAARN CCC[C@H]1[C@@H](C)CCCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000078933828 185131064 /nfs/dbraw/zinc/13/10/64/185131064.db2.gz DEJSUEMXYSTDSN-STQMWFEESA-N 0 0 307.394 0.974 50 0 DCAARN O=S(=O)(Cc1ccon1)N1CCN(Cc2cccnc2)CC1 ZINC000078947772 185133723 /nfs/dbraw/zinc/13/37/23/185133723.db2.gz RTGKWEVEHXJAEF-UHFFFAOYSA-N 0 0 322.390 0.717 50 0 DCAARN Cc1noc([C@H](C)OC(=O)[C@@H]2CCCCN2S(C)(=O)=O)n1 ZINC000078985950 185140387 /nfs/dbraw/zinc/14/03/87/185140387.db2.gz JQTDKPIYZFHMPF-WPRPVWTQSA-N 0 0 317.367 0.796 50 0 DCAARN CCS(=O)(=O)C[C@H](C)NC(=O)c1cnn(C)c1-n1cccc1 ZINC000079096081 185157664 /nfs/dbraw/zinc/15/76/64/185157664.db2.gz ONJFSOJUEFTNRW-NSHDSACASA-N 0 0 324.406 0.764 50 0 DCAARN CCN(Cc1ccccc1)C(=O)CNC(=O)CC[S@@](C)=O ZINC000089969275 185272356 /nfs/dbraw/zinc/27/23/56/185272356.db2.gz BBSMNQLTSMLNJP-NRFANRHFSA-N 0 0 310.419 0.920 50 0 DCAARN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1cn(C)cn1 ZINC000076050198 282217105 /nfs/dbraw/zinc/21/71/05/282217105.db2.gz HTXZJNYFQLXZKT-GFCCVEGCSA-N 0 0 309.395 0.778 50 0 DCAARN Cc1nn(-c2ccc3nncn3n2)c(N)c1[C@H](O)C(F)(F)F ZINC000101733894 282241783 /nfs/dbraw/zinc/24/17/83/282241783.db2.gz VTSYRMMTKZSYIB-VIFPVBQESA-N 0 0 313.243 0.796 50 0 DCAARN CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(F)cc2)C1 ZINC000092570281 185326563 /nfs/dbraw/zinc/32/65/63/185326563.db2.gz TYFUPZMNMQVYMZ-LBPRGKRZSA-N 0 0 300.355 0.980 50 0 DCAARN CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)CO)CC2 ZINC000095389328 185351178 /nfs/dbraw/zinc/35/11/78/185351178.db2.gz OMIOJAICDKBVFR-CQSZACIVSA-N 0 0 302.374 0.986 50 0 DCAARN Cc1nc(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)cc(=O)[nH]1 ZINC000095390840 185351549 /nfs/dbraw/zinc/35/15/49/185351549.db2.gz FDOGJUGOHCQIFV-UHFFFAOYSA-N 0 0 315.333 0.181 50 0 DCAARN CCn1cc(S(=O)(=O)N[C@@H](CO)Cc2ccccc2)cn1 ZINC000095432913 185363698 /nfs/dbraw/zinc/36/36/98/185363698.db2.gz XWEBVFMRJIQQIT-CYBMUJFWSA-N 0 0 309.391 0.785 50 0 DCAARN COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2nc[nH]n2)c1C ZINC000095454408 185369779 /nfs/dbraw/zinc/36/97/79/185369779.db2.gz SQURZIBLFDBKHR-SECBINFHSA-N 0 0 324.362 0.939 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c(F)c1 ZINC000095455717 185369935 /nfs/dbraw/zinc/36/99/35/185369935.db2.gz QNPIYOXFSQNJLY-SNVBAGLBSA-N 0 0 302.327 0.009 50 0 DCAARN CN1CC[C@H](NC(=O)Cn2cnnn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000097031806 185399053 /nfs/dbraw/zinc/39/90/53/185399053.db2.gz YJZSPVYSNXJXGG-JSGCOSHPSA-N 0 0 322.319 0.513 50 0 DCAARN COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCOCC1 ZINC000019999719 190644896 /nfs/dbraw/zinc/64/48/96/190644896.db2.gz UCWXLQPEBXTLHL-CQSZACIVSA-N 0 0 309.362 0.970 50 0 DCAARN CC[C@@H]1CN(Cc2nnc3n2CCOC3)CCN1CC(F)F ZINC000225494998 201721170 /nfs/dbraw/zinc/72/11/70/201721170.db2.gz PAKIHJJFMFBMJV-LLVKDONJSA-N 0 0 315.368 0.970 50 0 DCAARN CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)NCC(F)(F)F ZINC000170081384 197768131 /nfs/dbraw/zinc/76/81/31/197768131.db2.gz VWTDZPDZRKGZPX-SFYZADRCSA-N 0 0 317.333 0.708 50 0 DCAARN Cc1ccc(CN2C[C@H](C(=O)N3CNC(=O)C3)CC2=O)cc1 ZINC000063882327 190701451 /nfs/dbraw/zinc/70/14/51/190701451.db2.gz MCAFDMDAXYGFPJ-CYBMUJFWSA-N 0 0 301.346 0.259 50 0 DCAARN O=C(CCc1nc2ccccc2[nH]1)N1CCNC(=O)[C@@H]1CCO ZINC000067587819 190711388 /nfs/dbraw/zinc/71/13/88/190711388.db2.gz BZLAFNIMNUCQOQ-ZDUSSCGKSA-N 0 0 316.361 0.205 50 0 DCAARN Cn1c(=O)ccn(CC(=O)N2CCOC3(CCCCC3)C2)c1=O ZINC000170641033 197797901 /nfs/dbraw/zinc/79/79/01/197797901.db2.gz BVYRQHLQFUOTFY-UHFFFAOYSA-N 0 0 321.377 0.109 50 0 DCAARN COC(=O)[C@](C)(COc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC000069844203 190827493 /nfs/dbraw/zinc/82/74/93/190827493.db2.gz NTJIKERYFQYLMJ-LRDDRELGSA-N 0 0 320.345 0.392 50 0 DCAARN C[C@@H](C(=O)N1CCO[C@@H](CO)C1)n1nnc(-c2ccccc2)n1 ZINC000083927555 192390675 /nfs/dbraw/zinc/39/06/75/192390675.db2.gz YPKNYCKLOJWSBR-WCQYABFASA-N 0 0 317.349 0.121 50 0 DCAARN O=S(=O)(NCc1ccccc1)NC[C@H]1CCS(=O)(=O)C1 ZINC000071752649 191023678 /nfs/dbraw/zinc/02/36/78/191023678.db2.gz AGXLNOXLFKJGAI-GFCCVEGCSA-N 0 0 318.420 0.045 50 0 DCAARN CCOC(=O)c1nccn1CCc1ccc(S(N)(=O)=O)cc1 ZINC000071755235 191024299 /nfs/dbraw/zinc/02/42/99/191024299.db2.gz KBFDXOXWKJQVRI-UHFFFAOYSA-N 0 0 323.374 0.950 50 0 DCAARN Cc1nc(SCC(=O)N2CCC[C@@]3(CNC(=O)O3)C2)n[nH]1 ZINC000072127277 191042898 /nfs/dbraw/zinc/04/28/98/191042898.db2.gz NOQVQDKGPFHXDG-GFCCVEGCSA-N 0 0 311.367 0.306 50 0 DCAARN COc1nc2c(cc1C(=O)N1CC[C@H](CO)[C@@H](O)C1)CCC2 ZINC000072137004 191045784 /nfs/dbraw/zinc/04/57/84/191045784.db2.gz JVKQVNYMABTIIS-RISCZKNCSA-N 0 0 306.362 0.394 50 0 DCAARN O=C(NCCN1CCOCC1)c1cccc(-n2cccn2)c1 ZINC000072137003 191045840 /nfs/dbraw/zinc/04/58/40/191045840.db2.gz DUZMWTRRJHTGTQ-UHFFFAOYSA-N 0 0 300.362 0.934 50 0 DCAARN CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1OC ZINC000072134596 191045858 /nfs/dbraw/zinc/04/58/58/191045858.db2.gz OHDNILVKDBUVEI-CYBMUJFWSA-N 0 0 305.378 0.522 50 0 DCAARN CCc1nc(C)ccc1OCC(=O)N1CCC[C@@](O)(CO)C1 ZINC000072134765 191046576 /nfs/dbraw/zinc/04/65/76/191046576.db2.gz DCVJEPNVOZLERC-INIZCTEOSA-N 0 0 308.378 0.677 50 0 DCAARN CNC(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl ZINC000072135502 191046859 /nfs/dbraw/zinc/04/68/59/191046859.db2.gz AJJCDCGUTKUGHP-GFCCVEGCSA-N 0 0 313.760 0.916 50 0 DCAARN Cc1nc2ccccc2n1CCC(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC000072150166 191056088 /nfs/dbraw/zinc/05/60/88/191056088.db2.gz GTXQELACYHSYDG-CJNGLKHVSA-N 0 0 317.389 0.937 50 0 DCAARN CCCc1nc(C)cc(N2CCN[C@H](C(=O)NC3CC3)C2)n1 ZINC000072149852 191056533 /nfs/dbraw/zinc/05/65/33/191056533.db2.gz WYPJPHZAIROWHP-ZDUSSCGKSA-N 0 0 303.410 0.794 50 0 DCAARN CC(C)c1nc(CCN(C)C(=O)C[C@@H]2C(=O)NCCN2C)no1 ZINC000072162487 191063449 /nfs/dbraw/zinc/06/34/49/191063449.db2.gz RWBMQOLEDWDCKO-LLVKDONJSA-N 0 0 323.397 0.014 50 0 DCAARN Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(N(C)C)nn1)C2 ZINC000072242392 191086207 /nfs/dbraw/zinc/08/62/07/191086207.db2.gz MJHMDAPIZIECLW-LLVKDONJSA-N 0 0 300.366 0.792 50 0 DCAARN O[C@H](COc1ccc2c(c1)OCO2)CN1CC(n2cccn2)C1 ZINC000072254017 191087184 /nfs/dbraw/zinc/08/71/84/191087184.db2.gz MIURIKYQPUOFAF-ZDUSSCGKSA-N 0 0 317.345 0.908 50 0 DCAARN O=C(CN1CCC[C@H](c2cc[nH]n2)C1)N[C@@H]1CCCCNC1=O ZINC000072270687 191094076 /nfs/dbraw/zinc/09/40/76/191094076.db2.gz DAFYZEFSOHFOSH-GXTWGEPZSA-N 0 0 319.409 0.374 50 0 DCAARN COCC(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 ZINC000225601114 186282392 /nfs/dbraw/zinc/28/23/92/186282392.db2.gz TUBMBDHHDVCASO-UHFFFAOYSA-N 0 0 306.366 0.150 50 0 DCAARN COC(=O)c1cccc(S(=O)(=O)NCCCCO)c1C ZINC000225658390 186287057 /nfs/dbraw/zinc/28/70/57/186287057.db2.gz LLTFQIBFLOPTSM-UHFFFAOYSA-N 0 0 301.364 0.832 50 0 DCAARN COc1cc(=O)n(C)cc1C(=O)N1CCC2(CC1)OCCO2 ZINC000225651882 186287256 /nfs/dbraw/zinc/28/72/56/186287256.db2.gz IGURAOPGZCCNPZ-UHFFFAOYSA-N 0 0 308.334 0.373 50 0 DCAARN O=C1[C@H]2CCCN2C(=O)N1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000253393858 186303812 /nfs/dbraw/zinc/30/38/12/186303812.db2.gz AMTGJRSNDINTSL-SFYZADRCSA-N 0 0 305.256 0.576 50 0 DCAARN CS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000253394997 186304496 /nfs/dbraw/zinc/30/44/96/186304496.db2.gz RXSHQLIMLOSTRK-ZYHUDNBSSA-N 0 0 310.375 0.949 50 0 DCAARN CNS(=O)(=O)NCC(=O)NCCc1c[nH]c2c1cccc2C ZINC000253404608 186307794 /nfs/dbraw/zinc/30/77/94/186307794.db2.gz NGNRBDJFSCGBIO-UHFFFAOYSA-N 0 0 324.406 0.189 50 0 DCAARN NS(=O)(=O)CCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000072304060 191116779 /nfs/dbraw/zinc/11/67/79/191116779.db2.gz GAAARQCKGILZDT-WPRPVWTQSA-N 0 0 304.318 0.473 50 0 DCAARN Cc1nc(-c2ccccc2O)nn1CC(=O)N1CCOCC1 ZINC000072370102 191139397 /nfs/dbraw/zinc/13/93/97/191139397.db2.gz ZLWVXSYCSTXOOA-UHFFFAOYSA-N 0 0 302.334 0.818 50 0 DCAARN Cn1nnc(-c2ccc(NC(=O)CCN3CCOCC3)cc2)n1 ZINC000072400520 191150753 /nfs/dbraw/zinc/15/07/53/191150753.db2.gz BELODIFQJKIHGB-UHFFFAOYSA-N 0 0 316.365 0.538 50 0 DCAARN Cc1cccc(CN2CCN(C(=O)CCn3cnnn3)CC2)c1 ZINC000072426472 191160866 /nfs/dbraw/zinc/16/08/66/191160866.db2.gz KDYUCPFLVHTOEP-UHFFFAOYSA-N 0 0 314.393 0.716 50 0 DCAARN Cc1nn2c(nc(C)cc2NCCN(C)S(C)(=O)=O)c1C ZINC000072447667 191169281 /nfs/dbraw/zinc/16/92/81/191169281.db2.gz HEBRMJRAXNGTTB-UHFFFAOYSA-N 0 0 311.411 0.958 50 0 DCAARN O=C(NCCCn1nccc1C1CC1)[C@@H]1NCCc2nc[nH]c21 ZINC000072462582 191172550 /nfs/dbraw/zinc/17/25/50/191172550.db2.gz AAGPYKCEVBBIJD-OAHLLOKOSA-N 0 0 314.393 0.877 50 0 DCAARN COc1cccc(OC[C@@H]2CCCN(C(=O)CNC(N)=O)C2)c1 ZINC000072481080 191181534 /nfs/dbraw/zinc/18/15/34/191181534.db2.gz WROQUXPTGDAREH-GFCCVEGCSA-N 0 0 321.377 0.981 50 0 DCAARN O=C(NCc1cccc(Cl)c1)C(=O)N[C@H]1CCCCNC1=O ZINC000002147674 180912200 /nfs/dbraw/zinc/91/22/00/180912200.db2.gz BSWQCHNZFNNZBX-LBPRGKRZSA-N 0 0 323.780 0.741 50 0 DCAARN COCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000003021161 180977403 /nfs/dbraw/zinc/97/74/03/180977403.db2.gz FYKVURHRFMTEOD-UHFFFAOYSA-N 0 0 300.380 0.426 50 0 DCAARN COc1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 ZINC000003329450 181006189 /nfs/dbraw/zinc/00/61/89/181006189.db2.gz YPQUIDZEBRSMST-UHFFFAOYSA-N 0 0 313.317 0.777 50 0 DCAARN NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000003312618 181003679 /nfs/dbraw/zinc/00/36/79/181003679.db2.gz AXSFOWYISZSPBM-UHFFFAOYSA-N 0 0 305.117 0.752 50 0 DCAARN CNC(=O)NC(=O)COC(=O)c1cc(Cl)c(N)cc1OC ZINC000003450323 181021813 /nfs/dbraw/zinc/02/18/13/181021813.db2.gz LSWPTLPIUANATB-UHFFFAOYSA-N 0 0 315.713 0.543 50 0 DCAARN COCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O ZINC000003461127 181023415 /nfs/dbraw/zinc/02/34/15/181023415.db2.gz AJKTWSMHGIFPEU-MRXNPFEDSA-N 0 0 319.361 0.525 50 0 DCAARN O=C(COc1cccc(-n2cnnn2)c1)NCC(F)(F)F ZINC000003503733 181026872 /nfs/dbraw/zinc/02/68/72/181026872.db2.gz XYRBEZAFCCYPOV-UHFFFAOYSA-N 0 0 301.228 0.720 50 0 DCAARN NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000003908645 181056737 /nfs/dbraw/zinc/05/67/37/181056737.db2.gz LYQJJOOVZHWLHL-UHFFFAOYSA-N 0 0 315.329 0.168 50 0 DCAARN O[C@@H]1CO[C@H](Nc2ccc(Br)cc2)[C@@H](O)[C@@H]1O ZINC000004126446 181076751 /nfs/dbraw/zinc/07/67/51/181076751.db2.gz XNRPWNFGHKJOMI-ZNSHCXBVSA-N 0 0 304.140 0.300 50 0 DCAARN CCCNC(=O)N[C@@H]1[C@@H](NC(=O)NCCC)N(C)C(=O)N1C ZINC000004186751 181082963 /nfs/dbraw/zinc/08/29/63/181082963.db2.gz BJIJZMUZMSFHAB-UWVGGRQHSA-N 0 0 314.390 0.054 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1C ZINC000004505468 181116834 /nfs/dbraw/zinc/11/68/34/181116834.db2.gz RQUYTZVUDZTQME-JTQLQIEISA-N 0 0 319.404 0.469 50 0 DCAARN COc1ccc(CNC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000004523350 181119501 /nfs/dbraw/zinc/11/95/01/181119501.db2.gz HGAUWMHWLPPEKV-UHFFFAOYSA-N 0 0 305.334 0.642 50 0 DCAARN COc1ccc([C@@H]2NC(=S)NC(C)=C2C(N)=O)c(OC)c1 ZINC000004574702 181125895 /nfs/dbraw/zinc/12/58/95/181125895.db2.gz XRZAAOHGMCLOTO-LBPRGKRZSA-N 0 0 307.375 0.982 50 0 DCAARN Cc1cc(-c2nnc(SCC(=O)N3CCOCC3)o2)no1 ZINC000004735842 181144591 /nfs/dbraw/zinc/14/45/91/181144591.db2.gz JOAQSHDDPIIQGW-UHFFFAOYSA-N 0 0 310.335 0.984 50 0 DCAARN O=C(NCc1ccc(Cl)cc1)c1nnc(-n2cnnc2)[nH]1 ZINC000004772714 181150413 /nfs/dbraw/zinc/15/04/13/181150413.db2.gz PXOPCLRGGCEUBE-UHFFFAOYSA-N 0 0 303.713 0.969 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccccc3F)C(=O)[C@]2(C)NN1 ZINC000004844461 181162032 /nfs/dbraw/zinc/16/20/32/181162032.db2.gz WFVRFFIRAMABOE-LKFCYVNXSA-N 0 0 305.265 0.206 50 0 DCAARN COCCNC(=O)Cn1nc(-c2ccccc2F)ccc1=O ZINC000004968206 181181469 /nfs/dbraw/zinc/18/14/69/181181469.db2.gz SLCSELMJIANJMZ-UHFFFAOYSA-N 0 0 305.309 0.812 50 0 DCAARN CCOC(=O)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000004973915 181182361 /nfs/dbraw/zinc/18/23/61/181182361.db2.gz TWDSJCZGISSVAI-UHFFFAOYSA-N 0 0 309.274 0.761 50 0 DCAARN O=C(Nc1ccncc1)c1c[nH]c(=O)n(Cc2ccco2)c1=O ZINC000075172498 191438979 /nfs/dbraw/zinc/43/89/79/191438979.db2.gz PNEDQNSKHJGBDH-UHFFFAOYSA-N 0 0 312.285 0.825 50 0 DCAARN COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)NCc1ccccc1 ZINC000004992835 181186739 /nfs/dbraw/zinc/18/67/39/181186739.db2.gz DEIJUOUQGHJCJM-LBPRGKRZSA-N 0 0 302.330 0.886 50 0 DCAARN CCc1nnc(-c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)o1 ZINC000075428092 191472751 /nfs/dbraw/zinc/47/27/51/191472751.db2.gz KQPLQOGFYZSYPL-UHFFFAOYSA-N 0 0 312.351 0.648 50 0 DCAARN CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CCc3nccn3C2)o1 ZINC000075581996 191495061 /nfs/dbraw/zinc/49/50/61/191495061.db2.gz PQWWNTWKWWUFDR-SNVBAGLBSA-N 0 0 323.374 0.766 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)C2)cc1 ZINC000004999038 181188236 /nfs/dbraw/zinc/18/82/36/181188236.db2.gz KQIVKYHOROBAML-UHFFFAOYSA-N 0 0 313.379 0.641 50 0 DCAARN COC(=O)Cn1cnc2c(nnn2-c2cccc(OC)c2)c1=O ZINC000005033196 181193774 /nfs/dbraw/zinc/19/37/74/181193774.db2.gz UYEHCUAJVODDON-UHFFFAOYSA-N 0 0 315.289 0.159 50 0 DCAARN CN(Cc1nc(-c2cccnc2)no1)C(=O)c1c[nH]c(=O)cn1 ZINC000077389754 191707143 /nfs/dbraw/zinc/70/71/43/191707143.db2.gz ZDYRCFOOLSLDOM-UHFFFAOYSA-N 0 0 312.289 0.487 50 0 DCAARN CC[C@H](CO)NC(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000005190780 181214927 /nfs/dbraw/zinc/21/49/27/181214927.db2.gz WJVWWFMRJVWPMP-NEPJUHHUSA-N 0 0 321.377 0.871 50 0 DCAARN CN(C)S(=O)(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000005222278 181218322 /nfs/dbraw/zinc/21/83/22/181218322.db2.gz QSRAHVNBQBHBEK-JTQLQIEISA-N 0 0 317.798 0.841 50 0 DCAARN NC(=O)c1ccc(NC(=O)COn2nnc3ccccc32)cc1 ZINC000005404254 181240033 /nfs/dbraw/zinc/24/00/33/181240033.db2.gz OFVZROYKGKEPBJ-UHFFFAOYSA-N 0 0 311.301 0.598 50 0 DCAARN CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C ZINC000005339877 181231516 /nfs/dbraw/zinc/23/15/16/181231516.db2.gz PCXAIZTYYZGUAA-UHFFFAOYSA-N 0 0 311.363 0.219 50 0 DCAARN O=C(NCc1ccco1)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000005353253 181233773 /nfs/dbraw/zinc/23/37/73/181233773.db2.gz ASLLAMMPILDYKC-GFCCVEGCSA-N 0 0 308.334 0.698 50 0 DCAARN Cn1cc(CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CO)C2)c2ccccc21 ZINC000085468458 192510779 /nfs/dbraw/zinc/51/07/79/192510779.db2.gz DWANSIOHSGWLFP-DVOMOZLQSA-N 0 0 302.374 0.969 50 0 DCAARN CNC(=O)CCNC(=O)C[C@H]1c2ccccc2CCN1C(C)=O ZINC000069490329 283306999 /nfs/dbraw/zinc/30/69/99/283306999.db2.gz VJOZGJDRNSNTCF-HNNXBMFYSA-N 0 0 317.389 0.775 50 0 DCAARN CN(CC(=O)N1CCOCC1)S(=O)(=O)c1cccs1 ZINC000005938364 181298688 /nfs/dbraw/zinc/29/86/88/181298688.db2.gz QTUWPWWFYCKBPV-UHFFFAOYSA-N 0 0 304.393 0.227 50 0 DCAARN Cc1ccc([C@@H](CNC(=O)NCCCO)N2CCOCC2)o1 ZINC000089652521 192835193 /nfs/dbraw/zinc/83/51/93/192835193.db2.gz ZJTSIHHGTQXSOM-CYBMUJFWSA-N 0 0 311.382 0.643 50 0 DCAARN CC(C)(C)OC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000089662488 192837481 /nfs/dbraw/zinc/83/74/81/192837481.db2.gz XUAROYMBWWDSCZ-WDEREUQCSA-N 0 0 320.411 0.009 50 0 DCAARN CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000006681584 283464598 /nfs/dbraw/zinc/46/45/98/283464598.db2.gz XFOAJXYWXJFNNN-IUCAKERBSA-N 0 0 318.420 0.906 50 0 DCAARN C[C@H]1CN(S(=O)(=O)c2ccccc2S(C)(=O)=O)CCN1 ZINC000237694469 202330715 /nfs/dbraw/zinc/33/07/15/202330715.db2.gz FXELPRZIGJWSKS-JTQLQIEISA-N 0 0 318.420 0.073 50 0 DCAARN Cc1ccc([C@@H](CNC(=O)c2[nH]nnc2C)N2CCOCC2)o1 ZINC000188492733 200255258 /nfs/dbraw/zinc/25/52/58/200255258.db2.gz XYAHAXXRSSNTMS-GFCCVEGCSA-N 0 0 319.365 0.818 50 0 DCAARN CCNC(=O)N1CCC(NC(=O)CCCn2cccn2)CC1 ZINC000244594143 202484223 /nfs/dbraw/zinc/48/42/23/202484223.db2.gz DHDWFIBINVACAC-UHFFFAOYSA-N 0 0 307.398 0.973 50 0 DCAARN COC[C@@H]1CN(c2ccccc2S(=O)(=O)N(C)C)CCO1 ZINC000408518464 239271028 /nfs/dbraw/zinc/27/10/28/239271028.db2.gz JMDLYVVSORNYDN-LBPRGKRZSA-N 0 0 314.407 0.789 50 0 DCAARN CC(C)(C)OC(=O)N1CCC(n2nnc(C(N)=O)c2N)CC1 ZINC000006747043 181381854 /nfs/dbraw/zinc/38/18/54/181381854.db2.gz GRPURKUJNOEXBP-UHFFFAOYSA-N 0 0 310.358 0.531 50 0 DCAARN CCOCCCNC(=O)CCCn1nc(C)n2ccnc2c1=O ZINC000006750497 181383382 /nfs/dbraw/zinc/38/33/82/181383382.db2.gz JJSNUINBDMUUPT-UHFFFAOYSA-N 0 0 321.381 0.522 50 0 DCAARN CCn1cc(C2=NO[C@@H](C(=O)NC[C@@H]3CCCO3)C2)c(C)n1 ZINC000006804900 181392043 /nfs/dbraw/zinc/39/20/43/181392043.db2.gz HEOVTMGUVIZSNV-SMDDNHRTSA-N 0 0 306.366 1.000 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)cc1C ZINC000006826020 181395633 /nfs/dbraw/zinc/39/56/33/181395633.db2.gz HNSSEIUUHCVWDR-NSHDSACASA-N 0 0 312.391 0.890 50 0 DCAARN Cc1ccc([C@@H](C(=O)NCc2noc(C(N)=O)n2)N(C)C)cc1 ZINC000091289336 193031720 /nfs/dbraw/zinc/03/17/20/193031720.db2.gz QWBKDWFXARWEDA-LBPRGKRZSA-N 0 0 317.349 0.396 50 0 DCAARN Cc1ccc([C@H](C(=O)NCc2noc(C(N)=O)n2)N(C)C)cc1 ZINC000091289337 193032072 /nfs/dbraw/zinc/03/20/72/193032072.db2.gz QWBKDWFXARWEDA-GFCCVEGCSA-N 0 0 317.349 0.396 50 0 DCAARN COC(=O)c1cc(=O)n(Cc2cccc3nsnc32)c(=O)[nH]1 ZINC000091301796 193036038 /nfs/dbraw/zinc/03/60/38/193036038.db2.gz AGBORXIXAFAWLF-UHFFFAOYSA-N 0 0 318.314 0.789 50 0 DCAARN NC(=O)c1ccc(N2CCN(c3ncccc3Cl)CC2)nn1 ZINC000091457007 193058760 /nfs/dbraw/zinc/05/87/60/193058760.db2.gz MAVUORRZABWJHF-UHFFFAOYSA-N 0 0 318.768 0.951 50 0 DCAARN O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC[C@](CO)(CC2CC2)C1 ZINC000091412382 193053004 /nfs/dbraw/zinc/05/30/04/193053004.db2.gz XFEVPRSUPDGCCP-HNNXBMFYSA-N 0 0 307.350 0.490 50 0 DCAARN O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC[C@@](CO)(CC2CC2)C1 ZINC000091412388 193053121 /nfs/dbraw/zinc/05/31/21/193053121.db2.gz XFEVPRSUPDGCCP-OAHLLOKOSA-N 0 0 307.350 0.490 50 0 DCAARN O=C(NCCCn1ccnn1)[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000091603363 193078571 /nfs/dbraw/zinc/07/85/71/193078571.db2.gz PQUQDEQWAOIHEJ-ZDUSSCGKSA-N 0 0 319.409 0.966 50 0 DCAARN CCN1C[C@H](C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)CCC1=O ZINC000091726102 193097776 /nfs/dbraw/zinc/09/77/76/193097776.db2.gz BYGXFBXBOBDYNX-LLVKDONJSA-N 0 0 318.377 0.189 50 0 DCAARN O=C(NCCc1c[nH]cn1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000091754794 193102183 /nfs/dbraw/zinc/10/21/83/193102183.db2.gz RJQLYWVTVNCOJT-LBPRGKRZSA-N 0 0 313.361 0.512 50 0 DCAARN CN1C(=O)[C@H](CC(=O)NCCCc2ccccn2)N(C)C1=O ZINC000091794350 193109219 /nfs/dbraw/zinc/10/92/19/193109219.db2.gz CEOAUEACJNZMPT-LBPRGKRZSA-N 0 0 304.350 0.413 50 0 DCAARN COc1ccc(CCN2C[C@@H](C(=O)NCCO)CCC2=O)cc1 ZINC000091914583 193125779 /nfs/dbraw/zinc/12/57/79/193125779.db2.gz WKLCAFUJXACCRS-AWEZNQCLSA-N 0 0 320.389 0.585 50 0 DCAARN CCOc1ncccc1CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC000091944000 193130097 /nfs/dbraw/zinc/13/00/97/193130097.db2.gz HNELGMSXBYEHJG-SNVBAGLBSA-N 0 0 306.322 0.085 50 0 DCAARN CCNC(=O)CN1CCN(C(=O)c2ncc(F)cc2F)CC1 ZINC000092081435 193154721 /nfs/dbraw/zinc/15/47/21/193154721.db2.gz OKXFGRPMNFRJGY-UHFFFAOYSA-N 0 0 312.320 0.254 50 0 DCAARN COC(=O)CS[C@@H]1CCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000217569134 201519002 /nfs/dbraw/zinc/51/90/02/201519002.db2.gz NWSWYHYJGMQFDX-SECBINFHSA-N 0 0 319.408 0.089 50 0 DCAARN CCCc1nc(CNC(=O)CC[C@@H]2NC(=O)NC2=O)cs1 ZINC000092099962 193158265 /nfs/dbraw/zinc/15/82/65/193158265.db2.gz REEDUKFHRFDCDR-VIFPVBQESA-N 0 0 310.379 0.700 50 0 DCAARN Cc1cc(N)n(CC(=O)NCc2noc([C@@H]3CCCO3)n2)n1 ZINC000219500877 201558037 /nfs/dbraw/zinc/55/80/37/201558037.db2.gz UCUKMOODHPOFPJ-VIFPVBQESA-N 0 0 306.326 0.325 50 0 DCAARN Cc1nonc1CC(=O)N[C@@H](c1cnn(C)c1)C1CC(O)C1 ZINC000219719246 201561855 /nfs/dbraw/zinc/56/18/55/201561855.db2.gz WCZBCDMKIZBIIZ-PFMWSLTASA-N 0 0 305.338 0.282 50 0 DCAARN Cc1n[nH]c(C)c1CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000220224886 201571955 /nfs/dbraw/zinc/57/19/55/201571955.db2.gz KTWNUEMHOICTDZ-SNVBAGLBSA-N 0 0 302.400 0.013 50 0 DCAARN CC[C@@H](NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)c1nccs1 ZINC000223344408 201641147 /nfs/dbraw/zinc/64/11/47/201641147.db2.gz ACEZVAYLGULVBQ-SECBINFHSA-N 0 0 308.363 0.638 50 0 DCAARN CC1(C)NC(=O)N(CC(=O)NCC2(Cn3cccn3)CC2)C1=O ZINC000223365517 201643079 /nfs/dbraw/zinc/64/30/79/201643079.db2.gz FPYVTPKTGODAJT-UHFFFAOYSA-N 0 0 319.365 0.110 50 0 DCAARN O=C(Cn1nc2ccccc2n1)NCc1nnc2n1CCCC2 ZINC000223428164 201644607 /nfs/dbraw/zinc/64/46/07/201644607.db2.gz UHXCUPFDQNTKEZ-UHFFFAOYSA-N 0 0 311.349 0.676 50 0 DCAARN O=C(CCc1cccnc1)N1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000252485120 202842536 /nfs/dbraw/zinc/84/25/36/202842536.db2.gz GNUUPFXKPCRADD-UHFFFAOYSA-N 0 0 314.349 0.117 50 0 DCAARN O=S(=O)(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)N1CCCC1 ZINC000252536841 202862676 /nfs/dbraw/zinc/86/26/76/202862676.db2.gz JQXXCALKPUIRJZ-OBJOEFQTSA-N 0 0 311.407 0.824 50 0 DCAARN Cn1cc(S(=O)(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)cn1 ZINC000253473681 202891668 /nfs/dbraw/zinc/89/16/68/202891668.db2.gz XCGZEZBVUKOUKH-JLLWLGSASA-N 0 0 301.368 0.035 50 0 DCAARN O=C(/C=C/c1ccccc1)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000007058563 181436603 /nfs/dbraw/zinc/43/66/03/181436603.db2.gz QDAOYASWNFHGMP-KTRBRXNASA-N 0 0 323.370 0.546 50 0 DCAARN COC(=O)[C@H]1C(=O)CCN(Cc2ccccc2)[C@@H]1C(=O)OC ZINC000261508020 203074099 /nfs/dbraw/zinc/07/40/99/203074099.db2.gz OYUQDMYUAQYUDR-KBPBESRZSA-N 0 0 305.330 0.792 50 0 DCAARN CN([C@@H](C(N)=O)c1cccc(Br)c1)S(C)(=O)=O ZINC000093049706 193198552 /nfs/dbraw/zinc/19/85/52/193198552.db2.gz UTOMRUZATOGCHS-SECBINFHSA-N 0 0 321.196 0.867 50 0 DCAARN CCc1ncc(C(=O)N2CCC(NS(C)(=O)=O)CC2)cn1 ZINC000095361808 193431537 /nfs/dbraw/zinc/43/15/37/193431537.db2.gz NCXZNJPHHZLBGQ-UHFFFAOYSA-N 0 0 312.395 0.193 50 0 DCAARN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2c[nH]c(C)cc2=O)on1 ZINC000095377069 193437627 /nfs/dbraw/zinc/43/76/27/193437627.db2.gz OEZHGQQMZCUFII-RISCZKNCSA-N 0 0 317.345 0.967 50 0 DCAARN Cn1nnnc1COc1ccccc1C(=O)N1CCOCC1 ZINC000096101371 193537827 /nfs/dbraw/zinc/53/78/27/193537827.db2.gz JWIPSVDLYKAOMJ-UHFFFAOYSA-N 0 0 303.322 0.262 50 0 DCAARN CS(=O)(=O)[C@H]1CCN(C(=O)c2cnc3ccccc3n2)C1 ZINC000096364963 193615971 /nfs/dbraw/zinc/61/59/71/193615971.db2.gz PMQHXODNTTZWKO-JTQLQIEISA-N 0 0 305.359 0.889 50 0 DCAARN COCCN(CC(=O)N(C)C)c1ncc(Br)cn1 ZINC000096447426 193650725 /nfs/dbraw/zinc/65/07/25/193650725.db2.gz JCTKDDQTTXMNNE-UHFFFAOYSA-N 0 0 317.187 0.780 50 0 DCAARN NC(=O)[C@@H]1CCCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)C1 ZINC000008013203 181518427 /nfs/dbraw/zinc/51/84/27/181518427.db2.gz YPQDCKHIRAGVRM-SNVBAGLBSA-N 0 0 314.345 0.190 50 0 DCAARN Cc1ccc(Br)c(S(=O)(=O)NCCC(N)=O)c1 ZINC000096487433 193667256 /nfs/dbraw/zinc/66/72/56/193667256.db2.gz INDUQOWRGFMWJZ-UHFFFAOYSA-N 0 0 321.196 0.911 50 0 DCAARN CC(C)Cn1ncnc1CN1CCC[C@H]1C(=O)N1CCOCC1 ZINC000096497114 193671843 /nfs/dbraw/zinc/67/18/43/193671843.db2.gz HAPXSPJGTKUYHQ-AWEZNQCLSA-N 0 0 321.425 0.757 50 0 DCAARN COc1ccc(N2C[C@H](C(=O)NCCO)CC2=O)cc1Cl ZINC000012408305 181757768 /nfs/dbraw/zinc/75/77/68/181757768.db2.gz MSSFYQOYJDMLIM-SECBINFHSA-N 0 0 312.753 0.810 50 0 DCAARN CC(=O)NCCNC(=O)c1sc2[nH]c(C)nc(=O)c2c1C ZINC000012762281 181794385 /nfs/dbraw/zinc/79/43/85/181794385.db2.gz KLLUUPBWKYFCII-UHFFFAOYSA-N 0 0 308.363 0.467 50 0 DCAARN CN(CCOc1ccccc1F)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000014139204 181929555 /nfs/dbraw/zinc/92/95/55/181929555.db2.gz RFXVDYRVBLAZKQ-UHFFFAOYSA-N 0 0 321.308 0.213 50 0 DCAARN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)N1CCOCC1 ZINC000015879760 182023672 /nfs/dbraw/zinc/02/36/72/182023672.db2.gz NDNDVANASDBDIF-UHFFFAOYSA-N 0 0 316.313 0.544 50 0 DCAARN CCC(=O)Nc1cc(S(=O)(=O)NCCOC)ccc1OC ZINC000016577026 182049784 /nfs/dbraw/zinc/04/97/84/182049784.db2.gz GZNAFFUZTGUCEY-UHFFFAOYSA-N 0 0 316.379 0.968 50 0 DCAARN CN1N=C(C(=O)OCC(=O)NC2CCCCCC2)CCC1=O ZINC000017734553 182085427 /nfs/dbraw/zinc/08/54/27/182085427.db2.gz DOSMOODNZUBEGC-UHFFFAOYSA-N 0 0 309.366 0.977 50 0 DCAARN CNC(=O)CN(C)c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000018057262 182091304 /nfs/dbraw/zinc/09/13/04/182091304.db2.gz VUNZAPMOEGNEMW-UHFFFAOYSA-N 0 0 312.395 0.048 50 0 DCAARN C[C@@H]1CCCCN1CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 ZINC000018904343 182103220 /nfs/dbraw/zinc/10/32/20/182103220.db2.gz ISDUPXYUUHOCCO-SNVBAGLBSA-N 0 0 318.377 0.697 50 0 DCAARN CCOC(=O)CN[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000019337492 182116982 /nfs/dbraw/zinc/11/69/82/182116982.db2.gz OQXRQAUZGCNWMV-LBPRGKRZSA-N 0 0 306.318 0.480 50 0 DCAARN O=C(NCCCN1CCOCC1)C(=O)NCCc1ccccc1 ZINC000019831215 182153991 /nfs/dbraw/zinc/15/39/91/182153991.db2.gz XEXNBQLZJZLRPK-UHFFFAOYSA-N 0 0 319.405 0.184 50 0 DCAARN O=C1NC(=O)C(N2CCN(Cc3ccccc3)CC2)=C1Cl ZINC000019912172 182163809 /nfs/dbraw/zinc/16/38/09/182163809.db2.gz HGOVZTGQTJEDKN-UHFFFAOYSA-N 0 0 305.765 0.911 50 0 DCAARN O=C(NCCN1CCOCC1)[C@@H]1CC(c2ccccc2F)=NO1 ZINC000019894426 182161629 /nfs/dbraw/zinc/16/16/29/182161629.db2.gz RMPUUQZWZSNGFJ-HNNXBMFYSA-N 0 0 321.352 0.767 50 0 DCAARN Cc1nc(C)c(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000019937489 182166915 /nfs/dbraw/zinc/16/69/15/182166915.db2.gz CRAOISYXPLAPCP-UHFFFAOYSA-N 0 0 315.329 0.974 50 0 DCAARN COc1ccc(C(=O)NC(=S)NCCN2CCOCC2)cc1 ZINC000020149089 182192196 /nfs/dbraw/zinc/19/21/96/182192196.db2.gz REQFRMWYNRMKSZ-UHFFFAOYSA-N 0 0 323.418 0.632 50 0 DCAARN CC[C@@H](C)[C@H](NC(=O)NCCCN1CCOCC1)C(=O)OC ZINC000020357792 182211067 /nfs/dbraw/zinc/21/10/67/182211067.db2.gz CTWCFLTWOSPUGK-OLZOCXBDSA-N 0 0 315.414 0.596 50 0 DCAARN O=c1c(=O)n(CN2CCOCC2)nc2sc3ccccc3n21 ZINC000020432172 182217192 /nfs/dbraw/zinc/21/71/92/182217192.db2.gz AALRADJVBCKTNE-UHFFFAOYSA-N 0 0 318.358 0.361 50 0 DCAARN O=C(CCC(=O)N1CCNC(=O)C1)Nc1ccc2c(c1)CCC2 ZINC000020560649 182232688 /nfs/dbraw/zinc/23/26/88/182232688.db2.gz YNVKSISEDNPCIE-UHFFFAOYSA-N 0 0 315.373 0.852 50 0 DCAARN O=S1(=O)CC[C@H](n2nc(C3CCOCC3)nc2CO)C1 ZINC000097717271 193750227 /nfs/dbraw/zinc/75/02/27/193750227.db2.gz FZJYRBNDIMHWGX-JTQLQIEISA-N 0 0 301.368 0.024 50 0 DCAARN CSCC[C@H]1NC(=O)N(CC(=O)N[C@H](C)C(C)C)C1=O ZINC000020823637 182247719 /nfs/dbraw/zinc/24/77/19/182247719.db2.gz MGBWCHCVSRQOHR-NXEZZACHSA-N 0 0 301.412 0.821 50 0 DCAARN CCOC(=O)c1cc(S(=O)(=O)NCc2ccccn2)n[nH]1 ZINC000021096581 182265391 /nfs/dbraw/zinc/26/53/91/182265391.db2.gz FZMPTIOVLQWTJS-UHFFFAOYSA-N 0 0 310.335 0.460 50 0 DCAARN CNC(=O)NC(=O)CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O ZINC000021267962 182270279 /nfs/dbraw/zinc/27/02/79/182270279.db2.gz HSQHPZXCVNVKCD-QMMMGPOBSA-N 0 0 322.296 0.438 50 0 DCAARN O=C(CSc1nc2[nH]cnc2c(=O)[nH]1)NC[C@@H]1CCCO1 ZINC000021807785 182292120 /nfs/dbraw/zinc/29/21/20/182292120.db2.gz FHMVWQXOLRWZRI-ZETCQYMHSA-N 0 0 309.351 0.446 50 0 DCAARN CC1CCC2(CC1)NC(=O)N(CN1CCC(C(N)=O)CC1)C2=O ZINC000021763323 182287571 /nfs/dbraw/zinc/28/75/71/182287571.db2.gz SCIVBTRPPYJJLW-UHFFFAOYSA-N 0 0 322.409 0.642 50 0 DCAARN CN(CC(=O)NC(C)(C)C)Cn1nc2n(c1=O)CCCCC2 ZINC000021995753 182302431 /nfs/dbraw/zinc/30/24/31/182302431.db2.gz GZPQJPAGIMGACT-UHFFFAOYSA-N 0 0 309.414 0.575 50 0 DCAARN Cc1nn(C)c(C)c1CC(=O)NCC(=O)NCc1ccco1 ZINC000022318917 182317755 /nfs/dbraw/zinc/31/77/55/182317755.db2.gz WZVOHZMJMAOPPJ-UHFFFAOYSA-N 0 0 304.350 0.605 50 0 DCAARN O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(=O)[nH]c1 ZINC000022225618 182313323 /nfs/dbraw/zinc/31/33/23/182313323.db2.gz GKYUAGXSZLWAEZ-UHFFFAOYSA-N 0 0 300.318 0.859 50 0 DCAARN Cc1ccc(-c2noc(CCC(=O)N3CCNC(=O)C3)n2)cc1 ZINC000023420701 182360693 /nfs/dbraw/zinc/36/06/93/182360693.db2.gz MKZNAXOHKRYYFZ-UHFFFAOYSA-N 0 0 314.345 0.936 50 0 DCAARN C[C@@]1(C(=O)N2CCC(n3cc(CO)nn3)CC2)CCCCO1 ZINC000023506723 182362326 /nfs/dbraw/zinc/36/23/26/182362326.db2.gz UXKYAHHPDIFWEU-HNNXBMFYSA-N 0 0 308.382 0.893 50 0 DCAARN C[C@]1(C(=O)N2CCC(n3cc(CO)nn3)CC2)CCCCO1 ZINC000023506726 182362331 /nfs/dbraw/zinc/36/23/31/182362331.db2.gz UXKYAHHPDIFWEU-OAHLLOKOSA-N 0 0 308.382 0.893 50 0 DCAARN CCOC(=O)C(=CNC(=CC(N)=O)SC)C(=O)OCC ZINC000023584305 182363856 /nfs/dbraw/zinc/36/38/56/182363856.db2.gz CGQLPLXKHDEUNB-POHAHGRESA-N 0 0 302.352 0.276 50 0 DCAARN COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCNC(=O)C1 ZINC000023709548 182366954 /nfs/dbraw/zinc/36/69/54/182366954.db2.gz GGWKGVLUAMVEAN-ZDUSSCGKSA-N 0 0 322.361 0.069 50 0 DCAARN COC(=O)c1cccc(NC(=O)CN2CCN(C(C)=O)CC2)c1 ZINC000024165139 182375765 /nfs/dbraw/zinc/37/57/65/182375765.db2.gz ZRLSSGZQSRTMTE-UHFFFAOYSA-N 0 0 319.361 0.576 50 0 DCAARN Cn1cc(N2CC[C@@H](NC(=O)Cc3cccs3)C2=O)cn1 ZINC000098010397 193774152 /nfs/dbraw/zinc/77/41/52/193774152.db2.gz KIADEYMSSVDAEI-GFCCVEGCSA-N 0 0 304.375 0.946 50 0 DCAARN COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(OCC(N)=O)cc1 ZINC000024726845 182389004 /nfs/dbraw/zinc/38/90/04/182389004.db2.gz MWIQEEYLFOUOPB-CYBMUJFWSA-N 0 0 322.361 0.868 50 0 DCAARN Cc1c(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cnn1C ZINC000024685267 182387709 /nfs/dbraw/zinc/38/77/09/182387709.db2.gz YKCHXRZQEIWQMT-NSHDSACASA-N 0 0 314.411 0.272 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(F)cc(F)c1 ZINC000025021004 182399558 /nfs/dbraw/zinc/39/95/58/182399558.db2.gz FDTYHWCGAUDHLP-LLVKDONJSA-N 0 0 312.272 0.469 50 0 DCAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cnn(C)c1)C2=O ZINC000025305477 182408117 /nfs/dbraw/zinc/40/81/17/182408117.db2.gz YEYQIEORMVALHO-BMIGLBTASA-N 0 0 319.365 0.859 50 0 DCAARN Cn1cc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cn1 ZINC000025308191 182408132 /nfs/dbraw/zinc/40/81/32/182408132.db2.gz MKOLYVONZYTEKJ-UHFFFAOYSA-N 0 0 305.313 0.997 50 0 DCAARN CC(=O)N1CCN(Cc2nnnn2Cc2ccccc2)CC1 ZINC000029694258 182574293 /nfs/dbraw/zinc/57/42/93/182574293.db2.gz FNDNZLIXVGBPAI-UHFFFAOYSA-N 0 0 300.366 0.386 50 0 DCAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)NC(N)=O ZINC000030004342 296229697 /nfs/dbraw/zinc/22/96/97/296229697.db2.gz OKBQLUWKFLPCRA-VIFPVBQESA-N 0 0 313.379 0.278 50 0 DCAARN CN1CC(=O)N(C[C@@H](O)COCc2ccc3c(c2)OCO3)C1=O ZINC000032750838 182659151 /nfs/dbraw/zinc/65/91/51/182659151.db2.gz WSSJAHBGNZBNRZ-LLVKDONJSA-N 0 0 322.317 0.187 50 0 DCAARN CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000036389687 182822340 /nfs/dbraw/zinc/82/23/40/182822340.db2.gz MGRSMESFRIKPRY-UHFFFAOYSA-N 0 0 319.361 0.560 50 0 DCAARN CCCn1nc(C(=O)NCc2ccc(C(N)=O)cc2)ccc1=O ZINC000036727822 182838512 /nfs/dbraw/zinc/83/85/12/182838512.db2.gz HAYBEVXVDNYGDI-UHFFFAOYSA-N 0 0 314.345 0.682 50 0 DCAARN O=C(NC[C@H](c1ccco1)N1CCOCC1)c1cnccn1 ZINC000038630205 183004725 /nfs/dbraw/zinc/00/47/25/183004725.db2.gz NMNWBHWFHNGSNE-CYBMUJFWSA-N 0 0 302.334 0.873 50 0 DCAARN Cc1ccc(-c2nnn(Cc3nn[nH]n3)n2)cc1-n1cccn1 ZINC000039389358 183018873 /nfs/dbraw/zinc/01/88/73/183018873.db2.gz HZGKKYDXOSQEPS-UHFFFAOYSA-N 0 0 308.309 0.396 50 0 DCAARN Cc1csc(NC(=O)CCCC(=O)N2CCNC(=O)C2)n1 ZINC000040286922 183051563 /nfs/dbraw/zinc/05/15/63/183051563.db2.gz NEXBLFAHDYLDSY-UHFFFAOYSA-N 0 0 310.379 0.519 50 0 DCAARN CC1(C)Cc2c(sc3c2c(N)nc(=O)n3CC(N)=O)CO1 ZINC000040287682 183052075 /nfs/dbraw/zinc/05/20/75/183052075.db2.gz SWBCRRJUFGYDFG-UHFFFAOYSA-N 0 0 308.363 0.377 50 0 DCAARN O=c1c2cnc3ccnn3c2ccn1CCCN1CCOCC1 ZINC000040387636 183059960 /nfs/dbraw/zinc/05/99/60/183059960.db2.gz OGEZTZDKACEHHN-UHFFFAOYSA-N 0 0 313.361 0.767 50 0 DCAARN CC(=O)N1CCN(C(=O)CCCNC(=O)c2ccsc2)CC1 ZINC000040462642 183070994 /nfs/dbraw/zinc/07/09/94/183070994.db2.gz QANYHDZGTWAODH-UHFFFAOYSA-N 0 0 323.418 0.949 50 0 DCAARN CN(CC(=O)N1CCCC1)C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000040485281 183077291 /nfs/dbraw/zinc/07/72/91/183077291.db2.gz WEDPUGFOWMSQIY-UHFFFAOYSA-N 0 0 314.345 0.618 50 0 DCAARN NC(=O)C1CCN(C(=O)NCc2nnc3ccccn32)CC1 ZINC000040487641 183078513 /nfs/dbraw/zinc/07/85/13/183078513.db2.gz IRLRJJRGDITYOJ-UHFFFAOYSA-N 0 0 302.338 0.136 50 0 DCAARN C[C@H]1CN(C(=O)COc2cccc(S(C)(=O)=O)c2)CCO1 ZINC000040538780 183096030 /nfs/dbraw/zinc/09/60/30/183096030.db2.gz KOLSFEJBNYXEOE-NSHDSACASA-N 0 0 313.375 0.716 50 0 DCAARN C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(=O)[nH]c2)C[C@H](C)O1 ZINC000040489225 183078848 /nfs/dbraw/zinc/07/88/48/183078848.db2.gz BGLPOGLYAJILTC-TXEJJXNPSA-N 0 0 307.394 0.993 50 0 DCAARN O=C(NCCCN1CCCC1=O)c1cnc2ccccn2c1=O ZINC000040488819 183078876 /nfs/dbraw/zinc/07/88/76/183078876.db2.gz NEKIKYMDGUTSIM-UHFFFAOYSA-N 0 0 314.345 0.437 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CCNC(=O)C2)c2cccnc12 ZINC000040490462 183079736 /nfs/dbraw/zinc/07/97/36/183079736.db2.gz JKNZVUHDJKFWDB-UHFFFAOYSA-N 0 0 305.359 0.664 50 0 DCAARN NC(=O)[C@@H]1CC(C(=O)N2CCOCC2)=NN1c1ccc(F)cc1 ZINC000040493757 183080338 /nfs/dbraw/zinc/08/03/38/183080338.db2.gz PIEDGVOEPOBSCZ-ZDUSSCGKSA-N 0 0 320.324 0.105 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(-n2ccnc2)nc1 ZINC000040493501 183080432 /nfs/dbraw/zinc/08/04/32/183080432.db2.gz DISRJJWKLBKDCH-NSHDSACASA-N 0 0 306.347 0.184 50 0 DCAARN CNC(=O)NC(=O)CCN1CCN(C(=O)CC2CCCC2)CC1 ZINC000040497194 183082217 /nfs/dbraw/zinc/08/22/17/183082217.db2.gz PGSBXQRCYUFIAA-UHFFFAOYSA-N 0 0 324.425 0.557 50 0 DCAARN CC1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)CC1 ZINC000040501755 183083506 /nfs/dbraw/zinc/08/35/06/183083506.db2.gz ZIJFHBKHLWEAAZ-ZDUSSCGKSA-N 0 0 315.439 0.706 50 0 DCAARN CC(C)CN1C[C@H](C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000040502013 183084084 /nfs/dbraw/zinc/08/40/84/183084084.db2.gz DZFMLMPJJRFKEJ-NEPJUHHUSA-N 0 0 316.423 0.136 50 0 DCAARN C[C@H](CNC(=O)c1cnc2sccn2c1=O)N1CCOCC1 ZINC000040512405 183087614 /nfs/dbraw/zinc/08/76/14/183087614.db2.gz GVRPWKVTAOETFL-SNVBAGLBSA-N 0 0 322.390 0.207 50 0 DCAARN Cn1cnnc1CNC(=O)COc1ccc2ccc(=O)oc2c1 ZINC000040512098 183087659 /nfs/dbraw/zinc/08/76/59/183087659.db2.gz UHQPWKBLHSBWPX-UHFFFAOYSA-N 0 0 314.301 0.617 50 0 DCAARN CN(C)C(=O)N1CCN(Cn2c3ccccc3oc2=O)CC1 ZINC000040520036 183089794 /nfs/dbraw/zinc/08/97/94/183089794.db2.gz NKAHLPFDHNMYCE-UHFFFAOYSA-N 0 0 304.350 0.851 50 0 DCAARN O=C(CCn1c(=O)oc2ccccc21)N[C@H]1CCCCNC1=O ZINC000040522017 183090645 /nfs/dbraw/zinc/09/06/45/183090645.db2.gz CSCMGUMDGXHWID-NSHDSACASA-N 0 0 317.345 0.770 50 0 DCAARN CCNC(=O)CN(CC)C(=O)[C@H]1CCCN(C(=O)N(C)C)C1 ZINC000040521045 183090876 /nfs/dbraw/zinc/09/08/76/183090876.db2.gz XIBXBJKGRZMMAU-LBPRGKRZSA-N 0 0 312.414 0.365 50 0 DCAARN O=S(=O)(NCc1nnc2n1CCC2)c1ccc2c(c1)CCO2 ZINC000040527133 183093127 /nfs/dbraw/zinc/09/31/27/183093127.db2.gz AGHRIQJNLLWBNH-UHFFFAOYSA-N 0 0 320.374 0.638 50 0 DCAARN O=C(Cc1cc2ccccc2[nH]c1=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000040535421 183094541 /nfs/dbraw/zinc/09/45/41/183094541.db2.gz NEHFYJNNJOECCK-GFCCVEGCSA-N 0 0 320.370 0.374 50 0 DCAARN O=C(CN1CCSCC1)NC[C@@H]1COc2ccccc2O1 ZINC000040540646 183097203 /nfs/dbraw/zinc/09/72/03/183097203.db2.gz VNLMZYFNOXXIIG-GFCCVEGCSA-N 0 0 308.403 0.991 50 0 DCAARN CCN1C[C@H](C(=O)NCCOc2ccc3c(c2)OCO3)CC1=O ZINC000040541401 183097751 /nfs/dbraw/zinc/09/77/51/183097751.db2.gz DWBUUCZSFIDZIG-LLVKDONJSA-N 0 0 320.345 0.779 50 0 DCAARN O=C(NCCCn1cncn1)C(=O)Nc1cc(F)cc(F)c1 ZINC000041416691 183189944 /nfs/dbraw/zinc/18/99/44/183189944.db2.gz KIIUXABYVZYHIY-UHFFFAOYSA-N 0 0 309.276 0.701 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@@H]1COc2ccccc2C1 ZINC000041997849 183227986 /nfs/dbraw/zinc/22/79/86/183227986.db2.gz OMXWUMYFZLSYIQ-PWSUYJOCSA-N 0 0 317.345 0.342 50 0 DCAARN CC(=O)c1cccc(S(=O)(=O)NCCCn2cncn2)c1 ZINC000041630129 183212469 /nfs/dbraw/zinc/21/24/69/183212469.db2.gz SNOGHDZUOYGDJW-UHFFFAOYSA-N 0 0 308.363 0.849 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CC[C@@H]1CCCO1 ZINC000042043187 183230940 /nfs/dbraw/zinc/23/09/40/183230940.db2.gz VKVKQKAVXLXCQK-OLZOCXBDSA-N 0 0 318.439 0.876 50 0 DCAARN O=C(NC[C@]1(N2CCOCC2)CCSC1)N1CCOCC1 ZINC000042309937 183253049 /nfs/dbraw/zinc/25/30/49/183253049.db2.gz VYPPSIZCWUCOMN-CQSZACIVSA-N 0 0 315.439 0.236 50 0 DCAARN CCCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 ZINC000042467727 183273640 /nfs/dbraw/zinc/27/36/40/183273640.db2.gz XHYQTEJKGRPLHG-NWDGAFQWSA-N 0 0 312.414 0.411 50 0 DCAARN Cc1cc(C)n(CCNC(=O)c2nc(-c3cnccn3)no2)n1 ZINC000042381570 183261871 /nfs/dbraw/zinc/26/18/71/183261871.db2.gz YOMYMMCQZDBPMX-UHFFFAOYSA-N 0 0 313.321 0.770 50 0 DCAARN CS(=O)(=O)NCCC(=O)NC[C@H]1COc2ccccc2C1 ZINC000042723567 183302138 /nfs/dbraw/zinc/30/21/38/183302138.db2.gz MZTWJJFSFCOVMI-NSHDSACASA-N 0 0 312.391 0.293 50 0 DCAARN NS(=O)(=O)c1ccc(CCNC(=O)Nc2cn[nH]c2)cc1 ZINC000042945974 183319786 /nfs/dbraw/zinc/31/97/86/183319786.db2.gz AJTTYZBPBVYHAN-UHFFFAOYSA-N 0 0 309.351 0.421 50 0 DCAARN NC(=O)CN1CCC(NC(=O)COc2cccc(F)c2)CC1 ZINC000043121602 183339201 /nfs/dbraw/zinc/33/92/01/183339201.db2.gz PQLQTUJRVYKMQS-UHFFFAOYSA-N 0 0 309.341 0.270 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCC(c2ccccc2)CC1 ZINC000043494130 183367512 /nfs/dbraw/zinc/36/75/12/183367512.db2.gz BORLIGCOYUVKQA-ZDUSSCGKSA-N 0 0 301.346 0.991 50 0 DCAARN COc1ccccc1CN(C)C(=O)CSc1n[nH]c(=O)n1C ZINC000043941004 183389872 /nfs/dbraw/zinc/38/98/72/183389872.db2.gz KYCHPOPNQBCQCF-UHFFFAOYSA-N 0 0 322.390 0.868 50 0 DCAARN Cc1ccc(C)c(S(=O)(=O)CCN2C(=O)CN(C)C2=O)c1 ZINC000044944212 183463684 /nfs/dbraw/zinc/46/36/84/183463684.db2.gz CMIKIGFZLIRTIK-UHFFFAOYSA-N 0 0 310.375 0.971 50 0 DCAARN COc1ccccc1OCCNC(=O)N1CCC(C(N)=O)CC1 ZINC000044890934 183448405 /nfs/dbraw/zinc/44/84/05/183448405.db2.gz XBFBXWXMWAJGAC-UHFFFAOYSA-N 0 0 321.377 0.981 50 0 DCAARN Cc1nccc(N2CCN(C(=O)CCn3ccnc3)CC2)n1 ZINC000273941801 211194884 /nfs/dbraw/zinc/19/48/84/211194884.db2.gz KHFIDLDOURMOKQ-UHFFFAOYSA-N 0 0 300.366 0.720 50 0 DCAARN Cc1nn(C)c2ncc(NC(=O)CN(C)S(C)(=O)=O)cc12 ZINC000046190230 183557257 /nfs/dbraw/zinc/55/72/57/183557257.db2.gz TZFPKRHZNVKEHL-UHFFFAOYSA-N 0 0 311.367 0.107 50 0 DCAARN NC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCc3ccccc3C2)C1 ZINC000105873009 194153749 /nfs/dbraw/zinc/15/37/49/194153749.db2.gz HYBDVBMYMBKPQA-CQSZACIVSA-N 0 0 323.418 0.487 50 0 DCAARN O=C(NC[C@H]1CCOC1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000106568081 194232425 /nfs/dbraw/zinc/23/24/25/194232425.db2.gz QJKQLOCKBRRYSA-OLZOCXBDSA-N 0 0 305.382 0.781 50 0 DCAARN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Cn2cnnn2)c1 ZINC000048366093 183652014 /nfs/dbraw/zinc/65/20/14/183652014.db2.gz XHKSDJQJCJIRPP-LLVKDONJSA-N 0 0 316.365 0.518 50 0 DCAARN COCCN1CCN([C@H](C)C(=O)NC[C@@H]2CCCO2)C[C@@H]1C ZINC000106786615 194252372 /nfs/dbraw/zinc/25/23/72/194252372.db2.gz JCXSCIOWWWUCEA-ZNMIVQPWSA-N 0 0 313.442 0.323 50 0 DCAARN CC(C)CN1CCO[C@@H](CNS(=O)(=O)C[C@H]2CCOC2)C1 ZINC000106790860 194253755 /nfs/dbraw/zinc/25/37/55/194253755.db2.gz OCRJMGAGSXRBDS-KBPBESRZSA-N 0 0 320.455 0.299 50 0 DCAARN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCS(C)(=O)=O ZINC000053298012 183897922 /nfs/dbraw/zinc/89/79/22/183897922.db2.gz AUALJSSTYPFUQJ-AWEZNQCLSA-N 0 0 324.402 0.121 50 0 DCAARN Cc1cccc2c1ncn(CC(=O)N1CC[C@@H](C(N)=O)C1)c2=O ZINC000053893118 183915092 /nfs/dbraw/zinc/91/50/92/183915092.db2.gz DNGKOKFDAZJLDT-LLVKDONJSA-N 0 0 314.345 0.039 50 0 DCAARN Cc1ccc(-n2nnnc2N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000054044917 183921507 /nfs/dbraw/zinc/92/15/07/183921507.db2.gz YAVWZEUUFLNZRH-UHFFFAOYSA-N 0 0 322.394 0.052 50 0 DCAARN O=C(NCc1nnc2ccccn21)c1ccnc(-n2cncn2)c1 ZINC000054705693 183949027 /nfs/dbraw/zinc/94/90/27/183949027.db2.gz KZVNTKOAXVKPKZ-UHFFFAOYSA-N 0 0 320.316 0.635 50 0 DCAARN O=C(Cn1cncn1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000057145733 184028106 /nfs/dbraw/zinc/02/81/06/184028106.db2.gz HUZULZJFISQRNI-UHFFFAOYSA-N 0 0 301.354 0.222 50 0 DCAARN CC(=O)NCC(=O)NCC(=O)N[C@@H](C)COc1ccccc1C ZINC000056997757 184023910 /nfs/dbraw/zinc/02/39/10/184023910.db2.gz ANCSOGZIBRDGSR-LBPRGKRZSA-N 0 0 321.377 0.131 50 0 DCAARN NC(=O)C1(CNC(=O)Cc2noc3ccccc23)CCOCC1 ZINC000057007730 184024275 /nfs/dbraw/zinc/02/42/75/184024275.db2.gz RXKXQWUBIYPVPL-UHFFFAOYSA-N 0 0 317.345 0.769 50 0 DCAARN Cc1cc(NC(=O)Cn2c3ccsc3c(=O)n(C)c2=O)no1 ZINC000057426453 184038149 /nfs/dbraw/zinc/03/81/49/184038149.db2.gz XDBMZHWWHQAKCQ-UHFFFAOYSA-N 0 0 320.330 0.697 50 0 DCAARN CCCCN(C)C(=O)Cn1c2ccccc2c(=O)n(C)c1=O ZINC000057525556 184041478 /nfs/dbraw/zinc/04/14/78/184041478.db2.gz XDSXSARVABJSBH-UHFFFAOYSA-N 0 0 303.362 0.959 50 0 DCAARN CCNC(=O)c1cccc(NC(=O)Cn2nnnc2CC)c1 ZINC000058004101 184065967 /nfs/dbraw/zinc/06/59/67/184065967.db2.gz WKIDMDIGBWBDAT-UHFFFAOYSA-N 0 0 302.338 0.624 50 0 DCAARN Cn1nnnc1-c1cccc(NC(=O)N2CCC[C@@H]2CO)c1 ZINC000058212295 184088607 /nfs/dbraw/zinc/08/86/07/184088607.db2.gz SWOCSZJFHSAXMF-GFCCVEGCSA-N 0 0 302.338 0.866 50 0 DCAARN CC[C@H](C)NC(=O)CCNC(=O)c1ccc(-n2cnnn2)cc1 ZINC000058210248 184088710 /nfs/dbraw/zinc/08/87/10/184088710.db2.gz XMFUMHIMFXDQCB-NSHDSACASA-N 0 0 316.365 0.697 50 0 DCAARN CCOC(=O)[C@H]1CCCCN1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000058215964 184089177 /nfs/dbraw/zinc/08/91/77/184089177.db2.gz IEFDYUBWFWZEQZ-NWDGAFQWSA-N 0 0 320.411 0.417 50 0 DCAARN Cc1ccn2cc(C(=O)N[C@@H](C)C(=O)N3CCOCC3)nc2c1 ZINC000058225222 184090224 /nfs/dbraw/zinc/09/02/24/184090224.db2.gz DGHKDBYEKMJOJF-LBPRGKRZSA-N 0 0 316.361 0.620 50 0 DCAARN C[C@H](NC(=O)NCCNC(=O)C1CC1)C(=O)NCc1ccco1 ZINC000058364033 184109543 /nfs/dbraw/zinc/10/95/43/184109543.db2.gz SEJFCGAJJTYFBT-JTQLQIEISA-N 0 0 322.365 0.110 50 0 DCAARN C[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)C(=O)N1CCOCC1 ZINC000058379885 184110669 /nfs/dbraw/zinc/11/06/69/184110669.db2.gz GDWFYOBYMCJJBN-BXUZGUMPSA-N 0 0 304.346 0.354 50 0 DCAARN COCCNC(=O)CN(C)S(=O)(=O)c1cccc(F)c1F ZINC000058283476 184100410 /nfs/dbraw/zinc/10/04/10/184100410.db2.gz SFHQNULCFKMFLL-UHFFFAOYSA-N 0 0 322.333 0.348 50 0 DCAARN COCCCNC(=O)CN(C)C(=O)COc1ccccc1C ZINC000058304859 184103025 /nfs/dbraw/zinc/10/30/25/184103025.db2.gz ZNAFQOZZIWNMCM-UHFFFAOYSA-N 0 0 308.378 0.985 50 0 DCAARN COC[C@H](C)N(C)S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000058326122 184105265 /nfs/dbraw/zinc/10/52/65/184105265.db2.gz JLVZVIHRNWXQBT-JTQLQIEISA-N 0 0 311.367 0.318 50 0 DCAARN CCc1nnsc1C(=O)NCCC(=O)NCc1ccncc1 ZINC000058407714 184114461 /nfs/dbraw/zinc/11/44/61/184114461.db2.gz RUJHBHDMJWFQMJ-UHFFFAOYSA-N 0 0 319.390 0.932 50 0 DCAARN COc1ccc2cc(C(=O)N3CCO[C@H](C(N)=O)C3)[nH]c2c1 ZINC000058434304 184118339 /nfs/dbraw/zinc/11/83/39/184118339.db2.gz IDSWBNAYRCQRIV-ZDUSSCGKSA-N 0 0 303.318 0.503 50 0 DCAARN CS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000061497751 184171993 /nfs/dbraw/zinc/17/19/93/184171993.db2.gz WEINSYCRWQGLCB-ZDUSSCGKSA-N 0 0 324.402 0.569 50 0 DCAARN NC(=O)[C@H]1CCCN1CCCN1C(=O)c2ccccc2C1=O ZINC000061997463 184200331 /nfs/dbraw/zinc/20/03/31/184200331.db2.gz QHFSFQNTWYSUCS-CYBMUJFWSA-N 0 0 301.346 0.622 50 0 DCAARN Cc1nc2cc3c(cc2n1CC(=O)N1CCOCC1)OCCO3 ZINC000064794981 184303454 /nfs/dbraw/zinc/30/34/54/184303454.db2.gz PPCHIMFUXDYREQ-UHFFFAOYSA-N 0 0 317.345 0.975 50 0 DCAARN CCOC(=O)CN(Cc1ccc(C)cc1)C(=O)Cn1cnnn1 ZINC000065068950 184309717 /nfs/dbraw/zinc/30/97/17/184309717.db2.gz MELHVENMZCNQPX-UHFFFAOYSA-N 0 0 317.349 0.573 50 0 DCAARN CC(C)C[C@@H](NCC(=O)Nc1cnccn1)c1ncnn1C ZINC000065493211 184354196 /nfs/dbraw/zinc/35/41/96/184354196.db2.gz NUQNULVVMLVFTL-LLVKDONJSA-N 0 0 303.370 0.921 50 0 DCAARN Cc1ccc([C@H](CNC(=O)[C@@H]2CCC(=O)N2)N2CCOCC2)o1 ZINC000065436891 184344675 /nfs/dbraw/zinc/34/46/75/184344675.db2.gz ZFZXTTDMBUHCKG-STQMWFEESA-N 0 0 321.377 0.356 50 0 DCAARN C[C@@H](Cn1ccnc1)NC(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000065449749 184346382 /nfs/dbraw/zinc/34/63/82/184346382.db2.gz BKPOEHPOAYNSKS-STQMWFEESA-N 0 0 317.397 0.989 50 0 DCAARN O=C(COc1ccc2c(c1)OCO2)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000065452462 184346750 /nfs/dbraw/zinc/34/67/50/184346750.db2.gz BUINZMNEHQANGR-MNOVXSKESA-N 0 0 318.329 0.674 50 0 DCAARN Cc1ccsc1CCN1CC(=O)N2CC[C@@H](O)C[C@H]2C1=O ZINC000065462047 184348981 /nfs/dbraw/zinc/34/89/81/184348981.db2.gz UXYDIRZNMYVIDB-NEPJUHHUSA-N 0 0 308.403 0.793 50 0 DCAARN Cc1nc2n(c1C)CCN(Cc1nc3c(cnn3C)c(=O)[nH]1)C2 ZINC000065473439 184350595 /nfs/dbraw/zinc/35/05/95/184350595.db2.gz ULYRNFYWKQQAOT-UHFFFAOYSA-N 0 0 313.365 0.486 50 0 DCAARN Cc1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)C4CC4)C[C@]3(C(=O)[O-])C2)[nH]1 ZINC000065491646 184353755 /nfs/dbraw/zinc/35/37/55/184353755.db2.gz SSLNLKKCALIFEW-MLGOLLRUSA-N 0 0 318.377 0.473 50 0 DCAARN CC(=O)Nc1ccc(CNC(=O)CNCc2nnc(C)o2)cc1 ZINC000065491726 184353829 /nfs/dbraw/zinc/35/38/29/184353829.db2.gz PGJABHRZAPODCY-UHFFFAOYSA-N 0 0 317.349 0.742 50 0 DCAARN CCn1nc(C(C)C)cc1C(=O)N1C[C@H](O)C[C@H]1C(=O)OC ZINC000065396901 184336028 /nfs/dbraw/zinc/33/60/28/184336028.db2.gz ZCQIPHGQSVOLMK-MFKMUULPSA-N 0 0 309.366 0.775 50 0 DCAARN NS(=O)(=O)c1ccc(CCn2cc3[nH]cccc-3c2=O)cc1 ZINC000065398469 184336510 /nfs/dbraw/zinc/33/65/10/184336510.db2.gz KFCJSDTWDCTBQY-UHFFFAOYSA-N 0 0 317.370 0.928 50 0 DCAARN CS(=O)(=O)NCCNC(=O)c1cnc(-c2ccccc2)nc1 ZINC000065402531 184337313 /nfs/dbraw/zinc/33/73/13/184337313.db2.gz GSVOMFUSVJGGSY-UHFFFAOYSA-N 0 0 320.374 0.423 50 0 DCAARN O=C(c1ccc2occc2c1)N1CCN2C(=O)CNC(=O)[C@H]2C1 ZINC000065405119 184337682 /nfs/dbraw/zinc/33/76/82/184337682.db2.gz LPIPFUYLDGJWDN-GFCCVEGCSA-N 0 0 313.313 0.216 50 0 DCAARN COc1ccc([C@H](C)NC(=O)CC[C@H]2NC(=O)NC2=O)cc1F ZINC000065611028 184373060 /nfs/dbraw/zinc/37/30/60/184373060.db2.gz XHTFJVBPYVUPCW-GZMMTYOYSA-N 0 0 323.324 1.000 50 0 DCAARN Cc1nn2cccnc2c1C(=O)N[C@H]1CCc2nnc(C)n2C1 ZINC000065563896 184366635 /nfs/dbraw/zinc/36/66/35/184366635.db2.gz CFFKONQEFSVEER-NSHDSACASA-N 0 0 311.349 0.682 50 0 DCAARN CC(=O)NCC1CCN(c2ncnc3c2CN(C)CC3)CC1 ZINC000065565464 184367303 /nfs/dbraw/zinc/36/73/03/184367303.db2.gz AHXLVPMRWHITAA-UHFFFAOYSA-N 0 0 303.410 0.817 50 0 DCAARN CN(C)c1ncccc1CNC(=O)N1CCC(CC(N)=O)CC1 ZINC000065589268 184369562 /nfs/dbraw/zinc/36/95/62/184369562.db2.gz YGHAYUYLQNAYGE-UHFFFAOYSA-N 0 0 319.409 0.945 50 0 DCAARN CC(C)(C)C(=O)N1CCN(C(=O)CCN2CCOC2=O)CC1 ZINC000065636427 184376140 /nfs/dbraw/zinc/37/61/40/184376140.db2.gz RNTJYOROXAQAGK-UHFFFAOYSA-N 0 0 311.382 0.546 50 0 DCAARN NC(=O)NCC(=O)N1CCC[C@H](C(=O)Cc2ccccc2)C1 ZINC000067820167 184487160 /nfs/dbraw/zinc/48/71/60/184487160.db2.gz WHDFBYXOJWJTPW-ZDUSSCGKSA-N 0 0 303.362 0.705 50 0 DCAARN Cc1cc(C)n(C[C@H]2CN(Cc3nnnn3C3CC3)CCO2)n1 ZINC000069351306 184508862 /nfs/dbraw/zinc/50/88/62/184508862.db2.gz CHCNOWYBTYCIIQ-CQSZACIVSA-N 0 0 317.397 0.722 50 0 DCAARN COC(=O)[C@H]1CCCCN1Cc1cc(=O)n2nc(C)sc2n1 ZINC000052307184 291831828 /nfs/dbraw/zinc/83/18/28/291831828.db2.gz BGSZIIDPHUVTJZ-LLVKDONJSA-N 0 0 322.390 0.987 50 0 DCAARN COCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(C)cc1 ZINC000096181495 285072539 /nfs/dbraw/zinc/07/25/39/285072539.db2.gz HGYPQANGMMRGMJ-CABCVRRESA-N 0 0 306.362 0.656 50 0 DCAARN C[C@H]1C[C@H](O)CN1CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000340903759 253320411 /nfs/dbraw/zinc/32/04/11/253320411.db2.gz IWIQRHMEDFHBAY-FZMZJTMJSA-N 0 0 305.378 0.782 50 0 DCAARN Cc1ccc2[nH]c(CNC(=O)N[C@@H]3CCS(=O)(=O)C3)nc2c1 ZINC000340879191 253317221 /nfs/dbraw/zinc/31/72/21/253317221.db2.gz QOUPERMLXUJWPU-SNVBAGLBSA-N 0 0 322.390 0.858 50 0 DCAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nc[nH]n1 ZINC000218604554 257274219 /nfs/dbraw/zinc/27/42/19/257274219.db2.gz OFHMUZMULMXYLH-VIFPVBQESA-N 0 0 324.366 0.230 50 0 DCAARN O=C(NCc1ccoc1)N1CCCO[C@@H](CN2CCOCC2)C1 ZINC000426618335 257245047 /nfs/dbraw/zinc/24/50/47/257245047.db2.gz MVCLRFFQVFBRGR-HNNXBMFYSA-N 0 0 323.393 0.912 50 0 DCAARN Cc1nccc(C2CCN(C(=O)CN3CCOC3=O)CC2)n1 ZINC000426628786 257245453 /nfs/dbraw/zinc/24/54/53/257245453.db2.gz PSGVJOBNDWEKJJ-UHFFFAOYSA-N 0 0 304.350 0.943 50 0 DCAARN CS(=O)(=O)CCN1CCC[C@@H](c2ccnn2CC(=O)[O-])C1 ZINC000426578545 257245730 /nfs/dbraw/zinc/24/57/30/257245730.db2.gz FWMDWFNZBLPVLJ-LLVKDONJSA-N 0 0 315.395 0.192 50 0 DCAARN CN(Cc1cscn1)C(=O)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000426541357 257246754 /nfs/dbraw/zinc/24/67/54/257246754.db2.gz MIKZGURPLHVLGE-LBPRGKRZSA-N 0 0 312.439 0.989 50 0 DCAARN CS(=O)(=O)CCNC(=O)c1cnc(-c2ccccn2)nc1 ZINC000426526268 257247670 /nfs/dbraw/zinc/24/76/70/257247670.db2.gz NBJAPASEPANRAH-UHFFFAOYSA-N 0 0 306.347 0.313 50 0 DCAARN Cn1c2ccc(CNC(=O)C[C@H]3CCOC3)cc2n(C)c1=O ZINC000426409572 257251175 /nfs/dbraw/zinc/25/11/75/257251175.db2.gz XCGJQNQVCQQVRK-GFCCVEGCSA-N 0 0 303.362 0.920 50 0 DCAARN O=C(NCCCN1CCOCC1)N1CCC[C@H](c2ncon2)C1 ZINC000426409276 257251913 /nfs/dbraw/zinc/25/19/13/257251913.db2.gz HJGHZUMTBOLOBA-ZDUSSCGKSA-N 0 0 323.397 0.681 50 0 DCAARN COc1cc2nc(N(CCO)CCO)nc(N)c2cc1OC ZINC000000389139 257266555 /nfs/dbraw/zinc/26/65/55/257266555.db2.gz KAANIDZRLHMQHS-UHFFFAOYSA-N 0 0 308.338 0.020 50 0 DCAARN CC1(C)COCCN1C(=O)Cn1nnn(-c2cccs2)c1=O ZINC000071830850 184859972 /nfs/dbraw/zinc/85/99/72/184859972.db2.gz SLYYNSHQSPVYFJ-UHFFFAOYSA-N 0 0 323.378 0.128 50 0 DCAARN O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(=O)[nH]c1 ZINC000071839232 184863505 /nfs/dbraw/zinc/86/35/05/184863505.db2.gz MFDFADFIFVOZHD-CQSZACIVSA-N 0 0 311.341 0.906 50 0 DCAARN CC1(C)NC(=O)N(CC(=O)N2CCC[C@H]2Cn2cccn2)C1=O ZINC000071866193 184875954 /nfs/dbraw/zinc/87/59/54/184875954.db2.gz XNMDYZVWIBFIJD-NSHDSACASA-N 0 0 319.365 0.205 50 0 DCAARN O=C([C@H]1COCCO1)N(CCN1CCOCC1)c1ccccc1 ZINC000072069148 184928966 /nfs/dbraw/zinc/92/89/66/184928966.db2.gz VAROMFQOBIWHMN-MRXNPFEDSA-N 0 0 320.389 0.767 50 0 DCAARN COC(=O)[C@](C)(COc1ccccc1)NS(=O)(=O)N(C)C ZINC000069442726 291964248 /nfs/dbraw/zinc/96/42/48/291964248.db2.gz JXKYEDCBLMSUEH-ZDUSSCGKSA-N 0 0 316.379 0.393 50 0 DCAARN COc1cc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)on1 ZINC000122135501 132161382 /nfs/dbraw/zinc/16/13/82/132161382.db2.gz KVYWPMUTNKMOGZ-UHFFFAOYSA-N 0 0 316.317 0.676 50 0 DCAARN O=C(CN1CCCc2cc(F)cc(F)c21)N1CCNC(=O)C1 ZINC000048368754 134753046 /nfs/dbraw/zinc/75/30/46/134753046.db2.gz KQQPNEVSGZNGQS-UHFFFAOYSA-N 0 0 309.316 0.676 50 0 DCAARN O=C(NCCO)C1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000058264902 134793619 /nfs/dbraw/zinc/79/36/19/134793619.db2.gz UQPZUFPCVGDVAI-UHFFFAOYSA-N 0 0 318.299 0.820 50 0 DCAARN COCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000008381047 395684524 /nfs/dbraw/zinc/68/45/24/395684524.db2.gz DXXYRILWPGNETJ-UHFFFAOYSA-N 0 0 316.354 0.305 50 0 DCAARN Cn1c(N)c(-c2csc(-c3ccccn3)n2)c(=O)n(C)c1=O ZINC000008984755 395685035 /nfs/dbraw/zinc/68/50/35/395685035.db2.gz LFUDKTZMAUZHAB-UHFFFAOYSA-N 0 0 315.358 0.852 50 0 DCAARN COc1ccc(S(N)(=O)=O)cc1C(=O)NC1=NCCS1 ZINC000009376818 395685257 /nfs/dbraw/zinc/68/52/57/395685257.db2.gz ZVWSPWJTMCWZAV-UHFFFAOYSA-N 0 0 315.376 0.175 50 0 DCAARN CCNC(=O)N1CCNC(=O)[C@H]1CC(=O)Nc1ccccc1C ZINC000009484019 395685394 /nfs/dbraw/zinc/68/53/94/395685394.db2.gz MIAOBDSZOQGHNY-CYBMUJFWSA-N 0 0 318.377 0.854 50 0 DCAARN C[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CCO1 ZINC000011497668 395686732 /nfs/dbraw/zinc/68/67/32/395686732.db2.gz BRDGHHVSETXHOZ-LLVKDONJSA-N 0 0 324.402 0.870 50 0 DCAARN COc1cccc(NC(=O)Cn2cc(OC)c(=O)cc2CO)c1 ZINC000012452146 395687717 /nfs/dbraw/zinc/68/77/17/395687717.db2.gz ZZZYFPSYLCJRGQ-UHFFFAOYSA-N 0 0 318.329 0.997 50 0 DCAARN C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCNC(=O)C1 ZINC000012549276 395687819 /nfs/dbraw/zinc/68/78/19/395687819.db2.gz XMOVRIBKPIYDMZ-AWEZNQCLSA-N 0 0 316.405 0.156 50 0 DCAARN COc1cccc(CNC(=O)COC(=O)c2nccnc2N)c1 ZINC000012791708 395687980 /nfs/dbraw/zinc/68/79/80/395687980.db2.gz JIVYCAYUNITYHT-UHFFFAOYSA-N 0 0 316.317 0.541 50 0 DCAARN O=C1Cc2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2N1 ZINC000012742128 395688066 /nfs/dbraw/zinc/68/80/66/395688066.db2.gz IBSAHVKCGLPSNH-UHFFFAOYSA-N 0 0 316.766 0.856 50 0 DCAARN CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@H](C)[NH3+])CC1)C(=O)[O-] ZINC000012880167 395688089 /nfs/dbraw/zinc/68/80/89/395688089.db2.gz PNYHQGAKHDCYEJ-NHCYSSNCSA-N 0 0 313.398 0.188 50 0 biogenic DCAARN Cc1ccccc1OCCN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000012943496 395688310 /nfs/dbraw/zinc/68/83/10/395688310.db2.gz IEDCQIWJGIAABV-UHFFFAOYSA-N 0 0 317.345 0.382 50 0 DCAARN O=C(Cn1c(=O)cnc2ccccc21)NC1CCC(O)CC1 ZINC000012975415 395688313 /nfs/dbraw/zinc/68/83/13/395688313.db2.gz ZPWCQNCVUQPPLE-UHFFFAOYSA-N 0 0 301.346 0.816 50 0 DCAARN O=C(Cc1csc(NC(=O)[C@@H]2CCC(=O)N2)n1)NC1CC1 ZINC000013574947 395688651 /nfs/dbraw/zinc/68/86/51/395688651.db2.gz SRGVVZKFVBXCAV-VIFPVBQESA-N 0 0 308.363 0.181 50 0 DCAARN CNC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O ZINC000013582495 395688692 /nfs/dbraw/zinc/68/86/92/395688692.db2.gz FHXJMXIDLXFZRL-UHFFFAOYSA-N 0 0 302.352 0.459 50 0 DCAARN CCCn1c(N)c(C(=O)CN2CCC[C@H](C)C2)c(=O)[nH]c1=O ZINC000014095149 395689151 /nfs/dbraw/zinc/68/91/51/395689151.db2.gz NJABIBPSKYSSED-JTQLQIEISA-N 0 0 308.382 0.443 50 0 DCAARN CC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000014138132 395689265 /nfs/dbraw/zinc/68/92/65/395689265.db2.gz XAQXVHVJZRRZCO-UHFFFAOYSA-N 0 0 314.271 0.812 50 0 DCAARN CCN1C(=O)C(=O)N(CC(=O)N2CCc3sccc3C2)C1=O ZINC000014139362 395689268 /nfs/dbraw/zinc/68/92/68/395689268.db2.gz AWAUQJOYZUTWIM-UHFFFAOYSA-N 0 0 321.358 0.444 50 0 DCAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(=O)[nH]n1 ZINC000014234063 395689382 /nfs/dbraw/zinc/68/93/82/395689382.db2.gz DEPBCEHRLHWSCO-UHFFFAOYSA-N 0 0 311.301 0.279 50 0 DCAARN O=C(NCCN1CCOCC1)C1CCN(c2ncccn2)CC1 ZINC000020625183 395691246 /nfs/dbraw/zinc/69/12/46/395691246.db2.gz SSUHDQYMSOZXRZ-UHFFFAOYSA-N 0 0 319.409 0.141 50 0 DCAARN COc1ccc(N2C(=O)C[C@H](N3CCN(C=O)CC3)C2=O)cc1 ZINC000000208270 395680016 /nfs/dbraw/zinc/68/00/16/395680016.db2.gz KWHRLUYHCHGSLR-AWEZNQCLSA-N 0 0 317.345 0.101 50 0 DCAARN COc1ccccc1NC(=O)NC(=O)N(C)S(C)(=O)=O ZINC000000249176 395680054 /nfs/dbraw/zinc/68/00/54/395680054.db2.gz DQDQVIJISQNNCT-UHFFFAOYSA-N 0 0 301.324 0.828 50 0 DCAARN CCS(=O)(=O)NCc1ccc(CNS(=O)(=O)CC)cc1 ZINC000000473750 395680425 /nfs/dbraw/zinc/68/04/25/395680425.db2.gz OWVSIGYEXSUXLO-UHFFFAOYSA-N 0 0 320.436 0.565 50 0 DCAARN COC(=O)Cc1c(C)c2c(OCC(N)=O)cc(C)cc2oc1=O ZINC000001050190 395680635 /nfs/dbraw/zinc/68/06/35/395680635.db2.gz NMVOAKMHCAAKQI-UHFFFAOYSA-N 0 0 319.313 0.989 50 0 DCAARN O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000001052208 395680648 /nfs/dbraw/zinc/68/06/48/395680648.db2.gz JATHLQCUGBVCLG-CQSZACIVSA-N 0 0 324.402 0.699 50 0 DCAARN O=C1NCCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000001034443 395680654 /nfs/dbraw/zinc/68/06/54/395680654.db2.gz VAZGFYORUIPHTC-NSHDSACASA-N 0 0 304.318 0.912 50 0 DCAARN C[C@@H]1O[C@H](Nc2ccc(OC(F)(F)F)cc2)[C@H](O)[C@H](O)[C@@H]1O ZINC000001089588 395680700 /nfs/dbraw/zinc/68/07/00/395680700.db2.gz HWRAWYGCOWASEC-XQFKGYICSA-N 0 0 323.267 0.825 50 0 DCAARN Cn1c(=O)c(-c2ccn[nH]2)nn(-c2ccc(F)cc2F)c1=O ZINC000001383300 395680746 /nfs/dbraw/zinc/68/07/46/395680746.db2.gz LSTUIWUQHUMFKX-UHFFFAOYSA-N 0 0 305.244 0.600 50 0 DCAARN COc1cccc(-c2noc(C(=O)NN3CCOCC3)n2)c1 ZINC000001428162 395680821 /nfs/dbraw/zinc/68/08/21/395680821.db2.gz PAIAJVHYSFIYGU-UHFFFAOYSA-N 0 0 304.306 0.722 50 0 DCAARN CC(=O)Nc1nc2ncn(COCCOC(C)=O)c2c(=O)[nH]1 ZINC000001800214 395681152 /nfs/dbraw/zinc/68/11/52/395681152.db2.gz SJBOYFXLWONEHK-UHFFFAOYSA-N 0 0 309.282 0.028 50 0 biogenic DCAARN CCOC(=O)[C@]12C[C@H](OCC)[C@@]1(c1ccccc1)NC(=O)C2=O ZINC000002180748 395681403 /nfs/dbraw/zinc/68/14/03/395681403.db2.gz SVUWVWZYTZXNMP-JCURWCKSSA-N 0 0 317.341 0.939 50 0 DCAARN CC(C)CCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000002457899 395681607 /nfs/dbraw/zinc/68/16/07/395681607.db2.gz HPGCJDHBVSXILB-UHFFFAOYSA-N 0 0 310.375 0.993 50 0 DCAARN O=CN1CCN(C(=S)NC(=O)c2c(F)cccc2F)CC1 ZINC000002582308 395681660 /nfs/dbraw/zinc/68/16/60/395681660.db2.gz ZYFGBKBFXHUEOI-UHFFFAOYSA-N 0 0 313.329 0.754 50 0 DCAARN O=C(COC(=O)C1CC1)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000002649639 395681736 /nfs/dbraw/zinc/68/17/36/395681736.db2.gz YPMDTAKPKXGQFL-LBPRGKRZSA-N 0 0 305.286 0.422 50 0 DCAARN Cc1c(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cnn1C ZINC000002804787 395681967 /nfs/dbraw/zinc/68/19/67/395681967.db2.gz SWEHLYOMNQIVDX-UHFFFAOYSA-N 0 0 314.411 0.016 50 0 DCAARN CN(C(=O)COc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000003263850 395682425 /nfs/dbraw/zinc/68/24/25/395682425.db2.gz XRESKEMZUJLBAW-NSHDSACASA-N 0 0 301.339 0.850 50 0 DCAARN Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000004324756 395682506 /nfs/dbraw/zinc/68/25/06/395682506.db2.gz QEBZVQHAYUJWOE-LLVKDONJSA-N 0 0 320.374 0.493 50 0 DCAARN CCS(=O)(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000006742991 395683078 /nfs/dbraw/zinc/68/30/78/395683078.db2.gz QHKLKSRVABDKQZ-UHFFFAOYSA-N 0 0 304.397 0.538 50 0 DCAARN COc1nn(C)cc1C(=O)NC[C@H](O)c1ccc2c(c1)CCO2 ZINC000085558954 395701476 /nfs/dbraw/zinc/70/14/76/395701476.db2.gz ROORFXMMGKGWQR-ZDUSSCGKSA-N 0 0 317.345 0.827 50 0 DCAARN CCCS(=O)(=O)N1CCN(C[C@@H](O)c2ccco2)CC1 ZINC000030534442 395702935 /nfs/dbraw/zinc/70/29/35/395702935.db2.gz NEVLXFYDJHHONY-GFCCVEGCSA-N 0 0 302.396 0.670 50 0 DCAARN CN(C(=O)CN1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000030594468 395703652 /nfs/dbraw/zinc/70/36/52/395703652.db2.gz PFCIVAJBVGQJGH-GFCCVEGCSA-N 0 0 324.402 0.531 50 0 DCAARN COCCNC(=O)Cn1nc(C)c2cnn(C(C)(C)C)c2c1=O ZINC000036665687 395723849 /nfs/dbraw/zinc/72/38/49/395723849.db2.gz KDNCETHJSLCCGZ-UHFFFAOYSA-N 0 0 321.381 0.419 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)c1cnn(-c2ccccc2)c1 ZINC000031218434 395705798 /nfs/dbraw/zinc/70/57/98/395705798.db2.gz XZLMPCZUZBKCFN-UHFFFAOYSA-N 0 0 322.390 0.541 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)Cn2cccn2)cc1 ZINC000031230229 395705930 /nfs/dbraw/zinc/70/59/30/395705930.db2.gz LPWJDZZQLXTKOC-LLVKDONJSA-N 0 0 322.390 0.610 50 0 DCAARN CCNC(=O)c1cccc(NC(=O)CN(CC(N)=O)C(C)C)c1 ZINC000031345871 395706368 /nfs/dbraw/zinc/70/63/68/395706368.db2.gz XMARLOCFCYUJMM-UHFFFAOYSA-N 0 0 320.393 0.571 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)NC(=O)N[C@@H]2c1ccc(O)cc1 ZINC000032100343 395709324 /nfs/dbraw/zinc/70/93/24/395709324.db2.gz GTVDWKBERYKDKR-SNVBAGLBSA-N 0 0 302.290 0.014 50 0 DCAARN COc1ccc([C@H](O)CNC(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000089438841 395711684 /nfs/dbraw/zinc/71/16/84/395711684.db2.gz NXEVUEKGWBXOQV-UONOGXRCSA-N 0 0 321.377 0.697 50 0 DCAARN Cc1ccc(-c2nnc(CCC(=O)N3CCNC(=O)C3)o2)cc1 ZINC000032780984 395713236 /nfs/dbraw/zinc/71/32/36/395713236.db2.gz DVCATZGHNRIHLY-UHFFFAOYSA-N 0 0 314.345 0.936 50 0 DCAARN CCCNC(=O)CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1 ZINC000032777763 395713338 /nfs/dbraw/zinc/71/33/38/395713338.db2.gz CYAWEPIHKGMBNU-MRVPVSSYSA-N 0 0 319.408 0.590 50 0 DCAARN O=C(Cn1nnc2ccccc21)Nc1ccc2c(c1)C(=O)NC2=O ZINC000032909860 395714246 /nfs/dbraw/zinc/71/42/46/395714246.db2.gz PNCDVHQHLPDFNS-UHFFFAOYSA-N 0 0 321.296 0.954 50 0 DCAARN COc1cc(/C=C/C(=O)N(C)CC(N)=O)cc2c1OCCO2 ZINC000032931230 395714571 /nfs/dbraw/zinc/71/45/71/395714571.db2.gz BVCWBICSNFLQAO-ONEGZZNKSA-N 0 0 306.318 0.423 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)CCNc2ncccn2)C[C@@H](C)O1 ZINC000032923648 395714853 /nfs/dbraw/zinc/71/48/53/395714853.db2.gz KOGWHWGMELUPBH-GHMZBOCLSA-N 0 0 300.384 0.328 50 0 DCAARN COCCNC(=O)c1nc[nH]c1C(=O)NCc1ccccc1 ZINC000033003633 395715601 /nfs/dbraw/zinc/71/56/01/395715601.db2.gz JNWAEAIKBCLLNS-UHFFFAOYSA-N 0 0 302.334 0.716 50 0 DCAARN O=C([C@@H]1CNC(=O)N1)N1CCC(COc2ccccc2)CC1 ZINC000089845771 395715801 /nfs/dbraw/zinc/71/58/01/395715801.db2.gz IHKAAPCNEKHBPL-AWEZNQCLSA-N 0 0 303.362 0.985 50 0 DCAARN O=S1(=O)CCC[C@H]1CNCc1cnn(-c2ccccc2)n1 ZINC000089857650 395715877 /nfs/dbraw/zinc/71/58/77/395715877.db2.gz PIEYTDOJRLGQPA-AWEZNQCLSA-N 0 0 306.391 0.934 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000089904350 395716467 /nfs/dbraw/zinc/71/64/67/395716467.db2.gz UTWSKGHKTOJRFQ-CHWSQXEVSA-N 0 0 317.397 0.989 50 0 DCAARN C[C@H](NC(=O)NCCN1CCCCCC1=O)c1nncn1C ZINC000089913973 395716668 /nfs/dbraw/zinc/71/66/68/395716668.db2.gz GKWQHCDCODZWLY-NSHDSACASA-N 0 0 308.386 0.578 50 0 DCAARN COC(=O)c1ccc(/C=C\C(=O)OCC(=O)NC(N)=O)cc1 ZINC000033499030 395717102 /nfs/dbraw/zinc/71/71/02/395717102.db2.gz OUHFOSKLYGVMOU-DAXSKMNVSA-N 0 0 306.274 0.225 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000035600999 395720765 /nfs/dbraw/zinc/72/07/65/395720765.db2.gz VENIIIMIVSWSKR-UHFFFAOYSA-N 0 0 307.379 0.326 50 0 DCAARN CC(C)Cn1c2nn(CC(N)=O)c(=O)n2c2ccsc2c1=O ZINC000035514511 395720914 /nfs/dbraw/zinc/72/09/14/395720914.db2.gz XTQXCNVEAFGFET-UHFFFAOYSA-N 0 0 321.362 0.014 50 0 DCAARN CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)cs1 ZINC000035784236 395721786 /nfs/dbraw/zinc/72/17/86/395721786.db2.gz AJIGNRTTXFBANF-UHFFFAOYSA-N 0 0 303.409 0.044 50 0 DCAARN CCn1c(=O)c(C(=O)NC2CC2)nn(-c2cccc(C)c2)c1=O ZINC000036086924 395721883 /nfs/dbraw/zinc/72/18/83/395721883.db2.gz LMXFXOVKVJDUBO-UHFFFAOYSA-N 0 0 314.345 0.615 50 0 DCAARN O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccccc1 ZINC000035802371 395722007 /nfs/dbraw/zinc/72/20/07/395722007.db2.gz GNPDQJOTDBVGRJ-HNNXBMFYSA-N 0 0 317.389 0.948 50 0 DCAARN CS(=O)(=O)N1CCC(C(=O)NCC2(O)CCCC2)CC1 ZINC000036110465 395722572 /nfs/dbraw/zinc/72/25/72/395722572.db2.gz WFEHJRZAYVYCKY-UHFFFAOYSA-N 0 0 304.412 0.079 50 0 DCAARN COc1ccccc1N1CCN(CCN2C(=O)CCC2=O)CC1 ZINC000026808003 395694586 /nfs/dbraw/zinc/69/45/86/395694586.db2.gz PZYYRVSHSSHKGQ-UHFFFAOYSA-N 0 0 317.389 0.966 50 0 DCAARN COc1ccc2c(c1)CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC000027066698 395694830 /nfs/dbraw/zinc/69/48/30/395694830.db2.gz LJEQDZIQZVBMBF-UHFFFAOYSA-N 0 0 315.329 0.525 50 0 DCAARN Cc1noc(COC(=O)c2csc(S(N)(=O)=O)c2)n1 ZINC000028392179 395696011 /nfs/dbraw/zinc/69/60/11/395696011.db2.gz ZAAUKDKJPRKJCO-UHFFFAOYSA-N 0 0 303.321 0.444 50 0 DCAARN Cc1cc(NC(=O)CCN2CCN(c3ncccn3)CC2)no1 ZINC000028634215 395696145 /nfs/dbraw/zinc/69/61/45/395696145.db2.gz AHZWIQMIQNQCJA-UHFFFAOYSA-N 0 0 316.365 0.924 50 0 DCAARN CN(C(=O)c1cc(-c2ccco2)n[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000028993754 395696680 /nfs/dbraw/zinc/69/66/80/395696680.db2.gz OHWKDGZJDYTJJE-SECBINFHSA-N 0 0 309.347 0.929 50 0 DCAARN CN(C[C@@H]1CN(Cc2nccn2C)CCO1)c1cccnn1 ZINC000084331627 395697122 /nfs/dbraw/zinc/69/71/22/395697122.db2.gz IMSRAHUILZEXJB-CYBMUJFWSA-N 0 0 302.382 0.547 50 0 DCAARN Cc1ccc([C@H](C)NC(=O)C2CCN(S(N)(=O)=O)CC2)o1 ZINC000029498175 395698639 /nfs/dbraw/zinc/69/86/39/395698639.db2.gz AMAGJBRDRQRWNL-JTQLQIEISA-N 0 0 315.395 0.681 50 0 DCAARN Cc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c(=O)[nH]1 ZINC000029551799 395698694 /nfs/dbraw/zinc/69/86/94/395698694.db2.gz HZNJKPROPSECDE-LLVKDONJSA-N 0 0 303.362 0.619 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)NCCc2cccnc2)n(C)c1 ZINC000029652457 395699114 /nfs/dbraw/zinc/69/91/14/395699114.db2.gz XTRBFPWISKTMDI-UHFFFAOYSA-N 0 0 322.390 0.301 50 0 DCAARN NC(=O)C1CCN(C(=O)NCCc2cn3ccccc3n2)CC1 ZINC000040487802 395733753 /nfs/dbraw/zinc/73/37/53/395733753.db2.gz RWWNLNSOEMEGQM-UHFFFAOYSA-N 0 0 315.377 0.784 50 0 DCAARN COCc1ccc(C(=O)NCCS(=O)(=O)N2CCCC2)o1 ZINC000096152916 395746694 /nfs/dbraw/zinc/74/66/94/395746694.db2.gz DXUKCMPXVIJYBH-UHFFFAOYSA-N 0 0 316.379 0.581 50 0 DCAARN O=C(COCc1nc(-c2cccnc2)no1)NC[C@@H]1CCCO1 ZINC000096182089 395747111 /nfs/dbraw/zinc/74/71/11/395747111.db2.gz ZMLPGDBLBMTALM-LBPRGKRZSA-N 0 0 318.333 0.943 50 0 DCAARN COCCCNC(=O)[C@H](C)N1CCN(c2cnccn2)CC1 ZINC000042633340 395747376 /nfs/dbraw/zinc/74/73/76/395747376.db2.gz XTJJVGHARBDWRS-ZDUSSCGKSA-N 0 0 307.398 0.140 50 0 DCAARN CC(C)N1CCC[C@H](N2CCN(Cc3ccnn3C)CC2)C1=O ZINC000095999469 395741171 /nfs/dbraw/zinc/74/11/71/395741171.db2.gz UKSRQEWVBLPYSP-INIZCTEOSA-N 0 0 319.453 0.937 50 0 DCAARN COC(=O)c1ccc(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000096103378 395744377 /nfs/dbraw/zinc/74/43/77/395744377.db2.gz NTCDPRSTISBTHP-GFCCVEGCSA-N 0 0 311.359 0.732 50 0 DCAARN CS(=O)(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1 ZINC000096099543 395744384 /nfs/dbraw/zinc/74/43/84/395744384.db2.gz YBHRRNVNGOOIDZ-UHFFFAOYSA-N 0 0 307.393 0.618 50 0 DCAARN CC(C)(C)n1nc(C2CCOCC2)nc1CN1C(=O)CNC1=O ZINC000096147883 395746076 /nfs/dbraw/zinc/74/60/76/395746076.db2.gz CKJBBPNWDKQCAV-UHFFFAOYSA-N 0 0 321.381 0.979 50 0 DCAARN Cn1cc(NC(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)nn1 ZINC000096151659 395746282 /nfs/dbraw/zinc/74/62/82/395746282.db2.gz GGGXCYBXIXSYKO-LLVKDONJSA-N 0 0 314.349 0.990 50 0 DCAARN Cn1nnnc1-c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000096427604 395753152 /nfs/dbraw/zinc/75/31/52/395753152.db2.gz KNCIPKUIWFJVTP-UHFFFAOYSA-N 0 0 319.346 0.949 50 0 DCAARN Cn1cccc(NC(=O)N2CCN(CC(F)F)CC2)c1=O ZINC000096435142 395753165 /nfs/dbraw/zinc/75/31/65/395753165.db2.gz KCAYIDNGMQUGLU-UHFFFAOYSA-N 0 0 300.309 0.800 50 0 DCAARN CN(CC(=O)NC1CC1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000096486693 395753879 /nfs/dbraw/zinc/75/38/79/395753879.db2.gz CJCKRNPNPHUKCH-JTQLQIEISA-N 0 0 307.316 0.750 50 0 DCAARN O=c1n(Cc2nc([C@H]3CCOC3)no2)nc2n1CCCCC2 ZINC000096462724 395753897 /nfs/dbraw/zinc/75/38/97/395753897.db2.gz YKIZDVDAKFNIDL-JTQLQIEISA-N 0 0 305.338 0.706 50 0 DCAARN CN(CC(C)(CO)CO)C(=O)c1cc(Br)c[nH]1 ZINC000097236609 395756428 /nfs/dbraw/zinc/75/64/28/395756428.db2.gz PXFGKHFRYQHFNW-UHFFFAOYSA-N 0 0 305.172 0.840 50 0 DCAARN CC(C)NC(=O)[C@H](C)N1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000097378014 395757668 /nfs/dbraw/zinc/75/76/68/395757668.db2.gz MRJUCSDXMMEIJX-QWRGUYRKSA-N 0 0 311.348 0.440 50 0 DCAARN O=C(Cn1cccn1)N1CCN(Cc2ccoc2)C[C@H](O)C1 ZINC000097475036 395757961 /nfs/dbraw/zinc/75/79/61/395757961.db2.gz PSALALJWTYFIGS-AWEZNQCLSA-N 0 0 304.350 0.181 50 0 DCAARN CN(CCNC(=O)c1ccccc1-c1nc[nH]n1)S(C)(=O)=O ZINC000097475506 395758111 /nfs/dbraw/zinc/75/81/11/395758111.db2.gz QTHFDAUBHHWJGQ-UHFFFAOYSA-N 0 0 323.378 0.093 50 0 DCAARN CC(=O)NCCCNC(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000046889856 395782192 /nfs/dbraw/zinc/78/21/92/395782192.db2.gz LKUJWWXJLUTOJC-CYBMUJFWSA-N 0 0 321.377 0.994 50 0 DCAARN C[C@@H](C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)N1CCCCC1=O ZINC000107058047 395784711 /nfs/dbraw/zinc/78/47/11/395784711.db2.gz BALFSZAZMDGRQM-ILXRZTDVSA-N 0 0 323.437 0.567 50 0 DCAARN CCn1cnnc1CNC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000047021198 395785780 /nfs/dbraw/zinc/78/57/80/395785780.db2.gz LOEMSYVJISCOAH-GFCCVEGCSA-N 0 0 300.318 0.696 50 0 DCAARN O=C(Cc1cnc[nH]1)N1CCN(Cc2ccco2)C[C@@H](O)C1 ZINC000097601055 395759494 /nfs/dbraw/zinc/75/94/94/395759494.db2.gz HYXNOBHKYXKZLZ-CYBMUJFWSA-N 0 0 304.350 0.251 50 0 DCAARN CCNC(=O)CNC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000044915674 395759560 /nfs/dbraw/zinc/75/95/60/395759560.db2.gz OVHNCUXMRQCGCO-VXGBXAGGSA-N 0 0 320.393 0.561 50 0 DCAARN CCc1nc(CN(C)C(=O)CC[C@H]2NC(=O)NC2=O)cs1 ZINC000097931183 395760766 /nfs/dbraw/zinc/76/07/66/395760766.db2.gz YSUMWZBOXTXCSJ-SECBINFHSA-N 0 0 310.379 0.652 50 0 DCAARN CCNC(=O)N1CCC[C@H](n2c(=O)n(C)c3cncnc32)C1 ZINC000097940769 395761260 /nfs/dbraw/zinc/76/12/60/395761260.db2.gz BSECZAWMPLWKPW-JTQLQIEISA-N 0 0 304.354 0.496 50 0 DCAARN Cc1ccc(/C=C\C(=O)NC[C@@H](Cc2cnn(C)c2)C(N)=O)o1 ZINC000098053185 395761653 /nfs/dbraw/zinc/76/16/53/395761653.db2.gz TVUVRYCIRJZSFZ-CFHLNLSMSA-N 0 0 316.361 0.795 50 0 DCAARN CN1CCN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000100099784 395762440 /nfs/dbraw/zinc/76/24/40/395762440.db2.gz UNFNGAODJTVAFN-BETUJISGSA-N 0 0 305.378 0.102 50 0 DCAARN CCn1c(=O)c(C(=O)NCC[NH2+]CCO)c([O-])c2ccccc21 ZINC000100606394 395763197 /nfs/dbraw/zinc/76/31/97/395763197.db2.gz HNCJRUJIGJQHFJ-UHFFFAOYSA-N 0 0 319.361 0.039 50 0 DCAARN CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@@H]1NC(C)=O ZINC000101135844 395764316 /nfs/dbraw/zinc/76/43/16/395764316.db2.gz XCDVOAZVARITEI-YUDUXTHKSA-N 0 0 323.345 0.338 50 0 DCAARN CC(C)CNC(=O)CNc1c(=O)c(=O)c1NCc1ccco1 ZINC000101695075 395766569 /nfs/dbraw/zinc/76/65/69/395766569.db2.gz PXIHFBHNRZDPRM-UHFFFAOYSA-N 0 0 305.334 0.672 50 0 DCAARN O=C(NCCc1cccc(F)c1)[C@H]1[C@@H]2C[N@H+](C[C@H](O)CO)C[C@@H]21 ZINC000102267871 395769534 /nfs/dbraw/zinc/76/95/34/395769534.db2.gz UUPIHNSLYZVDLF-CAOSSQGBSA-N 0 0 322.380 0.015 50 0 DCAARN Cc1csc(CCCNC(=O)[C@H](C)NS(C)(=O)=O)n1 ZINC000102483653 395770446 /nfs/dbraw/zinc/77/04/46/395770446.db2.gz DYFCUANBDJDXJB-VIFPVBQESA-N 0 0 305.425 0.438 50 0 DCAARN CC[C@H]1CN(C(=O)Cc2ccc(-n3cnnn3)cc2)CCO1 ZINC000048137806 395809247 /nfs/dbraw/zinc/80/92/47/395809247.db2.gz XRRFFDSCXMTUJX-AWEZNQCLSA-N 0 0 301.350 0.842 50 0 DCAARN O=C(NC[C@@H](O)c1ccccc1F)N[C@H]1CCS(=O)(=O)C1 ZINC000048303145 395813137 /nfs/dbraw/zinc/81/31/37/395813137.db2.gz QEXLETAVQKQXKC-JOYOIKCWSA-N 0 0 316.354 0.345 50 0 DCAARN CNC(=O)C1CN([C@H](C)C(=O)Nc2cc(OC)ccc2OC)C1 ZINC000225387607 395858845 /nfs/dbraw/zinc/85/88/45/395858845.db2.gz FPYNUCBHOLVEOJ-SNVBAGLBSA-N 0 0 321.377 0.709 50 0 DCAARN CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3cnccn3)C2)n1 ZINC000225401905 395859252 /nfs/dbraw/zinc/85/92/52/395859252.db2.gz GYVYPYKSUIMVRY-LLVKDONJSA-N 0 0 314.349 0.626 50 0 DCAARN COc1ncccc1CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000048938909 395825313 /nfs/dbraw/zinc/82/53/13/395825313.db2.gz IFWKAPFFAXQVSY-LBPRGKRZSA-N 0 0 308.382 0.610 50 0 DCAARN CNC(=O)c1cc(NC(=O)NC[C@H]2COCCO2)ccc1F ZINC000050085033 395835972 /nfs/dbraw/zinc/83/59/72/395835972.db2.gz UTSDSLRRJYMDMH-JTQLQIEISA-N 0 0 311.313 0.722 50 0 DCAARN CCn1cnnc1CCNC(=O)Cc1ccc2c(c1)OCO2 ZINC000219046182 395844694 /nfs/dbraw/zinc/84/46/94/395844694.db2.gz GYPXJBJQPRYJAT-UHFFFAOYSA-N 0 0 302.334 0.928 50 0 DCAARN COCc1cc(CNC(=O)[C@H](O)c2ccc(OC)cc2)[nH]n1 ZINC000219073107 395844717 /nfs/dbraw/zinc/84/47/17/395844717.db2.gz RPKTWXDTAQWVLG-CQSZACIVSA-N 0 0 305.334 0.915 50 0 DCAARN CCCO[C@@H](C)C(=O)NCCn1[nH]c(=O)c2ccccc2c1=O ZINC000219413924 395845524 /nfs/dbraw/zinc/84/55/24/395845524.db2.gz UKIJOPFMWJZLSS-NSHDSACASA-N 0 0 319.361 0.621 50 0 DCAARN CC(=O)c1c(C)nn(CC(=O)NCCc2ncnn2C)c1C ZINC000219606382 395846085 /nfs/dbraw/zinc/84/60/85/395846085.db2.gz WDWAUMNSHBVYPS-UHFFFAOYSA-N 0 0 304.354 0.190 50 0 DCAARN Cn1nccc1[C@H](O)c1cc2n(n1)CCN(C1CCOCC1)C2 ZINC000219668067 395846392 /nfs/dbraw/zinc/84/63/92/395846392.db2.gz JBKXZWGJUQAFHF-MRXNPFEDSA-N 0 0 317.393 0.693 50 0 DCAARN NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccc(Cl)s1 ZINC000220006170 395847016 /nfs/dbraw/zinc/84/70/16/395847016.db2.gz BXVJBPCLCWWUPI-SFYZADRCSA-N 0 0 318.782 0.791 50 0 DCAARN Cc1cc(NC(=O)CN2CCC(N3CCNC3=O)CC2)no1 ZINC000052215864 395860809 /nfs/dbraw/zinc/86/08/09/395860809.db2.gz XNBQJRUGIHRZMA-UHFFFAOYSA-N 0 0 307.354 0.411 50 0 DCAARN O=C([C@H](O)C1CCCCC1)N1CCN(CCn2cncn2)CC1 ZINC000220260313 395847885 /nfs/dbraw/zinc/84/78/85/395847885.db2.gz WOLGBNNNOHNEBP-OAHLLOKOSA-N 0 0 321.425 0.364 50 0 DCAARN C[C@H](C(=O)NC1CC1)N1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC000051181164 395848249 /nfs/dbraw/zinc/84/82/49/395848249.db2.gz QCWRZUVNPPXJQJ-CYBMUJFWSA-N 0 0 318.421 0.170 50 0 DCAARN O=C(N[C@H]1CCOC1)c1ccccc1N1CCS(=O)(=O)CC1 ZINC000220392541 395848917 /nfs/dbraw/zinc/84/89/17/395848917.db2.gz GUHAXAREULNDAD-LBPRGKRZSA-N 0 0 324.402 0.440 50 0 DCAARN Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)CCc2cnccn2)C1 ZINC000220618135 395849827 /nfs/dbraw/zinc/84/98/27/395849827.db2.gz LZEBAHKSMGTLKE-KLPPZKSPSA-N 0 0 316.365 0.092 50 0 DCAARN O=C(Cn1cnnn1)NCc1cnn(-c2cccc(F)c2)c1 ZINC000221273105 395850681 /nfs/dbraw/zinc/85/06/81/395850681.db2.gz MKPYACNZYDWBHZ-UHFFFAOYSA-N 0 0 301.285 0.314 50 0 DCAARN O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@@H]([C@@H]2NC(=O)NC2=O)C1 ZINC000222157725 395851970 /nfs/dbraw/zinc/85/19/70/395851970.db2.gz SLLOCYNFMWZMAW-UZWSLXQKSA-N 0 0 317.345 0.830 50 0 DCAARN CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)CN1CCOCC1)C2 ZINC000222474241 395852556 /nfs/dbraw/zinc/85/25/56/395852556.db2.gz XIPKBRVBIWEAFV-OAHLLOKOSA-N 0 0 322.409 0.391 50 0 DCAARN CCn1cc(S(=O)(=O)N[C@H]2[C@@H](COC)[C@H]3OCC[C@@H]23)cn1 ZINC000222889398 395853390 /nfs/dbraw/zinc/85/33/90/395853390.db2.gz MWXIDDUDOMSJCG-LOWDOPEQSA-N 0 0 315.395 0.231 50 0 DCAARN CC(C)Cc1cc(CNC(=O)[C@H](C)NS(C)(=O)=O)on1 ZINC000222922218 395853751 /nfs/dbraw/zinc/85/37/51/395853751.db2.gz NBGZEWMZEQVDFY-VIFPVBQESA-N 0 0 303.384 0.427 50 0 DCAARN NC(=O)COc1ccc(S(=O)(=O)NCc2cccnc2)cc1 ZINC000223295133 395855313 /nfs/dbraw/zinc/85/53/13/395855313.db2.gz UAAOULWQDBRENQ-UHFFFAOYSA-N 0 0 321.358 0.424 50 0 DCAARN Cc1nc2c([nH]1)CC[C@H](C(=O)NCCCN1CCOCC1)C2 ZINC000225516645 395861331 /nfs/dbraw/zinc/86/13/31/395861331.db2.gz ROJNWNDJQTUPNM-ZDUSSCGKSA-N 0 0 306.410 0.662 50 0 DCAARN COc1ccc([C@H](NC(=O)Cn2ccnc2)C2CC(O)C2)cn1 ZINC000223892792 395857206 /nfs/dbraw/zinc/85/72/06/395857206.db2.gz FVXQSRHWBAVHAU-ZUEPYMLJSA-N 0 0 316.361 0.915 50 0 DCAARN COCCN(CC(=O)N(C)C)Cc1cc(C)c(C(=O)OC)o1 ZINC000051922154 395857454 /nfs/dbraw/zinc/85/74/54/395857454.db2.gz MQTYRKZMOLEPNK-UHFFFAOYSA-N 0 0 312.366 0.911 50 0 DCAARN COc1ccc([C@@H](NC(=O)Cn2ccnc2)C2CC(O)C2)cn1 ZINC000223892735 395857582 /nfs/dbraw/zinc/85/75/82/395857582.db2.gz FVXQSRHWBAVHAU-SEEARECTSA-N 0 0 316.361 0.915 50 0 DCAARN Cn1cnnc1S(=O)(=O)CC(=O)N1CCCc2ccccc21 ZINC000047622184 395797499 /nfs/dbraw/zinc/79/74/99/395797499.db2.gz HPCJYGMFDNUXRI-UHFFFAOYSA-N 0 0 320.374 0.568 50 0 DCAARN Cc1nc2c(cnn2C)c(N2CCC(N3CCNC3=O)CC2)n1 ZINC000054123667 395893932 /nfs/dbraw/zinc/89/39/32/395893932.db2.gz CMUPKQHGKAHQON-UHFFFAOYSA-N 0 0 315.381 0.666 50 0 DCAARN COc1cc(CCC(=O)N2CCNC(=O)CC2)cc(OC)c1 ZINC000054547532 395902612 /nfs/dbraw/zinc/90/26/12/395902612.db2.gz KVYCNMSTLLXVST-UHFFFAOYSA-N 0 0 306.362 0.985 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000054798100 395906011 /nfs/dbraw/zinc/90/60/11/395906011.db2.gz QDNNTBRGCYQFNU-LBPRGKRZSA-N 0 0 322.390 0.542 50 0 DCAARN CCN1CCN(C(=O)Cn2nc(-c3cccs3)oc2=O)CC1 ZINC000055169649 395912740 /nfs/dbraw/zinc/91/27/40/395912740.db2.gz QOYYJFVDKRIYDP-UHFFFAOYSA-N 0 0 322.390 0.729 50 0 DCAARN O=C(NC[C@@H]1COCCO1)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000055846877 395922829 /nfs/dbraw/zinc/92/28/29/395922829.db2.gz BLYUKWUYCWZASA-OCCSQVGLSA-N 0 0 308.309 0.850 50 0 DCAARN Cn1cc([C@H](NC(=O)c2[nH]nc(N)c2Cl)[C@H]2C[C@@H](O)C2)cn1 ZINC000244873506 395926329 /nfs/dbraw/zinc/92/63/29/395926329.db2.gz WRJCGQAVJCPTNN-KDILMLJESA-N 0 0 324.772 0.621 50 0 DCAARN NC(=O)[C@@H](O)CNC(=O)Nc1nc(-c2ccccc2)ns1 ZINC000225552224 395861693 /nfs/dbraw/zinc/86/16/93/395861693.db2.gz FXIKYONFQYFHMI-QMMMGPOBSA-N 0 0 307.335 0.173 50 0 DCAARN CCS(=O)(=O)c1ccc(N2CCN(CCO)[C@@H](C)C2)cc1 ZINC000225524239 395861726 /nfs/dbraw/zinc/86/17/26/395861726.db2.gz DHVHZRQIMDTHHD-ZDUSSCGKSA-N 0 0 312.435 0.983 50 0 DCAARN CC(C)OC(=O)CC[C@H](C)NC(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000225702176 395862133 /nfs/dbraw/zinc/86/21/33/395862133.db2.gz GWLGZUUMPWUWKB-NWDGAFQWSA-N 0 0 313.398 0.979 50 0 DCAARN Cn1nc2c(cc1=O)C[C@@H](NC(=O)c1[nH]nc3ccccc31)CC2 ZINC000225788607 395863679 /nfs/dbraw/zinc/86/36/79/395863679.db2.gz FXSBJEOYDWWKKM-NSHDSACASA-N 0 0 323.356 0.944 50 0 DCAARN CS(=O)(=O)N1CCC[C@@H]1C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000052602129 395865674 /nfs/dbraw/zinc/86/56/74/395865674.db2.gz VXJWIQYGBAOAPZ-LLVKDONJSA-N 0 0 308.363 0.347 50 0 DCAARN CCn1nc(C)cc1CNC(=O)CCCC(=O)N1CCOCC1 ZINC000226746653 395867223 /nfs/dbraw/zinc/86/72/23/395867223.db2.gz KYEWLBNAEJDWOI-UHFFFAOYSA-N 0 0 322.409 0.857 50 0 DCAARN NC(=O)CO[C@@H]1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000229412541 395874631 /nfs/dbraw/zinc/87/46/31/395874631.db2.gz IKCVHGWQQCZYQR-GDBMZVCRSA-N 0 0 317.389 0.583 50 0 DCAARN C[C@@H](C(=O)N1CCCC1)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000229778499 395876826 /nfs/dbraw/zinc/87/68/26/395876826.db2.gz HDQCIPSKGDISKP-NWDGAFQWSA-N 0 0 303.428 0.011 50 0 DCAARN Cc1ccc(S(N)(=O)=O)cc1C(=O)NCC[C@H]1CCOC1 ZINC000230168871 395878733 /nfs/dbraw/zinc/87/87/33/395878733.db2.gz AYQMLJXQQVADRQ-NSHDSACASA-N 0 0 312.391 0.799 50 0 DCAARN Cn1ccc(C(=O)NC[C@@H](O)COc2cccc(F)c2)cc1=O ZINC000056673055 395932634 /nfs/dbraw/zinc/93/26/34/395932634.db2.gz FRWTVYKKGCXJIX-CYBMUJFWSA-N 0 0 320.320 0.694 50 0 DCAARN CC(C)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000058169172 395951684 /nfs/dbraw/zinc/95/16/84/395951684.db2.gz VRTSGKHFWYPQMT-UHFFFAOYSA-N 0 0 304.394 0.893 50 0 DCAARN O=C(CN1CCOc2ccccc21)N[C@@H]1CCCCNC1=O ZINC000058420592 395953232 /nfs/dbraw/zinc/95/32/32/395953232.db2.gz YRSWQGGBIBLHTL-GFCCVEGCSA-N 0 0 303.362 0.670 50 0 DCAARN C[C@@H](C(=O)Nc1ncccn1)N1CCN(c2cnccn2)CC1 ZINC000058401476 395953286 /nfs/dbraw/zinc/95/32/86/395953286.db2.gz VNCCHYXQTXJJPP-LBPRGKRZSA-N 0 0 313.365 0.416 50 0 DCAARN Cc1ncc2c(n1)CN([C@H](C)C(=O)NC[C@H]1CCCO1)CC2 ZINC000247972311 395980604 /nfs/dbraw/zinc/98/06/04/395980604.db2.gz STPNDZCFACHWCD-BXUZGUMPSA-N 0 0 304.394 0.827 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CC[C@@H](Nc3cccnc3)C2)c1 ZINC000065268103 395992067 /nfs/dbraw/zinc/99/20/67/395992067.db2.gz RPZRIORJWBYRQW-GFCCVEGCSA-N 0 0 307.379 0.690 50 0 DCAARN CCCN1C[C@H](Nc2nccc(N3CCC(O)CC3)n2)CC1=O ZINC000065398288 395993234 /nfs/dbraw/zinc/99/32/34/395993234.db2.gz OVINNGADSHAULV-GFCCVEGCSA-N 0 0 319.409 0.861 50 0 DCAARN CCCN1C(=O)N[C@H](CC(=O)NCCn2ccnc2C)C1=O ZINC000252510304 396022598 /nfs/dbraw/zinc/02/25/98/396022598.db2.gz ZGOIBSSPZKPDQQ-LLVKDONJSA-N 0 0 307.354 0.028 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)C[C@H]1COC ZINC000253406477 396026850 /nfs/dbraw/zinc/02/68/50/396026850.db2.gz IYWPBJVTTOISCD-NWDGAFQWSA-N 0 0 324.352 0.915 50 0 DCAARN COCCS(=O)(=O)Nc1cc(N2CCNC2=O)ccc1F ZINC000253421220 396028170 /nfs/dbraw/zinc/02/81/70/396028170.db2.gz SAYTVGPFBJYMLC-UHFFFAOYSA-N 0 0 317.342 0.743 50 0 DCAARN CCc1nc(CN2CCC([C@@H](O)C(=O)NC3CC3)CC2)no1 ZINC000253429278 396028610 /nfs/dbraw/zinc/02/86/10/396028610.db2.gz CNUMSWIHQSORIU-CQSZACIVSA-N 0 0 308.382 0.484 50 0 DCAARN COc1ccc2c(c1)OC[C@H](NS(=O)(=O)c1ccnn1C)C2 ZINC000253429945 396028617 /nfs/dbraw/zinc/02/86/17/396028617.db2.gz VWHCWOJYZDQVDZ-LLVKDONJSA-N 0 0 323.374 0.711 50 0 DCAARN Cn1nccc1N1CCC[C@H](NC(=O)CCc2cnccn2)C1 ZINC000253429032 396028773 /nfs/dbraw/zinc/02/87/73/396028773.db2.gz OFKBNXGIRSOECR-AWEZNQCLSA-N 0 0 314.393 0.928 50 0 DCAARN C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H](c2ccsc2)O1 ZINC000253432337 396028999 /nfs/dbraw/zinc/02/89/99/396028999.db2.gz ZLAFTULWNNHREI-AAEUAGOBSA-N 0 0 324.402 0.895 50 0 DCAARN CN(C)c1nc([C@H]2C[C@@H](NS(=O)(=O)C3CC3)C2)cc(=O)[nH]1 ZINC000253534773 396029670 /nfs/dbraw/zinc/02/96/70/396029670.db2.gz BHQVGHBXQAIHLO-DTORHVGOSA-N 0 0 312.395 0.576 50 0 DCAARN C[C@@H]1CN(c2cc(N3CCC[C@H]3C(N)=O)ncn2)C[C@H](C)O1 ZINC000253603858 396031632 /nfs/dbraw/zinc/03/16/32/396031632.db2.gz NZGBWCATMWNPEU-TUAOUCFPSA-N 0 0 305.382 0.544 50 0 DCAARN COc1cccc(OCc2cc(C(=O)NC[C@H](O)CO)[nH]n2)c1 ZINC000067805333 396033793 /nfs/dbraw/zinc/03/37/93/396033793.db2.gz JGVSSTWEODHLBV-NSHDSACASA-N 0 0 321.333 0.080 50 0 DCAARN O=C(c1ccccn1)N1CCOCCNC(=O)[C@@H]2CCC[C@@H]21 ZINC000257182800 396034054 /nfs/dbraw/zinc/03/40/54/396034054.db2.gz GWVQJSYAYNDUKP-OCCSQVGLSA-N 0 0 303.362 0.839 50 0 DCAARN COc1cccc(C(=O)N2C[C@@H](CO)[C@H](NC(C)=O)C2)c1OC ZINC000257174936 396034217 /nfs/dbraw/zinc/03/42/17/396034217.db2.gz MCYUVBIHXUNOPH-WCQYABFASA-N 0 0 322.361 0.273 50 0 DCAARN O=C(N[C@@H]1CN(Cc2ccoc2)C[C@H]1CO)c1cnccn1 ZINC000257178363 396034474 /nfs/dbraw/zinc/03/44/74/396034474.db2.gz BRTCWUKNSFIKQH-GXTWGEPZSA-N 0 0 302.334 0.292 50 0 DCAARN COC[C@@H]1CN(C(=O)c2ccc(OC)c(OC)c2)C[C@H]1C(N)=O ZINC000257180685 396034483 /nfs/dbraw/zinc/03/44/83/396034483.db2.gz DUSHZIMLAKPXQW-NWDGAFQWSA-N 0 0 322.361 0.524 50 0 DCAARN COc1ccc(CC(=O)N2C[C@@H](CO)[C@H](NC(C)=O)C2)cc1 ZINC000257187885 396035329 /nfs/dbraw/zinc/03/53/29/396035329.db2.gz MEDGHGOGIDUHNW-DZGCQCFKSA-N 0 0 306.362 0.193 50 0 DCAARN C[C@@H]1CN(C(=O)c2cc(CN3CCOCC3)on2)CCN1C ZINC000067855782 396036473 /nfs/dbraw/zinc/03/64/73/396036473.db2.gz QDXTWJGZAZLKLP-GFCCVEGCSA-N 0 0 308.382 0.283 50 0 DCAARN O=C(c1scc2c1OCCO2)N1Cc2cnn(CCO)c2C1 ZINC000067871543 396037513 /nfs/dbraw/zinc/03/75/13/396037513.db2.gz XOQINPGYHPJXRB-UHFFFAOYSA-N 0 0 321.358 0.864 50 0 DCAARN CCc1nc(C)ccc1OCC(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC000067982600 396041719 /nfs/dbraw/zinc/04/17/19/396041719.db2.gz STEUDUSLIWDGCJ-LLVKDONJSA-N 0 0 310.375 0.758 50 0 DCAARN O=C(NCCN1CCOCC1)NC[C@H](O)c1cccc(F)c1 ZINC000069203381 396072291 /nfs/dbraw/zinc/07/22/91/396072291.db2.gz NKEKGJLRMSPZOZ-AWEZNQCLSA-N 0 0 311.357 0.491 50 0 DCAARN COCCNC(=O)NCC1CCN(c2ncc(F)cn2)CC1 ZINC000252478356 396020086 /nfs/dbraw/zinc/02/00/86/396020086.db2.gz AKADXBJNLJRYDM-UHFFFAOYSA-N 0 0 311.361 0.778 50 0 DCAARN Cc1cnc(CCNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)s1 ZINC000252489193 396020916 /nfs/dbraw/zinc/02/09/16/396020916.db2.gz JJZVNNOXMXFSDB-SNVBAGLBSA-N 0 0 317.436 0.823 50 0 DCAARN Cc1nnc(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)s1 ZINC000069662898 396086396 /nfs/dbraw/zinc/08/63/96/396086396.db2.gz WOIGCSGNAKLKPD-NSHDSACASA-N 0 0 321.410 0.789 50 0 DCAARN CC(=O)N1CCN(C(=O)CCNC(=O)c2sccc2C)CC1 ZINC000069697870 396087188 /nfs/dbraw/zinc/08/71/88/396087188.db2.gz NCRXYNXTBBQCRG-UHFFFAOYSA-N 0 0 323.418 0.867 50 0 DCAARN CCc1nnc([C@H](C)N2CCN(CC(=O)N3CCCC3)CC2)o1 ZINC000069702134 396087813 /nfs/dbraw/zinc/08/78/13/396087813.db2.gz OAZZTZJMTYLNRI-ZDUSSCGKSA-N 0 0 321.425 0.933 50 0 DCAARN C[C@H](Cn1ccnc1)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000069739197 396088272 /nfs/dbraw/zinc/08/82/72/396088272.db2.gz OHAIWPFEVTZRPN-NXEZZACHSA-N 0 0 318.299 0.799 50 0 DCAARN C[C@H](Cn1cncn1)NS(=O)(=O)c1cccc(F)c1F ZINC000069737932 396088805 /nfs/dbraw/zinc/08/88/05/396088805.db2.gz DDCNBBXLIAGGNZ-MRVPVSSYSA-N 0 0 302.306 0.923 50 0 DCAARN CN1C[C@@H](C(=O)N2CCCN(Cc3cscn3)CC2)CC1=O ZINC000069776791 396090509 /nfs/dbraw/zinc/09/05/09/396090509.db2.gz OYAQCUKACDVRNU-LBPRGKRZSA-N 0 0 322.434 0.656 50 0 DCAARN O[C@H](COc1ccccc1)CN1CCO[C@H](Cn2cncn2)C1 ZINC000069810408 396090770 /nfs/dbraw/zinc/09/07/70/396090770.db2.gz FFPHVRICEYFSCC-HOCLYGCPSA-N 0 0 318.377 0.419 50 0 DCAARN COCCN1C(=O)c2cccn2C[C@@H]1CNC(=O)C1CCC1 ZINC000169781149 396091826 /nfs/dbraw/zinc/09/18/26/396091826.db2.gz PYIFYJNCNIABRD-ZDUSSCGKSA-N 0 0 305.378 0.875 50 0 DCAARN O=C(COc1ccccc1)N[C@H]1CCc2n[nH]c(=O)n2CC1 ZINC000169783349 396091934 /nfs/dbraw/zinc/09/19/34/396091934.db2.gz JOEXVEZAZHBPDH-NSHDSACASA-N 0 0 302.334 0.472 50 0 DCAARN CNC(=O)N1CCC([C@@H]2CCN(C(=O)c3cnccn3)C2)CC1 ZINC000169781595 396092044 /nfs/dbraw/zinc/09/20/44/396092044.db2.gz AEWITXKIYKWEJO-CYBMUJFWSA-N 0 0 317.393 0.990 50 0 DCAARN NS(=O)(=O)c1ccc(/C=C/C(=O)NCCn2cccc2)cc1 ZINC000170619948 396095829 /nfs/dbraw/zinc/09/58/29/396095829.db2.gz PCDUZAOKFIGJGJ-VMPITWQZSA-N 0 0 319.386 0.965 50 0 DCAARN Cc1csc(=O)n1CCC(=O)OCCN1CCOC[C@H]1C ZINC000170616648 396096015 /nfs/dbraw/zinc/09/60/15/396096015.db2.gz OHEWUODKHKICSV-LLVKDONJSA-N 0 0 314.407 0.872 50 0 DCAARN Cc1nc(S(=O)(=O)NCc2cccc3c2OCO3)cn1C ZINC000170733733 396096696 /nfs/dbraw/zinc/09/66/96/396096696.db2.gz FQTCGGUNLFNYMJ-UHFFFAOYSA-N 0 0 309.347 0.936 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)c2cnn3ccc(C)nc23)CC1 ZINC000069976790 396097406 /nfs/dbraw/zinc/09/74/06/396097406.db2.gz VGTMNMJEBKHDLS-CYBMUJFWSA-N 0 0 317.393 0.566 50 0 DCAARN COC(=O)NCCCC(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000070036399 396098404 /nfs/dbraw/zinc/09/84/04/396098404.db2.gz KLPJTOVUIFKTRW-UHFFFAOYSA-N 0 0 318.337 0.952 50 0 DCAARN CCCCc1nc(CN2CCO[C@@H](Cn3cncn3)C2)no1 ZINC000070039705 396099019 /nfs/dbraw/zinc/09/90/19/396099019.db2.gz DICLLVNRGUHPPR-GFCCVEGCSA-N 0 0 306.370 0.905 50 0 DCAARN O=C(NCCn1nc(-n2cccn2)ccc1=O)c1ccccn1 ZINC000070640945 396102893 /nfs/dbraw/zinc/10/28/93/396102893.db2.gz VSPGTGYKIKACEB-UHFFFAOYSA-N 0 0 310.317 0.254 50 0 DCAARN COC(CNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1)OC ZINC000070641329 396102901 /nfs/dbraw/zinc/10/29/01/396102901.db2.gz IYPUFJNGVRSOCP-CYBMUJFWSA-N 0 0 322.361 0.149 50 0 DCAARN CC(C)(C)OC(=O)CCOCCOCCOCCOCCO ZINC000071257133 396111213 /nfs/dbraw/zinc/11/12/13/396111213.db2.gz FJRDXEGYAVAMLB-UHFFFAOYSA-N 0 0 322.398 0.777 50 0 DCAARN CCOc1ncccc1C(=O)N1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1 ZINC000071589415 396114239 /nfs/dbraw/zinc/11/42/39/396114239.db2.gz LGPIREUBYFLJAG-XCCSTKFXSA-N 0 0 306.362 0.684 50 0 DCAARN O[C@H](Cn1nnc(-c2cccc(Cl)c2)n1)CN1CCOCC1 ZINC000071810522 396115242 /nfs/dbraw/zinc/11/52/42/396115242.db2.gz CQRBQPGBDUANSR-ZDUSSCGKSA-N 0 0 323.784 0.687 50 0 DCAARN Cc1nn(C)c(C)c1NC(=O)CN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000071799524 396115315 /nfs/dbraw/zinc/11/53/15/396115315.db2.gz YCPSZTPTZZTJAU-CABZTGNLSA-N 0 0 307.398 0.561 50 0 DCAARN Cc1cc(C(=O)N2CCN(Cc3cc(C)on3)CC2)n(C)n1 ZINC000071817193 396116261 /nfs/dbraw/zinc/11/62/61/396116261.db2.gz GCNNEWSJZVLFQH-UHFFFAOYSA-N 0 0 303.366 0.983 50 0 DCAARN NC(=O)[C@H]1CCN(CCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000071824750 396117058 /nfs/dbraw/zinc/11/70/58/396117058.db2.gz FVJLOELOVNTCCP-NSHDSACASA-N 0 0 314.382 0.797 50 0 DCAARN C[C@@H]1CN(C[C@H](O)Cn2cnc3sccc3c2=O)C[C@@H](C)O1 ZINC000071825079 396117216 /nfs/dbraw/zinc/11/72/16/396117216.db2.gz GSTXRNABKYSWEI-UTUOFQBUSA-N 0 0 323.418 0.928 50 0 DCAARN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-n2cccn2)nc1 ZINC000071829664 396117331 /nfs/dbraw/zinc/11/73/31/396117331.db2.gz UCRCKXQQHLUDQB-AAEUAGOBSA-N 0 0 313.361 0.993 50 0 DCAARN CC(C)c1nccn1[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000071870856 396120433 /nfs/dbraw/zinc/12/04/33/396120433.db2.gz HOHLJASZISMTRG-LBPRGKRZSA-N 0 0 303.370 0.857 50 0 DCAARN Cc1nc(CN2CCCN(Cc3nnnn3C3CC3)CC2)no1 ZINC000071871618 396120542 /nfs/dbraw/zinc/12/05/42/396120542.db2.gz KQZKSWINWKTOTO-UHFFFAOYSA-N 0 0 318.385 0.407 50 0 DCAARN CC(=O)NC1(C(=O)N2CCN(C[C@@H](C)O)CC2)CCCCC1 ZINC000071871321 396120678 /nfs/dbraw/zinc/12/06/78/396120678.db2.gz KWQBPXAKBPSYRY-CYBMUJFWSA-N 0 0 311.426 0.350 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)c2cnc(C)s2)CC1 ZINC000071881972 396122489 /nfs/dbraw/zinc/12/24/89/396122489.db2.gz UGOFFROWNZWTHT-LBPRGKRZSA-N 0 0 313.423 0.607 50 0 DCAARN CCNS(=O)(=O)CCNC(=O)c1ccc(OC)cc1O ZINC000071890857 396123855 /nfs/dbraw/zinc/12/38/55/396123855.db2.gz QJHZTTVCMPVWSU-UHFFFAOYSA-N 0 0 302.352 0.070 50 0 DCAARN Cc1ccc(-n2nnnc2N2CCC[C@@H](OCCO)C2)cc1 ZINC000071908978 396124842 /nfs/dbraw/zinc/12/48/42/396124842.db2.gz IHPCNOLHNPVYQW-CQSZACIVSA-N 0 0 303.366 0.948 50 0 DCAARN Cc1nn(C)c(C)c1CCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000171868259 396126932 /nfs/dbraw/zinc/12/69/32/396126932.db2.gz DGAGWAPGCMQIBH-GFCCVEGCSA-N 0 0 317.397 0.485 50 0 DCAARN NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](n3cncn3)C2)C1 ZINC000072234744 396126978 /nfs/dbraw/zinc/12/69/78/396126978.db2.gz FWMJLUYYWBHAQY-NEPJUHHUSA-N 0 0 306.370 0.232 50 0 DCAARN Cc1nc(C)n([C@@H]2CCCN(C(=O)C3=NNC(=O)CC3)C2)n1 ZINC000072235198 396127484 /nfs/dbraw/zinc/12/74/84/396127484.db2.gz OOVMOGFPRHIQBN-LLVKDONJSA-N 0 0 304.354 0.324 50 0 DCAARN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000072254951 396127977 /nfs/dbraw/zinc/12/79/77/396127977.db2.gz JOEVSTOFWPLYLG-STQMWFEESA-N 0 0 308.407 0.968 50 0 DCAARN Cc1nc(C)n(C[C@H]2CN(CCN3CCCC3=O)CCO2)n1 ZINC000072253498 396128158 /nfs/dbraw/zinc/12/81/58/396128158.db2.gz IHYMMKWPRDEIAY-CQSZACIVSA-N 0 0 307.398 0.218 50 0 DCAARN CN(CC(=O)N1CCCC1)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000072276028 396128792 /nfs/dbraw/zinc/12/87/92/396128792.db2.gz LLCJQQQIKAXGEL-CYBMUJFWSA-N 0 0 319.409 0.496 50 0 DCAARN COc1ccnc(N2CCN(Cc3nccn3C)[C@@H](C)C2)n1 ZINC000072276322 396129178 /nfs/dbraw/zinc/12/91/78/396129178.db2.gz XLTOIYUIIYQDKP-LBPRGKRZSA-N 0 0 302.382 0.929 50 0 DCAARN CCc1ccc(CC(=O)N2CC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000072295690 396129610 /nfs/dbraw/zinc/12/96/10/396129610.db2.gz LFHFEQPCKCWHDX-MRXNPFEDSA-N 0 0 301.346 0.602 50 0 DCAARN O=C(Cc1ccc2c(c1)CCC2)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000072290712 396129663 /nfs/dbraw/zinc/12/96/63/396129663.db2.gz ZDIBTGCGTHJNDG-KRWDZBQOSA-N 0 0 313.357 0.528 50 0 DCAARN C[C@H](Cc1ccccc1)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000072290636 396129859 /nfs/dbraw/zinc/12/98/59/396129859.db2.gz CXTFDVUUKXXHAL-BZNIZROVSA-N 0 0 301.346 0.676 50 0 DCAARN Cn1cc(S(=O)(=O)N2CCc3ccccc3[C@@H]2C(N)=O)cn1 ZINC000069366745 396075679 /nfs/dbraw/zinc/07/56/79/396075679.db2.gz PNTOVLIZZXHPSE-CYBMUJFWSA-N 0 0 320.374 0.194 50 0 DCAARN NC(=O)c1ccc(CN2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000069415373 396078247 /nfs/dbraw/zinc/07/82/47/396078247.db2.gz CZSYPLSMDCHLAP-OAHLLOKOSA-N 0 0 300.362 0.883 50 0 DCAARN C[C@H](C(=O)N1CCCC1)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000069442733 396078640 /nfs/dbraw/zinc/07/86/40/396078640.db2.gz HDQCIPSKGDISKP-NEPJUHHUSA-N 0 0 303.428 0.011 50 0 DCAARN Cc1cc(N(C)C)nc(N2CCN(Cc3nccn3C)CC2)n1 ZINC000069444473 396078764 /nfs/dbraw/zinc/07/87/64/396078764.db2.gz LPEVMXCCHSNEMH-UHFFFAOYSA-N 0 0 315.425 0.907 50 0 DCAARN Cc1nnc2ccc(N3CCN(Cc4nccn4C)CC3)nn12 ZINC000069444187 396078879 /nfs/dbraw/zinc/07/88/79/396078879.db2.gz QBNLUVYZELCDSE-UHFFFAOYSA-N 0 0 312.381 0.488 50 0 DCAARN COc1ccnc(N2CCCN(Cc3noc(C)n3)CC2)n1 ZINC000069625686 396084308 /nfs/dbraw/zinc/08/43/08/396084308.db2.gz VNIRMZGEBHFGDQ-UHFFFAOYSA-N 0 0 304.354 0.889 50 0 DCAARN COCCCNC(=O)[C@H](C)N1CCN(c2cccc(F)n2)CC1 ZINC000069633186 396085428 /nfs/dbraw/zinc/08/54/28/396085428.db2.gz ZZWDDCKYIPIHTB-ZDUSSCGKSA-N 0 0 324.400 0.884 50 0 DCAARN Cc1nccn1CCCNC(=O)N1CC(=O)N(CC2CC2)C1 ZINC000279010146 396146555 /nfs/dbraw/zinc/14/65/55/396146555.db2.gz STGKMPNLWJRUGY-UHFFFAOYSA-N 0 0 305.382 0.803 50 0 DCAARN Cc1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)c(=O)[nH]1 ZINC000075120136 396176908 /nfs/dbraw/zinc/17/69/08/396176908.db2.gz MSXIXUNYUIHWMR-UHFFFAOYSA-N 0 0 320.370 0.887 50 0 DCAARN COc1cc(C(=O)OCCN2CCOCC2)cc(OC)c1O ZINC000075279125 396178667 /nfs/dbraw/zinc/17/86/67/396178667.db2.gz ZHWDCYGVQXDKJT-UHFFFAOYSA-N 0 0 311.334 0.898 50 0 DCAARN Cc1nc(C)n([C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC000075602657 396181722 /nfs/dbraw/zinc/18/17/22/396181722.db2.gz HNOLQPILZQMPCO-LBPRGKRZSA-N 0 0 316.365 0.466 50 0 DCAARN CN(C)[C@@H](CNC(=O)NCCS(C)(=O)=O)c1ccco1 ZINC000076037901 396191985 /nfs/dbraw/zinc/19/19/85/396191985.db2.gz VJOARWXKKICBHQ-JTQLQIEISA-N 0 0 303.384 0.226 50 0 DCAARN Cc1cc(OCC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)no1 ZINC000076045146 396192769 /nfs/dbraw/zinc/19/27/69/396192769.db2.gz KREUVNAFUQNCSG-SNVBAGLBSA-N 0 0 307.310 0.388 50 0 DCAARN Cc1noc(COCC(=O)N2CCC[C@@H]2c2noc(C)n2)n1 ZINC000076043280 396192802 /nfs/dbraw/zinc/19/28/02/396192802.db2.gz KEIKQDQVLMIWGF-SNVBAGLBSA-N 0 0 307.310 0.950 50 0 DCAARN Cc1nnc([C@@H]2CN(C(=O)[C@@H](C)OCC(F)(F)F)CCO2)[nH]1 ZINC000076045550 396193055 /nfs/dbraw/zinc/19/30/55/396193055.db2.gz XRVBHWAAJNRIQK-APPZFPTMSA-N 0 0 322.287 0.980 50 0 DCAARN CCN(CC(C)(C)O)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000076093352 396196579 /nfs/dbraw/zinc/19/65/79/396196579.db2.gz AAWLQNJWEYZKGN-NSHDSACASA-N 0 0 306.428 0.277 50 0 DCAARN COc1cc(OC)c(C(=O)NCCn2cncn2)cc1OC ZINC000263856368 396236973 /nfs/dbraw/zinc/23/69/73/396236973.db2.gz WLAWCQCMYJJJCO-UHFFFAOYSA-N 0 0 306.322 0.734 50 0 DCAARN CCN1CCN(CC(=O)O[C@@H]2CCC[C@H](OC)C2)C(=O)C1=O ZINC000078442303 396245021 /nfs/dbraw/zinc/24/50/21/396245021.db2.gz FUSAQYBSUVPNIX-NWDGAFQWSA-N 0 0 312.366 0.178 50 0 DCAARN CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1N[C@@H]1C[C@H](C)OC1=O ZINC000078897051 396256858 /nfs/dbraw/zinc/25/68/58/396256858.db2.gz ZHRBFGVNZMEBSY-WHOHXGKFSA-N 0 0 304.412 0.340 50 0 DCAARN COc1ccc2nnc(CCCC(=O)Nc3ccn(C)n3)n2n1 ZINC000079488215 396265599 /nfs/dbraw/zinc/26/55/99/396265599.db2.gz GCYJMRUCQODDMZ-UHFFFAOYSA-N 0 0 315.337 0.828 50 0 DCAARN C[C@@H]1CN=C(N2CCN(C[C@H](O)Cn3cccn3)CC2)S1 ZINC000079497136 396265971 /nfs/dbraw/zinc/26/59/71/396265971.db2.gz HDPNWYWAENKUIG-OLZOCXBDSA-N 0 0 309.439 0.353 50 0 DCAARN COc1cc(N2CCN(C(=O)C[C@@H]3CCCO3)CC2)ncn1 ZINC000183830001 396276141 /nfs/dbraw/zinc/27/61/41/396276141.db2.gz SNWMFLGUXPVELH-LBPRGKRZSA-N 0 0 306.366 0.703 50 0 DCAARN O=c1cc(CN2CCOC[C@H](CO)C2)nc2ccc(Cl)cn12 ZINC000077406519 396221150 /nfs/dbraw/zinc/22/11/50/396221150.db2.gz WQYAPDPKEVOISX-NSHDSACASA-N 0 0 323.780 0.789 50 0 DCAARN Cc1c(C(=O)N2CCOC[C@H](O)C2)sc2ncn(C)c(=O)c12 ZINC000077453984 396223188 /nfs/dbraw/zinc/22/31/88/396223188.db2.gz MWGNWSPFTYZMOP-SECBINFHSA-N 0 0 323.374 0.137 50 0 DCAARN O=C(NCc1cccc(N2CCCS2(=O)=O)c1)[C@@H]1CCOC1 ZINC000184004497 396280734 /nfs/dbraw/zinc/28/07/34/396280734.db2.gz ZIRPJROLMBZXRP-CYBMUJFWSA-N 0 0 324.402 0.879 50 0 DCAARN CCc1noc(CN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)n1 ZINC000083830511 396316925 /nfs/dbraw/zinc/31/69/25/396316925.db2.gz NGIMSZKBYFMVPB-CQSZACIVSA-N 0 0 307.354 0.537 50 0 DCAARN O=S(=O)(c1cccnc1)N1CCN(C2CCOCC2)CC1 ZINC000080827279 396287456 /nfs/dbraw/zinc/28/74/56/396287456.db2.gz WMTYKDWYPGGFKK-UHFFFAOYSA-N 0 0 311.407 0.567 50 0 DCAARN COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc[nH]c2)C1 ZINC000190836026 396411893 /nfs/dbraw/zinc/41/18/93/396411893.db2.gz WQHOTZFCQMNXEL-CQSZACIVSA-N 0 0 315.439 0.887 50 0 DCAARN Cc1onc(N)c1S(=O)(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000290833498 396473502 /nfs/dbraw/zinc/47/35/02/396473502.db2.gz USNXTEXURRXMBC-NXEZZACHSA-N 0 0 303.384 0.905 50 0 DCAARN Cc1nc(NC(=O)c2cccnc2N2CCOCC2)nn1C ZINC000293661463 396624521 /nfs/dbraw/zinc/62/45/21/396624521.db2.gz JJXPGBJWEXHUID-UHFFFAOYSA-N 0 0 302.338 0.607 50 0 DCAARN Cc1nn(CCC(=O)NCCc2nc(N)cc(=O)[nH]2)c(C)c1C ZINC000584889268 396633196 /nfs/dbraw/zinc/63/31/96/396633196.db2.gz USEGURSYHDGPND-UHFFFAOYSA-N 0 0 318.381 0.635 50 0 DCAARN Cc1cc(C)n2c(nnc2C(=O)N[C@@H]2CCc3c[nH]nc3C2)n1 ZINC000584897030 396635744 /nfs/dbraw/zinc/63/57/44/396635744.db2.gz QMYCYCNVPKFUDD-LLVKDONJSA-N 0 0 311.349 0.752 50 0 DCAARN COc1ccnc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)c1 ZINC000584900727 396636517 /nfs/dbraw/zinc/63/65/17/396636517.db2.gz IUWNUUNGJDPSCK-UHFFFAOYSA-N 0 0 302.338 0.166 50 0 DCAARN Cc1cc(=O)n(CC(=O)N(C)Cc2noc(C3CC3)n2)nc1C ZINC000584901493 396637017 /nfs/dbraw/zinc/63/70/17/396637017.db2.gz FAUKMTFEIUJDAP-UHFFFAOYSA-N 0 0 317.349 0.779 50 0 DCAARN COC(=O)N1CCN(Cc2nc(Br)nn2C)CC1 ZINC000585136750 396641393 /nfs/dbraw/zinc/64/13/93/396641393.db2.gz RGCFOVYAJHXEQK-UHFFFAOYSA-N 0 0 318.175 0.462 50 0 DCAARN COCCOCCOCCCNC(=O)N[C@@H](C)C1(CO)CC1 ZINC000585137202 396641564 /nfs/dbraw/zinc/64/15/64/396641564.db2.gz LXRSVUISHBGOLS-ZDUSSCGKSA-N 0 0 318.414 0.516 50 0 DCAARN NC(=O)c1cscc1NC(=O)CCn1ccc(=O)[nH]c1=O ZINC000618256471 396942294 /nfs/dbraw/zinc/94/22/94/396942294.db2.gz JBKCIKSHCRWUTK-UHFFFAOYSA-N 0 0 308.319 0.138 50 0 DCAARN CCc1ncnc(O[C@H]2CCN(C(=O)Cn3cncn3)C2)c1F ZINC000390827872 397303185 /nfs/dbraw/zinc/30/31/85/397303185.db2.gz LJJDBUUJXVKIGN-JTQLQIEISA-N 0 0 320.328 0.450 50 0 DCAARN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H](O)CN2C(C)=O)C12CCC2 ZINC000242178802 286244027 /nfs/dbraw/zinc/24/40/27/286244027.db2.gz XAZJDDREWRZWOO-GBJTYRQASA-N 0 0 324.421 0.774 50 0 DCAARN COc1ccc(N2C(=O)CS[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000005010687 286323750 /nfs/dbraw/zinc/32/37/50/286323750.db2.gz HQLDWLJJXXBRRN-VXGBXAGGSA-N 0 0 313.400 0.941 50 0 DCAARN COCCC(=O)N1CCC[C@]2(CCC(=O)N(CCOC)C2)C1 ZINC000091650221 292271227 /nfs/dbraw/zinc/27/12/27/292271227.db2.gz GRXJKIFPQDJLOE-INIZCTEOSA-N 0 0 312.410 0.901 50 0 DCAARN COc1ccc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cn1 ZINC000024604666 286333716 /nfs/dbraw/zinc/33/37/16/286333716.db2.gz PNNNFMSZVSCKOK-NSHDSACASA-N 0 0 313.379 0.843 50 0 DCAARN Cc1cc(C)n(CCCNC(=O)c2ccc(C(N)=O)cn2)n1 ZINC000132373702 158310137 /nfs/dbraw/zinc/31/01/37/158310137.db2.gz ODJORUKSABSQND-UHFFFAOYSA-N 0 0 301.350 0.814 50 0 DCAARN CC(C)(CCCO)CNS(=O)(=O)c1cnn2c1OCCC2 ZINC000331246373 159206722 /nfs/dbraw/zinc/20/67/22/159206722.db2.gz UJLHKUCLHGSJGJ-UHFFFAOYSA-N 0 0 317.411 0.743 50 0 DCAARN NS(=O)(=O)C1CCN(c2ccc(C(F)(F)F)nn2)CC1 ZINC000408058273 160025978 /nfs/dbraw/zinc/02/59/78/160025978.db2.gz ILWCQPQUAGPKRT-UHFFFAOYSA-N 0 0 310.301 0.753 50 0 DCAARN C[C@@H]1CN(C(=O)CN2CCOCC2=O)[C@H](c2ccccc2)CO1 ZINC000240465911 296811759 /nfs/dbraw/zinc/81/17/59/296811759.db2.gz GBIJGQLZRPBAEB-HIFRSBDPSA-N 0 0 318.373 0.834 50 0 DCAARN C[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@@H]1N1CCOCC1 ZINC000076052487 286919175 /nfs/dbraw/zinc/91/91/75/286919175.db2.gz GLBXSURCQBMNLL-ILXRZTDVSA-N 0 0 312.410 0.361 50 0 DCAARN C[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)NC(N)=O ZINC000002628542 287125112 /nfs/dbraw/zinc/12/51/12/287125112.db2.gz FIXOBMFZMYOWTK-SSDOTTSWSA-N 0 0 306.351 0.553 50 0 DCAARN COc1ccccc1CN1C(=S)N[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000013630002 415150590 /nfs/dbraw/zinc/15/05/90/415150590.db2.gz HKQLWJGHFWQCBO-GHMZBOCLSA-N 0 0 312.416 0.551 50 0 DCAARN CN(Cc1c(F)cccc1Cl)C(=O)CN1CCNC(=O)C1 ZINC000016389007 415155795 /nfs/dbraw/zinc/15/57/95/415155795.db2.gz YHAVAYGFLAYMJI-UHFFFAOYSA-N 0 0 313.760 0.869 50 0 DCAARN C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CCC(N)=O)C1=O ZINC000024099862 415157832 /nfs/dbraw/zinc/15/78/32/415157832.db2.gz AATUHJRCOWGPID-OAHLLOKOSA-N 0 0 319.317 0.144 50 0 DCAARN O=C(CN1CCCCCC1=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000023584419 415158646 /nfs/dbraw/zinc/15/86/46/415158646.db2.gz GMWYVTQLWJXFPH-OAHLLOKOSA-N 0 0 323.437 0.712 50 0 DCAARN O=C(CN1CCCCCC1=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000023584415 415159414 /nfs/dbraw/zinc/15/94/14/415159414.db2.gz GMWYVTQLWJXFPH-HNNXBMFYSA-N 0 0 323.437 0.712 50 0 DCAARN CCCC1N=NC(=S)N1CC(=O)N(C)Cc1cnn(C)c1 ZINC000025048219 415159433 /nfs/dbraw/zinc/15/94/33/415159433.db2.gz NYFHSSWPTMDNFN-UHFFFAOYSA-N 0 0 308.411 0.911 50 0 DCAARN C[C@H](NC(N)=O)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000025397785 415163330 /nfs/dbraw/zinc/16/33/30/415163330.db2.gz JYRRMIJWSRVUMC-ZDUSSCGKSA-N 0 0 320.393 0.266 50 0 DCAARN CCOC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000001063437 415125989 /nfs/dbraw/zinc/12/59/89/415125989.db2.gz ALNNNZJVXPGRQY-UHFFFAOYSA-N 0 0 302.338 0.941 50 0 DCAARN CO[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)O[C@@H](C)[C@H]1OC(C)=O ZINC000005677013 415133168 /nfs/dbraw/zinc/13/31/68/415133168.db2.gz PYFNMYOLTSCFQY-MNFKIPLOSA-N 0 0 304.295 0.173 50 0 DCAARN O=S1(=O)C[C@H]2NC(=S)N(c3ccc4c(c3)OCO4)[C@@H]2C1 ZINC000006670334 415134870 /nfs/dbraw/zinc/13/48/70/415134870.db2.gz QSAICIIZNHTYKH-RKDXNWHRSA-N 0 0 312.372 0.275 50 0 DCAARN CCOc1ccc(OCCC(=O)O[C@@H](C)C(=O)NC(N)=O)cc1 ZINC000007780385 415139619 /nfs/dbraw/zinc/13/96/19/415139619.db2.gz BSTIJTNSSVHHLZ-JTQLQIEISA-N 0 0 324.333 0.981 50 0 DCAARN CCCc1noc([C@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000027775814 415173424 /nfs/dbraw/zinc/17/34/24/415173424.db2.gz RTDVYUDDHCVUJL-QMMMGPOBSA-N 0 0 318.337 0.379 50 0 DCAARN COCCN(Cc1ccccc1)S(=O)(=O)N1CCOCC1 ZINC000044896135 415232673 /nfs/dbraw/zinc/23/26/73/415232673.db2.gz PBLRPAFKNJIDTQ-UHFFFAOYSA-N 0 0 314.407 0.712 50 0 DCAARN C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)n1cncn1 ZINC000044908772 415232682 /nfs/dbraw/zinc/23/26/82/415232682.db2.gz OUVUIJSOUGPYRH-NSHDSACASA-N 0 0 302.334 0.969 50 0 DCAARN O=C(NCc1cccnc1OCC(F)(F)F)[C@H]1CCC(=O)N1 ZINC000044934186 415234210 /nfs/dbraw/zinc/23/42/10/415234210.db2.gz QWAGVWGVHBPENI-SECBINFHSA-N 0 0 317.267 0.918 50 0 DCAARN CC[C@H](CO)NC(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000044946619 415235055 /nfs/dbraw/zinc/23/50/55/415235055.db2.gz JJPMOYQIHKVNBD-CQSZACIVSA-N 0 0 303.366 0.897 50 0 DCAARN Cc1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1C(N)=O ZINC000044935922 415235327 /nfs/dbraw/zinc/23/53/27/415235327.db2.gz XXDHJKZXFKYCHH-NSHDSACASA-N 0 0 322.390 0.657 50 0 DCAARN CCCn1nnnc1CN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000044950537 415240468 /nfs/dbraw/zinc/24/04/68/415240468.db2.gz ZZLVNEZOIDVZTP-CYBMUJFWSA-N 0 0 306.414 0.821 50 0 DCAARN C[C@H](C(=O)N1CCN(Cc2ccccn2)CC1)n1cncn1 ZINC000045221499 415241730 /nfs/dbraw/zinc/24/17/30/415241730.db2.gz GDCSNBDIPHNZFK-CYBMUJFWSA-N 0 0 300.366 0.579 50 0 DCAARN COCC(=O)Nc1cc(-n2cnnn2)ccc1N1CCCC1 ZINC000045961369 415253987 /nfs/dbraw/zinc/25/39/87/415253987.db2.gz LNOLWYQHUAZFEF-UHFFFAOYSA-N 0 0 302.338 0.847 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000046942132 415263238 /nfs/dbraw/zinc/26/32/38/415263238.db2.gz WJIRPQBDOGGAKM-SNVBAGLBSA-N 0 0 321.333 0.311 50 0 DCAARN Cc1ccc(CN(C(=O)Cn2ccc(=O)[nH]c2=O)C(C)C)o1 ZINC000047424262 415271171 /nfs/dbraw/zinc/27/11/71/415271171.db2.gz RPSKULVFAABOIO-UHFFFAOYSA-N 0 0 305.334 0.875 50 0 DCAARN Cc1cc(NC(=O)CN(C)CC(N)=O)n(-c2ccccc2)n1 ZINC000047628767 415273196 /nfs/dbraw/zinc/27/31/96/415273196.db2.gz IBFVCIYHIMCKHR-UHFFFAOYSA-N 0 0 301.350 0.536 50 0 DCAARN NC(=O)C1CCN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CC1 ZINC000047932535 415277357 /nfs/dbraw/zinc/27/73/57/415277357.db2.gz FLONIFBBNPZVBA-AWEZNQCLSA-N 0 0 301.346 0.904 50 0 DCAARN Cc1cccc(CS(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)c1 ZINC000044456981 415221214 /nfs/dbraw/zinc/22/12/14/415221214.db2.gz OPTHAEBCKBADDJ-CYBMUJFWSA-N 0 0 317.432 0.849 50 0 DCAARN Cc1cc([C@H]2CCCN2C(=O)CC[C@@H]2NC(=O)NC2=O)no1 ZINC000044710411 415225571 /nfs/dbraw/zinc/22/55/71/415225571.db2.gz WJVUKYXUBQDVOY-GXSJLCMTSA-N 0 0 306.322 0.635 50 0 DCAARN CCN1C(=O)C[C@H](Nc2ccc3c(c2)NC(=O)[C@H](C)O3)C1=O ZINC000044828172 415226311 /nfs/dbraw/zinc/22/63/11/415226311.db2.gz OWQIAKCWXCXJNP-KWQFWETISA-N 0 0 303.318 0.965 50 0 DCAARN CCC(=O)c1ccc(OC[C@@H](O)CN2C(=O)CN(C)C2=O)cc1 ZINC000044871043 415229586 /nfs/dbraw/zinc/22/95/86/415229586.db2.gz KXIPDUZAQUOXMZ-LBPRGKRZSA-N 0 0 320.345 0.913 50 0 DCAARN NS(=O)(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000044895669 415230595 /nfs/dbraw/zinc/23/05/95/415230595.db2.gz ROUCRKPUVNTWPC-UHFFFAOYSA-N 0 0 307.778 0.800 50 0 DCAARN C[C@@H](Cc1ccco1)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000044912972 415230665 /nfs/dbraw/zinc/23/06/65/415230665.db2.gz KACMPWGZGLOGFX-NWDGAFQWSA-N 0 0 314.407 0.998 50 0 DCAARN Cc1cc(=O)n2nc(NCC(=O)NCc3ccco3)sc2n1 ZINC000044897122 415231499 /nfs/dbraw/zinc/23/14/99/415231499.db2.gz DTLOOYJSUJDUNN-UHFFFAOYSA-N 0 0 319.346 0.781 50 0 DCAARN CC(C)CN(CC(N)=O)CC(=O)Nc1sccc1C(N)=O ZINC000044898658 415232053 /nfs/dbraw/zinc/23/20/53/415232053.db2.gz NYGDNTUDLFUXSR-UHFFFAOYSA-N 0 0 312.395 0.229 50 0 DCAARN CN(C)C(=O)Cn1cc(NC(=O)[C@H]2Cc3ccccc3O2)cn1 ZINC000066384516 415355098 /nfs/dbraw/zinc/35/50/98/415355098.db2.gz VQNXZNZUNAAOCU-CQSZACIVSA-N 0 0 314.345 0.914 50 0 DCAARN NC(=O)NC[C@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 ZINC000048287352 415285816 /nfs/dbraw/zinc/28/58/16/415285816.db2.gz NTFYPZLVLLWUJK-SNVBAGLBSA-N 0 0 321.406 0.636 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000048286351 415287654 /nfs/dbraw/zinc/28/76/54/415287654.db2.gz QZFRALRSLUQXMT-DDTOSNHZSA-N 0 0 324.402 0.379 50 0 DCAARN O=C(NCc1cc[nH]n1)NC1CCN(c2ncccn2)CC1 ZINC000048230116 415288312 /nfs/dbraw/zinc/28/83/12/415288312.db2.gz CDZFLBNBENFZBY-UHFFFAOYSA-N 0 0 301.354 0.668 50 0 DCAARN NC(=O)C1CCN(C(=O)CS(=O)(=O)c2ccccc2)CC1 ZINC000048274019 415288374 /nfs/dbraw/zinc/28/83/74/415288374.db2.gz VRHHIWLZZDSXOZ-UHFFFAOYSA-N 0 0 310.375 0.184 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)CCNCc2ccccn2)C[C@H](C)O1 ZINC000048783551 415300872 /nfs/dbraw/zinc/30/08/72/415300872.db2.gz JNEDAPCZSZVOSQ-BETUJISGSA-N 0 0 313.423 0.610 50 0 DCAARN CCNC(=O)CN1CCCN(C(=O)c2cncc(F)c2)CC1 ZINC000332238750 415307828 /nfs/dbraw/zinc/30/78/28/415307828.db2.gz SWFFKZJATGWRJI-UHFFFAOYSA-N 0 0 308.357 0.505 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@@](C)(O)C2)C1 ZINC000332424544 415391642 /nfs/dbraw/zinc/39/16/42/415391642.db2.gz DUVUUWCBKWIAFM-GMXVVIOVSA-N 0 0 304.412 0.078 50 0 DCAARN O=C([C@H]1COCCO1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000071821280 415411755 /nfs/dbraw/zinc/41/17/55/415411755.db2.gz YHZOAKPEPATMTQ-ZIAGYGMSSA-N 0 0 304.346 0.492 50 0 DCAARN CC(=O)N1CCC2(C[C@@H](C(=O)[O-])[N@H+](Cc3ncc[nH]3)C2)CC1 ZINC000072426572 415413532 /nfs/dbraw/zinc/41/35/32/415413532.db2.gz RAQCQHJIFOCROI-LBPRGKRZSA-N 0 0 306.366 0.697 50 0 DCAARN CCN(C(=O)CN1CCCC[C@@H]1C(=O)N1CCOCC1)C1CC1 ZINC000066892446 415367512 /nfs/dbraw/zinc/36/75/12/415367512.db2.gz QONLPVIPCAZOGU-OAHLLOKOSA-N 0 0 323.437 0.711 50 0 DCAARN Cc1nn(CCNC(=O)CN2CCOC2=O)c(C)c1Cl ZINC000067833322 415385688 /nfs/dbraw/zinc/38/56/88/415385688.db2.gz OMAWSNNYALRWCI-UHFFFAOYSA-N 0 0 300.746 0.722 50 0 DCAARN COCCn1ccc(NC(=O)C(=O)NC[C@@H]2CC=CCC2)n1 ZINC000075105773 415432937 /nfs/dbraw/zinc/43/29/37/415432937.db2.gz YOKJRQVUHZRYIS-GFCCVEGCSA-N 0 0 306.366 0.941 50 0 DCAARN CCCOC(=O)CCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000075134056 415438109 /nfs/dbraw/zinc/43/81/09/415438109.db2.gz VUIRIMFCUVDHPO-UHFFFAOYSA-N 0 0 303.318 0.996 50 0 DCAARN Cc1[nH+]c(N)nc(N[C@@H](C)Cn2cncn2)c1CCC(=O)[O-] ZINC000095364113 415555404 /nfs/dbraw/zinc/55/54/04/415555404.db2.gz FVACBDILTAHVMD-QMMMGPOBSA-N 0 0 305.342 0.477 50 0 DCAARN CC(C)(C)n1ncc2c1ncnc2N1CCn2c(n[nH]c2=O)C1 ZINC000095941803 415564739 /nfs/dbraw/zinc/56/47/39/415564739.db2.gz UJQMJJUCODWITQ-UHFFFAOYSA-N 0 0 314.353 0.486 50 0 DCAARN COc1nc(C)cc(C)c1-c1noc(Cn2ncn(C)c2=O)n1 ZINC000096004392 415568417 /nfs/dbraw/zinc/56/84/17/415568417.db2.gz VSLYGDRGXDSQEV-UHFFFAOYSA-N 0 0 316.321 0.701 50 0 DCAARN CS(=O)(=O)C[C@@H](NCC(=O)N1CCCC1)c1ccccc1 ZINC000097033673 415581032 /nfs/dbraw/zinc/58/10/32/415581032.db2.gz FHGGVCBOXLUXGR-CQSZACIVSA-N 0 0 310.419 0.984 50 0 DCAARN O=S(=O)(c1cccnc1)N1CCS[C@H]2COCC[C@@H]21 ZINC000134675677 415958560 /nfs/dbraw/zinc/95/85/60/415958560.db2.gz SSOHABSUVWXQKN-RYUDHWBXSA-N 0 0 300.405 0.977 50 0 DCAARN C[C@H](Cn1cncn1)NC(=O)Nc1ccc2c(c1)nnn2C ZINC000299761870 416064786 /nfs/dbraw/zinc/06/47/86/416064786.db2.gz ZNPICXSTOGCYHD-SECBINFHSA-N 0 0 300.326 0.770 50 0 DCAARN Cc1nc(SCCNC(=O)CN2CCCCCC2=O)n[nH]1 ZINC000299774939 416065452 /nfs/dbraw/zinc/06/54/52/416065452.db2.gz JYARQLGOCGZIPI-UHFFFAOYSA-N 0 0 311.411 0.724 50 0 DCAARN CCO[C@H]1COC[C@@H]1NC(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC000299765144 416065948 /nfs/dbraw/zinc/06/59/48/416065948.db2.gz WZDAMAZXJMHXIZ-FZMZJTMJSA-N 0 0 320.345 0.576 50 0 DCAARN Cc1cc(=O)[nH]c(NCCNC(=O)CN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000299767533 416066442 /nfs/dbraw/zinc/06/64/42/416066442.db2.gz LPQLNZWZMADUNS-TXEJJXNPSA-N 0 0 323.397 0.128 50 0 DCAARN Cc1nc(C)c(CC(=O)NCCc2nncn2C(C)C)c(=O)[nH]1 ZINC000299778372 416066649 /nfs/dbraw/zinc/06/66/49/416066649.db2.gz GEDFFLVQVTZNKW-UHFFFAOYSA-N 0 0 318.381 0.873 50 0 DCAARN Cc1cc2c(cn1)CN(C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C2 ZINC000299779259 416067704 /nfs/dbraw/zinc/06/77/04/416067704.db2.gz QOFGRUXFOMTMJE-AWEZNQCLSA-N 0 0 323.418 0.351 50 0 DCAARN Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)CNC(N)=O)n1 ZINC000299787501 416069247 /nfs/dbraw/zinc/06/92/47/416069247.db2.gz OKXPIAGMIZXXQG-SSDOTTSWSA-N 0 0 321.303 0.631 50 0 DCAARN C[C@H](NC(=O)CCn1cnnn1)c1nncn1C1CCCC1 ZINC000299786003 416069778 /nfs/dbraw/zinc/06/97/78/416069778.db2.gz PHHOXXLZAFSEJY-JTQLQIEISA-N 0 0 304.358 0.647 50 0 DCAARN CCc1nccn1CC(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299789185 416069784 /nfs/dbraw/zinc/06/97/84/416069784.db2.gz SSWQEKIMATWBJM-STQMWFEESA-N 0 0 316.365 0.409 50 0 DCAARN CN(Cc1ccoc1)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000299802458 416071041 /nfs/dbraw/zinc/07/10/41/416071041.db2.gz WROUJBMDSWPHDK-GFCCVEGCSA-N 0 0 300.380 0.357 50 0 DCAARN C[C@@H](NC(=O)CN1CCCC1=O)c1nc(-c2ccncc2)no1 ZINC000299800563 416071702 /nfs/dbraw/zinc/07/17/02/416071702.db2.gz WTDYQMATCXGZTP-SNVBAGLBSA-N 0 0 315.333 0.931 50 0 DCAARN COc1cccc([C@H](C)NC(=O)CC[C@@H]2NC(=O)NC2=O)c1 ZINC000298384687 416006447 /nfs/dbraw/zinc/00/64/47/416006447.db2.gz MMSAFJPFPREOAC-CABZTGNLSA-N 0 0 305.334 0.861 50 0 DCAARN CC(C)NC(=O)CN1CCN(c2nccnc2N(C)C)CC1 ZINC000170596706 416028011 /nfs/dbraw/zinc/02/80/11/416028011.db2.gz YNSDVDMBNXCPSW-UHFFFAOYSA-N 0 0 306.414 0.189 50 0 DCAARN CO[C@@H]1C[C@H]2C(=O)N([C@H]3CC(=O)N(C(C)(C)C)C3)C(=O)N2C1 ZINC000253432518 416334779 /nfs/dbraw/zinc/33/47/79/416334779.db2.gz KWADENYROKUUKK-AXFHLTTASA-N 0 0 309.366 0.437 50 0 DCAARN O=C(NCc1cnn2cccnc12)c1nnc2n1CCCCC2 ZINC000215569232 416326914 /nfs/dbraw/zinc/32/69/14/416326914.db2.gz NOIBTIIJNWUIDH-UHFFFAOYSA-N 0 0 311.349 0.977 50 0 DCAARN Cc1nn(CC(=O)N2Cc3cnn(CCO)c3C2)c(C)c1C ZINC000215260928 416327006 /nfs/dbraw/zinc/32/70/06/416327006.db2.gz JDELUECVLSYRLQ-UHFFFAOYSA-N 0 0 303.366 0.540 50 0 DCAARN O=C(NCc1nc(-c2cnccn2)n[nH]1)c1ccc2n[nH]nc2c1 ZINC000215158632 416327157 /nfs/dbraw/zinc/32/71/57/416327157.db2.gz CWPYVLBILBRVFL-UHFFFAOYSA-N 0 0 321.304 0.463 50 0 DCAARN O=C(Cn1nc2ccccc2n1)N1CCC(n2cnnc2)CC1 ZINC000215676299 416327267 /nfs/dbraw/zinc/32/72/67/416327267.db2.gz UGHQLASAEJSAIE-UHFFFAOYSA-N 0 0 311.349 0.887 50 0 DCAARN Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2c[nH]nc2C(=O)[O-])CC1 ZINC000215660366 416327277 /nfs/dbraw/zinc/32/72/77/416327277.db2.gz HIYULIJJTJWGEE-ZDUSSCGKSA-N 0 0 319.365 0.787 50 0 DCAARN COC[C@H]1CCCCN1C(=O)c1cccc(S(N)(=O)=O)c1 ZINC000216183239 416327499 /nfs/dbraw/zinc/32/74/99/416327499.db2.gz WOEVVRHUJCVPQX-GFCCVEGCSA-N 0 0 312.391 0.975 50 0 DCAARN CC(C)(C)CN1CCC[C@@H](Nc2cnn(CC(N)=O)c2)C1=O ZINC000241126052 416329914 /nfs/dbraw/zinc/32/99/14/416329914.db2.gz JJDRRJREOMUOHV-GFCCVEGCSA-N 0 0 307.398 0.817 50 0 DCAARN O=C(N[C@H]1CC[C@H](Oc2ncccn2)CC1)N1CCNC1=O ZINC000240068135 416330116 /nfs/dbraw/zinc/33/01/16/416330116.db2.gz SJKZRRYGTGIUAL-XYPYZODXSA-N 0 0 305.338 0.901 50 0 DCAARN Cn1nncc1C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000240886249 416330139 /nfs/dbraw/zinc/33/01/39/416330139.db2.gz IOEKAHXDYKJANN-NSHDSACASA-N 0 0 317.324 0.880 50 0 DCAARN COc1cncc([C@@H](NC(=O)Cn2ccnc2)[C@H]2C[C@@H](O)C2)c1 ZINC000244708119 416330666 /nfs/dbraw/zinc/33/06/66/416330666.db2.gz KNSZFDOJURKXLH-GHJWDPDVSA-N 0 0 316.361 0.915 50 0 DCAARN O=C1NCCN(CCCn2cnnn2)[C@@H]1c1cccc(F)c1 ZINC000244715916 416330702 /nfs/dbraw/zinc/33/07/02/416330702.db2.gz LEPINYMULPTCBK-CYBMUJFWSA-N 0 0 304.329 0.375 50 0 DCAARN CCOc1ccccc1OCCN1CCNC(=O)[C@H]1CCO ZINC000244678736 416330798 /nfs/dbraw/zinc/33/07/98/416330798.db2.gz IIZBXNCEDCHSES-CYBMUJFWSA-N 0 0 308.378 0.647 50 0 DCAARN O=C(COC[C@@H]1CCCCO1)N1CCc2[nH][nH]c(=O)c2CC1 ZINC000244659701 416330877 /nfs/dbraw/zinc/33/08/77/416330877.db2.gz HHKHMUBLRRZTMK-NSHDSACASA-N 0 0 309.366 0.216 50 0 DCAARN CC(C)(C)OC(=O)N1[C@H](CN2CCNC(=O)C2)COC1(C)C ZINC000583651093 416480230 /nfs/dbraw/zinc/48/02/30/416480230.db2.gz HIEHEAATZZRNPV-LLVKDONJSA-N 0 0 313.398 0.790 50 0 DCAARN Nc1n[nH]c(CCNC(=O)N(CCO)Cc2ccc(F)cc2)n1 ZINC000534640962 416506158 /nfs/dbraw/zinc/50/61/58/416506158.db2.gz WGCTXQPRFNFOEZ-UHFFFAOYSA-N 0 0 322.344 0.273 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2[C@@H](C)O)C1 ZINC000585113758 416517273 /nfs/dbraw/zinc/51/72/73/416517273.db2.gz GCQBJJOPOAZIKS-FRRDWIJNSA-N 0 0 318.439 0.420 50 0 DCAARN COC(=O)c1cccc(OC)c1CN1CCO[C@H](C(N)=O)C1 ZINC000585116773 416517765 /nfs/dbraw/zinc/51/77/65/416517765.db2.gz HYOTWUALGRHOMQ-ZDUSSCGKSA-N 0 0 308.334 0.168 50 0 DCAARN COCC(COC)S(=O)(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000585115790 416518902 /nfs/dbraw/zinc/51/89/02/416518902.db2.gz SRNFCCPJMVMEEC-VIFPVBQESA-N 0 0 320.411 0.803 50 0 DCAARN CC(C)(C)c1noc(-c2nc(N)nc(N3CCOCC3)n2)n1 ZINC000585133381 416519369 /nfs/dbraw/zinc/51/93/69/416519369.db2.gz GRCFAOGSIAGVLW-UHFFFAOYSA-N 0 0 305.342 0.638 50 0 DCAARN COCCN1CCN(c2cc([C@@H]3CCOC3)nc(N)n2)CC1 ZINC000426551396 416773856 /nfs/dbraw/zinc/77/38/56/416773856.db2.gz XFQDEXWNWRITMN-GFCCVEGCSA-N 0 0 307.398 0.331 50 0 DCAARN CCn1ncc(CNC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)n1 ZINC000527814915 417278030 /nfs/dbraw/zinc/27/80/30/417278030.db2.gz ZCFNKGDCBVJKPV-CKYFFXLPSA-N 0 0 306.370 0.107 50 0 DCAARN CCCNC(=O)N1CCC(CCOC)(NS(C)(=O)=O)CC1 ZINC000575545918 417538661 /nfs/dbraw/zinc/53/86/61/417538661.db2.gz NLKWNRAMXTWNLJ-UHFFFAOYSA-N 0 0 321.443 0.526 50 0 DCAARN CCOCC(=O)N1CC(n2cc(COc3ccncc3)nn2)C1 ZINC000575553296 417539889 /nfs/dbraw/zinc/53/98/89/417539889.db2.gz XLTJPGCWTCEGJO-UHFFFAOYSA-N 0 0 317.349 0.672 50 0 DCAARN O=C(Cn1ncccc1=O)NCc1cn(-c2cccs2)nn1 ZINC000575617211 417540864 /nfs/dbraw/zinc/54/08/64/417540864.db2.gz RAPVOOZZIQXGMR-UHFFFAOYSA-N 0 0 316.346 0.202 50 0 DCAARN COc1ccc(CC(=O)N2CC(CN3C(=O)COC3=O)C2)cc1 ZINC000575617547 417541479 /nfs/dbraw/zinc/54/14/79/417541479.db2.gz WYOHKTMETCFQMC-UHFFFAOYSA-N 0 0 318.329 0.675 50 0 DCAARN O=C(CN1C(=O)CCC1=O)NC[C@@H](c1ccco1)n1cccn1 ZINC000575612511 417541788 /nfs/dbraw/zinc/54/17/88/417541788.db2.gz ASNXMSPAXHFCSL-NSHDSACASA-N 0 0 316.317 0.331 50 0 DCAARN Cn1cccc(C(=O)NC[C@H](OCCO)c2cccs2)c1=O ZINC000575607756 417541863 /nfs/dbraw/zinc/54/18/63/417541863.db2.gz JMUGJHGUOPGGHR-LBPRGKRZSA-N 0 0 322.386 0.927 50 0 DCAARN Cc1ccc(CNC(=O)[C@@H]2CCN(c3cnn(C)c(=O)c3)C2)o1 ZINC000575314836 417526828 /nfs/dbraw/zinc/52/68/28/417526828.db2.gz RWUDRIDXHUMPAI-GFCCVEGCSA-N 0 0 316.361 0.824 50 0 DCAARN Cc1cc(C)n(CCN(C)C(=O)NCCc2nc(N)n[nH]2)n1 ZINC000534663483 418976553 /nfs/dbraw/zinc/97/65/53/418976553.db2.gz YRIKXOQRVVPXIO-UHFFFAOYSA-N 0 0 306.374 0.084 50 0 DCAARN O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)C1(CO)CC1 ZINC000218822804 545940775 /nfs/dbraw/zinc/94/07/75/545940775.db2.gz GUJHZPHNMMNAAA-ZIAGYGMSSA-N 0 0 306.362 0.644 50 0 DCAARN O=C(c1cc(=O)[n-]o1)N1CCN(c2cc[nH+]cc2)C[C@@H](O)C1 ZINC000097694660 304502960 /nfs/dbraw/zinc/50/29/60/304502960.db2.gz CXPURFCOTIKJTJ-LLVKDONJSA-N 0 0 304.306 0.099 50 0 DCAARN CNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 ZINC000420746146 262384539 /nfs/dbraw/zinc/38/45/39/262384539.db2.gz YPZHRXGJCUMIRX-NSHDSACASA-N 0 0 312.391 0.760 50 0 DCAARN CC(C)[C@@H](C(=O)N1CCn2nccc21)N1CCCS1(=O)=O ZINC000375544197 277719229 /nfs/dbraw/zinc/71/92/29/277719229.db2.gz VAVGSZDBZPRCME-LBPRGKRZSA-N 0 0 312.395 0.290 50 0 DCAARN COc1ccccc1N1CCn2c1nc1c2c(=O)[nH]c(=O)n1C ZINC000013540530 278056308 /nfs/dbraw/zinc/05/63/08/278056308.db2.gz BUXNESRYCAXLKZ-UHFFFAOYSA-N 0 0 313.317 0.584 50 0 DCAARN CC(=O)NCCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000054795908 278115942 /nfs/dbraw/zinc/11/59/42/278115942.db2.gz YKRBWWCFPXXCNB-FZMZJTMJSA-N 0 0 316.423 0.437 50 0 DCAARN CC(=O)N[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000040489383 278153369 /nfs/dbraw/zinc/15/33/69/278153369.db2.gz DMDYTMFVDYDKHD-OLZOCXBDSA-N 0 0 316.423 0.327 50 0 DCAARN CC(=O)c1ccc(N2CCO[C@H](C)[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000296445115 278247407 /nfs/dbraw/zinc/24/74/07/278247407.db2.gz ZUFZSAUZIWBKFY-RNCFNFMXSA-N 0 0 307.306 0.876 50 0 DCAARN C[C@H]1C(=O)NCCN1c1nc(N(C)C)cc(C(F)(F)F)n1 ZINC000096453861 278320413 /nfs/dbraw/zinc/32/04/13/278320413.db2.gz WOZPCIGOLCWWKR-ZETCQYMHSA-N 0 0 303.288 0.886 50 0 DCAARN CC1=NO[C@](C)(C(=O)N2CCc3nc(C)n(C)c(=O)c3CC2)C1 ZINC000065372076 278512218 /nfs/dbraw/zinc/51/22/18/278512218.db2.gz DYDPIZPFWFZYRY-INIZCTEOSA-N 0 0 318.377 0.571 50 0 DCAARN C[C@H]1c2ccc(F)cc2CCN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000089941502 278544856 /nfs/dbraw/zinc/54/48/56/278544856.db2.gz LJFKXMVPHFZMOA-ZETCQYMHSA-N 0 0 318.308 0.956 50 0 DCAARN CC[C@H](NS(C)(=O)=O)c1ccccc1OCC(=O)NC ZINC000048672433 288057056 /nfs/dbraw/zinc/05/70/56/288057056.db2.gz OIMOBZXWKZWQSL-NSHDSACASA-N 0 0 300.380 0.812 50 0 DCAARN C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@H]1Cc2cccc(F)c2O1 ZINC000237131375 289134605 /nfs/dbraw/zinc/13/46/05/289134605.db2.gz UPOOBIGBDTUQHA-GFCCVEGCSA-N 0 0 310.325 0.604 50 0 DCAARN CN1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000072238000 290028492 /nfs/dbraw/zinc/02/84/92/290028492.db2.gz FBZJHPOYFFZLAQ-CVEARBPZSA-N 0 0 317.389 0.359 50 0 DCAARN CN1CCN(C(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)CC1 ZINC000049548899 290030019 /nfs/dbraw/zinc/03/00/19/290030019.db2.gz HEIPNGLPQUPQLQ-UHFFFAOYSA-N 0 0 317.389 0.918 50 0 DCAARN C[NH+]1CCN(c2ccc(N3CCC[C@@H](C(=O)[O-])C3)nn2)CC1 ZINC000032918891 290058176 /nfs/dbraw/zinc/05/81/76/290058176.db2.gz ZBFFJMBFCYICDH-GFCCVEGCSA-N 0 0 305.382 0.529 50 0 DCAARN Cc1sc2[nH]c(-c3cn(C)c(=O)[nH]c3=O)nc(=O)c2c1C ZINC000103566082 294079495 /nfs/dbraw/zinc/07/94/95/294079495.db2.gz VAOIUEHXMGNNAU-UHFFFAOYSA-N 0 0 304.331 0.655 50 0 DCAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CCCN3C1CCCC1 ZINC000000385804 294193008 /nfs/dbraw/zinc/19/30/08/294193008.db2.gz NARMXGYEFNCBFB-UHFFFAOYSA-N 0 0 303.366 0.586 50 0 DCAARN NC(=O)CN1CCC(NC(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000044366826 295045805 /nfs/dbraw/zinc/04/58/05/295045805.db2.gz ZPEVNFCUMNCHFK-UHFFFAOYSA-N 0 0 319.380 0.923 50 0 DCAARN COc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(CO)CC2)c(OC)n1 ZINC000095362471 295203018 /nfs/dbraw/zinc/20/30/18/295203018.db2.gz CEEZXXVXDFTXBN-ZDUSSCGKSA-N 0 0 310.350 0.929 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000042502320 298925876 /nfs/dbraw/zinc/92/58/76/298925876.db2.gz PNGGJRLKWUQPMF-NEPJUHHUSA-N 0 0 314.411 0.202 50 0 DCAARN Cc1ccc([C@H]2[C@H](C(=O)N3CCOCC3)OCC(=O)N2C)cc1 ZINC000096181462 301845777 /nfs/dbraw/zinc/84/57/77/301845777.db2.gz BQOHJENQHZENCE-JKSUJKDBSA-N 0 0 318.373 0.752 50 0 DCAARN Cc1ccccc1NS(=O)(=O)c1c(C)n(C)c(=O)n(C)c1=O ZINC000004270181 302106908 /nfs/dbraw/zinc/10/69/08/302106908.db2.gz RCGBVNYKIRKTOS-UHFFFAOYSA-N 0 0 323.374 0.502 50 0 DCAARN [O-][N+]1=C2CCc3nonc3[C@@H]2[C@H]2CCC[C@]21N1CCOCC1 ZINC000019320444 304849521 /nfs/dbraw/zinc/84/95/21/304849521.db2.gz VUVWTFLFMZIMLX-WDBKCZKBSA-N 0 0 304.350 0.893 50 0 DCAARN COC(=O)c1ccc(NC(=O)CSc2nnc(C)n2N)cc1 ZINC000000401015 331462123 /nfs/dbraw/zinc/46/21/23/331462123.db2.gz OXVLVAVRJSHVNF-UHFFFAOYSA-N 0 0 321.362 0.818 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)NCc2ccccc2-n2ccnc2)C1 ZINC000056895498 331786258 /nfs/dbraw/zinc/78/62/58/331786258.db2.gz UQEDWCBPOCCNGW-ZDUSSCGKSA-N 0 0 313.361 0.889 50 0 DCAARN CC(C)[C@H](NS(=O)(=O)N1CCN(C)CC1)c1cccnc1 ZINC000534591817 334294773 /nfs/dbraw/zinc/29/47/73/334294773.db2.gz KLDQGGXPPKVLRW-AWEZNQCLSA-N 0 0 312.439 0.861 50 0 DCAARN CCN1C[C@@H](NC(=O)N(C)Cc2[nH]nc3c2CCC3)CC1=O ZINC000534646432 334305846 /nfs/dbraw/zinc/30/58/46/334305846.db2.gz PDZFDMVYRNOKIQ-JTQLQIEISA-N 0 0 305.382 0.661 50 0 DCAARN O=C(CCc1nc(Cl)n[nH]1)NCC1(CO)CCOCC1 ZINC000534653115 334312856 /nfs/dbraw/zinc/31/28/56/334312856.db2.gz GAVIDVYSHPBFQX-UHFFFAOYSA-N 0 0 302.762 0.296 50 0 DCAARN COc1c(F)cccc1C(=O)N[C@H]1COC[C@@H]1N1CCOCC1 ZINC000534655985 334313640 /nfs/dbraw/zinc/31/36/40/334313640.db2.gz VNALGSNEIFBRCS-KBPBESRZSA-N 0 0 324.352 0.664 50 0 DCAARN CO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1cccc(Cl)c1 ZINC000534649235 334316844 /nfs/dbraw/zinc/31/68/44/334316844.db2.gz DXPHQRQUCFLYCD-RYUDHWBXSA-N 0 0 304.799 0.947 50 0 DCAARN CCCc1ncncc1C(=O)N[C@H]1COC[C@@H]1N1CCOCC1 ZINC000534649810 334316949 /nfs/dbraw/zinc/31/69/49/334316949.db2.gz CFIUHXRYRNMUTB-GJZGRUSLSA-N 0 0 320.393 0.259 50 0 DCAARN O=S(=O)(NCc1cccc(-c2nn[nH]n2)c1)N1CCCC1 ZINC000534661271 334322026 /nfs/dbraw/zinc/32/20/26/334322026.db2.gz OBAJNJHIGKTMGI-UHFFFAOYSA-N 0 0 308.367 0.297 50 0 DCAARN COCc1noc(CNC(=O)c2cc(O)cc(C(=O)OC)c2)n1 ZINC000534674689 334322679 /nfs/dbraw/zinc/32/26/79/334322679.db2.gz XAYCREKCWGQZHD-UHFFFAOYSA-N 0 0 321.289 0.638 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(C)ns1 ZINC000266620473 520525678 /nfs/dbraw/zinc/52/56/78/520525678.db2.gz FTYSSKLETCCXGU-VIFPVBQESA-N 0 0 318.424 0.989 50 0 DCAARN CN(c1cccc(C(=O)NC[C@H]2CCCO2)c1)S(C)(=O)=O ZINC000065364311 523644056 /nfs/dbraw/zinc/64/40/56/523644056.db2.gz LCYVQBGIOVLNER-CYBMUJFWSA-N 0 0 312.391 0.991 50 0 DCAARN COc1ccc(S(=O)(=O)NC[C@]2(O)CCOC2)cc1Cl ZINC000229633442 525067172 /nfs/dbraw/zinc/06/71/72/525067172.db2.gz JKVAXBPPUYLEIE-GFCCVEGCSA-N 0 0 321.782 0.778 50 0 DCAARN CC(=O)c1c(C)nn(CCC(=O)N[C@@H]2CCCNC2=O)c1C ZINC000299774666 527171518 /nfs/dbraw/zinc/17/15/18/527171518.db2.gz HWKPQPYKSQSAOV-GFCCVEGCSA-N 0 0 306.366 0.487 50 0 DCAARN CCOC(=O)c1nnn(C[C@H](O)c2ccc(F)cc2)c1CO ZINC000409444171 528381629 /nfs/dbraw/zinc/38/16/29/528381629.db2.gz NJAFSPJWKJJJOP-LBPRGKRZSA-N 0 0 309.297 0.820 50 0 DCAARN COc1ccc(S(=O)(=O)NCCCn2cncn2)cc1C ZINC000040527703 545648216 /nfs/dbraw/zinc/64/82/16/545648216.db2.gz YJJXITDLDLLIMZ-UHFFFAOYSA-N 0 0 310.379 0.964 50 0 DCAARN COC(=O)COC(=O)Cn1cc(Br)ccc1=O ZINC000073804300 545667502 /nfs/dbraw/zinc/66/75/02/545667502.db2.gz HUBXGELPXPTESB-UHFFFAOYSA-N 0 0 304.096 0.327 50 0 DCAARN O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)c1cccs1 ZINC000084442250 545699657 /nfs/dbraw/zinc/69/96/57/545699657.db2.gz XKFSGPAPYXTYEO-MNOVXSKESA-N 0 0 302.421 0.890 50 0 DCAARN O=C1CCN(S(=O)(=O)N2CCC[C@H]2c2ccco2)CCN1 ZINC000084432371 545700052 /nfs/dbraw/zinc/70/00/52/545700052.db2.gz DXHPJFRABTVOGB-NSHDSACASA-N 0 0 313.379 0.483 50 0 DCAARN Cc1cc(NC(=O)[C@@H]2CCCO2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000084101978 545700761 /nfs/dbraw/zinc/70/07/61/545700761.db2.gz LMVPPCAJZQLUEH-QWRGUYRKSA-N 0 0 313.379 0.669 50 0 DCAARN CCCCN(CC(N)=O)c1nn2c(nc(CC)cc2=O)s1 ZINC000084744376 545705256 /nfs/dbraw/zinc/70/52/56/545705256.db2.gz PZNFWRNCEAPHNG-UHFFFAOYSA-N 0 0 309.395 0.805 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)NCCCn1ncc2ccccc21 ZINC000215747668 545937239 /nfs/dbraw/zinc/93/72/39/545937239.db2.gz RQLJQXAJWRVURU-LLVKDONJSA-N 0 0 315.333 0.141 50 0 DCAARN CN1C(=O)[C@H]2CN(C(=O)C(=O)CCc3ccccc3)C[C@H]2C1=O ZINC000215760493 545937439 /nfs/dbraw/zinc/93/74/39/545937439.db2.gz ANIWQNHCIOFMJY-BETUJISGSA-N 0 0 314.341 0.262 50 0 DCAARN CCCN1C(=O)N[C@H](CC(=O)NCCCc2ccncc2)C1=O ZINC000215838774 545938576 /nfs/dbraw/zinc/93/85/76/545938576.db2.gz YTQOYEVQZLZLNL-CYBMUJFWSA-N 0 0 318.377 0.851 50 0 DCAARN OC1CN(Cc2ccc(OCCCN3CCOCC3)cc2)C1 ZINC000216058907 545939535 /nfs/dbraw/zinc/93/95/35/545939535.db2.gz OJNRWZQAKFLLBJ-UHFFFAOYSA-N 0 0 306.406 0.964 50 0 DCAARN CC1(C)CNC(=O)[C@H]1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000585094202 546303430 /nfs/dbraw/zinc/30/34/30/546303430.db2.gz OLYBAGYRFSNTCS-SNVBAGLBSA-N 0 0 322.308 0.907 50 0 DCAARN O=C(c1scc2c1OCCO2)N1CCN2C(=O)OC[C@H]2C1 ZINC000670437487 547089959 /nfs/dbraw/zinc/08/99/59/547089959.db2.gz YKBJZPOXHSFUTH-MRVPVSSYSA-N 0 0 310.331 0.796 50 0 DCAARN CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cncc(C(N)=O)n1 ZINC000670438881 547091444 /nfs/dbraw/zinc/09/14/44/547091444.db2.gz AHGPGPCEOZQRLB-SNVBAGLBSA-N 0 0 305.382 0.659 50 0 DCAARN CNC(=O)CCC(C)(C)NC(=O)COC[C@H]1CCCCO1 ZINC000670440451 547091497 /nfs/dbraw/zinc/09/14/97/547091497.db2.gz LSOLMRMFBRORGR-GFCCVEGCSA-N 0 0 300.399 0.993 50 0 DCAARN CCCN1C[C@@H](NS(=O)(=O)c2cn(C)c(C)n2)CC1=O ZINC000670447693 547094282 /nfs/dbraw/zinc/09/42/82/547094282.db2.gz WYQUCNKXKPHRMR-JTQLQIEISA-N 0 0 300.384 0.018 50 0 DCAARN C[C@@H](NC(=O)c1ccc(OCC(N)=O)cc1)c1nncn1C ZINC000670455851 547097622 /nfs/dbraw/zinc/09/76/22/547097622.db2.gz IVJKETQEHYBQSP-SECBINFHSA-N 0 0 303.322 0.170 50 0 DCAARN Cc1n[nH]c(C)c1CNC(=O)c1ccc(Cn2cnnn2)cc1 ZINC000670459816 547098099 /nfs/dbraw/zinc/09/80/99/547098099.db2.gz GUQBGMYLQSLJJE-UHFFFAOYSA-N 0 0 311.349 0.991 50 0 DCAARN CCCc1cc(CNC(=O)c2c[nH]nc2-n2cnnn2)on1 ZINC000670462607 547099332 /nfs/dbraw/zinc/09/93/32/547099332.db2.gz HTMISMRCBPLVHJ-UHFFFAOYSA-N 0 0 302.298 0.256 50 0 DCAARN Cn1cnc(C(=O)N[C@@H]2CCCC[C@@H]2CC2N=NC(=O)N2C)c1 ZINC000685941436 548747057 /nfs/dbraw/zinc/74/70/57/548747057.db2.gz BXJVGIQSJKHLKX-GHMZBOCLSA-N 0 0 318.381 0.786 50 0 DCAARN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)C3=C(C)CCC3)C2)C1 ZINC000685942803 548748350 /nfs/dbraw/zinc/74/83/50/548748350.db2.gz QTDJQVVNGMWICE-LLVKDONJSA-N 0 0 305.378 0.292 50 0 DCAARN C[C@](O)(CNC(=O)N1CCNC1=O)c1ccc2c(c1)OCO2 ZINC000206704117 563635512 /nfs/dbraw/zinc/63/55/12/563635512.db2.gz AHQMOIFEWBBGOH-AWEZNQCLSA-N 0 0 307.306 0.358 50 0 DCAARN O=C(Cc1c[nH]cn1)N[C@@H]1COCC[C@H]1OCc1ccccn1 ZINC000222273235 563724586 /nfs/dbraw/zinc/72/45/86/563724586.db2.gz XHXWJJLIWUQUIO-HUUCEWRRSA-N 0 0 316.361 0.838 50 0 DCAARN O=C(Cn1ccccc1=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000426362072 661558658 /nfs/dbraw/zinc/55/86/58/661558658.db2.gz QUQOYAJYIYNCFK-KBPBESRZSA-N 0 0 305.378 0.218 50 0 DCAARN CN(C)C(=O)CN1CCN(C(=O)/C=C/c2ccsc2)CC1 ZINC000025248748 662169152 /nfs/dbraw/zinc/16/91/52/662169152.db2.gz AQVRBWYPNNZDNJ-ONEGZZNKSA-N 0 0 307.419 0.994 50 0 DCAARN CC(=O)NCC(=O)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000011815885 666214161 /nfs/dbraw/zinc/21/41/61/666214161.db2.gz MZISWIMMSHFLKM-ZDUSSCGKSA-N 0 0 307.325 0.179 50 0 DCAARN CN(C)S(=O)(=O)N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000012429675 666633992 /nfs/dbraw/zinc/63/39/92/666633992.db2.gz UCZMIZXECVWXIL-CYBMUJFWSA-N 0 0 323.418 0.151 50 0 DCAARN COC(=O)NC(C)(C)C(=O)N1CCN(c2nccs2)CC1 ZINC000104223896 667964535 /nfs/dbraw/zinc/96/45/35/667964535.db2.gz YGQNXDBWHOPJDT-UHFFFAOYSA-N 0 0 312.395 0.926 50 0 DCAARN Cn1ccnc1C(=O)NC[C@H](c1cccnc1)N1CCOCC1 ZINC000952966047 685598813 /nfs/dbraw/zinc/59/88/13/685598813.db2.gz DAERSSQLOPBVJG-CQSZACIVSA-N 0 0 315.377 0.618 50 0 DCAARN CC[C@H](CO)N(Cc1cccnc1)C(=O)CN1CCCC1=O ZINC000952970056 685599120 /nfs/dbraw/zinc/59/91/20/685599120.db2.gz HOLPETUVJFGGDD-CQSZACIVSA-N 0 0 305.378 0.804 50 0 DCAARN CCNC(=O)[C@@H]1CCN(S(=O)(=O)N2CCC(C)(C)CC2)C1 ZINC000952975749 685599830 /nfs/dbraw/zinc/59/98/30/685599830.db2.gz GGOVWKXZVNYXCI-GFCCVEGCSA-N 0 0 317.455 0.811 50 0 DCAARN CCN(CCN1CCOCC1)C(=O)Cn1nc2ccccc2n1 ZINC000952972277 685599893 /nfs/dbraw/zinc/59/98/93/685599893.db2.gz OVJPTKOOSFDTTR-UHFFFAOYSA-N 0 0 317.393 0.612 50 0 DCAARN CC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cccc(C)c3)CCN2C1=O ZINC000014538554 685048099 /nfs/dbraw/zinc/04/80/99/685048099.db2.gz PLAOBHGVFZGFPR-UONOGXRCSA-N 0 0 315.373 0.556 50 0 DCAARN Cc1cccc(CN2CCN3C(=O)[C@H](C)N(C)C(=O)[C@H]3C2)c1 ZINC000014536595 685048110 /nfs/dbraw/zinc/04/81/10/685048110.db2.gz FAIGLUMNJDSEEP-DZGCQCFKSA-N 0 0 301.390 0.868 50 0 DCAARN CN(C)c1cnn(CC(=O)Nc2c3c(nn2C)CCC3)c(=O)c1 ZINC000019773897 685051549 /nfs/dbraw/zinc/05/15/49/685051549.db2.gz BAACNONWSLMOKA-UHFFFAOYSA-N 0 0 316.365 0.170 50 0 DCAARN NC(=O)c1cc2c(nc1N1Cc3cnn(CCO)c3C1)CCC2 ZINC000067909674 685071185 /nfs/dbraw/zinc/07/11/85/685071185.db2.gz WTDJBYGRFOZKIT-UHFFFAOYSA-N 0 0 313.361 0.378 50 0 DCAARN COCCN1CCC[C@@]2(CCN(Cc3noc(C)n3)C2)C1=O ZINC000091738282 685105333 /nfs/dbraw/zinc/10/53/33/685105333.db2.gz TYMVQQAUSCFAHX-HNNXBMFYSA-N 0 0 308.382 0.839 50 0 DCAARN CC(C)[C@@H]1CN(C(=O)CN2CCC[N@H+](C)CC2)C[C@H]1C(=O)[O-] ZINC000091713601 685105663 /nfs/dbraw/zinc/10/56/63/685105663.db2.gz JIEPRDAEVDBPLW-UONOGXRCSA-N 0 0 311.426 0.439 50 0 DCAARN O=C(CN1CCC([C@@H](O)CO)CC1)NCCc1ccccc1 ZINC001772708215 1157846068 /nfs/dbraw/zinc/84/60/68/1157846068.db2.gz GEOQUMZTMRRVRJ-INIZCTEOSA-N 0 0 306.406 0.411 50 0 DCAARN O=C(c1ccc2nccnc2c1)N1CCC([C@H](O)CO)CC1 ZINC001772710911 1157847459 /nfs/dbraw/zinc/84/74/59/1157847459.db2.gz TUALHZHTBKLJKL-OAHLLOKOSA-N 0 0 301.346 0.835 50 0 DCAARN O=c1cc(CN2CCC([C@@H](O)CO)CC2)nc2sccn21 ZINC001772711948 1157847741 /nfs/dbraw/zinc/84/77/41/1157847741.db2.gz YYQKHQQRKDXYPU-LBPRGKRZSA-N 0 0 309.391 0.321 50 0 DCAARN O=C(C[N@@H+]1C[C@@H]2COCC[C@]2(C(=O)[O-])C1)NC1CCCCC1 ZINC001772710109 1157847785 /nfs/dbraw/zinc/84/77/85/1157847785.db2.gz VLAOWRNLKJGJGN-WBMJQRKESA-N 0 0 310.394 0.858 50 0 DCAARN C[N@@H+]1CCC[C@]2(C(=O)[O-])CCN(c3cc(CO)ccn3)C[C@@H]12 ZINC001704300428 1179966824 /nfs/dbraw/zinc/96/68/24/1179966824.db2.gz VQEYKQULJDYSGM-CJNGLKHVSA-N 0 0 305.378 0.949 50 0 DCAARN C[C@@]1(O)CCOC2(CCN(c3ncnc4[nH]ccc43)CC2)[C@H]1O ZINC001704312649 1179969102 /nfs/dbraw/zinc/96/91/02/1179969102.db2.gz WPUTWPYDSDFLEM-LSDHHAIUSA-N 0 0 318.377 0.829 50 0 DCAARN CCOc1ccc(CN2C[C@@H]3COC[C@H](C2)N(C)C3=O)cn1 ZINC001704328559 1179974145 /nfs/dbraw/zinc/97/41/45/1179974145.db2.gz LRALUDGWLBDMNI-KGLIPLIRSA-N 0 0 305.378 0.769 50 0 DCAARN Cn1cc(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cn1 ZINC001704358457 1179984961 /nfs/dbraw/zinc/98/49/61/1179984961.db2.gz NFPFKTVGNCKSHG-OCCSQVGLSA-N 0 0 322.390 0.351 50 0 DCAARN CN(C)C(=O)N(CCNC(=O)c1cccnc1)C1CCOCC1 ZINC000675019172 748026948 /nfs/dbraw/zinc/02/69/48/748026948.db2.gz CCJVYZLZFHIIPP-UHFFFAOYSA-N 0 0 320.393 0.974 50 0 DCAARN CCCc1noc(CN(C)C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 ZINC000823020272 758217214 /nfs/dbraw/zinc/21/72/14/758217214.db2.gz HRNHFEMNOPQAAN-SECBINFHSA-N 0 0 316.383 0.351 50 0 DCAARN CCc1nc(S(=O)(=O)NC[C@@H]2CC(=O)N(CC)C2)c[nH]1 ZINC000823102704 758223995 /nfs/dbraw/zinc/22/39/95/758223995.db2.gz WXQVPHHBVOHGLM-VIFPVBQESA-N 0 0 300.384 0.119 50 0 DCAARN CCOCCN1CCCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000823331723 758236893 /nfs/dbraw/zinc/23/68/93/758236893.db2.gz ZGKRNNMDNFTACR-UHFFFAOYSA-N 0 0 319.471 0.761 50 0 DCAARN COC[C@@H]1CCCN1S(=O)(=O)NCCC1(O)CCCC1 ZINC000824370913 758771019 /nfs/dbraw/zinc/77/10/19/758771019.db2.gz BATJKBQSDOFWFI-LBPRGKRZSA-N 0 0 306.428 0.627 50 0 DCAARN Cc1cnn([C@H](C)c2nc(CC(N)=O)nn2-c2cccnc2)c1 ZINC000826842234 758845383 /nfs/dbraw/zinc/84/53/83/758845383.db2.gz OGBYCRQVCJQNCW-LLVKDONJSA-N 0 0 311.349 0.804 50 0 DCAARN CC(C)(C)n1nc(CC(N)=O)nc1CCCN1CCCC1=O ZINC000826842487 758845549 /nfs/dbraw/zinc/84/55/49/758845549.db2.gz WJASYTNCUJAKOG-UHFFFAOYSA-N 0 0 307.398 0.616 50 0 DCAARN C[C@H](Cn1cncn1)C(=O)N1CCC(O)(c2cccnc2)CC1 ZINC000827628137 758872081 /nfs/dbraw/zinc/87/20/81/758872081.db2.gz YRWRPQIOXRCQMT-CYBMUJFWSA-N 0 0 315.377 0.819 50 0 DCAARN Cn1ncc(N2CC[C@H](C(=O)NCc3cccnc3)C2)cc1=O ZINC000581792871 760252556 /nfs/dbraw/zinc/25/25/56/760252556.db2.gz RPWBWWAKWPTZGA-ZDUSSCGKSA-N 0 0 313.361 0.318 50 0 DCAARN CC(C)CC(=O)N1CC(n2cc(C(=O)N3CCCC3)nn2)C1 ZINC000581810733 760255103 /nfs/dbraw/zinc/25/51/03/760255103.db2.gz RQLIQJOIVPROJS-UHFFFAOYSA-N 0 0 305.382 0.944 50 0 DCAARN CCn1cc(-c2noc(CNC(=O)CN3CCOC3=O)n2)cn1 ZINC000585401791 768081240 /nfs/dbraw/zinc/08/12/40/768081240.db2.gz XFMLZDVHLKZEQI-UHFFFAOYSA-N 0 0 320.309 0.021 50 0 DCAARN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(n2nccn2)C1 ZINC000888107203 765411874 /nfs/dbraw/zinc/41/18/74/765411874.db2.gz XZPFODQPEHTQRC-SNVBAGLBSA-N 0 0 316.317 0.858 50 0 DCAARN CNC(=O)[C@H]1CCC[C@@H]1Nc1ccc(-n2ccnc2C)nn1 ZINC000585092709 766277904 /nfs/dbraw/zinc/27/79/04/766277904.db2.gz JTLXTHWPFUBSOX-RYUDHWBXSA-N 0 0 300.366 1.297 50 0 DCAARN COC(=O)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(F)(F)F ZINC000585127981 766290094 /nfs/dbraw/zinc/29/00/94/766290094.db2.gz OGQKKKUVDHHNDO-IUCAKERBSA-N 0 0 310.272 0.608 50 0 DCAARN Cn1ccc(C(=O)N[C@H](CO)[C@H](O)c2ccc(Cl)cc2)n1 ZINC000585128326 766290442 /nfs/dbraw/zinc/29/04/42/766290442.db2.gz YOYGXKVAVIRZDV-CHWSQXEVSA-N 0 0 309.753 0.898 50 0 DCAARN COC(=O)C1CCC(S(=O)(=O)NC[C@@H]2CCCO2)CC1 ZINC000585135209 766292908 /nfs/dbraw/zinc/29/29/08/766292908.db2.gz PNQKIIPHFDUCTM-CXQJBGSLSA-N 0 0 305.396 0.817 50 0 DCAARN Cc1cc(NC(=O)C(=O)N2CCc3cccc(F)c32)nn1C ZINC000585138163 766293677 /nfs/dbraw/zinc/29/36/77/766293677.db2.gz SGAPYBBHIRYGMJ-UHFFFAOYSA-N 0 0 302.309 1.395 50 0 DCAARN Cc1nnc(CN2CCC(CNC(=O)[C@H]3CCCO3)CC2)[nH]1 ZINC000952860120 768920050 /nfs/dbraw/zinc/92/00/50/768920050.db2.gz FJIXTITVDJPQKY-CYBMUJFWSA-N 0 0 307.398 0.620 50 0 DCAARN CCN([C@@H](C)CCO)S(=O)(=O)c1cc(C(N)=O)cs1 ZINC000952871834 768933639 /nfs/dbraw/zinc/93/36/39/768933639.db2.gz DLKNXEYXTUCEJB-QMMMGPOBSA-N 0 0 306.409 0.629 50 0 DCAARN C1=C[C@H](Cn2nnnc2N2CCN(c3ncccn3)CC2)CC1 ZINC000952879121 768942959 /nfs/dbraw/zinc/94/29/59/768942959.db2.gz NHKUVYDXHHCCAG-ZDUSSCGKSA-N 0 0 312.381 0.756 50 0 DCAARN Cc1ccc(S(=O)(=O)N2[C@@H](C)C(=O)NCC23COC3)cc1C ZINC000952881709 768948081 /nfs/dbraw/zinc/94/80/81/768948081.db2.gz MNBMRJINWOSTHH-LBPRGKRZSA-N 0 0 324.402 0.581 50 0 DCAARN COC(=O)c1cc(S(=O)(=O)NCc2c(C)n[nH]c2C)c[nH]1 ZINC000952883005 768949842 /nfs/dbraw/zinc/94/98/42/768949842.db2.gz LZARQTGCPXNJLP-UHFFFAOYSA-N 0 0 312.351 0.620 50 0 DCAARN O=C(CCCn1cncn1)N1C[C@@H](Cc2ccncc2)[C@H](O)C1 ZINC001529167921 1014510301 /nfs/dbraw/zinc/51/03/01/1014510301.db2.gz SUOWAIDPXTXMKS-HUUCEWRRSA-N 0 0 315.377 0.515 50 0 DCAARN O=C(Cc1cccnc1)N1CCN2[C@@H](COC[C@@H]2C2CC2)C1 ZINC001529161199 1014511927 /nfs/dbraw/zinc/51/19/27/1014511927.db2.gz BUYWXYMNLKJWPL-HZPDHXFCSA-N 0 0 301.390 0.946 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cc(C)n(C)n3)C[C@H]2O)on1 ZINC001529195700 1014518464 /nfs/dbraw/zinc/51/84/64/1014518464.db2.gz NMOHXVMWYHOKHH-BXUZGUMPSA-N 0 0 304.350 0.701 50 0 DCAARN CC(=O)Nc1nonc1NC(=O)CC[C@@H](C)N1CCOCC1 ZINC001529199238 1014519991 /nfs/dbraw/zinc/51/99/91/1014519991.db2.gz ZSVJXMAHIFGVRF-SECBINFHSA-N 0 0 311.342 0.467 50 0 DCAARN NC(=O)[C@H]1CCC[N@H+](CCCNc2nccnc2C(=O)[O-])C1 ZINC001506400283 1017255114 /nfs/dbraw/zinc/25/51/14/1017255114.db2.gz BUJWNRADKGIAGP-JTQLQIEISA-N 0 0 307.354 0.174 50 0 DCAARN CC(C)Cc1cc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)nc(N)n1 ZINC001506413346 1017260249 /nfs/dbraw/zinc/26/02/49/1017260249.db2.gz QZFUMMGTCMBQDB-NSHDSACASA-N 0 0 319.365 0.534 50 0 DCAARN CCc1nn(C)c(NC(=O)C[C@H]2C(=O)NCCN2CC)c1CC ZINC001506417700 1017263741 /nfs/dbraw/zinc/26/37/41/1017263741.db2.gz KSJVPQHRRUZFTK-ZDUSSCGKSA-N 0 0 321.425 0.694 50 0 DCAARN COCCCNC(=O)[C@H]1CCCN(c2ccc(OC)nn2)C1 ZINC000095476189 185373296 /nfs/dbraw/zinc/37/32/96/185373296.db2.gz NMPDFJRPFUZTCG-LBPRGKRZSA-N 0 0 308.382 0.854 50 0 DCAARN Cc1cc(=O)[nH]c(CCNC(=O)[C@@H]2COc3ccccc3C2)n1 ZINC000095497778 185374343 /nfs/dbraw/zinc/37/43/43/185374343.db2.gz MTOUGKCFWUYHRL-ZDUSSCGKSA-N 0 0 313.357 0.988 50 0 DCAARN O=C(NCCN1CCNC1=O)[C@H]1CCN(c2ccccc2)C1=O ZINC000095498118 185374475 /nfs/dbraw/zinc/37/44/75/185374475.db2.gz YSGIUQJCQSQQAI-CYBMUJFWSA-N 0 0 316.361 0.181 50 0 DCAARN O=C(CN1CC(=O)NC1=O)NCCc1nc2ccccc2s1 ZINC000074718535 185012616 /nfs/dbraw/zinc/01/26/16/185012616.db2.gz BUGCILUHNMMURR-UHFFFAOYSA-N 0 0 318.358 0.507 50 0 DCAARN CN(C)S(=O)(=O)CCNC(=O)[C@H]1COc2ccccc2C1 ZINC000095500343 185374743 /nfs/dbraw/zinc/37/47/43/185374743.db2.gz UISQGYNHDHSCLA-GFCCVEGCSA-N 0 0 312.391 0.245 50 0 DCAARN O=C(NCc1c[nH]c(=O)[nH]c1=O)[C@H]1CCOc2ccccc2C1 ZINC000095510306 185376034 /nfs/dbraw/zinc/37/60/34/185376034.db2.gz IBYXWJQJQMZTRF-NSHDSACASA-N 0 0 315.329 0.321 50 0 DCAARN COc1ccc([C@@H](CO)N(C)CC(=O)NC2CCOCC2)cc1 ZINC000079091212 185156489 /nfs/dbraw/zinc/15/64/89/185156489.db2.gz HFXCFXSFOYLCFF-MRXNPFEDSA-N 0 0 322.405 0.956 50 0 DCAARN O=C(c1ccc(=O)[nH]n1)N1CCC(Oc2ccccn2)CC1 ZINC000090607471 185306297 /nfs/dbraw/zinc/30/62/97/185306297.db2.gz AHQSPAADWIGJRQ-UHFFFAOYSA-N 0 0 300.318 0.849 50 0 DCAARN CCS(=O)(=O)N1CCN(Cc2cnc3ccccn23)CC1 ZINC000090609438 185306749 /nfs/dbraw/zinc/30/67/49/185306749.db2.gz CKOJYHMJMAEPPI-UHFFFAOYSA-N 0 0 308.407 0.802 50 0 DCAARN CCS(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1 ZINC000002943625 190617285 /nfs/dbraw/zinc/61/72/85/190617285.db2.gz SYSPGYKZUMUXHH-UHFFFAOYSA-N 0 0 300.380 0.958 50 0 DCAARN Cc1ccccc1N1C[C@H](C)N(C(=O)CCC(N)=O)CC1=O ZINC000082139234 192360306 /nfs/dbraw/zinc/36/03/06/192360306.db2.gz KNDXMUMGFZJLBJ-LBPRGKRZSA-N 0 0 303.362 0.824 50 0 DCAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CSCN1C ZINC000095390187 185351388 /nfs/dbraw/zinc/35/13/88/185351388.db2.gz PVCQDVRIHNDYKY-LBPRGKRZSA-N 0 0 318.402 0.886 50 0 DCAARN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccc(N)nc2)on1 ZINC000095392195 185351770 /nfs/dbraw/zinc/35/17/70/185351770.db2.gz SCPXVUJDOZCAQY-YPMHNXCESA-N 0 0 302.334 0.948 50 0 DCAARN O=C(NCc1cn[nH]n1)c1nc(N2CCCC2)ncc1Cl ZINC000097011384 185396846 /nfs/dbraw/zinc/39/68/46/185396846.db2.gz FPPFNPYGHCSHCO-UHFFFAOYSA-N 0 0 307.745 0.778 50 0 DCAARN CC[C@@H](CCNC(=O)[C@]1(O)CCSC1)N1CCCC1=O ZINC000095451721 185369094 /nfs/dbraw/zinc/36/90/94/185369094.db2.gz VLRJDPYFYABDJO-FZMZJTMJSA-N 0 0 300.424 0.762 50 0 DCAARN O=C(NCCOc1cccc(F)c1)c1cccn2c(=O)[nH]nc12 ZINC000095456821 185370429 /nfs/dbraw/zinc/37/04/29/185370429.db2.gz JBXHJAQUZCAQHY-UHFFFAOYSA-N 0 0 316.292 0.971 50 0 DCAARN O=S(=O)(NC[C@H]1COC2(CCCC2)O1)N1CCCCC1 ZINC000095459479 185370706 /nfs/dbraw/zinc/37/07/06/185370706.db2.gz FFECPCAYBSKJJT-LBPRGKRZSA-N 0 0 304.412 0.992 50 0 DCAARN CC(C)(CO)N1CCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC000095461925 185371049 /nfs/dbraw/zinc/37/10/49/185371049.db2.gz KJEXJHAPQDTCAL-UHFFFAOYSA-N 0 0 320.455 0.131 50 0 DCAARN CCc1nc(CS(=O)(=O)c2ncc(CO)n2C)cs1 ZINC000095463586 185371129 /nfs/dbraw/zinc/37/11/29/185371129.db2.gz XNAVOASRYNCZLA-UHFFFAOYSA-N 0 0 301.393 0.905 50 0 DCAARN CCOC(=O)Cc1csc(NC(=O)CN2CCOCC2)n1 ZINC000020167787 190645846 /nfs/dbraw/zinc/64/58/46/190645846.db2.gz ZDOSQVHMOFOEIN-UHFFFAOYSA-N 0 0 313.379 0.519 50 0 DCAARN CNS(=O)(=O)c1cccc(CNC(=O)c2ccc(=O)[nH]c2)c1 ZINC000032914575 190659091 /nfs/dbraw/zinc/65/90/91/190659091.db2.gz IHKMXXUZVJKKMW-UHFFFAOYSA-N 0 0 321.358 0.213 50 0 DCAARN C[C@@H](NC(=O)CCN1CCS(=O)(=O)CC1)c1ccccc1 ZINC000103287434 185444446 /nfs/dbraw/zinc/44/44/46/185444446.db2.gz ZBLXDOVQMQPQOU-CYBMUJFWSA-N 0 0 310.419 0.984 50 0 DCAARN COCC[C@@H]1COCCN1C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC000330916741 232161124 /nfs/dbraw/zinc/16/11/24/232161124.db2.gz LCZFODLVSOGQCK-VXGBXAGGSA-N 0 0 300.399 0.801 50 0 DCAARN CCn1c(=O)[nH]nc1C1CCN(C(=O)[C@@]2(C)CC(C)=NO2)CC1 ZINC000067982015 190741576 /nfs/dbraw/zinc/74/15/76/190741576.db2.gz PFCTVDRZKOXCJD-OAHLLOKOSA-N 0 0 321.381 0.852 50 0 DCAARN Cc1cc(C(=O)NCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c(C)o1 ZINC000068096376 190748424 /nfs/dbraw/zinc/74/84/24/190748424.db2.gz ATRCZLZFHITEHB-JOYOIKCWSA-N 0 0 321.377 0.739 50 0 DCAARN COc1ccc2c(c1)CCN(C(=O)C1CN(S(C)(=O)=O)C1)C2 ZINC000070816986 190918279 /nfs/dbraw/zinc/91/82/79/190918279.db2.gz WZCHZLWAZZDIST-UHFFFAOYSA-N 0 0 324.402 0.471 50 0 DCAARN COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1CCCCC1 ZINC000083891535 192388652 /nfs/dbraw/zinc/38/86/52/192388652.db2.gz SUGHQMBUWJONDZ-RYUDHWBXSA-N 0 0 305.396 0.505 50 0 DCAARN O=C([O-])C[C@@H]1C[NH2+]CCN(C(=O)c2cccc3c2OCC3)C1 ZINC000071748368 191020653 /nfs/dbraw/zinc/02/06/53/191020653.db2.gz WUDHCSWCMWQUAL-LLVKDONJSA-N 0 0 304.346 0.758 50 0 DCAARN Nc1nc2c(c(=O)[nH]1)CCN(C(=O)Cc1c[nH]c3ccccc13)C2 ZINC000071764415 191027677 /nfs/dbraw/zinc/02/76/77/191027677.db2.gz RDYWAMRQAXLBGI-UHFFFAOYSA-N 0 0 323.356 0.961 50 0 DCAARN NC(=O)CN1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000072137024 191046751 /nfs/dbraw/zinc/04/67/51/191046751.db2.gz MYWLSUVAKRFGCS-CQSZACIVSA-N 0 0 320.412 0.897 50 0 DCAARN O=C(c1cn2cc(Cl)ccc2n1)N1CCC[C@](O)(CO)C1 ZINC000072142937 191049276 /nfs/dbraw/zinc/04/92/76/191049276.db2.gz CUXLGHADHFGPBQ-CQSZACIVSA-N 0 0 309.753 0.947 50 0 DCAARN O=C(c1cc(=O)c2ccccc2[nH]1)N1CC[C@H](CO)[C@@H](O)C1 ZINC000072153011 191057208 /nfs/dbraw/zinc/05/72/08/191057208.db2.gz XWXGUMIPBCXCMP-BMIGLBTASA-N 0 0 302.330 0.343 50 0 DCAARN O=C(c1cc(N2CCc3n[nH]cc3C2)ccn1)N1CCOCC1 ZINC000072152924 191057490 /nfs/dbraw/zinc/05/74/90/191057490.db2.gz WQWBHCWLDGMBDO-UHFFFAOYSA-N 0 0 313.361 0.840 50 0 DCAARN CCc1nc(N2CCN[C@@H](C(=O)N3CCCC3)C2)ncc1C ZINC000072157809 191061203 /nfs/dbraw/zinc/06/12/03/191061203.db2.gz DVPOZIRLNYIKGP-CQSZACIVSA-N 0 0 303.410 0.748 50 0 DCAARN COC[C@H](NS(=O)(=O)NCc1ccccc1)c1ccnn1C ZINC000072161948 191062725 /nfs/dbraw/zinc/06/27/25/191062725.db2.gz SSAYMTVUNDHEPM-ZDUSSCGKSA-N 0 0 324.406 0.732 50 0 DCAARN CN1C[C@]2(CCN(CC(=O)NCc3ccccn3)C2)OC1=O ZINC000072163421 191064323 /nfs/dbraw/zinc/06/43/23/191064323.db2.gz JKIBUXLYTBBQPP-HNNXBMFYSA-N 0 0 304.350 0.224 50 0 DCAARN O=C(Cn1cc2ccccc2n1)N1CCC[C@@](O)(CO)CC1 ZINC000072169282 191068470 /nfs/dbraw/zinc/06/84/70/191068470.db2.gz OYGJSKFQANLCNM-INIZCTEOSA-N 0 0 303.362 0.772 50 0 DCAARN CCCCNC(=O)c1cnc(N2CCOCC2)nc1COC ZINC000072265517 191089532 /nfs/dbraw/zinc/08/95/32/191089532.db2.gz SRAHZODSEQNWAG-UHFFFAOYSA-N 0 0 308.382 0.990 50 0 DCAARN O=C(CNc1cc(N2CCC[C@H]2CO)ncn1)N1CCCC1 ZINC000072276046 191097939 /nfs/dbraw/zinc/09/79/39/191097939.db2.gz OKBVPPWUHSSSQB-LBPRGKRZSA-N 0 0 305.382 0.472 50 0 DCAARN NC(=O)Cn1cc(C(=O)N2CCC[C@H](c3nccs3)C2)nn1 ZINC000072298614 191113239 /nfs/dbraw/zinc/11/32/39/191113239.db2.gz FGAVUPYGIAYXHA-VIFPVBQESA-N 0 0 320.378 0.240 50 0 DCAARN COc1cc(C)n(CCNC(=O)c2snnc2C)c(=O)c1 ZINC000225614302 186283060 /nfs/dbraw/zinc/28/30/60/186283060.db2.gz CXGBYZLOQARTIG-UHFFFAOYSA-N 0 0 308.363 0.755 50 0 DCAARN CC(C)C[C@H](NC(=O)[C@@H]1O[C@H](C)C[C@H]1C)C(=O)NCCO ZINC000253397452 186305462 /nfs/dbraw/zinc/30/54/62/186305462.db2.gz QZLPKLUDNGENHM-FVCCEPFGSA-N 0 0 300.399 0.439 50 0 DCAARN NC(=O)NC(=O)CN1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000253398713 186306507 /nfs/dbraw/zinc/30/65/07/186306507.db2.gz MPHFCZREDWUESX-SSDOTTSWSA-N 0 0 319.287 0.803 50 0 DCAARN CN(CCn1cccn1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000171880453 198000163 /nfs/dbraw/zinc/00/01/63/198000163.db2.gz PDWNTUZIUJZQHD-ZJUUUORDSA-N 0 0 318.299 0.799 50 0 DCAARN Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H]1NCCc2nc[nH]c21 ZINC000072410142 191153797 /nfs/dbraw/zinc/15/37/97/191153797.db2.gz XJUOEHKOFRDDOK-AWEZNQCLSA-N 0 0 302.382 0.638 50 0 DCAARN NS(=O)(=O)CCCC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000072431975 191164092 /nfs/dbraw/zinc/16/40/92/191164092.db2.gz RRJDYFPDHRHQQD-UHFFFAOYSA-N 0 0 300.384 0.184 50 0 DCAARN CCC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000072437279 191165410 /nfs/dbraw/zinc/16/54/10/191165410.db2.gz BJGBNSBJUJFURS-NSHDSACASA-N 0 0 305.444 0.810 50 0 DCAARN CC(C)=CCN1CCN(Cc2ncc[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072479943 191181708 /nfs/dbraw/zinc/18/17/08/191181708.db2.gz CCEJOPIHGCITTE-KGLIPLIRSA-N 0 0 324.450 0.659 50 0 DCAARN CS(=O)(=O)CCCN1CCNC(=O)[C@H]1c1cccs1 ZINC000072799556 191229902 /nfs/dbraw/zinc/22/99/02/191229902.db2.gz RIULAWZNTJVEKI-LLVKDONJSA-N 0 0 302.421 0.656 50 0 DCAARN Cn1cccc1[C@H]1CCCN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000331821012 234161867 /nfs/dbraw/zinc/16/18/67/234161867.db2.gz MBMOBVCOEWCUDY-SECBINFHSA-N 0 0 303.322 0.786 50 0 DCAARN C[C@@H]1CCc2onc(C(=O)Nc3cnn(C)c3C(N)=O)c2C1 ZINC000002805571 180959866 /nfs/dbraw/zinc/95/98/66/180959866.db2.gz FAQBUTPIEFUABC-SSDOTTSWSA-N 0 0 303.322 0.884 50 0 DCAARN COC(=O)CNC(=O)COC(=O)c1ccc2ccccc2n1 ZINC000003283489 181000495 /nfs/dbraw/zinc/00/04/95/181000495.db2.gz FZUTVUCGBHEYAY-UHFFFAOYSA-N 0 0 302.286 0.681 50 0 DCAARN CN(C(=O)COC(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCCCC1 ZINC000003309100 181003051 /nfs/dbraw/zinc/00/30/51/181003051.db2.gz SYTKFEROTOHOMQ-UHFFFAOYSA-N 0 0 309.322 0.011 50 0 DCAARN COc1ccc(OC)c(NC(=O)CN2C(=O)CN(C)C2=O)c1 ZINC000003376934 181013084 /nfs/dbraw/zinc/01/30/84/181013084.db2.gz QJIIDTABDDRZAP-UHFFFAOYSA-N 0 0 307.306 0.536 50 0 DCAARN O=C(NN1CCOCC1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000003352286 181010703 /nfs/dbraw/zinc/01/07/03/181010703.db2.gz OUMHBQNRXSYGFY-UHFFFAOYSA-N 0 0 314.345 0.269 50 0 DCAARN COCCNC(=O)NC(=O)CSc1nc(C)c(C)c(C)n1 ZINC000003355375 181010884 /nfs/dbraw/zinc/01/08/84/181010884.db2.gz CIIRMKJIJKLRAK-UHFFFAOYSA-N 0 0 312.395 0.966 50 0 DCAARN CN(C)S(=O)(=O)c1ccc(C(=O)O[C@@H]2CCOC2=O)cc1 ZINC000003486131 181025982 /nfs/dbraw/zinc/02/59/82/181025982.db2.gz OIFCMKUWSUUZAQ-LLVKDONJSA-N 0 0 313.331 0.409 50 0 DCAARN CCOC(=O)N1CCC(NC(=O)CNC(=O)c2ccco2)CC1 ZINC000003646232 181043671 /nfs/dbraw/zinc/04/36/71/181043671.db2.gz DXBIYURETKMPAY-UHFFFAOYSA-N 0 0 323.349 0.747 50 0 DCAARN CCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC000003812682 181045888 /nfs/dbraw/zinc/04/58/88/181045888.db2.gz PJNSMUBMSNAEEN-AWEZNQCLSA-N 0 0 318.373 0.899 50 0 in-vitro DCAARN COCCn1c(=O)[nH]c2cc(C(=O)NC3CC3)ccc2c1=O ZINC000003906600 181055928 /nfs/dbraw/zinc/05/59/28/181055928.db2.gz UVWKOTURCXZZLI-UHFFFAOYSA-N 0 0 303.318 0.228 50 0 DCAARN O=C(NC[C@H]1COc2ccccc2O1)C(=O)Nc1ccccn1 ZINC000004091293 181071953 /nfs/dbraw/zinc/07/19/53/181071953.db2.gz RMHNYSZKFDGMEA-NSHDSACASA-N 0 0 313.313 0.976 50 0 DCAARN CCCNC(=O)N[C@H]1[C@H](NC(=O)NCCC)N(C)C(=O)N1C ZINC000004186746 181083205 /nfs/dbraw/zinc/08/32/05/181083205.db2.gz BJIJZMUZMSFHAB-NXEZZACHSA-N 0 0 314.390 0.054 50 0 DCAARN CCCNC(=O)NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000004287912 181092879 /nfs/dbraw/zinc/09/28/79/181092879.db2.gz BBDKFTVFKYAEJW-UHFFFAOYSA-N 0 0 324.381 0.867 50 0 DCAARN O=c1[nH]cc(S(=O)(=O)Nc2cccc(Cl)c2)c(=O)[nH]1 ZINC000004480008 181112834 /nfs/dbraw/zinc/11/28/34/181112834.db2.gz XBWGRPYEUUDFDU-UHFFFAOYSA-N 0 0 301.711 0.517 50 0 DCAARN CN1C2=C(C(=O)N(CCCO)C2)[C@H](c2ccc(O)cc2)NC1=O ZINC000004689716 181137048 /nfs/dbraw/zinc/13/70/48/181137048.db2.gz CPSIPBYYQQHETH-AWEZNQCLSA-N 0 0 317.345 0.567 50 0 DCAARN O=C(CNC(=O)c1ccco1)NCC(=O)Nc1ccccc1 ZINC000004833152 181158553 /nfs/dbraw/zinc/15/85/53/181158553.db2.gz QGAHYDIYMTYIIX-UHFFFAOYSA-N 0 0 301.302 0.764 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(C)=O ZINC000004839926 181160441 /nfs/dbraw/zinc/16/04/41/181160441.db2.gz YNMNYLCEQZYIPJ-UHFFFAOYSA-N 0 0 314.363 0.675 50 0 DCAARN COCCCNC(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000004983157 181184262 /nfs/dbraw/zinc/18/42/62/181184262.db2.gz ICBWKQWIJZULFG-UHFFFAOYSA-N 0 0 314.407 0.914 50 0 DCAARN O=C(CCNC(=O)c1ccccc1F)N1CCOC[C@@H](CO)C1 ZINC000077287486 191686724 /nfs/dbraw/zinc/68/67/24/191686724.db2.gz IUNMTMDUMSUBLJ-GFCCVEGCSA-N 0 0 324.352 0.413 50 0 DCAARN COCCN1CCn2c3ccc(NS(C)(=O)=O)cc3nc2C1 ZINC000005208075 181216806 /nfs/dbraw/zinc/21/68/06/181216806.db2.gz AGJZBDMPURJFQI-UHFFFAOYSA-N 0 0 324.406 0.870 50 0 DCAARN O=C(NC[C@@H]1COC2(CCCC2)O1)C(=O)NC[C@@H]1CCCO1 ZINC000005353008 181233761 /nfs/dbraw/zinc/23/37/61/181233761.db2.gz XIXWZMZLNMZBQZ-NWDGAFQWSA-N 0 0 312.366 0.084 50 0 DCAARN O=C1[C@@H]2[C@H]3C[C@H]([C@H](O)[C@@H]3O)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000005529271 181253908 /nfs/dbraw/zinc/25/39/08/181253908.db2.gz JHVMYMCZPFIKFZ-BCFCROPCSA-N 0 0 307.733 0.817 50 0 DCAARN O=C1[C@@H]2[C@H]3C[C@H]([C@H](O)[C@@H]3O)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000005584031 181260758 /nfs/dbraw/zinc/26/07/58/181260758.db2.gz HMMPSZDOEBFYEE-BBRXFSAJSA-N 0 0 307.733 0.817 50 0 DCAARN COC(=O)C[C@@H](C(=O)OC)[P@@](=O)([O-])C[NH+]1CCCCC1 ZINC000020220462 291101014 /nfs/dbraw/zinc/10/10/14/291101014.db2.gz NIPWVBSCZQHZRL-JTQLQIEISA-N 0 0 307.283 0.805 50 0 DCAARN COc1cccc(CC(=O)N2CC[NH+]([C@H](C)C(=O)[O-])CC2)c1 ZINC000237372221 202246115 /nfs/dbraw/zinc/24/61/15/202246115.db2.gz RSMHSBCMTBMIFT-GFCCVEGCSA-N 0 0 306.362 0.855 50 0 DCAARN CCn1nc(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)NC)ccc1=O ZINC000089300109 192762168 /nfs/dbraw/zinc/76/21/68/192762168.db2.gz SQRZSPGITVJNDE-WDEREUQCSA-N 0 0 306.366 0.298 50 0 DCAARN C[C@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccccc3)CCN2C1=O ZINC000014746333 291187744 /nfs/dbraw/zinc/18/77/44/291187744.db2.gz HVYQUUCUCYZTQO-ZYHUDNBSSA-N 0 0 303.318 0.217 50 0 DCAARN CN(C)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000180704836 237257955 /nfs/dbraw/zinc/25/79/55/237257955.db2.gz WJNVNHBRYVEVTG-GFCCVEGCSA-N 0 0 303.428 0.994 50 0 DCAARN O=C(CCc1cn[nH]c1)N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000426652958 240354466 /nfs/dbraw/zinc/35/44/66/240354466.db2.gz OZBMINXRVGYDPL-ZDUSSCGKSA-N 0 0 306.366 0.192 50 0 DCAARN C[C@H]1Cc2ccccc2N1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000243670429 238158048 /nfs/dbraw/zinc/15/80/48/238158048.db2.gz PDQUWKHJGGEGEP-AAEUAGOBSA-N 0 0 308.403 0.741 50 0 DCAARN CCOC(=O)c1ccc2nc(N)n(S(=O)(=O)N(C)C)c2c1 ZINC000006244654 181322553 /nfs/dbraw/zinc/32/25/53/181322553.db2.gz VIAONDSLDLNKQJ-UHFFFAOYSA-N 0 0 312.351 0.450 50 0 DCAARN COc1ccc([C@@H](NC(=O)Cn2cccn2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244748476 202496219 /nfs/dbraw/zinc/49/62/19/202496219.db2.gz OIGDFEQTBCBWKE-DVOMOZLQSA-N 0 0 316.361 0.915 50 0 DCAARN COC(=O)COc1ccc(S(=O)(=O)NCCCO)cc1C ZINC000006471825 181343278 /nfs/dbraw/zinc/34/32/78/181343278.db2.gz RCUKAIPQOXSXLO-UHFFFAOYSA-N 0 0 317.363 0.208 50 0 DCAARN C[C@@H](C(=O)Nc1ccccn1)N1CCN(c2nc[nH]n2)CC1 ZINC000244811783 202500798 /nfs/dbraw/zinc/50/07/98/202500798.db2.gz SLCLNAZYUFFIRL-NSHDSACASA-N 0 0 301.354 0.349 50 0 DCAARN COc1ccc([C@H](NC(=O)c2[nH]nnc2C)[C@H]2C[C@@H](O)C2)cn1 ZINC000244873027 202505330 /nfs/dbraw/zinc/50/53/30/202505330.db2.gz WIXNHXFYPJQNEI-WDMOLILDSA-N 0 0 317.349 0.759 50 0 DCAARN COC(=O)CCn1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O ZINC000006660968 181366599 /nfs/dbraw/zinc/36/65/99/181366599.db2.gz RKJWCYLCKAWHCC-UHFFFAOYSA-N 0 0 320.305 0.121 50 0 DCAARN O=C1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(=O)N1 ZINC000006784438 181387682 /nfs/dbraw/zinc/38/76/82/181387682.db2.gz OQHBEOPUICFFOS-VIFPVBQESA-N 0 0 302.739 0.424 50 0 DCAARN O=C(Cn1ncn2cccc2c1=O)NCc1cccc(F)c1 ZINC000006799506 181390510 /nfs/dbraw/zinc/39/05/10/181390510.db2.gz KHSYIYMLUPNPSX-UHFFFAOYSA-N 0 0 300.293 0.952 50 0 DCAARN O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(Cc1ncc[nH]1)C2 ZINC000091304208 193036487 /nfs/dbraw/zinc/03/64/87/193036487.db2.gz ZNXYGOBUQDDUTL-CHWSQXEVSA-N 0 0 312.377 0.936 50 0 DCAARN COCc1ncc(-c2cn(CCN3CCCC3=O)nn2)cn1 ZINC000091365191 193046279 /nfs/dbraw/zinc/04/62/79/193046279.db2.gz SZROPISNVFGTPB-UHFFFAOYSA-N 0 0 302.338 0.504 50 0 DCAARN Cn1cc(C(=O)N[C@H]2C[N@H+](CCC(=O)[O-])C[C@@H]2C2CC2)cn1 ZINC000091434372 193054985 /nfs/dbraw/zinc/05/49/85/193054985.db2.gz GCYJUQAWWRMVHS-OLZOCXBDSA-N 0 0 306.366 0.335 50 0 DCAARN Cc1cccnc1N1CCN(C(=O)c2ccc3nnnn3c2)CC1 ZINC000091562657 193073230 /nfs/dbraw/zinc/07/32/30/193073230.db2.gz RRYWZUPAMZVLJU-UHFFFAOYSA-N 0 0 323.360 0.790 50 0 DCAARN COCC[C@]1(O)CCN(C(=O)CCc2cnn(C)c2)C[C@H]1C ZINC000091468961 193060484 /nfs/dbraw/zinc/06/04/84/193060484.db2.gz BKCAIOQTZIQOBX-CZUORRHYSA-N 0 0 309.410 0.989 50 0 DCAARN CC(=O)N[C@@H]1CN(S(=O)(=O)N(C)C)C[C@H]1c1ccc(C)o1 ZINC000091650088 193084777 /nfs/dbraw/zinc/08/47/77/193084777.db2.gz FGIFFMTVWMMHPS-VXGBXAGGSA-N 0 0 315.395 0.298 50 0 DCAARN CCc1nc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)no1 ZINC000091656417 193086090 /nfs/dbraw/zinc/08/60/90/193086090.db2.gz SYLFZXNMRXJJQI-UHFFFAOYSA-N 0 0 322.409 0.829 50 0 DCAARN Cc1cc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c(=O)[nH]c1C ZINC000091663299 193087038 /nfs/dbraw/zinc/08/70/38/193087038.db2.gz VGGFXHLATGQMBN-AWEZNQCLSA-N 0 0 319.405 0.929 50 0 DCAARN CCNc1ncc(C(=O)N2CCc3nc[nH]c(=O)c3CC2)cn1 ZINC000091690135 193091086 /nfs/dbraw/zinc/09/10/86/193091086.db2.gz DCLXMHGEFKCGEC-UHFFFAOYSA-N 0 0 314.349 0.233 50 0 DCAARN Nc1cc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)ccn1 ZINC000091746964 193101263 /nfs/dbraw/zinc/10/12/63/193101263.db2.gz MXBPKIXUGNSCHH-OLZOCXBDSA-N 0 0 321.377 0.028 50 0 DCAARN CC(C)c1noc(CCNC(=O)[C@@H]2CCCN(C(N)=O)C2)n1 ZINC000091626413 193081838 /nfs/dbraw/zinc/08/18/38/193081838.db2.gz ZUFINNLMTOPGQD-SNVBAGLBSA-N 0 0 309.370 0.642 50 0 DCAARN CCC[C@@]1(CO)CCCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC000091876468 193121925 /nfs/dbraw/zinc/12/19/25/193121925.db2.gz HTQAYLDVECPEED-MRXNPFEDSA-N 0 0 323.393 0.315 50 0 DCAARN O=C(NCCc1cc(=O)[nH]cn1)c1cc(=O)[nH]c2ccccc21 ZINC000091877276 193122045 /nfs/dbraw/zinc/12/20/45/193122045.db2.gz BKERVPSEOXMCDQ-UHFFFAOYSA-N 0 0 310.313 0.584 50 0 DCAARN O=C([C@@H]1CNC(=O)N1)N1CCC2(CCC(=O)N(C3CC3)C2)CC1 ZINC000091987563 193137601 /nfs/dbraw/zinc/13/76/01/193137601.db2.gz NKYRFRUWXPOBPX-LBPRGKRZSA-N 0 0 320.393 0.061 50 0 DCAARN O=C(NCCO)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000092002889 193139515 /nfs/dbraw/zinc/13/95/15/193139515.db2.gz ICBPVRWCLCWXFZ-HNNXBMFYSA-N 0 0 304.390 0.966 50 0 DCAARN CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)c1cccn1C ZINC000092020665 193143648 /nfs/dbraw/zinc/14/36/48/193143648.db2.gz APPRBCDQOAZEQD-RYUDHWBXSA-N 0 0 313.423 0.815 50 0 DCAARN CCc1c(C)cc(C(=O)N2CCS(=O)(=O)CC2)c(=O)n1C ZINC000215846535 201471318 /nfs/dbraw/zinc/47/13/18/201471318.db2.gz KKZQVYJYLIVNAF-UHFFFAOYSA-N 0 0 312.391 0.127 50 0 DCAARN CSc1ncc(C(=O)N2CCN(c3cnccn3)CC2)cn1 ZINC000220101395 201570972 /nfs/dbraw/zinc/57/09/72/201570972.db2.gz HDSVKXRITLQNQU-UHFFFAOYSA-N 0 0 316.390 0.951 50 0 DCAARN Cc1ncnc(N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)c1C ZINC000220433859 201576604 /nfs/dbraw/zinc/57/66/04/201576604.db2.gz KGJMNGLIQBFEMB-UHFFFAOYSA-N 0 0 314.349 0.551 50 0 DCAARN O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000299770159 304138092 /nfs/dbraw/zinc/13/80/92/304138092.db2.gz QTNQWDLMPHUNMM-ILXRZTDVSA-N 0 0 318.373 0.697 50 0 DCAARN CCO[C@@H]1COCC[C@H]1NC(=O)c1cccc(-n2cnnc2)n1 ZINC000222809151 201623900 /nfs/dbraw/zinc/62/39/00/201623900.db2.gz WKUFWFLARVMWAH-DGCLKSJQSA-N 0 0 317.349 0.586 50 0 DCAARN Cc1nc(CN2CCNC(=O)[C@H]2c2cccc(F)c2)n(C)n1 ZINC000252499442 202853688 /nfs/dbraw/zinc/85/36/88/202853688.db2.gz SAQGVPOJJFTYCH-CQSZACIVSA-N 0 0 303.341 0.936 50 0 DCAARN COC(=O)[C@@H](C)NC(=O)Cn1nc2c(cc1=O)CCCCC2 ZINC000252511343 202861813 /nfs/dbraw/zinc/86/18/13/202861813.db2.gz ZZWPOGHUQSKKKL-SNVBAGLBSA-N 0 0 307.350 0.190 50 0 DCAARN COCCNC(=O)c1nnn2c1CO[C@@H](c1ccccc1)C2 ZINC000263619134 203487412 /nfs/dbraw/zinc/48/74/12/203487412.db2.gz XDPCQUCRXSJUMG-CYBMUJFWSA-N 0 0 302.334 0.926 50 0 DCAARN COc1cccc2c1OC[C@@H](CNC(=O)CN1CCCC1=O)C2 ZINC000095363799 193432585 /nfs/dbraw/zinc/43/25/85/193432585.db2.gz VKMRDYBRPKZWMK-GFCCVEGCSA-N 0 0 318.373 0.985 50 0 DCAARN O=C([C@@H]1CC(=O)N(Cc2cccnc2)C1)N1CCCOCC1 ZINC000095378782 193438609 /nfs/dbraw/zinc/43/86/09/193438609.db2.gz COTLAODECSLQNK-CQSZACIVSA-N 0 0 303.362 0.679 50 0 DCAARN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(C)CC(N)=O ZINC000095949385 193456367 /nfs/dbraw/zinc/45/63/67/193456367.db2.gz SOYKMJXCROHHPU-AWEZNQCLSA-N 0 0 303.362 0.466 50 0 DCAARN Cc1nc(C(=O)N2CCOCC2)cc(N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000096182765 193562258 /nfs/dbraw/zinc/56/22/58/193562258.db2.gz NKZVLIHDSSKSQU-RYUDHWBXSA-N 0 0 320.393 0.871 50 0 DCAARN Cn1ccnc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000008230014 181538075 /nfs/dbraw/zinc/53/80/75/181538075.db2.gz BHRJUVPPJUAZKU-UHFFFAOYSA-N 0 0 321.362 0.162 50 0 DCAARN CN1c2ccccc2[C@H](NC(=O)C(=O)NCc2ccccn2)C1=O ZINC000009303442 181611730 /nfs/dbraw/zinc/61/17/30/181611730.db2.gz XNLYFFBZUFWIPW-AWEZNQCLSA-N 0 0 324.340 0.532 50 0 DCAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC[C@H]1CCCO1 ZINC000009835231 181643169 /nfs/dbraw/zinc/64/31/69/181643169.db2.gz UECGOCLUTDOUBT-LLVKDONJSA-N 0 0 309.366 0.536 50 0 DCAARN CCCCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C ZINC000012551617 181775532 /nfs/dbraw/zinc/77/55/32/181775532.db2.gz USKPLHRGRMWYLC-UHFFFAOYSA-N 0 0 315.171 0.996 50 0 DCAARN Cc1ccccc1-n1nnnc1SCC(=O)N1CCNC1=O ZINC000014093230 181924229 /nfs/dbraw/zinc/92/42/29/181924229.db2.gz WBUXEVAZYDTNAG-UHFFFAOYSA-N 0 0 318.362 0.615 50 0 DCAARN NC(=O)[C@H]1CCCCN1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000014183500 181934075 /nfs/dbraw/zinc/93/40/75/181934075.db2.gz HFTMVQPZIBQRSC-LLVKDONJSA-N 0 0 305.334 0.694 50 0 DCAARN CN(C)S(=O)(=O)N[C@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000014963374 181978875 /nfs/dbraw/zinc/97/88/75/181978875.db2.gz APAQDILNBKCSBD-NSHDSACASA-N 0 0 303.428 0.706 50 0 DCAARN O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000252481477 304171210 /nfs/dbraw/zinc/17/12/10/304171210.db2.gz CMVXGCCFAWONOH-HZSPNIEDSA-N 0 0 320.393 0.786 50 0 DCAARN Cc1cc2n(n1)CCC(=O)N2CC(=O)NCCCOC(C)C ZINC000015728757 182013755 /nfs/dbraw/zinc/01/37/55/182013755.db2.gz BTKOHAMICOISTL-UHFFFAOYSA-N 0 0 308.382 0.860 50 0 DCAARN CNC(=O)COC(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000017152185 182077714 /nfs/dbraw/zinc/07/77/14/182077714.db2.gz QZTUVHAPKJPEOT-UHFFFAOYSA-N 0 0 315.285 0.432 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cncn1-c1ccccc1 ZINC000017636844 182085271 /nfs/dbraw/zinc/08/52/71/182085271.db2.gz CKDYIHSLCHKXFR-LLVKDONJSA-N 0 0 305.359 0.789 50 0 DCAARN CCCN1C(=O)NC2(CCN(S(=O)(=O)CCC)CC2)C1=O ZINC000017271911 182081064 /nfs/dbraw/zinc/08/10/64/182081064.db2.gz SCLKWOLFSHDKSU-UHFFFAOYSA-N 0 0 317.411 0.523 50 0 DCAARN CCOC(=O)[C@H](N)CS[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000018143050 182094709 /nfs/dbraw/zinc/09/47/09/182094709.db2.gz PUEJXRMYHGJBIJ-NEPJUHHUSA-N 0 0 322.386 0.942 50 0 DCAARN O=C(NCCCN1CCOCC1)C(=O)Nc1ccc(F)cc1 ZINC000019782338 182148141 /nfs/dbraw/zinc/14/81/41/182148141.db2.gz LJEAFCGOWKEYJZ-UHFFFAOYSA-N 0 0 309.341 0.603 50 0 DCAARN O=C(NC[C@@H]1COCCO1)[C@H]1CC(=O)N(c2cccc(O)c2)C1 ZINC000019794917 182150340 /nfs/dbraw/zinc/15/03/40/182150340.db2.gz YQRSNYJIMQDTSQ-SMDDNHRTSA-N 0 0 320.345 0.277 50 0 DCAARN COc1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1 ZINC000019831208 182154368 /nfs/dbraw/zinc/15/43/68/182154368.db2.gz BSOGHSWBPMOANF-UHFFFAOYSA-N 0 0 321.377 0.472 50 0 DCAARN Cc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000019929898 182166116 /nfs/dbraw/zinc/16/61/16/182166116.db2.gz BQKGGVJSQRGUSI-AWEZNQCLSA-N 0 0 315.373 0.824 50 0 DCAARN CCOC(=O)c1[nH]c(C)c(C(=O)NCCN2CCOCC2)c1C ZINC000020356156 182210901 /nfs/dbraw/zinc/21/09/01/182210901.db2.gz KLDYAKQJFYRBBG-UHFFFAOYSA-N 0 0 323.393 0.870 50 0 DCAARN CCOc1ccc(C(=O)NCCNC(=O)c2nonc2N)cc1 ZINC000020899732 182252656 /nfs/dbraw/zinc/25/26/56/182252656.db2.gz GFIRNAZSAZIUQK-UHFFFAOYSA-N 0 0 319.321 0.210 50 0 DCAARN CCS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1 ZINC000021009660 182259263 /nfs/dbraw/zinc/25/92/63/182259263.db2.gz DULLCAGLVSYBLA-UHFFFAOYSA-N 0 0 324.402 0.831 50 0 DCAARN O=C(c1ccc2c(c1)CCC2)N1CCC2(CC1)NC(=O)NC2=O ZINC000021473780 182274069 /nfs/dbraw/zinc/27/40/69/182274069.db2.gz YLMCCSNSCCQCKY-UHFFFAOYSA-N 0 0 313.357 0.990 50 0 DCAARN COc1ccccc1C1=NO[C@H](C(=O)N2CCN(C)CC2)C1 ZINC000021778843 182288569 /nfs/dbraw/zinc/28/85/69/182288569.db2.gz NBSSCKBILKSZMN-HNNXBMFYSA-N 0 0 303.362 0.962 50 0 DCAARN CC1CCN(C(=O)Cn2c3ccccc3n(C)c(=O)c2=O)CC1 ZINC000021943619 182299626 /nfs/dbraw/zinc/29/96/26/182299626.db2.gz ADOSQXZJLFRAGT-UHFFFAOYSA-N 0 0 315.373 0.959 50 0 DCAARN O=C(CNC(=O)c1ccco1)NCC(=O)Nc1ccncc1 ZINC000022260619 182315789 /nfs/dbraw/zinc/31/57/89/182315789.db2.gz IRSWTRGCKFBCEL-UHFFFAOYSA-N 0 0 302.290 0.159 50 0 DCAARN Cc1ccc(C(=O)NCC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000022550336 182326312 /nfs/dbraw/zinc/32/63/12/182326312.db2.gz ASTYVJZGXPDEGH-OAHLLOKOSA-N 0 0 324.402 0.418 50 0 DCAARN CCC(=O)NCCCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000022471101 182322931 /nfs/dbraw/zinc/32/29/31/182322931.db2.gz CSCWOCOBKWUVLA-UHFFFAOYSA-N 0 0 302.334 0.569 50 0 DCAARN C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCN(CCO)CC1 ZINC000022817840 182335743 /nfs/dbraw/zinc/33/57/43/182335743.db2.gz UACBTVPKWHXBBD-ZDUSSCGKSA-N 0 0 309.385 0.440 50 0 DCAARN O=c1ccc(=O)n(CN2CC[NH+](Cc3ccccc3)CC2)[n-]1 ZINC000022874088 182338630 /nfs/dbraw/zinc/33/86/30/182338630.db2.gz YNFAPDZMRDLLNE-UHFFFAOYSA-N 0 0 300.362 0.724 50 0 DCAARN O=C(Nc1nc[nH]n1)c1ccccc1CN1C(=O)CNC1=O ZINC000023141166 182350617 /nfs/dbraw/zinc/35/06/17/182350617.db2.gz BYCUMTNYGPEKFG-UHFFFAOYSA-N 0 0 300.278 0.109 50 0 DCAARN CC(C)C(=O)NCCNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000023326826 182357455 /nfs/dbraw/zinc/35/74/55/182357455.db2.gz DBAITMAQUXITBP-GFCCVEGCSA-N 0 0 309.410 0.666 50 0 DCAARN Cn1ccnc1CN1CCN(C(=O)Nc2nncs2)CC1 ZINC000023581802 182364029 /nfs/dbraw/zinc/36/40/29/182364029.db2.gz ACJKNBLOOBAEGK-UHFFFAOYSA-N 0 0 307.383 0.621 50 0 DCAARN O=C1N[C@@]2(CCSC2)C(=O)N1C[C@H](O)COc1ccccc1 ZINC000024096840 182375059 /nfs/dbraw/zinc/37/50/59/182375059.db2.gz IXUYFPKIRPFBRI-XHDPSFHLSA-N 0 0 322.386 0.854 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)Cn1nnc2ccccc2c1=O ZINC000024807204 182391757 /nfs/dbraw/zinc/39/17/57/182391757.db2.gz VFKFFLGUZWMZKK-LLVKDONJSA-N 0 0 312.333 0.193 50 0 DCAARN Cn1nccc1CNC(=O)CNS(=O)(=O)c1cccs1 ZINC000024650555 182385833 /nfs/dbraw/zinc/38/58/33/182385833.db2.gz FZUCXIYTIXCDOX-UHFFFAOYSA-N 0 0 314.392 0.076 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCc1ccccc1F ZINC000025022765 182399757 /nfs/dbraw/zinc/39/97/57/182399757.db2.gz XRAGHYYTKJNFQN-CYBMUJFWSA-N 0 0 322.336 0.648 50 0 DCAARN CN(C(=O)c1ccc(-n2ccnc2)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000024970920 182397007 /nfs/dbraw/zinc/39/70/07/182397007.db2.gz OQICLXVOMVYJRL-GFCCVEGCSA-N 0 0 320.374 0.526 50 0 DCAARN O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCNC(=O)C1 ZINC000028630588 182531721 /nfs/dbraw/zinc/53/17/21/182531721.db2.gz NTCQBECEIQARTA-CQSZACIVSA-N 0 0 304.346 0.816 50 0 DCAARN CC(C)NC(=O)NC(=O)CSc1nnc(C(C)(C)C)n1N ZINC000028789902 182539212 /nfs/dbraw/zinc/53/92/12/182539212.db2.gz ZPVPGJFYIOLPNZ-UHFFFAOYSA-N 0 0 314.415 0.616 50 0 DCAARN CCN(Cc1ccco1)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000029497277 182568347 /nfs/dbraw/zinc/56/83/47/182568347.db2.gz WMBPXRNVLNTLCL-UHFFFAOYSA-N 0 0 315.395 0.544 50 0 DCAARN Cc1nn(C)c2ncc(NC(=O)C3=NN(C)C(=O)CC3)cc12 ZINC000030805137 182598066 /nfs/dbraw/zinc/59/80/66/182598066.db2.gz AYUSNACRGURTQX-UHFFFAOYSA-N 0 0 300.322 0.823 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000031398880 182613016 /nfs/dbraw/zinc/61/30/16/182613016.db2.gz KJFBTJQKGLIWCE-NSHDSACASA-N 0 0 314.411 0.059 50 0 DCAARN C[C@H]1C[C@@H]1C(=O)NCCC(=O)N1CCN(c2nccs2)CC1 ZINC000031537500 182615083 /nfs/dbraw/zinc/61/50/83/182615083.db2.gz AAOXOMDJANNKQZ-RYUDHWBXSA-N 0 0 322.434 0.954 50 0 DCAARN Cc1ccc(OC[C@H](O)Cn2c3ncnn3c(=O)cc2C)cc1 ZINC000032932970 182683120 /nfs/dbraw/zinc/68/31/20/182683120.db2.gz ZGKPSPFHVWGFSR-CYBMUJFWSA-N 0 0 314.345 0.948 50 0 DCAARN NC(=O)Nc1ccc(CNC(=O)CN2CSCC2=O)cc1 ZINC000036391980 182823334 /nfs/dbraw/zinc/82/33/34/182823334.db2.gz SXQNXVGVNMRVRE-UHFFFAOYSA-N 0 0 308.363 0.326 50 0 DCAARN Cc1cc(S(=O)(=O)N(C)CC(N)=O)ccc1Br ZINC000037408609 182888703 /nfs/dbraw/zinc/88/87/03/182888703.db2.gz VAZBWFGTGFDSPW-UHFFFAOYSA-N 0 0 321.196 0.863 50 0 DCAARN O=c1c(=O)c(NCc2ccccc2)c1NCCN1CCOCC1 ZINC000101658795 193832708 /nfs/dbraw/zinc/83/27/08/193832708.db2.gz YJEJDNHLZOMHDK-UHFFFAOYSA-N 0 0 315.373 0.639 50 0 DCAARN O=C([C@H]1C[C@H]1c1ccccc1)N1CCC2(CC1)NC(=O)NC2=O ZINC000065488007 284589132 /nfs/dbraw/zinc/58/91/32/284589132.db2.gz VAMKNKSOHYFQME-STQMWFEESA-N 0 0 313.357 0.991 50 0 DCAARN O=C(NCc1cccnc1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000040012848 183028329 /nfs/dbraw/zinc/02/83/29/183028329.db2.gz JUAGDYVGQPWGFS-UHFFFAOYSA-N 0 0 318.358 0.195 50 0 DCAARN Cn1ccc(C(=O)NCc2ccc(Cn3cncn3)cc2)cc1=O ZINC000040059885 183030727 /nfs/dbraw/zinc/03/07/27/183030727.db2.gz JCHGQECHBILPRZ-UHFFFAOYSA-N 0 0 323.356 0.955 50 0 DCAARN CCOC(=O)N1CCC(NC(=O)c2c(C)c(C)n[nH]c2=O)CC1 ZINC000040139445 183039301 /nfs/dbraw/zinc/03/93/01/183039301.db2.gz MHJUQFRUPQSKQK-UHFFFAOYSA-N 0 0 322.365 0.737 50 0 DCAARN CNC(=O)[C@@H](C)OC(=O)c1sccc1NS(C)(=O)=O ZINC000040138917 183039379 /nfs/dbraw/zinc/03/93/79/183039379.db2.gz YHNWCXLOHMIASP-ZCFIWIBFSA-N 0 0 306.365 0.411 50 0 DCAARN Cc1cc(CN2CCN(C(=O)CN3CCSC3=O)CC2)on1 ZINC000040475622 183073989 /nfs/dbraw/zinc/07/39/89/183073989.db2.gz GOGUXFRJHHWYFD-UHFFFAOYSA-N 0 0 324.406 0.796 50 0 DCAARN C[C@@H]1CN(C(=O)COc2cccc(S(C)(=O)=O)c2)CCO1 ZINC000040538778 183096018 /nfs/dbraw/zinc/09/60/18/183096018.db2.gz KOLSFEJBNYXEOE-LLVKDONJSA-N 0 0 313.375 0.716 50 0 DCAARN NS(=O)(=O)N1CCC[C@H]1C(=O)NC1CCCCCCC1 ZINC000040539327 183096042 /nfs/dbraw/zinc/09/60/42/183096042.db2.gz JTWXQWQUXLWSAW-LBPRGKRZSA-N 0 0 303.428 0.883 50 0 DCAARN O=C(Nc1ccc(-n2cncn2)nc1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000040497001 183081400 /nfs/dbraw/zinc/08/14/00/183081400.db2.gz YVPNYGDBOFNSLE-JTQLQIEISA-N 0 0 312.333 0.612 50 0 DCAARN C[C@H](Oc1ccc(S(C)(=O)=O)cc1)C(=O)N1CCNC1=O ZINC000040500948 183083648 /nfs/dbraw/zinc/08/36/48/183083648.db2.gz GSKWDVMQEVHIBP-VIFPVBQESA-N 0 0 312.347 0.409 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000040509313 183086065 /nfs/dbraw/zinc/08/60/65/183086065.db2.gz GXQISEURYCHRJT-NEPJUHHUSA-N 0 0 322.386 0.343 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000040509311 183086154 /nfs/dbraw/zinc/08/61/54/183086154.db2.gz GXQISEURYCHRJT-NWDGAFQWSA-N 0 0 322.386 0.343 50 0 DCAARN C[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000040528148 183093553 /nfs/dbraw/zinc/09/35/53/183093553.db2.gz ZKSRRVYVHFHFDW-SNVBAGLBSA-N 0 0 320.361 0.964 50 0 DCAARN CNC(=O)[C@H](C)S(=O)(=O)Cc1cc(C(C)=O)ccc1OC ZINC000040528620 183093558 /nfs/dbraw/zinc/09/35/58/183093558.db2.gz WHYLBQQWTHORPN-JTQLQIEISA-N 0 0 313.375 0.947 50 0 DCAARN O=C(CCc1nc(Cc2ccccc2)no1)N1CCNC(=O)C1 ZINC000040529622 183094062 /nfs/dbraw/zinc/09/40/62/183094062.db2.gz GKHNLGMBJLCNDP-UHFFFAOYSA-N 0 0 314.345 0.551 50 0 DCAARN COCC(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000040542304 183098676 /nfs/dbraw/zinc/09/86/76/183098676.db2.gz ADBZYNXXPJPSBF-UHFFFAOYSA-N 0 0 320.389 0.945 50 0 DCAARN Cc1cc(C)n2nc(C(=O)N3CCC(CC(N)=O)CC3)nc2n1 ZINC000040542721 183098745 /nfs/dbraw/zinc/09/87/45/183098745.db2.gz VKWJXHJMELXOSW-UHFFFAOYSA-N 0 0 316.365 0.469 50 0 DCAARN Cn1c(Cn2nc(-c3ccccc3)ccc2=O)cc(=O)n(C)c1=O ZINC000040555858 183101732 /nfs/dbraw/zinc/10/17/32/183101732.db2.gz VSUDGIBGEMDTIG-UHFFFAOYSA-N 0 0 324.340 0.356 50 0 DCAARN COc1ccccc1OCC(=O)N[C@@H](C)C(=O)N1CCOCC1 ZINC000041248207 183181647 /nfs/dbraw/zinc/18/16/47/183181647.db2.gz OYGMEMPTAUAFOQ-LBPRGKRZSA-N 0 0 322.361 0.438 50 0 DCAARN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)NC1CC1 ZINC000041098127 183165373 /nfs/dbraw/zinc/16/53/73/183165373.db2.gz JKMHLJZEWPQVCP-VXGBXAGGSA-N 0 0 315.373 0.823 50 0 DCAARN COc1cc(C(=O)NC[C@H]2CCOC2)ccc1OCC(N)=O ZINC000041372262 183187125 /nfs/dbraw/zinc/18/71/25/183187125.db2.gz JEOIKEAULLDKSN-SNVBAGLBSA-N 0 0 308.334 0.326 50 0 DCAARN O=C(Cn1nnc(COc2ccccc2)n1)NC[C@@H]1CCOC1 ZINC000041938884 183225835 /nfs/dbraw/zinc/22/58/35/183225835.db2.gz UATRKAGTAMMULG-LBPRGKRZSA-N 0 0 317.349 0.405 50 0 DCAARN O=C(COc1ccccc1F)NC[C@@H]1CCS(=O)(=O)C1 ZINC000042383761 183262506 /nfs/dbraw/zinc/26/25/06/183262506.db2.gz SYSJXSSABNGPJM-JTQLQIEISA-N 0 0 301.339 0.755 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000042384430 183262596 /nfs/dbraw/zinc/26/25/96/183262596.db2.gz QOTCFFAKSIKPCP-SECBINFHSA-N 0 0 308.381 0.004 50 0 DCAARN CO[C@@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)c1ccccc1 ZINC000042750967 183305345 /nfs/dbraw/zinc/30/53/45/183305345.db2.gz RFOZSVONHOPHQI-NEPJUHHUSA-N 0 0 305.334 0.479 50 0 DCAARN Cn1cc(CCNC(=O)NCc2nnc3n2CCCCC3)cn1 ZINC000043779794 183385569 /nfs/dbraw/zinc/38/55/69/183385569.db2.gz JDTXTEYQOBNQQB-UHFFFAOYSA-N 0 0 317.397 0.780 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)NC[C@H]1CCS(=O)(=O)C1 ZINC000044457224 183410824 /nfs/dbraw/zinc/41/08/24/183410824.db2.gz HSYAYJVTFNSGQM-SNVBAGLBSA-N 0 0 324.358 0.145 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000044158668 183397178 /nfs/dbraw/zinc/39/71/78/183397178.db2.gz HLSDHFWUSCMVMN-UHFFFAOYSA-N 0 0 308.363 0.280 50 0 DCAARN COc1cccc(CNC(=O)[C@H]2CCCN2S(C)(=O)=O)c1 ZINC000044873901 183445830 /nfs/dbraw/zinc/44/58/30/183445830.db2.gz RXTDMKPYIDJWSO-CYBMUJFWSA-N 0 0 312.391 0.735 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)Nc2ccccc21 ZINC000044894784 183450751 /nfs/dbraw/zinc/45/07/51/183450751.db2.gz KGIKJVUPDROMIJ-ONGXEEELSA-N 0 0 308.359 0.416 50 0 DCAARN C[C@@]12CCC(=O)N1[C@H](C(=O)NCCCn1cccn1)CS2 ZINC000045936219 183537742 /nfs/dbraw/zinc/53/77/42/183537742.db2.gz GSWVBXSZXAXAGA-SMDDNHRTSA-N 0 0 308.407 0.843 50 0 DCAARN CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@H](C)[NH3+])C(C)C)C(=O)[O-] ZINC000105729728 194122178 /nfs/dbraw/zinc/12/21/78/194122178.db2.gz RFJNDTQGEJRBHO-GARJFASQSA-N 0 0 301.387 0.090 50 0 DCAARN COC(=O)C1(NS(=O)(=O)c2cnn(C)c2)CCCCC1 ZINC000048009998 183614206 /nfs/dbraw/zinc/61/42/06/183614206.db2.gz FZAOKCOLPBRKPD-UHFFFAOYSA-N 0 0 301.368 0.574 50 0 DCAARN C[C@H](C(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1)n1cccn1 ZINC000106066240 194184205 /nfs/dbraw/zinc/18/42/05/194184205.db2.gz QPJAJKFOCYWIJB-QLFBSQMISA-N 0 0 322.409 0.298 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000106570494 194232460 /nfs/dbraw/zinc/23/24/60/194232460.db2.gz GIVLSITXVLGBBE-VXGBXAGGSA-N 0 0 303.366 0.027 50 0 DCAARN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NC(C(N)=O)C(N)=O ZINC000056405796 184012479 /nfs/dbraw/zinc/01/24/79/184012479.db2.gz OTUZZQWGIPWXND-JTQLQIEISA-N 0 0 321.377 0.341 50 0 DCAARN C[C@H]1CN(C(=O)c2cc(OCC(=O)N(C)C)n(C)n2)C[C@H](C)O1 ZINC000057312690 184032935 /nfs/dbraw/zinc/03/29/35/184032935.db2.gz XEYDDMDZDPLGSV-QWRGUYRKSA-N 0 0 324.381 0.137 50 0 DCAARN CS(=O)(=O)c1ncc(S(=O)(=O)c2ccccc2)c(N)n1 ZINC000057478024 184039837 /nfs/dbraw/zinc/03/98/37/184039837.db2.gz PGDAYYACWTVDLV-UHFFFAOYSA-N 0 0 313.360 0.295 50 0 DCAARN COCCOCC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000058173228 184084292 /nfs/dbraw/zinc/08/42/92/184084292.db2.gz AJRYZPDIYRXXIT-UHFFFAOYSA-N 0 0 320.342 0.799 50 0 DCAARN NC(=O)CCn1nc(-c2ccc3c(c2)OCCCO3)ccc1=O ZINC000058202044 184087413 /nfs/dbraw/zinc/08/74/13/184087413.db2.gz QWYOTYYYMUNZJY-UHFFFAOYSA-N 0 0 315.329 0.947 50 0 DCAARN COc1ccc(CCC(=O)N2CCN([C@@H](C)C(N)=O)CC2)cc1 ZINC000058225178 184090192 /nfs/dbraw/zinc/09/01/92/184090192.db2.gz TXYWVGDTMMVSCJ-ZDUSSCGKSA-N 0 0 319.405 0.646 50 0 DCAARN COCCCNC(=O)Cn1c(=O)onc1-c1ccccc1C ZINC000058378420 184110367 /nfs/dbraw/zinc/11/03/67/184110367.db2.gz GLIHLLBEFWZRMK-UHFFFAOYSA-N 0 0 305.334 0.964 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000058246531 184094285 /nfs/dbraw/zinc/09/42/85/184094285.db2.gz KGKDZUBJAOFQFF-UHFFFAOYSA-N 0 0 324.761 0.602 50 0 DCAARN O=C(NC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1)c1ccoc1 ZINC000058264177 184095631 /nfs/dbraw/zinc/09/56/31/184095631.db2.gz IKZDKEVACLSDSZ-UHFFFAOYSA-N 0 0 316.317 0.810 50 0 DCAARN CCNC(=O)NC(=O)CN1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000058264977 184095717 /nfs/dbraw/zinc/09/57/17/184095717.db2.gz PMCQXQGCLAXVJM-GFCCVEGCSA-N 0 0 310.398 0.309 50 0 DCAARN CCCNC(=O)NC(=O)CN1C=Nc2ccccc2S1(=O)=O ZINC000058293079 184101287 /nfs/dbraw/zinc/10/12/87/184101287.db2.gz JNCPFMRPWLANRX-UHFFFAOYSA-N 0 0 324.362 0.587 50 0 DCAARN CN(Cc1ccco1)C(=O)Cn1c(=O)onc1-c1ncccn1 ZINC000058292968 184101638 /nfs/dbraw/zinc/10/16/38/184101638.db2.gz XPLPKKISVOVFNQ-UHFFFAOYSA-N 0 0 315.289 0.545 50 0 DCAARN CN(C)S(=O)(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000058304571 184103030 /nfs/dbraw/zinc/10/30/30/184103030.db2.gz HYAHBAKDCOXRGT-ZDUSSCGKSA-N 0 0 311.407 0.687 50 0 DCAARN C[C@H]1CCCN(S(=O)(=O)NCCCN2CCOCC2)C1 ZINC000058723602 184127017 /nfs/dbraw/zinc/12/70/17/184127017.db2.gz VGBYAOPGOZLOGH-ZDUSSCGKSA-N 0 0 305.444 0.275 50 0 DCAARN COCCNC(=O)CN(C)CC(=O)Nc1cccc(OC)c1 ZINC000058764756 184128530 /nfs/dbraw/zinc/12/85/30/184128530.db2.gz DHYPQRUJIXIIHP-UHFFFAOYSA-N 0 0 309.366 0.328 50 0 DCAARN COC(=O)c1cccc(OCCn2cnnc2[S@](C)=O)c1 ZINC000058417992 184115537 /nfs/dbraw/zinc/11/55/37/184115537.db2.gz AZQLDTQZDRXIRT-OAQYLSRUSA-N 0 0 309.347 0.881 50 0 DCAARN C[C@@H]1CN(C(=O)c2ccccc2CN2C(=O)CNC2=O)CCO1 ZINC000058429167 184116781 /nfs/dbraw/zinc/11/67/81/184116781.db2.gz XDAYNSSYDMXSKF-LLVKDONJSA-N 0 0 317.345 0.599 50 0 DCAARN O=C(CNC(=O)c1cccc2n[nH]cc21)NCC(F)(F)F ZINC000058474840 184119997 /nfs/dbraw/zinc/11/99/97/184119997.db2.gz UUYUZWNVFQHQFV-UHFFFAOYSA-N 0 0 300.240 0.971 50 0 DCAARN CC(C)CN(CC(C)C)C(=O)CN1CCS(=O)(=O)CC1 ZINC000059851402 184141538 /nfs/dbraw/zinc/14/15/38/184141538.db2.gz RLPCZAQSEXRILP-UHFFFAOYSA-N 0 0 304.456 0.857 50 0 DCAARN CN(CC(N)=O)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000060564379 184152496 /nfs/dbraw/zinc/15/24/96/184152496.db2.gz UUBVXBUECNBSFC-UHFFFAOYSA-N 0 0 306.318 0.364 50 0 DCAARN C[C@@H](C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)n1cccn1 ZINC000061985444 184199990 /nfs/dbraw/zinc/19/99/90/184199990.db2.gz COXKRJHUSVJLAN-NWDGAFQWSA-N 0 0 314.411 0.232 50 0 DCAARN Cc1onc2c1c(C)nn(CC(=O)NCc1ccccn1)c2=O ZINC000065301767 184323757 /nfs/dbraw/zinc/32/37/57/184323757.db2.gz FFJPTTMONPWHPA-UHFFFAOYSA-N 0 0 313.317 0.713 50 0 DCAARN O=C([C@H]1CCCN(c2nnc3ccccn32)C1)N1CCOCC1 ZINC000065312225 184324317 /nfs/dbraw/zinc/32/43/17/184324317.db2.gz OSXRAHYSEPNVOT-ZDUSSCGKSA-N 0 0 315.377 0.805 50 0 DCAARN COCc1ccc(C(=O)N2CCN3CCNC(=O)[C@H]3C2)s1 ZINC000065372492 184329848 /nfs/dbraw/zinc/32/98/48/184329848.db2.gz HMTMCQKGVYBLFS-LLVKDONJSA-N 0 0 309.391 0.151 50 0 DCAARN C[C@@H](NC(=O)N1CCC(NS(C)(=O)=O)CC1)[C@H]1CCCO1 ZINC000065447681 184346384 /nfs/dbraw/zinc/34/63/84/184346384.db2.gz YWANXNLQRGNZSN-ZYHUDNBSSA-N 0 0 319.427 0.277 50 0 DCAARN Cc1ccc(F)cc1-n1c(CN(C)S(C)(=O)=O)n[nH]c1=O ZINC000065464371 184349394 /nfs/dbraw/zinc/34/93/94/184349394.db2.gz NRROKOPDGLJZNL-UHFFFAOYSA-N 0 0 314.342 0.400 50 0 DCAARN Cc1nc(CC(=O)N2C[C@H]([NH+](C)C)C[C@H]2C(=O)[O-])c(C)s1 ZINC000065529884 184361120 /nfs/dbraw/zinc/36/11/20/184361120.db2.gz FLYCYKDKXWBXIE-PWSUYJOCSA-N 0 0 311.407 0.918 50 0 DCAARN CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc(=O)n(C)n1)CC2 ZINC000065538551 184363279 /nfs/dbraw/zinc/36/32/79/184363279.db2.gz RLNPQULUWKLFRD-SNVBAGLBSA-N 0 0 316.365 0.240 50 0 DCAARN COc1ccc([C@@H](C)NC(=O)CC[C@@H]2NC(=O)NC2=O)cc1F ZINC000065611032 184373336 /nfs/dbraw/zinc/37/33/36/184373336.db2.gz XHTFJVBPYVUPCW-KCJUWKMLSA-N 0 0 323.324 1.000 50 0 DCAARN COCCCNC(=O)CN(C)C(=O)c1ccc(NC2CC2)nc1 ZINC000065605066 184371698 /nfs/dbraw/zinc/37/16/98/184371698.db2.gz URJQRCNEHYYASG-UHFFFAOYSA-N 0 0 320.393 0.881 50 0 DCAARN COCC1(C(=O)N2CCN(CCn3cncn3)CC2)CCC1 ZINC000065501783 184356207 /nfs/dbraw/zinc/35/62/07/184356207.db2.gz YRSCNDMVIZHMEV-UHFFFAOYSA-N 0 0 307.398 0.239 50 0 DCAARN C[C@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)NC2(CCCC2)C1=O ZINC000066313292 184402913 /nfs/dbraw/zinc/40/29/13/184402913.db2.gz MQUVZRZZLWGBGO-MNOVXSKESA-N 0 0 309.366 0.535 50 0 DCAARN Cc1cc(=O)n2nc(NCCC(=O)N3CCOCC3)sc2n1 ZINC000069415228 184512842 /nfs/dbraw/zinc/51/28/42/184512842.db2.gz GIGIGGMEUJJIAS-UHFFFAOYSA-N 0 0 323.378 0.120 50 0 DCAARN O=C1C[C@]2(CCN(c3nccc(C(F)(F)F)n3)C2)C(=O)N1 ZINC000082097968 296351436 /nfs/dbraw/zinc/35/14/36/296351436.db2.gz SLPNRTNDTSHNEQ-NSHDSACASA-N 0 0 300.240 0.738 50 0 DCAARN COC[C@]1(C)NC(=O)N(CC(=O)N2[C@H](C)CCC[C@H]2C)C1=O ZINC000242389376 256604277 /nfs/dbraw/zinc/60/42/77/256604277.db2.gz ZWQZYZBLJVRZLX-HFAKWTLXSA-N 0 0 311.382 0.733 50 0 DCAARN CNC(=O)c1ccc(NC(=O)c2cc(=O)c(OC)c[nH]2)cc1 ZINC000524733503 257214244 /nfs/dbraw/zinc/21/42/44/257214244.db2.gz PBXHGZVXARVKFL-UHFFFAOYSA-N 0 0 301.302 0.995 50 0 DCAARN COc1cncc(O[C@H]2CCCN(C(=O)[C@H]3CCOC3)C2)n1 ZINC000225499976 257214902 /nfs/dbraw/zinc/21/49/02/257214902.db2.gz RECMMEVHCMYMCI-RYUDHWBXSA-N 0 0 307.350 0.892 50 0 DCAARN CNC(=O)C1(C)CCN(C(=O)c2cn(C)c(C)cc2=O)CC1 ZINC000426646950 257245289 /nfs/dbraw/zinc/24/52/89/257245289.db2.gz BOYFXVVPVXQNRA-UHFFFAOYSA-N 0 0 305.378 0.682 50 0 DCAARN O=C(NCCCC1CCCC1)c1cc2n(n1)C[C@@H](O)CNC2=O ZINC000426620284 257245303 /nfs/dbraw/zinc/24/53/03/257245303.db2.gz RXTSQAXEAYJCPY-LBPRGKRZSA-N 0 0 320.393 0.688 50 0 DCAARN O=C(NCC[C@@H]1COc2ccccc2O1)NCc1n[nH]c(=O)[n-]1 ZINC000426563153 257245704 /nfs/dbraw/zinc/24/57/04/257245704.db2.gz SUYIRNPMHASIMD-SECBINFHSA-N 0 0 319.321 0.540 50 0 DCAARN Cc1nc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)nc2c1CCCC2 ZINC000426477836 257249548 /nfs/dbraw/zinc/24/95/48/257249548.db2.gz CXWJRHQTCANUGG-LLVKDONJSA-N 0 0 323.418 0.715 50 0 DCAARN Cc1nn(CCCNC(=O)[C@H](C)N2CCN(C)CC2)c(C)c1C ZINC000426486176 257249738 /nfs/dbraw/zinc/24/97/38/257249738.db2.gz ODICVHXGMJHYSE-INIZCTEOSA-N 0 0 321.469 0.951 50 0 DCAARN Cc1ccn2c(c1)nc(C(=O)NC[C@H]1CN(C)C(=O)CO1)c2F ZINC000426386829 257252683 /nfs/dbraw/zinc/25/26/83/257252683.db2.gz AONNBIWQFIHPEO-JTQLQIEISA-N 0 0 320.324 0.369 50 0 DCAARN Cc1nn(C)c(C(=O)NCCN(C)S(C)(=O)=O)c1Cl ZINC000426387329 257252709 /nfs/dbraw/zinc/25/27/09/257252709.db2.gz UCJRRMIVXFOQDZ-UHFFFAOYSA-N 0 0 308.791 0.003 50 0 DCAARN CCN(CC)c1ncc(Cl)c(C(=O)N2CCNC(=O)C2)n1 ZINC000071831110 184859691 /nfs/dbraw/zinc/85/96/91/184859691.db2.gz GJLKAJAXESBPCW-UHFFFAOYSA-N 0 0 311.773 0.548 50 0 DCAARN O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H]1Cn1cccn1 ZINC000071866404 184875883 /nfs/dbraw/zinc/87/58/83/184875883.db2.gz AXDQMFKRZSNTHC-GXTWGEPZSA-N 0 0 302.378 0.885 50 0 DCAARN O=c1onc(-c2cccnc2)n1CCn1nc2ccccn2c1=O ZINC000069630423 184829204 /nfs/dbraw/zinc/82/92/04/184829204.db2.gz GSXXPDKIULLJAF-UHFFFAOYSA-N 0 0 324.300 0.408 50 0 DCAARN Cn1cccc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c1=O ZINC000074019946 184951654 /nfs/dbraw/zinc/95/16/54/184951654.db2.gz NRHOMDZNXRHDGO-GFCCVEGCSA-N 0 0 303.362 0.972 50 0 DCAARN C[C@@H](OC(=O)C[C@](C)(O)C(F)(F)F)C(=O)N1CCOCC1 ZINC000071916808 184904720 /nfs/dbraw/zinc/90/47/20/184904720.db2.gz AZOJXLOGQRJYGC-KCJUWKMLSA-N 0 0 313.272 0.480 50 0 DCAARN O=C(N[C@@H]1CCc2c1cccc2O)N[C@H]1CCS(=O)(=O)C1 ZINC000071920315 184905969 /nfs/dbraw/zinc/90/59/69/184905969.db2.gz APSHSORLFOKYMB-JOYOIKCWSA-N 0 0 310.375 0.866 50 0 DCAARN COc1ccc(C(=O)N([C@H](C)CS(C)(=O)=O)C2CC2)nn1 ZINC000331908058 533288824 /nfs/dbraw/zinc/28/88/24/533288824.db2.gz COQUCUODTVEAPD-SECBINFHSA-N 0 0 313.379 0.523 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000285228655 131149627 /nfs/dbraw/zinc/14/96/27/131149627.db2.gz YAKBFVAWXNCEOF-YPMHNXCESA-N 0 0 312.366 0.762 50 0 DCAARN COC[C@@H](C)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000028096323 134670017 /nfs/dbraw/zinc/67/00/17/134670017.db2.gz LVOKILKZFOMGOX-LLVKDONJSA-N 0 0 318.381 0.492 50 0 DCAARN CC[C@H](C)NC(=O)CN1CCN(c2nccc(OC)n2)CC1 ZINC000029532159 134674446 /nfs/dbraw/zinc/67/44/46/134674446.db2.gz RIYOKEOTUPYICN-LBPRGKRZSA-N 0 0 307.398 0.522 50 0 DCAARN C[C@@H](C(=O)NCc1cccnc1N1CCOCC1)n1ccnc1 ZINC000045883361 134744792 /nfs/dbraw/zinc/74/47/92/134744792.db2.gz DXQDIDYFWGBWFN-ZDUSSCGKSA-N 0 0 315.377 0.992 50 0 DCAARN CCOC(=O)c1ccc(N2CCN(CC(=O)OC)CC2)nc1 ZINC000047866642 134749749 /nfs/dbraw/zinc/74/97/49/134749749.db2.gz QJJQAJRVKGAYKC-UHFFFAOYSA-N 0 0 307.350 0.553 50 0 DCAARN O=C(NCc1cc[nH]n1)Nc1ccc(N2CCOCC2)nc1 ZINC000065437452 134824949 /nfs/dbraw/zinc/82/49/49/134824949.db2.gz NLRBUUKGXNICML-UHFFFAOYSA-N 0 0 302.338 0.963 50 0 DCAARN Nc1cc(=O)[nH]c(SCc2cc(=O)n3ccsc3n2)n1 ZINC000008231166 395684307 /nfs/dbraw/zinc/68/43/07/395684307.db2.gz MCTGTGLNYABESG-UHFFFAOYSA-N 0 0 307.360 0.714 50 0 DCAARN Cc1ccnc2nc(C(=O)OCC(=O)N3CCCCCC3)nn21 ZINC000008346142 395684419 /nfs/dbraw/zinc/68/44/19/395684419.db2.gz YNESWRZAXAZZAV-UHFFFAOYSA-N 0 0 317.349 0.992 50 0 DCAARN COC(=O)Cc1ccc(NC(=S)NN2CCOCC2)cc1 ZINC000008682426 395684855 /nfs/dbraw/zinc/68/48/55/395684855.db2.gz IRIUCHGWUHCYPA-UHFFFAOYSA-N 0 0 309.391 0.936 50 0 DCAARN C[C@H](O)CN1CC2=C(C1=O)[C@H](c1cccc(F)c1)NC(=O)N2 ZINC000008755405 395684954 /nfs/dbraw/zinc/68/49/54/395684954.db2.gz OCLSWHCROQWDJA-SDBXPKJASA-N 0 0 305.309 0.657 50 0 DCAARN COC(CNC(=O)CNc1nc(Cl)nc2nc[nH]c21)OC ZINC000009050696 395685135 /nfs/dbraw/zinc/68/51/35/395685135.db2.gz IKFULOFBPCQQKP-UHFFFAOYSA-N 0 0 314.733 0.153 50 0 DCAARN NC(=O)COC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000009338097 395685235 /nfs/dbraw/zinc/68/52/35/395685235.db2.gz ZSLUOKNISHJPQS-UHFFFAOYSA-N 0 0 303.274 0.490 50 0 DCAARN O=C(CCNS(=O)(=O)c1ccc(F)cc1)N1CCOCC1 ZINC000009342530 395685242 /nfs/dbraw/zinc/68/52/42/395685242.db2.gz LESBQIWTFAIEOY-UHFFFAOYSA-N 0 0 316.354 0.353 50 0 DCAARN Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCNC(=O)C1 ZINC000009322237 395685269 /nfs/dbraw/zinc/68/52/69/395685269.db2.gz PCFCDOIRMBWWGJ-UHFFFAOYSA-N 0 0 316.405 0.966 50 0 DCAARN CC(=O)N(CCS(=O)(=O)N1CCCC1)Cc1cccnc1 ZINC000009340278 395685284 /nfs/dbraw/zinc/68/52/84/395685284.db2.gz YOPRYVLVCMQAAV-UHFFFAOYSA-N 0 0 311.407 0.856 50 0 DCAARN COc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cn1 ZINC000009314740 395685354 /nfs/dbraw/zinc/68/53/54/395685354.db2.gz CCIFKOXMCOASMK-UHFFFAOYSA-N 0 0 318.333 0.990 50 0 DCAARN CCCn1c(=O)[nH]nc1SCC(=O)NC[C@H]1CCCO1 ZINC000009593996 395685462 /nfs/dbraw/zinc/68/54/62/395685462.db2.gz UHGBUUZPKAWWQO-SECBINFHSA-N 0 0 300.384 0.369 50 0 DCAARN CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H]1CCCO1)C2=O ZINC000009867340 395685713 /nfs/dbraw/zinc/68/57/13/395685713.db2.gz XPHWCNXRPGDZLY-BWBHSNQOSA-N 0 0 323.393 0.782 50 0 DCAARN NC(=O)NCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000011146091 395686320 /nfs/dbraw/zinc/68/63/20/395686320.db2.gz OPZUYWHQLOKVAH-UHFFFAOYSA-N 0 0 316.317 0.816 50 0 DCAARN CC1CCC(NC(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000011240035 395686407 /nfs/dbraw/zinc/68/64/07/395686407.db2.gz CQJVZFUQICGKQS-UHFFFAOYSA-N 0 0 303.366 0.825 50 0 DCAARN Cn1nc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1=O ZINC000012069940 395686935 /nfs/dbraw/zinc/68/69/35/395686935.db2.gz IJBJVCCEHQTKTG-UHFFFAOYSA-N 0 0 316.336 0.882 50 0 DCAARN O=C(CCn1ccc(=O)[nH]c1=O)NCc1nc2ccccc2[nH]1 ZINC000011905137 395687021 /nfs/dbraw/zinc/68/70/21/395687021.db2.gz NNTQCOBIIDSTCR-UHFFFAOYSA-N 0 0 313.317 0.119 50 0 DCAARN Cn1nc(C(=O)N[C@@H]2CC(=O)N(CC(C)(C)C)C2)ccc1=O ZINC000012298523 395687540 /nfs/dbraw/zinc/68/75/40/395687540.db2.gz QQAAWNCJJBEMOP-SNVBAGLBSA-N 0 0 306.366 0.157 50 0 DCAARN COCCN1C[C@@H](C(=O)NCC2(O)CCCCC2)CCC1=O ZINC000012454383 395687677 /nfs/dbraw/zinc/68/76/77/395687677.db2.gz YHSSDNZOBGYPMA-ZDUSSCGKSA-N 0 0 312.410 0.683 50 0 DCAARN COCC(=O)Nc1cccc(NCC(=O)N2CCNC2=O)c1 ZINC000012523261 395687801 /nfs/dbraw/zinc/68/78/01/395687801.db2.gz RNRRUZXSZHQTEH-UHFFFAOYSA-N 0 0 306.322 0.235 50 0 DCAARN COC(=O)C1=CC(c2ccc(OC)cc2)=NS(=O)(=O)N1C ZINC000012847645 395688022 /nfs/dbraw/zinc/68/80/22/395688022.db2.gz QJSLKDMIKHALBN-UHFFFAOYSA-N 0 0 310.331 0.731 50 0 DCAARN C[C@@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C1CC1 ZINC000012818357 395688061 /nfs/dbraw/zinc/68/80/61/395688061.db2.gz WNYARPPWMKWLFU-MRVPVSSYSA-N 0 0 302.334 0.161 50 0 DCAARN CCCOC(=O)N[C@H]1[C@@H](NC(=O)OCCC)N(C)C(=O)N1C ZINC000013116319 395688448 /nfs/dbraw/zinc/68/84/48/395688448.db2.gz FWSWMSADSURGNY-AOOOYVTPSA-N 0 0 316.358 0.908 50 0 DCAARN CCn1nnc2c1ncnc2N1CCN(C(=O)C2CC2)CC1 ZINC000013532979 395688717 /nfs/dbraw/zinc/68/87/17/395688717.db2.gz RVRXEOBNNVIEBG-UHFFFAOYSA-N 0 0 301.354 0.300 50 0 DCAARN Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1Cc1ccco1 ZINC000013815416 395688952 /nfs/dbraw/zinc/68/89/52/395688952.db2.gz FPMYYCQCNRADKE-UHFFFAOYSA-N 0 0 313.317 0.934 50 0 DCAARN COC(=O)[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1OC ZINC000014070661 395689108 /nfs/dbraw/zinc/68/91/08/395689108.db2.gz ADHPQXJCXVWYRQ-SSDOTTSWSA-N 0 0 317.319 0.061 50 0 DCAARN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCCCC1 ZINC000014190626 395689346 /nfs/dbraw/zinc/68/93/46/395689346.db2.gz WCNDGNJZGIMGOS-UHFFFAOYSA-N 0 0 323.418 0.709 50 0 DCAARN CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccsc1 ZINC000014249300 395689417 /nfs/dbraw/zinc/68/94/17/395689417.db2.gz IROJCQPPWULLPT-UHFFFAOYSA-N 0 0 322.390 0.042 50 0 DCAARN Cn1c2ccc(C(=O)NCc3ccncc3)cc2c(=O)n(C)c1=O ZINC000015085297 395689740 /nfs/dbraw/zinc/68/97/40/395689740.db2.gz USUICBDUCXTJDT-UHFFFAOYSA-N 0 0 324.340 0.562 50 0 DCAARN CCCn1c(N)c(C(=O)CN2CCCC[C@H]2CC)c(=O)[nH]c1=O ZINC000016445008 395690533 /nfs/dbraw/zinc/69/05/33/395690533.db2.gz VNBVGVBBNKBTJP-LLVKDONJSA-N 0 0 322.409 0.976 50 0 DCAARN Nc1cc(=O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2N)[nH]1 ZINC000019798624 395691150 /nfs/dbraw/zinc/69/11/50/395691150.db2.gz PXMBAWNSEAUOMG-UHFFFAOYSA-N 0 0 322.268 0.571 50 0 DCAARN COC(=O)c1ccc2c(c1)N(CC(=O)NC(C)C)C(=O)CO2 ZINC000021925484 395691712 /nfs/dbraw/zinc/69/17/12/395691712.db2.gz ALVSGTADNIEDFX-UHFFFAOYSA-N 0 0 306.318 0.723 50 0 DCAARN CCOC(=O)CSc1nnnn1-c1ccc(C(N)=O)cc1 ZINC000000045619 395679710 /nfs/dbraw/zinc/67/97/10/395679710.db2.gz PAVHSNKOUCJGEZ-UHFFFAOYSA-N 0 0 307.335 0.416 50 0 DCAARN COc1ccc(C)cc1S(=O)(=O)N1CCC(C(N)=O)CC1 ZINC000000099847 395679760 /nfs/dbraw/zinc/67/97/60/395679760.db2.gz QXDWPFREKXACSB-UHFFFAOYSA-N 0 0 312.391 0.890 50 0 DCAARN CCOC(=O)Cn1c2ccccc2n(CC(=O)OCC)c1=O ZINC000000083237 395679786 /nfs/dbraw/zinc/67/97/86/395679786.db2.gz ZNFJQMSFNGBHEJ-UHFFFAOYSA-N 0 0 306.318 0.929 50 0 DCAARN NS(=O)(=O)c1ccc(-c2ccc(-n3cnnn3)cc2)cc1 ZINC000000111313 395679868 /nfs/dbraw/zinc/67/98/68/395679868.db2.gz IKVBDAAFFOXWKG-UHFFFAOYSA-N 0 0 301.331 0.977 50 0 DCAARN O=C(Nc1ccccc1)[C@@H](O)[C@H](O)C(=O)Nc1ccccc1 ZINC000000280744 395680138 /nfs/dbraw/zinc/68/01/38/395680138.db2.gz RMACBBOFZDWABJ-KBPBESRZSA-N 0 0 300.314 0.986 50 0 DCAARN COC(=O)Cc1c(C)c2ccc(OCC(N)=O)cc2oc1=O ZINC000000489594 395680498 /nfs/dbraw/zinc/68/04/98/395680498.db2.gz BIZZQHILOOPXAZ-UHFFFAOYSA-N 0 0 305.286 0.681 50 0 biogenic DCAARN CCOC(=O)C1=C[C@]2(CC(=O)N(c3ccccc3)C2=O)NN1 ZINC000000545702 395680532 /nfs/dbraw/zinc/68/05/32/395680532.db2.gz CYFIHODIFUEEKJ-OAHLLOKOSA-N 0 0 301.302 0.601 50 0 DCAARN Cc1ccccc1CS(=O)(=O)C[C@H](O)CN1CCCC1=O ZINC000001391322 395680837 /nfs/dbraw/zinc/68/08/37/395680837.db2.gz VPZWYLSLAONQIO-CQSZACIVSA-N 0 0 311.403 0.893 50 0 DCAARN CC(C)CCn1c(SCCO)nc2c1c(=O)[nH]c(=O)n2C ZINC000002055524 395681314 /nfs/dbraw/zinc/68/13/14/395681314.db2.gz IYPNNHDGNGTIJW-UHFFFAOYSA-N 0 0 312.395 0.554 50 0 DCAARN COC(=O)CCC(CCC(=O)OC)(C(=O)OC)C(=O)OC ZINC000002145647 395681316 /nfs/dbraw/zinc/68/13/16/395681316.db2.gz ALZAGONSRCGXFO-UHFFFAOYSA-N 0 0 304.295 0.225 50 0 DCAARN COCCn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000001859747 395681323 /nfs/dbraw/zinc/68/13/23/395681323.db2.gz BQCXFLCDGDDQCU-UHFFFAOYSA-N 0 0 321.381 0.306 50 0 DCAARN CN(C)S(=O)(=O)n1cnc(I)c1 ZINC000002577858 395681634 /nfs/dbraw/zinc/68/16/34/395681634.db2.gz HSJHNZMKMJPPGU-UHFFFAOYSA-N 0 0 301.109 0.142 50 0 DCAARN Cn1nnnc1SCC(=O)NC(=O)NCc1ccccc1 ZINC000002629135 395681719 /nfs/dbraw/zinc/68/17/19/395681719.db2.gz IQGORLYNFIRNBY-UHFFFAOYSA-N 0 0 306.351 0.328 50 0 DCAARN Cc1nn(CC(=O)NN2CCN(C)CC2)cc1Br ZINC000002780791 395681863 /nfs/dbraw/zinc/68/18/63/395681863.db2.gz QUQYSQNQRDDFCM-UHFFFAOYSA-N 0 0 316.203 0.233 50 0 DCAARN COCCNC(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000002917012 395682027 /nfs/dbraw/zinc/68/20/27/395682027.db2.gz DCZBOEBVPRJCBH-UHFFFAOYSA-N 0 0 300.318 0.562 50 0 DCAARN CNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000002885354 395682092 /nfs/dbraw/zinc/68/20/92/395682092.db2.gz JXDDQSHHVWIWCL-UHFFFAOYSA-N 0 0 312.391 0.986 50 0 DCAARN COC(=O)c1ccc(CNC(=O)CSc2nnnn2C)cc1 ZINC000003275287 395682347 /nfs/dbraw/zinc/68/23/47/395682347.db2.gz CQGILBIGDOOPFF-UHFFFAOYSA-N 0 0 321.362 0.405 50 0 DCAARN COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000008036264 395683913 /nfs/dbraw/zinc/68/39/13/395683913.db2.gz KUNOSOWHIZPZHQ-VIFPVBQESA-N 0 0 314.363 0.228 50 0 DCAARN NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000008216650 395684142 /nfs/dbraw/zinc/68/41/42/395684142.db2.gz SSXHKCMAQMKLMV-ZDUSSCGKSA-N 0 0 315.373 0.763 50 0 DCAARN CCC[C@H](C)N(C)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000030977037 395705243 /nfs/dbraw/zinc/70/52/43/395705243.db2.gz YAGWKTLZPKIQRH-WDEREUQCSA-N 0 0 319.427 0.120 50 0 DCAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)NCC1CCC1 ZINC000031442120 395706613 /nfs/dbraw/zinc/70/66/13/395706613.db2.gz NVWXJWOSCVWBEA-UHFFFAOYSA-N 0 0 307.375 0.641 50 0 DCAARN COC(=O)Cn1c(=O)nc2n1C(=O)N(c1ccc(C)cc1)C2 ZINC000032104394 395709312 /nfs/dbraw/zinc/70/93/12/395709312.db2.gz UHCILWXQUOZHQU-UHFFFAOYSA-N 0 0 302.290 0.515 50 0 DCAARN CN1C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)CC1=O ZINC000032144416 395709346 /nfs/dbraw/zinc/70/93/46/395709346.db2.gz LCVUBBDRJSTERL-HNNXBMFYSA-N 0 0 301.390 0.809 50 0 DCAARN CN(C)C(=O)N1CCN(C(=O)c2ccn3ccnc3c2)CC1 ZINC000089312032 395710066 /nfs/dbraw/zinc/71/00/66/395710066.db2.gz CCZFSPBSMAMLLC-UHFFFAOYSA-N 0 0 301.350 0.774 50 0 DCAARN CN(C)[C@@H](CNC(=O)N1CCC(C(N)=O)CC1)c1ccco1 ZINC000089312215 395710141 /nfs/dbraw/zinc/71/01/41/395710141.db2.gz GRUKQGYFCQZVRG-LBPRGKRZSA-N 0 0 308.382 0.789 50 0 DCAARN CN(CC1CC1)C(=O)CN1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000089340199 395710185 /nfs/dbraw/zinc/71/01/85/395710185.db2.gz HUENGYHBTHDJPM-HNNXBMFYSA-N 0 0 323.437 0.568 50 0 DCAARN CCOCCCNC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC000032659316 395712357 /nfs/dbraw/zinc/71/23/57/395712357.db2.gz JOEDZCSNQSSKEP-GFCCVEGCSA-N 0 0 318.377 0.868 50 0 DCAARN CCSc1nnc(NC(=O)CSc2nnnn2C)s1 ZINC000032700038 395712379 /nfs/dbraw/zinc/71/23/79/395712379.db2.gz IZOGEVKHQYOELP-UHFFFAOYSA-N 0 0 317.425 0.904 50 0 DCAARN CCOC(=O)N1CCN(CCn2nc3ccccn3c2=O)CC1 ZINC000032777973 395713343 /nfs/dbraw/zinc/71/33/43/395713343.db2.gz GOMHQAJUSLWXKY-UHFFFAOYSA-N 0 0 319.365 0.270 50 0 DCAARN COc1ccc(OCCNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000032772434 395713416 /nfs/dbraw/zinc/71/34/16/395713416.db2.gz JYVGBSWYKYLWIN-LLVKDONJSA-N 0 0 313.375 0.625 50 0 DCAARN O=C(Cn1cnc2ccsc2c1=O)NC(=O)c1ccc[nH]1 ZINC000032809266 395713852 /nfs/dbraw/zinc/71/38/52/395713852.db2.gz BTSMXBDKDDKRIS-UHFFFAOYSA-N 0 0 302.315 0.743 50 0 DCAARN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(C)C[C@@H]1C ZINC000089643136 395713991 /nfs/dbraw/zinc/71/39/91/395713991.db2.gz AONVUWVGKJEQQZ-NSHDSACASA-N 0 0 311.407 0.419 50 0 DCAARN CNC(=O)CN(C)C(=O)c1ccccc1OCc1noc(C)n1 ZINC000089718415 395714514 /nfs/dbraw/zinc/71/45/14/395714514.db2.gz BWJIDGLUGDBFGB-UHFFFAOYSA-N 0 0 318.333 0.775 50 0 DCAARN CCOC(=O)c1ccc(N2CCC[C@@H](S(N)(=O)=O)C2)nc1 ZINC000032923528 395714612 /nfs/dbraw/zinc/71/46/12/395714612.db2.gz WSTVYZKSNBRYRR-LLVKDONJSA-N 0 0 313.379 0.516 50 0 DCAARN O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)[C@H]1CNC(=O)N1 ZINC000089800377 395715356 /nfs/dbraw/zinc/71/53/56/395715356.db2.gz JCNSVDACXSMTCM-RISCZKNCSA-N 0 0 317.345 0.707 50 0 DCAARN COC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000089802327 395715375 /nfs/dbraw/zinc/71/53/75/395715375.db2.gz JDXDLKLECSNUOY-NSHDSACASA-N 0 0 308.338 0.890 50 0 DCAARN CC(C)N1C(=O)N[C@]2(CCN(CC(=O)N(C)C3CC3)C2)C1=O ZINC000089869826 395715812 /nfs/dbraw/zinc/71/58/12/395715812.db2.gz NGVSYYXVHZTJBV-HNNXBMFYSA-N 0 0 308.382 0.012 50 0 DCAARN COc1ccc(C)cc1C(=O)CCC(=O)N1CCNC(=O)C1 ZINC000033019795 395716197 /nfs/dbraw/zinc/71/61/97/395716197.db2.gz DLWORLQYHFSIAR-UHFFFAOYSA-N 0 0 304.346 0.925 50 0 DCAARN O=S(=O)(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000089914144 395716592 /nfs/dbraw/zinc/71/65/92/395716592.db2.gz UJKBANJHWMJPCG-GDBMZVCRSA-N 0 0 324.446 0.951 50 0 DCAARN CCOC(=O)CNC(=O)N[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000033127686 395716605 /nfs/dbraw/zinc/71/66/05/395716605.db2.gz WVJNZAIXFRNLJX-NSHDSACASA-N 0 0 319.361 0.827 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)N(C)Cc1nnc2n1CCC2 ZINC000089904341 395716632 /nfs/dbraw/zinc/71/66/32/395716632.db2.gz NLCCYRCPBKLTOR-NSHDSACASA-N 0 0 303.370 0.651 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)c2ccc3nncn3c2)CC1 ZINC000089943349 395717697 /nfs/dbraw/zinc/71/76/97/395717697.db2.gz DTQFZRNQJAZBLD-ZDUSSCGKSA-N 0 0 303.366 0.258 50 0 DCAARN O=C(CN1CCN(C(=O)c2ccco2)CC1)NCc1ccco1 ZINC000035889365 395721959 /nfs/dbraw/zinc/72/19/59/395721959.db2.gz BETPISBSGACHJP-UHFFFAOYSA-N 0 0 317.345 0.947 50 0 DCAARN COc1ncccc1C(=O)N1CCCN(CC(=O)N(C)C)CC1 ZINC000036393526 395723296 /nfs/dbraw/zinc/72/32/96/395723296.db2.gz 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/nfs/dbraw/zinc/74/73/44/395747344.db2.gz HTBAQCSMBNAMKE-LSDHHAIUSA-N 0 0 322.336 0.583 50 0 DCAARN CCn1ccc(NC(=O)CCNC(=O)c2cc(C)nn2C)n1 ZINC000096192428 395748208 /nfs/dbraw/zinc/74/82/08/395748208.db2.gz STBNQKKXFMYTSA-UHFFFAOYSA-N 0 0 304.354 0.704 50 0 DCAARN COC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(N)=O)cc1 ZINC000096297288 395752310 /nfs/dbraw/zinc/75/23/10/395752310.db2.gz YMTGKXFVHVZFLW-OYVUYXNMSA-N 0 0 302.330 0.963 50 0 DCAARN CCNS(=O)(=O)CCNC(=O)NC/C=C\c1ccccc1 ZINC000096405828 395752724 /nfs/dbraw/zinc/75/27/24/395752724.db2.gz OXKTYGRKWJEBGI-TWGQIWQCSA-N 0 0 311.407 0.938 50 0 DCAARN Cc1cc(F)c(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2)cc1F ZINC000096475476 395753988 /nfs/dbraw/zinc/75/39/88/395753988.db2.gz DKYSXBMBOAHNPR-MRVPVSSYSA-N 0 0 304.318 0.782 50 0 DCAARN Cc1nnc(CN2CCN(c3cnn(C)c(=O)c3Cl)CC2)[nH]1 ZINC000096500776 395754350 /nfs/dbraw/zinc/75/43/50/395754350.db2.gz NEGKREDOMDMWNQ-UHFFFAOYSA-N 0 0 323.788 0.182 50 0 DCAARN O=C([O-])[C@H]1C[NH2+]CCN(C(=O)Cc2noc3ccccc23)C1 ZINC000097447071 395758203 /nfs/dbraw/zinc/75/82/03/395758203.db2.gz AZDFBKBKXOYDMW-JTQLQIEISA-N 0 0 303.318 0.503 50 0 DCAARN C[C@H](Nc1ncnc2c1cnn2CCO)C(=O)N1CCCCC1 ZINC000097200345 395755618 /nfs/dbraw/zinc/75/56/18/395755618.db2.gz PVBXQKDZXDJVOU-NSHDSACASA-N 0 0 318.381 0.632 50 0 DCAARN NS(=O)(=O)c1ccc(OCCN2CCn3ccnc3C2)cc1 ZINC000097201346 395756125 /nfs/dbraw/zinc/75/61/25/395756125.db2.gz PDNRUZQFUXWHPG-UHFFFAOYSA-N 0 0 322.390 0.425 50 0 DCAARN COCCN1CCN(Cc2cnc3cc(C)ccn23)CC1=O ZINC000097235577 395756435 /nfs/dbraw/zinc/75/64/35/395756435.db2.gz QGJQCEDLFOCWCV-UHFFFAOYSA-N 0 0 302.378 0.933 50 0 DCAARN COC(=O)CN(C(=O)Cn1ncc2ccccc2c1=O)C(C)C ZINC000097324459 395756942 /nfs/dbraw/zinc/75/69/42/395756942.db2.gz GBZVMQUQUBKUOO-UHFFFAOYSA-N 0 0 317.345 0.807 50 0 DCAARN CN(CC(=O)N1CCCC1)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000106905830 395784516 /nfs/dbraw/zinc/78/45/16/395784516.db2.gz LLCJQQQIKAXGEL-ZDUSSCGKSA-N 0 0 319.409 0.496 50 0 DCAARN CC(=O)N1CCN([C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@@H]2C)CC1 ZINC000107141846 395784739 /nfs/dbraw/zinc/78/47/39/395784739.db2.gz QBKWYJAOPWUOHF-HEHGZKQESA-N 0 0 322.453 0.138 50 0 DCAARN Cc1nc(CN(C)[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)no1 ZINC000107056194 395784810 /nfs/dbraw/zinc/78/48/10/395784810.db2.gz NYERKXUJCINVLX-UONOGXRCSA-N 0 0 320.397 0.142 50 0 DCAARN CC(C)NC(=O)N1CCC(C(=O)NCCNC(=O)C2CC2)CC1 ZINC000047047177 395786674 /nfs/dbraw/zinc/78/66/74/395786674.db2.gz IYHAPQSGIBBUKF-UHFFFAOYSA-N 0 0 324.425 0.459 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2)CC1 ZINC000044891056 395759213 /nfs/dbraw/zinc/75/92/13/395759213.db2.gz PCXKUGJQYGOLRX-ZDUSSCGKSA-N 0 0 323.418 0.705 50 0 DCAARN CCCn1cc(CNC(=O)c2cccc(S(N)(=O)=O)c2)cn1 ZINC000097655506 395759999 /nfs/dbraw/zinc/75/99/99/395759999.db2.gz JCEHUQTYJXOGBV-UHFFFAOYSA-N 0 0 322.390 0.871 50 0 DCAARN Cn1c2ccccc2nc(C(=O)N2CCC[C@H](C(N)=O)C2)c1=O ZINC000097698921 395760378 /nfs/dbraw/zinc/76/03/78/395760378.db2.gz 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/nfs/dbraw/zinc/76/67/07/395766707.db2.gz FJEBNVKNKKIYNJ-UHFFFAOYSA-N 0 0 315.373 0.404 50 0 DCAARN C[C@@H]1C[N@H+](Cc2cc(=O)n3nc[n-]c3n2)CC[C@@]1(O)C1CCC1 ZINC000102412246 395770128 /nfs/dbraw/zinc/77/01/28/395770128.db2.gz GBSKOZUSZHWXHH-BZNIZROVSA-N 0 0 317.393 0.791 50 0 DCAARN CCOC(=O)CN1C[C@H]2[C@H](C(=O)N(C)Cc3ccoc3)[C@H]2C1 ZINC000102590976 395770931 /nfs/dbraw/zinc/77/09/31/395770931.db2.gz GAFHENHFNLJEKE-NHAGDIPZSA-N 0 0 306.362 0.979 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000048234646 395811480 /nfs/dbraw/zinc/81/14/80/395811480.db2.gz WYYYKLPCFOSTRP-KGYLQXTDSA-N 0 0 310.375 0.131 50 0 DCAARN O=C(NCCc1ccccc1F)N[C@@H]1CCS(=O)(=O)C1 ZINC000048276324 395812398 /nfs/dbraw/zinc/81/23/98/395812398.db2.gz BCGJQDPAAYKVEO-LLVKDONJSA-N 0 0 300.355 0.855 50 0 DCAARN CC(C)N1CCN(C(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000048286972 395812461 /nfs/dbraw/zinc/81/24/61/395812461.db2.gz UQXBREUOCLSWNU-GFCCVEGCSA-N 0 0 303.428 0.157 50 0 DCAARN COc1nccnc1O[C@@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000225495860 395861414 /nfs/dbraw/zinc/86/14/14/395861414.db2.gz TUFMVIDVLJYIGI-NWDGAFQWSA-N 0 0 307.350 0.892 50 0 DCAARN CCCS(=O)(=O)NCc1cccc(OCC(=O)NC)c1 ZINC000048959365 395825123 /nfs/dbraw/zinc/82/51/23/395825123.db2.gz WPCKBJRIKVGHQB-UHFFFAOYSA-N 0 0 300.380 0.641 50 0 DCAARN O=C(NCCn1nc(-c2ccco2)ccc1=O)c1ccno1 ZINC000048985230 395826132 /nfs/dbraw/zinc/82/61/32/395826132.db2.gz WTYNMUMGMLGXNV-UHFFFAOYSA-N 0 0 300.274 0.921 50 0 DCAARN O=C(c1cnn2c1OCCC2)N1CC[C@@H](Oc2cccnn2)C1 ZINC000225417157 395859894 /nfs/dbraw/zinc/85/98/94/395859894.db2.gz HTHZFAINNMEYFE-LLVKDONJSA-N 0 0 315.333 0.749 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)N(C)[C@H](CO)C(C)(C)C)[C@@H](C)CO1 ZINC000225444536 395859938 /nfs/dbraw/zinc/85/99/38/395859938.db2.gz JUUIDQXZIVHUNP-QJPTWQEYSA-N 0 0 308.444 0.679 50 0 DCAARN C[C@@H]1CN(C(C)(C)CNC(=O)[C@H]2CCNC(=O)C2)C[C@@H](C)O1 ZINC000225422099 395860272 /nfs/dbraw/zinc/86/02/72/395860272.db2.gz OXVCBCGUTDQNRF-UPJWGTAASA-N 0 0 311.426 0.517 50 0 DCAARN CCOC(=O)CN(CC(=O)NC(N)=O)Cc1ccc(F)cc1 ZINC000050964692 395843874 /nfs/dbraw/zinc/84/38/74/395843874.db2.gz VIMCBRKUUPXJRY-UHFFFAOYSA-N 0 0 311.313 0.386 50 0 DCAARN CCOCCn1nc(C)cc1C(=O)N[C@@H]1COCC[C@H]1OC ZINC000219288212 395844556 /nfs/dbraw/zinc/84/45/56/395844556.db2.gz ABRYIOFICPCPPB-TZMCWYRMSA-N 0 0 311.382 0.762 50 0 DCAARN COc1ccc(C2(C(=O)NC[C@H]3CN(C)C(=O)CO3)CC2)cc1 ZINC000221334102 395850525 /nfs/dbraw/zinc/85/05/25/395850525.db2.gz ZNHUHCUHQLMOGO-AWEZNQCLSA-N 0 0 318.373 0.700 50 0 DCAARN COC(=O)[C@H](CO)NS(=O)(=O)/C=C\c1ccccc1Cl ZINC000222138778 395852015 /nfs/dbraw/zinc/85/20/15/395852015.db2.gz PSAQRVGUABWCMC-ZADCQDASSA-N 0 0 319.766 0.764 50 0 DCAARN CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1ccnc(C(C)C)n1 ZINC000223293798 395855315 /nfs/dbraw/zinc/85/53/15/395855315.db2.gz MIEJPADWTJFRHH-YXCITZCRSA-N 0 0 318.377 0.622 50 0 DCAARN O=C(NCc1nnc2n1CCC2)c1scc2c1OCCO2 ZINC000223540341 395855656 /nfs/dbraw/zinc/85/56/56/395855656.db2.gz OEKZYXGYUSUAED-UHFFFAOYSA-N 0 0 306.347 0.987 50 0 DCAARN CCCS(=O)(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1 ZINC000223843129 395856540 /nfs/dbraw/zinc/85/65/40/395856540.db2.gz PVIAGTFXHVRKPB-VXGBXAGGSA-N 0 0 300.380 0.947 50 0 DCAARN O=C(Cn1ncnn1)N[C@@H]1CCOC[C@H]1OCc1ccccc1 ZINC000223702588 395856843 /nfs/dbraw/zinc/85/68/43/395856843.db2.gz GHBYZINXJXAYMG-ZIAGYGMSSA-N 0 0 317.349 0.164 50 0 DCAARN COc1ccc([C@H](NC(=O)CN(C)CC(N)=O)C2CC2)cc1 ZINC000047496089 395794517 /nfs/dbraw/zinc/79/45/17/395794517.db2.gz OWNWMFAVQJPADK-MRXNPFEDSA-N 0 0 305.378 0.680 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)NCc1ccc2c(c1)OCO2 ZINC000047575844 395795872 /nfs/dbraw/zinc/79/58/72/395795872.db2.gz BTODALMHKUWESX-LBPRGKRZSA-N 0 0 321.377 0.935 50 0 DCAARN CSCCC(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000194613729 395801579 /nfs/dbraw/zinc/80/15/79/395801579.db2.gz CCRNDLDFTCXYMC-UHFFFAOYSA-N 0 0 308.407 0.582 50 0 DCAARN COC(=O)CCNC(=O)Cc1csc(-c2ncccn2)n1 ZINC000054123777 395893778 /nfs/dbraw/zinc/89/37/78/395893778.db2.gz QIROIEPHCKNFSW-UHFFFAOYSA-N 0 0 306.347 0.822 50 0 DCAARN COCCN1CCN(CC(=O)NCc2cccc(OC)c2)CC1 ZINC000054187897 395895524 /nfs/dbraw/zinc/89/55/24/395895524.db2.gz HOFIPLNFKWNCJZ-UHFFFAOYSA-N 0 0 321.421 0.575 50 0 DCAARN CCC1(CO)CCN(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000124330448 395901038 /nfs/dbraw/zinc/90/10/38/395901038.db2.gz YXDPKUIYZAQHPU-ZIAGYGMSSA-N 0 0 313.442 0.900 50 0 DCAARN CCCS(=O)(=O)CC(=O)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000055189750 395913408 /nfs/dbraw/zinc/91/34/08/395913408.db2.gz KEPGQNMQTXLIOF-LBPRGKRZSA-N 0 0 312.391 0.693 50 0 DCAARN C[C@@H](C(=O)[O-])[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000237507180 395914411 /nfs/dbraw/zinc/91/44/11/395914411.db2.gz NINFOKPSIMLISW-NSHDSACASA-N 0 0 309.341 0.855 50 0 DCAARN Cc1ccc2c(CC(=O)NC(C(N)=O)C(N)=O)coc2c1C ZINC000055274775 395915709 /nfs/dbraw/zinc/91/57/09/395915709.db2.gz HUODTPJZUBJFNO-UHFFFAOYSA-N 0 0 303.318 0.048 50 0 DCAARN Cc1nnc(SCC(=O)NCCSc2nc[nH]n2)s1 ZINC000055342506 395917676 /nfs/dbraw/zinc/91/76/76/395917676.db2.gz RTSWNKAKDZRDSG-UHFFFAOYSA-N 0 0 316.437 0.965 50 0 DCAARN CCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1OC ZINC000055422018 395918801 /nfs/dbraw/zinc/91/88/01/395918801.db2.gz DFMKZWISLBUSOG-ZDUSSCGKSA-N 0 0 306.362 0.949 50 0 DCAARN O=C(NCCN1CCOCC1)c1cc(=O)c2ccccc2[nH]1 ZINC000055544382 395919934 /nfs/dbraw/zinc/91/99/34/395919934.db2.gz MHNLGTFAERBTPD-UHFFFAOYSA-N 0 0 301.346 0.590 50 0 DCAARN CSCC[C@@H](NC(C)=O)C(=O)N1CC(Oc2cccnc2)C1 ZINC000238865327 395923138 /nfs/dbraw/zinc/92/31/38/395923138.db2.gz LQJBMCFKIWGRSW-CQSZACIVSA-N 0 0 323.418 0.929 50 0 DCAARN Cc1nonc1CC(=O)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 ZINC000244866420 395925925 /nfs/dbraw/zinc/92/59/25/395925925.db2.gz VVXHGPXXMFKBPJ-GUTXKFCHSA-N 0 0 316.361 0.814 50 0 DCAARN O=C(c1cc2ncccn2n1)N1CCN(C2CCCC2)C(=O)C1 ZINC000244900309 395926708 /nfs/dbraw/zinc/92/67/08/395926708.db2.gz ZZWQVAVBIORAON-UHFFFAOYSA-N 0 0 313.361 0.956 50 0 DCAARN C[C@H]1CN(S(C)(=O)=O)[C@@H](C)CN1CCOCC(F)F ZINC000225549687 395861577 /nfs/dbraw/zinc/86/15/77/395861577.db2.gz UGSFSHPVKNYFKE-UWVGGRQHSA-N 0 0 300.371 0.622 50 0 DCAARN O=C(NCC1CC1)[C@@H]1CCCN(c2ccc3nnnn3n2)C1 ZINC000052360015 395862408 /nfs/dbraw/zinc/86/24/08/395862408.db2.gz JNQGOHWCVVMIJM-LLVKDONJSA-N 0 0 301.354 0.262 50 0 DCAARN Cc1noc(C)c1CCC(=O)N[C@@H]1CCc2n[nH]c(=O)cc2C1 ZINC000225785221 395863757 /nfs/dbraw/zinc/86/37/57/395863757.db2.gz KVBFUEBFSRLPDE-GFCCVEGCSA-N 0 0 316.361 0.981 50 0 DCAARN COC(=O)[C@H](O)[C@@H](O)C(=O)OCc1ccc(OC(F)F)cc1 ZINC000225840462 395863852 /nfs/dbraw/zinc/86/38/52/395863852.db2.gz TXPNOKHPICUWDF-NXEZZACHSA-N 0 0 320.244 0.226 50 0 DCAARN Cc1noc([C@@H]2CCCN(CC(=O)N3CCO[C@@H](C)C3)C2)n1 ZINC000229292143 395874233 /nfs/dbraw/zinc/87/42/33/395874233.db2.gz DRDBOMQNAOBIOU-WCQYABFASA-N 0 0 308.382 0.805 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCO[C@@H](Cn3cccn3)C2)no1 ZINC000229502535 395874712 /nfs/dbraw/zinc/87/47/12/395874712.db2.gz ZNYKQTUSAOQICM-QWHCGFSZSA-N 0 0 319.365 0.908 50 0 DCAARN CC(C)NC(=O)COC(=O)CCn1ncc(=O)c2ccccc21 ZINC000053032273 395875796 /nfs/dbraw/zinc/87/57/96/395875796.db2.gz LRRJXKMLWXUXNZ-UHFFFAOYSA-N 0 0 317.345 0.854 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccccc2O)CC1 ZINC000058143796 395951481 /nfs/dbraw/zinc/95/14/81/395951481.db2.gz UAXILTNMCOHQQY-LLVKDONJSA-N 0 0 306.366 0.358 50 0 DCAARN Cn1ccnc1CCNC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000063487649 395977532 /nfs/dbraw/zinc/97/75/32/395977532.db2.gz OKLHFPPSPPSFMW-UHFFFAOYSA-N 0 0 300.318 0.724 50 0 DCAARN CCC(CC)C(=O)N1CCN(c2cc(=O)n(C)c(=O)n2C)CC1 ZINC000065024225 395990662 /nfs/dbraw/zinc/99/06/62/395990662.db2.gz UWXITXTXNOKSPZ-UHFFFAOYSA-N 0 0 322.409 0.169 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CC[C@H](Nc3cccnc3)C2)c1 ZINC000065268102 395992350 /nfs/dbraw/zinc/99/23/50/395992350.db2.gz RPZRIORJWBYRQW-LBPRGKRZSA-N 0 0 307.379 0.690 50 0 DCAARN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2C(=O)c2ccnn2C)O1 ZINC000252508615 396022350 /nfs/dbraw/zinc/02/23/50/396022350.db2.gz XPWQFYDZPXZYHD-SQNXGDPESA-N 0 0 307.350 0.744 50 0 DCAARN O=C(c1ccco1)N1CCN(C(=O)c2cc(=O)[nH]cn2)CC1 ZINC000252572609 396023254 /nfs/dbraw/zinc/02/32/54/396023254.db2.gz ZMPARLMBMWLGBH-UHFFFAOYSA-N 0 0 302.290 0.373 50 0 DCAARN CC[C@H](C)[C@@H](CO)NC(=O)C1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000252540371 396023337 /nfs/dbraw/zinc/02/33/37/396023337.db2.gz PFIKDERFBTVWIA-WCQYABFASA-N 0 0 322.409 0.922 50 0 DCAARN Cc1ncccc1C(=O)N[C@@H]1CN(c2ncccn2)C[C@H]1CO ZINC000253407492 396026867 /nfs/dbraw/zinc/02/68/67/396026867.db2.gz JXMCROYZLGNQNL-GXTWGEPZSA-N 0 0 313.361 0.407 50 0 DCAARN COC[C@@H]1CN(C(=O)c2cc(OC)cc(OC)c2)C[C@H]1C(N)=O ZINC000253402462 396026976 /nfs/dbraw/zinc/02/69/76/396026976.db2.gz GKHVZLJTCJATEK-SMDDNHRTSA-N 0 0 322.361 0.524 50 0 DCAARN COCC(=O)N[C@@H]1CN(Cc2ccc(F)cc2F)C[C@H]1CO ZINC000253412697 396027094 /nfs/dbraw/zinc/02/70/94/396027094.db2.gz RTCYZMFPYLRMLV-SMDDNHRTSA-N 0 0 314.332 0.520 50 0 DCAARN CN(C)c1nnc(CN2CCN(C(=O)c3ccco3)CC2)o1 ZINC000253429472 396028561 /nfs/dbraw/zinc/02/85/61/396028561.db2.gz CVZFCWBYSWVDPB-UHFFFAOYSA-N 0 0 305.338 0.687 50 0 DCAARN CC(C)(O)c1nc(CNS(=O)(=O)c2ccc(F)cc2)no1 ZINC000253432168 396028568 /nfs/dbraw/zinc/02/85/68/396028568.db2.gz WGQFDELVYIWNNF-UHFFFAOYSA-N 0 0 315.326 0.915 50 0 DCAARN O=C(COC[C@@H]1CCCCO1)NCCc1c[nH]c(=O)[nH]c1=O ZINC000253537246 396030218 /nfs/dbraw/zinc/03/02/18/396030218.db2.gz GYLQQEUKEMYCLR-NSHDSACASA-N 0 0 311.338 0.132 50 0 DCAARN CCn1c(=O)n(C)nc1[C@H]1CCCN(c2cc(OC)ncn2)C1 ZINC000067724834 396031974 /nfs/dbraw/zinc/03/19/74/396031974.db2.gz LACSAZXCXOTJSL-NSHDSACASA-N 0 0 318.381 0.784 50 0 DCAARN COc1ccc(C=c2sc3nc(=O)c(C)nn3c2=O)cc1 ZINC000254761236 396032159 /nfs/dbraw/zinc/03/21/59/396032159.db2.gz VMOGMNVDOQMWHN-UHFFFAOYSA-N 0 0 301.327 0.376 50 0 DCAARN C[N@@H+]1CCN(C(=O)Cc2ccc3c(c2)OCO3)C[C@@H]1C(=O)[O-] ZINC000067774851 396033423 /nfs/dbraw/zinc/03/34/23/396033423.db2.gz AMUOPYAJFWNHMP-LLVKDONJSA-N 0 0 306.318 0.185 50 0 DCAARN O=C(NCCN1CCCc2ccccc21)c1cc(=O)[nH]c(=O)[nH]1 ZINC000067805890 396034352 /nfs/dbraw/zinc/03/43/52/396034352.db2.gz WDPNTFCEUTZANX-UHFFFAOYSA-N 0 0 314.345 0.246 50 0 DCAARN CNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)CCOC ZINC000257187056 396034776 /nfs/dbraw/zinc/03/47/76/396034776.db2.gz LGGYPSQAWIJQLO-KBPBESRZSA-N 0 0 306.362 0.817 50 0 DCAARN CCCn1cc(C(=O)N2Cc3cnn(CCO)c3C2)c(C)n1 ZINC000067871729 396037074 /nfs/dbraw/zinc/03/70/74/396037074.db2.gz RENSXUJYTHERNG-UHFFFAOYSA-N 0 0 303.366 0.946 50 0 DCAARN CN(C)C(=O)N1CCC(C(=O)N(C)CCc2ncon2)CC1 ZINC000252478795 396020025 /nfs/dbraw/zinc/02/00/25/396020025.db2.gz AVEQSVRZRKWNEM-UHFFFAOYSA-N 0 0 309.370 0.464 50 0 DCAARN COc1ccc2nnc(CNC(=O)c3snnc3C)n2n1 ZINC000252489452 396021014 /nfs/dbraw/zinc/02/10/14/396021014.db2.gz JRGGYHJREAWJEW-UHFFFAOYSA-N 0 0 305.323 0.223 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000069664892 396086376 /nfs/dbraw/zinc/08/63/76/396086376.db2.gz SMNAROHSJSFFCY-LBPRGKRZSA-N 0 0 302.378 0.630 50 0 DCAARN O=C1N[C@H](c2cnc(N3CCOCC3)nc2)Nc2ncccc21 ZINC000069740885 396088471 /nfs/dbraw/zinc/08/84/71/396088471.db2.gz OVLYDCWVKFXXHO-GFCCVEGCSA-N 0 0 312.333 0.562 50 0 DCAARN CN(CC(=O)N1CCC[C@@H](n2ccnc2)C1)c1cnccn1 ZINC000069738364 396088886 /nfs/dbraw/zinc/08/88/86/396088886.db2.gz GZIVYWNDWGPNGR-CYBMUJFWSA-N 0 0 300.366 0.973 50 0 DCAARN CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CS(=O)(=O)CC ZINC000069843670 396091857 /nfs/dbraw/zinc/09/18/57/396091857.db2.gz IRUZDODHHQGWPC-OLZOCXBDSA-N 0 0 302.440 0.896 50 0 DCAARN Cn1nc2n(c1=O)CC[C@@H](NC(=O)NCc1ccco1)CC2 ZINC000169783294 396091864 /nfs/dbraw/zinc/09/18/64/396091864.db2.gz GDYXYPJQBQLIED-JTQLQIEISA-N 0 0 305.338 0.379 50 0 DCAARN Cn1ncc(N2CCC[C@@H](CC(=O)NCC3CC3)C2)cc1=O ZINC000169779923 396091874 /nfs/dbraw/zinc/09/18/74/396091874.db2.gz GDOGFJHBMSQRHI-ZDUSSCGKSA-N 0 0 304.394 0.913 50 0 DCAARN Cn1nc2n(c1=O)CCN(C(=O)COCc1ccccc1)CC2 ZINC000169783116 396091950 /nfs/dbraw/zinc/09/19/50/396091950.db2.gz KHDYVCAUZFLZBU-UHFFFAOYSA-N 0 0 316.361 0.183 50 0 DCAARN O=C(Cc1ccc(Cl)cc1)N1CCc2n[nH]c(=O)n2CC1 ZINC000169783005 396091964 /nfs/dbraw/zinc/09/19/64/396091964.db2.gz OQRTVIMGJWGBOM-UHFFFAOYSA-N 0 0 306.753 0.852 50 0 DCAARN CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1ncnc(N)c1Cl ZINC000277893260 396093061 /nfs/dbraw/zinc/09/30/61/396093061.db2.gz TUVWVWXHSHMOOJ-YUMQZZPRSA-N 0 0 319.818 0.842 50 0 DCAARN C/C=C/C[C@H](CO)NC(=O)CNC(=O)c1cccc(OC)c1 ZINC000170598465 396095338 /nfs/dbraw/zinc/09/53/38/396095338.db2.gz JLQSVIWHSQFSLP-ITDFMYJTSA-N 0 0 306.362 0.868 50 0 DCAARN COCCN1CCN(CC(=O)NCCc2ccccc2C)CC1 ZINC000069952152 396095960 /nfs/dbraw/zinc/09/59/60/396095960.db2.gz DTCOYCRWWGDVLN-UHFFFAOYSA-N 0 0 319.449 0.918 50 0 DCAARN Cn1nncc1S(=O)(=O)NC[C@H](CCO)c1ccccc1 ZINC000170613357 396096161 /nfs/dbraw/zinc/09/61/61/396096161.db2.gz CUVGGYCMHNFUSO-LBPRGKRZSA-N 0 0 310.379 0.260 50 0 DCAARN CCCS(=O)(=O)CC(=O)N1CCC[C@H]1[C@H]1CCCN1C ZINC000069952010 396096196 /nfs/dbraw/zinc/09/61/96/396096196.db2.gz DQPOPXLRZDIYKQ-OLZOCXBDSA-N 0 0 302.440 0.896 50 0 DCAARN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)[C@H]2COCCO2)C1 ZINC000170626274 396096201 /nfs/dbraw/zinc/09/62/01/396096201.db2.gz NKUYVRXHLKDOOF-CHWSQXEVSA-N 0 0 312.410 0.803 50 0 DCAARN C[C@H](Cc1cccc(F)c1)C(=O)O[C@@H]1CC(=O)N(CC(N)=O)C1 ZINC000069967866 396096454 /nfs/dbraw/zinc/09/64/54/396096454.db2.gz SEVBBIUZNJYBMB-ZWNOBZJWSA-N 0 0 322.336 0.634 50 0 DCAARN Cc1noc2nc(C)cc(C(=O)N3CCN(C[C@@H](C)O)CC3)c12 ZINC000070016197 396097973 /nfs/dbraw/zinc/09/79/73/396097973.db2.gz GWAULLJWCDEUDZ-LLVKDONJSA-N 0 0 318.377 0.978 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)c2cc3c(s2)CCOC3)CC1 ZINC000070038767 396098848 /nfs/dbraw/zinc/09/88/48/396098848.db2.gz NJGFXCBUXJBPEN-NSHDSACASA-N 0 0 310.419 0.959 50 0 DCAARN CS(=O)(=O)CCN1CCN(c2ccc(Cl)cn2)CC1 ZINC000071833225 396117739 /nfs/dbraw/zinc/11/77/39/396117739.db2.gz PJOYFDNJLULWFZ-UHFFFAOYSA-N 0 0 303.815 0.902 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC(C)(C)O1 ZINC000071831157 396117865 /nfs/dbraw/zinc/11/78/65/396117865.db2.gz KXWUQLLOLWIFHL-SNVBAGLBSA-N 0 0 319.365 0.156 50 0 DCAARN CCCCn1nnnc1CN1CCC[C@@H](N2CCNC2=O)C1 ZINC000071830571 396118113 /nfs/dbraw/zinc/11/81/13/396118113.db2.gz UAHIQWHFCCVESY-GFCCVEGCSA-N 0 0 307.402 0.463 50 0 DCAARN Cc1cnn(C[C@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)c1 ZINC000071869709 396119309 /nfs/dbraw/zinc/11/93/09/396119309.db2.gz MBKQWTQJCMOSCD-GFCCVEGCSA-N 0 0 303.366 0.791 50 0 DCAARN Cc1nc(CN2CCC[C@H](N(C)CCS(C)(=O)=O)C2)no1 ZINC000071876924 396121723 /nfs/dbraw/zinc/12/17/23/396121723.db2.gz TXNCQHBLMNOAKC-LBPRGKRZSA-N 0 0 316.427 0.319 50 0 DCAARN CC(C)[C@@H](NC(=O)CNC(=O)/C=C/c1ccccc1)C(N)=O ZINC000071886033 396123577 /nfs/dbraw/zinc/12/35/77/396123577.db2.gz CHYXJCOJUMJVFA-XVJNWHFHSA-N 0 0 303.362 0.442 50 0 DCAARN CNC(=O)NC(=O)CN(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000071900640 396124617 /nfs/dbraw/zinc/12/46/17/396124617.db2.gz BLYSEMLJCJFNRC-LBPRGKRZSA-N 0 0 322.340 0.318 50 0 DCAARN C[C@H](OC(=O)C[C@@](C)(O)C(F)(F)F)C(=O)N1CCOCC1 ZINC000071916809 396125581 /nfs/dbraw/zinc/12/55/81/396125581.db2.gz AZOJXLOGQRJYGC-GZMMTYOYSA-N 0 0 313.272 0.480 50 0 DCAARN O=C(CCN1CCO[C@@H](Cn2cncn2)C1)NC1CCCCC1 ZINC000072268127 396128278 /nfs/dbraw/zinc/12/82/78/396128278.db2.gz TWWNIUMMRYBHOB-OAHLLOKOSA-N 0 0 321.425 0.818 50 0 DCAARN CN(C)c1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)nn1 ZINC000072269908 396128858 /nfs/dbraw/zinc/12/88/58/396128858.db2.gz IFNGWQLIRITOQJ-UONOGXRCSA-N 0 0 319.409 0.214 50 0 DCAARN Cc1cn2c(n1)CC[C@H](NC(=O)Cn1nc(C)ccc1=O)C2 ZINC000072271745 396129109 /nfs/dbraw/zinc/12/91/09/396129109.db2.gz NMJKRAIJMZOBSO-LBPRGKRZSA-N 0 0 301.350 0.188 50 0 DCAARN CCn1nc2c(cc1=O)CN(Cc1nnc(C3CC3)n1C)CC2 ZINC000072302223 396130603 /nfs/dbraw/zinc/13/06/03/396130603.db2.gz WMAZJZALBHXPFO-UHFFFAOYSA-N 0 0 314.393 0.827 50 0 DCAARN COC(=O)N1CC[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000072297580 396130722 /nfs/dbraw/zinc/13/07/22/396130722.db2.gz LBDUIONERZTPAE-JTQLQIEISA-N 0 0 319.317 0.588 50 0 DCAARN COC(=O)[C@]1(F)CCN(C(=O)C2(S(C)(=O)=O)CCCC2)C1 ZINC000072307224 396130996 /nfs/dbraw/zinc/13/09/96/396130996.db2.gz IOGUFONOICGQEL-LBPRGKRZSA-N 0 0 321.370 0.457 50 0 DCAARN CNC(=O)NC(=O)CCN(C)CC(=O)Nc1cc(C)ccn1 ZINC000069383585 396076744 /nfs/dbraw/zinc/07/67/44/396076744.db2.gz CIEQRJQMEPGMKD-UHFFFAOYSA-N 0 0 307.354 0.106 50 0 DCAARN NC(=O)[C@H](c1ccccc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000069414781 396077079 /nfs/dbraw/zinc/07/70/79/396077079.db2.gz AHHQUFRTRAUACO-GJZGRUSLSA-N 0 0 300.362 0.811 50 0 DCAARN Cc1cnn(C[C@H]2CN(C[C@H](O)Cn3cccn3)CCO2)c1 ZINC000069452116 396078794 /nfs/dbraw/zinc/07/87/94/396078794.db2.gz FRVHUYVQAPHQCR-LSDHHAIUSA-N 0 0 305.382 0.150 50 0 DCAARN Cc1cnn(C[C@@H]2CN(CCCN3CCCC3=O)CCO2)c1 ZINC000069452070 396078826 /nfs/dbraw/zinc/07/88/26/396078826.db2.gz ICECHNXBNZIAKL-HNNXBMFYSA-N 0 0 306.410 0.905 50 0 DCAARN Cn1cc(S(=O)(=O)NC[C@@]2(O)CCc3ccccc32)cn1 ZINC000162213368 396079126 /nfs/dbraw/zinc/07/91/26/396079126.db2.gz IZGHFWHEJTUUQB-AWEZNQCLSA-N 0 0 307.375 0.532 50 0 DCAARN CONC(=O)c1c(C)oc2[nH]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000069599601 396084274 /nfs/dbraw/zinc/08/42/74/396084274.db2.gz QJYQUGVLORYQIN-UHFFFAOYSA-N 0 0 315.285 0.872 50 0 DCAARN C[C@@H](O)CN1CCN(Cc2nc(-c3cccnc3)no2)CC1 ZINC000069629954 396085423 /nfs/dbraw/zinc/08/54/23/396085423.db2.gz YIGZQGAYXMXAHD-GFCCVEGCSA-N 0 0 303.366 0.630 50 0 DCAARN CC(C)(C)C(=O)NCCC(=O)O[C@@H]1CCCS(=O)(=O)C1 ZINC000075106561 396176133 /nfs/dbraw/zinc/17/61/33/396176133.db2.gz YRMBSWUJVZADEZ-SNVBAGLBSA-N 0 0 305.396 0.659 50 0 DCAARN Cc1ccc(C(=O)NC[C@@H](O)COc2cccc(F)c2)c(=O)[nH]1 ZINC000075121022 396176865 /nfs/dbraw/zinc/17/68/65/396176865.db2.gz VCZYTZVBXBVBLC-GFCCVEGCSA-N 0 0 320.320 0.992 50 0 DCAARN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000075284478 396178888 /nfs/dbraw/zinc/17/88/88/396178888.db2.gz FLWRHRSHVXBOMG-FZMZJTMJSA-N 0 0 322.386 0.940 50 0 DCAARN Cc1nnc([C@@H]2CN(CC(=O)N(C)c3nccs3)CCO2)[nH]1 ZINC000076048727 396194198 /nfs/dbraw/zinc/19/41/98/396194198.db2.gz KXJWPNNOIQQZKN-JTQLQIEISA-N 0 0 322.394 0.606 50 0 DCAARN C[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@@H]1N1CCOCC1 ZINC000076053087 396194995 /nfs/dbraw/zinc/19/49/95/396194995.db2.gz LKPCJJVMSOISCX-OLZOCXBDSA-N 0 0 312.414 0.004 50 0 DCAARN COc1ccc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)nn1 ZINC000076053627 396195155 /nfs/dbraw/zinc/19/51/55/396195155.db2.gz JPUUUNVJHZYOKN-YPMHNXCESA-N 0 0 306.366 0.278 50 0 DCAARN COc1ccccc1CN1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC000076227303 396199036 /nfs/dbraw/zinc/19/90/36/396199036.db2.gz GQDOLKWENVNHGE-INIZCTEOSA-N 0 0 320.389 0.755 50 0 DCAARN CC(C)c1nnc([C@H]2CN(CCS(C)(=O)=O)CCO2)[nH]1 ZINC000078892789 396257077 /nfs/dbraw/zinc/25/70/77/396257077.db2.gz HAXICPLAGDQQEF-SNVBAGLBSA-N 0 0 302.400 0.346 50 0 DCAARN O=C(CCc1nc2cccnc2[nH]1)NCCN1CCOCC1 ZINC000079486455 396265965 /nfs/dbraw/zinc/26/59/65/396265965.db2.gz ZXRBSYNLQFWOQT-UHFFFAOYSA-N 0 0 303.366 0.339 50 0 DCAARN COCCNC(=O)[C@@H](C)n1cc(I)cn1 ZINC000079903779 396272524 /nfs/dbraw/zinc/27/25/24/396272524.db2.gz GSRITYSDHVTVLG-SSDOTTSWSA-N 0 0 323.134 0.811 50 0 DCAARN COC(=O)CN1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183756696 396274457 /nfs/dbraw/zinc/27/44/57/396274457.db2.gz PXMMKOYKIJLYLF-LBPRGKRZSA-N 0 0 304.412 0.486 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)[C@](C)(O)[C@@H](C)c2ccccc2)CCO1 ZINC000183986383 396280223 /nfs/dbraw/zinc/28/02/23/396280223.db2.gz ZIDNRAFQZWYCBC-RVSPLBMKSA-N 0 0 320.389 0.515 50 0 DCAARN O=C(c1c[nH]c(=O)cn1)N1CCC[C@H](OCc2cccnc2)C1 ZINC000077407425 396221531 /nfs/dbraw/zinc/22/15/31/396221531.db2.gz PVVNPUFPBMAYGR-ZDUSSCGKSA-N 0 0 314.345 0.986 50 0 DCAARN CC(C)N1C[C@H](C(=O)NCc2ncc3c(n2)CCC3)CC1=O ZINC000077421124 396221774 /nfs/dbraw/zinc/22/17/74/396221774.db2.gz OMWUUNDAONDQTB-GFCCVEGCSA-N 0 0 302.378 0.838 50 0 DCAARN NS(=O)(=O)CCCC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000077488908 396223807 /nfs/dbraw/zinc/22/38/07/396223807.db2.gz RSIXARRKRQYZSZ-JTQLQIEISA-N 0 0 300.384 0.184 50 0 DCAARN O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC[C@@H]1CCn1cccn1 ZINC000077486181 396224248 /nfs/dbraw/zinc/22/42/48/396224248.db2.gz SKUILHAAZCJIKC-LLVKDONJSA-N 0 0 317.349 0.757 50 0 DCAARN CC(C)n1cc(C(=O)N2CCC(NS(C)(=O)=O)CC2)cn1 ZINC000077522517 396224785 /nfs/dbraw/zinc/22/47/85/396224785.db2.gz ACIMOWSHAXOYFX-UHFFFAOYSA-N 0 0 314.411 0.618 50 0 DCAARN CNS(=O)(=O)CCCN(C)Cc1nc2ccccc2n1C ZINC000083243233 396314322 /nfs/dbraw/zinc/31/43/22/396314322.db2.gz CHJMMXLOLUWEHX-UHFFFAOYSA-N 0 0 310.423 0.944 50 0 DCAARN CC[C@@H](COC)NC(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000265851954 396346616 /nfs/dbraw/zinc/34/66/16/396346616.db2.gz ZHVWINITOPMBCT-NSHDSACASA-N 0 0 315.395 0.558 50 0 DCAARN C[C@@H]1CN(C(=O)NCCc2nnc3n2CCCCC3)C[C@H]1CO ZINC000190704551 396410396 /nfs/dbraw/zinc/41/03/96/396410396.db2.gz ZIHYZZSTHXVCLM-OLZOCXBDSA-N 0 0 321.425 0.817 50 0 DCAARN COc1ccc2ncn(C[C@H]3CN(C)C(=O)CO3)c(=O)c2c1 ZINC000584891924 396633870 /nfs/dbraw/zinc/63/38/70/396633870.db2.gz RESQVHUKIFKGIF-LLVKDONJSA-N 0 0 303.318 0.262 50 0 DCAARN Cc1cnn([C@@H](C)C(=O)N2CCN(Cc3nc[nH]n3)CC2)c1 ZINC000584890388 396634094 /nfs/dbraw/zinc/63/40/94/396634094.db2.gz JOQZWWGXVAUBEM-LBPRGKRZSA-N 0 0 303.370 0.215 50 0 DCAARN Cc1n[nH]c2c1CN(C(=O)c1cccc(-n3cnnc3)n1)CC2 ZINC000584890977 396634181 /nfs/dbraw/zinc/63/41/81/396634181.db2.gz GZAXYCUXMQWYBQ-UHFFFAOYSA-N 0 0 309.333 0.892 50 0 DCAARN Cc1nc(SCC(=O)NCCc2nc(C3CC3)no2)n[nH]1 ZINC000584896195 396634814 /nfs/dbraw/zinc/63/48/14/396634814.db2.gz NRLVQPKPZFKAEH-UHFFFAOYSA-N 0 0 308.367 0.825 50 0 DCAARN Cc1nnc(CCNC(=O)N2CCN3C(=O)OC[C@@H]3C2)s1 ZINC000584895969 396635046 /nfs/dbraw/zinc/63/50/46/396635046.db2.gz VITGNTYMDDKSGD-VIFPVBQESA-N 0 0 311.367 0.235 50 0 DCAARN CCN1C[C@@H](NC(=O)COCC(F)(F)C(F)F)CC1=O ZINC000584898194 396635818 /nfs/dbraw/zinc/63/58/18/396635818.db2.gz QOQNTXGRFUDBTC-ZETCQYMHSA-N 0 0 300.252 0.640 50 0 DCAARN CC(C)OCC1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC000584899504 396636401 /nfs/dbraw/zinc/63/64/01/396636401.db2.gz VFVCXUCGAJKJBO-LBPRGKRZSA-N 0 0 311.382 0.638 50 0 DCAARN CC1(C)NC(=O)N(CC(=O)NCCCC[C@@H]2CCCO2)C1=O ZINC000584899647 396636414 /nfs/dbraw/zinc/63/64/14/396636414.db2.gz UIEGCRWORPGSPT-LLVKDONJSA-N 0 0 311.382 0.782 50 0 DCAARN O=C(COc1ccccc1F)N[C@H](CO)[C@@H](O)c1ccccn1 ZINC000585134092 396640690 /nfs/dbraw/zinc/64/06/90/396640690.db2.gz DMEAOHJSEZAKIT-CJNGLKHVSA-N 0 0 320.320 0.810 50 0 DCAARN CCS(=O)(=O)NCCNC(=O)C1(Nc2ccccc2)CC1 ZINC000585141198 396641260 /nfs/dbraw/zinc/64/12/60/396641260.db2.gz REKFBHDMMKOXKZ-UHFFFAOYSA-N 0 0 311.407 0.687 50 0 DCAARN O=C(NCCn1cc(-c2ccncc2)cn1)N1CCOCC1 ZINC000585148418 396642138 /nfs/dbraw/zinc/64/21/38/396642138.db2.gz OFUXZIJSCSYQSG-UHFFFAOYSA-N 0 0 301.350 0.987 50 0 DCAARN O=C(CN1CCN2C(=O)OC[C@@H]2C1)N1CCc2ccccc21 ZINC000374559148 396672345 /nfs/dbraw/zinc/67/23/45/396672345.db2.gz MAJRCTPODSQAMC-ZDUSSCGKSA-N 0 0 301.346 0.712 50 0 DCAARN CN(Cc1noc(C2CC2)n1)[C@@H]1CCN([C@H]2CCOC2=O)C1 ZINC000299754257 396714034 /nfs/dbraw/zinc/71/40/34/396714034.db2.gz RWRYHVFMNGPZLZ-NEPJUHHUSA-N 0 0 306.366 0.769 50 0 DCAARN CCNS(=O)(=O)[C@@H]1CCN(C[C@](C)(O)C(F)(F)F)C1 ZINC000375622951 396783015 /nfs/dbraw/zinc/78/30/15/396783015.db2.gz DGCXYBYQLXWQGX-BDAKNGLRSA-N 0 0 304.334 0.313 50 0 DCAARN NC(=O)c1coc(CNC(=O)c2cccc3c2OCCCO3)n1 ZINC000617486720 396733893 /nfs/dbraw/zinc/73/38/93/396733893.db2.gz AOTFFELBIREIOZ-UHFFFAOYSA-N 0 0 317.301 0.865 50 0 DCAARN O=C(c1ccc(=O)[nH]n1)N1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC000390828699 397302968 /nfs/dbraw/zinc/30/29/68/397302968.db2.gz TTXOILVVQCAXRX-SECBINFHSA-N 0 0 305.269 0.405 50 0 DCAARN COCC(=O)N1CCC(n2cnc3ncccc3c2=O)CC1 ZINC000390832518 397303627 /nfs/dbraw/zinc/30/36/27/397303627.db2.gz ZWLVBEVHBVARAR-UHFFFAOYSA-N 0 0 302.334 0.601 50 0 DCAARN Cc1ccc(N2CC(=O)N[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000102790047 292128987 /nfs/dbraw/zinc/12/89/87/292128987.db2.gz YDLVTWODJUFORV-VXGBXAGGSA-N 0 0 314.794 0.750 50 0 DCAARN COCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000096181760 292360664 /nfs/dbraw/zinc/36/06/64/292360664.db2.gz QYTDEPOKOXXABA-HUUCEWRRSA-N 0 0 324.352 0.877 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCNC(=O)CC2)cc1Cl ZINC000042158073 157993922 /nfs/dbraw/zinc/99/39/22/157993922.db2.gz CPYTXQABICANCT-UHFFFAOYSA-N 0 0 318.782 0.859 50 0 DCAARN CCN(C)S(=O)(=O)N[C@H]1COc2c(cccc2OC)C1 ZINC000072709561 158052751 /nfs/dbraw/zinc/05/27/51/158052751.db2.gz TWGZZTKUJUUHRX-LLVKDONJSA-N 0 0 300.380 0.785 50 0 DCAARN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@H](F)C[C@@H]1CO ZINC000330180894 159148239 /nfs/dbraw/zinc/14/82/39/159148239.db2.gz NPZRTDIIFNJSKG-FDYHWXHSSA-N 0 0 311.357 0.912 50 0 DCAARN C[C@H](Oc1cccnc1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000330534495 159187901 /nfs/dbraw/zinc/18/79/01/159187901.db2.gz USBPOOXEHOGYCE-JQWIXIFHSA-N 0 0 313.379 0.128 50 0 DCAARN NC(=O)C1(NC(=O)c2cccc([C@H]3CCOC3)c2)CCOCC1 ZINC000372839457 159646647 /nfs/dbraw/zinc/64/66/47/159646647.db2.gz RPPVMAYGLMQUPF-AWEZNQCLSA-N 0 0 318.373 0.955 50 0 DCAARN CCCn1cc(CN2CCN(S(=O)(=O)CC)CC2)cn1 ZINC000127242063 286976616 /nfs/dbraw/zinc/97/66/16/286976616.db2.gz RWHNGBYDGBQEPI-UHFFFAOYSA-N 0 0 300.428 0.760 50 0 DCAARN CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(C)o1 ZINC000332736307 287146687 /nfs/dbraw/zinc/14/66/87/287146687.db2.gz YMBQTZRFKKGZCR-JTQLQIEISA-N 0 0 322.408 0.290 50 0 DCAARN COCCN1CCC[C@@]2(CCN(C(=O)c3ccnn3C)C2)C1=O ZINC000091725661 292532644 /nfs/dbraw/zinc/53/26/44/292532644.db2.gz SMJZWWYGIYNDEP-INIZCTEOSA-N 0 0 320.393 0.521 50 0 DCAARN CS(=O)(=O)NCCCn1nc(-c2cccs2)ccc1=O ZINC000013799877 415150090 /nfs/dbraw/zinc/15/00/90/415150090.db2.gz BEKPVEUYDAXBAO-UHFFFAOYSA-N 0 0 313.404 0.911 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000011332216 415150570 /nfs/dbraw/zinc/15/05/70/415150570.db2.gz YZWBKKDGCMIOAW-GFCCVEGCSA-N 0 0 320.324 0.072 50 0 DCAARN CN1N=C(C(=O)N2CCN(Cc3ccccc3)CC2)CCC1=O ZINC000017358021 415155375 /nfs/dbraw/zinc/15/53/75/415155375.db2.gz XNANQEQQDTUIIC-UHFFFAOYSA-N 0 0 314.389 0.939 50 0 DCAARN CC(=O)Nc1ccc(CNC(=O)c2ccc(=O)n(C)n2)cc1 ZINC000025554036 415161439 /nfs/dbraw/zinc/16/14/39/415161439.db2.gz OGISTDUJUVUDMN-UHFFFAOYSA-N 0 0 300.318 0.669 50 0 DCAARN Cc1ccc(C2Cn3c(nc4c3c(=O)n(C)c(=O)n4C)N=N2)cc1 ZINC000004626217 415131282 /nfs/dbraw/zinc/13/12/82/415131282.db2.gz OQUDYSJGXFOLNJ-UHFFFAOYSA-N 0 0 324.344 0.572 50 0 DCAARN NC(=O)COC(=O)c1cc(I)ccc1N ZINC000007226560 415135842 /nfs/dbraw/zinc/13/58/42/415135842.db2.gz NXQCGDZASDODEV-UHFFFAOYSA-N 0 0 320.086 0.516 50 0 DCAARN Cc1nsc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)n1 ZINC000266336665 415138257 /nfs/dbraw/zinc/13/82/57/415138257.db2.gz BNLMPCJOJIVLFC-LBPRGKRZSA-N 0 0 309.351 0.506 50 0 DCAARN C[C@@H](O)Cn1c2c(nc1N1CCC[C@H](C)C1)n(C)c(=O)[nH]c2=O ZINC000007425772 415141428 /nfs/dbraw/zinc/14/14/28/415141428.db2.gz HCCSGHREVNYPGU-VHSXEESVSA-N 0 0 321.381 0.040 50 0 DCAARN O=C(Cn1cnnn1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000008707508 415143321 /nfs/dbraw/zinc/14/33/21/415143321.db2.gz NPXNPHOGIBTRPQ-UHFFFAOYSA-N 0 0 322.756 0.802 50 0 DCAARN Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1-c1ccc(O)cc1 ZINC000012549620 415148057 /nfs/dbraw/zinc/14/80/57/415148057.db2.gz KBOHORWBHDRPQC-UHFFFAOYSA-N 0 0 311.301 0.679 50 0 biogenic DCAARN CNS(=O)(=O)c1cc(C(=O)NCc2cccnc2)n(C)c1 ZINC000027062368 415168493 /nfs/dbraw/zinc/16/84/93/415168493.db2.gz LTIBBDWUIUMWLE-UHFFFAOYSA-N 0 0 308.363 0.258 50 0 DCAARN CCCN(CC(=O)NC(N)=O)C[C@@H]1COc2ccccc2O1 ZINC000026663541 415169909 /nfs/dbraw/zinc/16/99/09/415169909.db2.gz CQYXHWDBGYUNEJ-LLVKDONJSA-N 0 0 307.350 0.733 50 0 DCAARN C[C@@H](NC(=O)Cn1nnn(-c2cccs2)c1=O)[C@@H]1CCCO1 ZINC000027893219 415173876 /nfs/dbraw/zinc/17/38/76/415173876.db2.gz INTJBTCCCDTTRD-ZJUUUORDSA-N 0 0 323.378 0.174 50 0 DCAARN CN(C)S(=O)(=O)N1CC(=O)N2CCc3ccccc3[C@H]2C1 ZINC000036071036 415190025 /nfs/dbraw/zinc/19/00/25/415190025.db2.gz GEUXWSCTPCHSSG-CYBMUJFWSA-N 0 0 309.391 0.234 50 0 DCAARN COCCNC(=O)[C@H](C)S(=O)(=O)c1cccc(OC)c1 ZINC000044947662 415236699 /nfs/dbraw/zinc/23/66/99/415236699.db2.gz YOSSQGCZVCWJIL-JTQLQIEISA-N 0 0 301.364 0.620 50 0 DCAARN O=C(NCCCn1nc2n(c1=O)CCCC2)Nc1cccnc1 ZINC000044972181 415239450 /nfs/dbraw/zinc/23/94/50/415239450.db2.gz HLCNOAGLDDNDCO-UHFFFAOYSA-N 0 0 316.365 0.988 50 0 DCAARN COc1ncccc1CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000044968813 415239531 /nfs/dbraw/zinc/23/95/31/415239531.db2.gz QNYBIVAMCOYZDG-LLVKDONJSA-N 0 0 313.379 0.419 50 0 DCAARN C[C@@H]1CN(CCNC(=O)NCCNc2cnccn2)C[C@@H](C)O1 ZINC000045524014 415245320 /nfs/dbraw/zinc/24/53/20/415245320.db2.gz WSPSCVGJIDLRQS-CHWSQXEVSA-N 0 0 322.413 0.297 50 0 DCAARN Cc1ccc2nnc(C(=O)N[C@H]3CCS(=O)(=O)C3)nc2c1 ZINC000046088612 415256632 /nfs/dbraw/zinc/25/66/32/415256632.db2.gz JOSAZNQWHBJJGL-VIFPVBQESA-N 0 0 306.347 0.250 50 0 DCAARN c1cc(N2CCC(c3nnc4n3CCC4)CC2)nn2nnnc12 ZINC000047253292 415266415 /nfs/dbraw/zinc/26/64/15/415266415.db2.gz OQPQXROSVWAWMK-UHFFFAOYSA-N 0 0 311.353 0.441 50 0 DCAARN CCCNC(=O)[C@H](C)N1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000047951974 415282275 /nfs/dbraw/zinc/28/22/75/415282275.db2.gz NSAUEUZHWHLVCY-LBPRGKRZSA-N 0 0 321.425 0.529 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 ZINC000044721444 415224185 /nfs/dbraw/zinc/22/41/85/415224185.db2.gz QFEBBGNAYOJDDI-NSHDSACASA-N 0 0 320.374 0.432 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc(=O)[nH]c2ccccc21 ZINC000044717841 415225217 /nfs/dbraw/zinc/22/52/17/415225217.db2.gz NOLONNLVPLDKEJ-JTQLQIEISA-N 0 0 320.370 0.693 50 0 DCAARN NC(=O)[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)C1 ZINC000044893709 415229057 /nfs/dbraw/zinc/22/90/57/415229057.db2.gz GJTPHPIIUOUKFK-WCQYABFASA-N 0 0 302.330 0.492 50 0 DCAARN COC(=O)C[C@@H](NC(=O)Cn1cnnn1)c1ccccc1Cl ZINC000044889134 415229636 /nfs/dbraw/zinc/22/96/36/415229636.db2.gz HWSMVEIFZMQPGJ-LLVKDONJSA-N 0 0 323.740 0.747 50 0 DCAARN CN(C)c1nc(N)nc(Cn2nnc(-c3cccs3)n2)n1 ZINC000044890584 415229891 /nfs/dbraw/zinc/22/98/91/415229891.db2.gz APOWOYIHHWROPN-UHFFFAOYSA-N 0 0 303.355 0.283 50 0 DCAARN Cc1cc(C(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)no1 ZINC000044916318 415230492 /nfs/dbraw/zinc/23/04/92/415230492.db2.gz HGQQYMZWOJBROP-TZMCWYRMSA-N 0 0 309.366 0.450 50 0 DCAARN C[C@H](Cc1ccco1)NC(=O)NC1CCN(CC(N)=O)CC1 ZINC000044914886 415230961 /nfs/dbraw/zinc/23/09/61/415230961.db2.gz KDSDHETZBRTGDL-LLVKDONJSA-N 0 0 308.382 0.460 50 0 DCAARN Cc1cc(C(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)on1 ZINC000044911402 415231570 /nfs/dbraw/zinc/23/15/70/415231570.db2.gz PDLQHENTSJPSID-QWHCGFSZSA-N 0 0 309.366 0.450 50 0 DCAARN O=C(NCc1cccnc1-n1cncn1)c1cn2cccnc2n1 ZINC000048264099 415286899 /nfs/dbraw/zinc/28/68/99/415286899.db2.gz RXTOIZAZIJSAAU-UHFFFAOYSA-N 0 0 320.316 0.635 50 0 DCAARN C[C@@H]1CN(CCNc2cncc(-n3cncn3)n2)C[C@H](C)O1 ZINC000048354015 415291391 /nfs/dbraw/zinc/29/13/91/415291391.db2.gz NHRLRWSQERGXAJ-TXEJJXNPSA-N 0 0 303.370 0.578 50 0 DCAARN O=c1cc(CN2CCN(c3cnccn3)CC2)nc2ccccn12 ZINC000048345268 415292196 /nfs/dbraw/zinc/29/21/96/415292196.db2.gz QSULCTCERJPTFA-UHFFFAOYSA-N 0 0 322.372 0.807 50 0 DCAARN CN(C)c1ccc(NC(=O)CCNC(=O)c2cnccn2)cn1 ZINC000048310616 415293007 /nfs/dbraw/zinc/29/30/07/415293007.db2.gz YFYCHXGLXYRGCC-UHFFFAOYSA-N 0 0 314.349 0.696 50 0 DCAARN O=S1(=O)CC[C@H](N2CCN(Cn3cc(Cl)cn3)CC2)C1 ZINC000049320231 415306209 /nfs/dbraw/zinc/30/62/09/415306209.db2.gz AJBXNNAZHXIWGS-LBPRGKRZSA-N 0 0 318.830 0.299 50 0 DCAARN Cc1nonc1CN1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000058157667 415341696 /nfs/dbraw/zinc/34/16/96/415341696.db2.gz OVXBSCIUEPEYTM-OAHLLOKOSA-N 0 0 315.377 0.722 50 0 DCAARN COc1ccc(C(=O)N[C@H](C)C(=O)N2CCOCC2)cc1OC ZINC000068736665 415393133 /nfs/dbraw/zinc/39/31/33/415393133.db2.gz OEFKLOWKKILERS-LLVKDONJSA-N 0 0 322.361 0.681 50 0 DCAARN CN(C)C(=O)CNc1cccc(C(=O)N2CCC[C@@H](O)C2)c1 ZINC000066825306 415365629 /nfs/dbraw/zinc/36/56/29/415365629.db2.gz ZDJMUNIVFOHBLT-CQSZACIVSA-N 0 0 305.378 0.784 50 0 DCAARN Cc1ccc(CN2CCO[C@H](CN(C)CC(N)=O)C2)c(C)c1 ZINC000275472095 415374336 /nfs/dbraw/zinc/37/43/36/415374336.db2.gz AOPXMBIGPDTJNA-MRXNPFEDSA-N 0 0 305.422 0.921 50 0 DCAARN Cc1nc(NCCNC(=O)[C@H]2CCCO2)cc(-n2cccn2)n1 ZINC000067629480 415377905 /nfs/dbraw/zinc/37/79/05/415377905.db2.gz KTFAZHWQQOKLMM-GFCCVEGCSA-N 0 0 316.365 0.678 50 0 DCAARN CC[C@@H](O)CNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 ZINC000067605468 415379330 /nfs/dbraw/zinc/37/93/30/415379330.db2.gz GPEPVAJYCWTFLS-LLVKDONJSA-N 0 0 300.380 0.452 50 0 DCAARN CCOCCNC(=O)Cn1cc(I)cn1 ZINC000084506336 415498211 /nfs/dbraw/zinc/49/82/11/415498211.db2.gz YGVRNFVQGCHSCK-UHFFFAOYSA-N 0 0 323.134 0.640 50 0 DCAARN CC[C@]1(C)NC(=O)N(NC(=O)[C@H]2Cc3ccccc3O2)C1=O ZINC000278867138 415498445 /nfs/dbraw/zinc/49/84/45/415498445.db2.gz UYFYOKONNZYHEV-ABAIWWIYSA-N 0 0 303.318 0.742 50 0 DCAARN O=S(=O)(c1ccccc1)N1CCN(CCn2ccnc2)CC1 ZINC000075158037 415438198 /nfs/dbraw/zinc/43/81/98/415438198.db2.gz AJJZOGXHEJGSAF-UHFFFAOYSA-N 0 0 320.418 0.890 50 0 DCAARN CSCC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(C)on1 ZINC000075157607 415438857 /nfs/dbraw/zinc/43/88/57/415438857.db2.gz QLXLAZFVXNPJAW-GFCCVEGCSA-N 0 0 301.368 0.542 50 0 DCAARN O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(N2CCOCC2)nn1 ZINC000075172710 415443334 /nfs/dbraw/zinc/44/33/34/415443334.db2.gz MWDKCLKJYXYNFS-UHFFFAOYSA-N 0 0 324.344 0.864 50 0 DCAARN O=C(Cc1ccc2c(c1)OCCO2)N1CCN(CCO)CC1 ZINC000075568070 415444664 /nfs/dbraw/zinc/44/46/64/415444664.db2.gz XBLUSCSVUTZZRB-UHFFFAOYSA-N 0 0 306.362 0.137 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1 ZINC000075602875 415444729 /nfs/dbraw/zinc/44/47/29/415444729.db2.gz JYMHXDAQCIMWAY-GFCCVEGCSA-N 0 0 315.373 0.667 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)NC(C)(C)C(=O)OC)C1 ZINC000343229837 415509279 /nfs/dbraw/zinc/50/92/79/415509279.db2.gz ZZPVZOWWVQBOAI-SNVBAGLBSA-N 0 0 320.411 0.116 50 0 DCAARN C[C@H]1CN(CC(=O)NC2CCOCC2)CCN1c1nccs1 ZINC000095351875 415548104 /nfs/dbraw/zinc/54/81/04/415548104.db2.gz LGWVWUSGEMWVMD-LBPRGKRZSA-N 0 0 324.450 0.949 50 0 DCAARN CCNC(=O)CNC(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000095349239 415549080 /nfs/dbraw/zinc/54/90/80/415549080.db2.gz JZNIXWNBDKSNDU-UHFFFAOYSA-N 0 0 305.334 0.202 50 0 DCAARN CCc1nnc(N2CCN(c3cc(C)nc4ncnn43)CC2)o1 ZINC000095352194 415549958 /nfs/dbraw/zinc/54/99/58/415549958.db2.gz ABDLXOJSMTWBMK-UHFFFAOYSA-N 0 0 314.353 0.705 50 0 DCAARN CC(C)CN1CC2(CC1=O)CCN(C(=O)[C@H]1CNC(=O)N1)CC2 ZINC000095383558 415559339 /nfs/dbraw/zinc/55/93/39/415559339.db2.gz GNPHWUQQAIBJDB-GFCCVEGCSA-N 0 0 322.409 0.165 50 0 DCAARN COC(=O)[C@H](NC(=O)c1cccc(-n2cccn2)c1)[C@@H](C)O ZINC000095945607 415563287 /nfs/dbraw/zinc/56/32/87/415563287.db2.gz SJCBNVHPZLZNTO-ZWNOBZJWSA-N 0 0 303.318 0.525 50 0 DCAARN COc1ccc(N2C(=O)C[C@H](N3CCN(C)CC3)C2=O)cc1 ZINC000095532290 415563711 /nfs/dbraw/zinc/56/37/11/415563711.db2.gz GZQUZHSNIKHHNE-AWEZNQCLSA-N 0 0 303.362 0.575 50 0 DCAARN CC(C)[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccccc1 ZINC000095961719 415569429 /nfs/dbraw/zinc/56/94/29/415569429.db2.gz HCSDFFJIVLQPQU-NSHDSACASA-N 0 0 302.334 0.773 50 0 DCAARN Cn1cnc(S(=O)(=O)N2CCC3(CC2)OCCCO3)c1 ZINC000096025922 415572691 /nfs/dbraw/zinc/57/26/91/415572691.db2.gz URBKTNFRFBDKKB-UHFFFAOYSA-N 0 0 301.368 0.338 50 0 DCAARN CC/C=C(\C)C(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000102941888 415603062 /nfs/dbraw/zinc/60/30/62/415603062.db2.gz LIOGAVCBSWZRKP-NHFJXKHHSA-N 0 0 318.439 0.898 50 0 DCAARN Cn1nccc1CNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000103140296 415609946 /nfs/dbraw/zinc/60/99/46/415609946.db2.gz FRAUTNZHZMUDHZ-TXEJJXNPSA-N 0 0 304.350 0.212 50 0 DCAARN COc1ccnc(N2CCC(C(=O)Nc3n[nH]c(C)n3)CC2)n1 ZINC000103256008 415613017 /nfs/dbraw/zinc/61/30/17/415613017.db2.gz VTIDSFPIHKERIZ-UHFFFAOYSA-N 0 0 317.353 0.767 50 0 DCAARN O=C(N[C@H]1C=CS(=O)(=O)C1)c1cc2c([nH]c1=O)CCCC2 ZINC000096152464 415578194 /nfs/dbraw/zinc/57/81/94/415578194.db2.gz RBWDAEOZSLZYTJ-JTQLQIEISA-N 0 0 308.359 0.294 50 0 DCAARN CC(C)(Cc1ccccc1)C(=O)N1CCN(C(=O)CO)CC1 ZINC000097047442 415580617 /nfs/dbraw/zinc/58/06/17/415580617.db2.gz WNASEQQOLFEJHV-UHFFFAOYSA-N 0 0 304.390 0.918 50 0 DCAARN CC(CO)(CO)NC(=O)Cc1cc(F)ccc1Br ZINC000097098089 415580955 /nfs/dbraw/zinc/58/09/55/415580955.db2.gz YTXRYFVIXUBGQK-UHFFFAOYSA-N 0 0 320.158 0.990 50 0 DCAARN CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000097117485 415587021 /nfs/dbraw/zinc/58/70/21/415587021.db2.gz TXAULBSEJQHXAP-QMMMGPOBSA-N 0 0 305.256 0.926 50 0 DCAARN CCOC(=O)N1CCN(C(=O)[C@H]2CCCCn3nnnc32)CC1 ZINC000097773245 415589747 /nfs/dbraw/zinc/58/97/47/415589747.db2.gz SWRAUTZSZITISK-NSHDSACASA-N 0 0 322.369 0.241 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](F)CN1c1cc(C(F)(F)F)nc2ncnn21 ZINC000284472605 415598977 /nfs/dbraw/zinc/59/89/77/415598977.db2.gz DWCLONLWTLUJSY-RITPCOANSA-N 0 0 318.234 0.545 50 0 DCAARN O=C(N[C@@H]1C[C@H](O)[C@H](CO)C1)c1ccc(Br)o1 ZINC000107286977 415662245 /nfs/dbraw/zinc/66/22/45/415662245.db2.gz URESZLFAHVMLPI-FXQIFTODSA-N 0 0 304.140 0.904 50 0 DCAARN CN(Cc1noc(C2CC2)n1)[C@@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC000108087138 415674790 /nfs/dbraw/zinc/67/47/90/415674790.db2.gz QFXWUFJWRYLDLK-CHWSQXEVSA-N 0 0 319.409 0.684 50 0 DCAARN Cc1c[nH]cc(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)c1=O ZINC000333545874 415678863 /nfs/dbraw/zinc/67/88/63/415678863.db2.gz ONOYQNQTXTXQSC-JTQLQIEISA-N 0 0 303.322 0.874 50 0 DCAARN CCC(=O)N1CCN(C(=O)c2nn(C)cc2Br)C1 ZINC000333563580 415686270 /nfs/dbraw/zinc/68/62/70/415686270.db2.gz LIRPDZDJPOHHLC-UHFFFAOYSA-N 0 0 315.171 0.835 50 0 DCAARN Cc1ncc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)[nH]1 ZINC000336924149 415864461 /nfs/dbraw/zinc/86/44/61/415864461.db2.gz TWSLAELVHVCFEW-UHFFFAOYSA-N 0 0 308.363 0.338 50 0 DCAARN CC(=O)N1CC(NC(=O)c2nnn(-c3ccc(C)cc3)c2C)C1 ZINC000173034223 416052363 /nfs/dbraw/zinc/05/23/63/416052363.db2.gz ORRKEGJJGMHDCS-UHFFFAOYSA-N 0 0 313.361 0.845 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(OC)cc2OC)CN1 ZINC000299755457 416064564 /nfs/dbraw/zinc/06/45/64/416064564.db2.gz CLPJJHCLEQBULC-SKDRFNHKSA-N 0 0 308.334 0.337 50 0 DCAARN Cn1ccnc1CN(CCO)c1cc([C@@H]2CCOC2)nc(N)n1 ZINC000299774682 416065868 /nfs/dbraw/zinc/06/58/68/416065868.db2.gz HXMOIOMNFCMBQH-LLVKDONJSA-N 0 0 318.381 0.295 50 0 DCAARN CCc1nc(C)c(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)s1 ZINC000299767707 416066090 /nfs/dbraw/zinc/06/60/90/416066090.db2.gz JAIHOBQWAHCJAR-VIFPVBQESA-N 0 0 317.436 0.765 50 0 DCAARN COCCN1C[C@@H](CNC(=O)c2ccc(C)c(O)c2)CC1=O ZINC000299782546 416067072 /nfs/dbraw/zinc/06/70/72/416067072.db2.gz SVQMTJVTISXQNV-GFCCVEGCSA-N 0 0 306.362 0.925 50 0 DCAARN CCc1nccc(CN2CC[C@H]3[C@H](C2)OCc2cnnn23)n1 ZINC000299782115 416067602 /nfs/dbraw/zinc/06/76/02/416067602.db2.gz FLNZDOZZJPNYDL-KBPBESRZSA-N 0 0 300.366 0.976 50 0 DCAARN COc1ccc2[nH]c(CCNC(=O)[C@@H]3COCCO3)nc2c1 ZINC000299776775 416068118 /nfs/dbraw/zinc/06/81/18/416068118.db2.gz HFCTUEJYJQFDOF-ZDUSSCGKSA-N 0 0 305.334 0.646 50 0 DCAARN CC(C)Cc1cc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)on1 ZINC000299787159 416068627 /nfs/dbraw/zinc/06/86/27/416068627.db2.gz PKXRKBNVAJIDIH-JTQLQIEISA-N 0 0 315.395 0.624 50 0 DCAARN CN(C)C(=O)CN1CCCN(C(=O)Cc2ccncc2)CC1 ZINC000299799078 416070875 /nfs/dbraw/zinc/07/08/75/416070875.db2.gz VAZCNDJTFYQWKJ-UHFFFAOYSA-N 0 0 304.394 0.247 50 0 DCAARN O=C(NCCN1C(=O)NC2(CC2)C1=O)c1c(F)cccc1F ZINC000170592595 416027308 /nfs/dbraw/zinc/02/73/08/416027308.db2.gz RYXPDCLMGFCACJ-UHFFFAOYSA-N 0 0 309.272 0.779 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)NCCc1nc2c(s1)CCCC2 ZINC000179158803 416183319 /nfs/dbraw/zinc/18/33/19/416183319.db2.gz MSXAWJQDGKIVQB-VIFPVBQESA-N 0 0 322.390 0.279 50 0 DCAARN C[C@H]1CN(c2nc3c(cnn3C)c(N)n2)C[C@@]2(CCCOC2)O1 ZINC000253430128 416334781 /nfs/dbraw/zinc/33/47/81/416334781.db2.gz JNYUBIJOMMUVTB-ZUZCIYMTSA-N 0 0 318.381 0.720 50 0 DCAARN O=C(NCc1cn2c(n1)CCCC2)N[C@@H]1CCc2ncnn2C1 ZINC000264913291 416339782 /nfs/dbraw/zinc/33/97/82/416339782.db2.gz QHSSJTQBYDXMIA-LLVKDONJSA-N 0 0 315.381 0.625 50 0 DCAARN CC(C)C1=NO[C@H](C(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000215159011 416326957 /nfs/dbraw/zinc/32/69/57/416326957.db2.gz MQLRFCQCLKIUBS-ZDUSSCGKSA-N 0 0 303.366 0.926 50 0 DCAARN Cc1cc(C(=O)N2CCC(=O)N(CC[NH+](C)C)CC2)cc(C)n1 ZINC000215381131 416327052 /nfs/dbraw/zinc/32/70/52/416327052.db2.gz AWRUOMMPZOABNG-UHFFFAOYSA-N 0 0 318.421 0.935 50 0 DCAARN CC(C)C1=NO[C@@H](C(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000215159055 416327060 /nfs/dbraw/zinc/32/70/60/416327060.db2.gz MQLRFCQCLKIUBS-CYBMUJFWSA-N 0 0 303.366 0.926 50 0 DCAARN Cc1nonc1OCCNC(=O)c1cc(CC(C)C)nc(N)n1 ZINC000215071096 416327109 /nfs/dbraw/zinc/32/71/09/416327109.db2.gz SZLPBXJKMIAALW-UHFFFAOYSA-N 0 0 320.353 0.758 50 0 DCAARN Cc1cnc(C)c(N2CCN(C(=O)CNC(=O)N(C)C)CC2)n1 ZINC000216536750 416327446 /nfs/dbraw/zinc/32/74/46/416327446.db2.gz RCWRODOGCDGXCQ-UHFFFAOYSA-N 0 0 320.397 0.013 50 0 DCAARN COCCOCCC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000225510576 416327738 /nfs/dbraw/zinc/32/77/38/416327738.db2.gz OXCAWLHHXQFAGA-AWEZNQCLSA-N 0 0 324.425 0.867 50 0 DCAARN CCO[C@@H]1C[C@](O)(CNC(=O)[C@H](C)S(C)(=O)=O)C1(C)C ZINC000225356236 416327781 /nfs/dbraw/zinc/32/77/81/416327781.db2.gz WDZBEPJSBIBZCJ-CWSCBRNRSA-N 0 0 307.412 0.102 50 0 DCAARN C[C@@H](C(=O)[O-])[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000237583310 416328636 /nfs/dbraw/zinc/32/86/36/416328636.db2.gz HUZUPFURXAVDFW-HZSPNIEDSA-N 0 0 311.426 0.772 50 0 DCAARN CN1CCN(NS(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000243529733 416330561 /nfs/dbraw/zinc/33/05/61/416330561.db2.gz OCQSAUJOTKGDSU-UHFFFAOYSA-N 0 0 303.815 0.922 50 0 DCAARN O=C1NCCN(CCCn2cnnn2)[C@H]1c1cccc(F)c1 ZINC000244715917 416330645 /nfs/dbraw/zinc/33/06/45/416330645.db2.gz LEPINYMULPTCBK-ZDUSSCGKSA-N 0 0 304.329 0.375 50 0 DCAARN CC(C)c1cc(CN(C)C(=O)CCNS(C)(=O)=O)no1 ZINC000244701050 416330648 /nfs/dbraw/zinc/33/06/48/416330648.db2.gz JZEGMOGRJWORLQ-UHFFFAOYSA-N 0 0 303.384 0.696 50 0 DCAARN C[NH+](C)CCOc1ccccc1CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000244678654 416330854 /nfs/dbraw/zinc/33/08/54/416330854.db2.gz IHQAWDUOUHFDJA-KGLIPLIRSA-N 0 0 308.378 0.647 50 0 DCAARN C[C@@H]1NC(=O)[C@H](C)N(C(=O)Nc2ccc(C3CC3)nn2)[C@H]1C ZINC000583651047 416480097 /nfs/dbraw/zinc/48/00/97/416480097.db2.gz FUXKJGYEVUXLRE-GUBZILKMSA-N 0 0 303.366 1.483 50 0 DCAARN CCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)OCC ZINC000436332312 416554583 /nfs/dbraw/zinc/55/45/83/416554583.db2.gz HTPAXLRBFJQFFY-WDEREUQCSA-N 0 0 305.396 0.611 50 0 DCAARN COc1ccsc1S(=O)(=O)N(C)[C@@H]1CCC(=O)N(C)C1 ZINC000585114573 416517595 /nfs/dbraw/zinc/51/75/95/416517595.db2.gz JZNCETNIVGFLHW-SECBINFHSA-N 0 0 318.420 0.998 50 0 DCAARN C[C@@H]1NC(=O)[C@H](C)N(S(=O)(=O)c2cccc3c2OCC3)[C@H]1C ZINC000585115147 416517872 /nfs/dbraw/zinc/51/78/72/416517872.db2.gz OJFMAHHSXWBODO-DCAQKATOSA-N 0 0 324.402 0.908 50 0 DCAARN COC(=O)c1cccc(OC)c1CN1CCO[C@@H](C(N)=O)C1 ZINC000585116772 416517955 /nfs/dbraw/zinc/51/79/55/416517955.db2.gz HYOTWUALGRHOMQ-CYBMUJFWSA-N 0 0 308.334 0.168 50 0 DCAARN CO[C@]1(CO)CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000585113584 416517985 /nfs/dbraw/zinc/51/79/85/416517985.db2.gz GKFXBGRQRLWGSN-MRXNPFEDSA-N 0 0 324.352 0.555 50 0 DCAARN CCS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CCOC2)CC1 ZINC000541654436 416610003 /nfs/dbraw/zinc/61/00/03/416610003.db2.gz SYXMENPLTWTIDW-GFCCVEGCSA-N 0 0 304.412 0.201 50 0 DCAARN C[C@H](NC(=O)c1ccc2c(c1)N(C)C(=O)CO2)c1nncn1C ZINC000527993782 417290552 /nfs/dbraw/zinc/29/05/52/417290552.db2.gz DJDKYWLSDKVYIY-VIFPVBQESA-N 0 0 315.333 0.661 50 0 DCAARN CCOCC(=O)NC1CCN(c2nccn3c(C)nnc23)CC1 ZINC000575414736 417535273 /nfs/dbraw/zinc/53/52/73/417535273.db2.gz LVGBODICYZWSEK-UHFFFAOYSA-N 0 0 318.381 0.554 50 0 DCAARN COCCOc1cccc(C(=O)N2C[C@H](O)C[C@H]2COC)c1 ZINC000652780026 417966940 /nfs/dbraw/zinc/96/69/40/417966940.db2.gz CIQLTLOQNCHHHM-UONOGXRCSA-N 0 0 309.362 0.934 50 0 DCAARN COC1CCN(S(=O)(=O)NCc2nc(C)cs2)CC1 ZINC000656868966 418380497 /nfs/dbraw/zinc/38/04/97/418380497.db2.gz YPXMAJQLOQWZDJ-UHFFFAOYSA-N 0 0 305.425 0.897 50 0 DCAARN CCn1ncc(CNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)n1 ZINC000527814916 272623470 /nfs/dbraw/zinc/62/34/70/272623470.db2.gz ZCFNKGDCBVJKPV-FOGDFJRCSA-N 0 0 306.370 0.107 50 0 DCAARN CC(=O)N[C@H](C(=O)NC[C@H](C(C)C)N1CCOCC1)C(C)C ZINC000042028306 277050995 /nfs/dbraw/zinc/05/09/95/277050995.db2.gz ZJZQWNIRUUNHTH-CABCVRRESA-N 0 0 313.442 0.620 50 0 DCAARN C[C@@H](C(=O)NCC1(N2CCOCC2)CCCCC1)n1cncn1 ZINC000044576758 277552105 /nfs/dbraw/zinc/55/21/05/277552105.db2.gz AHWDRIIRRLTCKV-AWEZNQCLSA-N 0 0 321.425 0.990 50 0 DCAARN CO[C@@H]1CCCOC12CCN(C(=O)c1ccc(=O)n(C)n1)CC2 ZINC000095357635 277646427 /nfs/dbraw/zinc/64/64/27/277646427.db2.gz HGHJWOHRCRTVRT-CYBMUJFWSA-N 0 0 321.377 0.581 50 0 DCAARN CSC1=NN[C@H]2[C@H](N1)[C@@H](C(C)=O)C(=O)N2c1ccccc1 ZINC000103198888 278126396 /nfs/dbraw/zinc/12/63/96/278126396.db2.gz DQZQSFIODUGNKW-IJLUTSLNSA-N 0 0 304.375 0.760 50 0 DCAARN CC(C)C[C@@H](NC(=O)c1cc2n(n1)CCNC2)c1ncnn1C ZINC000065372231 279000628 /nfs/dbraw/zinc/00/06/28/279000628.db2.gz WGOJTUKWBGAAIL-GFCCVEGCSA-N 0 0 317.397 0.632 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000374577941 279189801 /nfs/dbraw/zinc/18/98/01/279189801.db2.gz UACVTGWIELDMLU-LBPRGKRZSA-N 0 0 306.366 0.633 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccn(-c2ccccc2)n1 ZINC000032977423 279909819 /nfs/dbraw/zinc/90/98/19/279909819.db2.gz XLZZMOXCIAUJCJ-LLVKDONJSA-N 0 0 305.359 0.789 50 0 DCAARN CCS(=O)(=O)N1CCc2c(nc(N(C)C)nc2N(C)C)C1 ZINC000072148516 280016253 /nfs/dbraw/zinc/01/62/53/280016253.db2.gz SPLMXZACKKFVRJ-UHFFFAOYSA-N 0 0 313.427 0.316 50 0 DCAARN CN1CC[NH+](C[C@@H](CC(=O)Nc2ccccc2)C(=O)[O-])CC1 ZINC000061721213 290044834 /nfs/dbraw/zinc/04/48/34/290044834.db2.gz FYYUIYRCDCNQAA-CYBMUJFWSA-N 0 0 305.378 0.963 50 0 DCAARN COc1cc(OC)c(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)c(C(=O)[O-])c1 ZINC000097813895 295005817 /nfs/dbraw/zinc/00/58/17/295005817.db2.gz QEIYNROBUMOPTM-KBPBESRZSA-N 0 0 324.377 0.509 50 0 DCAARN COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(C)C3)cc1OC ZINC000004854761 295250944 /nfs/dbraw/zinc/25/09/44/295250944.db2.gz LXZIUKBDDPDSDE-CYBMUJFWSA-N 0 0 303.318 0.784 50 0 biogenic DCAARN COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)C ZINC000072158892 295361945 /nfs/dbraw/zinc/36/19/45/295361945.db2.gz JCQUIVWGZURWBT-ZDUSSCGKSA-N 0 0 305.378 0.474 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)c1ccc2c(c1)OCO2 ZINC000031216945 295526310 /nfs/dbraw/zinc/52/63/10/295526310.db2.gz NBHNMMWNHFXLEL-UHFFFAOYSA-N 0 0 300.336 0.084 50 0 DCAARN C[C@@]12CSCC(=O)N1[C@@H](C(=O)N1CCOCC1)CS2 ZINC000071815221 297942407 /nfs/dbraw/zinc/94/24/07/297942407.db2.gz XZVYAIPKCJFSKM-BXKDBHETSA-N 0 0 302.421 0.252 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)NC(C)(C)C(=O)N(C)C ZINC000069772332 302748484 /nfs/dbraw/zinc/74/84/84/302748484.db2.gz OAHMPOHLJDOIBY-UHFFFAOYSA-N 0 0 302.400 0.182 50 0 DCAARN O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cc2c([nH]c1=O)CCCC2 ZINC000096152465 303824713 /nfs/dbraw/zinc/82/47/13/303824713.db2.gz RBWDAEOZSLZYTJ-SNVBAGLBSA-N 0 0 308.359 0.294 50 0 DCAARN CCc1nnc(CNC(=O)c2cnc(N3CCOCC3)nc2)o1 ZINC000534631795 334307539 /nfs/dbraw/zinc/30/75/39/334307539.db2.gz LTOOPDGTFGYHTH-UHFFFAOYSA-N 0 0 318.337 0.189 50 0 DCAARN CCCn1ncnc1[C@H](C)NC(=O)Cn1nc(C)c(C)cc1=O ZINC000534651169 334312095 /nfs/dbraw/zinc/31/20/95/334312095.db2.gz CUQZHMVXDIYNFH-LBPRGKRZSA-N 0 0 318.381 0.739 50 0 DCAARN Cc1nn(C)c(Cl)c1S(=O)(=O)NCCc1ncc[nH]1 ZINC000534651740 334312229 /nfs/dbraw/zinc/31/22/29/334312229.db2.gz ZWRSFZRGBZPKEP-UHFFFAOYSA-N 0 0 303.775 0.626 50 0 DCAARN CC[C@H](NC(=O)c1ccc2nnnn2c1)c1ncnn1CC ZINC000534660367 334315819 /nfs/dbraw/zinc/31/58/19/334315819.db2.gz LZYIOTMDRGSNJY-JTQLQIEISA-N 0 0 300.326 0.617 50 0 DCAARN Cc1nc(C)c(C)c(N[C@H]2COC[C@@H]2N2CCN(C)CC2)n1 ZINC000534664641 334318259 /nfs/dbraw/zinc/31/82/59/334318259.db2.gz CTXBDIBIOJPEHZ-GJZGRUSLSA-N 0 0 305.426 0.829 50 0 DCAARN CCN1C[C@H](NS(=O)(=O)c2ccccc2F)[C@@H](OC)C1 ZINC000534672386 334320991 /nfs/dbraw/zinc/32/09/91/334320991.db2.gz XUBSHIKKDLDYRT-RYUDHWBXSA-N 0 0 302.371 0.823 50 0 DCAARN CN(C)C(=O)CCCNC(=O)NC[C@@H](O)c1cccc(O)c1 ZINC000534676297 334323409 /nfs/dbraw/zinc/32/34/09/334323409.db2.gz RUPZIYIKHILPDO-CYBMUJFWSA-N 0 0 309.366 0.593 50 0 DCAARN C[C@H](C(=O)Nc1cc(-c2nccn2C)nn1C)S(C)(=O)=O ZINC000332409017 534296357 /nfs/dbraw/zinc/29/63/57/534296357.db2.gz ZFGVYJFQISKNAC-MRVPVSSYSA-N 0 0 311.367 0.192 50 0 DCAARN CN1CC[C@H](NC(=O)N2CCN(c3ccccn3)CC2)C1=O ZINC000130027778 523984594 /nfs/dbraw/zinc/98/45/94/523984594.db2.gz SADRBYKPFUTPNT-LBPRGKRZSA-N 0 0 303.366 0.144 50 0 DCAARN Cc1cc(NCC(=O)N2CCNC2=O)ccc1C(=O)N(C)C ZINC000157264995 525265371 /nfs/dbraw/zinc/26/53/71/525265371.db2.gz WKKBWDOMHUWFCV-UHFFFAOYSA-N 0 0 304.350 0.661 50 0 DCAARN NC(=O)[C@H]1CC[C@H](CNC(=O)N2CC=C(C(F)(F)F)CC2)O1 ZINC000270522694 527011535 /nfs/dbraw/zinc/01/15/35/527011535.db2.gz UCSJEXULLDMGNX-NXEZZACHSA-N 0 0 321.299 0.923 50 0 DCAARN NC(=O)c1cccnc1N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000267199356 527094001 /nfs/dbraw/zinc/09/40/01/527094001.db2.gz IZVJHKMURBECFP-UHFFFAOYSA-N 0 0 324.348 0.173 50 0 DCAARN CCCS(=O)(=O)CC(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000331367113 528795902 /nfs/dbraw/zinc/79/59/02/528795902.db2.gz DOSNFHDSDQJTMU-LLVKDONJSA-N 0 0 303.380 0.018 50 0 DCAARN CN(C)S(=O)(=O)CCNC(=O)c1n[nH]c2c1CCCCC2 ZINC000291561341 536086390 /nfs/dbraw/zinc/08/63/90/536086390.db2.gz NZFTVUNACQMCMG-UHFFFAOYSA-N 0 0 314.411 0.300 50 0 DCAARN COCCNC(=O)C1CCN(c2ccc3nnc(C)n3n2)CC1 ZINC000020733072 536886515 /nfs/dbraw/zinc/88/65/15/536886515.db2.gz CSHRUIUFFPSTJD-UHFFFAOYSA-N 0 0 318.381 0.412 50 0 DCAARN COCCNC(=O)Cn1cnc2nc3c(cc2c1=O)CCCC3 ZINC000009587570 545641883 /nfs/dbraw/zinc/64/18/83/545641883.db2.gz KHWPNPFPQFTMSX-UHFFFAOYSA-N 0 0 316.361 0.433 50 0 DCAARN COC[C@@H](C)n1ccc(NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC000189793633 545921867 /nfs/dbraw/zinc/92/18/67/545921867.db2.gz BBZLYDKZEZIBPA-GHMZBOCLSA-N 0 0 321.381 0.975 50 0 DCAARN Cc1c[nH]c(C(=O)N2CCCO[C@H](CN3CCOCC3)C2)n1 ZINC000215824159 545937932 /nfs/dbraw/zinc/93/79/32/545937932.db2.gz ZKHOJJDPDSBBMR-CYBMUJFWSA-N 0 0 308.382 0.281 50 0 DCAARN Cc1ncc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)c(=O)[nH]1 ZINC000215800069 545937994 /nfs/dbraw/zinc/93/79/94/545937994.db2.gz RLBAYKNFJKZLEQ-NSHDSACASA-N 0 0 307.350 0.536 50 0 DCAARN CCN1Cc2ccccc2C[C@@H]1C(=O)NCc1nc(N)n[nH]1 ZINC000222672265 545941158 /nfs/dbraw/zinc/94/11/58/545941158.db2.gz QLNOYJHBLOMBNT-GFCCVEGCSA-N 0 0 300.366 0.450 50 0 DCAARN Cc1cccc(O[C@H]2CCN(C(=O)CN3CCOC3=O)C2)n1 ZINC000238849156 545960303 /nfs/dbraw/zinc/96/03/03/545960303.db2.gz JBAGVYIZQIZGGA-LBPRGKRZSA-N 0 0 305.334 0.822 50 0 DCAARN CCN1CCOC[C@H]1C(=O)N1CCN(c2nccnc2C)CC1 ZINC000333131562 546072828 /nfs/dbraw/zinc/07/28/28/546072828.db2.gz WWFQSIIVOJCWID-AWEZNQCLSA-N 0 0 319.409 0.154 50 0 DCAARN O=C(c1cc(=O)nc2sccn21)N1CCN2C(=O)OC[C@@H]2C1 ZINC000670437430 547090416 /nfs/dbraw/zinc/09/04/16/547090416.db2.gz RXWPGUAOYQIOII-QMMMGPOBSA-N 0 0 320.330 0.033 50 0 DCAARN Cc1nc2c(c(=O)[nH]1)CN(C(=O)NC[C@H](C)N1CCOCC1)C2 ZINC000670448968 547094686 /nfs/dbraw/zinc/09/46/86/547094686.db2.gz NYLPTFHWPQQJFN-JTQLQIEISA-N 0 0 321.381 0.237 50 0 DCAARN CCOC1CCN(S(=O)(=O)N2CCC[C@H]2COC)CC1 ZINC000670449761 547096523 /nfs/dbraw/zinc/09/65/23/547096523.db2.gz OHMBVZCMWKMKME-LBPRGKRZSA-N 0 0 306.428 0.843 50 0 DCAARN NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1nc2ccccc2[nH]c1=O ZINC000670458321 547098019 /nfs/dbraw/zinc/09/80/19/547098019.db2.gz DANHGWKNFPVOOP-NXEZZACHSA-N 0 0 312.329 0.885 50 0 DCAARN C[C@@H](CN(C)c1cncc(C(=O)N(C)C)n1)N1CCOCC1 ZINC000670472051 547101209 /nfs/dbraw/zinc/10/12/09/547101209.db2.gz XFGTXAGNIGXEHE-LBPRGKRZSA-N 0 0 307.398 0.335 50 0 DCAARN O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1ncc2ccccn21 ZINC000685942451 548747699 /nfs/dbraw/zinc/74/76/99/548747699.db2.gz NMIOBWCLWIKYPD-QWHCGFSZSA-N 0 0 313.317 0.634 50 0 DCAARN CCc1ccc(C(=O)N2CC(N3C[C@@H](C(=O)NC)CC3=O)C2)o1 ZINC000685943342 548748286 /nfs/dbraw/zinc/74/82/86/548748286.db2.gz ZMERBIKYTUTMQU-JTQLQIEISA-N 0 0 319.361 0.261 50 0 DCAARN Cc1ncc2c(n1)CN(C[C@@H](O)COC[C@H]1CCCO1)CC2 ZINC000257365280 563594458 /nfs/dbraw/zinc/59/44/58/563594458.db2.gz AJZVUEOBQRNEEN-HUUCEWRRSA-N 0 0 307.394 0.700 50 0 DCAARN C[C@@H](NC(=O)[C@H]1CCCC(=O)N1)c1ccc(-c2nn[nH]n2)cc1 ZINC000888093776 661157757 /nfs/dbraw/zinc/15/77/57/661157757.db2.gz QDUUXUUMYIHKRN-BXKDBHETSA-N 0 0 314.349 0.713 50 0 DCAARN COC[C@@H]1CN(C(=O)NCCN=S(C)(C)=O)C[C@@H](C)O1 ZINC000888097046 661175886 /nfs/dbraw/zinc/17/58/86/661175886.db2.gz ZLLQEKDOMMUROM-MNOVXSKESA-N 0 0 307.416 0.159 50 0 DCAARN NC(=O)C12CC(C1)CN2C(=O)c1ccc(Cn2ccnn2)cc1 ZINC000888100474 661179026 /nfs/dbraw/zinc/17/90/26/661179026.db2.gz QQCUJEBGJXPUDA-UHFFFAOYSA-N 0 0 311.345 0.416 50 0 DCAARN COCCn1cnnc1[C@H](C)NCc1cnc(N(C)C)nc1 ZINC000952973617 665835548 /nfs/dbraw/zinc/83/55/48/665835548.db2.gz DDEGDUFRGOTQAO-NSHDSACASA-N 0 0 305.386 0.631 50 0 DCAARN Cc1n[nH]cc1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000171566398 664610350 /nfs/dbraw/zinc/61/03/50/664610350.db2.gz YAJFJOUBFDFXND-UHFFFAOYSA-N 0 0 302.382 0.800 50 0 DCAARN Cc1cc(C(=O)NCC2(OCCO)CCSCC2)no1 ZINC000828765422 668140159 /nfs/dbraw/zinc/14/01/59/668140159.db2.gz OAMNOVRNHFOMAR-UHFFFAOYSA-N 0 0 300.380 0.988 50 0 DCAARN Cc1nc(CN2CCC[C@@H](CNC(=O)c3ccnn3C)C2)no1 ZINC000952973655 685600406 /nfs/dbraw/zinc/60/04/06/685600406.db2.gz RHXGKWHRGRCFGQ-LBPRGKRZSA-N 0 0 318.381 0.754 50 0 DCAARN CS(=O)(=O)CCN1CCC(CNC(=O)C2CCC2)CC1 ZINC000952990886 685603020 /nfs/dbraw/zinc/60/30/20/685603020.db2.gz MRNUSMQDWKUXQP-UHFFFAOYSA-N 0 0 302.440 0.659 50 0 DCAARN O[C@H](COc1cccc(CN2CCCO2)c1)CN1CCOCC1 ZINC000020998287 685052561 /nfs/dbraw/zinc/05/25/61/685052561.db2.gz YNMBOKLANURCKO-INIZCTEOSA-N 0 0 322.405 0.896 50 0 DCAARN Cc1cnn(CCCn2ncc(N3CCOCC3)cc2=O)c1 ZINC000072149748 685073695 /nfs/dbraw/zinc/07/36/95/685073695.db2.gz ODZVXQPLZJKSHE-UHFFFAOYSA-N 0 0 303.366 0.675 50 0 DCAARN O=C([O-])[C@H]1CN(C(=O)c2[nH]cnc2-c2ccccc2)CC[NH2+]1 ZINC000071523846 685074123 /nfs/dbraw/zinc/07/41/23/685074123.db2.gz ZKVQZCICOPTLIB-LLVKDONJSA-N 0 0 300.318 0.575 50 0 DCAARN CCc1nnc(N2CC[C@@]3(C2)CCCN(CCO)C3=O)s1 ZINC000091915350 685106891 /nfs/dbraw/zinc/10/68/91/685106891.db2.gz ABQAEPHGWPOZGM-CQSZACIVSA-N 0 0 310.423 0.912 50 0 DCAARN C[C@H](OC(=O)/C=C\c1ccccc1[N+](=O)[O-])C(=O)NC(N)=O ZINC000096464287 685111435 /nfs/dbraw/zinc/11/14/35/685111435.db2.gz ZYBUIMFHFFAZIK-UAPHAKCISA-N 0 0 307.262 0.735 50 0 DCAARN Cn1ccsc1=NC(=O)Cn1nnn(-c2cccs2)c1=O ZINC000254483906 685188169 /nfs/dbraw/zinc/18/81/69/685188169.db2.gz VEOCZXCQLBBWOE-UHFFFAOYSA-N 0 0 322.375 0.018 50 0 DCAARN Cc1cc(C)n([C@H](C)CNC(=O)c2cnc(C(N)=O)cn2)n1 ZINC001772704901 1157843079 /nfs/dbraw/zinc/84/30/79/1157843079.db2.gz QQQNBUNBNJHVFK-SNVBAGLBSA-N 0 0 302.338 0.380 50 0 DCAARN Cc1cc(N)n(CC(=O)N2C[C@@H](Cc3ccncc3)[C@H](O)C2)n1 ZINC001704297796 1179965323 /nfs/dbraw/zinc/96/53/23/1179965323.db2.gz XEUSFTGLOVVKHZ-ZIAGYGMSSA-N 0 0 315.377 0.231 50 0 DCAARN O=C([O-])C[N@@H+]1C[C@H]2COC[C@@H]1CN(c1ccc(Cl)cn1)C2 ZINC001704304994 1179967336 /nfs/dbraw/zinc/96/73/36/1179967336.db2.gz TXKVDBDWMFSVBZ-PWSUYJOCSA-N 0 0 311.769 0.957 50 0 DCAARN Cn1ccc(NC(=O)CN2C[C@@H](Cc3ccccn3)[C@H](O)C2)n1 ZINC001704311590 1179969834 /nfs/dbraw/zinc/96/98/34/1179969834.db2.gz CZDVSEDBFGAWLN-TZMCWYRMSA-N 0 0 315.377 0.289 50 0 DCAARN O=C(c1cncc(N2CCN3C(=O)OC[C@@H]3C2)n1)N1CCCC1 ZINC001704314183 1179970610 /nfs/dbraw/zinc/97/06/10/1179970610.db2.gz RHVNJHNWRYRAHU-NSHDSACASA-N 0 0 317.349 0.353 50 0 DCAARN O=C([O-])C[N@@H+]1C[C@H]2COC[C@@H]1CN(c1ncc(Cl)cn1)C2 ZINC001704336433 1179977150 /nfs/dbraw/zinc/97/71/50/1179977150.db2.gz IFAFLANYANERSR-KOLCDFICSA-N 0 0 312.757 0.352 50 0 DCAARN COc1cnc(N2CC[C@@]3(C(=O)[O-])CCC[N@H+](C)[C@@H]3C2)nc1 ZINC001704335640 1179977357 /nfs/dbraw/zinc/97/73/57/1179977357.db2.gz CSCLSSJYZQJDTG-DOMZBBRYSA-N 0 0 306.366 0.861 50 0 DCAARN Cc1cc(N)n(CC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)n1 ZINC001704352630 1179983645 /nfs/dbraw/zinc/98/36/45/1179983645.db2.gz FRHKHXVEDGPXEV-ZIAGYGMSSA-N 0 0 315.377 0.543 50 0 DCAARN CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1Nc1ncc(Cl)cn1 ZINC001704356187 1179984040 /nfs/dbraw/zinc/98/40/40/1179984040.db2.gz WTTWBIVQIVULFD-WCBMZHEXSA-N 0 0 320.802 0.448 50 0 DCAARN Cn1cncc1C(=O)N1Cc2c(C(=O)NC3CC3)nn(C)c2C1 ZINC000675008880 748024749 /nfs/dbraw/zinc/02/47/49/748024749.db2.gz NYWXUENMIHCNFA-UHFFFAOYSA-N 0 0 314.349 0.202 50 0 DCAARN Cn1ccc(C(=O)NCC(=O)NCCCc2cccs2)n1 ZINC000675028172 748029967 /nfs/dbraw/zinc/02/99/67/748029967.db2.gz LNCFZROLJMUFAF-UHFFFAOYSA-N 0 0 306.391 0.960 50 0 DCAARN CCCn1cc(S(C)(=O)=O)c(=O)n(-c2ccccc2)c1=O ZINC000823026291 758219181 /nfs/dbraw/zinc/21/91/81/758219181.db2.gz ISQQYVIMQKIALN-UHFFFAOYSA-N 0 0 308.359 0.813 50 0 DCAARN COCCN(C)CC(=O)NCc1csc(-c2cnccn2)n1 ZINC000823698602 758261824 /nfs/dbraw/zinc/26/18/24/758261824.db2.gz LNNYSOPCIHOQLQ-UHFFFAOYSA-N 0 0 321.406 0.795 50 0 DCAARN COC[C@H]1CCCN1S(=O)(=O)NCCn1cnc(C)c1C ZINC000824370956 758770237 /nfs/dbraw/zinc/77/02/37/758770237.db2.gz GEODVAHXTPWIPD-CYBMUJFWSA-N 0 0 316.427 0.445 50 0 DCAARN COC[C@H]1CCCN1S(=O)(=O)N1CCN(CC2CC2)CC1 ZINC000824371023 758772109 /nfs/dbraw/zinc/77/21/09/758772109.db2.gz NGPQSIJUXYTLAY-CQSZACIVSA-N 0 0 317.455 0.370 50 0 DCAARN COCCc1noc([C@@H](C)NS(=O)(=O)N2CCCC2)n1 ZINC000824462315 758775511 /nfs/dbraw/zinc/77/55/11/758775511.db2.gz GMNRTQKGQOLSRG-SECBINFHSA-N 0 0 304.372 0.250 50 0 DCAARN COc1cc(-n2cnnn2)ccc1NC(=O)CCCNC(C)=O ZINC000824596507 758778918 /nfs/dbraw/zinc/77/89/18/758778918.db2.gz YMLNLFKOMYAECN-UHFFFAOYSA-N 0 0 318.337 0.526 50 0 DCAARN Cc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)C(N)=O)CC2)cc1 ZINC000824966122 758793446 /nfs/dbraw/zinc/79/34/46/758793446.db2.gz XFUWPINEKQOWAV-LBPRGKRZSA-N 0 0 317.389 0.837 50 0 DCAARN Cc1cc(C)n2c(nnc2C(=O)NCCSc2c[nH]nn2)n1 ZINC000825130640 758796975 /nfs/dbraw/zinc/79/69/75/758796975.db2.gz HVGUDFDJEPXUSL-UHFFFAOYSA-N 0 0 318.366 0.381 50 0 DCAARN Cc1nc(CN2C(=O)NC(C)(C)C2=O)n(-c2cccnc2)n1 ZINC000825273280 758802291 /nfs/dbraw/zinc/80/22/91/758802291.db2.gz TXVOPMGLMRVQIS-UHFFFAOYSA-N 0 0 300.322 0.801 50 0 DCAARN CS(=O)(=O)NCCc1nc(-c2ccc(F)c(F)c2)n[nH]1 ZINC000826601667 758831820 /nfs/dbraw/zinc/83/18/20/758831820.db2.gz JNKWWYQTCBZMIM-UHFFFAOYSA-N 0 0 302.306 0.842 50 0 DCAARN O=C(CCCn1cnnn1)N1CCN(Cc2ccccn2)CC1 ZINC000827948364 758900237 /nfs/dbraw/zinc/90/02/37/758900237.db2.gz FULOPSKBOJTLNV-UHFFFAOYSA-N 0 0 315.381 0.193 50 0 DCAARN O=C(c1ccco1)N1CCC[C@H](NS(=O)(=O)c2cn[nH]c2)C1 ZINC000828188989 758943240 /nfs/dbraw/zinc/94/32/40/758943240.db2.gz RHXCQHCLIFCOOE-JTQLQIEISA-N 0 0 324.362 0.586 50 0 DCAARN O=C1C[C@H](CNS(=O)(=O)c2cn[nH]c2)CN1c1ccccc1 ZINC000828244743 758963926 /nfs/dbraw/zinc/96/39/26/758963926.db2.gz PXRRWKCZWHJCBH-LLVKDONJSA-N 0 0 320.374 0.741 50 0 DCAARN O=c1[n-]c(C[NH2+][C@H]2CCC(=O)N(Cc3ccccc3)C2)n[nH]1 ZINC000828256446 758965152 /nfs/dbraw/zinc/96/51/52/758965152.db2.gz HQCJHKNRZVKPKC-LBPRGKRZSA-N 0 0 301.350 0.791 50 0 DCAARN O=C(C[C@H]1CCN(C(=O)c2cccnc2)C1)N1CCOCC1 ZINC000581783116 760249624 /nfs/dbraw/zinc/24/96/24/760249624.db2.gz OAUOWNLFTKZNDU-CYBMUJFWSA-N 0 0 303.362 0.793 50 0 DCAARN COCCN(C)C(=O)c1cn(C2CN(C(=O)C3CCC3)C2)nn1 ZINC000581811620 760253801 /nfs/dbraw/zinc/25/38/01/760253801.db2.gz YQQPGSWTGIFPPP-UHFFFAOYSA-N 0 0 321.381 0.180 50 0 DCAARN CC(C)=CC(=O)NCCN(CCOCCO)C(=O)C=C(C)C ZINC000585087709 766275563 /nfs/dbraw/zinc/27/55/63/766275563.db2.gz KCYLKGPENYKWTE-UHFFFAOYSA-N 0 0 312.410 0.873 50 0 DCAARN CNC(=O)[C@@H]1CCC[C@H]1Nc1ccc(-n2ccnc2C)nn1 ZINC000585092710 766278137 /nfs/dbraw/zinc/27/81/37/766278137.db2.gz JTLXTHWPFUBSOX-VXGBXAGGSA-N 0 0 300.366 1.297 50 0 DCAARN CCN(Cc1ccccn1)c1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000585092816 766278183 /nfs/dbraw/zinc/27/81/83/766278183.db2.gz PALKAXCGOFYCQS-UHFFFAOYSA-N 0 0 314.349 0.382 50 0 DCAARN CS(=O)(=O)N[C@H]1COc2ccc(Br)cc2C1=O ZINC000585114569 766285052 /nfs/dbraw/zinc/28/50/52/766285052.db2.gz JWLPSBFVVNBFOU-QMMMGPOBSA-N 0 0 320.164 0.942 50 0 DCAARN CC(C)(C)OC(=O)[C@@H]1CC(=O)N(OCC2(CO)COC2)C1 ZINC000585123121 766287689 /nfs/dbraw/zinc/28/76/89/766287689.db2.gz WIQGKMMAEWAMDE-SNVBAGLBSA-N 0 0 301.339 0.117 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccns2)C1 ZINC000585124022 766288227 /nfs/dbraw/zinc/28/82/27/766288227.db2.gz GIOZOYNHXXBNKE-JTQLQIEISA-N 0 0 317.436 0.821 50 0 DCAARN CCOC(=O)[C@@H](C[C@H](OC)C1CC1)NC(=O)c1ccn(C)n1 ZINC000585127106 766289837 /nfs/dbraw/zinc/28/98/37/766289837.db2.gz QCQHWJPETLSWRB-OLZOCXBDSA-N 0 0 309.366 0.897 50 0 DCAARN CO[C@@H](C)CS(=O)(=O)Nc1ccnc(S(C)(=O)=O)c1 ZINC000585128724 766290423 /nfs/dbraw/zinc/29/04/23/766290423.db2.gz LTZFXCDICBOGTH-QMMMGPOBSA-N 0 0 308.381 0.262 50 0 DCAARN Cc1nc(CNC(=O)c2nc(N)nc3c2CCCC3)cc(=O)[nH]1 ZINC000952869489 768926180 /nfs/dbraw/zinc/92/61/80/768926180.db2.gz LYFPTRSYSLGGKQ-UHFFFAOYSA-N 0 0 314.349 0.672 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)CC1=O ZINC000952877854 768942012 /nfs/dbraw/zinc/94/20/12/768942012.db2.gz WIDIEYRQVGDFCN-XDQVBPFNSA-N 0 0 312.410 0.272 50 0 DCAARN COC(=O)C1(NC(=O)[C@H]2CCC(=O)S2)CCSCC1 ZINC000952884389 768953071 /nfs/dbraw/zinc/95/30/71/768953071.db2.gz AKGNHAXYSKQQNY-MRVPVSSYSA-N 0 0 303.405 0.964 50 0 DCAARN Nc1nc(NC[C@@H]2CC(=O)N(C3CCCC3)C2)cc2nncn21 ZINC001529152237 1014506668 /nfs/dbraw/zinc/50/66/68/1014506668.db2.gz QLPQUODLICZNFP-JTQLQIEISA-N 0 0 315.381 0.910 50 0 DCAARN CO[C@@H](C)c1nnc(NC(=O)CCNS(C)(=O)=O)s1 ZINC001529169018 1014511645 /nfs/dbraw/zinc/51/16/45/1014511645.db2.gz QEOJUFYKHTUMSO-LURJTMIESA-N 0 0 308.385 0.123 50 0 DCAARN Cc1cc(C(=O)N2C[C@H](O)[C@H](Cc3ccncc3)C2)nn1C ZINC001529180563 1014512987 /nfs/dbraw/zinc/51/29/87/1014512987.db2.gz KFMNQEWQYCVNJI-HIFRSBDPSA-N 0 0 300.362 0.799 50 0 DCAARN COCCn1ccnc1CN1C[C@@H](Cc2ccncc2)[C@H](O)C1 ZINC001529192599 1014518032 /nfs/dbraw/zinc/51/80/32/1014518032.db2.gz YJNWWFAFRHEGRE-HZPDHXFCSA-N 0 0 316.405 0.960 50 0 DCAARN CCc1noc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c1C ZINC001506398760 1017253539 /nfs/dbraw/zinc/25/35/39/1017253539.db2.gz FIAQKKUCGYBION-JTQLQIEISA-N 0 0 315.395 0.603 50 0 DCAARN CSCc1noc(CNS(=O)(=O)N2CCCCC2)n1 ZINC001506401980 1017255177 /nfs/dbraw/zinc/25/51/77/1017255177.db2.gz LCAHKUVTHMJYKT-UHFFFAOYSA-N 0 0 306.413 0.753 50 0 DCAARN CCN(Cc1nc(C(C)C)no1)C(=O)CCCS(N)(=O)=O ZINC001506406856 1017257379 /nfs/dbraw/zinc/25/73/79/1017257379.db2.gz GUFLZEHJGSKLKM-UHFFFAOYSA-N 0 0 318.399 0.610 50 0 DCAARN COC(=O)CCNC(=O)Cn1nc2c(cc1=O)CCCCC2 ZINC000095473297 185372934 /nfs/dbraw/zinc/37/29/34/185372934.db2.gz DEWKQXULPBGYAW-UHFFFAOYSA-N 0 0 307.350 0.192 50 0 DCAARN COCCNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095473104 185373000 /nfs/dbraw/zinc/37/30/00/185373000.db2.gz OMPBEIAQNOMURW-JTQLQIEISA-N 0 0 302.334 0.678 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)Cc2ccc3c(c2)OCC3)CC1 ZINC000095475409 185373085 /nfs/dbraw/zinc/37/30/85/185373085.db2.gz OBKVOPHGQRCLGE-UHFFFAOYSA-N 0 0 324.402 0.268 50 0 DCAARN CCN1CCN(C(=O)c2ccccc2-n2nnnc2C)CC1 ZINC000095480590 185373501 /nfs/dbraw/zinc/37/35/01/185373501.db2.gz PGWKFLKRATWGSY-UHFFFAOYSA-N 0 0 300.366 0.748 50 0 DCAARN COc1cccc2c1OC[C@@H](CNC(=O)CCn1cnnn1)C2 ZINC000095508305 185375981 /nfs/dbraw/zinc/37/59/81/185375981.db2.gz CEWBJCQILSUBJD-LLVKDONJSA-N 0 0 317.349 0.439 50 0 DCAARN CCn1ncnc1[C@@H](C)NC(=O)C1CCN(C(=O)COC)CC1 ZINC000095511752 185376153 /nfs/dbraw/zinc/37/61/53/185376153.db2.gz OUEKNSIKFCXVQG-LLVKDONJSA-N 0 0 323.397 0.360 50 0 DCAARN CC(C)[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1NC(=O)N(C)C ZINC000095516484 185376424 /nfs/dbraw/zinc/37/64/24/185376424.db2.gz SHFLKJMYHKAYGC-WCQYABFASA-N 0 0 305.382 0.844 50 0 DCAARN COCc1nc(CN2CC(=O)N(C)c3ccccc3C2=O)no1 ZINC000095517580 185376663 /nfs/dbraw/zinc/37/66/63/185376663.db2.gz DZRYOFOWCNWYGF-UHFFFAOYSA-N 0 0 316.317 0.835 50 0 DCAARN CCOCCC(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000076875161 185048524 /nfs/dbraw/zinc/04/85/24/185048524.db2.gz AWZIONBUSGDFRG-UHFFFAOYSA-N 0 0 306.366 0.256 50 0 DCAARN CNC(=O)c1ccc(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)cn1 ZINC000264244650 290626274 /nfs/dbraw/zinc/62/62/74/290626274.db2.gz KDUKZJYLHLBEHL-NEPJUHHUSA-N 0 0 320.393 0.280 50 0 DCAARN Cc1ccccc1CCNC(=O)CN1CCN(CCO)CC1 ZINC000096794833 185388413 /nfs/dbraw/zinc/38/84/13/185388413.db2.gz VCUTVLVMUJESQK-UHFFFAOYSA-N 0 0 305.422 0.264 50 0 DCAARN O=C(CNCC(F)(F)F)N1CCC[C@H]1CN1CCOCC1 ZINC000078933379 185131567 /nfs/dbraw/zinc/13/15/67/185131567.db2.gz FTEFHGFPQRDFNZ-NSHDSACASA-N 0 0 309.332 0.462 50 0 DCAARN CCOC(=O)N(C)CCOC(=O)C1CCN(C(C)=O)CC1 ZINC000078985852 185140444 /nfs/dbraw/zinc/14/04/44/185140444.db2.gz RXMLVLLNLJDXQI-UHFFFAOYSA-N 0 0 300.355 0.876 50 0 DCAARN CSC[C@H](C)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000079094060 185157491 /nfs/dbraw/zinc/15/74/91/185157491.db2.gz LLWQHYUCNDSJHH-AXFHLTTASA-N 0 0 308.469 0.820 50 0 DCAARN O=C(Cn1ccc2c(nnc3ccnn32)c1=O)Nc1ccncc1 ZINC000079474149 185172968 /nfs/dbraw/zinc/17/29/68/185172968.db2.gz WUFQFFLIAFCRTL-UHFFFAOYSA-N 0 0 321.300 0.473 50 0 DCAARN CN(C)[C@@H](CNC(=O)[C@H]1CCC(=O)N1)c1c(F)cccc1F ZINC000079363157 185167113 /nfs/dbraw/zinc/16/71/13/185167113.db2.gz OTBPEGPDEOGYOF-NEPJUHHUSA-N 0 0 311.332 0.962 50 0 DCAARN CC[C@@]1(C)NC(=O)N(NC(=O)[C@H]2Cc3ccccc3O2)C1=O ZINC000278867142 214457418 /nfs/dbraw/zinc/45/74/18/214457418.db2.gz UYFYOKONNZYHEV-IAQYHMDHSA-N 0 0 303.318 0.742 50 0 DCAARN CC(C)c1cc(C(=O)N2CCN(C(=O)N(C)C)CC2)n(C)n1 ZINC000082097822 192354920 /nfs/dbraw/zinc/35/49/20/192354920.db2.gz LPECWOUMENKIDI-UHFFFAOYSA-N 0 0 307.398 0.983 50 0 DCAARN Cc1c[nH]c(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)n1 ZINC000082097075 192355433 /nfs/dbraw/zinc/35/54/33/192355433.db2.gz FKYKYJWJJRQUHG-UHFFFAOYSA-N 0 0 317.397 0.702 50 0 DCAARN Cn1nc(C(=O)N2CCC[C@H](Oc3cccnn3)C2)ccc1=O ZINC000225451870 201712221 /nfs/dbraw/zinc/71/22/21/201712221.db2.gz BEDGLDKCZKJVNQ-NSHDSACASA-N 0 0 315.333 0.254 50 0 DCAARN COCC(=O)NCc1cc2n(n1)CCCN(Cc1ncc[nH]1)C2 ZINC000082107131 192357071 /nfs/dbraw/zinc/35/70/71/192357071.db2.gz IIDGPEWHJNQODF-UHFFFAOYSA-N 0 0 318.381 0.275 50 0 DCAARN Cc1cc(C)n(CCCC(=O)N2CC[C@]3(CC(=O)NC3=O)C2)n1 ZINC000082138783 192360061 /nfs/dbraw/zinc/36/00/61/192360061.db2.gz KXRKTFFPLRTKCF-INIZCTEOSA-N 0 0 318.377 0.545 50 0 DCAARN CCOCC(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2 ZINC000082137447 192360682 /nfs/dbraw/zinc/36/06/82/192360682.db2.gz BIZUAQQNEINTIP-UHFFFAOYSA-N 0 0 309.370 0.033 50 0 DCAARN O=C(CCn1cc(Cl)cn1)N1CC[C@]2(CC(=O)NC2=O)C1 ZINC000082138864 192360820 /nfs/dbraw/zinc/36/08/20/192360820.db2.gz YPCSAECLXYHGRI-ZDUSSCGKSA-N 0 0 310.741 0.192 50 0 DCAARN CCCCNC(=O)[C@@H](C)N1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000095395089 185352471 /nfs/dbraw/zinc/35/24/71/185352471.db2.gz MLIXPWRFERGRLZ-GFCCVEGCSA-N 0 0 307.398 0.609 50 0 DCAARN CC(C)NC(=O)N1CCN([C@H](C)C(=O)Nc2ncccn2)CC1 ZINC000095396599 185352899 /nfs/dbraw/zinc/35/28/99/185352899.db2.gz CFELIOZQWZKUGZ-GFCCVEGCSA-N 0 0 320.397 0.539 50 0 DCAARN Cn1nccc1CNS(=O)(=O)c1cc(Cl)cnc1N ZINC000095433731 185364169 /nfs/dbraw/zinc/36/41/69/185364169.db2.gz YBGQKVMUOFQEPJ-UHFFFAOYSA-N 0 0 301.759 0.529 50 0 DCAARN O=C(NC[C@H]1COC2(CCCC2)O1)N[C@@H]1CCS(=O)(=O)C1 ZINC000095459418 185370800 /nfs/dbraw/zinc/37/08/00/185370800.db2.gz CDKVLHDEMUPYMR-MNOVXSKESA-N 0 0 318.395 0.158 50 0 DCAARN Cc1ccc(NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c(=O)[nH]1 ZINC000170594663 197782433 /nfs/dbraw/zinc/78/24/33/197782433.db2.gz CMCNABGNMAPQTA-SNVBAGLBSA-N 0 0 315.395 0.998 50 0 DCAARN COc1ccc(CNC(=O)CNC(=O)C[C@@H]2CCCO2)cc1 ZINC000064742515 190704284 /nfs/dbraw/zinc/70/42/84/190704284.db2.gz UDGNRUNGWNZSPO-AWEZNQCLSA-N 0 0 306.362 0.997 50 0 DCAARN COc1cccc2c1OC[C@H](C(=O)N1CCC(O)(CO)CC1)C2 ZINC000067758010 190720585 /nfs/dbraw/zinc/72/05/85/190720585.db2.gz OBMVQGODNOMALU-CYBMUJFWSA-N 0 0 321.373 0.592 50 0 DCAARN Cn1c2nc3n(c2c(=O)[nH]c1=O)CCCN3c1ccccc1O ZINC000004945235 282608746 /nfs/dbraw/zinc/60/87/46/282608746.db2.gz UYOGTRXJLUPTLL-UHFFFAOYSA-N 0 0 313.317 0.671 50 0 DCAARN CNS(=O)(=O)CC(=O)N[C@H](C)Cc1cccc(Cl)c1 ZINC000083599326 192375340 /nfs/dbraw/zinc/37/53/40/192375340.db2.gz QERFKCPAEGYJPL-SECBINFHSA-N 0 0 304.799 0.936 50 0 DCAARN O=C(c1cnn2ccccc12)N1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000071749212 191022174 /nfs/dbraw/zinc/02/21/74/191022174.db2.gz BORDELJEUUZYDR-AGCIHXOGSA-N 0 0 301.346 0.538 50 0 DCAARN O=C(CN1CCO[C@@H](C(F)(F)F)C1)NCc1ccccn1 ZINC000071764563 191028024 /nfs/dbraw/zinc/02/80/24/191028024.db2.gz NPRNORWMSKGIBB-LLVKDONJSA-N 0 0 303.284 0.961 50 0 DCAARN CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(OC)cc(OC)c1 ZINC000072128103 191042783 /nfs/dbraw/zinc/04/27/83/191042783.db2.gz VIBARSQKXFAKRL-CQSZACIVSA-N 0 0 321.377 0.140 50 0 DCAARN CCc1nccn1CCC(=O)N1CCC[C@]2(CNC(=O)O2)C1 ZINC000072135196 191046677 /nfs/dbraw/zinc/04/66/77/191046677.db2.gz XDOMJRNOCASDMO-HNNXBMFYSA-N 0 0 306.366 0.937 50 0 DCAARN Cc1cc(=O)[nH]c(S[C@H](C)C(=O)N2CCn3cncc3C2)n1 ZINC000072144279 191051118 /nfs/dbraw/zinc/05/11/18/191051118.db2.gz MDPAGWMKXYMEBP-SNVBAGLBSA-N 0 0 319.390 0.798 50 0 DCAARN Cn1ncc(N2CCO[C@H](CCNC(=O)C(C)(C)C)C2)cc1=O ZINC000072161892 191062269 /nfs/dbraw/zinc/06/22/69/191062269.db2.gz JXVRDTJFKUVOIZ-CYBMUJFWSA-N 0 0 322.409 0.538 50 0 DCAARN COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(N)=O ZINC000072164752 191065738 /nfs/dbraw/zinc/06/57/38/191065738.db2.gz SVEHCPORPAPECY-BPJJOFIESA-N 0 0 303.362 0.384 50 0 DCAARN CC(C)c1nc2c(cnn2C)c(N[C@@H]2C[C@@H](CO)[N@H+](C)C2)n1 ZINC000072167275 191067266 /nfs/dbraw/zinc/06/72/66/191067266.db2.gz KFCAAZMEHGHESN-MNOVXSKESA-N 0 0 304.398 0.964 50 0 DCAARN Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CCc1csc(N)n1)C2 ZINC000072172942 191069742 /nfs/dbraw/zinc/06/97/42/191069742.db2.gz GQQWNARDFBNWRP-UHFFFAOYSA-N 0 0 319.390 0.635 50 0 DCAARN COCc1cc(=O)[nH]c(N2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000072264963 191090343 /nfs/dbraw/zinc/09/03/43/191090343.db2.gz MZQUFYBDSSTPCW-UHFFFAOYSA-N 0 0 324.381 0.973 50 0 DCAARN NC(=O)COc1ccccc1C(=O)Nc1ccnc2ccnn21 ZINC000072273365 191095962 /nfs/dbraw/zinc/09/59/62/191095962.db2.gz XQKZWUIDTBVHOB-UHFFFAOYSA-N 0 0 311.301 0.846 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[C@H](c2nccs2)C1 ZINC000072273463 191096153 /nfs/dbraw/zinc/09/61/53/191096153.db2.gz ILTQQNPZSCIRSI-UWVGGRQHSA-N 0 0 322.390 0.837 50 0 DCAARN C[C@@H](CNc1cc(N2CCC[C@@H]2CO)ncn1)N1CCOCC1 ZINC000072276094 191098142 /nfs/dbraw/zinc/09/81/42/191098142.db2.gz WIMCNWSAXYBZTD-UONOGXRCSA-N 0 0 321.425 0.570 50 0 DCAARN C[C@@H](NC(=O)c1ccn(C)c(=O)c1)c1nnnn1-c1ccccc1 ZINC000072285713 191104543 /nfs/dbraw/zinc/10/45/43/191104543.db2.gz RGXFHHQDFSKYDO-LLVKDONJSA-N 0 0 324.344 0.852 50 0 DCAARN Cc1nc(C)c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)s1 ZINC000072286857 191106235 /nfs/dbraw/zinc/10/62/35/191106235.db2.gz LDUJUYOXDOTYTC-SECBINFHSA-N 0 0 303.409 0.524 50 0 DCAARN Cn1nccc1C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000183879570 186227217 /nfs/dbraw/zinc/22/72/17/186227217.db2.gz IRTFBUDQUBDVSB-UHFFFAOYSA-N 0 0 320.374 0.995 50 0 DCAARN CN(Cc1cc(-c2ccccc2)no1)C(=O)CNS(C)(=O)=O ZINC000072410115 191154467 /nfs/dbraw/zinc/15/44/67/191154467.db2.gz PECNHWUCLGQSET-UHFFFAOYSA-N 0 0 323.374 0.849 50 0 DCAARN COCCN1C[C@H](C(=O)N2CCC(c3ncc[nH]3)CC2)CC1=O ZINC000072418328 191156424 /nfs/dbraw/zinc/15/64/24/191156424.db2.gz CGJURKDDIPSBBX-CYBMUJFWSA-N 0 0 320.393 0.611 50 0 DCAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1NCCc2nc[nH]c21 ZINC000072424101 191159593 /nfs/dbraw/zinc/15/95/93/191159593.db2.gz CXLYEILGRDCFSM-CQSZACIVSA-N 0 0 300.318 0.642 50 0 DCAARN O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1NCCc2nc[nH]c21 ZINC000072432006 191163761 /nfs/dbraw/zinc/16/37/61/191163761.db2.gz VPDIOEHNHYZLDM-HNNXBMFYSA-N 0 0 323.360 0.494 50 0 DCAARN CCOC(=O)N1CCOC[C@@H]1CC(=O)N(C)Cc1ccon1 ZINC000072433067 191164793 /nfs/dbraw/zinc/16/47/93/191164793.db2.gz UEMMHVAWOUZYTF-LBPRGKRZSA-N 0 0 311.338 0.880 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000072441499 191168019 /nfs/dbraw/zinc/16/80/19/191168019.db2.gz PYBGGCVMYQAWPF-LBPRGKRZSA-N 0 0 303.428 0.517 50 0 DCAARN NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000331840769 234184424 /nfs/dbraw/zinc/18/44/24/234184424.db2.gz UGJXQPZPGVTRCR-LLVKDONJSA-N 0 0 321.362 0.190 50 0 DCAARN C[C@H](C(=O)N1CCN(Cc2nccn2C)CC1)n1cccn1 ZINC000331845537 234190572 /nfs/dbraw/zinc/19/05/72/234190572.db2.gz NBENFLMCULBBAT-CYBMUJFWSA-N 0 0 302.382 0.522 50 0 DCAARN Cc1ccc(NC(=O)[C@H]2CC(=O)NC(N3CCOCC3)=N2)cc1 ZINC000000537803 180816983 /nfs/dbraw/zinc/81/69/83/180816983.db2.gz ZPRVOQUDUBDQQR-CYBMUJFWSA-N 0 0 316.361 0.510 50 0 DCAARN CNS(=O)(=O)c1ccc(NC(=O)c2cn(C)nc2C)cc1 ZINC000002763864 180953312 /nfs/dbraw/zinc/95/33/12/180953312.db2.gz WALMTMJJCKVYLR-UHFFFAOYSA-N 0 0 308.363 0.889 50 0 DCAARN CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000002868510 180965442 /nfs/dbraw/zinc/96/54/42/180965442.db2.gz WETGAAGHIZGJRO-LBPRGKRZSA-N 0 0 312.391 0.846 50 0 DCAARN NC(=O)Nc1ccc(C(=O)OCC(=O)NC[C@H]2CCCO2)cc1 ZINC000003408966 181016245 /nfs/dbraw/zinc/01/62/45/181016245.db2.gz YDRHQRYRPVVPKR-GFCCVEGCSA-N 0 0 321.333 0.629 50 0 DCAARN Nc1n[nH]c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)n1 ZINC000003513018 181028815 /nfs/dbraw/zinc/02/88/15/181028815.db2.gz GWBVJSLQEZANGZ-UHFFFAOYSA-N 0 0 305.319 0.693 50 0 DCAARN CCOCCCn1c(C)c(C)n2c1nc1c2c(=O)[nH]c(=O)n1C ZINC000004251113 181088628 /nfs/dbraw/zinc/08/86/28/181088628.db2.gz VGPIUDCROGVDIS-UHFFFAOYSA-N 0 0 319.365 0.719 50 0 DCAARN COC(CNS(=O)(=O)c1ccc(NC(C)=O)cc1)OC ZINC000004248101 181087761 /nfs/dbraw/zinc/08/77/61/181087761.db2.gz LBBVUMLIQLWQGE-UHFFFAOYSA-N 0 0 302.352 0.542 50 0 DCAARN Cc1cc(=O)[nH]c2nnc(SCC(=O)NC[C@H]3CCCO3)n21 ZINC000004249934 181088135 /nfs/dbraw/zinc/08/81/35/181088135.db2.gz APZQLNWSHZVEAR-SECBINFHSA-N 0 0 323.378 0.113 50 0 DCAARN CS(=O)(=O)CS(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000004297059 181094504 /nfs/dbraw/zinc/09/45/04/181094504.db2.gz PGJBNMJQJJPNEN-UHFFFAOYSA-N 0 0 307.349 0.202 50 0 DCAARN O=S(=O)(Cc1ccc(Cl)cc1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000004390081 181106465 /nfs/dbraw/zinc/10/64/65/181106465.db2.gz YDAFJEUFNUZORA-GHMZBOCLSA-N 0 0 324.807 0.413 50 0 DCAARN O=C(C[C@H]1CCS(=O)(=O)C1)NCc1ccc2c(c1)OCO2 ZINC000004392215 181106570 /nfs/dbraw/zinc/10/65/70/181106570.db2.gz BHLLLNBHPYSXHW-LLVKDONJSA-N 0 0 311.359 0.856 50 0 DCAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O ZINC000004495764 181115208 /nfs/dbraw/zinc/11/52/08/181115208.db2.gz WRDFHBPWCKPBOG-UHFFFAOYSA-N 0 0 315.738 0.826 50 0 DCAARN Cc1cccn2c(=O)nc(SCC(=O)N3CCOCC3)nc12 ZINC000004503997 181116447 /nfs/dbraw/zinc/11/64/47/181116447.db2.gz WZSDDRFAOVCOPB-UHFFFAOYSA-N 0 0 320.374 0.349 50 0 DCAARN CCCNC(=O)NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000004515242 181118360 /nfs/dbraw/zinc/11/83/60/181118360.db2.gz RTJYWGPGWKYVFQ-BONVTDFDSA-N 0 0 324.381 0.723 50 0 DCAARN Cc1ccc(NC(=O)Cn2cnc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000004619578 181129799 /nfs/dbraw/zinc/12/97/99/181129799.db2.gz ZMDGANRVWJYFDS-UHFFFAOYSA-N 0 0 313.317 0.370 50 0 DCAARN O=C(c1ccccc1)N1CCN(C(=O)N2CCOCC2)CC1 ZINC000004724956 181142836 /nfs/dbraw/zinc/14/28/36/181142836.db2.gz ADCFHMCTXCRKBR-UHFFFAOYSA-N 0 0 303.362 0.897 50 0 DCAARN COc1cc(-n2nnnc2S(C)(=O)=O)c(OC)cc1Cl ZINC000004728034 181143793 /nfs/dbraw/zinc/14/37/93/181143793.db2.gz VPVHEOZXKCLLRY-UHFFFAOYSA-N 0 0 318.742 0.736 50 0 DCAARN COc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2nncs2)n1 ZINC000004999478 181187921 /nfs/dbraw/zinc/18/79/21/181187921.db2.gz LEZGLLSBFUHSAQ-RXMQYKEDSA-N 0 0 313.364 0.749 50 0 DCAARN O=C(Cn1nnc(-c2cccc(Cl)c2)n1)N1CCNC1=O ZINC000005088344 181202426 /nfs/dbraw/zinc/20/24/26/181202426.db2.gz ZZEGDSBZEJKTHE-UHFFFAOYSA-N 0 0 306.713 0.545 50 0 DCAARN Cc1nc(C)n([C@H]2CCCN(C(=O)CCn3ccnn3)C2)n1 ZINC000078806083 191936625 /nfs/dbraw/zinc/93/66/25/191936625.db2.gz CVFNCZYDFDLGQB-ZDUSSCGKSA-N 0 0 303.370 0.740 50 0 DCAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(=O)[nH]n1 ZINC000005251647 181222489 /nfs/dbraw/zinc/22/24/89/181222489.db2.gz MYUNPOFBCCSXPQ-UHFFFAOYSA-N 0 0 302.290 0.989 50 0 DCAARN COc1ccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F ZINC000005263217 181223451 /nfs/dbraw/zinc/22/34/51/181223451.db2.gz IIWAYCUREKHQSW-UHFFFAOYSA-N 0 0 318.308 0.630 50 0 DCAARN COc1cc(-c2ccc(=O)n(CC(N)=O)n2)cc(OC)c1OC ZINC000005409349 181240373 /nfs/dbraw/zinc/24/03/73/181240373.db2.gz MJTCXGMOFJFDTN-UHFFFAOYSA-N 0 0 319.317 0.421 50 0 DCAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(N)=O ZINC000005428186 181242362 /nfs/dbraw/zinc/24/23/62/181242362.db2.gz VKKLRDVNTWOUBS-LURJTMIESA-N 0 0 307.274 0.714 50 0 DCAARN CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)cc1 ZINC000005685866 181271845 /nfs/dbraw/zinc/27/18/45/181271845.db2.gz AIWPVRYWQGFZKJ-CQSZACIVSA-N 0 0 317.345 0.609 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)Sc1nnnn1-c1ccccc1 ZINC000005652124 181268180 /nfs/dbraw/zinc/26/81/80/181268180.db2.gz IXNWUKWYQRLHPI-QMMMGPOBSA-N 0 0 306.351 0.599 50 0 DCAARN COC[C@@H](O)CN(C)C(=O)NCCc1ccc2c(c1)OCO2 ZINC000089340097 192770627 /nfs/dbraw/zinc/77/06/27/192770627.db2.gz HKIMZDPUVHFETG-LBPRGKRZSA-N 0 0 310.350 0.607 50 0 DCAARN O=C(NCc1nnc2n1CCCCC2)N[C@@H]1CCCCNC1=O ZINC000089819332 192878652 /nfs/dbraw/zinc/87/86/52/192878652.db2.gz MJETVQHVIBCSKU-LLVKDONJSA-N 0 0 320.397 0.472 50 0 DCAARN Cc1ccccc1[C@@H](CC(=O)N1CCC[NH2+]CC1)NC(N)=O ZINC000237577408 202289979 /nfs/dbraw/zinc/28/99/79/202289979.db2.gz CXUVKNIHZIYKAT-CQSZACIVSA-N 0 0 304.394 0.916 50 0 DCAARN COCCn1ccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)n1 ZINC000188069836 200189954 /nfs/dbraw/zinc/18/99/54/200189954.db2.gz ZJWVAKURCPXHQB-CYBMUJFWSA-N 0 0 315.377 0.933 50 0 DCAARN O=C1NC[C@H]2CN(Cc3cc(F)ccc3Cl)CCN2C1=O ZINC000189114262 200350984 /nfs/dbraw/zinc/35/09/84/200350984.db2.gz FLIHZRMMWOYLDS-NSHDSACASA-N 0 0 311.744 0.622 50 0 DCAARN COCCNC(=O)CSc1nnc(-c2ccc(C)cc2)n1N ZINC000006057954 181309511 /nfs/dbraw/zinc/30/95/11/181309511.db2.gz WKWMUFAZXYTDBG-UHFFFAOYSA-N 0 0 321.406 0.822 50 0 DCAARN Cn1c(=O)cc(Sc2nnnn2-c2ccccc2)n(C)c1=O ZINC000006219184 181320390 /nfs/dbraw/zinc/32/03/90/181320390.db2.gz JIZZQALAYLUBCM-UHFFFAOYSA-N 0 0 316.346 0.211 50 0 DCAARN CC(C)N1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCC[C@@H]2C)C1=O ZINC000006435898 181340902 /nfs/dbraw/zinc/34/09/02/181340902.db2.gz XYVWXIVTLJBTEE-WDEREUQCSA-N 0 0 309.366 0.881 50 0 DCAARN NC(=O)C1=NO[C@@H](CNC(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC000370105061 239172603 /nfs/dbraw/zinc/17/26/03/239172603.db2.gz ZFWQDZFVACYGLF-TZMCWYRMSA-N 0 0 316.361 0.402 50 0 DCAARN COC(=O)/C=c1/sc2n(c1=O)CN(C1CCCCCC1)CN=2 ZINC000019859444 283708835 /nfs/dbraw/zinc/70/88/35/283708835.db2.gz BYSNKQJWZZYZBH-XYOKQWHBSA-N 0 0 323.418 0.436 50 0 DCAARN O=C(NCCn1cccc1)c1cc(N2CCOCC2)ncn1 ZINC000245020808 202511251 /nfs/dbraw/zinc/51/12/51/202511251.db2.gz MIEDMOPUIHMFHH-UHFFFAOYSA-N 0 0 301.350 0.545 50 0 DCAARN CCCn1c(N)c(C(=O)CN2CCC(C)CC2)c(=O)[nH]c1=O ZINC000006651644 181365377 /nfs/dbraw/zinc/36/53/77/181365377.db2.gz RUUGQALROITPOW-UHFFFAOYSA-N 0 0 308.382 0.443 50 0 DCAARN CCN(CC)C(=O)[C@@H](C)N(C#N)c1nc(OC)nc(N(C)C)n1 ZINC000006690960 181371095 /nfs/dbraw/zinc/37/10/95/181371095.db2.gz FTYBHFLUAWFDAG-SNVBAGLBSA-N 0 0 321.385 0.491 50 0 DCAARN COc1cccc2c1OC[C@@H](C(=O)NCCc1ncnn1C)C2 ZINC000091536566 193070972 /nfs/dbraw/zinc/07/09/72/193070972.db2.gz YOXQSQDKJRRHTL-LBPRGKRZSA-N 0 0 316.361 0.734 50 0 DCAARN CCn1c(Cn2cncn2)nnc1C1CCN(C(C)=O)CC1 ZINC000091595437 193077902 /nfs/dbraw/zinc/07/79/02/193077902.db2.gz HJNMKTZSCQNQPH-UHFFFAOYSA-N 0 0 303.370 0.664 50 0 DCAARN COc1ccc2c(c1)OC[C@@H](CNC(=O)c1c[nH]c(=O)cn1)C2 ZINC000091655914 193085763 /nfs/dbraw/zinc/08/57/63/193085763.db2.gz VRFWRTNYIQTZST-SNVBAGLBSA-N 0 0 315.329 0.760 50 0 DCAARN CCn1cnnc1CN1CC[C@]2(C1)CCCN(CCO)C2=O ZINC000091746305 193101690 /nfs/dbraw/zinc/10/16/90/193101690.db2.gz RUKQBLOHXMEXQT-HNNXBMFYSA-N 0 0 307.398 0.105 50 0 DCAARN Cc1cnc(CNC(=O)Cn2ncc3ccccc3c2=O)cn1 ZINC000091624632 193080538 /nfs/dbraw/zinc/08/05/38/193080538.db2.gz HHOGXHWCOAYCIX-UHFFFAOYSA-N 0 0 309.329 0.811 50 0 DCAARN CCN1C[C@@H](C(=O)NCc2ncc3c(n2)CCC3)CCC1=O ZINC000091755023 193102249 /nfs/dbraw/zinc/10/22/49/193102249.db2.gz BDBFBIWVAGXMJS-LBPRGKRZSA-N 0 0 302.378 0.840 50 0 DCAARN O=C(NCCCn1cnnc1)[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000091780341 193106566 /nfs/dbraw/zinc/10/65/66/193106566.db2.gz DRCLJTCADIMDNH-ZDUSSCGKSA-N 0 0 319.409 0.966 50 0 DCAARN COCC[C@]1(O)CCN(CC(=O)NCc2ccccn2)C[C@H]1C ZINC000091877154 193122302 /nfs/dbraw/zinc/12/23/02/193122302.db2.gz WOJPDKGIXQNUBQ-RHSMWYFYSA-N 0 0 321.421 0.807 50 0 DCAARN CC[C@@H](C(=O)N1Cc2nc(C)n(C)c(=O)c2C1)n1cccn1 ZINC000091987828 193137547 /nfs/dbraw/zinc/13/75/47/193137547.db2.gz HNVGPVWVFCDGLX-ZDUSSCGKSA-N 0 0 301.350 0.779 50 0 DCAARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CCn1cncn1 ZINC000222266624 201606320 /nfs/dbraw/zinc/60/63/20/201606320.db2.gz AZBYCUFNPPZQAC-KGLIPLIRSA-N 0 0 308.382 0.925 50 0 DCAARN Cc1nc(N)ncc1C(=O)NCCn1ncc2ccccc2c1=O ZINC000223647865 201651434 /nfs/dbraw/zinc/65/14/34/201651434.db2.gz ATFQHDBMNSSXSN-UHFFFAOYSA-N 0 0 324.344 0.507 50 0 DCAARN CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC000252527572 202862840 /nfs/dbraw/zinc/86/28/40/202862840.db2.gz CWXMLLABDIMEHA-HAQNSBGRSA-N 0 0 318.381 0.358 50 0 DCAARN COCC[C@H](CO)NC(=O)[C@@H](C)NC(=O)COc1ccccc1 ZINC000253432154 202888716 /nfs/dbraw/zinc/88/87/16/202888716.db2.gz WWNLNYYDQJGZQI-CHWSQXEVSA-N 0 0 324.377 0.084 50 0 DCAARN Cc1nc(N(C)C)ncc1C(=O)N1C[C@H](O)[C@@H](OC(C)C)C1 ZINC000095363823 193432691 /nfs/dbraw/zinc/43/26/91/193432691.db2.gz SALYWTIXLIXKOQ-STQMWFEESA-N 0 0 308.382 0.461 50 0 DCAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)NC3CC3)C2=O)cc1 ZINC000096231996 193594013 /nfs/dbraw/zinc/59/40/13/193594013.db2.gz OSSUGKAATBHQQG-ZDUSSCGKSA-N 0 0 317.345 0.784 50 0 DCAARN COC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000008036265 181521030 /nfs/dbraw/zinc/52/10/30/181521030.db2.gz KUNOSOWHIZPZHQ-SECBINFHSA-N 0 0 314.363 0.228 50 0 DCAARN COCc1nn(Cc2cc(=O)n3cc(Cl)ccc3n2)c(=O)o1 ZINC000096494641 193671268 /nfs/dbraw/zinc/67/12/68/193671268.db2.gz HRSGGTJSYMDDFO-UHFFFAOYSA-N 0 0 322.708 0.692 50 0 DCAARN C[C@H](O)CN1CC2=C(C1=O)[C@H](c1ccccc1F)NC(=O)N2 ZINC000011665678 181698267 /nfs/dbraw/zinc/69/82/67/181698267.db2.gz XSMYZHFBRMLSQG-SDBXPKJASA-N 0 0 305.309 0.657 50 0 DCAARN Cn1nccc1CNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000097163448 193683049 /nfs/dbraw/zinc/68/30/49/193683049.db2.gz OXJLVTUHDVCXKK-UHFFFAOYSA-N 0 0 314.393 0.843 50 0 DCAARN CCOCC(=O)OCC(=O)Nc1ccccc1S(C)(=O)=O ZINC000014242023 181941457 /nfs/dbraw/zinc/94/14/57/181941457.db2.gz JIXBEOUNNLHJGL-UHFFFAOYSA-N 0 0 315.347 0.608 50 0 DCAARN COC(=O)c1ccc(OC(=O)CCN2C(=O)CCC2=O)cc1 ZINC000015580355 182007900 /nfs/dbraw/zinc/00/79/00/182007900.db2.gz GXHNKSUFQXRRFM-UHFFFAOYSA-N 0 0 305.286 0.918 50 0 DCAARN COC(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000016183975 182035660 /nfs/dbraw/zinc/03/56/60/182035660.db2.gz PDPHEFDTSIQYBB-UHFFFAOYSA-N 0 0 315.347 0.332 50 0 DCAARN C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ccco1 ZINC000016381272 182042586 /nfs/dbraw/zinc/04/25/86/182042586.db2.gz WNUVHCAPHDSJSJ-NWDGAFQWSA-N 0 0 314.407 0.745 50 0 DCAARN CC[C@@H]1CCCCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000016445066 182044941 /nfs/dbraw/zinc/04/49/41/182044941.db2.gz QYADZPDVPSSTAV-SNVBAGLBSA-N 0 0 308.382 0.113 50 0 DCAARN COc1cn(C)c(C(=O)Nc2ccccc2C(N)=O)cc1=O ZINC000016848067 182061776 /nfs/dbraw/zinc/06/17/76/182061776.db2.gz VTFCFDXORFDTNC-UHFFFAOYSA-N 0 0 301.302 0.745 50 0 DCAARN COc1ccccc1CNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000016960929 182066225 /nfs/dbraw/zinc/06/62/25/182066225.db2.gz BVBNRKCPMBGLIY-GFCCVEGCSA-N 0 0 312.391 0.735 50 0 DCAARN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2C(=O)c2ccnn2C)O1 ZINC000252508614 291566047 /nfs/dbraw/zinc/56/60/47/291566047.db2.gz XPWQFYDZPXZYHD-RYDUCSDGSA-N 0 0 307.350 0.744 50 0 DCAARN O=C([C@@H]1CCOC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000019227116 182108728 /nfs/dbraw/zinc/10/87/28/182108728.db2.gz WNPWXWYLYMGKKQ-CYBMUJFWSA-N 0 0 324.402 0.556 50 0 DCAARN CC(=O)Oc1ccc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)cc1 ZINC000019300238 182114351 /nfs/dbraw/zinc/11/43/51/182114351.db2.gz LHVFUWTUJSKXEH-CQSZACIVSA-N 0 0 318.329 0.576 50 0 DCAARN CCOc1cccc(N2C(=O)C[C@H](N3CCN(C)CC3)C2=O)c1 ZINC000019519999 182127626 /nfs/dbraw/zinc/12/76/26/182127626.db2.gz NBKGAKMTUDNFLU-HNNXBMFYSA-N 0 0 317.389 0.965 50 0 DCAARN COc1cccc(CN2CCN(S(C)(=O)=O)CC2)c1OC ZINC000019567974 182130145 /nfs/dbraw/zinc/13/01/45/182130145.db2.gz KVCSSMKKJGKNLO-UHFFFAOYSA-N 0 0 314.407 0.781 50 0 DCAARN O=C(NCCN1CCOCC1)C(=O)Nc1ccccc1Cl ZINC000019831570 182154572 /nfs/dbraw/zinc/15/45/72/182154572.db2.gz ACPUEGGBTFEFEZ-UHFFFAOYSA-N 0 0 311.769 0.727 50 0 DCAARN CCCS(=O)(=O)NCCNc1ccc(-n2cccn2)nn1 ZINC000019924332 182165093 /nfs/dbraw/zinc/16/50/93/182165093.db2.gz BFYFOWQTYQCJAF-UHFFFAOYSA-N 0 0 310.383 0.404 50 0 DCAARN Cc1nn(C)c(C(=O)N[C@H](C)CN2CCOCC2)c1Cl ZINC000020028531 182181338 /nfs/dbraw/zinc/18/13/38/182181338.db2.gz DLMDXCCEFUSVLA-SECBINFHSA-N 0 0 300.790 0.832 50 0 DCAARN COCCNC(=O)c1nc(COc2ccc3c(c2)OCO3)no1 ZINC000020716296 182243640 /nfs/dbraw/zinc/24/36/40/182243640.db2.gz LPOUUCVYVOJBEQ-UHFFFAOYSA-N 0 0 321.289 0.754 50 0 DCAARN NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(=O)[nH]c2)cc1 ZINC000021972520 182300819 /nfs/dbraw/zinc/30/08/19/182300819.db2.gz YNJKACDHDHTSRA-UHFFFAOYSA-N 0 0 321.358 0.093 50 0 DCAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cnn(C)c1 ZINC000021972372 182301078 /nfs/dbraw/zinc/30/10/78/182301078.db2.gz HAUASYKXFZLKJU-UHFFFAOYSA-N 0 0 322.390 0.399 50 0 DCAARN NC(=O)C1CCN(C(=O)CN2CCc3sccc3C2)CC1 ZINC000022549780 182326082 /nfs/dbraw/zinc/32/60/82/182326082.db2.gz LAOZCGUMWNTRDI-UHFFFAOYSA-N 0 0 307.419 0.830 50 0 DCAARN NS(=O)(=O)c1ccc(CCC(=O)Nc2nncs2)cc1 ZINC000022704915 182331800 /nfs/dbraw/zinc/33/18/00/182331800.db2.gz DONKOWMFMVREKK-UHFFFAOYSA-N 0 0 312.376 0.757 50 0 DCAARN OCCN1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000022943239 182343492 /nfs/dbraw/zinc/34/34/92/182343492.db2.gz BATOJSKUBZTWDH-UHFFFAOYSA-N 0 0 306.341 0.986 50 0 DCAARN O=c1n2ccccc2nn1CN1CCN(Cc2ccccn2)CC1 ZINC000022924013 182340601 /nfs/dbraw/zinc/34/06/01/182340601.db2.gz RZYZCVBHZJIZDC-UHFFFAOYSA-N 0 0 324.388 0.666 50 0 DCAARN COCCN1CCN(CC(=O)NCCOc2ccccc2)CC1 ZINC000022917067 182340695 /nfs/dbraw/zinc/34/06/95/182340695.db2.gz OCWSEDLPTGGPBV-UHFFFAOYSA-N 0 0 321.421 0.446 50 0 DCAARN CCC(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 ZINC000023232063 182353950 /nfs/dbraw/zinc/35/39/50/182353950.db2.gz FLUMACYYIPFDIL-UHFFFAOYSA-N 0 0 318.356 0.856 50 0 DCAARN Cc1ccc(NC(=O)CN2CCN([C@@H](C)C(N)=O)CC2)cc1 ZINC000023249011 182354385 /nfs/dbraw/zinc/35/43/85/182354385.db2.gz ALACSWXQSMHLEM-ZDUSSCGKSA-N 0 0 304.394 0.425 50 0 DCAARN O=C(CCc1nnc(-c2ccccc2)o1)N1CCNC(=O)C1 ZINC000023420645 182360540 /nfs/dbraw/zinc/36/05/40/182360540.db2.gz MZFKMOLTMRMSFV-UHFFFAOYSA-N 0 0 300.318 0.628 50 0 DCAARN CC[C@]1(C)NC(=O)N(NC(=O)CN(C)Cc2ccccc2)C1=O ZINC000023694764 182367083 /nfs/dbraw/zinc/36/70/83/182367083.db2.gz GFQWZOIUZASQBI-INIZCTEOSA-N 0 0 318.377 0.870 50 0 DCAARN O=C(COc1ccc(F)cc1F)N[C@H]1CCS(=O)(=O)C1 ZINC000024801402 182391561 /nfs/dbraw/zinc/39/15/61/182391561.db2.gz ZLPLNBWCVXOQPP-VIFPVBQESA-N 0 0 305.302 0.647 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000024472613 182381446 /nfs/dbraw/zinc/38/14/46/182381446.db2.gz STWKXGDRMHFMFH-STQMWFEESA-N 0 0 316.361 0.330 50 0 DCAARN COc1cccc(NC(=O)CN(C)C(=O)C2=COCCO2)c1 ZINC000024590455 182384656 /nfs/dbraw/zinc/38/46/56/182384656.db2.gz AHSMHXNUXQITFD-UHFFFAOYSA-N 0 0 306.318 0.980 50 0 DCAARN Cc1ccsc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000025205857 182404661 /nfs/dbraw/zinc/40/46/61/182404661.db2.gz IHNUUOWTFZKICT-UHFFFAOYSA-N 0 0 317.436 0.621 50 0 DCAARN CN(Cc1cnn(C)c1)S(=O)(=O)c1ncn(C)c1Cl ZINC000027957243 182500000 /nfs/dbraw/zinc/50/00/00/182500000.db2.gz DTRWNSRBYMAUBV-UHFFFAOYSA-N 0 0 303.775 0.628 50 0 DCAARN COC(=O)c1ccc(OCC(=O)N2CCC[C@H](C(N)=O)C2)cc1 ZINC000031677922 182620193 /nfs/dbraw/zinc/62/01/93/182620193.db2.gz YQWDEPGSZFWIKX-LBPRGKRZSA-N 0 0 320.345 0.576 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000031218594 182608746 /nfs/dbraw/zinc/60/87/46/182608746.db2.gz FRAWUIYNKHBEKQ-UHFFFAOYSA-N 0 0 322.390 0.746 50 0 DCAARN Cc1cc(C)n2ncc(-c3noc(C(=O)NCCO)n3)c2n1 ZINC000032091786 182633859 /nfs/dbraw/zinc/63/38/59/182633859.db2.gz NKEBNKCTWQYPMY-UHFFFAOYSA-N 0 0 302.294 0.118 50 0 DCAARN COc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000032770964 182661568 /nfs/dbraw/zinc/66/15/68/182661568.db2.gz SBAAQPKBFVZREP-UHFFFAOYSA-N 0 0 312.391 0.849 50 0 DCAARN CN1c2ccccc2[C@@H](NC(=O)C(=O)NCc2ccco2)C1=O ZINC000101458251 193814461 /nfs/dbraw/zinc/81/44/61/193814461.db2.gz CNYZNQSMGGLVOX-CYBMUJFWSA-N 0 0 313.313 0.730 50 0 DCAARN O=C([O-])[C@H]1C[NH2+]CCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000097394410 304198784 /nfs/dbraw/zinc/19/87/84/304198784.db2.gz KIPDSXOIEWVSHZ-NSHDSACASA-N 0 0 306.337 0.990 50 0 DCAARN O=C(NCc1nnc2n1CCC2)c1cc(=O)[nH]c2ccccc21 ZINC000040037538 183029051 /nfs/dbraw/zinc/02/90/51/183029051.db2.gz WSDVNLGJINTNFO-UHFFFAOYSA-N 0 0 309.329 0.996 50 0 DCAARN O=C(c1c2c(sc1-n1cnnn1)CCC2)N1CCOCC1 ZINC000040286853 183051166 /nfs/dbraw/zinc/05/11/66/183051166.db2.gz LEMOSECOCLVPFO-UHFFFAOYSA-N 0 0 305.363 0.685 50 0 DCAARN CC(C)(CNC(=O)C(=O)Nc1cccc(O)c1)N1CCOCC1 ZINC000040288026 183052121 /nfs/dbraw/zinc/05/21/21/183052121.db2.gz QTIULMZJHHSWMV-UHFFFAOYSA-N 0 0 321.377 0.558 50 0 DCAARN O=C(NCCOCCO)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000040287693 183052288 /nfs/dbraw/zinc/05/22/88/183052288.db2.gz PSVUMGHXZBFEQB-UHFFFAOYSA-N 0 0 321.255 0.164 50 0 DCAARN CC(C)=CCN1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000040475930 183074932 /nfs/dbraw/zinc/07/49/32/183074932.db2.gz JEEUIWVDTVFDQI-ZDUSSCGKSA-N 0 0 300.424 0.532 50 0 DCAARN CC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 ZINC000040476670 183074938 /nfs/dbraw/zinc/07/49/38/183074938.db2.gz GJDDXRKTBHFPBX-UHFFFAOYSA-N 0 0 324.402 0.864 50 0 DCAARN COCCCNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000040477499 183075808 /nfs/dbraw/zinc/07/58/08/183075808.db2.gz VHNWXKLOEJFNMJ-UHFFFAOYSA-N 0 0 321.420 0.942 50 0 DCAARN Cc1noc(C)c1CCC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000040480860 183076637 /nfs/dbraw/zinc/07/66/37/183076637.db2.gz SDEWUXFMGDBCAV-UHFFFAOYSA-N 0 0 315.395 0.328 50 0 DCAARN COc1ccc(CN(C)S(=O)(=O)N2CCOCC2)cc1F ZINC000040488231 183078464 /nfs/dbraw/zinc/07/84/64/183078464.db2.gz QWETXPGOOWLPKU-UHFFFAOYSA-N 0 0 318.370 0.843 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000040497474 183082117 /nfs/dbraw/zinc/08/21/17/183082117.db2.gz ZNYGODQPAQKWBU-UHFFFAOYSA-N 0 0 312.395 0.441 50 0 DCAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)NN1CC(=O)NC1=O ZINC000040511924 183087155 /nfs/dbraw/zinc/08/71/55/183087155.db2.gz ZJHFUVVXMOHERA-UHFFFAOYSA-N 0 0 315.329 0.721 50 0 DCAARN O=C(Cn1cnc2ccc(F)cc2c1=O)NC[C@@H]1CCOC1 ZINC000040514268 183088757 /nfs/dbraw/zinc/08/87/57/183088757.db2.gz BLXDKONSOMOCCC-JTQLQIEISA-N 0 0 305.309 0.688 50 0 DCAARN O=C(Cc1ccc2c(c1)OCCO2)N[C@H]1CCCCNC1=O ZINC000040522157 183090915 /nfs/dbraw/zinc/09/09/15/183090915.db2.gz HQBUHOPYDYNGEF-LBPRGKRZSA-N 0 0 304.346 0.785 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CCn1cccn1 ZINC000040522898 183091197 /nfs/dbraw/zinc/09/11/97/183091197.db2.gz QAXGKSGCMXKJJW-LBPRGKRZSA-N 0 0 314.411 0.204 50 0 DCAARN O=C(Cc1ccc(-n2cccn2)cc1)N[C@H]1CCS(=O)(=O)C1 ZINC000040529733 183094128 /nfs/dbraw/zinc/09/41/28/183094128.db2.gz NKIUGJUGOOKOLK-ZDUSSCGKSA-N 0 0 319.386 0.718 50 0 DCAARN CN(C)c1nc(N)nc(CS(=O)(=O)c2ccc(F)cc2)n1 ZINC000040539936 183097061 /nfs/dbraw/zinc/09/70/61/183097061.db2.gz TVYCPYFRGUASAH-UHFFFAOYSA-N 0 0 311.342 0.633 50 0 DCAARN Nc1nccnc1C(=O)NCCn1ncc2ccccc2c1=O ZINC000040818846 183137881 /nfs/dbraw/zinc/13/78/81/183137881.db2.gz YCFPVRPTHJBLHW-UHFFFAOYSA-N 0 0 310.317 0.199 50 0 DCAARN NS(=O)(=O)Cc1cccc(Nc2ncnc3n[nH]cc32)c1 ZINC000041121130 183167840 /nfs/dbraw/zinc/16/78/40/183167840.db2.gz JGZIFLMYCUEHGI-UHFFFAOYSA-N 0 0 304.335 0.885 50 0 DCAARN O=C(NCCCn1cncn1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000041862619 183222662 /nfs/dbraw/zinc/22/26/62/183222662.db2.gz NQWBNQXRFDZCNB-GFCCVEGCSA-N 0 0 305.382 0.576 50 0 DCAARN O=C(NCCCn1cncn1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000041862548 183222903 /nfs/dbraw/zinc/22/29/03/183222903.db2.gz ABLPIFZIKJUFQD-CYBMUJFWSA-N 0 0 300.318 0.566 50 0 DCAARN CC(C)(CNC(=O)c1ccc2n[nH]nc2c1)N1CCOCC1 ZINC000041903701 183224275 /nfs/dbraw/zinc/22/42/75/183224275.db2.gz JHZKYKPVUIUJAR-UHFFFAOYSA-N 0 0 303.366 0.799 50 0 DCAARN O=C(NC[C@H]1CCOC1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000041938854 183226063 /nfs/dbraw/zinc/22/60/63/183226063.db2.gz UIYIBKMIYGATMU-KGLIPLIRSA-N 0 0 301.350 0.610 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000102181188 193867054 /nfs/dbraw/zinc/86/70/54/193867054.db2.gz NLIWOQVRXCFMNT-BETUJISGSA-N 0 0 318.377 0.554 50 0 DCAARN C[C@H](OCC(F)(F)F)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000042882189 183316870 /nfs/dbraw/zinc/31/68/70/183316870.db2.gz PVIKUVKEMCUBPK-YUMQZZPRSA-N 0 0 303.302 0.599 50 0 DCAARN NC(=O)CCCNC(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000042924951 183319030 /nfs/dbraw/zinc/31/90/30/183319030.db2.gz CMOLYAQSLOSXAP-UHFFFAOYSA-N 0 0 300.318 0.228 50 0 DCAARN Cc1nn(C)c2ncc(NC(=O)CC[C@@H]3NC(=O)NC3=O)cc12 ZINC000042944355 183319795 /nfs/dbraw/zinc/31/97/95/183319795.db2.gz SQHIUNFPGDDBJU-JTQLQIEISA-N 0 0 316.321 0.203 50 0 DCAARN Cc1ccc(OCCN(C)C(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC000042815708 183311982 /nfs/dbraw/zinc/31/19/82/183311982.db2.gz LWRJTKFXSFSVJK-LBPRGKRZSA-N 0 0 305.334 0.430 50 0 DCAARN O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CCCCNC1=O ZINC000042841825 183312990 /nfs/dbraw/zinc/31/29/90/183312990.db2.gz MYMYOPVDOXWGPI-NSHDSACASA-N 0 0 305.334 0.883 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cnc2ccccc2n1 ZINC000044457225 183410755 /nfs/dbraw/zinc/41/07/55/183410755.db2.gz JSLZTPYRBBAGOJ-JTQLQIEISA-N 0 0 305.359 0.794 50 0 DCAARN COC(=O)N1CCC(CNC(=O)C(=O)Nc2ccon2)CC1 ZINC000043941791 183390723 /nfs/dbraw/zinc/39/07/23/183390723.db2.gz ROYZRHLFLQVBLU-UHFFFAOYSA-N 0 0 310.310 0.208 50 0 DCAARN O=C(/C=C/c1ccc2c(c1)OCCO2)N[C@@H]1CCS(=O)(=O)C1 ZINC000048248297 183631046 /nfs/dbraw/zinc/63/10/46/183631046.db2.gz VHXHMKWAWNTVSL-FXMSTWTQSA-N 0 0 323.370 0.774 50 0 DCAARN COc1ccc(CCC(=O)N2CCNC(=O)CC2)cc1OC ZINC000054547670 183944329 /nfs/dbraw/zinc/94/43/29/183944329.db2.gz WTSLLFKEQZDLBE-UHFFFAOYSA-N 0 0 306.362 0.985 50 0 DCAARN Cc1cc(C)n(CCC(=O)NCC2(CO)CCOCC2)c(=O)n1 ZINC000055182958 183969840 /nfs/dbraw/zinc/96/98/40/183969840.db2.gz LHKXEUHUJUNPFQ-UHFFFAOYSA-N 0 0 323.393 0.156 50 0 DCAARN Cc1nnsc1C(=O)NCCn1ncc2c1c(C)nn2C ZINC000057279815 184031328 /nfs/dbraw/zinc/03/13/28/184031328.db2.gz GBJIEUWDBJJBBK-UHFFFAOYSA-N 0 0 305.367 0.668 50 0 DCAARN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(C)c2=O)no1 ZINC000057525509 184041470 /nfs/dbraw/zinc/04/14/70/184041470.db2.gz QLRSPMBWWGLQML-UHFFFAOYSA-N 0 0 314.301 0.635 50 0 DCAARN COCCNC(=O)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000057963227 184064220 /nfs/dbraw/zinc/06/42/20/184064220.db2.gz OTQSKRKBNBYMEJ-UHFFFAOYSA-N 0 0 312.269 0.751 50 0 DCAARN Cc1cc(-c2nnn(CC(=O)N3CCOCC3)n2)ccc1F ZINC000058182301 184085639 /nfs/dbraw/zinc/08/56/39/184085639.db2.gz ZVKYVHDFFQSHKV-UHFFFAOYSA-N 0 0 305.313 0.646 50 0 DCAARN O=C(NCc1cc[nH]n1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000058193565 184086405 /nfs/dbraw/zinc/08/64/05/184086405.db2.gz AXPXPLJRXFAPJR-UHFFFAOYSA-N 0 0 310.317 0.850 50 0 DCAARN COCCN(CC(N)=O)S(=O)(=O)c1ccccc1Cl ZINC000058194523 184086731 /nfs/dbraw/zinc/08/67/31/184086731.db2.gz LNALIVSWFANFLP-UHFFFAOYSA-N 0 0 306.771 0.462 50 0 DCAARN CCOC(=O)CCNC(=O)CCS(=O)(=O)C1CCCC1 ZINC000058216211 184089341 /nfs/dbraw/zinc/08/93/41/184089341.db2.gz QKRTZJZNFYLVIH-UHFFFAOYSA-N 0 0 305.396 0.803 50 0 DCAARN CCNC(=O)CN1CCN(C(=O)c2cc(CC)ccc2O)CC1 ZINC000058355166 184107947 /nfs/dbraw/zinc/10/79/47/184107947.db2.gz STBVLLBBVLXYFO-UHFFFAOYSA-N 0 0 319.405 0.849 50 0 DCAARN C[C@H](NC(=O)COc1ccccc1F)C(=O)N1CCOCC1 ZINC000058357242 184108421 /nfs/dbraw/zinc/10/84/21/184108421.db2.gz PQLXOVKMQHQFAY-NSHDSACASA-N 0 0 310.325 0.568 50 0 DCAARN CN(C)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000058278908 184098902 /nfs/dbraw/zinc/09/89/02/184098902.db2.gz OZWHKMCWNBZGMP-CYBMUJFWSA-N 0 0 311.407 0.272 50 0 DCAARN CC(C)C(=O)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC000058281988 184099345 /nfs/dbraw/zinc/09/93/45/184099345.db2.gz JYIWFGFXMPZYBZ-UHFFFAOYSA-N 0 0 304.306 0.339 50 0 DCAARN CCN(CC)S(=O)(=O)NCCC(=O)NCc1ccccc1 ZINC000058290748 184100840 /nfs/dbraw/zinc/10/08/40/184100840.db2.gz NMBIBKRTROMDPQ-UHFFFAOYSA-N 0 0 313.423 0.869 50 0 DCAARN CN(C)C(=O)[C@H]1CCCN(c2nnnn2-c2ccccc2)C1 ZINC000058296174 184102446 /nfs/dbraw/zinc/10/24/46/184102446.db2.gz JXYZNCAYDQUFNH-LBPRGKRZSA-N 0 0 300.366 0.967 50 0 DCAARN CCCS(=O)(=O)N[C@H]1CCN(C(=O)Nc2cc(C)on2)C1 ZINC000058316031 184104580 /nfs/dbraw/zinc/10/45/80/184104580.db2.gz CFRBANAWCTVKKK-JTQLQIEISA-N 0 0 316.383 0.919 50 0 DCAARN COC(=O)[C@@H](NC(=O)CCN1CCOC1=O)c1ccccc1 ZINC000060317846 184146304 /nfs/dbraw/zinc/14/63/04/184146304.db2.gz UPWARCQEPLEALT-ZDUSSCGKSA-N 0 0 306.318 0.859 50 0 DCAARN O=C(CCC(=O)N1CCNC(=O)C1)Nc1ccc2cc[nH]c2c1 ZINC000061718362 184185269 /nfs/dbraw/zinc/18/52/69/184185269.db2.gz BYRGGXPCVOQUML-UHFFFAOYSA-N 0 0 314.345 0.845 50 0 DCAARN CNS(=O)(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000064595273 184301240 /nfs/dbraw/zinc/30/12/40/184301240.db2.gz WSBDPMPCTKBVMK-UHFFFAOYSA-N 0 0 304.393 0.283 50 0 DCAARN Cc1nn(C)c(=O)c2cc(S(=O)(=O)NCc3ccco3)cn21 ZINC000065246978 184318128 /nfs/dbraw/zinc/31/81/28/184318128.db2.gz YCTYOLXUDGKCQT-UHFFFAOYSA-N 0 0 322.346 0.413 50 0 DCAARN CC(C)Cn1c(=O)c(C(=O)N2CCOCC2)nc2cccnc21 ZINC000065282851 184320714 /nfs/dbraw/zinc/32/07/14/184320714.db2.gz OPKXWVNORATTAC-UHFFFAOYSA-N 0 0 316.361 0.920 50 0 DCAARN CC(=O)NCCCNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 ZINC000065415693 184341008 /nfs/dbraw/zinc/34/10/08/184341008.db2.gz XULSRMSFAUZIPK-UHFFFAOYSA-N 0 0 319.340 0.971 50 0 DCAARN CN1CCN2CCN(C(=O)c3ncoc3C3CC3)C[C@H]2C1=O ZINC000065404479 184337629 /nfs/dbraw/zinc/33/76/29/184337629.db2.gz FLFOSIVPKLFMFY-NSHDSACASA-N 0 0 304.350 0.150 50 0 DCAARN COc1cccc(CCN2CC(=O)N3CC[C@@H](O)C[C@H]3C2=O)c1 ZINC000065405553 184337752 /nfs/dbraw/zinc/33/77/52/184337752.db2.gz FSUKYQPXPIPZQM-HIFRSBDPSA-N 0 0 318.373 0.432 50 0 DCAARN Cc1cccc(NC(=O)CN(C)CCC(=O)N2CCOCC2)n1 ZINC000065605047 184371772 /nfs/dbraw/zinc/37/17/72/184371772.db2.gz JHCZIHZBPANICA-UHFFFAOYSA-N 0 0 320.393 0.509 50 0 DCAARN O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCCn2ncnc21 ZINC000065503540 184356057 /nfs/dbraw/zinc/35/60/57/184356057.db2.gz ZLVNELBNUWOCJF-NSHDSACASA-N 0 0 303.366 0.806 50 0 DCAARN CCN(CC)S(=O)(=O)NCCCN1CCCCCC1=O ZINC000065516358 184358010 /nfs/dbraw/zinc/35/80/10/184358010.db2.gz WKUMQWCFQQAZFA-UHFFFAOYSA-N 0 0 305.444 0.955 50 0 DCAARN O=C(COc1ccc(F)cc1F)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000065621435 184374909 /nfs/dbraw/zinc/37/49/09/184374909.db2.gz JKVOCDOAXMNPFH-LLVKDONJSA-N 0 0 324.283 0.750 50 0 DCAARN Cc1cc(C)n([C@@H]2CCN(C(=O)Cc3nnc(N)s3)C2)n1 ZINC000067833737 184487248 /nfs/dbraw/zinc/48/72/48/184487248.db2.gz CQHKISMGPJIFLL-SNVBAGLBSA-N 0 0 306.395 0.950 50 0 DCAARN C[C@@H](c1nc(C2CC2)no1)N1CCN([C@H]2CCOC2=O)CC1 ZINC000069418625 184513556 /nfs/dbraw/zinc/51/35/56/184513556.db2.gz BTCGNRKSRLVKIS-JQWIXIFHSA-N 0 0 306.366 0.941 50 0 DCAARN CCc1c(C(=O)N2CCN(CC(N)=O)CC2)cnn1C(C)(C)C ZINC000069489143 184519183 /nfs/dbraw/zinc/51/91/83/184519183.db2.gz HNIGAMFBBINGJO-UHFFFAOYSA-N 0 0 321.425 0.444 50 0 DCAARN COc1ccc(-n2ccnc2CN2CC[NH2+][C@@H](C(=O)[O-])C2)cc1 ZINC000071761337 256543144 /nfs/dbraw/zinc/54/31/44/256543144.db2.gz HMBGOLLMQVCBJZ-CQSZACIVSA-N 0 0 316.361 0.739 50 0 DCAARN CCN1CCOC[C@@H]1C(=O)n1nc2cc(OC)ccc2c1N ZINC000521398700 257234633 /nfs/dbraw/zinc/23/46/33/257234633.db2.gz KVHFXXIMRRJIAB-CYBMUJFWSA-N 0 0 304.350 0.988 50 0 DCAARN O=C(NCCN1CCOCC1)c1cnc2c(F)cccc2c1O ZINC000524734757 257213501 /nfs/dbraw/zinc/21/35/01/257213501.db2.gz KGVFDGQLEUSHLJ-UHFFFAOYSA-N 0 0 319.336 0.729 50 0 DCAARN O=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1[nH]nc2ccccc21 ZINC000222568803 257274333 /nfs/dbraw/zinc/27/43/33/257274333.db2.gz LEHDPQQRYBFJCU-KBPBESRZSA-N 0 0 316.361 0.392 50 0 DCAARN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)CN1CCNCC1=O ZINC000237578157 257238771 /nfs/dbraw/zinc/23/87/71/257238771.db2.gz FEOAEDKIFIFKAB-GFCCVEGCSA-N 0 0 303.362 0.541 50 0 DCAARN C[C@H]1C[C@H]1C(=O)N1CC(CS(=O)(=O)NCc2ccccn2)C1 ZINC000521398244 257240293 /nfs/dbraw/zinc/24/02/93/257240293.db2.gz FZKIKLCNDMHYOL-SMDDNHRTSA-N 0 0 323.418 0.615 50 0 DCAARN O=C(NCc1cccnc1-n1cncn1)c1n[nH]c2c1CCC2 ZINC000363189747 257242002 /nfs/dbraw/zinc/24/20/02/257242002.db2.gz IIVXZBKZDJKOPZ-UHFFFAOYSA-N 0 0 309.333 0.804 50 0 DCAARN Cc1noc(CSCC(=O)NCc2cnc3cnccn23)n1 ZINC000426728301 257243276 /nfs/dbraw/zinc/24/32/76/257243276.db2.gz QXPNCGCRLJBLMR-UHFFFAOYSA-N 0 0 318.362 0.970 50 0 DCAARN CCOc1ccc(NC(=O)NCCNS(C)(=O)=O)c(F)c1 ZINC000417455643 257243415 /nfs/dbraw/zinc/24/34/15/257243415.db2.gz YCQBGPZTEBOKOW-UHFFFAOYSA-N 0 0 319.358 0.895 50 0 DCAARN Cc1[nH]c(=O)c(C(=O)N2CCN(C)[C@@H](CCO)C2)c(C)c1C ZINC000426691119 257244559 /nfs/dbraw/zinc/24/45/59/257244559.db2.gz BRQZBODOHCZXLI-ZDUSSCGKSA-N 0 0 307.394 0.851 50 0 DCAARN CCN(Cc1nc(COC)no1)C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000426549913 257246792 /nfs/dbraw/zinc/24/67/92/257246792.db2.gz KPTZXBBOYZWNBF-LBPRGKRZSA-N 0 0 323.397 0.842 50 0 DCAARN COc1cccc2c1NC(=O)C[C@@H]2C(=O)NCCc1cn[nH]n1 ZINC000426510534 257247514 /nfs/dbraw/zinc/24/75/14/257247514.db2.gz YERGAWGSHFKYDU-NSHDSACASA-N 0 0 315.333 0.598 50 0 DCAARN CCn1ncnc1CN1CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12 ZINC000426533883 257247811 /nfs/dbraw/zinc/24/78/11/257247811.db2.gz CBRTWVLCUIVPTH-OFQRWUPVSA-N 0 0 324.425 0.819 50 0 DCAARN C[C@@H]1CN(C(=O)NCCSc2nnnn2C)C[C@H](C)O1 ZINC000426515794 257247820 /nfs/dbraw/zinc/24/78/20/257247820.db2.gz VFUKPTTZXNFCSN-DTORHVGOSA-N 0 0 300.388 0.121 50 0 DCAARN C[C@H](NC(=O)N(C)Cc1[nH]nc2c1CCC2)c1nncn1C ZINC000426491366 257248604 /nfs/dbraw/zinc/24/86/04/257248604.db2.gz FJAWBSXTEIBOFM-VIFPVBQESA-N 0 0 303.370 0.930 50 0 DCAARN O=C(NCc1ccc(F)cc1F)N1CCNC(=O)[C@H]1CCO ZINC000426492936 257248812 /nfs/dbraw/zinc/24/88/12/257248812.db2.gz PBWCODNKPVKCPO-GFCCVEGCSA-N 0 0 313.304 0.357 50 0 DCAARN NC(=O)[C@H]1CCCN1C(=O)NCc1nncn1C1CCCCC1 ZINC000426407726 257251549 /nfs/dbraw/zinc/25/15/49/257251549.db2.gz YXXPESQLZICCQU-GFCCVEGCSA-N 0 0 320.397 0.943 50 0 DCAARN C[C@@H]1COCCN1CCNc1cc(N2CCC[C@H]2CO)ncn1 ZINC000257365226 257257217 /nfs/dbraw/zinc/25/72/17/257257217.db2.gz SGMXDLWMCRAGGB-KGLIPLIRSA-N 0 0 321.425 0.570 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)NC[C@H]1CCCc2ccccc21 ZINC000029109118 257269432 /nfs/dbraw/zinc/26/94/32/257269432.db2.gz VLXFHHJOLFAYMB-CYBMUJFWSA-N 0 0 313.357 0.773 50 0 DCAARN O=C(CNC(=O)NCCOc1ccc(F)c(F)c1)NC1CC1 ZINC000071882535 184886847 /nfs/dbraw/zinc/88/68/47/184886847.db2.gz XKFIUTTWGKMCIB-UHFFFAOYSA-N 0 0 313.304 0.921 50 0 DCAARN COC(=O)CCCNC(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000032794869 134682933 /nfs/dbraw/zinc/68/29/33/134682933.db2.gz BGDRAQLXCUHKLR-LBPRGKRZSA-N 0 0 306.366 0.762 50 0 DCAARN COc1ccc(NC(=O)Nc2c[nH]c(=O)[nH]c2=O)c(OC)c1 ZINC000008599779 395684711 /nfs/dbraw/zinc/68/47/11/395684711.db2.gz UTDAGLNXWOCRLS-UHFFFAOYSA-N 0 0 306.278 0.724 50 0 DCAARN C/C=C/Cn1c(=O)c2c(nc3n2cc(C)n3CCO)n(C)c1=O ZINC000009059858 395685163 /nfs/dbraw/zinc/68/51/63/395685163.db2.gz BYDXQPASRJBULH-SNAWJCMRSA-N 0 0 317.349 0.026 50 0 DCAARN COC(=O)Cn1c(=O)cc(C)n(-c2ccc3c(c2)OCO3)c1=O ZINC000009295570 395685205 /nfs/dbraw/zinc/68/52/05/395685205.db2.gz SOKPAQUUZYQXFW-UHFFFAOYSA-N 0 0 318.285 0.209 50 0 DCAARN COC(=O)CNC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 ZINC000009364117 395685307 /nfs/dbraw/zinc/68/53/07/395685307.db2.gz AWNBBJRLBRCIOR-LBPRGKRZSA-N 0 0 303.318 0.510 50 0 DCAARN COC(=O)CC[C@H](NC(=O)NCc1ccccc1)C(=O)OC ZINC000009340611 395685329 /nfs/dbraw/zinc/68/53/29/395685329.db2.gz VZROCKRGCVLIJU-LBPRGKRZSA-N 0 0 308.334 0.981 50 0 DCAARN CN(Cc1ccsc1)C(=O)COC(=O)c1nccnc1N ZINC000009477390 395685386 /nfs/dbraw/zinc/68/53/86/395685386.db2.gz XLFYQMLBKRZEJS-UHFFFAOYSA-N 0 0 306.347 0.936 50 0 DCAARN COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)NCCc1ccccc1 ZINC000009483654 395685455 /nfs/dbraw/zinc/68/54/55/395685455.db2.gz IIYJIGSUNJRTFU-ZDUSSCGKSA-N 0 0 316.357 0.928 50 0 DCAARN CC(=O)NCc1ccc(C(=O)CSc2nc(N)cc(=O)[nH]2)o1 ZINC000009636023 395685464 /nfs/dbraw/zinc/68/54/64/395685464.db2.gz WUQRIOQAJSFBKI-UHFFFAOYSA-N 0 0 322.346 0.556 50 0 DCAARN CC(C)CCNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 ZINC000010332336 395686078 /nfs/dbraw/zinc/68/60/78/395686078.db2.gz IELZDCFBHVRNRB-UHFFFAOYSA-N 0 0 305.444 0.667 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CCO1 ZINC000010681957 395686231 /nfs/dbraw/zinc/68/62/31/395686231.db2.gz KYDDYMYPBAXVQI-SNVBAGLBSA-N 0 0 310.375 0.981 50 0 DCAARN O=C(NCCS(=O)(=O)N1CCc2ccccc21)[C@H]1CCCO1 ZINC000010875328 395686251 /nfs/dbraw/zinc/68/62/51/395686251.db2.gz PHURFMOVRFPTCZ-CQSZACIVSA-N 0 0 324.402 0.674 50 0 DCAARN CCOc1ccc(-c2cc3c(=O)n(CC(N)=O)ncn3n2)cc1 ZINC000011666429 395686723 /nfs/dbraw/zinc/68/67/23/395686723.db2.gz TXLKPPCKTOOZOZ-UHFFFAOYSA-N 0 0 313.317 0.442 50 0 DCAARN CS(=O)(=O)NCCCn1nc(-c2ccccc2)ccc1=O ZINC000011738452 395686797 /nfs/dbraw/zinc/68/67/97/395686797.db2.gz KIGAHSMGGWBEMQ-UHFFFAOYSA-N 0 0 307.375 0.850 50 0 DCAARN Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)NC(C)(C)C ZINC000011927552 395687031 /nfs/dbraw/zinc/68/70/31/395687031.db2.gz DZAAUYIMJDCNOE-UHFFFAOYSA-N 0 0 308.382 0.579 50 0 DCAARN O=C1COc2ccc(S(=O)(=O)NCc3ccccn3)cc2N1 ZINC000012148082 395687086 /nfs/dbraw/zinc/68/70/86/395687086.db2.gz MKRIKZQLCSHRER-UHFFFAOYSA-N 0 0 319.342 0.891 50 0 DCAARN CNC(=O)Cn1cc(OCc2ccccc2F)c(=O)cc1CO ZINC000012231003 395687204 /nfs/dbraw/zinc/68/72/04/395687204.db2.gz VZTGGFXUTSCQFX-UHFFFAOYSA-N 0 0 320.320 0.805 50 0 DCAARN CCOc1nn(CC)cc1-c1nnc(SCC(N)=O)n1C ZINC000012422681 395687573 /nfs/dbraw/zinc/68/75/73/395687573.db2.gz ULQXPOHRGFFSIL-UHFFFAOYSA-N 0 0 310.383 0.675 50 0 DCAARN C[C@H](Sc1nc(N)nc(N)n1)C(=O)NCc1ccccc1 ZINC000012470004 395687732 /nfs/dbraw/zinc/68/77/32/395687732.db2.gz ITERNMXNPHBUKH-QMMMGPOBSA-N 0 0 304.379 0.833 50 0 DCAARN Cn1c2ccccc2s/c1=N/C(=O)CN1C(=O)CCC1=O ZINC000012560588 395687865 /nfs/dbraw/zinc/68/78/65/395687865.db2.gz WZIJJUMQBBYZJI-CCEZHUSRSA-N 0 0 303.343 0.816 50 0 DCAARN NC(=O)c1cc(NC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000012868716 395688146 /nfs/dbraw/zinc/68/81/46/395688146.db2.gz UJNQUYZWOSDLAE-SSDOTTSWSA-N 0 0 316.766 0.812 50 0 DCAARN CN(CC(=O)N1CCNC1=O)C[C@H]1COc2ccccc2O1 ZINC000012907387 395688150 /nfs/dbraw/zinc/68/81/50/395688150.db2.gz XIVKSQSRESKRIY-NSHDSACASA-N 0 0 305.334 0.310 50 0 DCAARN Cc1ccc(-c2nn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c(=S)o2)cc1 ZINC000013425032 395688538 /nfs/dbraw/zinc/68/85/38/395688538.db2.gz CWTKYAHLAKELJQ-HNCHTBHHSA-N 0 0 324.358 0.793 50 0 DCAARN O=C(NCCO)[C@@H]1CCCN(c2nc(Cl)nc3nc[nH]c32)C1 ZINC000013569304 395688624 /nfs/dbraw/zinc/68/86/24/395688624.db2.gz GUSADNYVDLDLDM-MRVPVSSYSA-N 0 0 324.772 0.331 50 0 DCAARN Cn1ccnc1N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000013694356 395688843 /nfs/dbraw/zinc/68/88/43/395688843.db2.gz GPWSWXBNQUDCNK-UHFFFAOYSA-N 0 0 305.426 0.991 50 0 DCAARN CCN1c2ccccc2[C@@H](NC(=O)C(=O)NCCCOC)C1=O ZINC000013690512 395688857 /nfs/dbraw/zinc/68/88/57/395688857.db2.gz APSGWQOIPBNIHB-CYBMUJFWSA-N 0 0 319.361 0.363 50 0 DCAARN COc1ccc(CN2C(=S)N[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000013692410 395688873 /nfs/dbraw/zinc/68/88/73/395688873.db2.gz IJCAPWMYIMIKMW-RYUDHWBXSA-N 0 0 312.416 0.551 50 0 DCAARN CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCOCC1 ZINC000014032432 395689071 /nfs/dbraw/zinc/68/90/71/395689071.db2.gz YQIPXOBHEYHKIX-LLVKDONJSA-N 0 0 309.391 0.701 50 0 DCAARN COc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cn1 ZINC000014228918 395689368 /nfs/dbraw/zinc/68/93/68/395689368.db2.gz KLEJYAHJIMXTIW-UHFFFAOYSA-N 0 0 313.379 0.700 50 0 DCAARN CC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(C)cc3)CN2C1=O ZINC000014744392 395689602 /nfs/dbraw/zinc/68/96/02/395689602.db2.gz XGMHTYNIHCLFRF-IHRRRGAJSA-N 0 0 315.373 0.603 50 0 DCAARN CCc1ccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@H](C)C(=O)N3C2)cc1 ZINC000014745759 395689679 /nfs/dbraw/zinc/68/96/79/395689679.db2.gz YJHLCDVMTWSUBI-SWHYSGLUSA-N 0 0 315.373 0.467 50 0 DCAARN COC(=O)c1sccc1S(=O)(=O)NN1CCOCC1 ZINC000015084530 395689751 /nfs/dbraw/zinc/68/97/51/395689751.db2.gz YCLZIBUVWBOABB-UHFFFAOYSA-N 0 0 306.365 0.060 50 0 DCAARN O=C(NCCO)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000015063558 395689828 /nfs/dbraw/zinc/68/98/28/395689828.db2.gz QQMPRFRQGLBKNP-CYBMUJFWSA-N 0 0 308.353 0.715 50 0 DCAARN CCCn1c(N)c(C(=O)CN2CCCCCC2)c(=O)n(C)c1=O ZINC000016442765 395690499 /nfs/dbraw/zinc/69/04/99/395690499.db2.gz PKOSBHWVMHFGNX-UHFFFAOYSA-N 0 0 322.409 0.598 50 0 DCAARN O=C(CN1CCOCC1)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000020405423 395691294 /nfs/dbraw/zinc/69/12/94/395691294.db2.gz SIKFKFAGBNFNBV-UHFFFAOYSA-N 0 0 323.368 0.933 50 0 DCAARN O=C(CN1C(=O)CCC1=O)OCC(=O)N1CCc2ccccc21 ZINC000024498177 395692995 /nfs/dbraw/zinc/69/29/95/395692995.db2.gz JEEBYLLTDLOHFR-UHFFFAOYSA-N 0 0 316.313 0.268 50 0 DCAARN COC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000000029876 395679647 /nfs/dbraw/zinc/67/96/47/395679647.db2.gz RKMMKFPYCKUIAN-UHFFFAOYSA-N 0 0 308.153 0.900 50 0 DCAARN NC(=O)C1CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000000077502 395679727 /nfs/dbraw/zinc/67/97/27/395679727.db2.gz LFMAFENBLTWAJM-ZDUSSCGKSA-N 0 0 319.336 0.655 50 0 DCAARN CC[C@@]1(C)OC(=O)N(CCNC(=O)c2ccnn2C)[C@@]1(C)O ZINC000000140299 395679938 /nfs/dbraw/zinc/67/99/38/395679938.db2.gz PMRRGRINOHJDSC-KGLIPLIRSA-N 0 0 310.354 0.479 50 0 DCAARN CCOC(=O)C1CCN(S(=O)(=O)c2cn(C)cn2)CC1 ZINC000000154050 395679981 /nfs/dbraw/zinc/67/99/81/395679981.db2.gz HTKLYAGOOXPXDF-UHFFFAOYSA-N 0 0 301.368 0.384 50 0 DCAARN COc1ccccc1Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000000299151 395680206 /nfs/dbraw/zinc/68/02/06/395680206.db2.gz ZFFFOPTXZWTJMX-UHFFFAOYSA-N 0 0 300.318 0.491 50 0 biogenic DCAARN CNC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000000484528 395680478 /nfs/dbraw/zinc/68/04/78/395680478.db2.gz BKXIBCDEEBPDJO-UHFFFAOYSA-N 0 0 306.771 0.861 50 0 DCAARN CSc1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1 ZINC000000609488 395680581 /nfs/dbraw/zinc/68/05/81/395680581.db2.gz IGJUDJKDCCCJEC-UHFFFAOYSA-N 0 0 319.390 0.921 50 0 DCAARN COC(=O)C1=C[C@@]2(CC(=O)N(c3cccc(C)c3)C2=O)NN1 ZINC000000545977 395680582 /nfs/dbraw/zinc/68/05/82/395680582.db2.gz XLGHPPXKNHWRQZ-HNNXBMFYSA-N 0 0 301.302 0.519 50 0 DCAARN OC[C@@H]1O[C@H](Oc2ccc3ccccc3c2)[C@@H](O)[C@H](O)[C@H]1O ZINC000002149693 395681468 /nfs/dbraw/zinc/68/14/68/395681468.db2.gz MWHKPYATGMFFPI-QMHWVQJVSA-N 0 0 306.314 0.019 50 0 DCAARN C[C@@H]1SCC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000002711163 395681775 /nfs/dbraw/zinc/68/17/75/395681775.db2.gz RZXWZGOKWLJYFR-QMMMGPOBSA-N 0 0 322.342 0.844 50 0 DCAARN Cn1ncc2c1ncn(CC(=O)Nc1ccc(F)cc1)c2=O ZINC000002694095 395681817 /nfs/dbraw/zinc/68/18/17/395681817.db2.gz YBJGVZDEFHRIKN-UHFFFAOYSA-N 0 0 301.281 0.908 50 0 DCAARN Cc1noc(C)c1NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000002803651 395681992 /nfs/dbraw/zinc/68/19/92/395681992.db2.gz DCBVTXUODGQFEC-UHFFFAOYSA-N 0 0 301.368 0.902 50 0 DCAARN CCOC(=O)C1CCN(C(=O)CSc2nncn2C)CC1 ZINC000003275087 395682412 /nfs/dbraw/zinc/68/24/12/395682412.db2.gz VHLRALIVAKYUGN-UHFFFAOYSA-N 0 0 312.395 0.709 50 0 DCAARN Cc1cccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)c1 ZINC000004270171 395682455 /nfs/dbraw/zinc/68/24/55/395682455.db2.gz XIERAIGNAAXUHV-UHFFFAOYSA-N 0 0 323.374 0.502 50 0 DCAARN CCOC(=O)N1CCN(c2cncc(C3=NCCN3)n2)CC1 ZINC000005952844 395682878 /nfs/dbraw/zinc/68/28/78/395682878.db2.gz RANJTHXVCXPNSH-UHFFFAOYSA-N 0 0 304.354 0.105 50 0 DCAARN O=C(CNC(=O)c1ccco1)NCC(=O)NCc1ccccc1 ZINC000007916369 395683681 /nfs/dbraw/zinc/68/36/81/395683681.db2.gz WSEFFHWKNVIAJN-UHFFFAOYSA-N 0 0 315.329 0.442 50 0 DCAARN CS(=O)(=O)NCCNC(=O)NCC1(c2ccccc2)CC1 ZINC000029725012 395699977 /nfs/dbraw/zinc/69/99/77/395699977.db2.gz KIJUKWBRSATCJJ-UHFFFAOYSA-N 0 0 311.407 0.567 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)c2ccc3nsnc3c2)CC1 ZINC000085436804 395700408 /nfs/dbraw/zinc/70/04/08/395700408.db2.gz OXDSVXRZUMHBAX-SNVBAGLBSA-N 0 0 306.391 0.830 50 0 DCAARN CCC[C@@H]1CN(c2noc(CC)n2)C[C@H]1NS(C)(=O)=O ZINC000085532874 395701318 /nfs/dbraw/zinc/70/13/18/395701318.db2.gz MTNPYKFBURWQRR-NXEZZACHSA-N 0 0 302.400 0.786 50 0 DCAARN C[C@@H](Sc1nccn1C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000029997151 395701359 /nfs/dbraw/zinc/70/13/59/395701359.db2.gz MZGUWTRXMJUXAJ-ZJUUUORDSA-N 0 0 317.436 0.546 50 0 DCAARN O=C(NC[C@@]1(O)CCc2ccccc2C1)C(=O)Nc1ccon1 ZINC000085560397 395701462 /nfs/dbraw/zinc/70/14/62/395701462.db2.gz PUKQOKNKBKRLNF-MRXNPFEDSA-N 0 0 315.329 0.649 50 0 DCAARN Cn1cccc(C(=O)NC[C@@H](O)c2ccc3c(c2)CCO3)c1=O ZINC000085558947 395701535 /nfs/dbraw/zinc/70/15/35/395701535.db2.gz ZKNNNZWLCXWSMM-CQSZACIVSA-N 0 0 314.341 0.784 50 0 DCAARN CN(CCCNS(=O)(=O)c1ccccc1)S(C)(=O)=O ZINC000030430844 395702506 /nfs/dbraw/zinc/70/25/06/395702506.db2.gz ABOOZUAJIWNYQA-UHFFFAOYSA-N 0 0 306.409 0.246 50 0 DCAARN COc1ncccc1CNC(=O)c1cnc2n(c1=O)CCS2 ZINC000030305574 395702577 /nfs/dbraw/zinc/70/25/77/395702577.db2.gz AWHVMKZVXGUJTR-UHFFFAOYSA-N 0 0 318.358 0.683 50 0 DCAARN NS(=O)(=O)c1ccc(CCNC(=O)NCC2CCC2)cc1 ZINC000031130507 395705511 /nfs/dbraw/zinc/70/55/11/395705511.db2.gz BGYUBIYBHYRSNV-UHFFFAOYSA-N 0 0 311.407 0.976 50 0 DCAARN C[C@H]1C[C@H]1C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC000031423570 395706606 /nfs/dbraw/zinc/70/66/06/395706606.db2.gz NLGZLLYDURMZMI-WCQYABFASA-N 0 0 303.362 0.191 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)CN1C(=O)COc2ccccc21 ZINC000031390542 395706655 /nfs/dbraw/zinc/70/66/55/395706655.db2.gz IFIMRXGLHRZRIY-LBPRGKRZSA-N 0 0 314.345 0.813 50 0 DCAARN Cc1oc2nc[nH]c(=O)c2c1C(=O)NCC(=O)NC(C)(C)C ZINC000031494077 395706685 /nfs/dbraw/zinc/70/66/85/395706685.db2.gz QEYJHBBQFQGFGH-UHFFFAOYSA-N 0 0 306.322 0.469 50 0 DCAARN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCNCC1 ZINC000032627637 395711400 /nfs/dbraw/zinc/71/14/00/395711400.db2.gz AUGGYXRPGPQYCZ-UHFFFAOYSA-N 0 0 302.352 0.277 50 0 DCAARN CC(C)(C)C(=O)N1CCC(C(=O)NCCNC(=O)C2CC2)CC1 ZINC000032522544 395711496 /nfs/dbraw/zinc/71/14/96/395711496.db2.gz BIXLQINGEDGRGN-UHFFFAOYSA-N 0 0 323.437 0.914 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)NCCSc1ccccc1 ZINC000032748203 395712848 /nfs/dbraw/zinc/71/28/48/395712848.db2.gz WROCUJNHVUVART-NSHDSACASA-N 0 0 307.375 0.883 50 0 DCAARN O=C(CCNS(=O)(=O)c1cccnc1)NCC(F)(F)F ZINC000032826932 395713579 /nfs/dbraw/zinc/71/35/79/395713579.db2.gz OWTRAGQFMFVUIN-UHFFFAOYSA-N 0 0 311.285 0.429 50 0 DCAARN COc1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1 ZINC000032912476 395714403 /nfs/dbraw/zinc/71/44/03/395714403.db2.gz VATWDXNNZQSYIC-CABZTGNLSA-N 0 0 311.359 0.854 50 0 DCAARN Cc1nc2ccccc2c(=O)n1CC(=O)N1CCN(C)C[C@@H]1C ZINC000089729922 395714466 /nfs/dbraw/zinc/71/44/66/395714466.db2.gz GEIJAJMXCJLUBO-LBPRGKRZSA-N 0 0 314.389 0.867 50 0 DCAARN O=C(NCc1cc(F)cc(Br)c1)[C@@H]1CNC(=O)N1 ZINC000089764390 395714923 /nfs/dbraw/zinc/71/49/23/395714923.db2.gz UTFZJLMUOGXWHO-VIFPVBQESA-N 0 0 316.130 0.886 50 0 DCAARN O=C([C@@H]1CNC(=O)N1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000089800406 395715411 /nfs/dbraw/zinc/71/54/11/395715411.db2.gz BYNDYWUNZFANTP-NWDGAFQWSA-N 0 0 317.345 0.803 50 0 DCAARN NS(=O)(=O)N1CCC(C(=O)NOCc2ccccc2)CC1 ZINC000032992440 395715536 /nfs/dbraw/zinc/71/55/36/395715536.db2.gz SWVHWLUHPWBFMF-UHFFFAOYSA-N 0 0 313.379 0.150 50 0 DCAARN C[C@@]1(C(=O)N2CCO[C@H](C(N)=O)C2)CCCc2ccccc21 ZINC000089919405 395716224 /nfs/dbraw/zinc/71/62/24/395716224.db2.gz FDAWSYHWLUKXGS-WMLDXEAASA-N 0 0 302.374 0.993 50 0 DCAARN CCCNC(=O)Cn1c(=O)ccn(Cc2ccc(C)cc2)c1=O ZINC000033330882 395716981 /nfs/dbraw/zinc/71/69/81/395716981.db2.gz AXKHUOAIWKEJDC-UHFFFAOYSA-N 0 0 315.373 0.893 50 0 DCAARN CC(C)OC(=O)CCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000089936751 395716980 /nfs/dbraw/zinc/71/69/80/395716980.db2.gz XCBGHDXVURLJKC-GHMZBOCLSA-N 0 0 308.400 0.272 50 0 DCAARN CC(C)OC(=O)CCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000089936750 395717352 /nfs/dbraw/zinc/71/73/52/395717352.db2.gz XCBGHDXVURLJKC-QWRGUYRKSA-N 0 0 308.400 0.272 50 0 DCAARN CC[C@H](NC(=O)[C@@H]1CNC(=O)N1)c1ccc2c(c1)OCCO2 ZINC000089947844 395717545 /nfs/dbraw/zinc/71/75/45/395717545.db2.gz MRMSVLDIPOHLFQ-QWRGUYRKSA-N 0 0 305.334 0.707 50 0 DCAARN C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccccc1 ZINC000035283969 395720109 /nfs/dbraw/zinc/72/01/09/395720109.db2.gz MFQTWQUICLCFHM-JSGCOSHPSA-N 0 0 310.419 0.810 50 0 DCAARN CC(C)(O)CNC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000036111305 395722348 /nfs/dbraw/zinc/72/23/48/395722348.db2.gz KOPDXVKUONZBNS-UHFFFAOYSA-N 0 0 304.346 0.950 50 0 DCAARN O=C(CN1CCN(C(=O)Cc2cccs2)CC1)NC1CC1 ZINC000036386298 395723361 /nfs/dbraw/zinc/72/33/61/395723361.db2.gz UZMBRHWABJMTDU-UHFFFAOYSA-N 0 0 307.419 0.713 50 0 DCAARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1-n1cnnn1)C(=O)OC ZINC000036580041 395723391 /nfs/dbraw/zinc/72/33/91/395723391.db2.gz DBABZFCBQCUZLJ-ZWNOBZJWSA-N 0 0 317.349 0.980 50 0 DCAARN O=C(Cc1ccccc1)NCC(=O)N1CCC2(CC1)OCCO2 ZINC000028091529 395695800 /nfs/dbraw/zinc/69/58/00/395695800.db2.gz BXQBROXTNFHAKS-UHFFFAOYSA-N 0 0 318.373 0.711 50 0 DCAARN NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000028273714 395695933 /nfs/dbraw/zinc/69/59/33/395695933.db2.gz QWXKQKPDJZSVEK-GFCCVEGCSA-N 0 0 319.361 0.352 50 0 DCAARN Cc1nn(C)c2c1nnn(CC(=O)Nc1ccc(F)cc1)c2=O ZINC000028559815 395696048 /nfs/dbraw/zinc/69/60/48/395696048.db2.gz WGIGXHODSMRTBO-UHFFFAOYSA-N 0 0 316.296 0.611 50 0 DCAARN CC(C)Cn1c(N)c(C(=O)CN2CCCCC2)c(=O)[nH]c1=O ZINC000028900733 395696342 /nfs/dbraw/zinc/69/63/42/395696342.db2.gz RZGPHSFECFZMRU-UHFFFAOYSA-N 0 0 308.382 0.443 50 0 DCAARN CCc1ccc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)o1 ZINC000029202903 395697045 /nfs/dbraw/zinc/69/70/45/395697045.db2.gz WARKXFXZNUWMOI-SNVBAGLBSA-N 0 0 300.380 0.996 50 0 DCAARN CC(=O)NCCNS(=O)(=O)c1cccc2cc(C)cnc21 ZINC000029322513 395697750 /nfs/dbraw/zinc/69/77/50/395697750.db2.gz 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/nfs/dbraw/zinc/74/45/26/395744526.db2.gz LHVLNGIIAMSGQA-UHFFFAOYSA-N 0 0 307.437 0.910 50 0 DCAARN Cn1nc(CCC(=O)NCc2ccc3c(c2)OCO3)ccc1=O ZINC000096123941 395745503 /nfs/dbraw/zinc/74/55/03/395745503.db2.gz OUSYRKDAFPCWAX-UHFFFAOYSA-N 0 0 315.329 0.758 50 0 DCAARN CC(=O)N1CCO[C@@H](CNc2nc3c(s2)c(C)nn3C)C1 ZINC000096131543 395745615 /nfs/dbraw/zinc/74/56/15/395745615.db2.gz CFALZQZDCYCJDD-JTQLQIEISA-N 0 0 309.395 0.997 50 0 DCAARN CN(C)CC(=O)Nc1cccc(NC(=O)NCC(=O)N(C)C)c1 ZINC000096149636 395746081 /nfs/dbraw/zinc/74/60/81/395746081.db2.gz XIEZHOKSTJVJSF-UHFFFAOYSA-N 0 0 321.381 0.396 50 0 DCAARN Cc1ncc(C(=O)N2CC[C@]3(C2)CCCN(C)C3=O)c(=O)[nH]1 ZINC000096141284 395746088 /nfs/dbraw/zinc/74/60/88/395746088.db2.gz KYIOKANFVDWMSK-HNNXBMFYSA-N 0 0 304.350 0.163 50 0 DCAARN COCCNC(=O)[C@@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000096290144 395752494 /nfs/dbraw/zinc/75/24/94/395752494.db2.gz YODCMAHEIHDSFB-CQSZACIVSA-N 0 0 321.421 0.968 50 0 DCAARN Cc1cccc(CNC(=O)Cn2ccnc2S(C)(=O)=O)c1 ZINC000096447824 395753144 /nfs/dbraw/zinc/75/31/44/395753144.db2.gz NXLWLGJUAAGRDW-UHFFFAOYSA-N 0 0 307.375 0.911 50 0 DCAARN C[S@@](=O)C[C@H](NC(=O)c1nccnc1N)c1ccccc1 ZINC000096445511 395753189 /nfs/dbraw/zinc/75/31/89/395753189.db2.gz YSFNWIYMVSOGBS-MQJDWESPSA-N 0 0 304.375 0.908 50 0 DCAARN C[S@@](=O)C[C@@H](NC(=O)c1nccnc1N)c1ccccc1 ZINC000096445513 395753232 /nfs/dbraw/zinc/75/32/32/395753232.db2.gz YSFNWIYMVSOGBS-FIKIJFGZSA-N 0 0 304.375 0.908 50 0 DCAARN C[C@H]1CN=C(N2CCN(c3ncnc4nc[nH]c43)CC2)S1 ZINC000096453749 395753932 /nfs/dbraw/zinc/75/39/32/395753932.db2.gz SEYAMANOUSYKEG-VIFPVBQESA-N 0 0 303.395 0.966 50 0 DCAARN Cn1cc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)cn1 ZINC000096496850 395754230 /nfs/dbraw/zinc/75/42/30/395754230.db2.gz VAEOHTLABJCECY-NSHDSACASA-N 0 0 310.383 0.113 50 0 DCAARN CCOc1cccc(CNC(=O)CSc2n[nH]c(=O)n2C)c1 ZINC000097493845 395758208 /nfs/dbraw/zinc/75/82/08/395758208.db2.gz SVSDQGAXUQIOGZ-UHFFFAOYSA-N 0 0 322.390 0.916 50 0 DCAARN CCCn1nc(C(=O)N[C@H]2CCc3nc(C)cn3C2)ccc1=O ZINC000097198032 395755509 /nfs/dbraw/zinc/75/55/09/395755509.db2.gz IPQWOHFXBCLYAN-LBPRGKRZSA-N 0 0 315.377 0.903 50 0 DCAARN CS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]c2=O)CC1 ZINC000097201272 395756054 /nfs/dbraw/zinc/75/60/54/395756054.db2.gz ZDIPRFRDSKTPNX-UHFFFAOYSA-N 0 0 322.390 0.000 50 0 DCAARN Nc1ncccc1CN1CCN(C(=O)c2ccc[nH]2)C[C@H](O)C1 ZINC000097324068 395757193 /nfs/dbraw/zinc/75/71/93/395757193.db2.gz BORTWAWVKNNZJJ-CYBMUJFWSA-N 0 0 315.377 0.311 50 0 DCAARN O=c1c(F)cn([C@H]2CCCO2)c(=O)n1C[C@H](O)C(F)(F)F ZINC000097377990 395757718 /nfs/dbraw/zinc/75/77/18/395757718.db2.gz MIJYTXGISLTZLP-JGVFFNPUSA-N 0 0 312.219 0.381 50 0 DCAARN Cc1cc(N2CCN(C(=O)CN3CCOCC3)CC2)nc(C)n1 ZINC000044714649 395758401 /nfs/dbraw/zinc/75/84/01/395758401.db2.gz NAQXXJMSEOSTTJ-UHFFFAOYSA-N 0 0 319.409 0.074 50 0 DCAARN CCn1nc(C)c(CN(CCOC)C(=O)c2cn[nH]n2)c1C ZINC000097505806 395758568 /nfs/dbraw/zinc/75/85/68/395758568.db2.gz CDOIZKUZYGOPJH-UHFFFAOYSA-N 0 0 306.370 0.927 50 0 DCAARN O=C(NCCN1CCOCC1)c1ccc(-c2nc[nH]n2)cc1 ZINC000097522102 395758581 /nfs/dbraw/zinc/75/85/81/395758581.db2.gz ISYUATBHBBLMET-UHFFFAOYSA-N 0 0 301.350 0.534 50 0 DCAARN COc1cccc(C)c1C(=O)N1CCN(CCO)C[C@H](O)C1 ZINC000097522116 395758696 /nfs/dbraw/zinc/75/86/96/395758696.db2.gz YFYUSTBRNRWZSI-ZDUSSCGKSA-N 0 0 308.378 0.115 50 0 DCAARN C[C@@H](CO)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000044953886 395760137 /nfs/dbraw/zinc/76/01/37/395760137.db2.gz FDDANMLXWDTDRY-RWMBFGLXSA-N 0 0 322.409 0.875 50 0 DCAARN CN(C)C(=O)N1CCN(c2cncc(-n3cccn3)n2)CC1 ZINC000044975538 395760202 /nfs/dbraw/zinc/76/02/02/395760202.db2.gz OZWDYXPGJOGOGT-UHFFFAOYSA-N 0 0 301.354 0.466 50 0 DCAARN Cc1n[nH]c(CN2CCCN(CC(=O)N(C)C)CC2)c1Cl ZINC000097729456 395760274 /nfs/dbraw/zinc/76/02/74/395760274.db2.gz APWVWMYMEOAUPM-UHFFFAOYSA-N 0 0 313.833 0.967 50 0 DCAARN C[C@@H](C(=O)NCc1ccccc1Cn1ccnc1)S(C)(=O)=O ZINC000044951775 395760461 /nfs/dbraw/zinc/76/04/61/395760461.db2.gz FDIUZFYIQKBENL-LBPRGKRZSA-N 0 0 321.402 0.981 50 0 DCAARN CC(=O)N1CCN(C(=O)CCc2cccc(F)c2)C[C@@H](O)C1 ZINC000097716958 395760567 /nfs/dbraw/zinc/76/05/67/395760567.db2.gz SUOPWEIXTRJOJP-HNNXBMFYSA-N 0 0 308.353 0.810 50 0 DCAARN O=C(CCc1[nH]nc2c1CCCC2)N[C@H]1C=CS(=O)(=O)C1 ZINC000097775444 395760964 /nfs/dbraw/zinc/76/09/64/395760964.db2.gz DCERDTUEYVQBPD-JTQLQIEISA-N 0 0 309.391 0.648 50 0 DCAARN C[C@]12CCC(=O)N1[C@H](C(=O)NCCCn1cccn1)CS2 ZINC000045936222 395768685 /nfs/dbraw/zinc/76/86/85/395768685.db2.gz GSWVBXSZXAXAGA-FZMZJTMJSA-N 0 0 308.407 0.843 50 0 DCAARN CC(C)Oc1ccc(CNC(=O)[C@@H](C)S(C)(=O)=O)cn1 ZINC000048248953 395811570 /nfs/dbraw/zinc/81/15/70/395811570.db2.gz POVZYFDQCYXBDX-SNVBAGLBSA-N 0 0 300.380 0.918 50 0 DCAARN O=C(NC[C@H](O)c1ccccc1F)N[C@H]1CCS(=O)(=O)C1 ZINC000048303146 395813075 /nfs/dbraw/zinc/81/30/75/395813075.db2.gz QEXLETAVQKQXKC-CABZTGNLSA-N 0 0 316.354 0.345 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCc1ccco1 ZINC000048342026 395813940 /nfs/dbraw/zinc/81/39/40/395813940.db2.gz HIWKEAWQUOOLGO-LLVKDONJSA-N 0 0 315.395 0.893 50 0 DCAARN COC(=O)CNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000048402182 395815157 /nfs/dbraw/zinc/81/51/57/395815157.db2.gz VGNYXURSERMLOB-UHFFFAOYSA-N 0 0 301.302 0.200 50 0 DCAARN O=C(NCc1cccnc1N1CCOCC1)NC[C@@H]1CCOC1 ZINC000048956339 395825345 /nfs/dbraw/zinc/82/53/45/395825345.db2.gz UYWFWVCGOFZRBB-ZDUSSCGKSA-N 0 0 320.393 0.754 50 0 DCAARN COc1ccc(NC(=O)Cn2c(N)nc(C)cc2=O)cc1OC ZINC000049410839 395832100 /nfs/dbraw/zinc/83/21/00/395832100.db2.gz GROUNMOAUUXSCF-UHFFFAOYSA-N 0 0 318.333 0.790 50 0 DCAARN COc1ccc(O[C@@H]2CCN(C(=O)N3CCN(C)CC3)C2)nn1 ZINC000225441158 395859776 /nfs/dbraw/zinc/85/97/76/395859776.db2.gz FQRQWQQFUHQMJZ-GFCCVEGCSA-N 0 0 321.381 0.306 50 0 DCAARN Cc1nc2ccc(NS(=O)(=O)[C@@H](C)C(=O)N(C)C)cn2n1 ZINC000225437381 395859840 /nfs/dbraw/zinc/85/98/40/395859840.db2.gz PIWASKDHEWBOAE-QMMMGPOBSA-N 0 0 311.367 0.256 50 0 DCAARN CC(C)S(=O)(=O)N1CC[C@H](Oc2cncc(N(C)C)n2)C1 ZINC000225408078 395859877 /nfs/dbraw/zinc/85/98/77/395859877.db2.gz YLIQKCPARLKDLE-NSHDSACASA-N 0 0 314.411 0.734 50 0 DCAARN COc1nn(C)cc1C(=O)N1CCC[C@@H](Oc2cccnn2)C1 ZINC000225454490 395860497 /nfs/dbraw/zinc/86/04/97/395860497.db2.gz PWRJEZGQNOJSOS-LLVKDONJSA-N 0 0 317.349 0.902 50 0 DCAARN CN1C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C12CCCCC2 ZINC000225450225 395860596 /nfs/dbraw/zinc/86/05/96/395860596.db2.gz RZJJVSLCRXPLHA-JTQLQIEISA-N 0 0 300.380 0.770 50 0 DCAARN Cc1cc(=O)[nH]c(SCC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)n1 ZINC000219025777 395843736 /nfs/dbraw/zinc/84/37/36/395843736.db2.gz DOZJSYBWHWYEQZ-SNVBAGLBSA-N 0 0 324.406 0.296 50 0 DCAARN COc1nn(C)cc1C(=O)N1CCC[C@H](Oc2cnccn2)C1 ZINC000225471387 395860625 /nfs/dbraw/zinc/86/06/25/395860625.db2.gz QAFDTNHFDGLHQO-NSHDSACASA-N 0 0 317.349 0.902 50 0 DCAARN O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1COCC[C@H]1O ZINC000219712728 395846106 /nfs/dbraw/zinc/84/61/06/395846106.db2.gz GUHMXVYFYXSKTA-CHWSQXEVSA-N 0 0 313.375 0.116 50 0 DCAARN Cc1nc(CCNC(=O)CN2CCOC2=O)nc2c1CCC2 ZINC000219606186 395846405 /nfs/dbraw/zinc/84/64/05/395846405.db2.gz JFHPSAJQROVCKQ-UHFFFAOYSA-N 0 0 304.350 0.385 50 0 DCAARN CC[C@H](NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)c1ccc(C)cn1 ZINC000219862391 395847100 /nfs/dbraw/zinc/84/71/00/395847100.db2.gz PIMKLVIWMOLGNB-LBPRGKRZSA-N 0 0 316.361 0.885 50 0 DCAARN Cc1cc(=O)[nH]c(CCNc2cc(C3CC(O)C3)ncn2)n1 ZINC000219860019 395847235 /nfs/dbraw/zinc/84/72/35/395847235.db2.gz XBYPSJYYHPESIC-UHFFFAOYSA-N 0 0 301.350 0.761 50 0 DCAARN Cc1ccn(CC(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)n1 ZINC000220043236 395847312 /nfs/dbraw/zinc/84/73/12/395847312.db2.gz FBPCVHYNQKTPCO-HGMXIMQMSA-N 0 0 303.366 0.553 50 0 DCAARN COc1ccnc(N2CCCn3nc([C@@H](O)CO)cc3C2)n1 ZINC000220250232 395848060 /nfs/dbraw/zinc/84/80/60/395848060.db2.gz BAMPSMFPEUCQOH-LBPRGKRZSA-N 0 0 305.338 0.118 50 0 DCAARN COCCn1cnnc1CNC(=O)[C@@H](O)c1ccc(OC)cc1 ZINC000221315487 395850148 /nfs/dbraw/zinc/85/01/48/395850148.db2.gz DJZGHVXTAZLVMW-AWEZNQCLSA-N 0 0 320.349 0.283 50 0 DCAARN COCCc1nc(CNC(=O)[C@@H](C)n2cc(Cl)cn2)no1 ZINC000222464718 395852712 /nfs/dbraw/zinc/85/27/12/395852712.db2.gz CVBJIYMTXOHRHV-MRVPVSSYSA-N 0 0 313.745 0.986 50 0 DCAARN CCN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@@H]1CCOC(C)(C)C1 ZINC000222902134 395853562 /nfs/dbraw/zinc/85/35/62/395853562.db2.gz SRNHZDDRYMRRJE-SNVBAGLBSA-N 0 0 309.366 0.493 50 0 DCAARN O=C(Cn1cnnn1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000223233276 395854147 /nfs/dbraw/zinc/85/41/47/395854147.db2.gz OPQMTBJCCQQAQT-LLVKDONJSA-N 0 0 312.337 0.122 50 0 DCAARN O=C(CN1CCOC1=O)NCCc1nc(-c2cccnc2)no1 ZINC000223303506 395854951 /nfs/dbraw/zinc/85/49/51/395854951.db2.gz DOZKNUOSSVNUQC-UHFFFAOYSA-N 0 0 317.305 0.243 50 0 DCAARN CN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccsc1 ZINC000223532847 395855586 /nfs/dbraw/zinc/85/55/86/395855586.db2.gz FWQRMXOFIVOMHW-NEPJUHHUSA-N 0 0 312.391 0.740 50 0 DCAARN Cn1cc([C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@H]2C[C@@H](O)C2)cn1 ZINC000223748373 395856481 /nfs/dbraw/zinc/85/64/81/395856481.db2.gz PUIDHVYBVXTJQY-CHIMOYNISA-N 0 0 315.377 0.874 50 0 DCAARN O=C(NCCNc1cnccn1)[C@H]1COc2ccccc2O1 ZINC000047492607 395793875 /nfs/dbraw/zinc/79/38/75/395793875.db2.gz WZWXRHDIENPYKM-CYBMUJFWSA-N 0 0 300.318 0.845 50 0 DCAARN Cc1n[nH]c(C(=O)N2CC[C@@H](C(N)=O)C2)c1Br ZINC000054080573 395893238 /nfs/dbraw/zinc/89/32/38/395893238.db2.gz MEMFAPKWVDJOCO-ZCFIWIBFSA-N 0 0 301.144 0.428 50 0 DCAARN O=c1[nH]c2ccc(S(=O)(=O)N3CCOCC34CCC4)cc2[nH]1 ZINC000123769506 395896806 /nfs/dbraw/zinc/89/68/06/395896806.db2.gz SBUVVTLSAPMUGK-UHFFFAOYSA-N 0 0 323.374 0.800 50 0 DCAARN Cc1noc2nc(C)cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c12 ZINC000054400484 395899843 /nfs/dbraw/zinc/89/98/43/395899843.db2.gz HEAALYLDZJZOBK-SECBINFHSA-N 0 0 309.347 0.757 50 0 DCAARN CCOC(=O)N1CCN(S(=O)(=O)NC2CCCCC2)CC1 ZINC000054420832 395899884 /nfs/dbraw/zinc/89/98/84/395899884.db2.gz MFVOBVLPHPKNBF-UHFFFAOYSA-N 0 0 319.427 0.928 50 0 DCAARN Cc1cc(C)n(CCC(=O)N[C@@H](C)Cc2cnccn2)c(=O)n1 ZINC000055270534 395915482 /nfs/dbraw/zinc/91/54/82/395915482.db2.gz RCJUMYZMZMWICH-LBPRGKRZSA-N 0 0 315.377 0.788 50 0 DCAARN CC(C)CN(Cc1ccccn1)C(=O)C[C@H]1NC(=O)NC1=O ZINC000055270339 395915665 /nfs/dbraw/zinc/91/56/65/395915665.db2.gz FFVRMHCCBCITBL-GFCCVEGCSA-N 0 0 304.350 0.664 50 0 DCAARN Cc1cc(=O)[nH]c(NCCNC(=O)CCN2CCCCO2)n1 ZINC000055309089 395917057 /nfs/dbraw/zinc/91/70/57/395917057.db2.gz MJAVZJRYTSTIBX-UHFFFAOYSA-N 0 0 309.370 0.024 50 0 DCAARN O=C(NC[C@H]1COCCO1)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000055846880 395922689 /nfs/dbraw/zinc/92/26/89/395922689.db2.gz BLYUKWUYCWZASA-GXTWGEPZSA-N 0 0 308.309 0.850 50 0 DCAARN Cc1cc(CC(=O)N[C@H]2C[C@H](c3nnc(CO)n3C)C2)on1 ZINC000244842354 395925101 /nfs/dbraw/zinc/92/51/01/395925101.db2.gz UPEFKIBVPINVCA-MGCOHNPYSA-N 0 0 305.338 0.209 50 0 DCAARN O=C(COC[C@H]1CCCCO1)NCc1cn2cccnc2n1 ZINC000244899694 395926318 /nfs/dbraw/zinc/92/63/18/395926318.db2.gz ZOFQQSLTDUGWQU-CYBMUJFWSA-N 0 0 304.350 0.931 50 0 DCAARN CCOCC(=O)N1CCC[C@H](Oc2nccnc2N(C)C)C1 ZINC000225503270 395861714 /nfs/dbraw/zinc/86/17/14/395861714.db2.gz PLCAACAPZIRBRH-LBPRGKRZSA-N 0 0 308.382 0.949 50 0 DCAARN C[C@@H]1CN(CCOCC(F)F)[C@@H](C)CN1S(C)(=O)=O ZINC000225549653 395861788 /nfs/dbraw/zinc/86/17/88/395861788.db2.gz UGSFSHPVKNYFKE-VHSXEESVSA-N 0 0 300.371 0.622 50 0 DCAARN O=C1COC(=O)N1C1CN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000225696266 395862240 /nfs/dbraw/zinc/86/22/40/395862240.db2.gz VKAIIFRSJUBFFD-VOTSOKGWSA-N 0 0 322.342 0.650 50 0 DCAARN COCCNC(=O)Cn1cc(COc2cccc(F)c2)nn1 ZINC000227169771 395867932 /nfs/dbraw/zinc/86/79/32/395867932.db2.gz SIHXQGRLDLRNGF-UHFFFAOYSA-N 0 0 308.313 0.759 50 0 DCAARN C[C@H](OCc1ccccc1)C(=O)NCC1(C(N)=O)CCOCC1 ZINC000052744808 395869155 /nfs/dbraw/zinc/86/91/55/395869155.db2.gz IJKNDRSVVPEWQL-ZDUSSCGKSA-N 0 0 320.389 0.990 50 0 DCAARN C[C@@H]1CCCCN1S(=O)(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000229756981 395875758 /nfs/dbraw/zinc/87/57/58/395875758.db2.gz SNUKNPQDMMFTGL-DGCLKSJQSA-N 0 0 311.407 0.922 50 0 DCAARN COC(=O)[C@H](CNC(=O)OC(C)(C)C)N1CC[C@@H](CO)C1 ZINC000230150893 395878456 /nfs/dbraw/zinc/87/84/56/395878456.db2.gz LJZFUCJMVFLCBI-MNOVXSKESA-N 0 0 302.371 0.367 50 0 DCAARN COc1cccc(N2CCN([C@@H](C)C(=O)NC(N)=O)CC2)c1 ZINC000057358881 395943616 /nfs/dbraw/zinc/94/36/16/395943616.db2.gz BYCKQWMIKNKSOH-NSHDSACASA-N 0 0 306.366 0.401 50 0 DCAARN COCCOc1ccc(NC(=O)[C@@H](C)S(C)(=O)=O)cn1 ZINC000058158930 395951519 /nfs/dbraw/zinc/95/15/19/395951519.db2.gz CQZDDWNPQAQCRB-SECBINFHSA-N 0 0 302.352 0.478 50 0 DCAARN O=C(NCc1ccoc1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000063863500 395983500 /nfs/dbraw/zinc/98/35/00/395983500.db2.gz SKBWOUUACWBZBG-CQSZACIVSA-N 0 0 321.377 0.077 50 0 DCAARN Cc1nc(CCNC(=O)[C@@H]2CCS(=O)(=O)C2)sc1C ZINC000151575131 395988124 /nfs/dbraw/zinc/98/81/24/395988124.db2.gz HRYXJOIMJSWCCJ-SNVBAGLBSA-N 0 0 302.421 0.853 50 0 DCAARN Cc1cc(C)n(-c2ccnc(N3CCC(C(N)=O)CC3)n2)n1 ZINC000065240325 395991172 /nfs/dbraw/zinc/99/11/72/395991172.db2.gz KDPBXQJIZQKVQZ-UHFFFAOYSA-N 0 0 300.366 0.981 50 0 DCAARN CCS(=O)(=O)N1CCC(Nc2nccnc2OC)CC1 ZINC000065268538 395991916 /nfs/dbraw/zinc/99/19/16/395991916.db2.gz OPJJMOVSIKRIQT-UHFFFAOYSA-N 0 0 300.384 0.711 50 0 DCAARN CCc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(N)n1 ZINC000065310918 395992294 /nfs/dbraw/zinc/99/22/94/395992294.db2.gz FFUHDUFXSFONJP-UHFFFAOYSA-N 0 0 304.325 0.843 50 0 DCAARN COc1nccnc1N1CC[C@H](N(C)C(=O)c2ccnn2C)C1 ZINC000065269013 395992431 /nfs/dbraw/zinc/99/24/31/395992431.db2.gz GHHLGLKDDLKAJS-NSHDSACASA-N 0 0 316.365 0.570 50 0 DCAARN O=C(NCc1ccnc(N2CCOCC2)c1)[C@H]1CCC(=O)NC1 ZINC000065578173 395995222 /nfs/dbraw/zinc/99/52/22/395995222.db2.gz QXWVTAHBEKOXAT-ZDUSSCGKSA-N 0 0 318.377 0.061 50 0 DCAARN COC(=O)c1ccc(N2CCN([C@@H](C)C(N)=O)[C@@H](C)C2)cc1 ZINC000065593129 395995313 /nfs/dbraw/zinc/99/53/13/395995313.db2.gz UZNMTEMCPVSMNC-RYUDHWBXSA-N 0 0 305.378 0.858 50 0 DCAARN O=c1c(F)cn([C@H]2CCCO2)c(=O)n1C[C@@H](O)C(F)(F)F ZINC000097377992 296527514 /nfs/dbraw/zinc/52/75/14/296527514.db2.gz MIJYTXGISLTZLP-HTQZYQBOSA-N 0 0 312.219 0.381 50 0 DCAARN COCCOCC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC ZINC000067508556 396027887 /nfs/dbraw/zinc/02/78/87/396027887.db2.gz JYNATICYEFLVAB-AWEZNQCLSA-N 0 0 307.346 0.776 50 0 DCAARN CSCC[C@@H](CO)NC(=O)c1cccc(-n2nnnc2C)c1 ZINC000253415142 396027894 /nfs/dbraw/zinc/02/78/94/396027894.db2.gz ZTISMCZABTXJNX-LBPRGKRZSA-N 0 0 321.406 0.815 50 0 DCAARN COc1ccc2c(c1)OC[C@@H](NS(=O)(=O)c1ccnn1C)C2 ZINC000253429953 396028982 /nfs/dbraw/zinc/02/89/82/396028982.db2.gz VWHCWOJYZDQVDZ-NSHDSACASA-N 0 0 323.374 0.711 50 0 DCAARN CN(C)c1nc([C@H]2C[C@@H](NC(=O)N3CCOCC3)C2)cc(=O)[nH]1 ZINC000253535326 396029809 /nfs/dbraw/zinc/02/98/09/396029809.db2.gz TYDIJTQUZRBYJF-PHIMTYICSA-N 0 0 321.381 0.536 50 0 DCAARN CN(Cc1cc(C(=O)NC[C@H](O)CO)no1)Cc1ccccc1 ZINC000067642329 396030294 /nfs/dbraw/zinc/03/02/94/396030294.db2.gz XMSFFFRDQWUPGK-ZDUSSCGKSA-N 0 0 319.361 0.390 50 0 DCAARN O=C(COC[C@H]1CCCCO1)NCCc1c[nH]c(=O)[nH]c1=O ZINC000253537245 396030674 /nfs/dbraw/zinc/03/06/74/396030674.db2.gz GYLQQEUKEMYCLR-LLVKDONJSA-N 0 0 311.338 0.132 50 0 DCAARN COc1cccc(OCc2cc(C(=O)N3CC(O)C3)n[nH]2)c1 ZINC000067713707 396031693 /nfs/dbraw/zinc/03/16/93/396031693.db2.gz KYDHYOOKMYYKNY-UHFFFAOYSA-N 0 0 303.318 0.814 50 0 DCAARN Cc1nc2cc(CC(=O)N3CCC(O)(CO)CC3)ccc2[nH]1 ZINC000067713988 396031773 /nfs/dbraw/zinc/03/17/73/396031773.db2.gz SUFYXGHJMGPORZ-UHFFFAOYSA-N 0 0 303.362 0.760 50 0 DCAARN Cn1ccsc1=NC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000254507012 396032308 /nfs/dbraw/zinc/03/23/08/396032308.db2.gz RWJIWESOALTYAW-UHFFFAOYSA-N 0 0 315.376 0.470 50 0 DCAARN CCOC(=O)c1n[nH]cc1[C@H]1CC(=O)NCc2nc(N)sc21 ZINC000067772471 396033145 /nfs/dbraw/zinc/03/31/45/396033145.db2.gz PHCGCXQYSCTWBJ-ZCFIWIBFSA-N 0 0 321.362 0.777 50 0 DCAARN COC[C@@H]1CN(C(=O)COc2cccc(C)c2)C[C@H]1C(N)=O ZINC000257188704 396034969 /nfs/dbraw/zinc/03/49/69/396034969.db2.gz MYYHLIOWFHOUQP-GXTWGEPZSA-N 0 0 306.362 0.580 50 0 DCAARN Cc1oncc1C(=O)NC1CCN(c2ccc(=O)n(C)n2)CC1 ZINC000257196911 396036213 /nfs/dbraw/zinc/03/62/13/396036213.db2.gz ZCMOZZRTHVYMRU-UHFFFAOYSA-N 0 0 317.349 0.476 50 0 DCAARN Cc1ccccc1N1CCN(C(=O)Cn2nnnc2N)[C@H](C)C1 ZINC000067868554 396037021 /nfs/dbraw/zinc/03/70/21/396037021.db2.gz JHOCUCRAOSKREX-GFCCVEGCSA-N 0 0 315.381 0.301 50 0 DCAARN CN(Cc1ccccc1)S(=O)(=O)N1CCC(O)(CO)CC1 ZINC000067947844 396039464 /nfs/dbraw/zinc/03/94/64/396039464.db2.gz XYHGMNOEIMWEOI-UHFFFAOYSA-N 0 0 314.407 0.182 50 0 DCAARN Cn1ccnc1[C@@H]1CNCCN1C(=O)COc1ccccc1 ZINC000261820025 396069853 /nfs/dbraw/zinc/06/98/53/396069853.db2.gz XTXKWJXLZMOLQU-AWEZNQCLSA-N 0 0 300.362 0.972 50 0 DCAARN CC(C)S(=O)(=O)NC[C@@H]1CCCN([C@H]2C[C@@H](C)OC2=O)C1 ZINC000249697888 396011155 /nfs/dbraw/zinc/01/11/55/396011155.db2.gz VFNOCBMKPASBTH-AGIUHOORSA-N 0 0 318.439 0.730 50 0 DCAARN Cc1ccc(CN(C)C(=O)CN2CCN(C[C@@H](C)O)CC2)o1 ZINC000069656616 396085908 /nfs/dbraw/zinc/08/59/08/396085908.db2.gz DWHVYOVONJLVLL-CYBMUJFWSA-N 0 0 309.410 0.545 50 0 DCAARN CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)Nc1nncs1 ZINC000069739189 396088790 /nfs/dbraw/zinc/08/87/90/396088790.db2.gz FYYCPKCXPOCQLP-RYUDHWBXSA-N 0 0 323.422 0.952 50 0 DCAARN CCNC(=O)N1[C@H](CC(=O)OCC)C(=O)N[C@@H]2CCCC[C@@H]21 ZINC000169365491 396090316 /nfs/dbraw/zinc/09/03/16/396090316.db2.gz SQEFPRNRXQHVOA-GRYCIOLGSA-N 0 0 311.382 0.781 50 0 DCAARN COCCS(=O)(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000069817968 396091043 /nfs/dbraw/zinc/09/10/43/396091043.db2.gz AHVIREJXYPYXCI-UHFFFAOYSA-N 0 0 300.315 0.795 50 0 DCAARN Cn1nc2n(c1=O)CCN(C(=O)Cc1ccccc1F)CC2 ZINC000169783105 396091899 /nfs/dbraw/zinc/09/18/99/396091899.db2.gz CERAWZPERKDDLC-UHFFFAOYSA-N 0 0 304.325 0.348 50 0 DCAARN O=C(Cc1c(F)cccc1Cl)N1CCc2n[nH]c(=O)n2CC1 ZINC000169783706 396092552 /nfs/dbraw/zinc/09/25/52/396092552.db2.gz AUQJKOWLJNGPSF-UHFFFAOYSA-N 0 0 324.743 0.991 50 0 DCAARN COCCn1c(C)cnc1CCNS(=O)(=O)c1cccnc1 ZINC000169788120 396092793 /nfs/dbraw/zinc/09/27/93/396092793.db2.gz IDVZVTBGDKVIJE-UHFFFAOYSA-N 0 0 324.406 0.754 50 0 DCAARN COC(=O)[C@H]1C[C@@H](O)CN1CCn1c(C)nc2ccccc21 ZINC000170089390 396094399 /nfs/dbraw/zinc/09/43/99/396094399.db2.gz QSCZAIWNYNDGKZ-IUODEOHRSA-N 0 0 303.362 0.953 50 0 DCAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCCN1CCOCC1 ZINC000069921287 396094578 /nfs/dbraw/zinc/09/45/78/396094578.db2.gz XOQJIGVHYQASSM-AWEZNQCLSA-N 0 0 324.377 0.909 50 0 DCAARN CCc1nn(C)c(CC)c1S(=O)(=O)NCc1nc(C)no1 ZINC000170613240 396095873 /nfs/dbraw/zinc/09/58/73/396095873.db2.gz UFEKQQKNOYRJQX-UHFFFAOYSA-N 0 0 313.383 0.715 50 0 DCAARN O=C(CN1CSCC1=O)N1CCCC[C@H]1Cn1cccn1 ZINC000069970228 396096154 /nfs/dbraw/zinc/09/61/54/396096154.db2.gz JWWIDJQCIGFRQJ-LBPRGKRZSA-N 0 0 308.407 0.797 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)c2cnn3ccc(C)nc23)CC1 ZINC000069976789 396097180 /nfs/dbraw/zinc/09/71/80/396097180.db2.gz VGTMNMJEBKHDLS-ZDUSSCGKSA-N 0 0 317.393 0.566 50 0 DCAARN COC[C@]1(C)NC(=O)N(C[C@H](O)c2ccc(F)c(F)c2)C1=O ZINC000071186316 396110730 /nfs/dbraw/zinc/11/07/30/396110730.db2.gz WKZPGFXVEQZEKR-FZMZJTMJSA-N 0 0 314.288 0.955 50 0 DCAARN COCCOc1ncccc1C(=O)N1CCn2c(C)nnc2C1 ZINC000071185508 396110952 /nfs/dbraw/zinc/11/09/52/396110952.db2.gz YNBRHWFYSSOCCR-UHFFFAOYSA-N 0 0 317.349 0.663 50 0 DCAARN COC(=O)CCNC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C ZINC000071185042 396110998 /nfs/dbraw/zinc/11/09/98/396110998.db2.gz JIJKPMYUOYVREK-VIFPVBQESA-N 0 0 318.395 0.976 50 0 DCAARN CCc1cc(N2CC[NH2+][C@H](C(=O)[O-])C2)nc(N2CCCCC2)n1 ZINC000071415601 396113725 /nfs/dbraw/zinc/11/37/25/396113725.db2.gz MZDZGKZKOGVBEF-ZDUSSCGKSA-N 0 0 319.409 0.892 50 0 DCAARN NC(=O)C(NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1)C(N)=O ZINC000071804015 396115438 /nfs/dbraw/zinc/11/54/38/396115438.db2.gz KYSQXIXASOMUES-NSHDSACASA-N 0 0 322.340 0.305 50 0 DCAARN Cc1cc([C@@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)on1 ZINC000071810989 396115564 /nfs/dbraw/zinc/11/55/64/396115564.db2.gz RNSXPCYOFXEBIS-LBPRGKRZSA-N 0 0 304.350 0.718 50 0 DCAARN NC(=O)C1CCN(C(=O)Cn2nnnc2C2CCCC2)CC1 ZINC000071819413 396116074 /nfs/dbraw/zinc/11/60/74/396116074.db2.gz LDNBFBQHQGQOPT-UHFFFAOYSA-N 0 0 306.370 0.055 50 0 DCAARN CCOC1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000071820677 396116385 /nfs/dbraw/zinc/11/63/85/396116385.db2.gz HWKQEOLKOKDXLU-UHFFFAOYSA-N 0 0 316.361 0.819 50 0 DCAARN C[C@@H]1CN(C[C@H](O)Cn2nc(-c3ccco3)oc2=O)C[C@H](C)O1 ZINC000071825101 396117006 /nfs/dbraw/zinc/11/70/06/396117006.db2.gz BZICFCPHWAXTFG-TUAOUCFPSA-N 0 0 323.349 0.566 50 0 DCAARN O=C(Cn1c(=O)cnc2ccccc21)N1CCN(C2CC2)CC1 ZINC000071836766 396117768 /nfs/dbraw/zinc/11/77/68/396117768.db2.gz GTAPWVLQCKAEPA-UHFFFAOYSA-N 0 0 312.373 0.703 50 0 DCAARN CCCC[C@H](NC(N)=O)C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000071831116 396117906 /nfs/dbraw/zinc/11/79/06/396117906.db2.gz XUFXYPLYVDEWRF-RYUDHWBXSA-N 0 0 306.366 0.556 50 0 DCAARN Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCC(N3CCNC3=O)CC2)cn1 ZINC000071841425 396118374 /nfs/dbraw/zinc/11/83/74/396118374.db2.gz AHZJLNWCTMUQLJ-KBPBESRZSA-N 0 0 317.393 0.540 50 0 DCAARN CCc1cc(N2CCC[C@@H](N3CCNC3=O)C2)n2ncnc2n1 ZINC000071840985 396118506 /nfs/dbraw/zinc/11/85/06/396118506.db2.gz USXUSTLQYINFSJ-GFCCVEGCSA-N 0 0 315.381 0.681 50 0 DCAARN Cn1cc([C@H]2C[C@H]2C(=O)N2CCC(N3CCNC3=O)CC2)cn1 ZINC000071841428 396118707 /nfs/dbraw/zinc/11/87/07/396118707.db2.gz AHZJLNWCTMUQLJ-ZIAGYGMSSA-N 0 0 317.393 0.540 50 0 DCAARN O=C([C@@H]1CCOC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000071863741 396119566 /nfs/dbraw/zinc/11/95/66/396119566.db2.gz PFMXSWIWTNDTAB-HZPDHXFCSA-N 0 0 304.390 0.901 50 0 DCAARN O=C([C@H]1CCOC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000071863747 396119632 /nfs/dbraw/zinc/11/96/32/396119632.db2.gz PFMXSWIWTNDTAB-JKSUJKDBSA-N 0 0 304.390 0.901 50 0 DCAARN Cc1cnn(C[C@H]2CCCN2C(=O)[C@H]2CCCN(C(N)=O)C2)c1 ZINC000071866865 396119894 /nfs/dbraw/zinc/11/98/94/396119894.db2.gz BWUPKFSIMPKOBS-UONOGXRCSA-N 0 0 319.409 0.973 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(CC)o2)CC1 ZINC000071881995 396122419 /nfs/dbraw/zinc/12/24/19/396122419.db2.gz CZRXJKCXIBHXNK-ZDUSSCGKSA-N 0 0 310.394 0.997 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)Cc2cn3ccccc3n2)CC1 ZINC000071881028 396122560 /nfs/dbraw/zinc/12/25/60/396122560.db2.gz MIPKSWQMQXGNJK-OAHLLOKOSA-N 0 0 316.405 0.792 50 0 DCAARN CC(C)(O)CN1CCN(C(=O)c2cccn3ccnc23)CC1 ZINC000071881839 396122958 /nfs/dbraw/zinc/12/29/58/396122958.db2.gz GHUVLGDIYOQKCH-UHFFFAOYSA-N 0 0 302.378 0.863 50 0 DCAARN C/C=C/C=C/C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000071896374 396123260 /nfs/dbraw/zinc/12/32/60/396123260.db2.gz RICRYDUYPCCOKB-BASFFPBWSA-N 0 0 321.421 0.510 50 0 DCAARN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC000071893168 396123834 /nfs/dbraw/zinc/12/38/34/396123834.db2.gz XKPOWSITRBQZQU-RDBSUJKOSA-N 0 0 309.410 0.034 50 0 DCAARN NS(=O)(=O)CCNC(=O)c1csc(-c2ccsc2)n1 ZINC000071897891 396124243 /nfs/dbraw/zinc/12/42/43/396124243.db2.gz SUTMGGZVQSECAX-UHFFFAOYSA-N 0 0 317.417 0.890 50 0 DCAARN O=C(CN1CC[C@@H](O)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000071907434 396124735 /nfs/dbraw/zinc/12/47/35/396124735.db2.gz OYNPJUWKOGISKJ-OAHLLOKOSA-N 0 0 305.378 0.528 50 0 DCAARN CCC(=O)N[C@H]1CCCN(C(=O)Nc2cccn(C)c2=O)C1 ZINC000071920113 396125252 /nfs/dbraw/zinc/12/52/52/396125252.db2.gz CUYIKGKLHBIXLT-NSHDSACASA-N 0 0 306.366 0.908 50 0 DCAARN O[C@@H](CN1CCO[C@H](Cn2cncn2)C1)c1cccc(F)c1 ZINC000072253390 396127800 /nfs/dbraw/zinc/12/78/00/396127800.db2.gz LGJGNHDFNJZDTB-GJZGRUSLSA-N 0 0 306.341 0.852 50 0 DCAARN Cc1cn2c(n1)CC[C@H](NC(=O)CCn1ccccc1=O)C2 ZINC000072278995 396129141 /nfs/dbraw/zinc/12/91/41/396129141.db2.gz LTUAYRPEMZNXHI-ZDUSSCGKSA-N 0 0 300.362 0.875 50 0 DCAARN C[C@@H](Nc1nccn2nnnc12)c1cccc(S(N)(=O)=O)c1 ZINC000072311014 396130851 /nfs/dbraw/zinc/13/08/51/396130851.db2.gz MRNQKNDHZVLUFJ-MRVPVSSYSA-N 0 0 319.350 0.340 50 0 DCAARN O=C(Nc1nnc(-c2ccccn2)s1)N1C[C@@H](O)[C@@H](O)C1 ZINC000072311271 396130970 /nfs/dbraw/zinc/13/09/70/396130970.db2.gz WDTZJKGBMXXIHE-DTORHVGOSA-N 0 0 307.335 0.169 50 0 DCAARN Cc1cccc(NC(=O)CN(C)CC(=O)N2CCOCC2)n1 ZINC000069385974 396076277 /nfs/dbraw/zinc/07/62/77/396076277.db2.gz RNTQSRKLSJXCJJ-UHFFFAOYSA-N 0 0 306.366 0.119 50 0 DCAARN O=C(CN1CCO[C@@H](Cn2cccn2)C1)NCc1ccco1 ZINC000069386954 396076368 /nfs/dbraw/zinc/07/63/68/396076368.db2.gz HBWTXKNDRAUMDL-CQSZACIVSA-N 0 0 304.350 0.493 50 0 DCAARN Cc1csc(N2CCN(CC(=O)NC3CCOCC3)CC2)n1 ZINC000069377605 396076681 /nfs/dbraw/zinc/07/66/81/396076681.db2.gz CIIMPBGBVYFCRF-UHFFFAOYSA-N 0 0 324.450 0.869 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCO[C@H](Cn3cccn3)C2)on1 ZINC000069414977 396077340 /nfs/dbraw/zinc/07/73/40/396077340.db2.gz FEMMLUGHSVHJFN-STQMWFEESA-N 0 0 319.365 0.908 50 0 DCAARN CS(=O)(=O)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000069420527 396078228 /nfs/dbraw/zinc/07/82/28/396078228.db2.gz KQKFMKUVSAXQHD-UHFFFAOYSA-N 0 0 313.423 0.566 50 0 DCAARN C[C@H](c1nc(C2CC2)no1)N1CCN(CCn2cncn2)CC1 ZINC000069438058 396078539 /nfs/dbraw/zinc/07/85/39/396078539.db2.gz PXHYWYYTHWFKOZ-GFCCVEGCSA-N 0 0 317.397 0.917 50 0 DCAARN Cc1cnn(C[C@@H]2CN(CC(=O)Nc3nccs3)CCO2)c1 ZINC000069452117 396078589 /nfs/dbraw/zinc/07/85/89/396078589.db2.gz KTMMPKSRXRCNRA-LBPRGKRZSA-N 0 0 321.406 0.988 50 0 DCAARN CCN(CC)S(=O)(=O)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000069484292 396080145 /nfs/dbraw/zinc/08/01/45/396080145.db2.gz NIPMOJUJACHAFX-LLVKDONJSA-N 0 0 321.468 0.570 50 0 DCAARN CCN1CCN(C2CCN(Cc3nnnn3C3CC3)CC2)C1=O ZINC000069518153 396081214 /nfs/dbraw/zinc/08/12/14/396081214.db2.gz NNWRZCIAUMUNBN-UHFFFAOYSA-N 0 0 319.413 0.730 50 0 DCAARN CCN(CC)S(=O)(=O)N1CSC[C@@H]1C(=O)N(C)C1CC1 ZINC000069517378 396081346 /nfs/dbraw/zinc/08/13/46/396081346.db2.gz FDWSEMZHOFBNFQ-LLVKDONJSA-N 0 0 321.468 0.569 50 0 DCAARN CCc1nnc2n1CCN(CCC(=O)Nc1cc(C)on1)C2 ZINC000069592410 396083469 /nfs/dbraw/zinc/08/34/69/396083469.db2.gz ZLURIEAEUIPSSW-UHFFFAOYSA-N 0 0 304.354 0.981 50 0 DCAARN Cc1cc(NC(=O)CNC(=O)C(=O)NC2CCCCC2)on1 ZINC000069596891 396084641 /nfs/dbraw/zinc/08/46/41/396084641.db2.gz JDJZYGNIHFDXGN-UHFFFAOYSA-N 0 0 308.338 0.487 50 0 DCAARN Cn1cc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCCCC2)cn1 ZINC000069620176 396084741 /nfs/dbraw/zinc/08/47/41/396084741.db2.gz ALNJXDMZEDWIBV-ZIAGYGMSSA-N 0 0 312.439 0.161 50 0 DCAARN Cc1n[nH]cc1CNC(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000076854777 396209590 /nfs/dbraw/zinc/20/95/90/396209590.db2.gz TUAHNSVICAMPPN-AWEZNQCLSA-N 0 0 311.349 0.805 50 0 DCAARN Cc1nnc([C@H]2CN(C(=O)CCCn3cccn3)CCO2)[nH]1 ZINC000076045171 396192808 /nfs/dbraw/zinc/19/28/08/396192808.db2.gz LOLZTFBUCZCOKH-GFCCVEGCSA-N 0 0 304.354 0.690 50 0 DCAARN CCCc1nnc([C@@H]2CN(CCN3CCCC3=O)CCO2)[nH]1 ZINC000076049407 396193872 /nfs/dbraw/zinc/19/38/72/396193872.db2.gz PGPKASNHJXNUSJ-LBPRGKRZSA-N 0 0 307.398 0.753 50 0 DCAARN O=C(CN1C(=O)CNC1=O)NCCc1nc2ccccc2s1 ZINC000078430867 396245138 /nfs/dbraw/zinc/24/51/38/396245138.db2.gz VWOYXBYBZOELSO-UHFFFAOYSA-N 0 0 318.358 0.507 50 0 DCAARN COCCOc1cccc(C(=O)N2CCN(CCO)CC2)c1 ZINC000078680231 396251869 /nfs/dbraw/zinc/25/18/69/396251869.db2.gz RBCIZLYHWKFACZ-UHFFFAOYSA-N 0 0 308.378 0.462 50 0 DCAARN Cc1nc(C)n([C@@H]2CCCN(C(=O)CCn3ccnn3)C2)n1 ZINC000078806080 396254209 /nfs/dbraw/zinc/25/42/09/396254209.db2.gz CVFNCZYDFDLGQB-CYBMUJFWSA-N 0 0 303.370 0.740 50 0 DCAARN CCOC(=O)C1CCN(Cn2c3cnccc3n(C)c2=O)CC1 ZINC000078876008 396255472 /nfs/dbraw/zinc/25/54/72/396255472.db2.gz YQVFVVLNAXCDGN-UHFFFAOYSA-N 0 0 318.377 0.968 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)[nH]1 ZINC000078888844 396256292 /nfs/dbraw/zinc/25/62/92/396256292.db2.gz IHISPVCFGYBEPF-GFCCVEGCSA-N 0 0 318.381 0.944 50 0 DCAARN Cn1cc(CCCN2CCO[C@H](CNc3cccnn3)C2)cn1 ZINC000078893710 396256771 /nfs/dbraw/zinc/25/67/71/396256771.db2.gz FKCBKIJEHAGNSB-OAHLLOKOSA-N 0 0 316.409 0.956 50 0 DCAARN c1cnnc(NC[C@@H]2CN(CCOC[C@@H]3CCCO3)CCO2)c1 ZINC000078893673 396256808 /nfs/dbraw/zinc/25/68/08/396256808.db2.gz OHKDCRGRVFWNIP-LSDHHAIUSA-N 0 0 322.409 0.785 50 0 DCAARN CCN(Cc1nc(C(=O)OC)co1)[C@@H]1CCS(=O)(=O)C1 ZINC000077386255 396220527 /nfs/dbraw/zinc/22/05/27/396220527.db2.gz DXHFNTPBYLUALR-SECBINFHSA-N 0 0 302.352 0.470 50 0 DCAARN CC(C)Oc1cccc2c1c(NC(=O)Cn1cnnn1)nn2C ZINC000077407485 396221170 /nfs/dbraw/zinc/22/11/70/396221170.db2.gz JSNVBWGDOJVCIC-UHFFFAOYSA-N 0 0 315.337 0.986 50 0 DCAARN CCCNC(=O)NCC[C@@H]1CN(c2cnn(C)c(=O)c2)CCO1 ZINC000077420230 396222432 /nfs/dbraw/zinc/22/24/32/396222432.db2.gz PYNHZNIORLZMPV-CYBMUJFWSA-N 0 0 323.397 0.085 50 0 DCAARN O=C(c1ccc(Cn2cccn2)o1)N1CCOC[C@H](CO)C1 ZINC000077452405 396223464 /nfs/dbraw/zinc/22/34/64/396223464.db2.gz LOSBYOSOQZXTIF-LBPRGKRZSA-N 0 0 305.334 0.605 50 0 DCAARN Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)CCO)CC1 ZINC000077488636 396223717 /nfs/dbraw/zinc/22/37/17/396223717.db2.gz ZULKSTDNLKDPAO-UHFFFAOYSA-N 0 0 321.425 0.499 50 0 DCAARN Cc1[nH][nH]c(=O)c1CC(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000077564754 396226273 /nfs/dbraw/zinc/22/62/73/396226273.db2.gz KIVLIFLOAQLDTK-NSHDSACASA-N 0 0 309.366 0.811 50 0 DCAARN Cc1cc(=O)[nH]c(CCNC(=O)c2cnn3ccn(C)c23)n1 ZINC000584884508 396631626 /nfs/dbraw/zinc/63/16/26/396631626.db2.gz MIJHQXCSINOXLF-UHFFFAOYSA-N 0 0 300.322 0.449 50 0 DCAARN O=C(CCCc1cn[nH]c1)N1CCN(Cc2nc[nH]n2)CC1 ZINC000584887455 396633490 /nfs/dbraw/zinc/63/34/90/396633490.db2.gz UPZNEDKUDKLPOV-UHFFFAOYSA-N 0 0 303.370 0.195 50 0 DCAARN CCc1noc(CNC2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000584898579 396635879 /nfs/dbraw/zinc/63/58/79/396635879.db2.gz KMBHSGCHEPWFLL-GFCCVEGCSA-N 0 0 308.382 0.892 50 0 DCAARN COCCN1CCN(C(=O)NCCCn2ccccc2=O)CC1 ZINC000584900665 396636552 /nfs/dbraw/zinc/63/65/52/396636552.db2.gz SNLFDVPMCYNCHI-UHFFFAOYSA-N 0 0 322.409 0.212 50 0 DCAARN Cc1nc(SCC(=O)N2CCC(c3ncon3)CC2)n[nH]1 ZINC000584901935 396637039 /nfs/dbraw/zinc/63/70/39/396637039.db2.gz BQLWGWOEFDWPQZ-UHFFFAOYSA-N 0 0 308.367 0.994 50 0 DCAARN CN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)Cc2ccccc21 ZINC000585141748 396642176 /nfs/dbraw/zinc/64/21/76/396642176.db2.gz XLIBKZGPWVFLPR-OLZOCXBDSA-N 0 0 308.403 0.598 50 0 DCAARN CO[C@H]1C[C@@H](C(N)=O)N(c2noc(Cc3ccc(F)cc3)n2)C1 ZINC000585141833 396642213 /nfs/dbraw/zinc/64/22/13/396642213.db2.gz GNQUKWMXCVOZED-RYUDHWBXSA-N 0 0 320.324 0.879 50 0 DCAARN Cc1cc(C)nc(O[C@H]2CCCN(C(=O)c3cn(C)nn3)C2)n1 ZINC000585147219 396642254 /nfs/dbraw/zinc/64/22/54/396642254.db2.gz AJGOHIUEMOAKRW-LBPRGKRZSA-N 0 0 316.365 0.906 50 0 DCAARN CN(Cc1noc(C2CC2)n1)[C@H]1CCN([C@H]2CCOC2=O)C1 ZINC000299754258 396713726 /nfs/dbraw/zinc/71/37/26/396713726.db2.gz RWRYHVFMNGPZLZ-RYUDHWBXSA-N 0 0 306.366 0.769 50 0 DCAARN Cn1nc(C(=O)N2CCC(Oc3cnsn3)CC2)ccc1=O ZINC000618257202 396942443 /nfs/dbraw/zinc/94/24/43/396942443.db2.gz RIZPGVDNDSIHLN-UHFFFAOYSA-N 0 0 321.362 0.315 50 0 DCAARN O=C(C[C@H]1CCOC1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000365467984 397284882 /nfs/dbraw/zinc/28/48/82/397284882.db2.gz MRAMGCRKKHCSGQ-CYBMUJFWSA-N 0 0 310.394 0.510 50 0 DCAARN Cc1cnccc1Cn1cc(CN2CCS(=O)CC2)nn1 ZINC000603246677 397588505 /nfs/dbraw/zinc/58/85/05/397588505.db2.gz LGTCXHLURUHGDQ-UHFFFAOYSA-N 0 0 305.407 0.594 50 0 DCAARN O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)NC(=O)NC2=O ZINC000065488012 304386373 /nfs/dbraw/zinc/38/63/73/304386373.db2.gz VAMKNKSOHYFQME-CHWSQXEVSA-N 0 0 313.357 0.991 50 0 DCAARN CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCc1ccccn1 ZINC000044870197 286606315 /nfs/dbraw/zinc/60/63/15/286606315.db2.gz OSQILRUQJSIQTF-ZDUSSCGKSA-N 0 0 311.407 0.554 50 0 DCAARN Cn1nncc1CN1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000328653401 159017464 /nfs/dbraw/zinc/01/74/64/159017464.db2.gz LDNKJHGQFWAXHZ-UHFFFAOYSA-N 0 0 313.427 0.205 50 0 DCAARN O=C(CN1CCCCC1=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000329144997 159067843 /nfs/dbraw/zinc/06/78/43/159067843.db2.gz WQCOZKMBGCJGLJ-BFHYXJOUSA-N 0 0 310.394 0.387 50 0 DCAARN O=C1CCCN1C1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000371557301 159573829 /nfs/dbraw/zinc/57/38/29/159573829.db2.gz SHKUWUVQQNGMNV-UHFFFAOYSA-N 0 0 315.439 0.804 50 0 DCAARN C[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C[C@@H](C)O1 ZINC000003333493 296809766 /nfs/dbraw/zinc/80/97/66/296809766.db2.gz QBWYLUBGDSEPGT-VXGBXAGGSA-N 0 0 323.393 0.877 50 0 DCAARN C[C@H](CNC(=O)N[C@H](C)C(=O)N1CCCC1)N1CCOCC1 ZINC000070018891 298736721 /nfs/dbraw/zinc/73/67/21/298736721.db2.gz VGZXUBOQIBZBAD-CHWSQXEVSA-N 0 0 312.414 0.017 50 0 DCAARN COCCNC(=O)CCC(=O)Nc1nnc2cccc(OC)n21 ZINC000065314450 411893452 /nfs/dbraw/zinc/89/34/52/411893452.db2.gz AJPQIGWINPHIDA-UHFFFAOYSA-N 0 0 321.337 0.219 50 0 DCAARN Nc1ccnc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)n1 ZINC000135033898 196439856 /nfs/dbraw/zinc/43/98/56/196439856.db2.gz ZEFMBDIANQYKFR-GFCCVEGCSA-N 0 0 305.382 0.272 50 0 DCAARN C/C=C/Cn1c(=O)c2c(nc3n2[C@@H](C)C(C)N=N3)n(C)c1=O ZINC000010337030 415150994 /nfs/dbraw/zinc/15/09/94/415150994.db2.gz JVIRTACXWPQCCW-CYNONHLPSA-N 0 0 302.338 0.835 50 0 DCAARN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000025170339 415157215 /nfs/dbraw/zinc/15/72/15/415157215.db2.gz ZDBIEURQGJRHDG-NSHDSACASA-N 0 0 309.410 0.618 50 0 DCAARN COC(=O)c1ccc(CCNC(=O)CCn2cncn2)cc1 ZINC000025079207 415157718 /nfs/dbraw/zinc/15/77/18/415157718.db2.gz NCFFQNQXWDKIEZ-UHFFFAOYSA-N 0 0 302.334 0.814 50 0 DCAARN CCCNC(=O)CN(C)CC(=O)Nc1sccc1C(N)=O ZINC000025393088 415161541 /nfs/dbraw/zinc/16/15/41/415161541.db2.gz NVPTYMSXFVLGLP-UHFFFAOYSA-N 0 0 312.395 0.244 50 0 DCAARN CNC(=O)[C@@H]1CCCCN1C(=O)CCNC(=O)C1CCCC1 ZINC000025301517 415162097 /nfs/dbraw/zinc/16/20/97/415162097.db2.gz LTBWSEXFGJIVTG-ZDUSSCGKSA-N 0 0 309.410 0.810 50 0 DCAARN C[C@H](Cc1ccco1)NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000025300901 415162302 /nfs/dbraw/zinc/16/23/02/415162302.db2.gz JVHRMWIVTLOUKK-SNVBAGLBSA-N 0 0 315.395 0.242 50 0 DCAARN Cc1cccn2c1nc(N1CCC(C(N)=O)CC1)c(C=O)c2=O ZINC000000572312 415126535 /nfs/dbraw/zinc/12/65/35/415126535.db2.gz BEDJTDIVIFWQDG-UHFFFAOYSA-N 0 0 314.345 0.517 50 0 DCAARN COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(O)c(OC)c1 ZINC000005016115 415129359 /nfs/dbraw/zinc/12/93/59/415129359.db2.gz GEOAQYUCCPPSKD-LBPRGKRZSA-N 0 0 317.305 0.849 50 0 DCAARN CCN1C(=O)C[C@@H](N2CCN(c3nc(C)cc(C)n3)CC2)C1=O ZINC000004738746 415131072 /nfs/dbraw/zinc/13/10/72/415131072.db2.gz ONAQCFPXMLAQNP-CYBMUJFWSA-N 0 0 317.393 0.363 50 0 DCAARN CC1=NN(CC(C)C)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000005147989 415133495 /nfs/dbraw/zinc/13/34/95/415133495.db2.gz XZSOWZBRDJQUGU-SNVBAGLBSA-N 0 0 318.381 0.847 50 0 DCAARN Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1-c1ccccc1N ZINC000006061975 415133930 /nfs/dbraw/zinc/13/39/30/415133930.db2.gz XZJRQMICJSDCKL-UHFFFAOYSA-N 0 0 310.317 0.556 50 0 DCAARN O=C1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCN1 ZINC000007216331 415137189 /nfs/dbraw/zinc/13/71/89/415137189.db2.gz HBRJJWOJKCUIKC-UHFFFAOYSA-N 0 0 308.281 0.826 50 0 DCAARN O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1 ZINC000007216376 415138494 /nfs/dbraw/zinc/13/84/94/415138494.db2.gz ZBOZCRYOUZPUHJ-UHFFFAOYSA-N 0 0 308.281 0.826 50 0 DCAARN COCCCNS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 ZINC000007373936 415141037 /nfs/dbraw/zinc/14/10/37/415141037.db2.gz MYPCWJCXOZAHLD-UHFFFAOYSA-N 0 0 316.379 0.968 50 0 DCAARN NC(=O)COc1ccc(C(=O)OCC(=O)N2CCCC2)cc1 ZINC000007580936 415142147 /nfs/dbraw/zinc/14/21/47/415142147.db2.gz KHLJRYGGPYHELR-UHFFFAOYSA-N 0 0 306.318 0.330 50 0 DCAARN CCCNC(=O)COC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000007678461 415142458 /nfs/dbraw/zinc/14/24/58/415142458.db2.gz YMAAUKZBRFBNTJ-UHFFFAOYSA-N 0 0 308.334 0.494 50 0 DCAARN CCNC(=O)[C@@H](C)NC(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000008267646 415146194 /nfs/dbraw/zinc/14/61/94/415146194.db2.gz CISRVUMVMFNTLF-LLVKDONJSA-N 0 0 316.361 0.810 50 0 DCAARN COCCNC(=O)CSc1nc2ccsc2c(=O)n1C ZINC000026101787 415165607 /nfs/dbraw/zinc/16/56/07/415165607.db2.gz JAOXFMUCNQNGCS-UHFFFAOYSA-N 0 0 313.404 0.850 50 0 DCAARN CCOCCCNS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 ZINC000026747644 415168992 /nfs/dbraw/zinc/16/89/92/415168992.db2.gz XQHIKXMRZYUBLA-UHFFFAOYSA-N 0 0 316.379 0.499 50 0 DCAARN C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)n1cnc2ccccc21 ZINC000030604708 415183388 /nfs/dbraw/zinc/18/33/88/415183388.db2.gz LZWRNOSAYVCVIU-MNOVXSKESA-N 0 0 307.375 0.901 50 0 DCAARN CN(C(=O)[C@@H]1CC(=O)Nc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000040488068 415198874 /nfs/dbraw/zinc/19/88/74/415198874.db2.gz SZIKDGASECNMMS-CMPLNLGQSA-N 0 0 322.386 0.758 50 0 DCAARN C[C@H](C(=O)NCCc1ccccc1)S(=O)(=O)c1nncn1C ZINC000040539988 415199228 /nfs/dbraw/zinc/19/92/28/415199228.db2.gz JMANGTYPGZBBAD-LLVKDONJSA-N 0 0 322.390 0.336 50 0 DCAARN CC(=O)N[C@@H](C(=O)N1CCN(c2cnccn2)CC1)C(C)C ZINC000044895562 415232449 /nfs/dbraw/zinc/23/24/49/415232449.db2.gz MDHVKBDIJCQSDZ-CQSZACIVSA-N 0 0 305.382 0.286 50 0 DCAARN CC(C)(C)C(=O)COC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000044908264 415232699 /nfs/dbraw/zinc/23/26/99/415232699.db2.gz WLCOPENNFFLCTM-UHFFFAOYSA-N 0 0 306.384 0.060 50 0 DCAARN Cc1noc(C)c1CS(=O)(=O)CC(=O)NC[C@@H]1CCCO1 ZINC000044938114 415233686 /nfs/dbraw/zinc/23/36/86/415233686.db2.gz LEQUHDCAGHSJIG-NSHDSACASA-N 0 0 316.379 0.501 50 0 DCAARN O=C(NCc1cccnc1OCC(F)(F)F)[C@@H]1CCC(=O)N1 ZINC000044934183 415235238 /nfs/dbraw/zinc/23/52/38/415235238.db2.gz QWAGVWGVHBPENI-VIFPVBQESA-N 0 0 317.267 0.918 50 0 DCAARN NC(=O)CN1CCC(NC(=O)N2CCc3sccc3C2)CC1 ZINC000045608354 415250186 /nfs/dbraw/zinc/25/01/86/415250186.db2.gz GQZALHVFTNLCJU-UHFFFAOYSA-N 0 0 322.434 0.766 50 0 DCAARN O=C(CCn1cccn1)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000046050190 415256976 /nfs/dbraw/zinc/25/69/76/415256976.db2.gz YOMVFOJEAGJXQS-CABCVRRESA-N 0 0 322.409 0.127 50 0 DCAARN CC(C)c1nc(CC(=O)NC2CCN(CC(N)=O)CC2)cs1 ZINC000046747253 415259359 /nfs/dbraw/zinc/25/93/59/415259359.db2.gz FKUOVFIMYGRECK-UHFFFAOYSA-N 0 0 324.450 0.875 50 0 DCAARN CN(CC(=O)Nc1ccn(Cc2ccccc2)n1)S(C)(=O)=O ZINC000046796785 415261235 /nfs/dbraw/zinc/26/12/35/415261235.db2.gz FKDLLNJDIYGBFG-UHFFFAOYSA-N 0 0 322.390 0.761 50 0 DCAARN O=C(NCCNc1ncccn1)[C@H]1CC(=O)N(CC2CC2)C1 ZINC000047105043 415267189 /nfs/dbraw/zinc/26/71/89/415267189.db2.gz HKNLWEXNYPKESB-LBPRGKRZSA-N 0 0 303.366 0.263 50 0 DCAARN C[C@H](NC(=O)NCCCNS(C)(=O)=O)c1ccncc1 ZINC000047903380 415279158 /nfs/dbraw/zinc/27/91/58/415279158.db2.gz OEGALLQVRZTHQY-JTQLQIEISA-N 0 0 300.384 0.381 50 0 DCAARN CCOC(=O)CN1CCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000047866640 415279760 /nfs/dbraw/zinc/27/97/60/415279760.db2.gz UAUDHNUBHAVPID-UHFFFAOYSA-N 0 0 321.377 0.943 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc(=O)c2ccccc2o1 ZINC000044457197 415223167 /nfs/dbraw/zinc/22/31/67/415223167.db2.gz ZTKXWAFTVWHCIP-JTQLQIEISA-N 0 0 321.354 0.958 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000044709525 415226353 /nfs/dbraw/zinc/22/63/53/415226353.db2.gz SGOLMBGXUZZXPI-RYUDHWBXSA-N 0 0 321.308 0.324 50 0 DCAARN Cc1cccc2c(=O)n(CC(=O)N3CCC[C@@H](O)C3)cnc12 ZINC000044891402 415228304 /nfs/dbraw/zinc/22/83/04/415228304.db2.gz VIIVWGAOMXTPQU-GFCCVEGCSA-N 0 0 301.346 0.688 50 0 DCAARN CCCN(Cc1ccccc1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000044874961 415229835 /nfs/dbraw/zinc/22/98/35/415229835.db2.gz SFXUWPCICLHPFK-UHFFFAOYSA-N 0 0 301.346 0.975 50 0 DCAARN CNC(=O)Cc1noc(C(=O)NCc2ccc(OC)cc2)n1 ZINC000044901349 415230174 /nfs/dbraw/zinc/23/01/74/415230174.db2.gz JGKNSOJGIIUITO-UHFFFAOYSA-N 0 0 304.306 0.297 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](C)Cc1ccco1 ZINC000044913010 415230405 /nfs/dbraw/zinc/23/04/05/415230405.db2.gz CMXMLPSAUHICLC-VIFPVBQESA-N 0 0 305.334 0.645 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc2ccccc2[nH]c1=O ZINC000044908020 415231312 /nfs/dbraw/zinc/23/13/12/415231312.db2.gz IBCBGVKJNMLZHZ-JTQLQIEISA-N 0 0 320.370 0.693 50 0 DCAARN COCC(=O)NC1CCN(Cn2c3ccccc3oc2=O)CC1 ZINC000048279588 415286117 /nfs/dbraw/zinc/28/61/17/415286117.db2.gz VEHRVHRHUGGOJL-UHFFFAOYSA-N 0 0 319.361 0.779 50 0 DCAARN CCN(C[C@H]1CCOC1)C(=O)Cn1nnc2ccccc2c1=O ZINC000048262612 415287384 /nfs/dbraw/zinc/28/73/84/415287384.db2.gz ZSNUHEZMAPNQQN-GFCCVEGCSA-N 0 0 316.361 0.677 50 0 DCAARN COCC(=O)N(CC(N)=O)Cc1ccc(Br)cc1 ZINC000048940402 415301639 /nfs/dbraw/zinc/30/16/39/415301639.db2.gz HAFKKJULARXQTC-UHFFFAOYSA-N 0 0 315.167 0.909 50 0 DCAARN Cc1ccc(CNC(=O)[C@H](CC(C)C)NS(C)(=O)=O)cn1 ZINC000049201521 415306316 /nfs/dbraw/zinc/30/63/16/415306316.db2.gz OPNNUQLHZWBKCH-ZDUSSCGKSA-N 0 0 313.423 0.970 50 0 DCAARN Cc1c(C(=O)N2CCOCC2)cnn1[C@H]1CCS(=O)(=O)C1 ZINC000049658018 415307422 /nfs/dbraw/zinc/30/74/22/415307422.db2.gz GMEDKZKVGRLKIN-NSHDSACASA-N 0 0 313.379 0.024 50 0 DCAARN CN(CC(=O)Nc1cc(-c2cccs2)[nH]n1)S(C)(=O)=O ZINC000049448993 415309212 /nfs/dbraw/zinc/30/92/12/415309212.db2.gz DLQZZRSLTKMTAY-UHFFFAOYSA-N 0 0 314.392 0.968 50 0 DCAARN NC(=O)CN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1CCCC1 ZINC000052844055 415317265 /nfs/dbraw/zinc/31/72/65/415317265.db2.gz SKTHJXBIQROTIS-LSDHHAIUSA-N 0 0 323.437 0.886 50 0 DCAARN CCS(=O)(=O)NCCNS(=O)(=O)c1cccc(C)c1 ZINC000058306226 415343062 /nfs/dbraw/zinc/34/30/62/415343062.db2.gz VCBLITIROCPTTI-UHFFFAOYSA-N 0 0 306.409 0.213 50 0 DCAARN Cc1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCCC2)n1 ZINC000069482363 415397187 /nfs/dbraw/zinc/39/71/87/415397187.db2.gz YFLKOUZCNLLQBL-UONOGXRCSA-N 0 0 323.418 0.381 50 0 DCAARN O=C([C@H]1COCCO1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000071821279 415410672 /nfs/dbraw/zinc/41/06/72/415410672.db2.gz YHZOAKPEPATMTQ-UONOGXRCSA-N 0 0 304.346 0.492 50 0 DCAARN Cc1nnc2n1C[C@@H](NC(=O)c1cnn(-c3ccccc3)n1)CC2 ZINC000065520145 415358451 /nfs/dbraw/zinc/35/84/51/415358451.db2.gz XXUSIILOIDFMPJ-LBPRGKRZSA-N 0 0 323.360 0.912 50 0 DCAARN COc1ccc(-c2cc3nn(CC(N)=O)c(=O)n3c(C)n2)cc1 ZINC000067239698 415374486 /nfs/dbraw/zinc/37/44/86/415374486.db2.gz GKLUVXBOFYATIH-UHFFFAOYSA-N 0 0 313.317 0.360 50 0 DCAARN Cc1nc(NCCc2n[nH]c(=O)[n-]2)cc(C2CC[NH2+]CC2)n1 ZINC000067677877 415380732 /nfs/dbraw/zinc/38/07/32/415380732.db2.gz CIEAWVCTEVTFRA-UHFFFAOYSA-N 0 0 303.370 0.318 50 0 DCAARN COc1cccc(OCc2cc(C(=O)N[C@H](C)C(N)=O)[nH]n2)c1 ZINC000067694675 415383600 /nfs/dbraw/zinc/38/36/00/415383600.db2.gz MLPRHLVQGSPIKK-SECBINFHSA-N 0 0 318.333 0.601 50 0 DCAARN CCN(Cc1c(CO)cnc(C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000067820121 415383775 /nfs/dbraw/zinc/38/37/75/415383775.db2.gz KVJNZSKOYSLZEF-GFCCVEGCSA-N 0 0 314.407 0.597 50 0 DCAARN Cc1c(CN(C)C(=O)CN2C(=O)NC(=O)C2(C)C)cnn1C ZINC000067788557 415385845 /nfs/dbraw/zinc/38/58/45/415385845.db2.gz ZURPNIJAWTXRIE-UHFFFAOYSA-N 0 0 307.354 0.017 50 0 DCAARN Cn1nc([C@H]2CCC[N@H+](CC(=O)[O-])C2)n(-c2ccccc2)c1=O ZINC000067712747 415386869 /nfs/dbraw/zinc/38/68/69/415386869.db2.gz FZUWELNPGHEAGL-LBPRGKRZSA-N 0 0 316.361 0.835 50 0 DCAARN CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(O)c(C(=O)[O-])c1 ZINC000067895669 415388346 /nfs/dbraw/zinc/38/83/46/415388346.db2.gz SDTJAPKKJAEPLW-PWSUYJOCSA-N 0 0 307.350 0.128 50 0 DCAARN CC(C)N1CCCn2nc(C(=O)N3CCNC(=O)CC3)cc2C1 ZINC000067868399 415388579 /nfs/dbraw/zinc/38/85/79/415388579.db2.gz YVBBJCXNWVDCAY-UHFFFAOYSA-N 0 0 319.409 0.459 50 0 DCAARN Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCc2c1cccc2Cl ZINC000084445494 415495576 /nfs/dbraw/zinc/49/55/76/415495576.db2.gz PKGRZUNFQCQLPW-UHFFFAOYSA-N 0 0 306.709 0.502 50 0 DCAARN Cc1cc(C)c(CNC(=O)N[C@@H](C)CN2CCOCC2)c(=O)[nH]1 ZINC000075111142 415438816 /nfs/dbraw/zinc/43/88/16/415438816.db2.gz KACUZFRWEIBZIT-ZDUSSCGKSA-N 0 0 322.409 0.512 50 0 DCAARN O=C(N[C@@H]1CCCNC1=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000075126149 415439181 /nfs/dbraw/zinc/43/91/81/415439181.db2.gz XIVYPVRQCAVLGJ-LLVKDONJSA-N 0 0 301.302 0.643 50 0 DCAARN COC(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000075158418 415442792 /nfs/dbraw/zinc/44/27/92/415442792.db2.gz FPPPXXSZHHFEES-LBPRGKRZSA-N 0 0 302.330 0.966 50 0 DCAARN CC(C)C[C@H](CNC(=O)C1=NNC(=O)CC1)N1CCOCC1 ZINC000089802486 415521620 /nfs/dbraw/zinc/52/16/20/415521620.db2.gz PGGASKQXWGYJTI-GFCCVEGCSA-N 0 0 310.398 0.116 50 0 DCAARN COC(=O)C[C@H](C(=O)OC)N1CCN(Cc2ccccc2)CC1 ZINC000095186673 415546954 /nfs/dbraw/zinc/54/69/54/415546954.db2.gz RRXNDDWYFLJWDW-OAHLLOKOSA-N 0 0 320.389 0.909 50 0 DCAARN COCc1cc(N2CCC(O)(Cn3ccnc3)CC2)ncn1 ZINC000095351978 415548025 /nfs/dbraw/zinc/54/80/25/415548025.db2.gz WGJXMFIARNWKFN-UHFFFAOYSA-N 0 0 303.366 0.851 50 0 DCAARN COc1cccc2c1OC[C@H](CNC(=O)CN1CCCC1=O)C2 ZINC000095363798 415552641 /nfs/dbraw/zinc/55/26/41/415552641.db2.gz VKMRDYBRPKZWMK-LBPRGKRZSA-N 0 0 318.373 0.985 50 0 DCAARN CCN1C[C@H](C(=O)NCc2nnnn2-c2ccccc2)CC1=O ZINC000095358181 415554975 /nfs/dbraw/zinc/55/49/75/415554975.db2.gz AESADFXOUPKOIA-LLVKDONJSA-N 0 0 314.349 0.147 50 0 DCAARN COCCCNC(=O)CCCN1C(=O)NC2(CCCC2)C1=O ZINC000095377658 415557265 /nfs/dbraw/zinc/55/72/65/415557265.db2.gz BRDXJAIRPVDFRM-UHFFFAOYSA-N 0 0 311.382 0.784 50 0 DCAARN CC(C)CN1CC2(CC1=O)CCN(C(=O)Cn1cnnn1)CC2 ZINC000095383627 415560211 /nfs/dbraw/zinc/56/02/11/415560211.db2.gz WVBYWJRWIABIHV-UHFFFAOYSA-N 0 0 320.397 0.170 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)c2cn(C)nc2SC)CC1 ZINC000095458636 415562047 /nfs/dbraw/zinc/56/20/47/415562047.db2.gz JNAFMDNATJZKAW-LLVKDONJSA-N 0 0 312.439 0.671 50 0 DCAARN CS(=O)(=O)c1ncc(OCC(=O)N2CCCCCC2)cn1 ZINC000095941599 415565718 /nfs/dbraw/zinc/56/57/18/415565718.db2.gz AIVQTXZLDUQMAN-UHFFFAOYSA-N 0 0 313.379 0.662 50 0 DCAARN C[C@H]1CN(C(=O)Cc2cccs2)CCN1S(C)(=O)=O ZINC000095989041 415567227 /nfs/dbraw/zinc/56/72/27/415567227.db2.gz HZRPRLNFMMFSAD-JTQLQIEISA-N 0 0 302.421 0.783 50 0 DCAARN Cc1nc(CN2CCN([C@H]3CCCN(C(C)C)C3=O)CC2)no1 ZINC000095963696 415568109 /nfs/dbraw/zinc/56/81/09/415568109.db2.gz RLXLHQVSUGBTDW-AWEZNQCLSA-N 0 0 321.425 0.895 50 0 DCAARN NS(=O)(=O)N1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000095982425 415568168 /nfs/dbraw/zinc/56/81/68/415568168.db2.gz SIGMLCCDWOMOAX-UHFFFAOYSA-N 0 0 313.354 0.893 50 0 DCAARN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1nccn1C ZINC000095962035 415568733 /nfs/dbraw/zinc/56/87/33/415568733.db2.gz XKWNSEQUVLECET-OAHLLOKOSA-N 0 0 313.361 0.757 50 0 DCAARN Cn1cc(N2CCN(C(=O)[C@H](N)c3ccccc3)CC2=O)cn1 ZINC000095971141 415569393 /nfs/dbraw/zinc/56/93/93/415569393.db2.gz DWYYPJQZZSNIEV-OAHLLOKOSA-N 0 0 313.361 0.295 50 0 DCAARN CCO[C@H](C)C(=O)NCC(CNC(=O)[C@@H](C)OCC)OC ZINC000096010621 415572581 /nfs/dbraw/zinc/57/25/81/415572581.db2.gz MRJCXINXHLDZDA-GHMZBOCLSA-N 0 0 304.387 0.084 50 0 DCAARN COC[C@@H]1C[C@H](OC)CN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000343510644 415621354 /nfs/dbraw/zinc/62/13/54/415621354.db2.gz BXKZESNLZAJCGL-QWRGUYRKSA-N 0 0 317.345 0.799 50 0 DCAARN O=C1[C@@H]2ON3CCOC[C@@H]3[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000106345321 415645560 /nfs/dbraw/zinc/64/55/60/415645560.db2.gz XYHVDHOGTZELOX-GRYCIOLGSA-N 0 0 308.721 0.844 50 0 DCAARN Cn1ncnc1CNC(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000097035153 415582719 /nfs/dbraw/zinc/58/27/19/415582719.db2.gz MJQIIIILHJIVRN-AWEZNQCLSA-N 0 0 315.377 0.968 50 0 DCAARN O=C(CN1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O)N1CCOCC1 ZINC000100509134 415591861 /nfs/dbraw/zinc/59/18/61/415591861.db2.gz PLHCDBTUOCTQFG-WDEREUQCSA-N 0 0 312.753 0.363 50 0 DCAARN CC(=O)N(Cc1ncc(C)o1)[C@H]1CCN([C@H]2CCOC2=O)C1 ZINC000107503486 415667206 /nfs/dbraw/zinc/66/72/06/415667206.db2.gz FOBCNVOUWSVQMH-STQMWFEESA-N 0 0 307.350 0.721 50 0 DCAARN CC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2COc3ccccc3O2)C1=O ZINC000298210788 415996419 /nfs/dbraw/zinc/99/64/19/415996419.db2.gz KXJVUKFNSMIJFM-NHYWBVRUSA-N 0 0 319.317 0.578 50 0 DCAARN CC[C@]1(C)NC(=O)N(NC(=O)COc2ccccc2OC)C1=O ZINC000298217496 415997323 /nfs/dbraw/zinc/99/73/23/415997323.db2.gz OXTYLVSBTWWYBB-HNNXBMFYSA-N 0 0 321.333 0.826 50 0 DCAARN O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1cn[nH]c1 ZINC000299208116 416059060 /nfs/dbraw/zinc/05/90/60/416059060.db2.gz LFZCAAXFADNNLX-JTQLQIEISA-N 0 0 305.290 0.308 50 0 DCAARN Cc1nn(CC(=O)N2CCN(c3nc[nH]n3)CC2)cc1Cl ZINC000299762421 416064924 /nfs/dbraw/zinc/06/49/24/416064924.db2.gz WBLLYZIBNHLGAQ-UHFFFAOYSA-N 0 0 309.761 0.312 50 0 DCAARN CS(=O)(=O)N1CCn2nc(CNc3ncccn3)cc2C1 ZINC000299772259 416066311 /nfs/dbraw/zinc/06/63/11/416066311.db2.gz UIIBEISBNVHLPN-UHFFFAOYSA-N 0 0 308.367 0.060 50 0 DCAARN O=C(N[C@H]1CCCN(C(=O)C2CC2)C1)C(=O)c1cccnc1 ZINC000299772919 416066367 /nfs/dbraw/zinc/06/63/67/416066367.db2.gz BGAVNIKJEBVUBI-ZDUSSCGKSA-N 0 0 301.346 0.782 50 0 DCAARN CCCn1cc(NC(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)nn1 ZINC000299771431 416066493 /nfs/dbraw/zinc/06/64/93/416066493.db2.gz WVSDIGHLZUXUDQ-ZDUSSCGKSA-N 0 0 308.342 0.747 50 0 DCAARN COCCN1C[C@H](CNC(=O)c2ccc(C)c(O)c2)CC1=O ZINC000299782567 416066722 /nfs/dbraw/zinc/06/67/22/416066722.db2.gz SVQMTJVTISXQNV-LBPRGKRZSA-N 0 0 306.362 0.925 50 0 DCAARN CC(C)Cc1cc(C(=O)N2CCN(c3nc[nH]n3)CC2)n(C)n1 ZINC000299775681 416066758 /nfs/dbraw/zinc/06/67/58/416066758.db2.gz GXRMSTVCTCCMOB-UHFFFAOYSA-N 0 0 317.397 0.699 50 0 DCAARN CCNC(=O)[C@H]1CC[C@@](C)(C(=O)NCCn2cnnn2)C1(C)C ZINC000299778165 416066775 /nfs/dbraw/zinc/06/67/75/416066775.db2.gz MCVRRTJOYUKPMQ-ABAIWWIYSA-N 0 0 322.413 0.368 50 0 DCAARN Cc1nn[nH]c1C(=O)NCC[C@H]1CCCCN1S(C)(=O)=O ZINC000299783389 416066790 /nfs/dbraw/zinc/06/67/90/416066790.db2.gz YVTYRLKMIWOVMM-SNVBAGLBSA-N 0 0 315.399 0.047 50 0 DCAARN CC(=O)N1CCC([N@@H+]2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)CC1 ZINC000299778192 416066806 /nfs/dbraw/zinc/06/68/06/416066806.db2.gz QBKMJRYLMGIKKE-WCQYABFASA-N 0 0 321.381 0.306 50 0 DCAARN CCc1n[nH]cc1C(=O)NC1CCN(CC(=O)NC2CC2)CC1 ZINC000299777008 416067866 /nfs/dbraw/zinc/06/78/66/416067866.db2.gz GSPJRDBJUPKWAV-UHFFFAOYSA-N 0 0 319.409 0.445 50 0 DCAARN CCCn1cc(NC(=O)NCCSc2nnnn2C)nn1 ZINC000299793866 416069680 /nfs/dbraw/zinc/06/96/80/416069680.db2.gz HKWFUWLSTHTZQR-UHFFFAOYSA-N 0 0 311.375 0.125 50 0 DCAARN Cc1ccc(S(N)(=O)=O)cc1NC(=O)NC[C@@H]1CCOC1 ZINC000299801616 416070778 /nfs/dbraw/zinc/07/07/78/416070778.db2.gz XOJCZUAZTKNKJR-JTQLQIEISA-N 0 0 313.379 0.800 50 0 DCAARN CC(C)(C)c1csc(CNC(=O)CCNS(C)(=O)=O)n1 ZINC000171579380 416040151 /nfs/dbraw/zinc/04/01/51/416040151.db2.gz HHADZLZEZVPDRI-UHFFFAOYSA-N 0 0 319.452 0.996 50 0 DCAARN O=C(c1cn[nH]n1)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000194158652 416322174 /nfs/dbraw/zinc/32/21/74/416322174.db2.gz YMBPHSGRVITMCN-UHFFFAOYSA-N 0 0 317.324 0.932 50 0 DCAARN Cc1cc(C(=O)NC2CCN(c3cc(=O)nc(N)[nH]3)CC2)no1 ZINC000253537282 416334702 /nfs/dbraw/zinc/33/47/02/416334702.db2.gz JMPPFJBAAORMJE-UHFFFAOYSA-N 0 0 318.337 0.460 50 0 DCAARN C[C@]12CCCN1C(=O)N([C@@H]1CCN(CC(F)(F)F)C1=O)C2=O ZINC000253420078 416334765 /nfs/dbraw/zinc/33/47/65/416334765.db2.gz DCEMTGLOPJIZEK-PRHODGIISA-N 0 0 319.283 0.966 50 0 DCAARN COC(=O)c1cn(CCNc2ncccn2)cc2c(=O)[nH]nc1-2 ZINC000263588488 416338274 /nfs/dbraw/zinc/33/82/74/416338274.db2.gz UTGFONUDKXQCKB-UHFFFAOYSA-N 0 0 314.305 0.365 50 0 DCAARN CO[C@H](C)CS(=O)(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000195111299 416325032 /nfs/dbraw/zinc/32/50/32/416325032.db2.gz URKZKPDSDNKIHV-NEPJUHHUSA-N 0 0 314.411 0.400 50 0 DCAARN O=C(c1nc2cc(F)ccc2[nH]1)N1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000215413117 416326992 /nfs/dbraw/zinc/32/69/92/416326992.db2.gz UNPPJAVZPADTFA-LPQAMYBRSA-N 0 0 319.336 0.906 50 0 DCAARN O=C(CN1CCOC1=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000243885760 416330259 /nfs/dbraw/zinc/33/02/59/416330259.db2.gz ACAABDXHGLNFFN-MJVIPROJSA-N 0 0 305.334 0.462 50 0 DCAARN C[C@@H](C(=O)NCc1ccccc1)N(CCO)Cc1nccn1C ZINC000244605525 416330296 /nfs/dbraw/zinc/33/02/96/416330296.db2.gz FADFWDQOAQLOJK-AWEZNQCLSA-N 0 0 316.405 0.919 50 0 DCAARN CC(C)Cn1ncnc1CN1C(=O)N[C@]2(CCSC2)C1=O ZINC000241969565 416330307 /nfs/dbraw/zinc/33/03/07/416330307.db2.gz UXNFARADMGHKSL-ZDUSSCGKSA-N 0 0 309.395 0.862 50 0 DCAARN COCCc1noc(CN2CCC(c3nncn3C)CC2)n1 ZINC000244626662 416330371 /nfs/dbraw/zinc/33/03/71/416330371.db2.gz FQDARLLLMCFPME-UHFFFAOYSA-N 0 0 306.370 0.767 50 0 DCAARN O=C(NCC[C@H]1CCOC1)c1cnn2cc(CCO)cnc12 ZINC000244723912 416330918 /nfs/dbraw/zinc/33/09/18/416330918.db2.gz MJWKVPRAFNUHDF-NSHDSACASA-N 0 0 304.350 0.421 50 0 DCAARN Cc1cccn2c(CNC(=O)CCNS(C)(=O)=O)cnc12 ZINC000244773974 416331032 /nfs/dbraw/zinc/33/10/32/416331032.db2.gz PJTIDXJJVSOFRZ-UHFFFAOYSA-N 0 0 310.379 0.198 50 0 DCAARN Cc1c(CNC(=O)[C@H]2COc3ccc(O)cc3O2)cnn1C ZINC000585131786 416519917 /nfs/dbraw/zinc/51/99/17/416519917.db2.gz GEYROHVEWFFMTN-CQSZACIVSA-N 0 0 303.318 0.890 50 0 DCAARN COc1cncc(N2CCN(C(=O)c3ccn(C)n3)CC2)c1 ZINC000585129015 416519971 /nfs/dbraw/zinc/51/99/71/416519971.db2.gz UYRRYDXNJXCGIA-UHFFFAOYSA-N 0 0 301.350 0.786 50 0 DCAARN COCc1nc(NCCc2c[nH]cn2)cc([C@H]2CCOC2)n1 ZINC000426534093 416776085 /nfs/dbraw/zinc/77/60/85/416776085.db2.gz RWWYZVLZHZILLZ-NSHDSACASA-N 0 0 303.366 1.505 50 0 DCAARN Cc1cc(C(=O)NCCOCCN2C(=O)CCC2=O)c(C)o1 ZINC000575606033 417538761 /nfs/dbraw/zinc/53/87/61/417538761.db2.gz JGFBDARBZJDSKT-UHFFFAOYSA-N 0 0 308.334 0.792 50 0 DCAARN CCCS(=O)(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(N)=O ZINC000575552781 417539415 /nfs/dbraw/zinc/53/94/15/417539415.db2.gz QDBIXMXCGAPZMD-STQMWFEESA-N 0 0 312.391 0.733 50 0 DCAARN COCCNC(=O)C1(F)CCN(C(=O)c2cnn(C)c2)CC1 ZINC000575556242 417539809 /nfs/dbraw/zinc/53/98/09/417539809.db2.gz ONPBWYDDYTZTTG-UHFFFAOYSA-N 0 0 312.345 0.127 50 0 DCAARN CN(C)c1nc(CNC(=O)C2CCOCC2)nc(N(C)C)n1 ZINC000575603361 417540375 /nfs/dbraw/zinc/54/03/75/417540375.db2.gz FIZYTMVJVOJYQL-UHFFFAOYSA-N 0 0 308.386 0.046 50 0 DCAARN COc1nc(CNC(=O)c2ccc3c(c2)OCO3)nc(OC)n1 ZINC000575608628 417541895 /nfs/dbraw/zinc/54/18/95/417541895.db2.gz WARXPKRBADYUQU-UHFFFAOYSA-N 0 0 318.289 0.548 50 0 DCAARN C[C@@H]1OCCN(C(=O)CCN2C(=O)CCC2=O)[C@@H]1C(F)(F)F ZINC000622985015 417522491 /nfs/dbraw/zinc/52/24/91/417522491.db2.gz GNOOMSMUPOVOAE-UFBFGSQYSA-N 0 0 322.283 0.704 50 0 DCAARN O=C(CN1C(=O)CNC1=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000299794091 229452709 /nfs/dbraw/zinc/45/27/09/229452709.db2.gz JCQGRCLJXGIISM-GFCCVEGCSA-N 0 0 303.318 0.218 50 0 DCAARN CC1(C)C(=O)NC(=O)N1CC(=O)N1CCCC2(CCOCC2)C1 ZINC000376225030 262159390 /nfs/dbraw/zinc/15/93/90/262159390.db2.gz DFYXWBYSEHWMHR-UHFFFAOYSA-N 0 0 323.393 0.736 50 0 DCAARN COc1cccc(N2CCn3c2nc2c3c(=O)[nH]c(=O)n2C)c1 ZINC000012647722 278017208 /nfs/dbraw/zinc/01/72/08/278017208.db2.gz KYVKORMAMKUTSB-UHFFFAOYSA-N 0 0 313.317 0.584 50 0 DCAARN CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1ccccc1F ZINC000004917148 278176110 /nfs/dbraw/zinc/17/61/10/278176110.db2.gz CSPZLAAMNPPMJO-GFCCVEGCSA-N 0 0 316.354 0.704 50 0 DCAARN CC1(C)O[C@@H]2[C@H](CO)O[C@@H](n3cnc4c3nc[nH]c4=S)[C@H]2O1 ZINC000101133081 278417993 /nfs/dbraw/zinc/41/79/93/278417993.db2.gz HXZCOKXEDYVENB-UKHPNBTGSA-N 0 0 324.362 0.525 50 0 DCAARN Cc1cc2n(n1)CCCN(C(=O)[C@@H]1NCCc3nc[nH]c31)C2 ZINC000072425389 278762493 /nfs/dbraw/zinc/76/24/93/278762493.db2.gz LGSRFMVSVKAYBQ-CQSZACIVSA-N 0 0 300.366 0.534 50 0 DCAARN CC(C)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCc2nnnn2CC1 ZINC000328598737 279013454 /nfs/dbraw/zinc/01/34/54/279013454.db2.gz OGQMAGUNHWZBLV-NWDGAFQWSA-N 0 0 320.397 0.839 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CCC2(CC1)N=C(C)NC2=O ZINC000299778614 279247843 /nfs/dbraw/zinc/24/78/43/279247843.db2.gz MXVPGNVQICAXNU-UHFFFAOYSA-N 0 0 304.350 0.743 50 0 DCAARN O=C1NC[C@H]2CN(C/C=C/c3ccc(F)cc3)CCN2C1=O ZINC000091866604 280294991 /nfs/dbraw/zinc/29/49/91/280294991.db2.gz OGIVKALTSATZGT-YUKKFKLSSA-N 0 0 303.337 0.482 50 0 DCAARN COCCn1ccnc1CN1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000215725327 292739359 /nfs/dbraw/zinc/73/93/59/292739359.db2.gz NHUURRIFBGPCBG-UHFFFAOYSA-N 0 0 317.393 0.816 50 0 DCAARN COc1ccc(CN(CC(N)=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027648968 295125545 /nfs/dbraw/zinc/12/55/45/295125545.db2.gz NISYEPFFMGZQCT-LBPRGKRZSA-N 0 0 312.391 0.170 50 0 DCAARN CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000092046083 295524327 /nfs/dbraw/zinc/52/43/27/295524327.db2.gz IFNZZKPHRJMBCW-GXSJLCMTSA-N 0 0 315.420 0.526 50 0 DCAARN CSC1=N[C@@H]2[C@H](C(C)=O)C(=O)N(c3ccccc3)[C@@H]2NN1 ZINC000006357024 295583514 /nfs/dbraw/zinc/58/35/14/295583514.db2.gz DQZQSFIODUGNKW-TUAOUCFPSA-N 0 0 304.375 0.760 50 0 DCAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NC3CC3)[C@H]4C2=O)no1 ZINC000009134520 301343756 /nfs/dbraw/zinc/34/37/56/301343756.db2.gz QNXVVHRREVQGSO-YGSHXTJESA-N 0 0 315.329 0.548 50 0 DCAARN Cc1cc(NC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)no1 ZINC000040490221 301353860 /nfs/dbraw/zinc/35/38/60/301353860.db2.gz AYAYZHWFEUAKPJ-CHWSQXEVSA-N 0 0 324.381 0.842 50 0 DCAARN Cc1ccc(N([C@@H]2CCS(=O)(=O)C2)S(C)(=O)=O)cc1 ZINC000004078932 301621113 /nfs/dbraw/zinc/62/11/13/301621113.db2.gz IAOLTLJQNKWZCD-GFCCVEGCSA-N 0 0 303.405 0.948 50 0 DCAARN Cc1nn(S(C)(=O)=O)c(C)c1S(=O)(=O)N1CCCC1 ZINC000008755165 302806127 /nfs/dbraw/zinc/80/61/27/302806127.db2.gz ZVVUTASFIAHWPC-UHFFFAOYSA-N 0 0 307.397 0.092 50 0 DCAARN NC(=O)CN(C(=O)c1cnc2sccn2c1=O)C1CCCC1 ZINC000065548580 303248354 /nfs/dbraw/zinc/24/83/54/303248354.db2.gz VDQKQBBOQPREQN-UHFFFAOYSA-N 0 0 320.374 0.626 50 0 DCAARN C[C@H](CNS(=O)(=O)c1ncn(C)c1Cl)N1CCOCC1 ZINC000030338092 331619663 /nfs/dbraw/zinc/61/96/63/331619663.db2.gz YPYCTBBPVAVXIC-SECBINFHSA-N 0 0 322.818 0.073 50 0 DCAARN CN(C[C@H](O)CO)C(=O)c1ccc(-c2ccc(O)cn2)cc1 ZINC000534576220 334287975 /nfs/dbraw/zinc/28/79/75/334287975.db2.gz PNTBGUYEUATNDI-AWEZNQCLSA-N 0 0 302.330 0.879 50 0 DCAARN CC(C)Cc1noc([C@@H](C)NC(=O)N2CCNC(=O)CC2)n1 ZINC000534579701 334288932 /nfs/dbraw/zinc/28/89/32/334288932.db2.gz NSCHJJNMYARGJC-SNVBAGLBSA-N 0 0 309.370 0.861 50 0 DCAARN NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000534593322 334294844 /nfs/dbraw/zinc/29/48/44/334294844.db2.gz DGFCLSSBGMUSOJ-CHWSQXEVSA-N 0 0 312.333 0.212 50 0 DCAARN CN1CCN([C@H]2COC[C@@H]2NC(=O)Cc2cccs2)CC1 ZINC000534634930 334309175 /nfs/dbraw/zinc/30/91/75/334309175.db2.gz NQOALIOGIZGYKS-KBPBESRZSA-N 0 0 309.435 0.422 50 0 DCAARN O=C(NCCn1ccnn1)c1ccc(CSc2nc[nH]n2)o1 ZINC000534652996 334312990 /nfs/dbraw/zinc/31/29/90/334312990.db2.gz KDAOOAXZPLHLHL-UHFFFAOYSA-N 0 0 319.350 0.712 50 0 DCAARN Cc1cc(COC(=O)C2CCN(S(C)(=O)=O)CC2)no1 ZINC000056900973 337363411 /nfs/dbraw/zinc/36/34/11/337363411.db2.gz ZRRLRWCZQPIZMG-UHFFFAOYSA-N 0 0 302.352 0.698 50 0 DCAARN Cc1cc([C@@H]2CCCN(C(=O)CCNS(C)(=O)=O)C2)[nH]n1 ZINC000084110428 337375796 /nfs/dbraw/zinc/37/57/96/337375796.db2.gz BGEDFIYMMCDUOK-LLVKDONJSA-N 0 0 314.411 0.363 50 0 DCAARN COCCOc1ccc(CNC(=O)[C@@H]2CCCN2C(N)=O)cc1 ZINC000266979440 524044429 /nfs/dbraw/zinc/04/44/29/524044429.db2.gz FJWKYNMESOBKIU-AWEZNQCLSA-N 0 0 321.377 0.871 50 0 DCAARN O=C(CN1CCN(C(=O)c2cncc(F)c2)CC1)N1CCCC1 ZINC000164457979 526765813 /nfs/dbraw/zinc/76/58/13/526765813.db2.gz YDIUTUZTTWELDA-UHFFFAOYSA-N 0 0 320.368 0.601 50 0 DCAARN COc1cc(N2CCN(C(=O)c3cnccn3)CC2)nc(C)n1 ZINC000048985277 536830262 /nfs/dbraw/zinc/83/02/62/536830262.db2.gz GPEYXJKDFFSDSZ-UHFFFAOYSA-N 0 0 314.349 0.546 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)c3ccn(C)c(=O)c3)CCO2)[nH]1 ZINC000083830023 545698473 /nfs/dbraw/zinc/69/84/73/545698473.db2.gz QSQZIAPRQRKFBQ-LLVKDONJSA-N 0 0 317.349 0.280 50 0 DCAARN CC(C)(C)C1CCN(S(=O)(=O)NCC2(CO)COC2)CC1 ZINC000092015564 545720690 /nfs/dbraw/zinc/72/06/90/545720690.db2.gz IINDILLBSZQLCY-UHFFFAOYSA-N 0 0 320.455 0.588 50 0 DCAARN Cc1cc(O[C@@H]2CCN(C(=O)N3CCNC3=O)C2)cc(=O)o1 ZINC000206967164 545936776 /nfs/dbraw/zinc/93/67/76/545936776.db2.gz BOARLVITZGPOQX-SNVBAGLBSA-N 0 0 307.306 0.547 50 0 DCAARN CNC(=O)[C@H]1CCC[C@@H]1Nc1ccccc1S(=O)(=O)NC ZINC000585092677 546303278 /nfs/dbraw/zinc/30/32/78/546303278.db2.gz IZEBBWLTONOGHB-QWRGUYRKSA-N 0 0 311.407 0.921 50 0 DCAARN Cc1nc2cc(CNC(=O)CCCS(N)(=O)=O)ccc2n1C ZINC000670435467 547088060 /nfs/dbraw/zinc/08/80/60/547088060.db2.gz ODSJKOYRBMJTCT-UHFFFAOYSA-N 0 0 324.406 0.567 50 0 DCAARN CN1C(=O)[C@H]2CN(Cc3nc(C(F)(F)F)no3)C[C@H]2C1=O ZINC000670435725 547088606 /nfs/dbraw/zinc/08/86/06/547088606.db2.gz YBXGGWUGXVFCPB-OLQVQODUSA-N 0 0 304.228 0.135 50 0 DCAARN Cn1cnc2cc(C(=O)NCc3csc(N)n3)ccc2c1=O ZINC000670442272 547092279 /nfs/dbraw/zinc/09/22/79/547092279.db2.gz GLYGTPJLFMXGFE-UHFFFAOYSA-N 0 0 315.358 0.902 50 0 DCAARN Cc1cc(C)n(CCN(C)S(=O)(=O)N2CCOCC2)n1 ZINC000670467185 547099907 /nfs/dbraw/zinc/09/99/07/547099907.db2.gz XNZBCMXBDGEWGH-UHFFFAOYSA-N 0 0 302.400 0.009 50 0 DCAARN COc1cc(N2CCN(Cc3nccc(N)n3)CC2)ncn1 ZINC000184078276 659210518 /nfs/dbraw/zinc/21/05/18/659210518.db2.gz PCEYPVVHTIDYNJ-UHFFFAOYSA-N 0 0 301.354 0.180 50 0 DCAARN NC(=O)CN1CCN(C(=O)[C@@H]2CCCc3cccnc32)CC1 ZINC000195459348 659547147 /nfs/dbraw/zinc/54/71/47/659547147.db2.gz FFFIONDHIRWSKG-CYBMUJFWSA-N 0 0 302.378 0.131 50 0 DCAARN COCc1cn(CC2CCN(C(=O)c3cn[nH]c3)CC2)nn1 ZINC000020878233 659689559 /nfs/dbraw/zinc/68/95/59/659689559.db2.gz SWHDMQHECGTQLR-UHFFFAOYSA-N 0 0 304.354 0.700 50 0 DCAARN Cc1nc(CN2CCN(C(=O)NCCn3ccnc3)CC2)no1 ZINC000426667643 661688441 /nfs/dbraw/zinc/68/84/41/661688441.db2.gz UDVJBOOAEJFQIY-UHFFFAOYSA-N 0 0 319.369 0.102 50 0 DCAARN C[C@@H]1C(=O)N2CCC[C@@H]2CN1S(=O)(=O)C1CCOCC1 ZINC001772712524 1157848931 /nfs/dbraw/zinc/84/89/31/1157848931.db2.gz RFMKAEICXCXGFJ-GHMZBOCLSA-N 0 0 302.396 0.190 50 0 DCAARN Cn1ncc(CNC(=O)NC[C@@H]2Cc3ccccc3CO2)n1 ZINC000858456081 671006077 /nfs/dbraw/zinc/00/60/77/671006077.db2.gz AVKXKDWYBFYGOR-AWEZNQCLSA-N 0 0 301.350 0.756 50 0 DCAARN COCCNC(=O)c1cccc(NC(=O)CCNC(C)=O)c1C ZINC000952964136 685598074 /nfs/dbraw/zinc/59/80/74/685598074.db2.gz MJXGVSICNUOPEN-UHFFFAOYSA-N 0 0 321.377 0.836 50 0 DCAARN CN(C(=O)[C@@H]1CCCCCN1C)C1CCS(=O)(=O)CC1 ZINC000952967759 685598641 /nfs/dbraw/zinc/59/86/41/685598641.db2.gz LWNBDHOJKKDLAB-ZDUSSCGKSA-N 0 0 302.440 0.896 50 0 DCAARN Cc1nnnn1-c1cccc(NC(=O)[C@H](C)Cn2cncn2)c1 ZINC000952968781 685599324 /nfs/dbraw/zinc/59/93/24/685599324.db2.gz PMIZSEYIEGKGBV-SNVBAGLBSA-N 0 0 312.337 0.837 50 0 DCAARN CS(=O)(=O)N1CCC(CNC(=O)C2CCOCC2)CC1 ZINC000952973103 685600013 /nfs/dbraw/zinc/60/00/13/685600013.db2.gz RHXZHOJWVGUABR-UHFFFAOYSA-N 0 0 304.412 0.201 50 0 DCAARN C[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccccc3Cl)CCN2C1=O ZINC000014746370 685048991 /nfs/dbraw/zinc/04/89/91/685048991.db2.gz XNQGTEBKPBNRAX-JOYOIKCWSA-N 0 0 321.764 0.511 50 0 DCAARN CN(C)S(=O)(=O)NCc1nc(-c2ccccc2F)no1 ZINC000041152188 685057984 /nfs/dbraw/zinc/05/79/84/685057984.db2.gz DSMQCRNHUMVHCY-UHFFFAOYSA-N 0 0 300.315 0.772 50 0 DCAARN O=C([O-])[C@]12C[NH2+]C[C@H]1CN(C(=O)C1(c3ccccc3)CC1)C2 ZINC000065529713 685064320 /nfs/dbraw/zinc/06/43/20/685064320.db2.gz PQOZSFGHSFJJFR-GUYCJALGSA-N 0 0 300.358 0.851 50 0 DCAARN C[C@@H](CC1=CCCN(CC(N)=O)C1)NC(=O)c1cccnc1 ZINC000067654199 685069339 /nfs/dbraw/zinc/06/93/39/685069339.db2.gz ZKKYGJBXTZEEBV-LBPRGKRZSA-N 0 0 302.378 0.707 50 0 DCAARN CCCn1ncc(C(=O)N2CC[NH2+]C[C@H](CC(=O)[O-])C2)c1C ZINC000071415530 685073440 /nfs/dbraw/zinc/07/34/40/685073440.db2.gz LTGVOFYXSKBRIX-LBPRGKRZSA-N 0 0 308.382 0.738 50 0 DCAARN NC(=O)Cc1nc(-c2cc(C3CC3)no2)n([C@@H]2CCOC2)n1 ZINC001772702263 1157841348 /nfs/dbraw/zinc/84/13/48/1157841348.db2.gz CIZJDWKJMPKRTF-SECBINFHSA-N 0 0 303.322 0.800 50 0 DCAARN CCc1cnc(N)nc1N1CCC(C(=O)N[C@H](C)COC)CC1 ZINC001772706229 1157845304 /nfs/dbraw/zinc/84/53/04/1157845304.db2.gz IHRQECKYQKRBSQ-LLVKDONJSA-N 0 0 321.425 0.989 50 0 DCAARN COCCN1C[C@@]2(CCCN(c3nc(C)nn3C)C2)CCC1=O ZINC001704299111 1179965269 /nfs/dbraw/zinc/96/52/69/1179965269.db2.gz OIPIWYGVHBOGPV-MRXNPFEDSA-N 0 0 321.425 0.979 50 0 DCAARN CC(=O)NCC(=O)N1CCC[C@]2(CCc3cnc(C)nc32)C1 ZINC001704305983 1179968001 /nfs/dbraw/zinc/96/80/01/1179968001.db2.gz YPGDGTOROCPFPE-INIZCTEOSA-N 0 0 302.378 0.728 50 0 DCAARN Cc1c(C(=O)N2C[C@H]3COC[C@@H]2C[N@H+](CC(=O)[O-])C3)ccn1C ZINC001704311089 1179969253 /nfs/dbraw/zinc/96/92/53/1179969253.db2.gz XRYLVMDYPNMSRJ-STQMWFEESA-N 0 0 321.377 0.191 50 0 DCAARN CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1Nc1ncc(Cl)cn1 ZINC001704316140 1179971302 /nfs/dbraw/zinc/97/13/02/1179971302.db2.gz WTTWBIVQIVULFD-WPRPVWTQSA-N 0 0 320.802 0.448 50 0 DCAARN CCCn1nc(C)c(NC(=O)CN2C(=O)CN(C)C2=O)c1C ZINC001704351583 1179982717 /nfs/dbraw/zinc/98/27/17/1179982717.db2.gz PJFPTJDWWDFAQV-UHFFFAOYSA-N 0 0 307.354 0.742 50 0 DCAARN CN(CC(=O)NC[C@@H]1CCCO1)Cc1ccc2nonc2c1 ZINC001704354669 1179983018 /nfs/dbraw/zinc/98/30/18/1179983018.db2.gz KAZUACBSVVLTJG-LBPRGKRZSA-N 0 0 304.350 0.950 50 0 DCAARN CCN(CCn1cccn1)CC(=O)Nc1ccc(C(N)=O)cc1 ZINC001704355039 1179983048 /nfs/dbraw/zinc/98/30/48/1179983048.db2.gz KTCVWUCIPTVXFM-UHFFFAOYSA-N 0 0 315.377 0.943 50 0 DCAARN Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCC(=O)N(C)C2)cc1 ZINC001704353117 1179983518 /nfs/dbraw/zinc/98/35/18/1179983518.db2.gz RRTVGQJZLGFVEM-AWEZNQCLSA-N 0 0 317.389 0.852 50 0 DCAARN COCCNC(=O)CC1=C2CCCC[C@@H]2N(CCOC)C1=O ZINC000581793249 747690155 /nfs/dbraw/zinc/69/01/55/747690155.db2.gz SOCMFASQGAGGSA-AWEZNQCLSA-N 0 0 310.394 0.867 50 0 DCAARN O=C(NCCc1ccccc1)N1CC(n2cc(CO)nn2)C1 ZINC000675017925 748026750 /nfs/dbraw/zinc/02/67/50/748026750.db2.gz JOGBIOHYLNFJJL-UHFFFAOYSA-N 0 0 301.350 0.579 50 0 DCAARN CC(C)c1noc([C@@H](C)NS(=O)(=O)N2CCOCC2)n1 ZINC000822285221 758190015 /nfs/dbraw/zinc/19/00/15/758190015.db2.gz WJZQAHARYSZYLI-SECBINFHSA-N 0 0 304.372 0.421 50 0 DCAARN CCn1nc(C)c([C@H](C)NC(=O)CCCS(N)(=O)=O)c1C ZINC000823593368 758252692 /nfs/dbraw/zinc/25/26/92/758252692.db2.gz JURDZHCQRFAOEP-VIFPVBQESA-N 0 0 316.427 0.766 50 0 DCAARN COCCCCN1CCN(C(=O)Cn2ccc(=O)cc2)CC1 ZINC000824388969 758768866 /nfs/dbraw/zinc/76/88/66/758768866.db2.gz UNOUUTLXYWVZON-UHFFFAOYSA-N 0 0 307.394 0.419 50 0 DCAARN COCCn1cnnc1CNC(=O)CCc1scnc1C ZINC000824464075 758774894 /nfs/dbraw/zinc/77/48/94/758774894.db2.gz WGCYPAIHOHQADH-UHFFFAOYSA-N 0 0 309.395 0.938 50 0 DCAARN Cc1ccc(NC(=O)CCNC(=O)CCn2cnnn2)c(C)c1 ZINC000828055617 758919089 /nfs/dbraw/zinc/91/90/89/758919089.db2.gz CEURQOSWDZOJDZ-UHFFFAOYSA-N 0 0 316.365 0.825 50 0 DCAARN O=C1CNC(=O)[C@@H]2C[C@@H](Nc3nc4ccccc4s3)CN12 ZINC000828302504 758976383 /nfs/dbraw/zinc/97/63/83/758976383.db2.gz OMDLEPADSOTXFS-SCZZXKLOSA-N 0 0 302.359 0.808 50 0 DCAARN Cc1cc(C(=O)N2CC[C@@H](CC(=O)N3CCOCC3)C2)nn1C ZINC000575198512 759422475 /nfs/dbraw/zinc/42/24/75/759422475.db2.gz QLIBGOOGFWQTDQ-ZDUSSCGKSA-N 0 0 320.393 0.440 50 0 DCAARN CCN1C(=O)[C@H]2CC3(CN2C1=O)CCN(C(=O)CCOC)CC3 ZINC000581803668 760253495 /nfs/dbraw/zinc/25/34/95/760253495.db2.gz QKBSLGLFGQKHRE-GFCCVEGCSA-N 0 0 323.393 0.688 50 0 DCAARN CCOCc1nc([C@H]2CCCN2C(=O)COCCOC)no1 ZINC000581795793 760253989 /nfs/dbraw/zinc/25/39/89/760253989.db2.gz USICAEULQLICKJ-LLVKDONJSA-N 0 0 313.354 0.933 50 0 DCAARN CCCS(=O)(=O)N1CC(n2cnnc2[C@@H]2CCCO2)C1 ZINC000581815163 760256185 /nfs/dbraw/zinc/25/61/85/760256185.db2.gz VLGSMDPETJCWSS-NSHDSACASA-N 0 0 300.384 0.726 50 0 DCAARN CCCNC(=O)NC(=O)COC(=O)c1cnn2ncccc12 ZINC000584908619 766238144 /nfs/dbraw/zinc/23/81/44/766238144.db2.gz MFFRIXSYNGEXTR-UHFFFAOYSA-N 0 0 305.294 0.122 50 0 DCAARN CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[C@@](C)(O)C2)cc1 ZINC000219577118 766271124 /nfs/dbraw/zinc/27/11/24/766271124.db2.gz JBHINZFZYYLYEO-YGRLFVJLSA-N 0 0 312.391 0.438 50 0 DCAARN NC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)cc1 ZINC000585087579 766274267 /nfs/dbraw/zinc/27/42/67/766274267.db2.gz NQFNFBRGCBTRKN-UPJWGTAASA-N 0 0 300.318 0.086 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)NCc1cc2n(n1)CCC2 ZINC000585115239 766284066 /nfs/dbraw/zinc/28/40/66/766284066.db2.gz SBLOXWLAASZNQQ-UHFFFAOYSA-N 0 0 309.395 0.658 50 0 DCAARN C[C@@H]1CO[C@](NC(=O)COC[C@H]2CCCO2)(C(F)(F)F)O1 ZINC000585124935 766288455 /nfs/dbraw/zinc/28/84/55/766288455.db2.gz ANHUEPWMJVTWHU-KBVBSXBZSA-N 0 0 313.272 0.950 50 0 DCAARN COC(=O)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H]1C(F)(F)F ZINC000585127979 766290372 /nfs/dbraw/zinc/29/03/72/766290372.db2.gz OGQKKKUVDHHNDO-BDAKNGLRSA-N 0 0 310.272 0.608 50 0 DCAARN C[C@H]1Cc2cc(S(=O)(=O)Nc3cc(=O)n(C)cn3)ccc2O1 ZINC000585129242 766290900 /nfs/dbraw/zinc/29/09/00/766290900.db2.gz CKYYHMKAQQBEOS-VIFPVBQESA-N 0 0 321.358 0.905 50 0 DCAARN COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N(C)C)cc1OC ZINC001529100691 1014494218 /nfs/dbraw/zinc/49/42/18/1014494218.db2.gz WDOVELVBGXZQII-KGLIPLIRSA-N 0 0 308.334 0.348 50 0 DCAARN COC1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)CC1 ZINC001529120859 1014499822 /nfs/dbraw/zinc/49/98/22/1014499822.db2.gz PTZQSAYHULQDIX-CABCVRRESA-N 0 0 319.361 0.275 50 0 DCAARN CCCCn1ncc(C)c1NC(=O)c1cc(=O)n(C)c(=O)n1C ZINC001529145782 1014504197 /nfs/dbraw/zinc/50/41/97/1014504197.db2.gz MQOMSTFOGNCGIG-UHFFFAOYSA-N 0 0 319.365 0.641 50 0 DCAARN CNC(=O)c1cccnc1NCCc1nncn1CCOC ZINC001529151124 1014506129 /nfs/dbraw/zinc/50/61/29/1014506129.db2.gz FICLOSAYIXOVFB-UHFFFAOYSA-N 0 0 304.354 0.334 50 0 DCAARN CCc1nn(C)c(NC(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)c1C ZINC001506420448 1017266986 /nfs/dbraw/zinc/26/69/86/1017266986.db2.gz HPPPOYOZFHCYOT-SNVBAGLBSA-N 0 0 307.354 0.512 50 0 DCAARN O=C(CCn1cnnc1)N1CCCN(C(=O)c2ccco2)CC1 ZINC001506420849 1017267074 /nfs/dbraw/zinc/26/70/74/1017267074.db2.gz LDWKODKSUBLSGG-UHFFFAOYSA-N 0 0 317.349 0.636 50 0 DCAARN CC(C)CCNC(=O)[C@@H]1CCCN(c2ccc3nnnn3n2)C1 ZINC000095478781 185373713 /nfs/dbraw/zinc/37/37/13/185373713.db2.gz ZESKWTSDDUKOKM-GFCCVEGCSA-N 0 0 317.397 0.898 50 0 DCAARN CCc1noc(CN(CC)C(=O)Cn2cccc(OC)c2=O)n1 ZINC000095500955 185374714 /nfs/dbraw/zinc/37/47/14/185374714.db2.gz CPYLGUHPFSRABV-UHFFFAOYSA-N 0 0 320.349 0.851 50 0 DCAARN COc1cccc2c1OC[C@H](CNC(=O)CN1CCOC1=O)C2 ZINC000095511441 185376055 /nfs/dbraw/zinc/37/60/55/185376055.db2.gz FHTQQSQOFJBFNC-NSHDSACASA-N 0 0 320.345 0.815 50 0 DCAARN Cc1nc2ncc3c(ccn(Nc4nc(C)cc(=O)[nH]4)c3=O)n2n1 ZINC000013638735 282130880 /nfs/dbraw/zinc/13/08/80/282130880.db2.gz ILHICBHSNKANAK-UHFFFAOYSA-N 0 0 324.304 0.427 50 0 DCAARN C[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1N1CCOCC1 ZINC000078896757 185124809 /nfs/dbraw/zinc/12/48/09/185124809.db2.gz XSEOCTJFYMTGHF-TZMCWYRMSA-N 0 0 315.377 0.522 50 0 DCAARN CCS(=O)(=O)C[C@@H](C)NC(=O)c1cnn(C)c1-n1cccc1 ZINC000079096077 185157592 /nfs/dbraw/zinc/15/75/92/185157592.db2.gz ONJFSOJUEFTNRW-LLVKDONJSA-N 0 0 324.406 0.764 50 0 DCAARN CC(C)Cn1ncnc1CN1CCC[C@H]1c1nc(N)n(C)n1 ZINC000284290834 534926679 /nfs/dbraw/zinc/92/66/79/534926679.db2.gz NXAUMKFERZVVSQ-NSHDSACASA-N 0 0 304.402 0.982 50 0 DCAARN CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccnc(N(C)C)c2)C1 ZINC000089954658 185271370 /nfs/dbraw/zinc/27/13/70/185271370.db2.gz GYRJFXQRKXDVCO-CQSZACIVSA-N 0 0 319.409 0.958 50 0 DCAARN CNS(=O)(=O)CCn1cc(-c2ccc(NC(C)=O)cc2)nn1 ZINC000082098310 192354661 /nfs/dbraw/zinc/35/46/61/192354661.db2.gz XIOXNENAOCZJJY-UHFFFAOYSA-N 0 0 323.378 0.453 50 0 DCAARN O=C(CN1CC(c2nc(C3CC3)no2)C1)NC[C@H]1CCCO1 ZINC000090563457 185303684 /nfs/dbraw/zinc/30/36/84/185303684.db2.gz BTZNQRQYRMXJRQ-GFCCVEGCSA-N 0 0 306.366 0.641 50 0 DCAARN COCCCNC(=O)CN(C)[C@@H](C)C(=O)NCC(F)(F)F ZINC000096982287 185395217 /nfs/dbraw/zinc/39/52/17/185395217.db2.gz YETLLOLSOZYHEY-VIFPVBQESA-N 0 0 313.320 0.138 50 0 DCAARN Cc1cc(CS(=O)(=O)NC[C@@H](C)N2CCOCC2)no1 ZINC000095394573 185352564 /nfs/dbraw/zinc/35/25/64/185352564.db2.gz UHJDYHVARBOAIM-SNVBAGLBSA-N 0 0 303.384 0.123 50 0 DCAARN CN([C@H]1CCCN(c2ncc(Cl)cn2)C1)S(C)(=O)=O ZINC000095406823 185355916 /nfs/dbraw/zinc/35/59/16/185355916.db2.gz RGJHYCMWTHCSTO-JTQLQIEISA-N 0 0 304.803 0.990 50 0 DCAARN Cc1ccc(Cn2cccc(NC(=O)Cn3cnnn3)c2=O)cc1 ZINC000095436445 185364945 /nfs/dbraw/zinc/36/49/45/185364945.db2.gz JWUXKMUGNJQQNQ-UHFFFAOYSA-N 0 0 324.344 0.830 50 0 DCAARN CCS(=O)(=O)NCC(=O)N[C@H](C)Cc1cccc(F)c1 ZINC000095442947 185366696 /nfs/dbraw/zinc/36/66/96/185366696.db2.gz NIBTZESKFISPOQ-SNVBAGLBSA-N 0 0 302.371 0.812 50 0 DCAARN Cc1c(CNC(=O)NCc2cnc(N(C)C)n2C)cnn1C ZINC000095442751 185366712 /nfs/dbraw/zinc/36/67/12/185366712.db2.gz PCBAVIBIVCTJPD-UHFFFAOYSA-N 0 0 305.386 0.527 50 0 DCAARN O=C(NCCCN1CCNC(=O)C1)Nc1cccnc1Cl ZINC000095455371 185369735 /nfs/dbraw/zinc/36/97/35/185369735.db2.gz AXTJXISRNLSMAQ-UHFFFAOYSA-N 0 0 311.773 0.678 50 0 DCAARN CCS(=O)(=O)N(C)C1CCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000095466135 185371691 /nfs/dbraw/zinc/37/16/91/185371691.db2.gz PWGJROJBDCTOFW-CYBMUJFWSA-N 0 0 317.455 0.353 50 0 DCAARN CN(C)c1cccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000330959090 529793497 /nfs/dbraw/zinc/79/34/97/529793497.db2.gz DMVWGRZDJCKZDH-LBPRGKRZSA-N 0 0 313.379 0.677 50 0 DCAARN C[C@@H]1C[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CC(=O)N1 ZINC000095468811 185372352 /nfs/dbraw/zinc/37/23/52/185372352.db2.gz LXFNSLNOLZLHKA-VXGBXAGGSA-N 0 0 319.361 0.479 50 0 DCAARN CN(CCCC(=O)NC[C@@H]1COC(=O)N1)C(=O)OC(C)(C)C ZINC000408516655 529879077 /nfs/dbraw/zinc/87/90/77/529879077.db2.gz MDSAOAZNBMXVNS-SNVBAGLBSA-N 0 0 315.370 0.858 50 0 DCAARN Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](n3cncn3)C2)cn1 ZINC000229266234 201827115 /nfs/dbraw/zinc/82/71/15/201827115.db2.gz XOOVLCUJNVYJQS-HZSPNIEDSA-N 0 0 300.366 0.979 50 0 DCAARN COC(=O)C[C@@H](C)NC(=O)CNC(=O)OCc1ccccc1 ZINC000069873679 190832207 /nfs/dbraw/zinc/83/22/07/190832207.db2.gz BMWMEDWXGSZCQQ-LLVKDONJSA-N 0 0 308.334 0.981 50 0 DCAARN CNS(=O)(=O)c1ccc(CN(C)Cc2noc(C)n2)cc1 ZINC000071749447 191021954 /nfs/dbraw/zinc/02/19/54/191021954.db2.gz BWURZNUBZIKHGR-UHFFFAOYSA-N 0 0 310.379 0.918 50 0 DCAARN CNC(=O)c1nc(CN2CCC(N3CCCC3=O)CC2)no1 ZINC000071765229 191027441 /nfs/dbraw/zinc/02/74/41/191027441.db2.gz YJUNSHHNYYUTMX-UHFFFAOYSA-N 0 0 307.354 0.016 50 0 DCAARN CC(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000071853815 191032147 /nfs/dbraw/zinc/03/21/47/191032147.db2.gz UCWQJWMFSAAPHD-HNNXBMFYSA-N 0 0 316.405 0.989 50 0 DCAARN CN1CCN(S(=O)(=O)c2cc(C(N)=O)ccc2Cl)CC1 ZINC000072140597 191047556 /nfs/dbraw/zinc/04/75/56/191047556.db2.gz OQQRYBILSOZPBR-UHFFFAOYSA-N 0 0 317.798 0.375 50 0 DCAARN O=C(CCn1nnc2ccccc21)N1CCC[C@](O)(CO)CC1 ZINC000072145352 191050953 /nfs/dbraw/zinc/05/09/53/191050953.db2.gz SMYISHZLFFBTLA-MRXNPFEDSA-N 0 0 318.377 0.557 50 0 DCAARN CNC(=O)C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1OC ZINC000072146301 191053588 /nfs/dbraw/zinc/05/35/88/191053588.db2.gz HORHOWMMQWZYJM-HZRUHFOJSA-N 0 0 317.389 0.645 50 0 DCAARN O=C(CO)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000072148259 191054752 /nfs/dbraw/zinc/05/47/52/191054752.db2.gz SHCCTVZOVPWVIC-AWEZNQCLSA-N 0 0 321.396 0.931 50 0 DCAARN Cn1nc(C(F)(F)F)cc1C(=O)N1CCC[C@](O)(CO)CC1 ZINC000072151106 191055911 /nfs/dbraw/zinc/05/59/11/191055911.db2.gz UHQMJENXJXLKJZ-GFCCVEGCSA-N 0 0 321.299 0.788 50 0 DCAARN CS(=O)(=O)N1CC[C@]2(C1)CCCN(Cc1cccnc1)C2=O ZINC000072167554 191065960 /nfs/dbraw/zinc/06/59/60/191065960.db2.gz VQQFMTGFDUBWNV-HNNXBMFYSA-N 0 0 323.418 0.856 50 0 DCAARN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(C)CC2)o1 ZINC000072239859 191084096 /nfs/dbraw/zinc/08/40/96/191084096.db2.gz BLCCAORTIRQIJI-CQSZACIVSA-N 0 0 305.378 0.853 50 0 DCAARN COCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1 ZINC000072241732 191085100 /nfs/dbraw/zinc/08/51/00/191085100.db2.gz BCEFHZGDFRJOIQ-ZIAGYGMSSA-N 0 0 310.325 0.487 50 0 DCAARN Cc1cc(NC(=O)CN2CCn3c(nnc3C3CC3)C2)on1 ZINC000072268410 191091596 /nfs/dbraw/zinc/09/15/96/191091596.db2.gz KMAHHMGEJBKDRF-UHFFFAOYSA-N 0 0 302.338 0.906 50 0 DCAARN CC(C)(C)c1nnc(CN2CCO[C@@H](Cn3cncn3)C2)o1 ZINC000072267558 191090096 /nfs/dbraw/zinc/09/00/96/191090096.db2.gz CDYKHWAKGQVHIB-LLVKDONJSA-N 0 0 306.370 0.860 50 0 DCAARN CCCNC(=O)CN1CCC(Nc2nccn3cnnc23)CC1 ZINC000072289818 191107973 /nfs/dbraw/zinc/10/79/73/191107973.db2.gz ZHYVWIMGIXWILI-UHFFFAOYSA-N 0 0 317.397 0.527 50 0 DCAARN C[C@H](CC(N)=O)NC(=O)CN1c2ccccc2SCC1=O ZINC000072297824 191113293 /nfs/dbraw/zinc/11/32/93/191113293.db2.gz JMBQCTAEABFFRR-SECBINFHSA-N 0 0 307.375 0.505 50 0 DCAARN C[C@H](C(=O)[O-])[NH+]1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000237466018 186294126 /nfs/dbraw/zinc/29/41/26/186294126.db2.gz AWJDOSKFQRKXJR-LLVKDONJSA-N 0 0 302.338 0.257 50 0 DCAARN Cc1cc(N2CC[C@H](N3C(=O)[C@@H]4CCCN4C3=O)C2=O)n(C)n1 ZINC000253393890 186303756 /nfs/dbraw/zinc/30/37/56/186303756.db2.gz DEDBHFIVKHUMBN-QWRGUYRKSA-N 0 0 317.349 0.260 50 0 DCAARN Cn1nc(C(=O)N[C@@H](Cn2nccn2)c2ccccc2)ccc1=O ZINC000253400515 186306948 /nfs/dbraw/zinc/30/69/48/186306948.db2.gz LHTSZGMIIUYAGR-AWEZNQCLSA-N 0 0 324.344 0.543 50 0 DCAARN Cc1ccc(C(=O)NCCn2ccnc2)c(-n2cnnn2)c1C ZINC000253406841 186308452 /nfs/dbraw/zinc/30/84/52/186308452.db2.gz JIYDBPYIDPMIEW-UHFFFAOYSA-N 0 0 311.349 0.906 50 0 DCAARN Cc1ccc(NCCCNC(=O)[C@H](C)NS(C)(=O)=O)nc1 ZINC000172364173 198085919 /nfs/dbraw/zinc/08/59/19/198085919.db2.gz MIKZBKRWNKWIMM-NSHDSACASA-N 0 0 314.411 0.246 50 0 DCAARN CCn1nc(C)c(C[N@@H+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)c1C ZINC000072432027 191165014 /nfs/dbraw/zinc/16/50/14/191165014.db2.gz RNJZESCTMZXJMV-SWLSCSKDSA-N 0 0 306.366 0.152 50 0 DCAARN Cn1c(CCNC(=O)[C@H]2NCCc3nc[nH]c32)nc2ccccc21 ZINC000072436082 191166707 /nfs/dbraw/zinc/16/67/07/191166707.db2.gz MGIUMDRDEDZDEJ-INIZCTEOSA-N 0 0 324.388 0.842 50 0 DCAARN COCC(=O)N1CCC[C@@H](c2nnc(CN3CCCC3)n2C)C1 ZINC000072440584 191167877 /nfs/dbraw/zinc/16/78/77/191167877.db2.gz OIDJBMSUGYLDDH-CYBMUJFWSA-N 0 0 321.425 0.763 50 0 DCAARN CN1C[C@H](C(=O)N2CCN(Cc3cccc(F)c3)CC2)NC1=O ZINC000072458594 191172180 /nfs/dbraw/zinc/17/21/80/191172180.db2.gz KXGQOFURDJWZLS-CQSZACIVSA-N 0 0 320.368 0.494 50 0 DCAARN O=C(CN1C(=O)CNC1=O)N1CCCC[C@H]1c1ccccn1 ZINC000072463775 191173814 /nfs/dbraw/zinc/17/38/14/191173814.db2.gz VHEWTJRGUXMXRN-LBPRGKRZSA-N 0 0 302.334 0.687 50 0 DCAARN CCc1cc(NCCNS(C)(=O)=O)n2nc(C)c(C)c2n1 ZINC000072463890 191174013 /nfs/dbraw/zinc/17/40/13/191174013.db2.gz KGFPFPUTYCVCMH-UHFFFAOYSA-N 0 0 311.411 0.870 50 0 DCAARN O=C(CN1C(=O)CNC1=O)N1CCCC[C@@H]1c1ccccn1 ZINC000072463776 191174376 /nfs/dbraw/zinc/17/43/76/191174376.db2.gz VHEWTJRGUXMXRN-GFCCVEGCSA-N 0 0 302.334 0.687 50 0 DCAARN Cn1c(=O)cc(Cn2cc(NC(=O)C(C)(C)C)cn2)n(C)c1=O ZINC000172712232 198140293 /nfs/dbraw/zinc/14/02/93/198140293.db2.gz YFYXDDMPLQBLBN-UHFFFAOYSA-N 0 0 319.365 0.313 50 0 DCAARN CCc1nc(CN2CCc3ccc(S(N)(=O)=O)cc32)no1 ZINC000072661409 191210229 /nfs/dbraw/zinc/21/02/29/191210229.db2.gz BLHAXCSMCRGKNS-UHFFFAOYSA-N 0 0 308.363 0.842 50 0 DCAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000000390739 180775073 /nfs/dbraw/zinc/77/50/73/180775073.db2.gz JYAJMJWSKZNCFA-GFCCVEGCSA-N 0 0 312.391 0.521 50 0 DCAARN COC(=O)[C@H](C)NC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000000539232 180817282 /nfs/dbraw/zinc/81/72/82/180817282.db2.gz RBSRDGWPDLUTGN-ZETCQYMHSA-N 0 0 301.324 0.017 50 0 DCAARN CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000000818537 180835263 /nfs/dbraw/zinc/83/52/63/180835263.db2.gz PYASVNRLFSRGKQ-JTQLQIEISA-N 0 0 300.355 0.972 50 0 DCAARN Cn1ccc(-c2nnc(SCC(N)=O)n2C[C@H]2CCCO2)n1 ZINC000002774861 180955077 /nfs/dbraw/zinc/95/50/77/180955077.db2.gz UYEVAHDWRQGSCD-SECBINFHSA-N 0 0 322.394 0.435 50 0 DCAARN NC(=O)CN1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000073120262 191279977 /nfs/dbraw/zinc/27/99/77/191279977.db2.gz ZYWNWOVBSJYLDV-UHFFFAOYSA-N 0 0 311.345 0.983 50 0 DCAARN Cc1ccc(S(=O)(=O)NC[C@H](C)NS(C)(=O)=O)cc1 ZINC000002848340 180963424 /nfs/dbraw/zinc/96/34/24/180963424.db2.gz BCPXBSZHATYLKX-JTQLQIEISA-N 0 0 306.409 0.211 50 0 DCAARN COc1ccc(C(=O)NCC(=O)OCC(=O)NC(C)(C)C)cc1 ZINC000003319483 181004855 /nfs/dbraw/zinc/00/48/55/181004855.db2.gz VJGIZYKFTFNALR-UHFFFAOYSA-N 0 0 322.361 0.883 50 0 DCAARN C[C@@H]1CN(C(=O)COC(=O)c2ccc(O)cc2O)C[C@@H](C)O1 ZINC000003417917 181016972 /nfs/dbraw/zinc/01/69/72/181016972.db2.gz LZWWFWJHOLVALU-NXEZZACHSA-N 0 0 309.318 0.890 50 0 DCAARN CC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O ZINC000003622824 181042076 /nfs/dbraw/zinc/04/20/76/181042076.db2.gz IFLZUQOFCCEFQX-SNVBAGLBSA-N 0 0 305.212 0.726 50 0 DCAARN CC1=C(C(N)=O)[C@H](c2cccnc2)N2NC(CCCO)=NC2=N1 ZINC000004030417 181064177 /nfs/dbraw/zinc/06/41/77/181064177.db2.gz VHMLZPCNAVUNNS-ZDUSSCGKSA-N 0 0 314.349 0.243 50 0 DCAARN CNS(=O)(=O)c1cc(OC)c(OC)cc1CC(=O)OC ZINC000004091898 181072147 /nfs/dbraw/zinc/07/21/47/181072147.db2.gz UUYYUGFFUCWYKB-UHFFFAOYSA-N 0 0 303.336 0.327 50 0 DCAARN Cc1ccc(C)c(NC(=O)CSc2nncc(=O)n2N)c1 ZINC000004338051 181100100 /nfs/dbraw/zinc/10/01/00/181100100.db2.gz FOOURSQUAUANIO-UHFFFAOYSA-N 0 0 305.363 0.700 50 0 DCAARN CNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C ZINC000004487088 181113463 /nfs/dbraw/zinc/11/34/63/181113463.db2.gz AANUOPMBSQXHMC-UHFFFAOYSA-N 0 0 312.391 0.904 50 0 DCAARN CN(C)S(=O)(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004497779 181115752 /nfs/dbraw/zinc/11/57/52/181115752.db2.gz SQCKDROWZQHXNM-SNVBAGLBSA-N 0 0 301.343 0.327 50 0 DCAARN CCOc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004505424 181117089 /nfs/dbraw/zinc/11/70/89/181117089.db2.gz VDIFGBZKROIMCQ-SNVBAGLBSA-N 0 0 319.404 0.551 50 0 DCAARN Cn1ccc2c(OCC(=O)N3CCOCC3)cccc2c1=O ZINC000004583993 181127404 /nfs/dbraw/zinc/12/74/04/181127404.db2.gz VYJGDZGQUFREKQ-UHFFFAOYSA-N 0 0 302.330 0.776 50 0 DCAARN O=C(NCCO)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O ZINC000004700287 181139000 /nfs/dbraw/zinc/13/90/00/181139000.db2.gz GTQLXGXKAXUIAG-CQSZACIVSA-N 0 0 318.304 0.520 50 0 DCAARN COCCn1cc(NC(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)cn1 ZINC000075109516 191419095 /nfs/dbraw/zinc/41/90/95/191419095.db2.gz NTLFERXFHWXTBG-LLVKDONJSA-N 0 0 323.353 0.187 50 0 DCAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CSCCC(=O)N1 ZINC000075171136 191437866 /nfs/dbraw/zinc/43/78/66/191437866.db2.gz STFIZTPBJYWJGD-JTQLQIEISA-N 0 0 308.359 0.653 50 0 DCAARN COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)NCc1ccccc1 ZINC000004992834 181186926 /nfs/dbraw/zinc/18/69/26/181186926.db2.gz DEIJUOUQGHJCJM-GFCCVEGCSA-N 0 0 302.330 0.886 50 0 DCAARN COc1ccc(C(=O)NCc2nnc3n2CCCC3)c(OC)n1 ZINC000075876644 191529386 /nfs/dbraw/zinc/52/93/86/191529386.db2.gz PNZSWGVAPZTROR-UHFFFAOYSA-N 0 0 317.349 0.957 50 0 DCAARN CN1C[C@H](C(=O)N2CCC(OCc3cccnc3)CC2)NC1=O ZINC000077299452 191688074 /nfs/dbraw/zinc/68/80/74/191688074.db2.gz HQCXLAOOYYUHDY-CQSZACIVSA-N 0 0 318.377 0.613 50 0 DCAARN CC(C)N1C[C@@H](C(=O)NCc2ncc3c(n2)CCC3)CC1=O ZINC000077421128 191712327 /nfs/dbraw/zinc/71/23/27/191712327.db2.gz OMWUUNDAONDQTB-LBPRGKRZSA-N 0 0 302.378 0.838 50 0 DCAARN CN1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000005122992 181206346 /nfs/dbraw/zinc/20/63/46/181206346.db2.gz GICOCKJNQHAYIQ-CYBMUJFWSA-N 0 0 302.378 0.749 50 0 DCAARN OC[C@@H]1O[C@H](Nc2ccc(Br)cc2)[C@H](O)[C@@H]1O ZINC000005223661 181218288 /nfs/dbraw/zinc/21/82/88/181218288.db2.gz ZRQCFZMEABNUFB-ZDCRXTMVSA-N 0 0 304.140 0.300 50 0 DCAARN COc1cccc2c1ccn2CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000079501552 191945380 /nfs/dbraw/zinc/94/53/80/191945380.db2.gz CZMWHZMFDZMDAJ-LLVKDONJSA-N 0 0 322.386 0.953 50 0 DCAARN C[N@H+](Cc1c(C(=O)[O-])nnn1-c1nonc1N)C1CCCCC1 ZINC000005484012 181248471 /nfs/dbraw/zinc/24/84/71/181248471.db2.gz BEPALIXPHSEMKR-UHFFFAOYSA-N 0 0 321.341 0.695 50 0 DCAARN CCOc1ccc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1 ZINC000005629541 181265954 /nfs/dbraw/zinc/26/59/54/181265954.db2.gz OIMLKYFEGKUAMW-UHFFFAOYSA-N 0 0 305.290 0.444 50 0 DCAARN CN1C[C@@H](C(=O)N2CCC(Oc3cnccn3)CC2)CC1=O ZINC000085471882 192512182 /nfs/dbraw/zinc/51/21/82/192512182.db2.gz BOVHRRXNZPOYBX-NSHDSACASA-N 0 0 304.350 0.325 50 0 DCAARN Cn1cnn(CC(=O)N2CCC[C@H]2Cc2cccc(F)c2)c1=O ZINC000179457243 199039611 /nfs/dbraw/zinc/03/96/11/199039611.db2.gz PDMYXUNYLQLPFW-AWEZNQCLSA-N 0 0 318.352 0.955 50 0 DCAARN NC(=O)[C@@H]1CC(C(=O)Nc2cn[nH]c2)=NN1c1ccc(F)cc1 ZINC000040512212 283316188 /nfs/dbraw/zinc/31/61/88/283316188.db2.gz NEBQGGCMKJZKIP-LBPRGKRZSA-N 0 0 316.296 0.608 50 0 DCAARN CC[C@]1(c2cnn(C)c2)NC(=O)N(Cc2ccnn2C)C1=O ZINC000180702289 199199118 /nfs/dbraw/zinc/19/91/18/199199118.db2.gz OREOSSKDPMXZQY-CQSZACIVSA-N 0 0 302.338 0.511 50 0 DCAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N(C)C)[C@@H](C)O)cc1 ZINC000180905371 199227088 /nfs/dbraw/zinc/22/70/88/199227088.db2.gz NBCHXUQJCKSUAI-ZYHUDNBSSA-N 0 0 300.380 0.111 50 0 DCAARN Cc1cc(S(=O)(=O)N2CC[C@@H](S(N)(=O)=O)C2)c(C)s1 ZINC000089582426 192821170 /nfs/dbraw/zinc/82/11/70/192821170.db2.gz LOJZCGBMVAYQBS-SECBINFHSA-N 0 0 324.449 0.416 50 0 DCAARN C[C@@H](NC(=O)c1cc(OCC(F)F)ccn1)c1nnnn1C ZINC000239351934 202453578 /nfs/dbraw/zinc/45/35/78/202453578.db2.gz AARIPQCKRITLCV-SSDOTTSWSA-N 0 0 312.280 0.740 50 0 DCAARN CCOc1nccn2c(CNC(=O)c3c(C)n[nH]c3C)nnc12 ZINC000238883229 238157522 /nfs/dbraw/zinc/15/75/22/238157522.db2.gz PPSSACYLCCRLRN-UHFFFAOYSA-N 0 0 315.337 0.793 50 0 DCAARN COC[C@H](C)N(C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000089901575 192900743 /nfs/dbraw/zinc/90/07/43/192900743.db2.gz YHSDBBSIQQWNRC-JTQLQIEISA-N 0 0 315.395 0.510 50 0 DCAARN Cn1c(CNC(=O)N2CCOC[C@@H]2CO)nc2ccccc21 ZINC000408524837 239273872 /nfs/dbraw/zinc/27/38/72/239273872.db2.gz ZUPVBDMXXVYXDE-NSHDSACASA-N 0 0 304.350 0.476 50 0 DCAARN COc1ccc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000006552269 181353322 /nfs/dbraw/zinc/35/33/22/181353322.db2.gz FWHWCHMXJOIVJJ-LBPRGKRZSA-N 0 0 312.391 0.753 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)C[C@@H](C)O1 ZINC000006671928 181368647 /nfs/dbraw/zinc/36/86/47/181368647.db2.gz JZUKNUXCOOFPPF-GHMZBOCLSA-N 0 0 302.334 0.427 50 0 DCAARN Cn1c(Cn2ccnc2)nnc1C1CCN(S(C)(=O)=O)CC1 ZINC000091325320 193040837 /nfs/dbraw/zinc/04/08/37/193040837.db2.gz CURYVZCDTNHANU-UHFFFAOYSA-N 0 0 324.410 0.199 50 0 DCAARN CCc1noc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)n1 ZINC000091365320 193046697 /nfs/dbraw/zinc/04/66/97/193046697.db2.gz RFLPHXSUWKHTAV-UHFFFAOYSA-N 0 0 322.409 0.829 50 0 DCAARN CCc1noc([C@H]2CCC(=O)N(CCN3CCOCC3)C2)n1 ZINC000091391128 193049734 /nfs/dbraw/zinc/04/97/34/193049734.db2.gz LBVPDQJNIJKIOH-LBPRGKRZSA-N 0 0 308.382 0.670 50 0 DCAARN Cc1noc(C)c1CN(C)C(=O)CN1CCC(C(N)=O)CC1 ZINC000091411622 193052267 /nfs/dbraw/zinc/05/22/67/193052267.db2.gz NOQRZSVDCKGBMD-UHFFFAOYSA-N 0 0 308.382 0.447 50 0 DCAARN O=C(Cc1ccsc1)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 ZINC000091574183 193074722 /nfs/dbraw/zinc/07/47/22/193074722.db2.gz UNERDNUARJECFM-HUUCEWRRSA-N 0 0 324.446 0.690 50 0 DCAARN O=C(Cn1ccnc1-c1ccccc1)NCCN1CCOCC1 ZINC000091587490 193076160 /nfs/dbraw/zinc/07/61/60/193076160.db2.gz WZYGYKCKRYCWCC-UHFFFAOYSA-N 0 0 314.389 0.999 50 0 DCAARN CCc1csc(CNC(=O)CN2CCC(C(N)=O)CC2)n1 ZINC000091595740 193077762 /nfs/dbraw/zinc/07/77/62/193077762.db2.gz DYALJWVRTVDCNM-UHFFFAOYSA-N 0 0 310.423 0.519 50 0 DCAARN COc1cccc(-c2n[nH]cc2C(=O)N[C@@H]2CCNC2=O)c1 ZINC000091616590 193079765 /nfs/dbraw/zinc/07/97/65/193079765.db2.gz ZZNQOJGIYVMXQY-GFCCVEGCSA-N 0 0 300.318 0.704 50 0 DCAARN Cc1nc(C)n(CCNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)n1 ZINC000091657105 193085810 /nfs/dbraw/zinc/08/58/10/193085810.db2.gz GDCZERGVIHXRSU-CYBMUJFWSA-N 0 0 319.409 0.802 50 0 DCAARN CCN1C[C@H](C(=O)N2CCN(CCn3cccc3)CC2)CC1=O ZINC000091663757 193087202 /nfs/dbraw/zinc/08/72/02/193087202.db2.gz UWZJPFDICHMERL-OAHLLOKOSA-N 0 0 318.421 0.501 50 0 DCAARN COCCC[C@]1(CO)CCCN(c2cncc(C(N)=O)n2)C1 ZINC000091621135 193080676 /nfs/dbraw/zinc/08/06/76/193080676.db2.gz UOKFZVOAXQCJRY-OAHLLOKOSA-N 0 0 308.382 0.581 50 0 DCAARN O=C(NCCN1CCOC1=O)c1cc(=O)[nH]c2ccccc21 ZINC000092037696 193144286 /nfs/dbraw/zinc/14/42/86/193144286.db2.gz WYNNRFODSDTIJA-UHFFFAOYSA-N 0 0 301.302 0.710 50 0 DCAARN COc1ccccc1CN1C[C@@H](C(=O)NCC(N)=O)CCC1=O ZINC000092045714 193147303 /nfs/dbraw/zinc/14/73/03/193147303.db2.gz JIWIAQLHRKEZAP-LBPRGKRZSA-N 0 0 319.361 0.035 50 0 DCAARN CN1CCC[C@]2(CCN(C(=O)CCc3cnccn3)C2)C1=O ZINC000092061865 193151103 /nfs/dbraw/zinc/15/11/03/193151103.db2.gz HHFQPAORBKWKOL-MRXNPFEDSA-N 0 0 302.378 0.880 50 0 DCAARN Cc1c[nH]c(C(=O)N2CCCO[C@@H](CN3CCOCC3)C2)n1 ZINC000215824207 201472403 /nfs/dbraw/zinc/47/24/03/201472403.db2.gz ZKHOJJDPDSBBMR-ZDUSSCGKSA-N 0 0 308.382 0.281 50 0 DCAARN Cc1cc(N)n(CC(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)n1 ZINC000220580989 201577260 /nfs/dbraw/zinc/57/72/60/201577260.db2.gz MGICARBZIWODII-OLZOCXBDSA-N 0 0 308.382 0.474 50 0 DCAARN Cc1cc(=O)c2ccccc2n1CC(=O)N(C)[C@H]1COC[C@@H]1O ZINC000222235811 201604437 /nfs/dbraw/zinc/60/44/37/201604437.db2.gz WBXTVLZXFKVKHD-HOCLYGCPSA-N 0 0 316.357 0.528 50 0 DCAARN CCCC[C@@H](NC(=O)CN1C(=O)CNC1=O)c1cccnc1 ZINC000222632741 201617172 /nfs/dbraw/zinc/61/71/72/201617172.db2.gz DIVLLMBUTKNNND-GFCCVEGCSA-N 0 0 304.350 0.981 50 0 DCAARN CCN(CCOCCO)C(=O)Cn1cnc(-c2ccccc2)n1 ZINC000252483565 202840522 /nfs/dbraw/zinc/84/05/22/202840522.db2.gz FFDCKUJHZOMBHQ-UHFFFAOYSA-N 0 0 318.377 0.803 50 0 DCAARN CC[C@H](C)[C@H](CO)NC(=O)CCc1nnc2ccc(OC)nn21 ZINC000252489784 202847019 /nfs/dbraw/zinc/84/70/19/202847019.db2.gz KAJNERURVOJQCN-QWRGUYRKSA-N 0 0 321.381 0.589 50 0 DCAARN CCCN(C(=O)c1ccc(C)[nH]c1=O)[C@H]1CC(=O)N(C)C1=O ZINC000253535079 202894841 /nfs/dbraw/zinc/89/48/41/202894841.db2.gz GQEDBMUVPVXNEC-NSHDSACASA-N 0 0 305.334 0.705 50 0 DCAARN CNC(=O)c1ccc(NC(=O)CNC(=O)c2ccn(C)n2)cc1 ZINC000096192329 193570884 /nfs/dbraw/zinc/57/08/84/193570884.db2.gz KCWHWLBOEBBTHN-UHFFFAOYSA-N 0 0 315.333 0.148 50 0 DCAARN Cc1nn(C)c2nc(NCCS(=O)(=O)N(C)C)sc12 ZINC000096150925 193552707 /nfs/dbraw/zinc/55/27/07/193552707.db2.gz WZCFMHLOOSENRR-UHFFFAOYSA-N 0 0 303.413 0.642 50 0 DCAARN C[C@@]1(O)CCN(C(=O)CCC(=O)Nc2ccccc2)C[C@@H]1O ZINC000096149337 193552948 /nfs/dbraw/zinc/55/29/48/193552948.db2.gz KARLFNZQYPLXMI-XJKSGUPXSA-N 0 0 306.362 0.750 50 0 DCAARN O=C(CN1CCCCCC1=O)N1CCN(C(=O)C2CC2)CC1 ZINC000008327652 181549086 /nfs/dbraw/zinc/54/90/86/181549086.db2.gz YQMGNJZINMXVEO-UHFFFAOYSA-N 0 0 307.394 0.470 50 0 DCAARN COCCNc1nc2nonc2nc1N1CC[C@@H](COC)C1 ZINC000012386250 181755153 /nfs/dbraw/zinc/75/51/53/181755153.db2.gz RUMQZKDDDIGCBW-SECBINFHSA-N 0 0 308.342 0.544 50 0 DCAARN C/C=C/Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C ZINC000013122968 181831120 /nfs/dbraw/zinc/83/11/20/181831120.db2.gz DFQPZPOLTUQKKY-SNAWJCMRSA-N 0 0 313.155 0.772 50 0 DCAARN CN(CN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000014167540 181932140 /nfs/dbraw/zinc/93/21/40/181932140.db2.gz PFFOFLNHQZLTRY-SNVBAGLBSA-N 0 0 308.359 0.359 50 0 DCAARN C[C@@H](C(=O)NC(N)=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000014199829 181936706 /nfs/dbraw/zinc/93/67/06/181936706.db2.gz NABHHXCSGXTENP-NSHDSACASA-N 0 0 304.350 0.028 50 0 DCAARN O=C([C@H](c1ccccc1)N1CCNC(=O)C1)N1CCOCC1 ZINC000015479717 182004211 /nfs/dbraw/zinc/00/42/11/182004211.db2.gz JAZYWGJYSHNJDH-HNNXBMFYSA-N 0 0 303.362 0.018 50 0 DCAARN Cn1c(COc2ccc3c(c2)OCO3)nnc1SCC(N)=O ZINC000017043104 182070408 /nfs/dbraw/zinc/07/04/08/182070408.db2.gz ZQKQDVJADSKNKV-UHFFFAOYSA-N 0 0 322.346 0.700 50 0 DCAARN COCCNC(=O)C(=O)NCCc1ccc(N2CCCC2)cc1 ZINC000016942657 182065222 /nfs/dbraw/zinc/06/52/22/182065222.db2.gz RURGENISPLBDGE-UHFFFAOYSA-N 0 0 319.405 0.708 50 0 DCAARN O=C(NCc1n[nH]c(=O)c2ccccc12)C(=O)NC1CCCC1 ZINC000017200987 182079870 /nfs/dbraw/zinc/07/98/70/182079870.db2.gz BHRJJQSLNWRERF-UHFFFAOYSA-N 0 0 314.345 0.598 50 0 DCAARN COc1ccc(NC(=O)CN(C)C(=O)C2=COCCO2)cc1 ZINC000018003293 182088985 /nfs/dbraw/zinc/08/89/85/182088985.db2.gz QXLKMEHSGVPUKY-UHFFFAOYSA-N 0 0 306.318 0.980 50 0 DCAARN COc1ccccc1C(=O)NN1C(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@H]2C1=O ZINC000018057536 182091498 /nfs/dbraw/zinc/09/14/98/182091498.db2.gz DUDMCOLAOVMIEZ-MPZDIEGVSA-N 0 0 314.297 0.278 50 0 DCAARN CN(CC(=O)Nc1ccn(C)n1)S(=O)(=O)c1cccs1 ZINC000018949001 182103456 /nfs/dbraw/zinc/10/34/56/182103456.db2.gz IKIITUQHUMYYBM-UHFFFAOYSA-N 0 0 314.392 0.741 50 0 DCAARN CCOC(=O)CCNC(=O)N1CCC[C@@H](N2CCOCC2)C1 ZINC000019224062 182108200 /nfs/dbraw/zinc/10/82/00/182108200.db2.gz VNIDMQSASMDCEG-CYBMUJFWSA-N 0 0 313.398 0.446 50 0 DCAARN CC(=O)N1CCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000019830697 182153898 /nfs/dbraw/zinc/15/38/98/182153898.db2.gz GIFOHYWFILVJTR-AWEZNQCLSA-N 0 0 301.346 0.483 50 0 DCAARN CCOC(=O)N1CCN(CN2c3ccccc3C(=O)C2=O)CC1 ZINC000019927762 182165485 /nfs/dbraw/zinc/16/54/85/182165485.db2.gz JWSJHJGQCKADAC-UHFFFAOYSA-N 0 0 317.345 0.948 50 0 DCAARN Cc1ccc(C(=O)NC(=S)NCCN2CCOCC2)cc1 ZINC000019883419 182159971 /nfs/dbraw/zinc/15/99/71/182159971.db2.gz MLZRBVVWHVXESI-UHFFFAOYSA-N 0 0 307.419 0.932 50 0 DCAARN CCCCN1C(=O)[N-]C(=O)C(=C(CC)NCC[NH+](C)C)C1=O ZINC000020291429 182203492 /nfs/dbraw/zinc/20/34/92/182203492.db2.gz OPRKPMDSGYTUDQ-VAWYXSNFSA-N 0 0 310.398 0.680 50 0 DCAARN CC(=O)N1CCN(C(=O)CCc2cccc(F)c2)C[C@H](O)C1 ZINC000097716956 193750357 /nfs/dbraw/zinc/75/03/57/193750357.db2.gz SUOPWEIXTRJOJP-OAHLLOKOSA-N 0 0 308.353 0.810 50 0 DCAARN CC(C)[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)C(N)=O ZINC000020598381 182236429 /nfs/dbraw/zinc/23/64/29/182236429.db2.gz FYADRUDAKZOZEO-CYBMUJFWSA-N 0 0 302.334 0.023 50 0 DCAARN Cc1ccc(C(=O)NCCNC(=O)c2nonc2N)cc1F ZINC000020899733 182252619 /nfs/dbraw/zinc/25/26/19/182252619.db2.gz MSLDKHJEAIGKSU-UHFFFAOYSA-N 0 0 307.285 0.259 50 0 DCAARN CCOc1ccc(NC(=O)CN2CCN(CC(N)=O)CC2)cc1 ZINC000020766826 182246744 /nfs/dbraw/zinc/24/67/44/182246744.db2.gz FRTXQHJEHQHTBY-UHFFFAOYSA-N 0 0 320.393 0.127 50 0 DCAARN CC[C@@H](CO)NC(=O)c1nn(-c2ccc(Cl)cc2)nc1CO ZINC000020869340 182250615 /nfs/dbraw/zinc/25/06/15/182250615.db2.gz WIMLPCGGCMPDPR-JTQLQIEISA-N 0 0 324.768 0.914 50 0 DCAARN CCCN1C[C@@H](NC(=O)[C@H]2COc3ccccc3O2)CC1=O ZINC000020996163 182257934 /nfs/dbraw/zinc/25/79/34/182257934.db2.gz UVWMZPAZONTGRL-SMDDNHRTSA-N 0 0 304.346 0.954 50 0 DCAARN Cn1cc(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cn1 ZINC000021561749 182280788 /nfs/dbraw/zinc/28/07/88/182280788.db2.gz GJJABLJQBGFCJP-UHFFFAOYSA-N 0 0 319.365 0.405 50 0 DCAARN COc1cc2c(cc1OC)CN(CN1C(=O)CN(C)C1=O)CC2 ZINC000021763277 182288051 /nfs/dbraw/zinc/28/80/51/182288051.db2.gz IAJSNFNMEIHKLS-UHFFFAOYSA-N 0 0 319.361 0.913 50 0 DCAARN COc1cc(NC(=O)CN2CCOCC2)cc(OC)c1OC ZINC000021822416 182294244 /nfs/dbraw/zinc/29/42/44/182294244.db2.gz UJHBDEVCNIDMHU-UHFFFAOYSA-N 0 0 310.350 0.983 50 0 DCAARN COc1ccc(CCNC(=O)CN2CCOCC2)cc1OC ZINC000021822368 182294404 /nfs/dbraw/zinc/29/44/04/182294404.db2.gz IZLFCJRXCNCDJR-UHFFFAOYSA-N 0 0 308.378 0.695 50 0 DCAARN COC(=O)c1c(C)[nH]c(C(=O)NCCN2CCOCC2)c1C ZINC000022357003 182319697 /nfs/dbraw/zinc/31/96/97/182319697.db2.gz XGPIUJHSFOYFQX-UHFFFAOYSA-N 0 0 309.366 0.480 50 0 DCAARN COc1ccc(NC(=O)C[C@H](C(=O)[O-])N2CC[NH2+]CC2)cc1 ZINC000022592495 182326970 /nfs/dbraw/zinc/32/69/70/182326970.db2.gz JAYMMYDFVQTQMC-CYBMUJFWSA-N 0 0 307.350 0.382 50 0 DCAARN Cc1ccc(C)c(NC(=O)C[C@H](C(=O)[O-])N2CC[NH2+]CC2)c1 ZINC000022466414 182322750 /nfs/dbraw/zinc/32/27/50/182322750.db2.gz WIWOGTHNLWVFSY-CQSZACIVSA-N 0 0 305.378 0.990 50 0 DCAARN CNS(=O)(=O)c1ccc(CCC(=O)Nc2nc[nH]n2)cc1 ZINC000023142230 182350772 /nfs/dbraw/zinc/35/07/72/182350772.db2.gz MGCAEDOALYZUSU-UHFFFAOYSA-N 0 0 309.351 0.284 50 0 DCAARN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ncn[nH]1 ZINC000023142345 182351431 /nfs/dbraw/zinc/35/14/31/182351431.db2.gz APEQDOVEGBLLMX-LLVKDONJSA-N 0 0 305.313 0.759 50 0 DCAARN C[C@@H](C(=O)NC1CCCC1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000023256967 182355027 /nfs/dbraw/zinc/35/50/27/182355027.db2.gz PRWQGWALDUCINE-ZDUSSCGKSA-N 0 0 322.453 0.330 50 0 DCAARN NC(=O)COc1ccc(NC(=O)CCSCC(N)=O)cc1 ZINC000023100532 182346924 /nfs/dbraw/zinc/34/69/24/182346924.db2.gz QRXHQGWVLWQTLS-UHFFFAOYSA-N 0 0 311.363 0.098 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)NCc1cc2c(s1)CCC2 ZINC000097985735 193771375 /nfs/dbraw/zinc/77/13/75/193771375.db2.gz BRRLYUNWYTZQHH-JTQLQIEISA-N 0 0 307.375 0.841 50 0 DCAARN CC(C)Cc1nnc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)[nH]1 ZINC000023543943 182363135 /nfs/dbraw/zinc/36/31/35/182363135.db2.gz OXHUWVHUORXDIM-SECBINFHSA-N 0 0 315.399 0.559 50 0 DCAARN Cn1cc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cn1 ZINC000024585028 182384484 /nfs/dbraw/zinc/38/44/84/182384484.db2.gz IRAQUOZKABAYTA-UHFFFAOYSA-N 0 0 313.317 0.864 50 0 DCAARN COc1ccc(S(=O)(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000024682117 182386607 /nfs/dbraw/zinc/38/66/07/182386607.db2.gz HKOVITVBBYPMDZ-GFCCVEGCSA-N 0 0 314.407 0.694 50 0 DCAARN CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(C)c2)c1 ZINC000025306057 182408204 /nfs/dbraw/zinc/40/82/04/182408204.db2.gz HJCIKZKIBBFSBO-UHFFFAOYSA-N 0 0 308.363 0.971 50 0 DCAARN COc1cccc(NC(=O)CN(C)S(=O)(=O)N(C)C)c1 ZINC000027975175 182501081 /nfs/dbraw/zinc/50/10/81/182501081.db2.gz LHOFXTUYJJQYSK-UHFFFAOYSA-N 0 0 301.368 0.372 50 0 DCAARN NC(=O)[C@H]1CC(C(=O)NCc2cccnc2)=NN1c1ccccc1 ZINC000029974205 182582600 /nfs/dbraw/zinc/58/26/00/182582600.db2.gz AVVOVSPDWLQKGS-OAHLLOKOSA-N 0 0 323.356 0.818 50 0 DCAARN CC[NH2+]CCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621204 193802048 /nfs/dbraw/zinc/80/20/48/193802048.db2.gz LFKBXTUMHGSFHB-UHFFFAOYSA-N 0 0 301.346 0.603 50 0 DCAARN O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccc(=O)[nH]n1 ZINC000031943268 182629536 /nfs/dbraw/zinc/62/95/36/182629536.db2.gz IYSVFUTZJGYVKT-CQSZACIVSA-N 0 0 324.406 0.120 50 0 DCAARN CCc1nnc(CN2CCN(C(=O)c3ccccn3)CC2)o1 ZINC000032804100 182665696 /nfs/dbraw/zinc/66/56/96/182665696.db2.gz CQUWERCQVCRFIH-UHFFFAOYSA-N 0 0 301.350 0.985 50 0 DCAARN CCN1CCN(CCOc2ccc(C(C)=O)cc2)C(=O)C1=O ZINC000033359724 182706808 /nfs/dbraw/zinc/70/68/08/182706808.db2.gz UOLVWHGTIUDFTI-UHFFFAOYSA-N 0 0 304.346 0.959 50 0 DCAARN CCCc1nnsc1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000036354693 182818495 /nfs/dbraw/zinc/81/84/95/182818495.db2.gz XSRFOEJWYGNLLC-UHFFFAOYSA-N 0 0 318.424 0.208 50 0 DCAARN COc1ccc(CCNC(=O)Cn2cnc(C)cc2=O)cc1 ZINC000038509503 183000785 /nfs/dbraw/zinc/00/07/85/183000785.db2.gz DBSDOBRDZFROOG-UHFFFAOYSA-N 0 0 301.346 0.919 50 0 DCAARN COCCNC(=O)C[C@@H]1CSc2nc3c(c(=O)n21)CCC3 ZINC000038756162 183009284 /nfs/dbraw/zinc/00/92/84/183009284.db2.gz XMEKNGGAXZTXFX-SECBINFHSA-N 0 0 309.391 0.532 50 0 DCAARN Cc1ccn(CCNC(=O)C(=O)Nc2c(C)nn(C)c2C)n1 ZINC000040267272 183049888 /nfs/dbraw/zinc/04/98/88/183049888.db2.gz QXVNPLJETSTBSS-UHFFFAOYSA-N 0 0 304.354 0.297 50 0 DCAARN Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCCCC2)c1 ZINC000040267383 183050092 /nfs/dbraw/zinc/05/00/92/183050092.db2.gz ZDCPIFWQDFOEIM-UHFFFAOYSA-N 0 0 314.349 0.922 50 0 DCAARN Cc1cc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)no1 ZINC000040475721 183074156 /nfs/dbraw/zinc/07/41/56/183074156.db2.gz HSIBWZNRXLRWHH-UHFFFAOYSA-N 0 0 308.319 0.419 50 0 DCAARN COc1cc(/C=C/C(=O)N[C@H](C)C(N)=O)cc(OC)c1OC ZINC000040475742 183074512 /nfs/dbraw/zinc/07/45/12/183074512.db2.gz BUDWTWKAJWKISX-VUHVRTRXSA-N 0 0 308.334 0.716 50 0 DCAARN Cc1ccc(C(N)=O)c(OCc2cc(=O)n(C)c(=O)n2C)c1 ZINC000040479799 183076723 /nfs/dbraw/zinc/07/67/23/183076723.db2.gz CLKGIINJRGQYAU-UHFFFAOYSA-N 0 0 303.318 0.070 50 0 DCAARN O=C(CN1CCOCC1)N1CCN(CCc2ccccc2)CC1 ZINC000040487674 183078240 /nfs/dbraw/zinc/07/82/40/183078240.db2.gz VKOZQBXELWULQA-UHFFFAOYSA-N 0 0 317.433 0.706 50 0 DCAARN COc1ccc(F)cc1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000040489082 183079352 /nfs/dbraw/zinc/07/93/52/183079352.db2.gz NEHOBVJKIINHRY-UHFFFAOYSA-N 0 0 316.354 0.552 50 0 DCAARN Cc1cc(C)n2ncc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2n1 ZINC000040498442 183082486 /nfs/dbraw/zinc/08/24/86/183082486.db2.gz HJVYEAUSTUFFBL-SNVBAGLBSA-N 0 0 308.363 0.263 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)NCCCn1cccn1 ZINC000040504451 183084760 /nfs/dbraw/zinc/08/47/60/183084760.db2.gz AKRXSFRBFJZINX-UHFFFAOYSA-N 0 0 300.318 0.998 50 0 DCAARN Cc1cc(CN(C)S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)no1 ZINC000040505369 183085228 /nfs/dbraw/zinc/08/52/28/183085228.db2.gz LRARFZDVIVGYRO-GHMZBOCLSA-N 0 0 303.384 0.769 50 0 DCAARN O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCNC(=O)C1 ZINC000040510379 183086520 /nfs/dbraw/zinc/08/65/20/183086520.db2.gz VJGQZRPWGRRRIC-UHFFFAOYSA-N 0 0 305.725 0.493 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CCn1cccn1 ZINC000040522901 183091397 /nfs/dbraw/zinc/09/13/97/183091397.db2.gz QAXGKSGCMXKJJW-GFCCVEGCSA-N 0 0 314.411 0.204 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@H](C)CN2CCOCC2)cc1 ZINC000040528162 183093146 /nfs/dbraw/zinc/09/31/46/183093146.db2.gz XWRNKIBVEPVARX-GFCCVEGCSA-N 0 0 314.407 0.694 50 0 DCAARN COc1ccc(S(=O)(=O)N[C@H]2CCCCNC2=O)cc1F ZINC000040527158 183093715 /nfs/dbraw/zinc/09/37/15/183093715.db2.gz DBJOIKNSKBZYCD-NSHDSACASA-N 0 0 316.354 0.781 50 0 DCAARN O=S(=O)(c1ccc(CN2CCOCC2)o1)N1CCCC1 ZINC000040536484 183095660 /nfs/dbraw/zinc/09/56/60/183095660.db2.gz ZLPAHNOZZDMERQ-UHFFFAOYSA-N 0 0 300.380 0.896 50 0 DCAARN O=C(Cn1cc(Br)ccc1=O)NC[C@@H]1CCCO1 ZINC000040457390 183069133 /nfs/dbraw/zinc/06/91/33/183069133.db2.gz PMMUPPCXMLZSHQ-JTQLQIEISA-N 0 0 315.167 0.906 50 0 DCAARN COCC(=O)N1CCN(C(=O)Cc2ccc(OC)cc2)CC1 ZINC000040542342 183098354 /nfs/dbraw/zinc/09/83/54/183098354.db2.gz MUENMOGPGKAQCQ-UHFFFAOYSA-N 0 0 306.362 0.555 50 0 DCAARN Cn1c(=O)c2cc(NC(=O)c3cccs3)cnc2n(C)c1=O ZINC000040817938 183137269 /nfs/dbraw/zinc/13/72/69/183137269.db2.gz JILQLSDXBDCQCY-UHFFFAOYSA-N 0 0 316.342 0.946 50 0 DCAARN CC[C@@H](C)NC(=O)Cn1nc(C(=O)N2CCCC2)ccc1=O ZINC000041255617 183181519 /nfs/dbraw/zinc/18/15/19/183181519.db2.gz NTHHSSMKBAIRNG-LLVKDONJSA-N 0 0 306.366 0.394 50 0 DCAARN COCCNC(=O)CN1CCC(C(=O)N2CCCCC2)CC1 ZINC000041106524 183165757 /nfs/dbraw/zinc/16/57/57/183165757.db2.gz XPHBIJXHLIIXBC-UHFFFAOYSA-N 0 0 311.426 0.474 50 0 DCAARN CC(=O)N1CCC(C(=O)NCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000042032007 183230019 /nfs/dbraw/zinc/23/00/19/183230019.db2.gz WCUVUBSNBVWIGR-STQMWFEESA-N 0 0 311.426 0.470 50 0 DCAARN Cc1nc(CN2CCN(C(=O)[C@H](C)n3cncn3)CC2)cs1 ZINC000042360694 183258334 /nfs/dbraw/zinc/25/83/34/183258334.db2.gz HRTDLNMGTMMXBI-NSHDSACASA-N 0 0 320.422 0.948 50 0 DCAARN COC(=O)c1sccc1S(=O)(=O)NCc1nc(C)no1 ZINC000042383347 183262487 /nfs/dbraw/zinc/26/24/87/183262487.db2.gz KEJFKTGSMDTBIC-UHFFFAOYSA-N 0 0 317.348 0.705 50 0 DCAARN NS(=O)(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000042634016 183292488 /nfs/dbraw/zinc/29/24/88/183292488.db2.gz ZYAMTNZNXOMHIV-UHFFFAOYSA-N 0 0 307.778 0.800 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CC(F)(F)F ZINC000042723755 183302016 /nfs/dbraw/zinc/30/20/16/183302016.db2.gz RGITVKBJXZMBQU-QMMMGPOBSA-N 0 0 302.318 0.869 50 0 DCAARN C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCN(CCO)CC1 ZINC000043305543 183353070 /nfs/dbraw/zinc/35/30/70/183353070.db2.gz RPIHECDHKZEAMG-HNNXBMFYSA-N 0 0 305.422 0.643 50 0 DCAARN CN1C[C@H](C(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1=O ZINC000043083055 183335399 /nfs/dbraw/zinc/33/53/99/183335399.db2.gz ZWJBORHOTJBIBE-LLVKDONJSA-N 0 0 310.375 0.185 50 0 DCAARN NC(=O)CN1CCC(NC(=O)c2cnc3ccccc3n2)CC1 ZINC000043745772 183384050 /nfs/dbraw/zinc/38/40/50/183384050.db2.gz QAFMMXKCJJXPNX-UHFFFAOYSA-N 0 0 313.361 0.309 50 0 DCAARN CCOC(=O)C[C@@H](NC(=O)c1ccc(N)cc1)C(=O)OCC ZINC000044125295 183395773 /nfs/dbraw/zinc/39/57/73/183395773.db2.gz NFYBFXGDBKRYRE-GFCCVEGCSA-N 0 0 308.334 0.884 50 0 DCAARN Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@@H]3O)ccc12 ZINC000044170112 183397270 /nfs/dbraw/zinc/39/72/70/183397270.db2.gz CQKHENXHLAUMBH-XBGYOGMLSA-N 0 0 322.313 0.308 50 0 DCAARN COCCNC(=O)N1CCN(CC(=O)c2cccs2)CC1 ZINC000044214090 183398827 /nfs/dbraw/zinc/39/88/27/183398827.db2.gz INTAICGZEGSLTA-UHFFFAOYSA-N 0 0 311.407 0.904 50 0 DCAARN CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000044718049 183434495 /nfs/dbraw/zinc/43/44/95/183434495.db2.gz QQNASPTUURILGH-ZDUSSCGKSA-N 0 0 307.394 0.468 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1cccnc1N1CCCC1 ZINC000044721663 183435416 /nfs/dbraw/zinc/43/54/16/183435416.db2.gz XBDZIVPJFQDTEI-GFCCVEGCSA-N 0 0 323.418 0.846 50 0 DCAARN Cn1c2ncn(Cc3nc4ccccc4[nH]3)c2c(=O)n(C)c1=O ZINC000044906772 183453781 /nfs/dbraw/zinc/45/37/81/183453781.db2.gz LHVOLTNLOIIIGE-UHFFFAOYSA-N 0 0 310.317 0.358 50 0 DCAARN COc1cccc(S(=O)(=O)[C@@H](C)C(=O)N2CCOCC2)c1 ZINC000044947718 183464567 /nfs/dbraw/zinc/46/45/67/183464567.db2.gz UTOGIHWXEMDDPS-NSHDSACASA-N 0 0 313.375 0.716 50 0 DCAARN Cc1ccccc1CC(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000044894574 183450628 /nfs/dbraw/zinc/45/06/28/183450628.db2.gz RQZBBSWLSIIHEU-UHFFFAOYSA-N 0 0 301.346 0.738 50 0 DCAARN Cc1cc(CN2CCN(C(=O)NC[C@@H]3CCOC3)CC2)on1 ZINC000047067925 183580082 /nfs/dbraw/zinc/58/00/82/183580082.db2.gz KSBPWRMPKUKDGR-ZDUSSCGKSA-N 0 0 308.382 0.847 50 0 DCAARN Cc1ccccc1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000048345548 183648485 /nfs/dbraw/zinc/64/84/85/183648485.db2.gz UBWGMGWEXHRTNY-UHFFFAOYSA-N 0 0 312.329 0.625 50 0 DCAARN CS(=O)(=O)NCCNC(=O)/C=C\c1c(F)cccc1F ZINC000056645369 184017334 /nfs/dbraw/zinc/01/73/34/184017334.db2.gz QMNOGHTYCIMTNK-WAYWQWQTSA-N 0 0 304.318 0.643 50 0 DCAARN Cc1nc(-c2ncccn2)sc1C(=O)N1CCNC(=O)C1 ZINC000056114220 184005401 /nfs/dbraw/zinc/00/54/01/184005401.db2.gz LASPGGNCKPGVMT-UHFFFAOYSA-N 0 0 303.347 0.481 50 0 DCAARN COc1ccc(CN(C(=O)CNS(C)(=O)=O)C2CC2)cc1 ZINC000057039788 184025301 /nfs/dbraw/zinc/02/53/01/184025301.db2.gz MZGSKJBYFBHTQA-UHFFFAOYSA-N 0 0 312.391 0.735 50 0 DCAARN Cc1ccc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc1 ZINC000058225634 184090262 /nfs/dbraw/zinc/09/02/62/184090262.db2.gz XYCMRKATITXHGP-SNVBAGLBSA-N 0 0 300.405 0.785 50 0 DCAARN Cc1ccccc1-c1noc(=O)n1CC(=O)N1CCOCC1 ZINC000058280114 184098834 /nfs/dbraw/zinc/09/88/34/184098834.db2.gz PXUGYIYADZGNSR-UHFFFAOYSA-N 0 0 303.318 0.671 50 0 DCAARN CCCNC(=O)NC(=O)Cn1c(=O)onc1-c1cccs1 ZINC000058289363 184100588 /nfs/dbraw/zinc/10/05/88/184100588.db2.gz QJPYMRDHADUAFX-UHFFFAOYSA-N 0 0 310.335 0.801 50 0 DCAARN CCNC(=O)NC(=O)CSc1nnnn1CC(F)(F)F ZINC000058289894 184100731 /nfs/dbraw/zinc/10/07/31/184100731.db2.gz IRGONRBOMIBFCQ-UHFFFAOYSA-N 0 0 312.277 0.173 50 0 DCAARN CCCNC(=O)NC(=O)Cn1c(=O)onc1-c1ccccn1 ZINC000058289892 184100838 /nfs/dbraw/zinc/10/08/38/184100838.db2.gz LLLMSWHZWXPSLC-UHFFFAOYSA-N 0 0 305.294 0.134 50 0 DCAARN CCN(c1ccc(C(=O)NCCS(N)(=O)=O)cc1)C(C)C ZINC000058420993 184116096 /nfs/dbraw/zinc/11/60/96/184116096.db2.gz KFIJLCMBLIOWCC-UHFFFAOYSA-N 0 0 313.423 0.940 50 0 DCAARN CCS(=O)(=O)NCCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000064969492 184307338 /nfs/dbraw/zinc/30/73/38/184307338.db2.gz KFHWOBVALZKIPI-UHFFFAOYSA-N 0 0 310.379 0.962 50 0 DCAARN COCCNS(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cs1 ZINC000065119362 184311305 /nfs/dbraw/zinc/31/13/05/184311305.db2.gz KMDDWIMCFKSSGG-UHFFFAOYSA-N 0 0 315.376 0.423 50 0 DCAARN CN1CCN(Cc2ccc(C(=O)N3CCCC3)cc2)C(=O)C1=O ZINC000065129754 184311313 /nfs/dbraw/zinc/31/13/13/184311313.db2.gz YZIOKHXMOLEULI-UHFFFAOYSA-N 0 0 315.373 0.723 50 0 DCAARN CCN1CCN(C(=O)c2c(C)oc3ncn(C)c(=O)c32)CC1 ZINC000065329473 184325112 /nfs/dbraw/zinc/32/51/12/184325112.db2.gz QANPKNIPLHUMJT-UHFFFAOYSA-N 0 0 304.350 0.613 50 0 DCAARN O=C(NCc1ccc(-n2cncn2)nc1)NC[C@H]1CCCO1 ZINC000065410350 184340057 /nfs/dbraw/zinc/34/00/57/184340057.db2.gz RPBZNOADZYPABZ-GFCCVEGCSA-N 0 0 302.338 0.641 50 0 DCAARN COC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000065415611 184340515 /nfs/dbraw/zinc/34/05/15/184340515.db2.gz DRMGMPODCMTPKE-SSDOTTSWSA-N 0 0 310.272 0.465 50 0 DCAARN Cn1cnnc1[C@H]1CCCN(C(=O)NCCCn2ccnc2)C1 ZINC000065449294 184346051 /nfs/dbraw/zinc/34/60/51/184346051.db2.gz AHEPLOIDJKKVTG-ZDUSSCGKSA-N 0 0 317.397 0.991 50 0 DCAARN CC(C)c1csc(C(=O)N[C@@H]2C[C@H]3C(=O)NCC(=O)N3C2)n1 ZINC000065464631 184349313 /nfs/dbraw/zinc/34/93/13/184349313.db2.gz FOLFDWKRRTUQNY-SCZZXKLOSA-N 0 0 322.390 0.096 50 0 DCAARN CC(=O)c1ccc(C(=O)N2CCN3CCN(C)C(=O)[C@@H]3C2)s1 ZINC000065469857 184350900 /nfs/dbraw/zinc/35/09/00/184350900.db2.gz FPANHORREJYAAN-NSHDSACASA-N 0 0 321.402 0.549 50 0 DCAARN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000065493606 184354077 /nfs/dbraw/zinc/35/40/77/184354077.db2.gz YATDDJNPIHGIIX-STQMWFEESA-N 0 0 319.409 0.843 50 0 DCAARN Cc1nc2c(c(=O)n1C)CCN(C(=O)NCc1ccco1)CC2 ZINC000065405374 184337924 /nfs/dbraw/zinc/33/79/24/184337924.db2.gz DPDRPKNDHFKIJD-UHFFFAOYSA-N 0 0 316.361 0.992 50 0 DCAARN COCc1nc(C(=O)N2CCC(N3CCNC3=O)CC2)cs1 ZINC000065553183 184365286 /nfs/dbraw/zinc/36/52/86/184365286.db2.gz QTLSGJXDPVHASE-UHFFFAOYSA-N 0 0 324.406 0.919 50 0 DCAARN Cn1nccc1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000065498110 184355575 /nfs/dbraw/zinc/35/55/75/184355575.db2.gz LSNPWKKLSVNFJN-UHFFFAOYSA-N 0 0 319.365 0.956 50 0 DCAARN Cc1cc(C)c(OCC(=O)NCCCS(N)(=O)=O)c(C)c1 ZINC000069455609 184516441 /nfs/dbraw/zinc/51/64/41/184516441.db2.gz MLGGITWMNOWKOA-UHFFFAOYSA-N 0 0 314.407 0.785 50 0 DCAARN Cc1cnn(C[C@H]2CN(CC(=O)Nc3nncs3)CCO2)c1 ZINC000069491924 184519968 /nfs/dbraw/zinc/51/99/68/184519968.db2.gz VLFUSBSMQLKUAT-LLVKDONJSA-N 0 0 322.394 0.383 50 0 DCAARN COCC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000390835142 533064365 /nfs/dbraw/zinc/06/43/65/533064365.db2.gz DODQRUNMLMMIBD-UHFFFAOYSA-N 0 0 308.306 0.006 50 0 DCAARN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000058658598 296394537 /nfs/dbraw/zinc/39/45/37/296394537.db2.gz WHEOIXQWYFVLDZ-VXGBXAGGSA-N 0 0 303.428 0.516 50 0 DCAARN O=c1c2ccccc2cnn1CN1CCN(c2ncccn2)CC1 ZINC000014250356 285210542 /nfs/dbraw/zinc/21/05/42/285210542.db2.gz NGVOSDJFZSWAKK-UHFFFAOYSA-N 0 0 322.372 0.966 50 0 DCAARN CCOC(=O)C1=C(CN2C[C@H](C)OC[C@H]2C)NC(=O)N[C@H]1C ZINC000252457411 256610907 /nfs/dbraw/zinc/61/09/07/256610907.db2.gz GMQLJFHVJCXQHU-VWYCJHECSA-N 0 0 311.382 0.614 50 0 DCAARN O=C(CCn1cnnn1)Nc1nnc(CCC2CCCC2)[nH]1 ZINC000524732310 257213867 /nfs/dbraw/zinc/21/38/67/257213867.db2.gz JLMSHYCCEJXHAI-UHFFFAOYSA-N 0 0 304.358 0.943 50 0 DCAARN Cn1cnc(CNC(=O)CC2(Cn3cnnn3)CCCCC2)n1 ZINC000524733283 257214111 /nfs/dbraw/zinc/21/41/11/257214111.db2.gz CZOSHSYHJOHBPG-UHFFFAOYSA-N 0 0 318.385 0.459 50 0 DCAARN OCCOCCN(CCO)c1ccnc(-c2ccccc2)n1 ZINC000413452389 257235300 /nfs/dbraw/zinc/23/53/00/257235300.db2.gz HFKSKLMJXAAWBU-UHFFFAOYSA-N 0 0 303.362 0.951 50 0 DCAARN O=C(NCCn1cccn1)N1CCC2(CC1)OCCC[C@H]2O ZINC000426730637 257243095 /nfs/dbraw/zinc/24/30/95/257243095.db2.gz ZFFQJXUSMPAESV-CYBMUJFWSA-N 0 0 308.382 0.599 50 0 DCAARN O=C(CN1CCOC1=O)N1CCN(c2ncccc2Cl)CC1 ZINC000426628893 257244882 /nfs/dbraw/zinc/24/48/82/257244882.db2.gz WNFXDZRFRNVBIR-UHFFFAOYSA-N 0 0 324.768 0.836 50 0 DCAARN O=C(Cc1n[nH]c(=O)[n-]1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426618413 257245035 /nfs/dbraw/zinc/24/50/35/257245035.db2.gz WGFZDOUYDCDPQS-GFCCVEGCSA-N 0 0 301.350 0.444 50 0 DCAARN O=C([C@H]1CCCCn2nnnc21)N1CCC(c2ncon2)CC1 ZINC000426640337 257245235 /nfs/dbraw/zinc/24/52/35/257245235.db2.gz CSZQLVAARDZUEN-NSHDSACASA-N 0 0 317.353 0.730 50 0 DCAARN CC1(C)SC[C@H](C(=O)NCCCOc2cccnc2)NC1=O ZINC000426547608 257246618 /nfs/dbraw/zinc/24/66/18/257246618.db2.gz KPDFOLOQLPEVNA-GFCCVEGCSA-N 0 0 323.418 0.977 50 0 DCAARN Cc1cccc(CN2CCN(C(=O)Cn3ccnn3)CC2=O)c1 ZINC000426523466 257247867 /nfs/dbraw/zinc/24/78/67/257247867.db2.gz MXFFSYJLOLUGSO-UHFFFAOYSA-N 0 0 313.361 0.458 50 0 DCAARN O=C(CCn1cnnc1)N1CCC[C@@H](c2ccn(CCO)n2)C1 ZINC000426509503 257248884 /nfs/dbraw/zinc/24/88/84/257248884.db2.gz PYMAORXJPBPTPS-CYBMUJFWSA-N 0 0 318.381 0.263 50 0 DCAARN Cc1c(C(=O)NCCn2ccnn2)sc2[nH]cnc(=O)c12 ZINC000426434582 257249971 /nfs/dbraw/zinc/24/99/71/257249971.db2.gz WQLMGDKXZNELFC-UHFFFAOYSA-N 0 0 304.335 0.315 50 0 DCAARN CN1CCN(CC(=O)N2CC(Oc3ccccc3F)C2)C1=O ZINC000426420356 257250793 /nfs/dbraw/zinc/25/07/93/257250793.db2.gz PSAOZTTZJQVBSP-UHFFFAOYSA-N 0 0 307.325 0.783 50 0 DCAARN O=C(NCCc1cn[nH]n1)[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000426395912 257252542 /nfs/dbraw/zinc/25/25/42/257252542.db2.gz FYVUZMDYGGHRIG-NSHDSACASA-N 0 0 305.382 0.645 50 0 DCAARN Cc1ccc(N2C[C@@H](NC(=O)CN3CCOC3=O)CC2=O)cc1 ZINC000426388160 257252652 /nfs/dbraw/zinc/25/26/52/257252652.db2.gz MSDZDUCAIZXZDF-LBPRGKRZSA-N 0 0 317.345 0.669 50 0 DCAARN CN1C(=O)COc2ccc(C(=O)NCCc3cc[nH]n3)cc21 ZINC000426389492 257252734 /nfs/dbraw/zinc/25/27/34/257252734.db2.gz RXBXVZOSKWNGBX-UHFFFAOYSA-N 0 0 300.318 0.737 50 0 DCAARN OCCNc1nc(NCCC(F)(F)F)cc([C@@H]2CCOC2)n1 ZINC000426389191 257252751 /nfs/dbraw/zinc/25/27/51/257252751.db2.gz BGNULZXSBISICO-SECBINFHSA-N 0 0 320.315 0.593 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000252486715 257258516 /nfs/dbraw/zinc/25/85/16/257258516.db2.gz MLONPSOHYVWXDL-NDBYEHHHSA-N 0 0 300.424 0.963 50 0 DCAARN C[C@@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)C[C@@H](C)O1 ZINC000071812218 184849024 /nfs/dbraw/zinc/84/90/24/184849024.db2.gz WSWHRMDKKDPVNR-HTQZYQBOSA-N 0 0 304.393 0.645 50 0 DCAARN CS(=O)(=O)NCCNC(=O)CCn1cnc2ccccc21 ZINC000298219850 533396753 /nfs/dbraw/zinc/39/67/53/533396753.db2.gz VNJHHWBJEKALPU-UHFFFAOYSA-N 0 0 310.379 0.092 50 0 DCAARN CS(=O)(=O)c1nccc(C(=O)NCCc2ccsc2)n1 ZINC000408520242 533468605 /nfs/dbraw/zinc/46/86/05/533468605.db2.gz HHJJQIPZJYEOKH-UHFFFAOYSA-N 0 0 311.388 0.914 50 0 DCAARN COC(=O)C[C@@H]1CN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CCO1 ZINC000408524799 533647529 /nfs/dbraw/zinc/64/75/29/533647529.db2.gz ZLCKCUPZTOSEGQ-AAVRWANBSA-N 0 0 310.394 0.698 50 0 DCAARN Cc1nnsc1CNC(=O)N1CCN(c2cnccn2)CC1 ZINC000291735005 131596094 /nfs/dbraw/zinc/59/60/94/131596094.db2.gz AEJDXWJWDHCIIS-UHFFFAOYSA-N 0 0 319.394 0.668 50 0 DCAARN CCNC(=O)CN1C(=O)COc2ccc(C(=O)N(C)C)cc21 ZINC000035376975 285508142 /nfs/dbraw/zinc/50/81/42/285508142.db2.gz DCSPAYJAOSFBGK-UHFFFAOYSA-N 0 0 305.334 0.250 50 0 DCAARN COC(=O)c1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000032912483 292013190 /nfs/dbraw/zinc/01/31/90/292013190.db2.gz FJJHHUVYWKTYLN-CMPLNLGQSA-N 0 0 309.343 0.623 50 0 DCAARN CCCCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000002503552 134450485 /nfs/dbraw/zinc/45/04/85/134450485.db2.gz UOIFPWWLEFSPAM-UHFFFAOYSA-N 0 0 323.397 0.724 50 0 DCAARN NC(=O)[C@H]1CN(C(=O)COC(=O)C2CCC2)c2ccccc2O1 ZINC000029274080 134673431 /nfs/dbraw/zinc/67/34/31/134673431.db2.gz YZNABHQOCRQODH-CYBMUJFWSA-N 0 0 318.329 0.609 50 0 DCAARN CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCCC3)cc21 ZINC000040288156 134710769 /nfs/dbraw/zinc/71/07/69/134710769.db2.gz AQWASWOQCMJEOR-UHFFFAOYSA-N 0 0 303.318 0.603 50 0 DCAARN CCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008315713 395684361 /nfs/dbraw/zinc/68/43/61/395684361.db2.gz HFKXYWCLDXYACC-UHFFFAOYSA-N 0 0 312.391 0.734 50 0 DCAARN Cc1noc(C)c1C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O ZINC000008562992 395684786 /nfs/dbraw/zinc/68/47/86/395684786.db2.gz LTZVWGPTOXANSY-JTQLQIEISA-N 0 0 309.322 0.315 50 0 DCAARN CNC(=O)c1cccc(NC(=O)[C@H](CCSC)NC(N)=O)c1 ZINC000008726430 395684851 /nfs/dbraw/zinc/68/48/51/395684851.db2.gz TVJGCADQUWDJEG-NSHDSACASA-N 0 0 324.406 0.775 50 0 DCAARN COc1ccc([C@@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1OC ZINC000009011843 395685054 /nfs/dbraw/zinc/68/50/54/395685054.db2.gz DKYOIAYZZLMQRA-QMMMGPOBSA-N 0 0 316.317 0.843 50 0 DCAARN COc1ccc(OCCN(C)CC(=O)N2CCNC2=O)cc1 ZINC000009836696 395685595 /nfs/dbraw/zinc/68/55/95/395685595.db2.gz MGLMNSLPBIAAOY-UHFFFAOYSA-N 0 0 307.350 0.558 50 0 DCAARN CCOC(=O)CSc1nnc(-c2cccnc2)n1CCO ZINC000010312616 395686066 /nfs/dbraw/zinc/68/60/66/395686066.db2.gz QHLWRURDNVKLCC-UHFFFAOYSA-N 0 0 308.363 0.988 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)CCO1 ZINC000011229694 395686428 /nfs/dbraw/zinc/68/64/28/395686428.db2.gz PFBFIYWIJZCDSF-SSDOTTSWSA-N 0 0 306.149 0.797 50 0 DCAARN O=C(NCCn1ncc2c1ncnc2N1CCCC1)C1CC1 ZINC000011665910 395686704 /nfs/dbraw/zinc/68/67/04/395686704.db2.gz NHFUGOACZTUWFD-UHFFFAOYSA-N 0 0 300.366 0.953 50 0 DCAARN CN(C)c1ccc(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011990886 395686999 /nfs/dbraw/zinc/68/69/99/395686999.db2.gz JLEJJYCPUCXXIP-LBPRGKRZSA-N 0 0 318.420 0.681 50 0 DCAARN COc1ccc(Cl)cc1-n1nnc(C(=O)NCCO)c1C ZINC000012274281 395687279 /nfs/dbraw/zinc/68/72/79/395687279.db2.gz IDZFXTCMWRCLCI-UHFFFAOYSA-N 0 0 310.741 0.960 50 0 DCAARN COCCC(=O)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000012587305 395687927 /nfs/dbraw/zinc/68/79/27/395687927.db2.gz VHKXXZLGWZNWFD-AWEZNQCLSA-N 0 0 302.374 0.907 50 0 DCAARN COC(=O)Cc1ccc(OCc2nc(N)nc(N(C)C)n2)cc1 ZINC000012789560 395688034 /nfs/dbraw/zinc/68/80/34/395688034.db2.gz NFXSXNPJEQWBKK-UHFFFAOYSA-N 0 0 317.349 0.814 50 0 DCAARN COC(=O)c1cnc(NC(=O)c2nc3nccc(C)n3n2)s1 ZINC000012769970 395688036 /nfs/dbraw/zinc/68/80/36/395688036.db2.gz CIGMCRJVMFTCHJ-UHFFFAOYSA-N 0 0 318.318 0.928 50 0 DCAARN C[C@]1(NC(=O)CCNC(=O)c2ccccc2)CCS(=O)(=O)C1 ZINC000012904929 395688178 /nfs/dbraw/zinc/68/81/78/395688178.db2.gz NWTHUMLKURGWTE-HNNXBMFYSA-N 0 0 324.402 0.500 50 0 DCAARN Cc1cc(C)c(S(=O)(=O)N2CCN(CCO)CC2)cc1C ZINC000012998502 395688263 /nfs/dbraw/zinc/68/82/63/395688263.db2.gz FQSGPIMMKBVIHA-UHFFFAOYSA-N 0 0 312.435 0.910 50 0 DCAARN O=C(CN1CCO[C@H](c2ccc(F)cc2)C1)N1CCNC1=O ZINC000013004231 395688339 /nfs/dbraw/zinc/68/83/39/395688339.db2.gz ZINAVFUBFQRETI-ZDUSSCGKSA-N 0 0 307.325 0.751 50 0 DCAARN Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ncn[nH]1)C(C)C ZINC000012974052 395688350 /nfs/dbraw/zinc/68/83/50/395688350.db2.gz FHBBGHQUTDQHFB-LBPRGKRZSA-N 0 0 301.350 0.928 50 0 DCAARN C[C@H]1Cc2ccccc2N1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000013039202 395688444 /nfs/dbraw/zinc/68/84/44/395688444.db2.gz PDQUWKHJGGEGEP-WCQYABFASA-N 0 0 308.403 0.741 50 0 DCAARN CCS(=O)(=O)N1C[C@@H](C(=O)NC2CC2)Oc2ccccc21 ZINC000013677179 395688777 /nfs/dbraw/zinc/68/87/77/395688777.db2.gz BEQVTIGAGQHFGR-ZDUSSCGKSA-N 0 0 310.375 0.882 50 0 DCAARN O=C(CSc1ccc(NC(=O)C2CC2)nn1)N1CCOCC1 ZINC000013701950 395688794 /nfs/dbraw/zinc/68/87/94/395688794.db2.gz UWLNXWIMJSCTBC-UHFFFAOYSA-N 0 0 322.390 0.776 50 0 DCAARN Cn1c2cn(CCO)c(-c3ccccc3F)c2c(=O)n(C)c1=O ZINC000015081862 395689803 /nfs/dbraw/zinc/68/98/03/395689803.db2.gz QUQAACHSXFFNFB-UHFFFAOYSA-N 0 0 317.320 0.837 50 0 DCAARN CN1CCN(CC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000019881340 395691105 /nfs/dbraw/zinc/69/11/05/395691105.db2.gz WNKXJGKFHRDCOZ-UHFFFAOYSA-N 0 0 302.422 0.583 50 0 DCAARN O=S1(=O)C[C@H](O)[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020650552 395691365 /nfs/dbraw/zinc/69/13/65/395691365.db2.gz STXMHHKAALOWCT-KBPBESRZSA-N 0 0 314.382 0.106 50 0 DCAARN Cc1cnc(C(=O)NCc2ccnc(N3CCOCC3)c2)cn1 ZINC000025290243 395693352 /nfs/dbraw/zinc/69/33/52/395693352.db2.gz DFRXCHISGWUGJO-UHFFFAOYSA-N 0 0 313.361 0.947 50 0 DCAARN CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000000120059 395679871 /nfs/dbraw/zinc/67/98/71/395679871.db2.gz GWVISXFHJIEAGX-UHFFFAOYSA-N 0 0 322.383 0.092 50 0 DCAARN CS(=O)(=O)N(CC(N)=O)c1ccccc1Br ZINC000000241907 395680018 /nfs/dbraw/zinc/68/00/18/395680018.db2.gz REWXCSFDWNKQAN-UHFFFAOYSA-N 0 0 307.169 0.700 50 0 DCAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCC1 ZINC000000306860 395680150 /nfs/dbraw/zinc/68/01/50/395680150.db2.gz XBPGLGUQOQBHKL-UHFFFAOYSA-N 0 0 324.402 0.944 50 0 DCAARN CCOC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000000339388 395680156 /nfs/dbraw/zinc/68/01/56/395680156.db2.gz SEQBOUSUBTZRBQ-UHFFFAOYSA-N 0 0 318.333 0.760 50 0 DCAARN O=C([O-])CC[n+]1ccc(-c2cc[n+](CCC(=O)[O-])cc2)cc1 ZINC000000357825 395680306 /nfs/dbraw/zinc/68/03/06/395680306.db2.gz QXKSDUGRVYDPGN-UHFFFAOYSA-P 0 0 302.330 0.878 50 0 DCAARN O=C1c2ccccc2C(=O)N1n1c(=O)[nH]c2ccccc2c1=O ZINC000000467593 395680421 /nfs/dbraw/zinc/68/04/21/395680421.db2.gz VYEYBDRZSIHJNP-UHFFFAOYSA-N 0 0 307.265 0.622 50 0 DCAARN Cn1c2nc(N)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000000863351 395680719 /nfs/dbraw/zinc/68/07/19/395680719.db2.gz FOVUZMAJAGXCOH-UHFFFAOYSA-N 0 0 319.752 0.718 50 0 DCAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(C)n2N)cc1 ZINC000001424538 395680748 /nfs/dbraw/zinc/68/07/48/395680748.db2.gz NWLBQKUIGWWPBU-UHFFFAOYSA-N 0 0 320.378 0.990 50 0 DCAARN C[C@@H](CNC(=O)c1cncc(O)c1)NC(=O)c1cncc(O)c1 ZINC000002099978 395681250 /nfs/dbraw/zinc/68/12/50/395681250.db2.gz LMMZHPWDSHTAMF-VIFPVBQESA-N 0 0 316.317 0.436 50 0 biogenic DCAARN Cc1ccc(S(=O)(=O)NC[C@@H](C)NS(C)(=O)=O)cc1 ZINC000002848339 395681916 /nfs/dbraw/zinc/68/19/16/395681916.db2.gz BCPXBSZHATYLKX-SNVBAGLBSA-N 0 0 306.409 0.211 50 0 DCAARN CSCC[C@@H]1C(=O)N(N)[C@]2(C)CC(C)(C)NC(=S)N12 ZINC000002927902 395682146 /nfs/dbraw/zinc/68/21/46/395682146.db2.gz PGHZXVVGWZXWKS-PRHODGIISA-N 0 0 302.469 0.899 50 0 DCAARN O=C(COC(=O)[C@@H]1COc2ccccc2O1)N1CCCC1=O ZINC000003278861 395682377 /nfs/dbraw/zinc/68/23/77/395682377.db2.gz IOBVONDFDWSTJR-LBPRGKRZSA-N 0 0 305.286 0.519 50 0 DCAARN CO[C@H]1O[C@H](CF)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005495629 395682737 /nfs/dbraw/zinc/68/27/37/395682737.db2.gz CMWVMIMZFZXIIK-FHUSYTEZSA-N 0 0 322.285 0.122 50 0 DCAARN COC(=O)[C@H](CC(C)C)NC(=O)CSc1nc(N)n[nH]1 ZINC000007897261 395683648 /nfs/dbraw/zinc/68/36/48/395683648.db2.gz HLBOGJXSRPHSDR-ZETCQYMHSA-N 0 0 301.372 0.183 50 0 DCAARN O=C(C1=NNC(=O)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000007954817 395683760 /nfs/dbraw/zinc/68/37/60/395683760.db2.gz FAROKIIPCQSAMG-UHFFFAOYSA-N 0 0 304.325 0.740 50 0 DCAARN C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1Cc2ccccc2C1=O ZINC000085432554 395700471 /nfs/dbraw/zinc/70/04/71/395700471.db2.gz ODOXBLGVCISOFR-CMPLNLGQSA-N 0 0 322.386 0.334 50 0 DCAARN Cn1cc(CC(=O)N[C@@H]2C[C@@H](O)[C@H](CO)C2)c2ccccc21 ZINC000085468462 395701046 /nfs/dbraw/zinc/70/10/46/395701046.db2.gz DWANSIOHSGWLFP-HEHGZKQESA-N 0 0 302.374 0.969 50 0 DCAARN C[C@H](O)CN1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 ZINC000085467244 395701269 /nfs/dbraw/zinc/70/12/69/395701269.db2.gz QYJIDEOQQLHOSV-JTQLQIEISA-N 0 0 320.361 0.652 50 0 DCAARN Cc1cc(C)n2ncc(C(=O)NC[C@H](C)N3CCOCC3)c2n1 ZINC000029963624 395701554 /nfs/dbraw/zinc/70/15/54/395701554.db2.gz FXAUCJOCAYQJMP-ZDUSSCGKSA-N 0 0 317.393 0.797 50 0 DCAARN CCN1C(=O)C[C@H](N(C)Cc2ccc(C(=O)NC)cc2)C1=O ZINC000030518020 395702882 /nfs/dbraw/zinc/70/28/82/395702882.db2.gz AIPSNDHBZWNCJZ-ZDUSSCGKSA-N 0 0 303.362 0.625 50 0 DCAARN CN(C)c1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cn1 ZINC000030571618 395702943 /nfs/dbraw/zinc/70/29/43/395702943.db2.gz GPRMRHISGWMJDA-LLVKDONJSA-N 0 0 312.395 0.510 50 0 DCAARN CC(=O)N1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000030981605 395705228 /nfs/dbraw/zinc/70/52/28/395705228.db2.gz VEBXDCSSSBTMIT-UHFFFAOYSA-N 0 0 305.334 0.789 50 0 DCAARN Cc1nc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)no1 ZINC000031709747 395707775 /nfs/dbraw/zinc/70/77/75/395707775.db2.gz ZPGSYZYTKGDNSJ-UHFFFAOYSA-N 0 0 324.362 0.373 50 0 DCAARN C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC(O)CC1 ZINC000032759379 395712612 /nfs/dbraw/zinc/71/26/12/395712612.db2.gz BOCVBMLAKOPDHI-NSHDSACASA-N 0 0 303.362 0.817 50 0 DCAARN Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H]1CCCO1 ZINC000032716565 395712722 /nfs/dbraw/zinc/71/27/22/395712722.db2.gz HFRDOCQDPUYVSY-GFCCVEGCSA-N 0 0 303.366 0.969 50 0 DCAARN COc1ccc(C(=O)N(C)OC)cc1S(=O)(=O)NC1CC1 ZINC000032779837 395713439 /nfs/dbraw/zinc/71/34/39/395713439.db2.gz VMPZTLUAUHIVOZ-UHFFFAOYSA-N 0 0 314.363 0.769 50 0 DCAARN CCCCN(C)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000032909669 395714096 /nfs/dbraw/zinc/71/40/96/395714096.db2.gz OASFDVAQEBJQPD-UHFFFAOYSA-N 0 0 317.397 0.994 50 0 DCAARN Cn1cc(S(=O)(=O)NCC(=O)NC2CCCCC2)cn1 ZINC000032913258 395714201 /nfs/dbraw/zinc/71/42/01/395714201.db2.gz IUYWJKKEODTALF-UHFFFAOYSA-N 0 0 300.384 0.147 50 0 DCAARN Cc1c(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)cnn1C ZINC000032831849 395714390 /nfs/dbraw/zinc/71/43/90/395714390.db2.gz LVHYARBXRDBGMA-UHFFFAOYSA-N 0 0 322.390 0.447 50 0 DCAARN COc1cccc(C(N)=O)c1OCC(=O)NC(=O)NC(C)C ZINC000032958239 395715182 /nfs/dbraw/zinc/71/51/82/395715182.db2.gz UXQGHIPCJWVSRF-UHFFFAOYSA-N 0 0 309.322 0.407 50 0 DCAARN C[C@H](CNC(=O)c1ccc(-n2cncn2)cc1)N1CCOCC1 ZINC000033081745 395716201 /nfs/dbraw/zinc/71/62/01/395716201.db2.gz OEYAVYDKJUAMOE-CYBMUJFWSA-N 0 0 315.377 0.718 50 0 DCAARN Cn1c(=O)ccn(CC(=O)N(Cc2ccco2)C2CC2)c1=O ZINC000033166976 395716537 /nfs/dbraw/zinc/71/65/37/395716537.db2.gz OVUMZRXSCZLNMP-UHFFFAOYSA-N 0 0 303.318 0.331 50 0 DCAARN Cc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)N(C)C)cc1 ZINC000033269454 395716777 /nfs/dbraw/zinc/71/67/77/395716777.db2.gz XPZVNSAMAVJFAE-UHFFFAOYSA-N 0 0 311.407 0.886 50 0 DCAARN NC(=O)[C@H]1CCCCN1CN1C(=O)NC2(CCCCCC2)C1=O ZINC000035362385 395720158 /nfs/dbraw/zinc/72/01/58/395720158.db2.gz AHJSCISGOYEDTH-GFCCVEGCSA-N 0 0 322.409 0.929 50 0 DCAARN Cc1ccc(C2=NC3(CCN(S(C)(=O)=O)CC3)NC2=O)cc1 ZINC000035432362 395720841 /nfs/dbraw/zinc/72/08/41/395720841.db2.gz LNGYMRIIRWWFDF-UHFFFAOYSA-N 0 0 321.402 0.666 50 0 DCAARN O=C(NC1CC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000035597520 395720918 /nfs/dbraw/zinc/72/09/18/395720918.db2.gz HFISGLPPGBYJQN-UHFFFAOYSA-N 0 0 300.336 0.193 50 0 DCAARN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1OC ZINC000035993532 395722002 /nfs/dbraw/zinc/72/20/02/395722002.db2.gz QJOSJAJYIAVDBH-UHFFFAOYSA-N 0 0 300.380 0.640 50 0 DCAARN CN1N=C(C(=O)Nc2ccc(N3CCOCC3)nc2)CCC1=O ZINC000026491154 395694403 /nfs/dbraw/zinc/69/44/03/395694403.db2.gz VWFNOPLFBFRNTR-UHFFFAOYSA-N 0 0 317.349 0.465 50 0 DCAARN NC(=O)CCS(=O)(=O)CCN1CCCc2cc(F)ccc21 ZINC000026623409 395694452 /nfs/dbraw/zinc/69/44/52/395694452.db2.gz KJGIDDRNMHKGJV-UHFFFAOYSA-N 0 0 314.382 0.869 50 0 DCAARN CNC(=O)NC(=O)CN(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027288478 395694779 /nfs/dbraw/zinc/69/47/79/395694779.db2.gz UOERGXCBCTYWJS-UHFFFAOYSA-N 0 0 318.377 0.466 50 0 DCAARN O=C(CCn1nnc2ccccc2c1=O)OC[C@@H]1CCCO1 ZINC000028452996 395696070 /nfs/dbraw/zinc/69/60/70/395696070.db2.gz GZFPYBFYVDENGB-NSHDSACASA-N 0 0 303.318 0.904 50 0 DCAARN O=c1c2cc(Cl)ccc2ncn1C[C@@H](O)CN1CCOCC1 ZINC000028689995 395696229 /nfs/dbraw/zinc/69/62/29/395696229.db2.gz LVJMEBQYFZYDAZ-LBPRGKRZSA-N 0 0 323.780 0.743 50 0 DCAARN O=C(c1ccc2nncn2c1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000084494164 395697934 /nfs/dbraw/zinc/69/79/34/395697934.db2.gz VSEZPIMLDGBFHW-UONOGXRCSA-N 0 0 315.377 0.401 50 0 DCAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC(C1CC1)C1CC1 ZINC000029382803 395698281 /nfs/dbraw/zinc/69/82/81/395698281.db2.gz KEWIZIKRUDLMKJ-UHFFFAOYSA-N 0 0 313.357 0.995 50 0 DCAARN CCCc1nnc([C@H]2CN(Cc3nnnn3C3CC3)CCO2)[nH]1 ZINC000084759018 395698751 /nfs/dbraw/zinc/69/87/51/395698751.db2.gz IBMHEWLVDMPZFY-LLVKDONJSA-N 0 0 318.385 0.652 50 0 DCAARN CNC(=O)NC(=O)CN1c2ccccc2[C@H](C(N)=O)C[C@H]1C ZINC000040068529 395732985 /nfs/dbraw/zinc/73/29/85/395732985.db2.gz VXBHVNOGOZAKCH-MWLCHTKSSA-N 0 0 304.350 0.310 50 0 DCAARN Nc1nc(CCC(=O)N2CCN(c3ncccn3)CC2)cs1 ZINC000041183168 395736003 /nfs/dbraw/zinc/73/60/03/395736003.db2.gz AEPUFTUQUNQHHR-UHFFFAOYSA-N 0 0 318.406 0.797 50 0 DCAARN C[C@H]1Oc2ccccc2N(CC(=O)NC[C@@H]2CCOC2)C1=O ZINC000041370324 395736948 /nfs/dbraw/zinc/73/69/48/395736948.db2.gz YRJKZQFDFZXJIV-NEPJUHHUSA-N 0 0 304.346 0.953 50 0 DCAARN Cc1c(-c2cc(C(=O)N3CC[C@@](C)(O)[C@@H](O)C3)no2)cnn1C ZINC000096180151 395746509 /nfs/dbraw/zinc/74/65/09/395746509.db2.gz WDEKMBXXIKOFRX-DZGCQCFKSA-N 0 0 320.349 0.341 50 0 DCAARN COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCO[C@@H](C)C1 ZINC000042632623 395746665 /nfs/dbraw/zinc/74/66/65/395746665.db2.gz OYQWRNXVNXNVMG-VIFPVBQESA-N 0 0 314.363 0.346 50 0 DCAARN Cn1nnnc1COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000096101303 395744405 /nfs/dbraw/zinc/74/44/05/395744405.db2.gz PEFAQGLBINFROW-ZDUSSCGKSA-N 0 0 317.349 0.698 50 0 DCAARN CN(C)S(=O)(=O)N1CC(S(=O)(=O)C2CCCCC2)C1 ZINC000096104385 395744470 /nfs/dbraw/zinc/74/44/70/395744470.db2.gz SEHMEEIEVGTRCI-UHFFFAOYSA-N 0 0 310.441 0.225 50 0 DCAARN COCCN1C[C@@H](Nc2nc3c(s2)c(C)nn3C)CC1=O ZINC000096151611 395746012 /nfs/dbraw/zinc/74/60/12/395746012.db2.gz WPKBXLYGDAGENL-VIFPVBQESA-N 0 0 309.395 0.997 50 0 DCAARN COC[C@H](C)NC(=O)Nc1cc(OC)cc(-n2cnnn2)c1 ZINC000096148387 395746169 /nfs/dbraw/zinc/74/61/69/395746169.db2.gz HAGTVMXVNPXKJU-VIFPVBQESA-N 0 0 306.326 0.827 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000096408592 395752799 /nfs/dbraw/zinc/75/27/99/395752799.db2.gz RGSCNRWJUULBPB-GFCCVEGCSA-N 0 0 300.355 0.518 50 0 DCAARN O=C(CNc1ncc(Br)cn1)N1CCOCC1 ZINC000096493908 395754209 /nfs/dbraw/zinc/75/42/09/395754209.db2.gz GUXQAVLJCFZWJD-UHFFFAOYSA-N 0 0 301.144 0.510 50 0 DCAARN O=C(NC[C@@H](CO)Cc1ccco1)c1cn2cccnc2n1 ZINC000097243918 395756643 /nfs/dbraw/zinc/75/66/43/395756643.db2.gz DFIMUVVCERLGKY-NSHDSACASA-N 0 0 300.318 0.903 50 0 DCAARN CC(=O)N1CCN(Cc2nnc(-c3ccco3)o2)C[C@@H](O)C1 ZINC000097288804 395756951 /nfs/dbraw/zinc/75/69/51/395756951.db2.gz XGDZPVWVEDODAM-LLVKDONJSA-N 0 0 306.322 0.355 50 0 DCAARN CCc1nn(C)c(OC)c1CNC(=O)N[C@H]1C(=O)NCC[C@@H]1C ZINC000193924053 395782607 /nfs/dbraw/zinc/78/26/07/395782607.db2.gz NWYAMNHVXPUSSM-JOYOIKCWSA-N 0 0 323.397 0.315 50 0 DCAARN C[C@@H](C(=O)N1CCN(C)C[C@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000107581745 395785714 /nfs/dbraw/zinc/78/57/14/395785714.db2.gz LPLKMPANGXDRTJ-NEPJUHHUSA-N 0 0 322.409 0.402 50 0 DCAARN CCn1cnnc1CNC(=O)CCNC(=O)c1ccsc1 ZINC000047021233 395786264 /nfs/dbraw/zinc/78/62/64/395786264.db2.gz SBXKCMKPQIATJR-UHFFFAOYSA-N 0 0 307.379 0.796 50 0 DCAARN Cc1nc2cc(CC(=O)N3CCN(CCO)CC3)ccc2[nH]1 ZINC000097551406 395758437 /nfs/dbraw/zinc/75/84/37/395758437.db2.gz MFSBUEFFKCEPJO-UHFFFAOYSA-N 0 0 302.378 0.550 50 0 DCAARN Cn1cc(C(=O)N2CC[NH2+]C[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000097505907 395758591 /nfs/dbraw/zinc/75/85/91/395758591.db2.gz NFMUZAJCINUJTI-LLVKDONJSA-N 0 0 301.346 0.925 50 0 DCAARN Cc1nc2ncccn2c1C(=O)N1CCN(c2ncccn2)CC1 ZINC000097529017 395758729 /nfs/dbraw/zinc/75/87/29/395758729.db2.gz VATLZBNDNGWGSP-UHFFFAOYSA-N 0 0 323.360 0.790 50 0 DCAARN Cc1nc(C=CC(=O)N2CCC3(CC2)NC(=O)NC3=O)cs1 ZINC000097600749 395759484 /nfs/dbraw/zinc/75/94/84/395759484.db2.gz YXTXBRHOLOFRDN-NSCUHMNNSA-N 0 0 320.374 0.665 50 0 DCAARN CN(C)C(=O)N1CCN(CCOCc2ccccc2)C[C@H](O)C1 ZINC000097610261 395759487 /nfs/dbraw/zinc/75/94/87/395759487.db2.gz HTWAUZLJANIZKK-INIZCTEOSA-N 0 0 321.421 0.863 50 0 DCAARN CCNC(=O)CNC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000044915678 395759714 /nfs/dbraw/zinc/75/97/14/395759714.db2.gz OVHNCUXMRQCGCO-RYUDHWBXSA-N 0 0 320.393 0.561 50 0 DCAARN O=C(CN1CCCCC1=O)N1CCC(c2cc(=O)[nH]cn2)CC1 ZINC000097637829 395759790 /nfs/dbraw/zinc/75/97/90/395759790.db2.gz WMAULOOCNGAYEZ-UHFFFAOYSA-N 0 0 318.377 0.488 50 0 DCAARN Cn1c(=O)cc(C(=O)N2CCC[C@H]2c2ccco2)n(C)c1=O ZINC000097730135 395760505 /nfs/dbraw/zinc/76/05/05/395760505.db2.gz UBTYRRNWMLXZKC-JTQLQIEISA-N 0 0 303.318 0.654 50 0 DCAARN O=C(CCNC(=O)c1cccc(-n2cnnc2)n1)N1CCCC1 ZINC000097743134 395760554 /nfs/dbraw/zinc/76/05/54/395760554.db2.gz WDVBMRDXYIFBGV-UHFFFAOYSA-N 0 0 314.349 0.405 50 0 DCAARN O=C(NCCNC(=O)N1CCC[C@H](CO)C1)c1ccc(F)cc1 ZINC000098033068 395761793 /nfs/dbraw/zinc/76/17/93/395761793.db2.gz FGBVVAKIWSIYOI-LBPRGKRZSA-N 0 0 323.368 0.969 50 0 DCAARN CCN1CCn2c(=O)n(Cc3cccc(OC)c3)nc2C1=O ZINC000098213019 395762174 /nfs/dbraw/zinc/76/21/74/395762174.db2.gz FGJPMZJGLPCOBA-UHFFFAOYSA-N 0 0 302.334 0.577 50 0 DCAARN CN1c2ccccc2[C@@H](NC(=O)C(=O)NCc2ccccn2)C1=O ZINC000101446203 395764758 /nfs/dbraw/zinc/76/47/58/395764758.db2.gz XNLYFFBZUFWIPW-CQSZACIVSA-N 0 0 324.340 0.532 50 0 DCAARN O=C(CNc1c(=O)c(=O)c1NCc1ccncc1)N1CCCC1 ZINC000101691279 395766804 /nfs/dbraw/zinc/76/68/04/395766804.db2.gz LAJJDKRBRKEJDL-UHFFFAOYSA-N 0 0 314.345 0.324 50 0 DCAARN O=CN1CCN(c2c(=O)c(=O)c2NCCc2ccccc2)CC1 ZINC000101710851 395767106 /nfs/dbraw/zinc/76/71/06/395767106.db2.gz ARMJDBXQMKJKJQ-UHFFFAOYSA-N 0 0 313.357 0.216 50 0 DCAARN CCn1c2ccccc2n(CC(=O)N[C@@H](C)C(=O)N(C)C)c1=N ZINC000101902372 395767633 /nfs/dbraw/zinc/76/76/33/395767633.db2.gz RHGKCFFSSQWWIB-NSHDSACASA-N 0 0 317.393 0.535 50 0 DCAARN CSCC[C@H](NC(N)=O)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000046278904 395775209 /nfs/dbraw/zinc/77/52/09/395775209.db2.gz ZBDYJECVEDJIQL-NEPJUHHUSA-N 0 0 323.418 0.896 50 0 DCAARN COc1cncc(O[C@H]2CCN(C(=O)c3snnc3C)C2)n1 ZINC000225393888 395858641 /nfs/dbraw/zinc/85/86/41/395858641.db2.gz GZTDAGUQTDYNBD-VIFPVBQESA-N 0 0 321.362 0.939 50 0 DCAARN CC(C)Oc1ccc(CNC(=O)[C@H](C)S(C)(=O)=O)cn1 ZINC000048248957 395811528 /nfs/dbraw/zinc/81/15/28/395811528.db2.gz POVZYFDQCYXBDX-JTQLQIEISA-N 0 0 300.380 0.918 50 0 DCAARN CCCOC(=O)[C@H]1[C@H]2C(=O)N(C[C@H]3CCCO3)C[C@@]23C=C[C@@H]1O3 ZINC000225333085 395858799 /nfs/dbraw/zinc/85/87/99/395858799.db2.gz CWKHMXLOOBRICA-RBUCKAEESA-N 0 0 321.373 0.901 50 0 biogenic DCAARN CC[C@H](C)[C@H](C)NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000195093273 395816078 /nfs/dbraw/zinc/81/60/78/395816078.db2.gz UZJXFLXOGFQUNP-IUCAKERBSA-N 0 0 321.381 0.433 50 0 DCAARN NC(=O)CC1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 ZINC000049392043 395832095 /nfs/dbraw/zinc/83/20/95/395832095.db2.gz NNIVYVIBMVSQTR-AWEZNQCLSA-N 0 0 316.357 0.882 50 0 DCAARN O=C(OCc1ccccc1)N1CCc2[nH]c(=O)[nH]c(=O)c2CC1 ZINC000049582214 395833092 /nfs/dbraw/zinc/83/30/92/395833092.db2.gz AWRLIPKSEFZOCO-UHFFFAOYSA-N 0 0 315.329 0.801 50 0 DCAARN COC(=O)[C@H]1CCCCN1C(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000050607335 395839464 /nfs/dbraw/zinc/83/94/64/395839464.db2.gz SXEUBIDBOJOIIA-CMPLNLGQSA-N 0 0 308.334 0.952 50 0 DCAARN Cc1nonc1C(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 ZINC000219036335 395843892 /nfs/dbraw/zinc/84/38/92/395843892.db2.gz OWVXMZBSHGWRNH-GHMZBOCLSA-N 0 0 324.362 0.939 50 0 DCAARN CC(C)S(=O)(=O)NC[C@H]1CCCN([C@@H]2C[C@@H](C)OC2=O)C1 ZINC000051101051 395844558 /nfs/dbraw/zinc/84/45/58/395844558.db2.gz VFNOCBMKPASBTH-JHJVBQTASA-N 0 0 318.439 0.730 50 0 DCAARN O=C(CCN1CCCO1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 ZINC000219671117 395846338 /nfs/dbraw/zinc/84/63/38/395846338.db2.gz SROOUHYMXLUVSM-ZIAGYGMSSA-N 0 0 321.377 0.762 50 0 DCAARN CCc1nnc(SCC(=O)NCc2cnn3cccnc23)[nH]1 ZINC000220168591 395847662 /nfs/dbraw/zinc/84/76/62/395847662.db2.gz CFDPXPZWIDPCDW-UHFFFAOYSA-N 0 0 317.378 0.818 50 0 DCAARN CC[C@H](C(=O)N1CCN(Cc2nccn2C)CC1)n1cccn1 ZINC000221165076 395849452 /nfs/dbraw/zinc/84/94/52/395849452.db2.gz UEKPSTQLOYGLFW-CQSZACIVSA-N 0 0 316.409 0.912 50 0 DCAARN CCc1nccn1CC(=O)NCc1nnnn1-c1ccccc1 ZINC000221204598 395850317 /nfs/dbraw/zinc/85/03/17/395850317.db2.gz CIDAMKOAFVDPGD-UHFFFAOYSA-N 0 0 311.349 0.738 50 0 DCAARN Cc1nonc1OCCNC(=O)CN(C)Cc1cccnc1 ZINC000221450164 395850849 /nfs/dbraw/zinc/85/08/49/395850849.db2.gz KUEPZSVVZDIYNE-UHFFFAOYSA-N 0 0 305.338 0.400 50 0 DCAARN C/C(=C\c1ccccc1)CN1CCN(CCS(N)(=O)=O)CC1 ZINC000222083105 395851407 /nfs/dbraw/zinc/85/14/07/395851407.db2.gz UOUUPGPJKLYKCW-FYWRMAATSA-N 0 0 323.462 0.996 50 0 DCAARN O=C(Cc1c[nH]c(=O)[nH]c1=O)N(Cc1nccs1)C1CC1 ZINC000221424106 395851499 /nfs/dbraw/zinc/85/14/99/395851499.db2.gz HOAASWZARNVAJB-UHFFFAOYSA-N 0 0 306.347 0.253 50 0 DCAARN Cc1cc(C)n(CCNC(=O)c2ccn(C(F)F)n2)c(=O)n1 ZINC000223183518 395854445 /nfs/dbraw/zinc/85/44/45/395854445.db2.gz VRIOCOKCBOCWBS-UHFFFAOYSA-N 0 0 311.292 0.882 50 0 DCAARN CCCc1nc(CNC(=O)[C@H](C)NS(C)(=O)=O)cs1 ZINC000223378128 395854705 /nfs/dbraw/zinc/85/47/05/395854705.db2.gz LZSSSFHIEITMQG-QMMMGPOBSA-N 0 0 305.425 0.650 50 0 DCAARN CCOC(=O)CN1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000051764756 395854911 /nfs/dbraw/zinc/85/49/11/395854911.db2.gz NJESQKRSJYZCLP-BETUJISGSA-N 0 0 312.410 0.897 50 0 DCAARN CN1CCN(C(=O)N[C@@H]2CCOC[C@H]2OCC2CCC2)CC1 ZINC000223722477 395856530 /nfs/dbraw/zinc/85/65/30/395856530.db2.gz QREYHNBATLWDQH-HUUCEWRRSA-N 0 0 311.426 0.918 50 0 DCAARN CN(C)[C@H](CNC(=O)NCCN1CCOCC1)c1ccco1 ZINC000047617940 395797764 /nfs/dbraw/zinc/79/77/64/395797764.db2.gz XOPCBTVGJUTPMD-CYBMUJFWSA-N 0 0 310.398 0.514 50 0 DCAARN O=C(Cn1cnnn1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000047669494 395798997 /nfs/dbraw/zinc/79/89/97/395798997.db2.gz YVRBITTVOCISML-UHFFFAOYSA-N 0 0 318.356 0.547 50 0 DCAARN Cn1nccc1CCC(=O)NCCNC(=O)c1cccnc1 ZINC000122999656 395891272 /nfs/dbraw/zinc/89/12/72/395891272.db2.gz OHTJQVTWZYKLLO-UHFFFAOYSA-N 0 0 301.350 0.294 50 0 DCAARN Cc1noc(C2CCN(CC(=O)NC[C@H]3CCCO3)CC2)n1 ZINC000054347546 395898330 /nfs/dbraw/zinc/89/83/30/395898330.db2.gz CTGNOXJYYCHJCK-CYBMUJFWSA-N 0 0 308.382 0.853 50 0 DCAARN O=C(CN1CCN(c2ccc(F)cc2)CC1)N1CCOCC1 ZINC000054530419 395902033 /nfs/dbraw/zinc/90/20/33/395902033.db2.gz NUVAPEBEMORCRO-UHFFFAOYSA-N 0 0 307.369 0.807 50 0 DCAARN Cc1ccc(-n2[n-]c(C(=O)N3CC[NH2+]C[C@H]3C)cc2=O)cc1 ZINC000125205337 395902266 /nfs/dbraw/zinc/90/22/66/395902266.db2.gz IWBBSNSCWXPBQI-GFCCVEGCSA-N 0 0 300.362 0.908 50 0 DCAARN Cn1cc(CNC(=O)N2CCN(c3ccccn3)CC2)cn1 ZINC000054810569 395905871 /nfs/dbraw/zinc/90/58/71/395905871.db2.gz FEAARDYHIUZCQK-UHFFFAOYSA-N 0 0 300.366 0.847 50 0 DCAARN CCn1cnnc1CCNC(=O)CCn1c(C)cc(C)nc1=O ZINC000055073801 395910787 /nfs/dbraw/zinc/91/07/87/395910787.db2.gz XHLBPJZNLFGDER-UHFFFAOYSA-N 0 0 318.381 0.221 50 0 DCAARN O=C(NCCS(=O)(=O)N1CCSCC1)C1=CCCCC1 ZINC000128003773 395916921 /nfs/dbraw/zinc/91/69/21/395916921.db2.gz LGUDHVJPDQUDQF-UHFFFAOYSA-N 0 0 318.464 0.982 50 0 DCAARN O=C(Cn1cncn1)NCc1nc(-c2cc(C3CC3)on2)no1 ZINC000238888838 395923092 /nfs/dbraw/zinc/92/30/92/395923092.db2.gz QJZCCUBPLQVOOK-UHFFFAOYSA-N 0 0 315.293 0.510 50 0 DCAARN CN(C[C@@H]1COCCO1)C(=O)CCn1c2ccccc2[nH]c1=O ZINC000244811373 395925378 /nfs/dbraw/zinc/92/53/78/395925378.db2.gz SBQOIHWYMYCPLL-GFCCVEGCSA-N 0 0 319.361 0.594 50 0 DCAARN COc1ccc([C@@H](NC(=O)c2nnc[nH]2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244787812 395925509 /nfs/dbraw/zinc/92/55/09/395925509.db2.gz QECVPSHTDWJNPS-JFGNBEQYSA-N 0 0 303.322 0.450 50 0 DCAARN Cn1cccc(C(=O)NCCn2ccc(-c3cnccn3)n2)c1=O ZINC000245020865 395926687 /nfs/dbraw/zinc/92/66/87/395926687.db2.gz MKUCEQBQLOYYMG-UHFFFAOYSA-N 0 0 324.344 0.469 50 0 DCAARN CN1C[C@@]2(CCCN(C(=O)c3[nH]nc4c3COCC4)C2)OC1=O ZINC000244900057 395926987 /nfs/dbraw/zinc/92/69/87/395926987.db2.gz ZVFXIPKORMNJED-OAHLLOKOSA-N 0 0 320.349 0.539 50 0 DCAARN O=C(c1cnc2ccccc2n1)N1CC(N2C(=O)COC2=O)C1 ZINC000225695946 395862174 /nfs/dbraw/zinc/86/21/74/395862174.db2.gz ZRICIZIHXCQBBU-UHFFFAOYSA-N 0 0 312.285 0.433 50 0 DCAARN CN(C[C@@H]1Cc2ccccc2CO1)C(=O)c1ccc(=O)n(C)n1 ZINC000225787942 395863775 /nfs/dbraw/zinc/86/37/75/395863775.db2.gz UYSKDVGCMKXMKJ-AWEZNQCLSA-N 0 0 313.357 0.994 50 0 DCAARN CCn1nccc1C(=O)NCc1nc(-c2ccc[nH]c2=O)no1 ZINC000225804803 395863909 /nfs/dbraw/zinc/86/39/09/395863909.db2.gz IIKIWUKKMSEFDH-UHFFFAOYSA-N 0 0 314.305 0.571 50 0 DCAARN CCn1ccnc1CN1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC000229306372 395874126 /nfs/dbraw/zinc/87/41/26/395874126.db2.gz XGUPLTHIODVOLO-ZBFHGGJFSA-N 0 0 319.453 0.887 50 0 DCAARN O=C([C@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccccn2)CC1 ZINC000053195033 395878310 /nfs/dbraw/zinc/87/83/10/395878310.db2.gz KZHSRKVUVURMJT-ZDUSSCGKSA-N 0 0 323.418 0.161 50 0 DCAARN CC(=O)c1ccc(NC(=O)NCCS(=O)(=O)N(C)C)cc1 ZINC000231019507 395883558 /nfs/dbraw/zinc/88/35/58/395883558.db2.gz DDXFYXBYWHWHAB-UHFFFAOYSA-N 0 0 313.379 0.902 50 0 DCAARN C[C@H]1CN(C(=O)c2ccccc2CN2C(=O)CNC2=O)CCO1 ZINC000058429172 395953206 /nfs/dbraw/zinc/95/32/06/395953206.db2.gz XDAYNSSYDMXSKF-NSHDSACASA-N 0 0 317.345 0.599 50 0 DCAARN CC(=O)C[C@H]1COCCN1S(=O)(=O)Cc1cc(C)on1 ZINC000274508331 395954517 /nfs/dbraw/zinc/95/45/17/395954517.db2.gz WLRNBKXPVFTTTJ-LBPRGKRZSA-N 0 0 302.352 0.493 50 0 DCAARN O=C(CCc1ccc(F)cc1)NCCN1CCCS1(=O)=O ZINC000061598442 395968803 /nfs/dbraw/zinc/96/88/03/395968803.db2.gz BSGDSXPHGPELNS-UHFFFAOYSA-N 0 0 314.382 0.910 50 0 DCAARN C[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)[C@H]1CCCO1 ZINC000248235153 395984411 /nfs/dbraw/zinc/98/44/11/395984411.db2.gz DGUCYLHTKYVHCT-QJPTWQEYSA-N 0 0 304.412 0.484 50 0 DCAARN CCN(CC(=O)NC)C(=O)[C@H]1COc2cc(OC)ccc2C1 ZINC000064656317 395988875 /nfs/dbraw/zinc/98/88/75/395988875.db2.gz BLDBOVIUSFHDFO-GFCCVEGCSA-N 0 0 306.362 0.841 50 0 DCAARN COc1ccc(CNC(=O)Cn2c(N)nc(C)cc2=O)cc1 ZINC000065310898 395992439 /nfs/dbraw/zinc/99/24/39/395992439.db2.gz LFQBOBGREMLMOS-UHFFFAOYSA-N 0 0 302.334 0.459 50 0 DCAARN O=C(NCc1ccnc(N2CCOCC2)c1)[C@@H]1CCC(=O)NC1 ZINC000065578169 395995106 /nfs/dbraw/zinc/99/51/06/395995106.db2.gz QXWVTAHBEKOXAT-CYBMUJFWSA-N 0 0 318.377 0.061 50 0 DCAARN COc1ccnc(N2CCN(C(=O)C3(C)CCOCC3)CC2)n1 ZINC000065615115 395995202 /nfs/dbraw/zinc/99/52/02/395995202.db2.gz LAXNNRNZDAWREA-UHFFFAOYSA-N 0 0 320.393 0.951 50 0 DCAARN Cc1[nH][nH]c(=O)c1CC(=O)N1CCN(C2CCCC2)C(=O)C1 ZINC000252509807 396022311 /nfs/dbraw/zinc/02/23/11/396022311.db2.gz YWBMXUVLTWJNCT-UHFFFAOYSA-N 0 0 306.366 0.167 50 0 DCAARN CSCC[C@H](CO)NC(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000252508024 396022747 /nfs/dbraw/zinc/02/27/47/396022747.db2.gz XAPDIKUTUXHZRC-QWHCGFSZSA-N 0 0 324.450 0.923 50 0 DCAARN CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCCO)CO2 ZINC000067432761 396026596 /nfs/dbraw/zinc/02/65/96/396026596.db2.gz ZMILNFOIZYKHBP-GFCCVEGCSA-N 0 0 321.377 0.084 50 0 DCAARN Cc1ccc(C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2CO)cn1 ZINC000253415023 396027709 /nfs/dbraw/zinc/02/77/09/396027709.db2.gz ZJZNSTGIGSHKKI-UONOGXRCSA-N 0 0 313.361 0.407 50 0 DCAARN CCOC(=O)c1c[nH]nc1S(=O)(=O)N(C)c1cnccn1 ZINC000253415823 396028197 /nfs/dbraw/zinc/02/81/97/396028197.db2.gz IUEHQRHXYAPNLY-UHFFFAOYSA-N 0 0 311.323 0.202 50 0 DCAARN COCc1nc([C@H]2C[C@H](NC(=O)[C@@H]3CCCO3)C2)cc(=O)[nH]1 ZINC000253535608 396029718 /nfs/dbraw/zinc/02/97/18/396029718.db2.gz ISFMGAIHIBIINT-NHCYSSNCSA-N 0 0 307.350 0.870 50 0 DCAARN CCC[C@H](NC(=O)Cn1cc(C)c(=O)[nH]c1=O)c1nccn1C ZINC000253537076 396030549 /nfs/dbraw/zinc/03/05/49/396030549.db2.gz WNEPSNQSQZPGKQ-NSHDSACASA-N 0 0 319.365 0.648 50 0 DCAARN O=C([C@@H]1COc2ccccc2O1)N1CCOCCNC(=O)CC1 ZINC000257182870 396034471 /nfs/dbraw/zinc/03/44/71/396034471.db2.gz GXTGYOSUYRQKSY-AWEZNQCLSA-N 0 0 320.345 0.192 50 0 DCAARN CC(=O)N[C@@H]1CN(C(=O)c2nccc3ccccc32)C[C@H]1CO ZINC000257191464 396034812 /nfs/dbraw/zinc/03/48/12/396034812.db2.gz PTGRWFYHXKQQOY-DZGCQCFKSA-N 0 0 313.357 0.804 50 0 DCAARN CCOc1ccccc1C(=O)N1C[C@@H](CO)[C@H](NC(C)=O)C1 ZINC000257191418 396034895 /nfs/dbraw/zinc/03/48/95/396034895.db2.gz PRVNITMQXAPGPS-GXTWGEPZSA-N 0 0 306.362 0.654 50 0 DCAARN CNC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NCCOC ZINC000257189553 396035089 /nfs/dbraw/zinc/03/50/89/396035089.db2.gz NWFMJTIQZQYNKN-KBPBESRZSA-N 0 0 321.377 0.610 50 0 DCAARN COc1ccc(C2(C(=O)N3CC[N@H+](C)[C@H](C(=O)[O-])C3)CC2)cc1 ZINC000067840924 396035401 /nfs/dbraw/zinc/03/54/01/396035401.db2.gz PUJAGAYLVGUWDG-AWEZNQCLSA-N 0 0 318.373 0.954 50 0 DCAARN COCCN1C[C@@H](C(=O)Nc2cnc3n2CCCC3)CC1=O ZINC000067840284 396035528 /nfs/dbraw/zinc/03/55/28/396035528.db2.gz CVBOOYHWESRRTH-NSHDSACASA-N 0 0 306.366 0.653 50 0 DCAARN Cc1ncc(CN2CC[C@@H](CNS(=O)(=O)C3CC3)C2)cn1 ZINC000067956239 396040526 /nfs/dbraw/zinc/04/05/26/396040526.db2.gz JVTNPNVCWVTLKK-LBPRGKRZSA-N 0 0 310.423 0.689 50 0 DCAARN COC(=O)[C@]1(C)CN(C(=O)NCCc2ccnn2C)C[C@H]1C ZINC000252478248 396020111 /nfs/dbraw/zinc/02/01/11/396020111.db2.gz AGNLHEOIHIYMFB-IAQYHMDHSA-N 0 0 308.382 0.803 50 0 DCAARN Cn1cc(C=c2sc(=CC(=O)C(C)(C)C)n(C)c2=O)cn1 ZINC000252453060 396020140 /nfs/dbraw/zinc/02/01/40/396020140.db2.gz YZMCKYSCXOBTBY-UHFFFAOYSA-N 0 0 305.403 0.405 50 0 DCAARN COCC(=O)N1CCCN([C@@H](C)C(=O)Nc2ccccn2)CC1 ZINC000252494401 396020723 /nfs/dbraw/zinc/02/07/23/396020723.db2.gz NUMHZDFAVJYERS-ZDUSSCGKSA-N 0 0 320.393 0.589 50 0 DCAARN O=S(=O)(C1CC1)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000252485095 396020739 /nfs/dbraw/zinc/02/07/39/396020739.db2.gz GNLLUNUZNLJBSG-UHFFFAOYSA-N 0 0 322.452 0.369 50 0 DCAARN CCCN1C(=O)N[C@@H](CC(=O)N(C)Cc2nc(C)c[nH]2)C1=O ZINC000252502779 396021905 /nfs/dbraw/zinc/02/19/05/396021905.db2.gz USYOZJLVSFAIJF-JTQLQIEISA-N 0 0 307.354 0.397 50 0 DCAARN Cc1nnc(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)s1 ZINC000069662901 396086206 /nfs/dbraw/zinc/08/62/06/396086206.db2.gz WOIGCSGNAKLKPD-LLVKDONJSA-N 0 0 321.410 0.789 50 0 DCAARN O=C(NC1CC1)C(=O)N1CCN(CCc2cccs2)CC1 ZINC000069654311 396086317 /nfs/dbraw/zinc/08/63/17/396086317.db2.gz USMOIQGTESTVDH-UHFFFAOYSA-N 0 0 307.419 0.713 50 0 DCAARN CCOCCN1CCN([C@H](C)C(=O)Nc2cc(C)on2)CC1 ZINC000069656114 396086374 /nfs/dbraw/zinc/08/63/74/396086374.db2.gz WZTLUTIEYYEAKU-CYBMUJFWSA-N 0 0 310.398 0.964 50 0 DCAARN Cc1nc(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)no1 ZINC000069697081 396086880 /nfs/dbraw/zinc/08/68/80/396086880.db2.gz DXSFWXSQQZNENX-UHFFFAOYSA-N 0 0 300.274 0.869 50 0 DCAARN COC(=O)c1cncn(CC(=O)N2CCCCCCC2)c1=O ZINC000069698495 396087146 /nfs/dbraw/zinc/08/71/46/396087146.db2.gz KVJQLXXUCMLDIR-UHFFFAOYSA-N 0 0 307.350 0.823 50 0 DCAARN CN(CC(=O)N1CCC[C@H](n2ccnc2)C1)c1cnccn1 ZINC000069738363 396088247 /nfs/dbraw/zinc/08/82/47/396088247.db2.gz GZIVYWNDWGPNGR-ZDUSSCGKSA-N 0 0 300.366 0.973 50 0 DCAARN C[C@@H](O)CN1CCN(C(=O)c2cn(C)nc2C(F)(F)F)CC1 ZINC000069773748 396090074 /nfs/dbraw/zinc/09/00/74/396090074.db2.gz SUHIUBHOHJFAQN-SECBINFHSA-N 0 0 320.315 0.578 50 0 DCAARN CS(=O)(=O)NCC(=O)NCCc1nc2c(s1)CCCC2 ZINC000069812114 396090690 /nfs/dbraw/zinc/09/06/90/396090690.db2.gz WMCVYCYDLBCPLL-UHFFFAOYSA-N 0 0 317.436 0.230 50 0 DCAARN COCC(=O)N1CCN([C@H]2CCN(CCC(C)C)C2=O)CC1 ZINC000169752139 396090971 /nfs/dbraw/zinc/09/09/71/396090971.db2.gz AHMLXNYYTZUSTK-AWEZNQCLSA-N 0 0 311.426 0.424 50 0 DCAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1Cn2cccc2C(=O)N1 ZINC000169774851 396091303 /nfs/dbraw/zinc/09/13/03/396091303.db2.gz BQIMHKDEPPHKGE-LLVKDONJSA-N 0 0 313.313 0.645 50 0 DCAARN O=C(N[C@H]1CCc2n[nH]c(=O)n2CC1)c1ccc2[nH]cnc2c1 ZINC000169783347 396091856 /nfs/dbraw/zinc/09/18/56/396091856.db2.gz BYTWVIFOPLALEN-JTQLQIEISA-N 0 0 312.333 0.583 50 0 DCAARN COCC(=O)N[C@@H]1CN(Cc2ccc(O)cc2)CC[C@@H]1CO ZINC000169786473 396092624 /nfs/dbraw/zinc/09/26/24/396092624.db2.gz UYIADZRCQNXQLD-UKRRQHHQSA-N 0 0 308.378 0.338 50 0 DCAARN CCC(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1 ZINC000169790135 396093363 /nfs/dbraw/zinc/09/33/63/396093363.db2.gz UBSDAAKRFGWVNV-UHFFFAOYSA-N 0 0 300.362 0.888 50 0 DCAARN COCc1nnc2n1CC[C@@H](NC(=O)CCn1cccn1)CC2 ZINC000169790396 396093504 /nfs/dbraw/zinc/09/35/04/396093504.db2.gz VSOCNLPBVJVDFI-LBPRGKRZSA-N 0 0 318.381 0.532 50 0 DCAARN CN(CCCS(C)(=O)=O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000069917422 396094727 /nfs/dbraw/zinc/09/47/27/396094727.db2.gz YONGPBPBTLLVNT-CYBMUJFWSA-N 0 0 312.439 0.812 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)COc2ccccc2OC)CC1 ZINC000069951555 396095908 /nfs/dbraw/zinc/09/59/08/396095908.db2.gz LTYWNHWAWQEWJQ-AWEZNQCLSA-N 0 0 322.405 0.989 50 0 DCAARN CCc1ncc2c(n1)CN(C[C@H](O)COC[C@@H]1CCCO1)CC2 ZINC000069951851 396096038 /nfs/dbraw/zinc/09/60/38/396096038.db2.gz LLQWGUATSBXYLA-GJZGRUSLSA-N 0 0 321.421 0.954 50 0 DCAARN C[C@H](C(=O)NC(N)=O)N1CCN(C(=O)CC2CCCC2)CC1 ZINC000071186134 396111154 /nfs/dbraw/zinc/11/11/54/396111154.db2.gz INONEBOXALOILA-LLVKDONJSA-N 0 0 310.398 0.294 50 0 DCAARN O=C([O-])c1c2c(sc1S(=O)(=O)N1CCCC1)C[NH2+]CC2 ZINC000071278519 396111854 /nfs/dbraw/zinc/11/18/54/396111854.db2.gz ASYHVNSOOFDUTP-UHFFFAOYSA-N 0 0 316.404 0.877 50 0 DCAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC1 ZINC000071794576 396115163 /nfs/dbraw/zinc/11/51/63/396115163.db2.gz JISCTWDJLNABRL-AWEZNQCLSA-N 0 0 308.403 0.995 50 0 DCAARN O=C(C[C@H]1NC(=O)N(c2ccc(F)cc2)C1=O)N1CCOCC1 ZINC000071800149 396115329 /nfs/dbraw/zinc/11/53/29/396115329.db2.gz SMJQOYRFCLFHLZ-GFCCVEGCSA-N 0 0 321.308 0.499 50 0 DCAARN COc1ccnc(N2CCN(C(=O)c3cc(C)n[nH]3)CC2)n1 ZINC000071819953 396115989 /nfs/dbraw/zinc/11/59/89/396115989.db2.gz AIXYLSQZEQYWKC-UHFFFAOYSA-N 0 0 302.338 0.479 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000071821297 396116410 /nfs/dbraw/zinc/11/64/10/396116410.db2.gz RCARWTYPOHKXJO-QWHCGFSZSA-N 0 0 319.336 0.957 50 0 DCAARN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cn(-c2ccccc2)nn1 ZINC000071829610 396117146 /nfs/dbraw/zinc/11/71/46/396117146.db2.gz FLWXLCBMANCBOT-RYUDHWBXSA-N 0 0 313.361 0.993 50 0 DCAARN C[C@H]1CN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)C[C@H](C)O1 ZINC000071833133 396117714 /nfs/dbraw/zinc/11/77/14/396117714.db2.gz HPFFVDPHRIGPEG-QWRGUYRKSA-N 0 0 311.382 0.733 50 0 DCAARN CCN(CC)S(=O)(=O)CCNC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000071883618 396123710 /nfs/dbraw/zinc/12/37/10/396123710.db2.gz UUDXKIXUVMYNDX-TXEJJXNPSA-N 0 0 321.443 0.477 50 0 DCAARN CCCNC(=O)CN1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000071892844 396123806 /nfs/dbraw/zinc/12/38/06/396123806.db2.gz GCMTXRMHIPIMTP-INIZCTEOSA-N 0 0 318.421 0.357 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1cscn1 ZINC000171825900 396126156 /nfs/dbraw/zinc/12/61/56/396126156.db2.gz QUXMCKJRVRNPPO-JTQLQIEISA-N 0 0 303.409 0.226 50 0 DCAARN CN(C)c1ncccc1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000072269156 396128201 /nfs/dbraw/zinc/12/82/01/396128201.db2.gz WLWSVVMSARVGGI-CABCVRRESA-N 0 0 318.421 0.819 50 0 DCAARN Cc1ccc(CC(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)cc1C ZINC000072290700 396130063 /nfs/dbraw/zinc/13/00/63/396130063.db2.gz LHYVXYQKAUVZBH-INIZCTEOSA-N 0 0 301.346 0.656 50 0 DCAARN CCc1nc([C@@H]2CCCN2C(=O)[C@@H]2CCS(=O)(=O)C2)no1 ZINC000072299273 396130670 /nfs/dbraw/zinc/13/06/70/396130670.db2.gz ZDSKYNWEOITXLA-ZJUUUORDSA-N 0 0 313.379 0.730 50 0 DCAARN COC(=O)N1CCCN(C(=O)C(=O)Nc2cccnc2)CC1 ZINC000069462152 396079743 /nfs/dbraw/zinc/07/97/43/396079743.db2.gz AMXNKDQKNLTXTI-UHFFFAOYSA-N 0 0 306.322 0.321 50 0 DCAARN CN(Cc1ccccc1)C(=O)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC000069490507 396080174 /nfs/dbraw/zinc/08/01/74/396080174.db2.gz GNLJBSSTKWAVER-AWEZNQCLSA-N 0 0 317.389 0.630 50 0 DCAARN COc1ccc(COCC(=O)N2CCC[C@H](C(N)=O)C2)cc1 ZINC000069517491 396081390 /nfs/dbraw/zinc/08/13/90/396081390.db2.gz CNTSFHJOFNIFFT-ZDUSSCGKSA-N 0 0 306.362 0.936 50 0 DCAARN CSc1sc(NC(=O)CNC(=O)CNC(C)=O)nc1C ZINC000069530605 396081936 /nfs/dbraw/zinc/08/19/36/396081936.db2.gz OXAMLWXBNLVILK-UHFFFAOYSA-N 0 0 316.408 0.364 50 0 DCAARN CCNC(=O)CNC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C ZINC000069559857 396082962 /nfs/dbraw/zinc/08/29/62/396082962.db2.gz DSQMSRSHDXGSPL-JTQLQIEISA-N 0 0 315.439 0.576 50 0 DCAARN Cc1csc(=O)n1CCC(=O)N1CC(=O)N(CC2CC2)C1 ZINC000279378701 396170395 /nfs/dbraw/zinc/17/03/95/396170395.db2.gz HGSLMCHDHGMIGJ-UHFFFAOYSA-N 0 0 309.391 0.647 50 0 DCAARN COC(=O)[C@H](C)CS(=O)(=O)NCc1cccc(OC)c1 ZINC000075103741 396175750 /nfs/dbraw/zinc/17/57/50/396175750.db2.gz SNSIKGLVBOFFNE-SNVBAGLBSA-N 0 0 301.364 0.924 50 0 DCAARN O=C(CN1CCCOC1=O)OCCNC(=O)c1cccnc1 ZINC000075110050 396176400 /nfs/dbraw/zinc/17/64/00/396176400.db2.gz QRSLSYGKLQVGQV-UHFFFAOYSA-N 0 0 307.306 0.197 50 0 DCAARN CCN1CCO[C@H](CN2CCN(Cc3nccn3C)CC2)C1 ZINC000075129518 396176819 /nfs/dbraw/zinc/17/68/19/396176819.db2.gz FCVMCDGZGXPJFE-HNNXBMFYSA-N 0 0 307.442 0.258 50 0 DCAARN Cc1cc(C)c(CNC(=O)N[C@H]2CCCCNC2=O)c(=O)[nH]1 ZINC000075117909 396176926 /nfs/dbraw/zinc/17/69/26/396176926.db2.gz RGKFSMCQMSTXLX-LBPRGKRZSA-N 0 0 306.366 0.460 50 0 DCAARN CN(C)[C@@H](CNC(=O)NCCCn1cccn1)c1cnn(C)c1 ZINC000076017067 396192246 /nfs/dbraw/zinc/19/22/46/396192246.db2.gz MJIMRXCEIKNUNL-AWEZNQCLSA-N 0 0 319.413 0.609 50 0 DCAARN Cc1nnc([C@H]2CN(C(=O)CCCn3cncn3)CCO2)[nH]1 ZINC000076044876 396193226 /nfs/dbraw/zinc/19/32/26/396193226.db2.gz JCAINSBFHODXTD-LLVKDONJSA-N 0 0 305.342 0.085 50 0 DCAARN CC(=O)N1CCC(CN2CCO[C@H](c3n[nH]c(C)n3)C2)CC1 ZINC000076048406 396194057 /nfs/dbraw/zinc/19/40/57/396194057.db2.gz PNEDSASPKBCAJK-AWEZNQCLSA-N 0 0 307.398 0.745 50 0 DCAARN COc1ccc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)nn1 ZINC000076053635 396194885 /nfs/dbraw/zinc/19/48/85/396194885.db2.gz JPUUUNVJHZYOKN-DGCLKSJQSA-N 0 0 306.366 0.278 50 0 DCAARN NC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1ccccc1F ZINC000076061964 396195869 /nfs/dbraw/zinc/19/58/69/396195869.db2.gz JANBJSIEAJJEOD-JQWIXIFHSA-N 0 0 300.355 0.899 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2)CCO1 ZINC000078718404 396252493 /nfs/dbraw/zinc/25/24/93/396252493.db2.gz KNTKULZCYLOMSX-AGIUHOORSA-N 0 0 307.325 0.577 50 0 DCAARN CCCc1nnc([C@@H]2CN(C(=O)c3cnns3)CCO2)[nH]1 ZINC000078889864 396256228 /nfs/dbraw/zinc/25/62/28/396256228.db2.gz ULPHAULQMSSWFU-QMMMGPOBSA-N 0 0 308.367 0.822 50 0 DCAARN C[C@@H](C(=O)NCc1ccco1)N1CCc2nn(C)c(=O)cc2C1 ZINC000078931549 396258405 /nfs/dbraw/zinc/25/84/05/396258405.db2.gz WSFWCKVCVUXVBR-NSHDSACASA-N 0 0 316.361 0.436 50 0 DCAARN NC(=O)C1(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000079105614 396261915 /nfs/dbraw/zinc/26/19/15/396261915.db2.gz FKZDWEFQYZPVMN-UHFFFAOYSA-N 0 0 323.374 0.110 50 0 DCAARN O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)c1ccc(F)cn1 ZINC000183408392 396269076 /nfs/dbraw/zinc/26/90/76/396269076.db2.gz NVNOCAUOZZLZCS-RTHLEPHNSA-N 0 0 306.297 0.329 50 0 DCAARN Cc1nn(-c2ccccc2)c(=O)n1CC(=O)NC1CCOCC1 ZINC000077471061 396222735 /nfs/dbraw/zinc/22/27/35/396222735.db2.gz WCTOTPDJSWODOY-UHFFFAOYSA-N 0 0 316.361 0.638 50 0 DCAARN O=C(CN1CCn2c(nnc2C2CC2)C1)NCC(F)(F)F ZINC000084136960 396318280 /nfs/dbraw/zinc/31/82/80/396318280.db2.gz ITLCQMTUECKOQA-UHFFFAOYSA-N 0 0 303.288 0.650 50 0 DCAARN O=C(NCCC[C@H]1CCCCO1)N1CCS(=O)(=O)CC1 ZINC000186610548 396353277 /nfs/dbraw/zinc/35/32/77/396353277.db2.gz JUVZNUKJAOFOKO-GFCCVEGCSA-N 0 0 304.412 0.776 50 0 DCAARN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)COCC(F)(F)F)C1 ZINC000286008764 396369098 /nfs/dbraw/zinc/36/90/98/396369098.db2.gz ZLLQYNSTYKVDKE-SFYZADRCSA-N 0 0 308.260 0.672 50 0 DCAARN COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc[nH]c2)C1 ZINC000190836042 396411998 /nfs/dbraw/zinc/41/19/98/396411998.db2.gz WQHOTZFCQMNXEL-AWEZNQCLSA-N 0 0 315.439 0.887 50 0 DCAARN CN(CCN1CCOCC1)C(=O)[C@@H]1CC(=O)OC12CCCC2 ZINC000584887364 396632023 /nfs/dbraw/zinc/63/20/23/396632023.db2.gz WIYXIPXCBUKUOO-ZDUSSCGKSA-N 0 0 310.394 0.653 50 0 DCAARN CN(C)C(=O)[C@H]1CN(C(=O)Cc2[nH]nc3ccccc32)CCO1 ZINC000584885434 396632423 /nfs/dbraw/zinc/63/24/23/396632423.db2.gz BWJIKIIYQBGHBW-CQSZACIVSA-N 0 0 316.361 0.421 50 0 DCAARN CCCc1nnsc1C(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000584890266 396633160 /nfs/dbraw/zinc/63/31/60/396633160.db2.gz STAAVOSBVUODFF-UHFFFAOYSA-N 0 0 308.367 0.541 50 0 DCAARN Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000584888817 396633238 /nfs/dbraw/zinc/63/32/38/396633238.db2.gz ARNYXTGIJWVXRV-LLVKDONJSA-N 0 0 320.349 0.395 50 0 DCAARN O=C(N[C@@H]1CCCN(c2cnccn2)C1)c1ccc2nnnn2c1 ZINC000584890317 396633433 /nfs/dbraw/zinc/63/34/33/396633433.db2.gz ZJHJWBXFNGBAAS-GFCCVEGCSA-N 0 0 324.348 0.313 50 0 DCAARN CCCc1noc(CN(C)C(=O)NCCc2noc(CO)n2)n1 ZINC000584893516 396635045 /nfs/dbraw/zinc/63/50/45/396635045.db2.gz RKBZJPYNRBGULT-UHFFFAOYSA-N 0 0 324.341 0.282 50 0 DCAARN CN1CCc2n[nH]c(C(=O)N[C@H]3CCc4c[nH]nc4C3)c2C1 ZINC000584896669 396635392 /nfs/dbraw/zinc/63/53/92/396635392.db2.gz VPBZADCVHUTASF-JTQLQIEISA-N 0 0 300.366 0.408 50 0 DCAARN Cc1nonc1CC(=O)N1CCCN(C(=O)c2ccoc2)CC1 ZINC000584896598 396635901 /nfs/dbraw/zinc/63/59/01/396635901.db2.gz GYDZQRHLORTDIQ-UHFFFAOYSA-N 0 0 318.333 0.888 50 0 DCAARN CC1(C)NC(=O)N(CC(=O)NCCCC[C@H]2CCCO2)C1=O ZINC000584899648 396636628 /nfs/dbraw/zinc/63/66/28/396636628.db2.gz UIEGCRWORPGSPT-NSHDSACASA-N 0 0 311.382 0.782 50 0 DCAARN O=C(Cc1cc2c(cc1Cl)OCCO2)N[C@H]1COC[C@@H]1O ZINC000584903293 396637328 /nfs/dbraw/zinc/63/73/28/396637328.db2.gz YYOJUWJCDQSICA-QWRGUYRKSA-N 0 0 313.737 0.530 50 0 DCAARN CCc1ccccc1S(=O)(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000585140718 396641599 /nfs/dbraw/zinc/64/15/99/396641599.db2.gz JYKCLOWZJYTKSE-PHIMTYICSA-N 0 0 308.359 0.142 50 0 DCAARN O=C(NCCn1cc(-c2cccnc2)cn1)c1ccc(=O)[nH]n1 ZINC000585148371 396642181 /nfs/dbraw/zinc/64/21/81/396642181.db2.gz JZBIPGLXMGHETL-UHFFFAOYSA-N 0 0 310.317 0.871 50 0 DCAARN C[C@@H](Oc1ccccc1)C(=O)NCCOCCn1cncn1 ZINC000585150369 396642346 /nfs/dbraw/zinc/64/23/46/396642346.db2.gz CIWJUNPSPJEWHA-CYBMUJFWSA-N 0 0 304.350 0.878 50 0 DCAARN CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN([C@H]2CCOC2=O)C1 ZINC000299753989 396714457 /nfs/dbraw/zinc/71/44/57/396714457.db2.gz FOBCNVOUWSVQMH-OLZOCXBDSA-N 0 0 307.350 0.721 50 0 DCAARN Cn1cc(S(=O)(=O)NC[C@H]2CCCN2c2ncccn2)cn1 ZINC000618256066 396942710 /nfs/dbraw/zinc/94/27/10/396942710.db2.gz CNMJEYOBQWUFFY-LLVKDONJSA-N 0 0 322.394 0.157 50 0 DCAARN Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2ncccc2F)cn1 ZINC000597555339 397013515 /nfs/dbraw/zinc/01/35/15/397013515.db2.gz OJQBERANHDDVDP-YTEVENLXSA-N 0 0 322.365 0.900 50 0 DCAARN O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccoc1 ZINC000390831690 397302701 /nfs/dbraw/zinc/30/27/01/397302701.db2.gz UFGXHQGJTACICE-ZDUSSCGKSA-N 0 0 312.391 0.661 50 0 DCAARN O=C(Cc1cccnc1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000390832271 397302975 /nfs/dbraw/zinc/30/29/75/397302975.db2.gz YHXPGMBAUSORAQ-CYBMUJFWSA-N 0 0 323.360 0.457 50 0 DCAARN O=C(CN1CCOCC1)N1CCN(CCc2ccncc2)CC1 ZINC000390833351 397303155 /nfs/dbraw/zinc/30/31/55/397303155.db2.gz GNQREDGZGFUORK-UHFFFAOYSA-N 0 0 318.421 0.101 50 0 DCAARN O=C(Cn1cccc1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000390831232 397303442 /nfs/dbraw/zinc/30/34/42/397303442.db2.gz QPBYUJMNSZEXTF-GFCCVEGCSA-N 0 0 311.349 0.321 50 0 DCAARN O=C(c1ccncn1)N1CC(n2cnnc2[C@@H]2CCCO2)C1 ZINC000409421559 397359440 /nfs/dbraw/zinc/35/94/40/397359440.db2.gz FYTMMRTXUDCFMI-LBPRGKRZSA-N 0 0 300.322 0.617 50 0 DCAARN Cc1cnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nc1 ZINC000301818956 292909293 /nfs/dbraw/zinc/90/92/93/292909293.db2.gz AIRQASZAWMLBQM-CQSZACIVSA-N 0 0 303.410 0.918 50 0 DCAARN COc1ccc(CCNC(=O)C(=O)Nc2c[nH]ccc2=O)cc1 ZINC000049547274 286300483 /nfs/dbraw/zinc/30/04/83/286300483.db2.gz ZAXYUSDSAMRYKX-UHFFFAOYSA-N 0 0 315.329 0.681 50 0 DCAARN Cc1cc(CCNC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)on1 ZINC000377055060 159895441 /nfs/dbraw/zinc/89/54/41/159895441.db2.gz FHMDKLYEUXHPRO-CHWSQXEVSA-N 0 0 306.366 0.788 50 0 DCAARN CCCCn1nnnc1CN1CCO[C@H](Cn2cccn2)C1 ZINC000069487795 286909475 /nfs/dbraw/zinc/90/94/75/286909475.db2.gz AGOVSIDZGYDMGM-ZDUSSCGKSA-N 0 0 305.386 0.571 50 0 DCAARN O=C(N[C@H]1CCc2ncnn2C1)c1cccc(-c2nc[nH]n2)c1 ZINC000132215820 287004140 /nfs/dbraw/zinc/00/41/40/287004140.db2.gz AFBYSSIWLMYMCB-LBPRGKRZSA-N 0 0 309.333 0.808 50 0 DCAARN COCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000096181737 292554260 /nfs/dbraw/zinc/55/42/60/292554260.db2.gz MDHLHQZMYOXDJB-ZIAGYGMSSA-N 0 0 310.325 0.487 50 0 DCAARN COCCNC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000012899234 292556658 /nfs/dbraw/zinc/55/66/58/292556658.db2.gz MKSDTKWEEMIEGJ-NWDGAFQWSA-N 0 0 307.419 0.788 50 0 biogenic DCAARN Cn1c(=O)[nH]c(=O)c2c1NC(=O)N[C@@H]2c1ccccc1Cl ZINC000020717288 415154262 /nfs/dbraw/zinc/15/42/62/415154262.db2.gz PLAKCHOJOVXFMY-SECBINFHSA-N 0 0 306.709 0.952 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cnn(C)c2)cc1 ZINC000025049234 415158211 /nfs/dbraw/zinc/15/82/11/415158211.db2.gz DTDVSHBWJNAQCC-UHFFFAOYSA-N 0 0 322.390 0.600 50 0 DCAARN COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1C ZINC000001063260 415125706 /nfs/dbraw/zinc/12/57/06/415125706.db2.gz XVXXFNDXLHBOMO-UHFFFAOYSA-N 0 0 312.391 0.903 50 0 DCAARN O[C@@H]1CO[C@H](Oc2ccc(Br)cc2)[C@H](O)[C@@H]1O ZINC000001231724 415125824 /nfs/dbraw/zinc/12/58/24/415125824.db2.gz RYMCGIWYPIFYRA-GWOFURMSSA-N 0 0 305.124 0.267 50 0 DCAARN CCOC(=O)C1=C(CC)N[C@@]2(O)c3ccccc3C(=O)[C@@]12O ZINC000002496479 415125850 /nfs/dbraw/zinc/12/58/50/415125850.db2.gz RIUUQYALSGAKLQ-JKSUJKDBSA-N 0 0 303.314 0.590 50 0 DCAARN CCOC(=O)NC(=O)CSc1nnc(-c2ccco2)n1N ZINC000006497469 415134942 /nfs/dbraw/zinc/13/49/42/415134942.db2.gz XRGRTGQGTLQWTB-UHFFFAOYSA-N 0 0 311.323 0.617 50 0 DCAARN Cc1ccc(OCC(=O)OCc2nc(N)nc(N)n2)cc1C ZINC000006991105 415137246 /nfs/dbraw/zinc/13/72/46/415137246.db2.gz AADVCJBJTKDWDR-UHFFFAOYSA-N 0 0 303.322 0.775 50 0 DCAARN CC(=O)NCc1ccc(C(=O)CSc2nnnn2C)cc1 ZINC000007736005 415139032 /nfs/dbraw/zinc/13/90/32/415139032.db2.gz OINIXXMJPAGWOO-UHFFFAOYSA-N 0 0 305.363 0.821 50 0 DCAARN CCNC(=O)COc1ccc(NC(=O)c2nccnc2N)cc1 ZINC000025652229 415164036 /nfs/dbraw/zinc/16/40/36/415164036.db2.gz BOHPSNZWTZTSQJ-UHFFFAOYSA-N 0 0 315.333 0.826 50 0 DCAARN O=C(NCc1cccs1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000007705089 415140587 /nfs/dbraw/zinc/14/05/87/415140587.db2.gz OCBQANLHNPZQDB-UHFFFAOYSA-N 0 0 323.399 0.862 50 0 DCAARN CC1(C)NC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O ZINC000008312700 415143848 /nfs/dbraw/zinc/14/38/48/415143848.db2.gz BOZALOZKTYTJQY-UHFFFAOYSA-N 0 0 319.317 0.362 50 0 DCAARN O=C(CNC(=O)c1ccco1)N1CCN(c2ncccn2)CC1 ZINC000008112752 415145653 /nfs/dbraw/zinc/14/56/53/415145653.db2.gz BTJVCRRXCQAXDJ-UHFFFAOYSA-N 0 0 315.333 0.148 50 0 DCAARN COc1ccc(C(=O)N2CCN(CC(=O)N(C)C)CC2)cc1F ZINC000014122074 415149203 /nfs/dbraw/zinc/14/92/03/415149203.db2.gz CVWAMYJWUQEGFS-UHFFFAOYSA-N 0 0 323.368 0.680 50 0 DCAARN O=C(CN1CCO[C@@H](c2ccc(F)cc2)C1)N1CCNC1=O ZINC000013004232 415149391 /nfs/dbraw/zinc/14/93/91/415149391.db2.gz ZINAVFUBFQRETI-CYBMUJFWSA-N 0 0 307.325 0.751 50 0 DCAARN COCCn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O ZINC000026131063 415166396 /nfs/dbraw/zinc/16/63/96/415166396.db2.gz MXOJDFXHVOVQOC-UHFFFAOYSA-N 0 0 303.240 0.760 50 0 DCAARN COC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 ZINC000026748041 415169583 /nfs/dbraw/zinc/16/95/83/415169583.db2.gz DLJUDKCKUUFEQZ-MRVPVSSYSA-N 0 0 302.352 0.107 50 0 DCAARN C[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)[C@@H]1CCCO1 ZINC000027883083 415174325 /nfs/dbraw/zinc/17/43/25/415174325.db2.gz ITEOZVTZWFZFFI-RISCZKNCSA-N 0 0 316.361 0.865 50 0 DCAARN CNC(=O)NC(=O)CN1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000030588541 415182496 /nfs/dbraw/zinc/18/24/96/415182496.db2.gz DQAUZNKTSNCQFQ-JTQLQIEISA-N 0 0 323.349 0.008 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@@H]1COc2ccccc2O1 ZINC000044457206 415219862 /nfs/dbraw/zinc/21/98/62/415219862.db2.gz IWWUCYVKPMFYQM-GWCFXTLKSA-N 0 0 311.359 0.377 50 0 DCAARN COc1ncccc1CNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000044911951 415232950 /nfs/dbraw/zinc/23/29/50/415232950.db2.gz NYUPZTGVZLLKTJ-CYBMUJFWSA-N 0 0 303.362 0.965 50 0 DCAARN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)S(=O)(=O)c1nncn1C ZINC000044947191 415235444 /nfs/dbraw/zinc/23/54/44/415235444.db2.gz LMIGAWNIBLXLBS-GMTAPVOTSA-N 0 0 314.411 0.672 50 0 DCAARN O=C(NCc1cccnc1-n1cncn1)NC1CCC(O)CC1 ZINC000044947092 415236753 /nfs/dbraw/zinc/23/67/53/415236753.db2.gz YJERGUIDOIRRKU-UHFFFAOYSA-N 0 0 316.365 0.765 50 0 DCAARN C[C@@H](C(=O)NCc1ccnc(N2CCCC2)c1)S(C)(=O)=O ZINC000044951781 415238220 /nfs/dbraw/zinc/23/82/20/415238220.db2.gz DVBWIQCHHMORJJ-NSHDSACASA-N 0 0 311.407 0.731 50 0 DCAARN C[C@@H]1CN(CCNC(=O)N(C)Cc2cnn(C)c2)C[C@H](C)O1 ZINC000044967781 415238856 /nfs/dbraw/zinc/23/88/56/415238856.db2.gz NIJKEKNTYVIJAA-BETUJISGSA-N 0 0 309.414 0.671 50 0 DCAARN C[C@@H](CNC(=O)NC[C@@H](c1ccco1)N(C)C)N1CCOCC1 ZINC000044949263 415239187 /nfs/dbraw/zinc/23/91/87/415239187.db2.gz PIBVQLIEQPUJRY-KBPBESRZSA-N 0 0 324.425 0.902 50 0 DCAARN O=C(NCCN1CCOCC1)c1cccc(N2CCOC2=O)c1 ZINC000044966052 415240347 /nfs/dbraw/zinc/24/03/47/415240347.db2.gz JJMZKWXYERWRGT-UHFFFAOYSA-N 0 0 319.361 0.705 50 0 DCAARN CC(C)CN1C[C@H](C(=O)NC[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000045897828 415253744 /nfs/dbraw/zinc/25/37/44/415253744.db2.gz JEMKBSIEHSPCHA-VXGBXAGGSA-N 0 0 316.423 0.042 50 0 DCAARN COCCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1cccnc1 ZINC000045896172 415256928 /nfs/dbraw/zinc/25/69/28/415256928.db2.gz MUFMLBXQUCEDCP-LBPRGKRZSA-N 0 0 316.321 0.547 50 0 DCAARN Cc1ccc(N2C[C@@H](C(=O)N3CCNC(=O)C3)CC2=O)c(F)c1 ZINC000046317316 415259522 /nfs/dbraw/zinc/25/95/22/415259522.db2.gz QKMHFTBVQJNTRF-NSHDSACASA-N 0 0 319.336 0.445 50 0 DCAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1cc(=O)c2ccccc2o1 ZINC000044457198 415222008 /nfs/dbraw/zinc/22/20/08/415222008.db2.gz ZTKXWAFTVWHCIP-SNVBAGLBSA-N 0 0 321.354 0.958 50 0 DCAARN Cc1cccc(OCCCNC(=O)CC[C@@H]2NC(=O)NC2=O)c1 ZINC000044890569 415229031 /nfs/dbraw/zinc/22/90/31/415229031.db2.gz YSUVUXOKETXEOL-ZDUSSCGKSA-N 0 0 319.361 0.868 50 0 DCAARN Cc1cc(NC(=O)CN2CCN(c3nccs3)CC2)n(C)n1 ZINC000044894428 415229931 /nfs/dbraw/zinc/22/99/31/415229931.db2.gz YVHPKZCEUVQNDI-UHFFFAOYSA-N 0 0 320.422 0.946 50 0 DCAARN COC[C@H](C)NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000044908108 415231179 /nfs/dbraw/zinc/23/11/79/415231179.db2.gz CNVVMRYXAXOXEK-TVQRCGJNSA-N 0 0 322.340 0.397 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@@H]1COc2ccccc2C1 ZINC000044907996 415231277 /nfs/dbraw/zinc/23/12/77/415231277.db2.gz ZHELTMDUAVAICM-AAEUAGOBSA-N 0 0 309.387 0.789 50 0 DCAARN CNS(=O)(=O)c1ccc(CNC(=O)NCc2cc[nH]n2)cc1 ZINC000048234165 415286261 /nfs/dbraw/zinc/28/62/61/415286261.db2.gz KTYYJNSBNOOBRJ-UHFFFAOYSA-N 0 0 323.378 0.317 50 0 DCAARN Cc1ccc(O)c(C(=O)NCCCN(C)S(C)(=O)=O)c1 ZINC000048261400 415286980 /nfs/dbraw/zinc/28/69/80/415286980.db2.gz QKXQKLXGVUWFSF-UHFFFAOYSA-N 0 0 300.380 0.712 50 0 DCAARN COc1ncccc1NC(=O)NC1CCN(CC(N)=O)CC1 ZINC000048264950 415288535 /nfs/dbraw/zinc/28/85/35/415288535.db2.gz KFNQQLVLAMDDMK-UHFFFAOYSA-N 0 0 307.354 0.161 50 0 DCAARN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000051055532 415313086 /nfs/dbraw/zinc/31/30/86/415313086.db2.gz JGCBMWVWAAZEQD-SRVKXCTJSA-N 0 0 312.414 0.587 50 0 DCAARN Cn1nnc2cc(C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)ccc21 ZINC000067867490 415388965 /nfs/dbraw/zinc/38/89/65/415388965.db2.gz WODDRAAVFQURMP-JTQLQIEISA-N 0 0 313.361 0.709 50 0 DCAARN Cc1[nH]c2c(c1C(=O)N1CCN(C)[C@@H](C(=O)[O-])C1)C(=O)CCC2 ZINC000067896138 415389745 /nfs/dbraw/zinc/38/97/45/415389745.db2.gz KCXHEXWXWMTAKW-LLVKDONJSA-N 0 0 319.361 0.683 50 0 DCAARN O=C(N[C@H]1CCOC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000082350398 415490124 /nfs/dbraw/zinc/49/01/24/415490124.db2.gz FYQDEWRUCJAWFD-ZDUSSCGKSA-N 0 0 324.402 0.990 50 0 DCAARN CC[C@@H]1CN(C(=O)[C@@H](C)n2cncn2)C[C@@H]1N1CCOCC1 ZINC000084735655 415499277 /nfs/dbraw/zinc/49/92/77/415499277.db2.gz AEMWPAOUFDFZQU-MCIONIFRSA-N 0 0 307.398 0.408 50 0 DCAARN CC[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1N1CCOCC1 ZINC000084735833 415500141 /nfs/dbraw/zinc/50/01/41/415500141.db2.gz ZKVVYIBXJFJQCP-HZPDHXFCSA-N 0 0 320.437 0.922 50 0 DCAARN CC[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1N1CCOCC1 ZINC000084735925 415500530 /nfs/dbraw/zinc/50/05/30/415500530.db2.gz PLAQNNJGVCEGRN-HUUCEWRRSA-N 0 0 306.410 0.761 50 0 DCAARN COc1ccccc1CCNC(=O)[C@@H]1CSCCC(=O)N1 ZINC000075171168 415440374 /nfs/dbraw/zinc/44/03/74/415440374.db2.gz HFCXVYMUKRGUJY-LBPRGKRZSA-N 0 0 308.403 0.976 50 0 DCAARN C[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@@]1(O)C1CC1 ZINC000091877056 415540264 /nfs/dbraw/zinc/54/02/64/415540264.db2.gz ZTTGVLAUISUVNX-YGRLFVJLSA-N 0 0 301.408 0.431 50 0 DCAARN O=C(CCn1cnnn1)NC[C@H]1CCOc2ccccc2C1 ZINC000095359195 415552349 /nfs/dbraw/zinc/55/23/49/415552349.db2.gz XCTMFODUJMDTAO-LBPRGKRZSA-N 0 0 301.350 0.821 50 0 DCAARN CNC(=O)C1(NC(=O)[C@H](C)NC(=O)c2ccco2)CCCCC1 ZINC000095369215 415555469 /nfs/dbraw/zinc/55/54/69/415555469.db2.gz IFIQPRLGJHZFLH-NSHDSACASA-N 0 0 321.377 0.963 50 0 DCAARN COCCn1nnc([C@H]2CN(c3ncnc(C)c3C)CCO2)n1 ZINC000095380936 415556701 /nfs/dbraw/zinc/55/67/01/415556701.db2.gz DIDKSBMKCKUSOE-GFCCVEGCSA-N 0 0 319.369 0.304 50 0 DCAARN COc1ncccc1NC(=O)N(CCCO)CC(OC)OC ZINC000095942624 415563134 /nfs/dbraw/zinc/56/31/34/415563134.db2.gz ZKBKIRNRXRIUSN-UHFFFAOYSA-N 0 0 313.354 0.925 50 0 DCAARN O=C(Nc1ncc[nH]1)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095477048 415565084 /nfs/dbraw/zinc/56/50/84/415565084.db2.gz OCKJYAQUZYUYDG-VIFPVBQESA-N 0 0 310.317 0.700 50 0 DCAARN Cc1nc2ncccc2c(=O)n1CCNC(=O)c1ccncc1 ZINC000095476854 415565595 /nfs/dbraw/zinc/56/55/95/415565595.db2.gz CVVPUEJSQVVPBY-UHFFFAOYSA-N 0 0 309.329 0.925 50 0 DCAARN Cc1nn(C)c2ncc(S(=O)(=O)N3CCC[C@@H](CO)C3)cc12 ZINC000095972857 415569688 /nfs/dbraw/zinc/56/96/88/415569688.db2.gz SPRBMHSANBDEDV-LLVKDONJSA-N 0 0 324.406 0.670 50 0 DCAARN Cc1ccc(CN2C[C@@H](C(=O)N3CC(CO)C3)CC2=O)cc1 ZINC000096012155 415571378 /nfs/dbraw/zinc/57/13/78/415571378.db2.gz SSQUEEBXPYYMNV-HNNXBMFYSA-N 0 0 302.374 0.794 50 0 DCAARN CCc1nnc(CN2CCC(N(C)S(=O)(=O)CC)CC2)[nH]1 ZINC000096012986 415572409 /nfs/dbraw/zinc/57/24/09/415572409.db2.gz PTFKHDZGOLALTL-UHFFFAOYSA-N 0 0 315.443 0.613 50 0 DCAARN CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](C)O[C@H](C)C1)C(=O)OC ZINC000105934163 415636373 /nfs/dbraw/zinc/63/63/73/415636373.db2.gz SJRYLVZAMOWKNN-SFTQSGBHSA-N 0 0 300.399 0.800 50 0 DCAARN CCc1nnc(CN2CCCc3ccc(S(N)(=O)=O)cc32)[nH]1 ZINC000097096310 415580079 /nfs/dbraw/zinc/58/00/79/415580079.db2.gz FYKZRVYFUYDFDH-UHFFFAOYSA-N 0 0 321.406 0.967 50 0 DCAARN Cc1nnc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)s1 ZINC000102293215 415597364 /nfs/dbraw/zinc/59/73/64/415597364.db2.gz GNHBBGJJZQMTEP-DTORHVGOSA-N 0 0 306.347 0.736 50 0 DCAARN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC(=O)NC1CCCC1 ZINC000102636613 415598668 /nfs/dbraw/zinc/59/86/68/415598668.db2.gz UPLLCKDPPKREPJ-RYUDHWBXSA-N 0 0 321.377 0.930 50 0 DCAARN O=C(Cc1ccc(O)cc1)NN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000110357707 415685738 /nfs/dbraw/zinc/68/57/38/415685738.db2.gz OVNQGHOEKPMISG-BETUJISGSA-N 0 0 300.314 0.917 50 0 DCAARN Cc1cnccc1NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000120384011 415765222 /nfs/dbraw/zinc/76/52/22/415765222.db2.gz SFLWKYILDXVNJQ-NSHDSACASA-N 0 0 312.395 0.793 50 0 DCAARN C[C@H]1C[NH2+]CCN1C(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC000125724535 415867735 /nfs/dbraw/zinc/86/77/35/415867735.db2.gz NGBVUNWHCDJUTH-NSHDSACASA-N 0 0 302.378 0.899 50 0 DCAARN Cc1nccc(NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)n1 ZINC000299762296 416064997 /nfs/dbraw/zinc/06/49/97/416064997.db2.gz UDRWUHPIBDGKHS-UHFFFAOYSA-N 0 0 322.394 0.369 50 0 DCAARN CC(C)n1cnnc1CCNC(=O)Cn1nc2ccccc2n1 ZINC000299761066 416065028 /nfs/dbraw/zinc/06/50/28/416065028.db2.gz QSBFKCVQWJAXQD-UHFFFAOYSA-N 0 0 313.365 0.963 50 0 DCAARN Cc1[nH]c(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)c(C)c1C(=O)[O-] ZINC000299772901 416065805 /nfs/dbraw/zinc/06/58/05/416065805.db2.gz CVZXOXPRPBFHRB-GFCCVEGCSA-N 0 0 323.393 0.906 50 0 DCAARN COc1ccc2[nH]c(CNC(=O)CCCn3cnnn3)nc2c1 ZINC000299763317 416065833 /nfs/dbraw/zinc/06/58/33/416065833.db2.gz ZWFLJTPTJPVMDS-UHFFFAOYSA-N 0 0 315.337 0.655 50 0 DCAARN O=C(CN1CCC(O)CC1)NC1CCN(c2ncccn2)CC1 ZINC000299763935 416066263 /nfs/dbraw/zinc/06/62/63/416066263.db2.gz ZDCAOQGSGQRAKZ-UHFFFAOYSA-N 0 0 319.409 0.018 50 0 DCAARN O=C(CCc1cn[nH]c1)NC1CCN(c2ncccn2)CC1 ZINC000299778685 416066685 /nfs/dbraw/zinc/06/66/85/416066685.db2.gz HDYHVSUDFGXCPY-UHFFFAOYSA-N 0 0 300.366 0.918 50 0 DCAARN CSCc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)o1 ZINC000299795298 416070186 /nfs/dbraw/zinc/07/01/86/416070186.db2.gz KIXNOHNPEFTPGW-RKDXNWHRSA-N 0 0 305.377 0.030 50 0 DCAARN C[C@H](NC(=O)NC[C@@H]1COC2(CCCCC2)O1)C(=O)N(C)C ZINC000253427637 416334805 /nfs/dbraw/zinc/33/48/05/416334805.db2.gz AJPJGDJIYDBCMU-NWDGAFQWSA-N 0 0 313.398 0.838 50 0 DCAARN Cc1nnc([C@H]2CCCN2C(=O)Cc2c(C)nc(C)[nH]c2=O)[nH]1 ZINC000215440477 416327200 /nfs/dbraw/zinc/32/72/00/416327200.db2.gz MLBOMTHBJXJIFX-GFCCVEGCSA-N 0 0 316.365 0.719 50 0 DCAARN Cn1cc(CCC(=O)NC[C@@H]2CCCN2c2cccnn2)cn1 ZINC000241287442 416330225 /nfs/dbraw/zinc/33/02/25/416330225.db2.gz LLGWRYJJLJTQJL-AWEZNQCLSA-N 0 0 314.393 0.928 50 0 DCAARN CCN(Cc1nc(C(N)=O)no1)C[C@H](O)c1cccc(O)c1 ZINC000243914928 416330456 /nfs/dbraw/zinc/33/04/56/416330456.db2.gz BKTKOFQIOCFDFG-NSHDSACASA-N 0 0 306.322 0.430 50 0 DCAARN CC[C@](O)(C(=O)NC[C@@H](O)C(=O)OC)c1cccc(Cl)c1 ZINC000241774191 416330477 /nfs/dbraw/zinc/33/04/77/416330477.db2.gz RNUUDZBPUYPPQP-BXUZGUMPSA-N 0 0 315.753 0.588 50 0 DCAARN CN(C)S(=O)(=O)CCNc1cc([C@H]2C[C@@H](O)C2)ncn1 ZINC000244574795 416330496 /nfs/dbraw/zinc/33/04/96/416330496.db2.gz CROSJNGNPKKTSA-AOOOYVTPSA-N 0 0 300.384 0.018 50 0 DCAARN Cc1nc([C@H]2CCCN(CC(=O)Nc3ccn(C)n3)C2)n[nH]1 ZINC000244678833 416330661 /nfs/dbraw/zinc/33/06/61/416330661.db2.gz ILCBTTPJKHJSLK-NSHDSACASA-N 0 0 303.370 0.665 50 0 DCAARN COCC(=O)N1CCCN(c2cc([C@H]3C[C@@H](O)C3)ncn2)CC1 ZINC000244707844 416330846 /nfs/dbraw/zinc/33/08/46/416330846.db2.gz KIOQQWGRNSWHQX-BETUJISGSA-N 0 0 320.393 0.400 50 0 DCAARN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCS(=O)(=O)C[C@H]1C ZINC000245339016 416331191 /nfs/dbraw/zinc/33/11/91/416331191.db2.gz PYLNAPPSWBGXTA-FRRDWIJNSA-N 0 0 302.440 0.895 50 0 DCAARN CCCCn1[nH]ccc1=NC(=O)CN1CCn2c(C)nnc2C1 ZINC000588084845 416523449 /nfs/dbraw/zinc/52/34/49/416523449.db2.gz XOVGGYZAMLXCKV-UHFFFAOYSA-N 0 0 317.397 0.459 50 0 DCAARN O=C(c1cnn2cccnc12)N1CCC(Nc2cccnn2)CC1 ZINC000591870622 416535737 /nfs/dbraw/zinc/53/57/37/416535737.db2.gz QPEWONJUVJSLPC-UHFFFAOYSA-N 0 0 323.360 1.236 50 0 DCAARN O=S(=O)(N1CCCCC1)N1CCN(c2ncns2)CC1 ZINC000585114963 416517649 /nfs/dbraw/zinc/51/76/49/416517649.db2.gz GYAZWJXDDMGZAJ-UHFFFAOYSA-N 0 0 317.440 0.391 50 0 DCAARN CNC(=O)c1ccc(NC(=O)NCCc2ccncc2C)nn1 ZINC000585119844 416518110 /nfs/dbraw/zinc/51/81/10/416518110.db2.gz XBLDKYWDKHBELQ-UHFFFAOYSA-N 0 0 314.349 0.904 50 0 DCAARN Nc1nnc(CCNC(=O)Cc2nc3ccccc3[nH]2)s1 ZINC000426509974 416771839 /nfs/dbraw/zinc/77/18/39/416771839.db2.gz FFZIINOFUHHDND-UHFFFAOYSA-N 0 0 302.363 0.898 50 0 DCAARN Cn1ccnc1SCCNc1cc([C@@H]2CCOC2)nc(N)n1 ZINC000426489300 416772126 /nfs/dbraw/zinc/77/21/26/416772126.db2.gz BWBHKFFITWHIAI-SNVBAGLBSA-N 0 0 320.422 0.922 50 0 DCAARN CCNC(=O)[C@@H](C)NC(=O)c1ccc(-c2cnc(N)nc2)cc1 ZINC000426549897 416773980 /nfs/dbraw/zinc/77/39/80/416773980.db2.gz IKOPRAMPAXKOQV-SNVBAGLBSA-N 0 0 313.361 0.980 50 0 DCAARN COC[C@@]1(C)CN(C(=O)NCC[C@@]2(O)CCCOC2)CCO1 ZINC000624304485 417004912 /nfs/dbraw/zinc/00/49/12/417004912.db2.gz IBFVYTDFCYPSHW-CABCVRRESA-N 0 0 316.398 0.365 50 0 DCAARN CCCCC[C@@H](C)NC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000408517507 417165703 /nfs/dbraw/zinc/16/57/03/417165703.db2.gz JUYVSVQBJVVNOK-LLVKDONJSA-N 0 0 322.413 0.989 50 0 DCAARN O=C(NCCOCCN1C(=O)CCC1=O)OCC(F)(F)F ZINC000575619909 417540889 /nfs/dbraw/zinc/54/08/89/417540889.db2.gz PLIWZFNAOXCNIF-UHFFFAOYSA-N 0 0 312.244 0.441 50 0 DCAARN CN1N=C(C(=O)N[C@]2(CO)COc3ccccc3C2)CCC1=O ZINC000529821644 417515071 /nfs/dbraw/zinc/51/50/71/417515071.db2.gz VMIFZROOQNYOHM-MRXNPFEDSA-N 0 0 317.345 0.077 50 0 DCAARN Cc1ccc(CC2CN(C(=O)NCCc3nnnn3C)C2)cc1 ZINC000664577801 418134275 /nfs/dbraw/zinc/13/42/75/418134275.db2.gz SHJIDYGDFCUBOJ-UHFFFAOYSA-N 0 0 314.393 0.945 50 0 DCAARN O=C(Cc1cccc(O)c1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299761935 229408791 /nfs/dbraw/zinc/40/87/91/229408791.db2.gz CBWAINKOJYXLLQ-LSDHHAIUSA-N 0 0 314.345 0.899 50 0 DCAARN Cc1nonc1CC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000299771414 229418430 /nfs/dbraw/zinc/41/84/30/229418430.db2.gz ZPNQXDAZGBYLFG-NSHDSACASA-N 0 0 302.338 0.496 50 0 DCAARN Cc1noc(C)c1CCC(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC000299791418 229448686 /nfs/dbraw/zinc/44/86/86/229448686.db2.gz CPCAIIAOVDZCGG-NSHDSACASA-N 0 0 315.395 0.361 50 0 DCAARN CCCN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)OCC ZINC000436332310 271590704 /nfs/dbraw/zinc/59/07/04/271590704.db2.gz HTPAXLRBFJQFFY-MNOVXSKESA-N 0 0 305.396 0.611 50 0 DCAARN CCCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3C)n(C)c1=O ZINC000010386975 273624476 /nfs/dbraw/zinc/62/44/76/273624476.db2.gz AYRPXBUAMBCXJY-VIFPVBQESA-N 0 0 304.354 0.693 50 0 DCAARN C/C=C/Cn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3C)n(C)c1=O ZINC000010337040 275732140 /nfs/dbraw/zinc/73/21/40/275732140.db2.gz MGDXCEOKRMNPEJ-FGEFZZPRSA-N 0 0 316.365 0.860 50 0 DCAARN COC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O ZINC000065591086 277331874 /nfs/dbraw/zinc/33/18/74/277331874.db2.gz XBICOWWITUCWSS-UHFFFAOYSA-N 0 0 317.223 0.287 50 0 DCAARN CSc1nc2n(n1)[C@@H](c1ccnn1C)C(C(N)=O)=C(C)N2 ZINC000020607940 277536068 /nfs/dbraw/zinc/53/60/68/277536068.db2.gz NYUJNHAHLRKLHK-VIFPVBQESA-N 0 0 305.367 0.508 50 0 DCAARN CC1(C)Cn2c(nc(=O)c3c2NC(=O)[C@]3(O)C(F)(F)F)S1 ZINC000004745726 278400684 /nfs/dbraw/zinc/40/06/84/278400684.db2.gz AEUVBEZASWOHMD-JTQLQIEISA-N 0 0 321.280 0.830 50 0 DCAARN O=C(CCn1cccc1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299802438 279760410 /nfs/dbraw/zinc/76/04/10/279760410.db2.gz ZXAFJZVICOGZJY-KBPBESRZSA-N 0 0 301.350 0.842 50 0 DCAARN O=C([C@@H]1CCC(=O)c2cccn21)N1CCOC[C@H]1c1nc[nH]n1 ZINC000328859664 280080750 /nfs/dbraw/zinc/08/07/50/280080750.db2.gz ADYGCBSYZIOROD-RYUDHWBXSA-N 0 0 315.333 0.724 50 0 DCAARN Cc1ccccc1N1CCn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000012647483 281348186 /nfs/dbraw/zinc/34/81/86/281348186.db2.gz FXHJRJSDWKMMBF-UHFFFAOYSA-N 0 0 311.345 0.894 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@@]2(C1)c1ccccc1NC2=O ZINC000072121552 289255760 /nfs/dbraw/zinc/25/57/60/289255760.db2.gz GUAQIWDPFHPKKW-CQSZACIVSA-N 0 0 309.391 0.779 50 0 DCAARN C[C@@H]1CN(S(=O)(=O)N[C@H]2CC(C)(C)OC2=O)C[C@@H](C)O1 ZINC000229981930 297059097 /nfs/dbraw/zinc/05/90/97/297059097.db2.gz LTLDNSBTWNHVOW-BBBLOLIVSA-N 0 0 306.384 0.024 50 0 DCAARN CO[C@H]1C[C@H](C(=O)N2C[C@@H]3CCC[C@H]3C2)N(S(C)(=O)=O)C1 ZINC000253431604 294646007 /nfs/dbraw/zinc/64/60/07/294646007.db2.gz SNWFQNQIBQVXBN-ZDEQEGDKSA-N 0 0 316.423 0.294 50 0 DCAARN COc1ccc(CN(CC(N)=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027648964 295125823 /nfs/dbraw/zinc/12/58/23/295125823.db2.gz NISYEPFFMGZQCT-GFCCVEGCSA-N 0 0 312.391 0.170 50 0 DCAARN COc1ccc2c(c1)[C@@H](C(=O)N1CCO[C@H](C)[C@H]1C(N)=O)CC2 ZINC000285638608 295269202 /nfs/dbraw/zinc/26/92/02/295269202.db2.gz WNVZDKKCZASXAG-DGFSRKRXSA-N 0 0 318.373 0.826 50 0 DCAARN COc1ccccc1CC(=O)N1CCNC[C@@H]1C(=O)NC1CC1 ZINC000072146786 295358172 /nfs/dbraw/zinc/35/81/72/295358172.db2.gz DUECCRNXJPCLOK-CQSZACIVSA-N 0 0 317.389 0.317 50 0 DCAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ncccc1O ZINC000103597214 295493944 /nfs/dbraw/zinc/49/39/44/295493944.db2.gz ASDKYPKKWGVKQL-NXEZZACHSA-N 0 0 301.302 0.677 50 0 DCAARN CS(=O)(=O)N1CC[C@@]2(C1)CCCN(C1CCOCC1)C2=O ZINC000091769579 295523411 /nfs/dbraw/zinc/52/34/11/295523411.db2.gz FKZALNXJIKXNQP-CQSZACIVSA-N 0 0 316.423 0.440 50 0 DCAARN CS(=O)(=O)NCCCNC(=O)c1ccc2c(c1)OCCO2 ZINC000031217516 295526330 /nfs/dbraw/zinc/52/63/30/295526330.db2.gz DUDCFEFGPZWLHN-UHFFFAOYSA-N 0 0 314.363 0.127 50 0 DCAARN Cc1cc(C)c(C)c(S(=O)(=O)N(CCO)CCO)c1C ZINC000004821138 301173997 /nfs/dbraw/zinc/17/39/97/301173997.db2.gz WHCAYXAZBAUQQR-UHFFFAOYSA-N 0 0 301.408 0.896 50 0 DCAARN Cc1c[nH+]ccc1N1CCCN(C(=O)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000067562546 302386743 /nfs/dbraw/zinc/38/67/43/302386743.db2.gz BVWVDJNPVBGMBV-UHFFFAOYSA-N 0 0 316.365 0.083 50 0 DCAARN NC(=O)c1ccccc1NC(=O)C[C@@H](C[NH+]1CCCC1)C(=O)[O-] ZINC000072325326 303348545 /nfs/dbraw/zinc/34/85/45/303348545.db2.gz QPWZHHGQIXBOPV-NSHDSACASA-N 0 0 319.361 0.911 50 0 biogenic DCAARN O=C(N1CC[C@H]2CN(c3ncccn3)C[C@H]21)N1CCOCC1 ZINC000082133745 303694666 /nfs/dbraw/zinc/69/46/66/303694666.db2.gz NUYBGUUTHMSFSR-QWHCGFSZSA-N 0 0 303.366 0.439 50 0 DCAARN CCNS(=O)(=O)[C@H]1CCN(C(=O)NCC[C@H]2CCOC2)C1 ZINC000332912174 332904189 /nfs/dbraw/zinc/90/41/89/332904189.db2.gz ZLHMBHBEKFFIAL-RYUDHWBXSA-N 0 0 319.427 0.136 50 0 DCAARN Cn1cnnc1Sc1ccc(-c2cn(C[C@@H](O)CO)nn2)o1 ZINC000091269881 332102660 /nfs/dbraw/zinc/10/26/60/332102660.db2.gz HSOBTTLNLFSTAZ-MRVPVSSYSA-N 0 0 322.350 0.171 50 0 DCAARN O=C(NCCCn1ccnn1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000534587733 334292721 /nfs/dbraw/zinc/29/27/21/334292721.db2.gz DUXUEWQSSRSFFA-GFCCVEGCSA-N 0 0 303.370 0.981 50 0 DCAARN Cc1cc(C(=O)NCCn2ncc3ccccc3c2=O)nn1C ZINC000534641462 334311512 /nfs/dbraw/zinc/31/15/12/334311512.db2.gz UMGXRFYUOANXBF-UHFFFAOYSA-N 0 0 311.345 0.868 50 0 DCAARN CC(=O)c1ncc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)s1 ZINC000534651072 334312059 /nfs/dbraw/zinc/31/20/59/334312059.db2.gz ARYLOIRQTNPYJE-QWRGUYRKSA-N 0 0 309.391 0.939 50 0 DCAARN O=C(CCNC(=O)c1ccccc1F)NCCn1ccnn1 ZINC000534656006 334313797 /nfs/dbraw/zinc/31/37/97/334313797.db2.gz SNQDFOUFXVUEPF-UHFFFAOYSA-N 0 0 305.313 0.354 50 0 DCAARN CC(=O)N1CCC[C@@H](NS(=O)(=O)N2CCCCCC2)C1 ZINC000534664778 334318573 /nfs/dbraw/zinc/31/85/73/334318573.db2.gz OUAUHDZWQIZPPC-CYBMUJFWSA-N 0 0 303.428 0.708 50 0 DCAARN Cc1nc(SCC(=O)NCc2noc([C@H]3CCCO3)n2)n[nH]1 ZINC000534671675 334320551 /nfs/dbraw/zinc/32/05/51/334320551.db2.gz NZRSCAULJUALCT-MRVPVSSYSA-N 0 0 324.366 0.756 50 0 DCAARN O=C(NCCn1cnc2ccsc2c1=O)NC[C@@H]1CCCO1 ZINC000238879116 534521513 /nfs/dbraw/zinc/52/15/13/534521513.db2.gz OUOAITHJETYDBY-JTQLQIEISA-N 0 0 322.390 0.936 50 0 DCAARN COCCC(=O)N1CCC(NC(=O)c2cncc(F)c2)CC1 ZINC000158423647 522943396 /nfs/dbraw/zinc/94/33/96/522943396.db2.gz DQDBVJNQEBTSCW-UHFFFAOYSA-N 0 0 309.341 0.978 50 0 DCAARN CN(Cc1cc(Cl)cn1C)C(=O)CN1C(=O)CN(C)C1=O ZINC000134676943 523174365 /nfs/dbraw/zinc/17/43/65/523174365.db2.gz SATRRHKOCXRWPX-UHFFFAOYSA-N 0 0 312.757 0.531 50 0 DCAARN CC(=O)[C@](C)(O)CN1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000330878937 527154197 /nfs/dbraw/zinc/15/41/97/527154197.db2.gz YHYSESBGSFHOJA-QGZVFWFLSA-N 0 0 322.380 0.852 50 0 DCAARN Cc1nccn1CCCNC(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000266986589 527415066 /nfs/dbraw/zinc/41/50/66/527415066.db2.gz USEJSWJGNLWSRC-ZDUSSCGKSA-N 0 0 307.398 0.879 50 0 DCAARN CC1=C(C(=O)NC[C@@H]2CCCOC2)[C@H](C)n2nnnc2N1C ZINC000408522011 528075525 /nfs/dbraw/zinc/07/55/25/528075525.db2.gz BODXIIISCDOUGZ-QWRGUYRKSA-N 0 0 306.370 0.501 50 0 DCAARN CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(N)=O)cc1 ZINC000408517781 528126327 /nfs/dbraw/zinc/12/63/27/528126327.db2.gz TXZFIZDMKYTUJE-DGCLKSJQSA-N 0 0 312.391 0.419 50 0 DCAARN CCOC(=O)c1nnn(C[C@@H](O)c2ccc(F)cc2)c1CO ZINC000409444170 528381679 /nfs/dbraw/zinc/38/16/79/528381679.db2.gz NJAFSPJWKJJJOP-GFCCVEGCSA-N 0 0 309.297 0.820 50 0 DCAARN CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C(=O)[O-] ZINC000262672568 528568496 /nfs/dbraw/zinc/56/84/96/528568496.db2.gz PYZALAYMMMWHQP-RYUDHWBXSA-N 0 0 313.398 0.012 50 0 DCAARN CC(C)n1ccc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)n1 ZINC000330822260 528600227 /nfs/dbraw/zinc/60/02/27/528600227.db2.gz QWTXSKYADKSNTG-UHFFFAOYSA-N 0 0 324.406 0.924 50 0 DCAARN CC(C)n1ncc2c1C[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)CC2 ZINC000330835344 528656662 /nfs/dbraw/zinc/65/66/62/528656662.db2.gz WLTIZDAYUARVBY-ZYHUDNBSSA-N 0 0 313.423 0.871 50 0 DCAARN CCCS(=O)(=O)CC(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000331367114 528795944 /nfs/dbraw/zinc/79/59/44/528795944.db2.gz DOSNFHDSDQJTMU-NSHDSACASA-N 0 0 303.380 0.018 50 0 DCAARN COc1cc(N2CCC(n3cc([C@H](C)O)nn3)CC2)ncn1 ZINC000023144982 536825726 /nfs/dbraw/zinc/82/57/26/536825726.db2.gz VDUJNCNTRKHLHP-JTQLQIEISA-N 0 0 304.354 0.972 50 0 DCAARN O=C(C[C@H]1OCCc2sccc21)N1CCN(CCO)CC1 ZINC000084618265 545702267 /nfs/dbraw/zinc/70/22/67/545702267.db2.gz ZNMYTWQWMFTFJO-CYBMUJFWSA-N 0 0 310.419 0.889 50 0 DCAARN Cc1nc(NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)n(C)n1 ZINC000183693268 545909710 /nfs/dbraw/zinc/90/97/10/545909710.db2.gz PPZSRULDXCMHBJ-LLVKDONJSA-N 0 0 303.322 0.939 50 0 DCAARN Cc1ccc(S(=O)(=O)N2CC(N3C(=O)CCC3=O)C2)cc1C ZINC000206953752 545936872 /nfs/dbraw/zinc/93/68/72/545936872.db2.gz VIXDVCQGGBCJRL-UHFFFAOYSA-N 0 0 322.386 0.825 50 0 DCAARN CC(C)(C)c1cc(CN2CCN(S(N)(=O)=O)CC2)[nH]n1 ZINC000215763257 545938004 /nfs/dbraw/zinc/93/80/04/545938004.db2.gz WXBDGGIVEZMZKK-UHFFFAOYSA-N 0 0 301.416 0.028 50 0 DCAARN CCCN1C(=O)N[C@@H](CC(=O)NCCCc2ccncc2)C1=O ZINC000215838726 545938891 /nfs/dbraw/zinc/93/88/91/545938891.db2.gz YTQOYEVQZLZLNL-ZDUSSCGKSA-N 0 0 318.377 0.851 50 0 DCAARN Cc1n[nH]c(C)c1CNC(=O)[C@H]1CCc2nn(C)c(=O)cc2C1 ZINC000238815947 545960487 /nfs/dbraw/zinc/96/04/87/545960487.db2.gz BLYWTYLKTDUOCE-NSHDSACASA-N 0 0 315.377 0.542 50 0 DCAARN CNC(=O)[C@@H]1CCC[C@@H]1Nc1ccccc1S(=O)(=O)NC ZINC000585092676 546303543 /nfs/dbraw/zinc/30/35/43/546303543.db2.gz IZEBBWLTONOGHB-MNOVXSKESA-N 0 0 311.407 0.921 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](O)CN1CCc1ccc2c(c1)OC(F)(F)O2 ZINC000585099538 546303567 /nfs/dbraw/zinc/30/35/67/546303567.db2.gz RTQOQYPXBIGAFA-ZJUUUORDSA-N 0 0 314.288 0.471 50 0 DCAARN Cc1nnc(SCC(=O)N2CCN3C(=O)OC[C@H]3C2)s1 ZINC000670440528 547091537 /nfs/dbraw/zinc/09/15/37/547091537.db2.gz NBPALXVFBFDVKC-MRVPVSSYSA-N 0 0 314.392 0.602 50 0 DCAARN CN1C[C@@H](CNC(=O)c2cccc(-c3ncc[nH]3)c2)OCC1=O ZINC000670442344 547092463 /nfs/dbraw/zinc/09/24/63/547092463.db2.gz QRINUOHPKNSUKG-CYBMUJFWSA-N 0 0 314.345 0.664 50 0 DCAARN CC1=NO[C@@](C)(C(=O)NCc2cccnc2-n2cncn2)C1 ZINC000670444999 547093389 /nfs/dbraw/zinc/09/33/89/547093389.db2.gz CJMWPWVUUGYSSQ-CQSZACIVSA-N 0 0 300.322 0.833 50 0 DCAARN C[NH+]1CCN(c2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)cc2)CC1 ZINC000670443363 547093773 /nfs/dbraw/zinc/09/37/73/547093773.db2.gz NSIZVDOQLIJAPN-UHFFFAOYSA-N 0 0 316.365 0.192 50 0 DCAARN CNC(=O)c1[nH]nc2c1CN(Cc1nnc(C(C)C)o1)CC2 ZINC000670469811 547099916 /nfs/dbraw/zinc/09/99/16/547099916.db2.gz QUMBOUQVHVYNGN-UHFFFAOYSA-N 0 0 304.354 0.834 50 0 DCAARN CN(C)C(=O)c1cncc(N2CCC(c3nnc[nH]3)CC2)n1 ZINC000670468770 547100945 /nfs/dbraw/zinc/10/09/45/547100945.db2.gz BPVMFIORVFVFPU-UHFFFAOYSA-N 0 0 301.354 0.681 50 0 DCAARN O=C(CN1C[C@H]2CCC[C@@H](C1)NC2=O)NCc1cccs1 ZINC000670474210 547102877 /nfs/dbraw/zinc/10/28/77/547102877.db2.gz WJYHAXILLPBPQQ-NEPJUHHUSA-N 0 0 307.419 0.965 50 0 DCAARN CCc1ccoc1C(=O)N1CC(N2C[C@H](C(=O)NC)CC2=O)C1 ZINC000685941918 548746789 /nfs/dbraw/zinc/74/67/89/548746789.db2.gz JJNDLCXXBAXAEH-LLVKDONJSA-N 0 0 319.361 0.261 50 0 DCAARN Cc1cccc(C(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)n1 ZINC000685942706 548747746 /nfs/dbraw/zinc/74/77/46/548747746.db2.gz MLPZBLXZUWUDDX-OUCADQQQSA-N 0 0 315.377 0.803 50 0 DCAARN Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(F)cn2)C1 ZINC000685942166 548747931 /nfs/dbraw/zinc/74/79/31/548747931.db2.gz GMYBQWKDIRBKNN-OPQQBVKSSA-N 0 0 319.340 0.634 50 0 DCAARN COc1ccc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)cn1 ZINC000685942548 548748125 /nfs/dbraw/zinc/74/81/25/548748125.db2.gz SMAKCQRTRVQICB-NWDGAFQWSA-N 0 0 304.306 0.390 50 0 DCAARN CCOC(=O)c1cnc(N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)nc1C ZINC000685944853 548749221 /nfs/dbraw/zinc/74/92/21/548749221.db2.gz DJYNUJXROSRVGW-UPJWGTAASA-N 0 0 317.349 0.945 50 0 DCAARN CCN1CCN(C(=O)c2ccc(NC)nc2)C[C@H]1c1ncc[nH]1 ZINC000328586973 563959944 /nfs/dbraw/zinc/95/99/44/563959944.db2.gz UWTIIWAMNLMPAM-ZDUSSCGKSA-N 0 0 314.393 1.365 50 0 DCAARN CC[C@@H](C(=O)[O-])[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000191431437 600997149 /nfs/dbraw/zinc/99/71/49/600997149.db2.gz ILUMYVAURUAGSU-AWEZNQCLSA-N 0 0 311.426 0.916 50 0 DCAARN Cc1ccccc1[C@H]1NC(=O)N(C[C@@H](O)Cn2cccn2)C1=O ZINC000888097565 661176911 /nfs/dbraw/zinc/17/69/11/661176911.db2.gz RUAFAPFDWUSZBT-GXTWGEPZSA-N 0 0 314.345 0.846 50 0 DCAARN Cn1cc(S(=O)(=O)NCC[C@@](C)(O)c2ccccc2)cn1 ZINC000188856261 659139470 /nfs/dbraw/zinc/13/94/70/659139470.db2.gz NADSGOFGDIQCDP-CQSZACIVSA-N 0 0 309.391 0.996 50 0 DCAARN CCC(CC)(C(=O)N[C@H](CO)C(=O)OC)C(=O)OC(C)(C)C ZINC000585090291 661465223 /nfs/dbraw/zinc/46/52/23/661465223.db2.gz HDBIOHNAAKXTBT-SNVBAGLBSA-N 0 0 317.382 0.785 50 0 DCAARN O=C(N[C@@H](CO)C(=O)NCCc1ccco1)c1ccc(F)cc1 ZINC000585090311 662950361 /nfs/dbraw/zinc/95/03/61/662950361.db2.gz XTLSCKQKUVMLJW-AWEZNQCLSA-N 0 0 320.320 0.868 50 0 DCAARN Cc1c([C@@H](C)NC(=O)Cn2cnnn2)cnn1-c1ccccn1 ZINC000012306723 666434221 /nfs/dbraw/zinc/43/42/21/666434221.db2.gz UVZZUAJWNFDXKR-SNVBAGLBSA-N 0 0 312.337 0.440 50 0 DCAARN Cc1c[nH]c(CN(C)C[C@]2(O)CCCN(CC3CC3)C2=O)n1 ZINC000012446754 666643292 /nfs/dbraw/zinc/64/32/92/666643292.db2.gz OSCWVSVKLSPXBA-MRXNPFEDSA-N 0 0 306.410 0.913 50 0 DCAARN CNC(=O)C1CN(C(=O)c2cc(-c3ccccc3OC)n[nH]2)C1 ZINC000186112413 666682008 /nfs/dbraw/zinc/68/20/08/666682008.db2.gz VYRFFTQDWAUUFF-UHFFFAOYSA-N 0 0 314.345 0.903 50 0 DCAARN O=C(NCC1CCN(C(=O)c2cn[nH]n2)CC1)c1ccoc1 ZINC000949141782 670271995 /nfs/dbraw/zinc/27/19/95/670271995.db2.gz MSWITMSRGISPPU-UHFFFAOYSA-N 0 0 303.322 0.680 50 0 DCAARN CS(=O)(=O)CCN1CCC(CNC(=O)c2ccco2)CC1 ZINC000952991121 685602769 /nfs/dbraw/zinc/60/27/69/685602769.db2.gz OYTHPSDHGKWDHP-UHFFFAOYSA-N 0 0 314.407 0.766 50 0 DCAARN NC(=O)CN1CCC[C@@H](C(=O)N(Cc2nccs2)C2CC2)C1 ZINC000952975019 685599954 /nfs/dbraw/zinc/59/99/54/685599954.db2.gz XVGWAWAFQTUQPM-LLVKDONJSA-N 0 0 322.434 0.831 50 0 DCAARN CCn1ncnc1CN(Cc1cccnc1)C[C@@H]1CCC(=O)N1 ZINC000952976470 685601176 /nfs/dbraw/zinc/60/11/76/685601176.db2.gz WMHGXAHHFWQCIZ-AWEZNQCLSA-N 0 0 314.393 0.974 50 0 DCAARN Cn1nccc1C(=O)NCC[C@@H]1CCCCN1S(C)(=O)=O ZINC000952981076 685601185 /nfs/dbraw/zinc/60/11/85/685601185.db2.gz LVNONHZEWFTIEV-NSHDSACASA-N 0 0 314.411 0.354 50 0 DCAARN Cc1nnnn1-c1cccc(NC(=O)Cn2ccc(=O)cc2)c1 ZINC000952986776 685602100 /nfs/dbraw/zinc/60/21/00/685602100.db2.gz KOSRFNBYIZSSTE-UHFFFAOYSA-N 0 0 310.317 0.771 50 0 DCAARN Cn1ccnc1CN1CC[C@@H](CNC(=O)c2ccc[nH]c2=O)C1 ZINC000067673318 685069884 /nfs/dbraw/zinc/06/98/84/685069884.db2.gz LIQVDXJXAXABNG-LBPRGKRZSA-N 0 0 315.377 0.360 50 0 DCAARN CC[C@H]1CN(C(=O)C2CCS(=O)(=O)CC2)CC[C@@]1(C)O ZINC000067909258 685070208 /nfs/dbraw/zinc/07/02/08/685070208.db2.gz HSXGALQPYPQZRO-GXTWGEPZSA-N 0 0 303.424 0.821 50 0 DCAARN O=C([O-])[C@@H]1CN(C(=O)c2[nH]cnc2-c2ccccc2)CC[NH2+]1 ZINC000071523844 685073643 /nfs/dbraw/zinc/07/36/43/685073643.db2.gz ZKVQZCICOPTLIB-NSHDSACASA-N 0 0 300.318 0.575 50 0 DCAARN COc1ccnc(N2CC[C@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091745407 685105702 /nfs/dbraw/zinc/10/57/02/685105702.db2.gz MCFCVRXVUPLEBQ-HNNXBMFYSA-N 0 0 306.366 0.296 50 0 DCAARN CS(=O)(=O)NC1CCN(C(=O)c2cncc(F)c2)CC1 ZINC000164866393 685140845 /nfs/dbraw/zinc/14/08/45/685140845.db2.gz VZRJCHCFECBGLZ-UHFFFAOYSA-N 0 0 301.343 0.375 50 0 DCAARN Cc1ncc(Cl)c(N2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)n1 ZINC001772701879 1157840333 /nfs/dbraw/zinc/84/03/33/1157840333.db2.gz CCBKCMQCUIPJOX-STQMWFEESA-N 0 0 311.817 0.235 50 0 DCAARN CCc1nnc(CN2CCCN(C(=O)c3cnccn3)CC2)[nH]1 ZINC001772706988 1157845454 /nfs/dbraw/zinc/84/54/54/1157845454.db2.gz XGXAIOAVORDBPO-UHFFFAOYSA-N 0 0 315.381 0.505 50 0 DCAARN O=C([O-])[C@@]12C[N@H+](Cc3cccc(OCCO)c3)C[C@@H]1COCC2 ZINC001772709028 1157846653 /nfs/dbraw/zinc/84/66/53/1157846653.db2.gz LLNJQUPVGOQGHR-PBHICJAKSA-N 0 0 321.373 0.981 50 0 DCAARN C[C@@H]1C(=O)N2CCC[C@H]2CN1C(=O)[C@H]1Cc2ccccc2CN1 ZINC001772709913 1157846995 /nfs/dbraw/zinc/84/69/95/1157846995.db2.gz SAQYHLVSTCXJKZ-UHOFOFEASA-N 0 0 313.401 0.923 50 0 DCAARN Cc1cnn(CCC(=O)N2C[C@@H](Cc3cc(C)no3)[C@H](O)C2)c1 ZINC001704298292 1179965314 /nfs/dbraw/zinc/96/53/14/1179965314.db2.gz GMFHZUWNHXGBNJ-UKRRQHHQSA-N 0 0 318.377 0.940 50 0 DCAARN CCc1cc(N2CCO[C@@H](C(=O)[O-])C2)nc(N2CCCC2)[nH+]1 ZINC001704303805 1179966708 /nfs/dbraw/zinc/96/67/08/1179966708.db2.gz BHNGFRKRKORBFK-GFCCVEGCSA-N 0 0 306.366 0.929 50 0 DCAARN O=C(c1ccc(CO)o1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704315320 1179971207 /nfs/dbraw/zinc/97/12/07/1179971207.db2.gz RWZGQZMFOOYTAJ-ZWNOBZJWSA-N 0 0 303.318 0.238 50 0 DCAARN CCc1nccn1CCC(=O)N(CCO)Cc1c[nH]c(C)n1 ZINC001704331680 1179975026 /nfs/dbraw/zinc/97/50/26/1179975026.db2.gz RXXFPFVEGVQKEK-UHFFFAOYSA-N 0 0 305.382 0.888 50 0 DCAARN CC(C)Nc1ncc(C(=O)N(CCO)Cc2ncc[nH]2)cn1 ZINC001704333573 1179976822 /nfs/dbraw/zinc/97/68/22/1179976822.db2.gz AZEIYKJWDZBVME-UHFFFAOYSA-N 0 0 304.354 0.655 50 0 DCAARN O=C(c1ccc2n[nH]nc2c1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704344200 1179980641 /nfs/dbraw/zinc/98/06/41/1179980641.db2.gz QTUGVVYSQDBUQI-IAQYHMDHSA-N 0 0 324.344 0.424 50 0 DCAARN CN(CC(=O)Nc1ccc(C(N)=O)cc1)C[C@@H]1COCCO1 ZINC001704357042 1179984189 /nfs/dbraw/zinc/98/41/89/1179984189.db2.gz DQLVBXGMCDFLHE-CYBMUJFWSA-N 0 0 307.350 0.071 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@H]1c1nn(C)c2c1COCC2 ZINC000675012053 748026159 /nfs/dbraw/zinc/02/61/59/748026159.db2.gz WTBYWIUDPMDRDE-LBPRGKRZSA-N 0 0 314.411 0.436 50 0 DCAARN COCCc1nc(CO[C@@H]2CCCN(C(=O)COC)C2)no1 ZINC000675017048 748026867 /nfs/dbraw/zinc/02/68/67/748026867.db2.gz PCSFSVNEZYFPHC-LLVKDONJSA-N 0 0 313.354 0.413 50 0 DCAARN O=S(=O)(c1cnn(-c2ccccn2)c1)N1CCC(O)CC1 ZINC000675030537 748029032 /nfs/dbraw/zinc/02/90/32/748029032.db2.gz OXAZNIXIDZYLOU-UHFFFAOYSA-N 0 0 308.363 0.413 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](CNC(=O)c2ccon2)C1 ZINC000823413099 758245884 /nfs/dbraw/zinc/24/58/84/758245884.db2.gz ZVSHCQPZVFPLAI-SNVBAGLBSA-N 0 0 301.368 0.466 50 0 DCAARN CSCCN1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC000824901318 758792331 /nfs/dbraw/zinc/79/23/31/758792331.db2.gz ZMZOXQMJQGUNIN-NSHDSACASA-N 0 0 300.428 0.037 50 0 DCAARN Cc1nnc(CN2CCC[C@@H](CNC(=O)c3ccon3)C2)[nH]1 ZINC000825261913 758800159 /nfs/dbraw/zinc/80/01/59/758800159.db2.gz ZAOGWEHPOWWSLC-NSHDSACASA-N 0 0 304.354 0.743 50 0 DCAARN Cc1n[nH]c(CCC(=O)NCCc2nc(N)cc(=O)[nH]2)c1C ZINC000827822505 758887058 /nfs/dbraw/zinc/88/70/58/758887058.db2.gz ZWNRZDZQLKFCHV-UHFFFAOYSA-N 0 0 304.354 0.396 50 0 DCAARN Cc1nn[nH]c1C(=O)N[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000828189043 758943212 /nfs/dbraw/zinc/94/32/12/758943212.db2.gz RWCSVXGAXOMSIX-SNVBAGLBSA-N 0 0 303.322 0.741 50 0 DCAARN C[C@@H](NC(=O)c1ccc2c(c1)ncn2CCO)c1nncn1C ZINC000828777036 759094167 /nfs/dbraw/zinc/09/41/67/759094167.db2.gz SOZRUBYFLZHMRF-SNVBAGLBSA-N 0 0 314.349 0.648 50 0 DCAARN Cc1cc(C(=O)N2CC[C@H](CC(=O)N3CCOCC3)C2)n(C)n1 ZINC000581783253 760249355 /nfs/dbraw/zinc/24/93/55/760249355.db2.gz YEKUMHBSGITAFJ-CYBMUJFWSA-N 0 0 320.393 0.440 50 0 DCAARN COCCOCc1nc([C@H]2CCCN2C(=O)CCOC)no1 ZINC000581795500 760253993 /nfs/dbraw/zinc/25/39/93/760253993.db2.gz NRIOSTVLWAEFDZ-LLVKDONJSA-N 0 0 313.354 0.933 50 0 DCAARN CN(C)C(=O)c1cn(C2CN(C(=O)NC3CCCCC3)C2)nn1 ZINC000581810623 760255276 /nfs/dbraw/zinc/25/52/76/760255276.db2.gz FZMOFDRYAGPUSM-UHFFFAOYSA-N 0 0 320.397 0.879 50 0 DCAARN O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 ZINC000585340843 768080444 /nfs/dbraw/zinc/08/04/44/768080444.db2.gz GXRXNIKPKVWJIH-SECBINFHSA-N 0 0 307.285 0.728 50 0 DCAARN COc1ccc(CNC(=O)/C=C/C(=O)N[C@@H](C)CCO)cc1 ZINC000585122101 766287244 /nfs/dbraw/zinc/28/72/44/766287244.db2.gz NOXQNYQJGKVEFG-GUOLPTJISA-N 0 0 306.362 0.755 50 0 DCAARN CC(C)CCOc1ccc(NC(=O)CCS(C)(=O)=O)nn1 ZINC000585126112 766288865 /nfs/dbraw/zinc/28/88/65/766288865.db2.gz OSLRKXQSEKRPLC-UHFFFAOYSA-N 0 0 315.395 1.275 50 0 DCAARN Cn1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 ZINC000585128038 766290153 /nfs/dbraw/zinc/29/01/53/766290153.db2.gz QEQCEQLZORYRJD-MNOVXSKESA-N 0 0 310.354 0.130 50 0 DCAARN CN(c1nnnn1C)S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000585128613 766290304 /nfs/dbraw/zinc/29/03/04/766290304.db2.gz HQGSRYCZAFUFSC-UHFFFAOYSA-N 0 0 319.749 0.969 50 0 DCAARN CCCCNC(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 ZINC000585135175 766291740 /nfs/dbraw/zinc/29/17/40/766291740.db2.gz FOGLNPAGANVPOB-ZDUSSCGKSA-N 0 0 317.455 0.691 50 0 DCAARN COC(=O)c1cc(NC(=O)NCCCn2cccn2)nn1C ZINC000585135562 766292998 /nfs/dbraw/zinc/29/29/98/766292998.db2.gz QJCJACGBBFSDJP-UHFFFAOYSA-N 0 0 306.326 0.615 50 0 DCAARN Cc1ccoc1C(=O)NCC1CCN(S(N)(=O)=O)CC1 ZINC000952874013 768936802 /nfs/dbraw/zinc/93/68/02/768936802.db2.gz SSNNSKHPICZYEZ-UHFFFAOYSA-N 0 0 301.368 0.233 50 0 DCAARN C[C@@H]1Cc2cc(NC(=O)c3cc(=O)n(C)c(=O)n3C)ccc2O1 ZINC000952864128 768953190 /nfs/dbraw/zinc/95/31/90/768953190.db2.gz YBZVDUVEOUFSPA-SECBINFHSA-N 0 0 315.329 0.660 50 0 DCAARN NC(=O)COCC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1 ZINC001529090939 1014495148 /nfs/dbraw/zinc/49/51/48/1014495148.db2.gz KUDLWZPQJLZFRR-LSDHHAIUSA-N 0 0 318.373 0.867 50 0 DCAARN CN1CC[NH+](C[C@@H]2CCCN(c3cncc(C(=O)[O-])n3)C2)CC1 ZINC001529118250 1014499681 /nfs/dbraw/zinc/49/96/81/1014499681.db2.gz HOWSGERRFAWUBA-ZDUSSCGKSA-N 0 0 319.409 0.639 50 0 DCAARN Cn1nc2c(c1NC(=O)[C@@H]1CCCN(CC(N)=O)C1)CSC2 ZINC001506398276 1017253760 /nfs/dbraw/zinc/25/37/60/1017253760.db2.gz BBBLDOQRSOIIKY-SECBINFHSA-N 0 0 323.422 0.303 50 0 DCAARN O=C(CCc1[nH]nc2c1CCCC2)N1CCN2C(=O)OC[C@H]2C1 ZINC001506402097 1017254683 /nfs/dbraw/zinc/25/46/83/1017254683.db2.gz UHWXUSNPBGBYRX-LLVKDONJSA-N 0 0 318.377 0.884 50 0 DCAARN Cc1c[nH+]ccc1N1CCCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC001506431630 1017271689 /nfs/dbraw/zinc/27/16/89/1017271689.db2.gz SOLPMAXTAUVDHF-UHFFFAOYSA-N 0 0 302.338 0.566 50 0 DCAARN Cc1ccccc1OC[C@@H](O)C(=O)N(C)CCC(=O)N(C)C ZINC001506402493 1017255721 /nfs/dbraw/zinc/25/57/21/1017255721.db2.gz SSFHLOUTFXUPDU-CYBMUJFWSA-N 0 0 308.378 0.671 50 0 DCAARN COCCn1cnnc1CNC(=O)[C@@H]1COc2ccccc2C1 ZINC000095498087 185374318 /nfs/dbraw/zinc/37/43/18/185374318.db2.gz VPKBHSSHVVSGFM-ZDUSSCGKSA-N 0 0 316.361 0.792 50 0 DCAARN CCN(CCn1cccn1)C(=O)CN1C(=O)OC(C)(C)C1=O ZINC000095506285 185375670 /nfs/dbraw/zinc/37/56/70/185375670.db2.gz JEFDSYXXRGUJQS-UHFFFAOYSA-N 0 0 308.338 0.489 50 0 DCAARN CC(=O)c1ccccc1C(=O)NCCN1CCN(C(C)=O)CC1 ZINC000078902937 185126161 /nfs/dbraw/zinc/12/61/61/185126161.db2.gz MDYYDYUDRALUNZ-UHFFFAOYSA-N 0 0 317.389 0.783 50 0 DCAARN Cc1noc([C@@H](C)OC(=O)[C@H]2CCCCN2S(C)(=O)=O)n1 ZINC000078985955 185140068 /nfs/dbraw/zinc/14/00/68/185140068.db2.gz JQTDKPIYZFHMPF-PSASIEDQSA-N 0 0 317.367 0.796 50 0 DCAARN CCC[C@@H]1CN(CC(=O)NCc2ccccn2)C[C@H]1NC(C)=O ZINC000082166575 185174306 /nfs/dbraw/zinc/17/43/06/185174306.db2.gz QQPAVGPHVKCTCG-GDBMZVCRSA-N 0 0 318.421 0.934 50 0 DCAARN CC(=O)Oc1ccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)cc1 ZINC000096902121 185390552 /nfs/dbraw/zinc/39/05/52/185390552.db2.gz LHVFUWTUJSKXEH-AWEZNQCLSA-N 0 0 318.329 0.576 50 0 DCAARN CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1CNC(=O)N1 ZINC000089969173 185272478 /nfs/dbraw/zinc/27/24/78/185272478.db2.gz SCZDXZVNTPUWPS-QWRGUYRKSA-N 0 0 305.334 0.356 50 0 DCAARN CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NCCO)C1 ZINC000082098924 192354495 /nfs/dbraw/zinc/35/44/95/192354495.db2.gz KIPOANYJHUYSJK-UHFFFAOYSA-N 0 0 313.361 0.847 50 0 DCAARN Cn1ccc(NC(=O)CN2CCC3(CC2)OCCC[C@@H]3O)n1 ZINC000095392000 185351973 /nfs/dbraw/zinc/35/19/73/185351973.db2.gz JJLRDGBZTRUGGX-LBPRGKRZSA-N 0 0 308.382 0.365 50 0 DCAARN O=S1(=O)C[C@@H](NCc2cccnc2)[C@H](N2CCCCC2)C1 ZINC000095397268 185353262 /nfs/dbraw/zinc/35/32/62/185353262.db2.gz PMZZPORAZFMCFH-HUUCEWRRSA-N 0 0 309.435 0.823 50 0 DCAARN CS(=O)(=O)NCCN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000095433947 185363964 /nfs/dbraw/zinc/36/39/64/185363964.db2.gz WKVMRGDVTBQZAA-GXFFZTMASA-N 0 0 320.361 0.622 50 0 DCAARN Cc1ccc(/C=C/C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)o1 ZINC000095435303 185364636 /nfs/dbraw/zinc/36/46/36/185364636.db2.gz KHBVSVMZYSQFIF-FYJFLYSWSA-N 0 0 312.391 0.999 50 0 DCAARN Cc1cc(F)ccc1C(=O)NC[C@@H](Cc1cnn(C)c1)C(N)=O ZINC000095450668 185369058 /nfs/dbraw/zinc/36/90/58/185369058.db2.gz QKPKQMOWOOWBEN-GFCCVEGCSA-N 0 0 318.352 0.942 50 0 DCAARN Cc1cc(F)ccc1C(=O)NC[C@H](Cc1cnn(C)c1)C(N)=O ZINC000095450669 185369077 /nfs/dbraw/zinc/36/90/77/185369077.db2.gz QKPKQMOWOOWBEN-LBPRGKRZSA-N 0 0 318.352 0.942 50 0 DCAARN CN1C[C@H](C(=O)N2CCN(c3ccncc3Cl)CC2)CC1=O ZINC000095437779 185365346 /nfs/dbraw/zinc/36/53/46/185365346.db2.gz NXOARYIPTJNXDB-LLVKDONJSA-N 0 0 322.796 0.862 50 0 DCAARN CN1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000097031808 185398964 /nfs/dbraw/zinc/39/89/64/185398964.db2.gz YJZSPVYSNXJXGG-OCCSQVGLSA-N 0 0 322.319 0.513 50 0 DCAARN COc1nccnc1O[C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC000225808225 201750309 /nfs/dbraw/zinc/75/03/09/201750309.db2.gz XEQFYKBPAMAMGW-NSHDSACASA-N 0 0 303.322 0.362 50 0 DCAARN O=C(N[C@H]1C[C@H](CO)[C@@H](O)C1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000107287016 185474236 /nfs/dbraw/zinc/47/42/36/185474236.db2.gz OOKPCJYMMATMRP-XFMPKHEZSA-N 0 0 318.373 0.288 50 0 DCAARN COCCNC(=O)Cn1cc(COc2ccc(F)cc2)nn1 ZINC000227160856 201794257 /nfs/dbraw/zinc/79/42/57/201794257.db2.gz CKNYYUWBGUEADF-UHFFFAOYSA-N 0 0 308.313 0.759 50 0 DCAARN C[C@@H](NC(=O)c1cc(COc2ccccc2F)n[nH]1)C(N)=O ZINC000067981753 190741953 /nfs/dbraw/zinc/74/19/53/190741953.db2.gz BVLJWHFSJQPZGV-MRVPVSSYSA-N 0 0 306.297 0.731 50 0 DCAARN CCc1cc2nncn2c(SCCCC(=O)NC(N)=O)n1 ZINC000279907463 215225218 /nfs/dbraw/zinc/22/52/18/215225218.db2.gz JOPDWZCRECVJTO-UHFFFAOYSA-N 0 0 308.367 0.754 50 0 DCAARN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@H]1CCCCNC1=O ZINC000080578209 192169305 /nfs/dbraw/zinc/16/93/05/192169305.db2.gz HOSWTXKUFXMCTP-YGRLFVJLSA-N 0 0 321.425 0.936 50 0 DCAARN CN(CC(=O)Nc1cnn(CC(F)(F)F)c1)S(C)(=O)=O ZINC000083858935 192388295 /nfs/dbraw/zinc/38/82/95/192388295.db2.gz JOYDDFNBSMBTMR-UHFFFAOYSA-N 0 0 314.289 0.275 50 0 DCAARN CN1CCc2n[nH]c(C(=O)NCc3cn4ccccc4n3)c2C1 ZINC000071721493 191013761 /nfs/dbraw/zinc/01/37/61/191013761.db2.gz KQYQWQAKZCFISV-UHFFFAOYSA-N 0 0 310.361 0.975 50 0 DCAARN COc1cccc(C(=O)N2CCc3c(nc(N)[nH]c3=O)C2)c1C ZINC000071745624 191019120 /nfs/dbraw/zinc/01/91/20/191019120.db2.gz DYHWVYPPJAWMLO-UHFFFAOYSA-N 0 0 314.345 0.868 50 0 DCAARN COCc1nc2c(cnn2C)c(NC2(C(N)=O)CCCC2)n1 ZINC000072139094 191047747 /nfs/dbraw/zinc/04/77/47/191047747.db2.gz CQXHQHVJQGWWAM-UHFFFAOYSA-N 0 0 304.354 0.720 50 0 DCAARN Cc1cc(F)ccc1CC(=O)N1CCNC[C@@H]1C(=O)NC1CC1 ZINC000072120894 191040381 /nfs/dbraw/zinc/04/03/81/191040381.db2.gz OFMDLOCSTUKEGJ-OAHLLOKOSA-N 0 0 319.380 0.756 50 0 DCAARN Cc1nonc1CN(C)C(=O)c1cn(C[C@H]2CCCO2)nn1 ZINC000072153430 191057059 /nfs/dbraw/zinc/05/70/59/191057059.db2.gz MNQDAPGYKBPTCV-SNVBAGLBSA-N 0 0 306.326 0.421 50 0 DCAARN Cc1nc(N2CCCCC2)ncc1C(=O)N1CC[C@H](O)[C@@H](O)C1 ZINC000072154775 191059737 /nfs/dbraw/zinc/05/97/37/191059737.db2.gz XZRNXVRAHMWECV-KBPBESRZSA-N 0 0 320.393 0.343 50 0 DCAARN CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC(c2cccnc2)C1 ZINC000072170530 191068314 /nfs/dbraw/zinc/06/83/14/191068314.db2.gz NGKGJRXXRHFIAN-ZDUSSCGKSA-N 0 0 309.391 0.431 50 0 DCAARN CCCC(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 ZINC000072171483 191068957 /nfs/dbraw/zinc/06/89/57/191068957.db2.gz MFKOOWYAIFVJGH-ZDUSSCGKSA-N 0 0 308.382 0.292 50 0 DCAARN Cc1nc(C)n(C[C@@H]2CN(Cc3nnnn3C3CC3)CCO2)n1 ZINC000072253487 191087196 /nfs/dbraw/zinc/08/71/96/191087196.db2.gz KMPJPBRINXDFQK-ZDUSSCGKSA-N 0 0 318.385 0.117 50 0 DCAARN OC[C@@H]1CCCN1c1cc(NCCCN2CCOCC2)ncn1 ZINC000072275961 191096254 /nfs/dbraw/zinc/09/62/54/191096254.db2.gz JQTWOCASTHIURV-AWEZNQCLSA-N 0 0 321.425 0.572 50 0 DCAARN C[C@H](CNc1cc(N2CCC[C@@H]2CO)ncn1)N1CCOCC1 ZINC000072276095 191098865 /nfs/dbraw/zinc/09/88/65/191098865.db2.gz WIMCNWSAXYBZTD-ZIAGYGMSSA-N 0 0 321.425 0.570 50 0 DCAARN NC(=S)c1nc(-c2cccc(C(N)=S)c2)[nH]c1C(N)=S ZINC000072284228 191104229 /nfs/dbraw/zinc/10/42/29/191104229.db2.gz QWURKDGDFZOTSH-UHFFFAOYSA-N 0 0 321.456 0.979 50 0 DCAARN C[C@H](NC(=O)c1ccn(C)c(=O)c1)c1nnnn1-c1ccccc1 ZINC000072285712 191105351 /nfs/dbraw/zinc/10/53/51/191105351.db2.gz RGXFHHQDFSKYDO-NSHDSACASA-N 0 0 324.344 0.852 50 0 DCAARN Cc1nc(C)c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)s1 ZINC000072286856 191106619 /nfs/dbraw/zinc/10/66/19/191106619.db2.gz LDUJUYOXDOTYTC-VIFPVBQESA-N 0 0 303.409 0.524 50 0 DCAARN Cc1ccc(C)n1CCC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000253406783 186308029 /nfs/dbraw/zinc/30/80/29/186308029.db2.gz JGEGQKAJYFRPJZ-UHFFFAOYSA-N 0 0 313.423 0.599 50 0 DCAARN CN1CCN(NC(=O)c2cccnc2O[C@@H]2CCOC2)CC1 ZINC000253408275 186308252 /nfs/dbraw/zinc/30/82/52/186308252.db2.gz XKELQPUZBCHGLE-GFCCVEGCSA-N 0 0 306.366 0.142 50 0 DCAARN COC(=O)[C@H](NC(=O)Cc1nc2nc(C)cc(C)n2n1)C1CC1 ZINC000072305435 191117146 /nfs/dbraw/zinc/11/71/46/191117146.db2.gz JWAOIVSFSMRHRI-CYBMUJFWSA-N 0 0 317.349 0.351 50 0 DCAARN COCCOC1CN(S(=O)(=O)N(C)C2CCCCC2)C1 ZINC000072313045 191119731 /nfs/dbraw/zinc/11/97/31/191119731.db2.gz HUURCPQPJAAEFN-UHFFFAOYSA-N 0 0 306.428 0.843 50 0 DCAARN COC(=O)C1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000035177059 290946366 /nfs/dbraw/zinc/94/63/66/290946366.db2.gz PZXWYNAXPXMQJD-GHMZBOCLSA-N 0 0 320.411 0.225 50 0 DCAARN O=C(NCc1ccc(-n2cncn2)cc1)[C@@H]1NCCc2nc[nH]c21 ZINC000072432007 191164869 /nfs/dbraw/zinc/16/48/69/191164869.db2.gz VPDIOEHNHYZLDM-OAHLLOKOSA-N 0 0 323.360 0.494 50 0 DCAARN O=C([C@@H]1CCCO1)N1CCN(C(=S)NCc2ccco2)CC1 ZINC000000611978 180828371 /nfs/dbraw/zinc/82/83/71/180828371.db2.gz JPLXCHGHZCVLQN-ZDUSSCGKSA-N 0 0 323.418 0.977 50 0 DCAARN CN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000000816527 180834624 /nfs/dbraw/zinc/83/46/24/180834624.db2.gz KVDPCAFLAKRARN-UHFFFAOYSA-N 0 0 315.370 0.814 50 0 DCAARN CCOC(=O)CNC(=O)CNC(=O)c1ccc(OC(C)C)cc1 ZINC000002272800 180917857 /nfs/dbraw/zinc/91/78/57/180917857.db2.gz LSMVTZDQBJFDOL-UHFFFAOYSA-N 0 0 322.361 0.883 50 0 DCAARN C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCC(=O)CC1 ZINC000003454779 181022137 /nfs/dbraw/zinc/02/21/37/181022137.db2.gz GEWDMKUPYPMXDD-LBPRGKRZSA-N 0 0 304.346 0.762 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)Sc1nc2nc(C)cc(C)n2n1 ZINC000003430961 181018712 /nfs/dbraw/zinc/01/87/12/181018712.db2.gz PFOFLMBKDYCUDV-MRVPVSSYSA-N 0 0 308.367 0.677 50 0 DCAARN CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)OCO2 ZINC000003520940 181030126 /nfs/dbraw/zinc/03/01/26/181030126.db2.gz HVGJBJZJUMKVFY-QMMMGPOBSA-N 0 0 308.290 0.806 50 0 DCAARN CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC ZINC000003875492 181051474 /nfs/dbraw/zinc/05/14/74/181051474.db2.gz WEAPVABOECTMGR-UHFFFAOYSA-N 0 0 318.322 0.758 50 0 in-man DCAARN CC1=C(C(N)=O)[C@H](c2ccncc2)N2NC(CCCO)=NC2=N1 ZINC000004030416 181064521 /nfs/dbraw/zinc/06/45/21/181064521.db2.gz XDOUQDBPOYWTHF-ZDUSSCGKSA-N 0 0 314.349 0.243 50 0 DCAARN CCOC(=O)c1c(C)nc(=O)[nH]c1S[C@@H](C)C(=O)OC ZINC000004317555 181096992 /nfs/dbraw/zinc/09/69/92/181096992.db2.gz UYQVMGNHLBFJDA-ZETCQYMHSA-N 0 0 300.336 0.909 50 0 DCAARN Cc1nnc(SCC(=O)Nc2cccc(F)c2)n(N)c1=O ZINC000004337918 181100061 /nfs/dbraw/zinc/10/00/61/181100061.db2.gz WDYWZHQBOFCELO-UHFFFAOYSA-N 0 0 309.326 0.530 50 0 DCAARN Nc1nonc1C(=O)NCCNCc1c(F)cccc1Cl ZINC000004488607 181114533 /nfs/dbraw/zinc/11/45/33/181114533.db2.gz SBVRQZBIQRRVDM-UHFFFAOYSA-N 0 0 313.720 0.964 50 0 DCAARN COc1cc(OC)cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000004504497 181117051 /nfs/dbraw/zinc/11/70/51/181117051.db2.gz TYAZVUGRKXIKQC-LLVKDONJSA-N 0 0 313.375 0.963 50 0 DCAARN NC(=O)Cn1ccn(-c2ccc(Br)cc2)c(=O)c1=O ZINC000004570011 181126123 /nfs/dbraw/zinc/12/61/23/181126123.db2.gz WFGHUCSLNSSRIF-UHFFFAOYSA-N 0 0 324.134 0.247 50 0 DCAARN COC(=O)C1=C[C@]2(CC(=O)N(c3ccc(C)cc3)C2=O)NN1 ZINC000004786490 181152756 /nfs/dbraw/zinc/15/27/56/181152756.db2.gz JKNDGDXOARNXTM-OAHLLOKOSA-N 0 0 301.302 0.519 50 0 DCAARN COCCN1CC2=C(C1=O)[C@H](c1ccc(OC)cc1)NC(=O)N2 ZINC000004854730 181163926 /nfs/dbraw/zinc/16/39/26/181163926.db2.gz QAEXYLPVRXDHER-AWEZNQCLSA-N 0 0 317.345 0.792 50 0 DCAARN Cc1csc2nc(COC(=O)C3=COCCO3)cc(=O)n12 ZINC000004871308 181167235 /nfs/dbraw/zinc/16/72/35/181167235.db2.gz IYOHXASNQOTMRM-UHFFFAOYSA-N 0 0 308.315 0.996 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)OCCO2 ZINC000004925829 181173910 /nfs/dbraw/zinc/17/39/10/181173910.db2.gz TVAWIVNDOCVIKH-MRVPVSSYSA-N 0 0 308.290 0.459 50 0 DCAARN COc1ccc(C(=O)NCCS(=O)(=O)N2CCCC2)cc1 ZINC000004940939 181176181 /nfs/dbraw/zinc/17/61/81/181176181.db2.gz HEUMYUOXJVKPMZ-UHFFFAOYSA-N 0 0 312.391 0.851 50 0 DCAARN COC[C@H](C)NC(=O)CSc1nnnn1-c1ccccc1 ZINC000004988429 181185802 /nfs/dbraw/zinc/18/58/02/181185802.db2.gz VHLCDEAKVUHYAB-JTQLQIEISA-N 0 0 307.379 0.906 50 0 DCAARN COCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000005090963 181202273 /nfs/dbraw/zinc/20/22/73/181202273.db2.gz ZNXWXEMELJUOHW-UHFFFAOYSA-N 0 0 320.798 0.869 50 0 DCAARN CCN(CC(=O)Nc1cn(C)nc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000077423832 191712676 /nfs/dbraw/zinc/71/26/76/191712676.db2.gz FHQIGVMTGVHVBU-LLVKDONJSA-N 0 0 314.411 0.176 50 0 DCAARN C/C=C/C(=O)OCc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1C ZINC000005109610 181204528 /nfs/dbraw/zinc/20/45/28/181204528.db2.gz BSVZXLKQXBSUIM-FNORWQNLSA-N 0 0 320.349 0.843 50 0 DCAARN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCn2ncnc21 ZINC000078556756 191884707 /nfs/dbraw/zinc/88/47/07/191884707.db2.gz RRVGUXDQZXFJPD-UHFFFAOYSA-N 0 0 316.774 0.572 50 0 DCAARN COC(=O)c1cc(C)ccc1OC(=O)CN(C)S(C)(=O)=O ZINC000078442918 191864125 /nfs/dbraw/zinc/86/41/25/191864125.db2.gz YCNXQKQMZQQVBO-UHFFFAOYSA-N 0 0 315.347 0.578 50 0 DCAARN CCNC(=O)NC(=O)Cn1cnc2ccc(Cl)cc2c1=O ZINC000005253676 181222567 /nfs/dbraw/zinc/22/25/67/181222567.db2.gz CKKVNDCPVKALCU-UHFFFAOYSA-N 0 0 308.725 0.896 50 0 DCAARN CC(C)N1C(=O)C(=O)N(CC(=O)NC2CCC(C)CC2)C1=O ZINC000005365479 181235155 /nfs/dbraw/zinc/23/51/55/181235155.db2.gz OSJOSEOPSDHIJZ-UHFFFAOYSA-N 0 0 309.366 0.881 50 0 DCAARN Cc1cc(C)n2nc(C(=O)N3CCC4(CC3)OCCO4)nc2n1 ZINC000005345992 181232155 /nfs/dbraw/zinc/23/21/55/181232155.db2.gz SFDWXQSYLQOWBD-UHFFFAOYSA-N 0 0 317.349 0.720 50 0 DCAARN C[C@@]1(NC(=O)COc2ccccc2F)CCS(=O)(=O)C1 ZINC000005859567 181290515 /nfs/dbraw/zinc/29/05/15/181290515.db2.gz ALWOZENQBSHEGX-CYBMUJFWSA-N 0 0 301.339 0.898 50 0 DCAARN Cn1c(SCC(=O)N2CCNC2=O)nnc1-c1ccco1 ZINC000005862614 181291299 /nfs/dbraw/zinc/29/12/99/181291299.db2.gz MFKXKYGYWUZHLG-UHFFFAOYSA-N 0 0 307.335 0.719 50 0 DCAARN C[C@@H](C(=O)[O-])[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000237713041 202335387 /nfs/dbraw/zinc/33/53/87/202335387.db2.gz PMTWYNFIQLTFLP-MJBXVCDLSA-N 0 0 311.426 0.582 50 0 DCAARN Cn1nncc1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000240886248 202459194 /nfs/dbraw/zinc/45/91/94/202459194.db2.gz IOEKAHXDYKJANN-LLVKDONJSA-N 0 0 317.324 0.880 50 0 DCAARN CCOC(=O)c1cnc(SCC(=O)NCCOC)nc1N ZINC000005969340 181302331 /nfs/dbraw/zinc/30/23/31/181302331.db2.gz GRZXHQRDZDWAPI-UHFFFAOYSA-N 0 0 314.367 0.090 50 0 DCAARN Cc1cc(C)n(CCC(=O)N2CCN(c3nonc3C)CC2)n1 ZINC000244700975 202488196 /nfs/dbraw/zinc/48/81/96/202488196.db2.gz JXMXYEDIXWRUQY-UHFFFAOYSA-N 0 0 318.381 0.930 50 0 DCAARN O=C(Cn1ncccc1=O)N[C@@H](Cn1nccn1)c1ccccc1 ZINC000245130843 202511567 /nfs/dbraw/zinc/51/15/67/202511567.db2.gz VAHYBGZGQLFVRH-AWEZNQCLSA-N 0 0 324.344 0.393 50 0 DCAARN CC(C)(C)NC(=O)COC(=O)Cn1cnc2ccccc2c1=O ZINC000006544486 181352686 /nfs/dbraw/zinc/35/26/86/181352686.db2.gz KDCYLIKZJPYMFH-UHFFFAOYSA-N 0 0 317.345 0.854 50 0 DCAARN Cn1c2nc(Cl)n(CC(=O)C(C)(C)C)c2c(=O)n(C)c1=O ZINC000006637103 181362944 /nfs/dbraw/zinc/36/29/44/181362944.db2.gz LVXAXGRYIYKHSP-UHFFFAOYSA-N 0 0 312.757 0.702 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C(=O)c1ccc(C)cc1 ZINC000025028498 283852343 /nfs/dbraw/zinc/85/23/43/283852343.db2.gz PFDPRQIPURMCGQ-GFCCVEGCSA-N 0 0 318.329 0.068 50 0 DCAARN CN(C)c1nc(N2CCC3(C[NH2+][C@@H](C(=O)[O-])C3)CC2)ncc1F ZINC000091391249 193049147 /nfs/dbraw/zinc/04/91/47/193049147.db2.gz UIHNNKXNGDKARV-LLVKDONJSA-N 0 0 323.372 0.715 50 0 DCAARN CCCn1ncc(C(=O)N2CCCN(C(=O)COC)CC2)c1C ZINC000091493918 193063778 /nfs/dbraw/zinc/06/37/78/193063778.db2.gz MSHQGKPVHQRVHU-UHFFFAOYSA-N 0 0 322.409 0.922 50 0 DCAARN CNS(=O)(=O)CCNC(=O)c1cccc(Cn2cccn2)c1 ZINC000091494199 193064590 /nfs/dbraw/zinc/06/45/90/193064590.db2.gz JFICOGSTOJGYPD-UHFFFAOYSA-N 0 0 322.390 0.210 50 0 DCAARN CCN1CCC[C@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1=O ZINC000091644395 193083760 /nfs/dbraw/zinc/08/37/60/193083760.db2.gz SAXWAJIWWZIDQG-QGZVFWFLSA-N 0 0 317.389 0.709 50 0 DCAARN COCC(=O)N1CCC[C@@H](c2nnc(Cn3cccn3)n2C)C1 ZINC000091664078 193086813 /nfs/dbraw/zinc/08/68/13/193086813.db2.gz XUUSKNZUXWSYSY-GFCCVEGCSA-N 0 0 318.381 0.412 50 0 DCAARN O=S(=O)(N1CCCC1)N1CCC2(CC1)OCCC[C@H]2O ZINC000091829823 193114626 /nfs/dbraw/zinc/11/46/26/193114626.db2.gz DDTJQTVUJNNTNF-GFCCVEGCSA-N 0 0 304.412 0.333 50 0 DCAARN COc1cccc(CN2C[C@@H](C(=O)NCC(N)=O)CCC2=O)c1 ZINC000091872643 193121014 /nfs/dbraw/zinc/12/10/14/193121014.db2.gz PYGPPJCWSMXEEQ-LBPRGKRZSA-N 0 0 319.361 0.035 50 0 DCAARN CCNc1ncc(C(=O)NCc2nncn2CCOC)cn1 ZINC000091966722 193134187 /nfs/dbraw/zinc/13/41/87/193134187.db2.gz IMWJILJRRWCPJH-UHFFFAOYSA-N 0 0 305.342 0.076 50 0 DCAARN COc1ccc2c(c1)OC[C@@H](C(=O)NCCN1CCNC1=O)C2 ZINC000092045827 193147515 /nfs/dbraw/zinc/14/75/15/193147515.db2.gz GKEUPPJFDQBXFD-LBPRGKRZSA-N 0 0 319.361 0.388 50 0 DCAARN C/C=C/C=C\C(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000493301104 241148100 /nfs/dbraw/zinc/14/81/00/241148100.db2.gz JFLJTHPYJLQTAR-IAROGAJJSA-N 0 0 303.366 0.860 50 0 DCAARN O=C(C[C@H]1NC(=O)NC1=O)NCCc1nc2ccccc2o1 ZINC000216135549 201483205 /nfs/dbraw/zinc/48/32/05/201483205.db2.gz AWAVXRUBRMCSJX-SECBINFHSA-N 0 0 302.290 0.085 50 0 DCAARN c1nc(CN2CCN(c3ccnc4nncn43)CC2)cs1 ZINC000216001146 201477880 /nfs/dbraw/zinc/47/78/80/201477880.db2.gz XETFNPVBTKPJCX-UHFFFAOYSA-N 0 0 301.379 0.903 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC(c2ccncc2)CC1 ZINC000092078893 193154568 /nfs/dbraw/zinc/15/45/68/193154568.db2.gz WCVYSHCICQSHJB-ZDUSSCGKSA-N 0 0 316.361 0.776 50 0 DCAARN CCc1nc(C)c(CC(=O)N2CCCC[C@H]2C(=O)NC)c(=O)[nH]1 ZINC000223850255 201659525 /nfs/dbraw/zinc/65/95/25/201659525.db2.gz FFGJCRCCDTUQKC-LBPRGKRZSA-N 0 0 320.393 0.310 50 0 DCAARN Cc1cc(C)n2nc(CC(=O)N[C@@H](C)c3ncnn3C)nc2n1 ZINC000223868998 201660418 /nfs/dbraw/zinc/66/04/18/201660418.db2.gz PYDNJAILGJSPDS-JTQLQIEISA-N 0 0 314.353 0.290 50 0 DCAARN NC(=O)[C@@H]1COCCN1Cc1csc(-c2ccccn2)n1 ZINC000092230536 193177322 /nfs/dbraw/zinc/17/73/22/193177322.db2.gz WVOLEKUKXLSGHC-LBPRGKRZSA-N 0 0 304.375 0.891 50 0 DCAARN O=C(CCn1cnnn1)NC[C@@H]1CCOc2ccccc2C1 ZINC000095359194 193430136 /nfs/dbraw/zinc/43/01/36/193430136.db2.gz XCTMFODUJMDTAO-GFCCVEGCSA-N 0 0 301.350 0.821 50 0 DCAARN COCCc1noc(CN2CCN(c3ncccn3)CC2)n1 ZINC000096140275 193550355 /nfs/dbraw/zinc/55/03/55/193550355.db2.gz XFMJOOUPPGRESB-UHFFFAOYSA-N 0 0 304.354 0.371 50 0 DCAARN CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)COC)cc1 ZINC000014234357 181940110 /nfs/dbraw/zinc/94/01/10/181940110.db2.gz DYLRHPNIIUOGRX-JTQLQIEISA-N 0 0 300.380 0.750 50 0 DCAARN COc1c2c(cc([C@@H]3ON=C(C(N)=O)[C@@H]3C)c1OC)OCO2 ZINC000015082575 181987948 /nfs/dbraw/zinc/98/79/48/181987948.db2.gz UUGPYRTYBNIBAR-QUBYGPBYSA-N 0 0 308.290 0.981 50 0 DCAARN C[C@H]1CCCN(C(=O)CS(=O)(=O)CCCC(=O)N(C)C)C1 ZINC000097325374 193708471 /nfs/dbraw/zinc/70/84/71/193708471.db2.gz QLCGBZIBBBJORJ-LBPRGKRZSA-N 0 0 318.439 0.528 50 0 DCAARN CC(C)CCn1c(SCC(N)=O)nc2nccnc2c1=O ZINC000015674637 182011512 /nfs/dbraw/zinc/01/15/12/182011512.db2.gz OSFQQPPWIJILOB-UHFFFAOYSA-N 0 0 307.379 0.810 50 0 DCAARN COc1ccc(OC)c([C@@H]2CCN(c3c(O)c(=O)c3=O)C2)c1 ZINC000015768474 182014830 /nfs/dbraw/zinc/01/48/30/182014830.db2.gz KEWNKBXIXPOFCR-SECBINFHSA-N 0 0 303.314 0.999 50 0 DCAARN COc1ccc(S(=O)(=O)N2CN3CCN(C3)C2)cc1OC ZINC000019320274 182114984 /nfs/dbraw/zinc/11/49/84/182114984.db2.gz KIJMNOHDWJYSDE-UHFFFAOYSA-N 0 0 313.379 0.198 50 0 DCAARN COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1 ZINC000019607235 182132725 /nfs/dbraw/zinc/13/27/25/182132725.db2.gz DYCRTSVHYPCSML-UHFFFAOYSA-N 0 0 300.380 0.306 50 0 DCAARN O=C(NCCN1CCOCC1)C(=O)c1c[nH]c2ccccc12 ZINC000019831474 182154866 /nfs/dbraw/zinc/15/48/66/182154866.db2.gz GUSVFDAJWCEEOF-UHFFFAOYSA-N 0 0 301.346 0.799 50 0 DCAARN Cn1cc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cn1 ZINC000019850769 182157427 /nfs/dbraw/zinc/15/74/27/182157427.db2.gz JZZSHKDSAIPVIR-UHFFFAOYSA-N 0 0 312.329 0.375 50 0 DCAARN COc1ccc(OCCC(=O)NCCN2CCOCC2)cc1 ZINC000020351991 182210319 /nfs/dbraw/zinc/21/03/19/182210319.db2.gz XBLROKVMASHGIQ-UHFFFAOYSA-N 0 0 308.378 0.913 50 0 DCAARN CCOC(=O)N1CCN(c2c(=O)c(=O)c2N[C@@H](C)CC)CC1 ZINC000020378982 182212841 /nfs/dbraw/zinc/21/28/41/182212841.db2.gz KPPQFNIRQQGPFG-JTQLQIEISA-N 0 0 309.366 0.772 50 0 DCAARN CN1CCN(CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000020745570 182245838 /nfs/dbraw/zinc/24/58/38/182245838.db2.gz SQIHUGYNKMNEAI-CYBMUJFWSA-N 0 0 305.378 0.190 50 0 DCAARN Cc1cc2c(cc1NC(=O)CN1CCOCC1)n(C)c(=O)n2C ZINC000020853571 182249329 /nfs/dbraw/zinc/24/93/29/182249329.db2.gz AMUSGNNTJIZWJF-UHFFFAOYSA-N 0 0 318.377 0.456 50 0 DCAARN CCOC(=O)[C@H]1CCCN(Cc2oc(CO)cc(=O)c2O)C1 ZINC000021486714 182275258 /nfs/dbraw/zinc/27/52/58/182275258.db2.gz VOCYSLHXAAGZNE-JTQLQIEISA-N 0 0 311.334 0.613 50 0 DCAARN O=S(=O)(NC[C@H]1CCCO1)c1ccc(-n2cnnn2)cc1 ZINC000021523399 182278590 /nfs/dbraw/zinc/27/85/90/182278590.db2.gz XLJHFFWLASKJKG-LLVKDONJSA-N 0 0 309.351 0.120 50 0 DCAARN CCOC(=O)N1CCN(C(=O)CNC(=O)c2ccco2)CC1 ZINC000021894668 182296597 /nfs/dbraw/zinc/29/65/97/182296597.db2.gz MZJUTWWLMIYLIJ-UHFFFAOYSA-N 0 0 309.322 0.310 50 0 DCAARN CCC(=O)N(C)CCCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000022471530 182322901 /nfs/dbraw/zinc/32/29/01/182322901.db2.gz AVCUGRGPLKEXJD-UHFFFAOYSA-N 0 0 316.361 0.911 50 0 DCAARN CC(C)C(=O)NCCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000022470628 182322935 /nfs/dbraw/zinc/32/29/35/182322935.db2.gz MZLYXRYOHORPHU-UHFFFAOYSA-N 0 0 302.334 0.425 50 0 biogenic DCAARN CC(=O)Cn1c(CN2CCN(C)CC2)nc2ccccc2c1=O ZINC000022927207 182341760 /nfs/dbraw/zinc/34/17/60/182341760.db2.gz VBGLJJZXYWAVRL-UHFFFAOYSA-N 0 0 314.389 0.733 50 0 DCAARN Cc1cccc(NC(=O)CN2CCN(CC(N)=O)CC2)c1C ZINC000022927232 182341984 /nfs/dbraw/zinc/34/19/84/182341984.db2.gz TWAJVDPNFAYXIU-UHFFFAOYSA-N 0 0 304.394 0.345 50 0 DCAARN C[C@H](C(=O)NC1CCCC1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000023256964 182354946 /nfs/dbraw/zinc/35/49/46/182354946.db2.gz PRWQGWALDUCINE-CYBMUJFWSA-N 0 0 322.453 0.330 50 0 DCAARN CC(=O)N1CCN(Cc2nnnn2-c2ccc(C)cc2)CC1 ZINC000023134599 182350130 /nfs/dbraw/zinc/35/01/30/182350130.db2.gz IVKHTZCVYXIWKH-UHFFFAOYSA-N 0 0 300.366 0.635 50 0 DCAARN CN1C(=O)c2ccc(NC(=O)c3ccc(=O)n(C)n3)cc2C1=O ZINC000024020678 182372533 /nfs/dbraw/zinc/37/25/33/182372533.db2.gz RSFHRGHTEPRFJM-UHFFFAOYSA-N 0 0 312.285 0.258 50 0 DCAARN NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc[nH]c2=O)cc1 ZINC000024610562 182385141 /nfs/dbraw/zinc/38/51/41/182385141.db2.gz GGILOAMWFWQVNT-UHFFFAOYSA-N 0 0 321.358 0.093 50 0 DCAARN Cn1cnnc1C1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 ZINC000024692451 182387885 /nfs/dbraw/zinc/38/78/85/182387885.db2.gz BCCSFZSJBYHJMX-GFCCVEGCSA-N 0 0 320.397 0.312 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Cc1ccc(OC)cc1 ZINC000025033543 182399535 /nfs/dbraw/zinc/39/95/35/182399535.db2.gz KFUFMOZIAFVCHL-CYBMUJFWSA-N 0 0 320.345 0.128 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)NCCNC(=O)c2ccco2)CC1=O ZINC000029786913 182577242 /nfs/dbraw/zinc/57/72/42/182577242.db2.gz TYBURSGVGMYRCH-LBPRGKRZSA-N 0 0 321.377 0.630 50 0 DCAARN CC(=O)N1CCN(C(=O)CNC(=O)c2ccc(C)s2)CC1 ZINC000033023709 182689533 /nfs/dbraw/zinc/68/95/33/182689533.db2.gz QFFTUCBDIIXEKJ-UHFFFAOYSA-N 0 0 309.391 0.477 50 0 DCAARN C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccco1 ZINC000036386134 182821583 /nfs/dbraw/zinc/82/15/83/182821583.db2.gz WNUVHCAPHDSJSJ-RYUDHWBXSA-N 0 0 314.407 0.745 50 0 DCAARN O=C(c1ccccc1)N1CCN2C(=O)[C@H]3CCCN3C(=O)[C@H]2C1 ZINC000014750372 296259960 /nfs/dbraw/zinc/25/99/60/296259960.db2.gz WROICSDOZWXBBV-ZIAGYGMSSA-N 0 0 313.357 0.344 50 0 DCAARN NS(=O)(=O)c1ccc(CNC(=O)c2ccc[nH]c2=O)s1 ZINC000040216688 183046553 /nfs/dbraw/zinc/04/65/53/183046553.db2.gz ATSQPRJGAKJVMX-UHFFFAOYSA-N 0 0 313.360 0.014 50 0 DCAARN O=C(CCn1c(=O)oc2ccccc21)N[C@H]1CCS(=O)(=O)C1 ZINC000040468054 183073269 /nfs/dbraw/zinc/07/32/69/183073269.db2.gz DNCSLSUEJZLIAD-JTQLQIEISA-N 0 0 324.358 0.288 50 0 DCAARN CC(=O)N1CCc2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000040475503 183074281 /nfs/dbraw/zinc/07/42/81/183074281.db2.gz XJXPJBYHQRLVEW-CYBMUJFWSA-N 0 0 322.386 0.513 50 0 DCAARN O=C(CN1CCC[C@H](O)C1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000040477522 183075743 /nfs/dbraw/zinc/07/57/43/183075743.db2.gz BQNKPWHMHHWOFG-HNNXBMFYSA-N 0 0 317.389 0.974 50 0 DCAARN CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000040494334 183080827 /nfs/dbraw/zinc/08/08/27/183080827.db2.gz HXXXVVIXNJTXNS-JTQLQIEISA-N 0 0 319.404 0.547 50 0 DCAARN CNS(=O)(=O)c1ccc(CNC(=O)c2cnccn2)cc1 ZINC000040498975 183082962 /nfs/dbraw/zinc/08/29/62/183082962.db2.gz COTRPAKCIPIHKR-UHFFFAOYSA-N 0 0 306.347 0.315 50 0 DCAARN Cc1cc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)n(C)n1 ZINC000040512247 183087311 /nfs/dbraw/zinc/08/73/11/183087311.db2.gz MNIUHCDQYYQQID-UHFFFAOYSA-N 0 0 322.390 0.947 50 0 DCAARN CNS(=O)(=O)c1ccc(CCC(=O)Nc2cn[nH]c2)cc1 ZINC000040512168 183087430 /nfs/dbraw/zinc/08/74/30/183087430.db2.gz AXZNBSZRVDVFAR-UHFFFAOYSA-N 0 0 308.363 0.889 50 0 DCAARN COCCN1C[C@H](C(=O)NCc2cccnc2N(C)C)CC1=O ZINC000040534596 183094729 /nfs/dbraw/zinc/09/47/29/183094729.db2.gz DOOXCHBEKOQIKN-CYBMUJFWSA-N 0 0 320.393 0.259 50 0 DCAARN Cc1cccc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)n1 ZINC000040542836 183098341 /nfs/dbraw/zinc/09/83/41/183098341.db2.gz GPNXUMCENUKPNM-LBPRGKRZSA-N 0 0 311.407 0.791 50 0 DCAARN CCCOc1ccc(S(=O)(=O)N(CCO)CCO)cc1 ZINC000040764520 183131683 /nfs/dbraw/zinc/13/16/83/183131683.db2.gz NGFYPAXLSPIKNV-UHFFFAOYSA-N 0 0 303.380 0.451 50 0 DCAARN Cn1nc(C(=O)N2CCOCC2)cc1NC(=O)c1ccco1 ZINC000040745767 183128201 /nfs/dbraw/zinc/12/82/01/183128201.db2.gz FWQHQEIBRHDHND-UHFFFAOYSA-N 0 0 304.306 0.738 50 0 DCAARN COc1ccc(S(=O)(=O)N(CCO)CCO)c(C)c1C ZINC000041096520 183165627 /nfs/dbraw/zinc/16/56/27/183165627.db2.gz FODGNNNRMGOBDB-UHFFFAOYSA-N 0 0 303.380 0.287 50 0 DCAARN O=C(NC[C@@H]1CCOC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000041369699 183187229 /nfs/dbraw/zinc/18/72/29/183187229.db2.gz JQOIBWGWPBOBPU-LBPRGKRZSA-N 0 0 324.402 0.993 50 0 DCAARN C[C@@H]1CN(CCNC(=O)CN2CCSC2=O)C[C@@H](C)O1 ZINC000041943746 183225863 /nfs/dbraw/zinc/22/58/63/183225863.db2.gz HMIINONVGPPWNL-GHMZBOCLSA-N 0 0 301.412 0.381 50 0 DCAARN CCCn1nc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)ccc1=O ZINC000042008979 183228675 /nfs/dbraw/zinc/22/86/75/183228675.db2.gz HULVFBQLQGNUAR-GFCCVEGCSA-N 0 0 306.366 0.346 50 0 DCAARN Cc1ccoc1C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000041672377 183215389 /nfs/dbraw/zinc/21/53/89/183215389.db2.gz IMYMIRJQJRRGEO-LLVKDONJSA-N 0 0 300.380 0.989 50 0 DCAARN C[C@H](Cn1cccn1)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000042502572 183277641 /nfs/dbraw/zinc/27/76/41/183277641.db2.gz IDHXWDRUBMIVLQ-VXGBXAGGSA-N 0 0 314.411 0.059 50 0 DCAARN COC(=O)c1cc(S(N)(=O)=O)ccc1NC[C@@H]1CCCO1 ZINC000042623048 183292088 /nfs/dbraw/zinc/29/20/88/183292088.db2.gz WJBQCOYIARAUQI-VIFPVBQESA-N 0 0 314.363 0.712 50 0 DCAARN O=C(NCCn1ccnc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000042720672 183301602 /nfs/dbraw/zinc/30/16/02/183301602.db2.gz PBXBVOUWVQCZKT-CYBMUJFWSA-N 0 0 313.361 0.443 50 0 DCAARN C[C@H](C(=O)N(C)Cc1ccccc1)N1CCN(CCO)CC1 ZINC000043305544 183353326 /nfs/dbraw/zinc/35/33/26/183353326.db2.gz RPIHECDHKZEAMG-OAHLLOKOSA-N 0 0 305.422 0.643 50 0 DCAARN COc1ccccc1[C@@H](O)CNC(=O)NCCn1ccnc1 ZINC000043311126 183354652 /nfs/dbraw/zinc/35/46/52/183354652.db2.gz OSXDPWJMUNQSGO-ZDUSSCGKSA-N 0 0 304.350 0.925 50 0 DCAARN Cn1ncc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1-n1cccc1 ZINC000043076055 183334094 /nfs/dbraw/zinc/33/40/94/183334094.db2.gz WAXDFFMRQLXUAL-JTQLQIEISA-N 0 0 308.363 0.128 50 0 DCAARN O=C(NCCc1ccc2c(c1)OCO2)N[C@@H]1CCCCNC1=O ZINC000043888482 183389277 /nfs/dbraw/zinc/38/92/77/183389277.db2.gz JYYVRSLCQHWLGY-GFCCVEGCSA-N 0 0 319.361 0.926 50 0 DCAARN C[C@H](NC(=O)CCn1cncn1)c1nnc2n1CCCCC2 ZINC000043975389 183391298 /nfs/dbraw/zinc/39/12/98/183391298.db2.gz YYTPRQOZWXOHCQ-NSHDSACASA-N 0 0 303.370 0.864 50 0 DCAARN CN(C(=O)[C@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 ZINC000044873154 183445175 /nfs/dbraw/zinc/44/51/75/183445175.db2.gz YQMVGHOJJLONAV-ZWNOBZJWSA-N 0 0 311.359 0.472 50 0 DCAARN CNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)OC[C@@H]2C)c1 ZINC000045448781 183509477 /nfs/dbraw/zinc/50/94/77/183509477.db2.gz AAMZKXRLAHWSEP-WDEREUQCSA-N 0 0 312.391 0.844 50 0 DCAARN CC(C)N1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000048309754 183641943 /nfs/dbraw/zinc/64/19/43/183641943.db2.gz WSYSYHKNUYYJCK-UHFFFAOYSA-N 0 0 311.407 0.500 50 0 DCAARN COCCN1CCN(CC(=O)Nc2cc(C)nn2C)C[C@@H]1C ZINC000106776672 194251529 /nfs/dbraw/zinc/25/15/29/194251529.db2.gz LLBRBZOQSIIXSM-ZDUSSCGKSA-N 0 0 309.414 0.320 50 0 DCAARN O=C(c1ncccc1O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299799703 296306079 /nfs/dbraw/zinc/30/60/79/296306079.db2.gz YNKPYBGWSDZILR-JQWIXIFHSA-N 0 0 301.306 0.365 50 0 DCAARN O=C(NCCS(=O)(=O)c1ccccc1)c1cccc[n+]1[O-] ZINC000053560590 183906146 /nfs/dbraw/zinc/90/61/46/183906146.db2.gz ZHOLPQXXAJNZDF-UHFFFAOYSA-N 0 0 306.343 0.524 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCNC2=O)cc1 ZINC000054321109 183934062 /nfs/dbraw/zinc/93/40/62/183934062.db2.gz LOMMKTOUZYYHHW-LLVKDONJSA-N 0 0 323.374 0.133 50 0 DCAARN CC(=O)N1CCCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CC1 ZINC000056282655 184009367 /nfs/dbraw/zinc/00/93/67/184009367.db2.gz DETJUHHQLOSJLS-UHFFFAOYSA-N 0 0 306.366 0.010 50 0 DCAARN CN(C(=O)CC[C@H]1NC(=O)NC1=O)C1Cc2ccccc2C1 ZINC000056299913 184009871 /nfs/dbraw/zinc/00/98/71/184009871.db2.gz QMUPLDKSHUZZEI-CYBMUJFWSA-N 0 0 301.346 0.600 50 0 DCAARN CCc1cccc(N2C[C@@H](C(=O)NC(C)(C)C(N)=O)CC2=O)c1 ZINC000057050948 184026003 /nfs/dbraw/zinc/02/60/03/184026003.db2.gz VCCQLPANFLBXBQ-LBPRGKRZSA-N 0 0 317.389 0.982 50 0 DCAARN COc1ccc(-n2ccc(C(=O)NC(C)(C)C(N)=O)n2)cc1 ZINC000057258529 184030928 /nfs/dbraw/zinc/03/09/28/184030928.db2.gz GLACKEAODWRLFR-UHFFFAOYSA-N 0 0 302.334 0.875 50 0 DCAARN C[C@H]1CCCN(C(=O)c2cc(OCC(=O)N(C)C)n(C)n2)C1 ZINC000057312697 184032975 /nfs/dbraw/zinc/03/29/75/184032975.db2.gz VOBROBWLFCDIFA-NSHDSACASA-N 0 0 308.382 0.759 50 0 DCAARN COC(=O)c1c[nH]nc1S(=O)(=O)N(C)c1ccc(C)cc1 ZINC000057478155 184039980 /nfs/dbraw/zinc/03/99/80/184039980.db2.gz CLCRSEAEATYPCU-LLVKDONJSA-N 0 0 309.347 0.948 50 0 DCAARN NC(=O)[C@H]1CCCN1Cc1nc(N)nc(Nc2ccccc2)n1 ZINC000058138690 184079947 /nfs/dbraw/zinc/07/99/47/184079947.db2.gz ANELNAQSIPZJDB-LLVKDONJSA-N 0 0 313.365 0.647 50 0 DCAARN Cc1cc(NC(=O)Cn2c(=O)onc2-c2cccnc2)no1 ZINC000058147752 184081086 /nfs/dbraw/zinc/08/10/86/184081086.db2.gz MRRDRWHITDZYML-UHFFFAOYSA-N 0 0 301.262 0.833 50 0 DCAARN O=C1NCCN(Cc2cc(F)ccc2-n2cccn2)[C@H]1CCO ZINC000067741369 284888168 /nfs/dbraw/zinc/88/81/68/284888168.db2.gz MZZVFRBWHJXKIE-HNNXBMFYSA-N 0 0 318.352 0.694 50 0 DCAARN CCN(CCOC(C)(C)C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000058245807 184094357 /nfs/dbraw/zinc/09/43/57/184094357.db2.gz CVJFUFUBYQNPIX-LBPRGKRZSA-N 0 0 320.455 0.427 50 0 DCAARN CS(=O)(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000058265447 184095932 /nfs/dbraw/zinc/09/59/32/184095932.db2.gz IZTGMWHFSRHLDH-QMMMGPOBSA-N 0 0 307.169 0.525 50 0 DCAARN CC[C@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000058282048 184099492 /nfs/dbraw/zinc/09/94/92/184099492.db2.gz VCDUEOJISWTRMG-VIFPVBQESA-N 0 0 306.409 0.672 50 0 DCAARN O=C(CN1CCC(c2ccnn2CCO)CC1)NCC1CC1 ZINC000058298986 184102695 /nfs/dbraw/zinc/10/26/95/184102695.db2.gz ITEUGEVPQLHDIM-UHFFFAOYSA-N 0 0 306.410 0.581 50 0 DCAARN CCOC(=O)CCNC(=O)[C@H](CCSC)NC(=O)CC ZINC000058324649 184105123 /nfs/dbraw/zinc/10/51/23/184105123.db2.gz GMIKACGYKOHXNX-JTQLQIEISA-N 0 0 304.412 0.704 50 0 DCAARN CCOC(=O)CCNC(=O)c1cc(Cl)ccc1-n1cnnn1 ZINC000058326412 184105816 /nfs/dbraw/zinc/10/58/16/184105816.db2.gz UFMMWEAZJROGHS-UHFFFAOYSA-N 0 0 323.740 0.999 50 0 DCAARN CN(C)c1ccc(C(=O)NCCN2CCCS2(=O)=O)cc1 ZINC000058406120 184113582 /nfs/dbraw/zinc/11/35/82/184113582.db2.gz QSIUBXXLFBIPGD-UHFFFAOYSA-N 0 0 311.407 0.518 50 0 DCAARN CCC1(CC)NC(=O)N(CC(=O)O[C@H]2C[C@@H](C)OC2=O)C1=O ZINC000060891848 184157498 /nfs/dbraw/zinc/15/74/98/184157498.db2.gz RIMUZEBPNCMIFA-BDAKNGLRSA-N 0 0 312.322 0.344 50 0 DCAARN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)C2CC2)cc1 ZINC000062021783 184201907 /nfs/dbraw/zinc/20/19/07/184201907.db2.gz RXVIUWGSJHUVTP-MRXNPFEDSA-N 0 0 320.345 0.689 50 0 DCAARN COc1ccc(CNC(=O)CNC(=O)NC[C@@H]2CCCO2)cc1 ZINC000064430022 184296506 /nfs/dbraw/zinc/29/65/06/184296506.db2.gz KESOMRLITDOYAP-AWEZNQCLSA-N 0 0 321.377 0.790 50 0 DCAARN CCC(=O)N1CCc2cc(CNC(=O)NCC(=O)OC)ccc21 ZINC000064969079 184307381 /nfs/dbraw/zinc/30/73/81/184307381.db2.gz MVADPROWMCKLQN-UHFFFAOYSA-N 0 0 319.361 0.958 50 0 DCAARN CCOC(=O)[C@H](C)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000065209128 184314618 /nfs/dbraw/zinc/31/46/18/184314618.db2.gz VPTZCJXVHJAZKP-AWEZNQCLSA-N 0 0 311.426 0.568 50 0 DCAARN CN(C)c1cc(O[C@@H]2CCN(C(=O)c3cnccn3)C2)ncn1 ZINC000065269295 184320366 /nfs/dbraw/zinc/32/03/66/184320366.db2.gz CVLZIPBRIHSECH-LLVKDONJSA-N 0 0 314.349 0.626 50 0 DCAARN COCCNC(=O)c1cccc(N(C)S(C)(=O)=O)c1C ZINC000065364850 184328638 /nfs/dbraw/zinc/32/86/38/184328638.db2.gz MMYJIQQOUPCEGJ-UHFFFAOYSA-N 0 0 300.380 0.767 50 0 DCAARN COCCn1cnnc1-c1nc2c([nH]1)C(=O)NCC(C)(C)C2 ZINC000065374496 184331039 /nfs/dbraw/zinc/33/10/39/184331039.db2.gz RXQUEXQRBSNZEH-UHFFFAOYSA-N 0 0 304.354 0.627 50 0 DCAARN NC(=O)c1cnc2n1CCN(C(=O)[C@@H]1CC(=O)c3ccccc31)C2 ZINC000065409400 184339870 /nfs/dbraw/zinc/33/98/70/184339870.db2.gz IXIPIZKHHYQMGL-GFCCVEGCSA-N 0 0 324.340 0.694 50 0 DCAARN COc1ccc(NCC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000065493255 184354270 /nfs/dbraw/zinc/35/42/70/184354270.db2.gz AQCYEGLXKYJNDQ-NSHDSACASA-N 0 0 312.391 0.719 50 0 DCAARN NS(=O)(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000065427689 184343469 /nfs/dbraw/zinc/34/34/69/184343469.db2.gz VZRNNOOIAKBZIR-UHFFFAOYSA-N 0 0 311.407 0.403 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)NCc2ccc(C)n2C)CC1 ZINC000065440527 184345603 /nfs/dbraw/zinc/34/56/03/184345603.db2.gz SFLOABSXMSLOCS-UHFFFAOYSA-N 0 0 321.425 0.343 50 0 DCAARN CC(=O)NCCNC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000065458115 184348400 /nfs/dbraw/zinc/34/84/00/184348400.db2.gz QNIGUTXJSREDOH-UHFFFAOYSA-N 0 0 323.418 0.853 50 0 DCAARN COCCN1C[C@H](C(=O)N(C)Cc2csc(C)n2)CC1=O ZINC000065488840 184352931 /nfs/dbraw/zinc/35/29/31/184352931.db2.gz UHEKTKRVBJGTHK-LLVKDONJSA-N 0 0 311.407 0.905 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)CCc2nc(-c3ccco3)no2)C1 ZINC000065487890 184353010 /nfs/dbraw/zinc/35/30/10/184353010.db2.gz NABDSPUWAJFUIA-VIFPVBQESA-N 0 0 304.306 0.596 50 0 DCAARN COCc1nc(C(=O)NCC2(C(N)=O)CCOCC2)cs1 ZINC000065487880 184353136 /nfs/dbraw/zinc/35/31/36/184353136.db2.gz RGLVSNRNNNDLDY-UHFFFAOYSA-N 0 0 313.379 0.301 50 0 DCAARN C[C@@H]1CN(C(=O)CN2C=Nc3ccccc3S2(=O)=O)CCO1 ZINC000065562885 184365967 /nfs/dbraw/zinc/36/59/67/184365967.db2.gz PJRDCDHPOYOLGD-LLVKDONJSA-N 0 0 323.374 0.598 50 0 DCAARN C[C@H]1CN(C(=O)Cn2c(=O)onc2-c2ccccc2)CCO1 ZINC000065566388 184367334 /nfs/dbraw/zinc/36/73/34/184367334.db2.gz SGEDMIRLQICYBN-NSHDSACASA-N 0 0 303.318 0.751 50 0 DCAARN O=C(N1CCN2CCNC(=O)[C@H]2C1)C1(c2ccccc2F)CC1 ZINC000065496813 184354989 /nfs/dbraw/zinc/35/49/89/184354989.db2.gz DCTQYLKNJNRFSF-CQSZACIVSA-N 0 0 317.364 0.500 50 0 DCAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000065516811 184358458 /nfs/dbraw/zinc/35/84/58/184358458.db2.gz LOUDNTMDTKBLHW-JSGCOSHPSA-N 0 0 323.393 0.481 50 0 DCAARN Cc1nc(CCNC(=O)CN2C(=O)NC(=O)C2(C)C)sc1C ZINC000067677516 184478897 /nfs/dbraw/zinc/47/88/97/184478897.db2.gz BQWIARWTLCOYCH-UHFFFAOYSA-N 0 0 324.406 0.749 50 0 DCAARN COCc1nc(CN2CCNC(=O)[C@H]2Cc2ccccc2)no1 ZINC000343915726 253722079 /nfs/dbraw/zinc/72/20/79/253722079.db2.gz XLYBGFMKRVMNJL-CYBMUJFWSA-N 0 0 316.361 0.759 50 0 DCAARN C[C@@H]1CCC[C@@H](NC(=O)NC(=O)CN2CCNC(=O)C2)[C@@H]1C ZINC000014183495 296438898 /nfs/dbraw/zinc/43/88/98/296438898.db2.gz SZPATKVSTWQRCM-IJLUTSLNSA-N 0 0 310.398 0.069 50 0 DCAARN CN(C)S(=O)(=O)CC(=O)OCc1cc2ccccc2[nH]c1=O ZINC000096010295 256551219 /nfs/dbraw/zinc/55/12/19/256551219.db2.gz XLPXQRKFPIAFQC-UHFFFAOYSA-N 0 0 324.358 0.463 50 0 DCAARN COc1cncc(O[C@H]2CCCN(C(=O)N3CCOCC3)C2)n1 ZINC000225501292 256596013 /nfs/dbraw/zinc/59/60/13/256596013.db2.gz YHXDVQHUXYMROL-LBPRGKRZSA-N 0 0 322.365 0.781 50 0 DCAARN Cn1nnc(-c2cccc(NC(=O)N3CCC[C@@H]3C(N)=O)c2)n1 ZINC000426620020 257244956 /nfs/dbraw/zinc/24/49/56/257244956.db2.gz KJRRASHWPPBWFJ-LLVKDONJSA-N 0 0 315.337 0.359 50 0 DCAARN CCCc1nc(CN(CC)C(=O)NCCc2ncnn2C)no1 ZINC000426563109 257246867 /nfs/dbraw/zinc/24/68/67/257246867.db2.gz RVIPWUXTCKAZBH-UHFFFAOYSA-N 0 0 321.385 0.925 50 0 DCAARN Cc1cccc2nc(C(=O)NCCNS(C)(=O)=O)c(F)n21 ZINC000426465178 257250042 /nfs/dbraw/zinc/25/00/42/257250042.db2.gz LTATVYLXSQIFPI-UHFFFAOYSA-N 0 0 314.342 0.061 50 0 DCAARN CN1C[C@H](C(=O)NCCc2nc(-c3ccccn3)no2)CC1=O ZINC000426377926 257252744 /nfs/dbraw/zinc/25/27/44/257252744.db2.gz HHIAFMKEWWSWSX-SNVBAGLBSA-N 0 0 315.333 0.269 50 0 DCAARN NC(=O)[C@H](CNC(=O)c1ccc[nH]c1=O)Cc1ccc(F)cc1 ZINC000071826906 184857375 /nfs/dbraw/zinc/85/73/75/184857375.db2.gz WVSODJMHZVGDMF-NSHDSACASA-N 0 0 317.320 0.588 50 0 DCAARN CN(c1ccc2nnnn2n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000071859460 184872171 /nfs/dbraw/zinc/87/21/71/184872171.db2.gz VHUKTXFVVKNGHJ-LLVKDONJSA-N 0 0 311.353 0.415 50 0 DCAARN COC(=O)[C@](C)(NC(=O)Cn1cncn1)c1cc(F)ccc1F ZINC000071795870 184843828 /nfs/dbraw/zinc/84/38/28/184843828.db2.gz JEOUNBFHWLQPJW-CQSZACIVSA-N 0 0 324.287 0.761 50 0 DCAARN COC(=O)CN(CCNC(=O)OC(C)(C)C)CC(=O)OC ZINC000306145205 533496961 /nfs/dbraw/zinc/49/69/61/533496961.db2.gz KHKIDQBDSLQVGI-UHFFFAOYSA-N 0 0 304.343 0.159 50 0 DCAARN Cc1cc2c(cc1S(=O)(=O)N1CCCC1)n(C)c(=O)n2C ZINC000009607692 292012050 /nfs/dbraw/zinc/01/20/50/292012050.db2.gz CQGUHIKPAMMAQC-UHFFFAOYSA-N 0 0 309.391 0.970 50 0 DCAARN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)nc1)n1cccn1 ZINC000028514632 134670981 /nfs/dbraw/zinc/67/09/81/134670981.db2.gz UXSSPROBOIPKTJ-ZDUSSCGKSA-N 0 0 315.377 0.992 50 0 DCAARN CC1=C(C(=O)OCC(C)C)[C@]2(O)C(=O)c3ccccc3[C@@]2(O)N1 ZINC000008684268 395684888 /nfs/dbraw/zinc/68/48/88/395684888.db2.gz KKSGPNXLNMLXTO-IRXDYDNUSA-N 0 0 317.341 0.836 50 0 DCAARN CCOc1ccc(-n2nc(CO)c(C(=O)NCCCO)n2)cc1 ZINC000009204238 395685151 /nfs/dbraw/zinc/68/51/51/395685151.db2.gz STSOPMNMFNGBRM-UHFFFAOYSA-N 0 0 320.349 0.271 50 0 DCAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1 ZINC000009108957 395685223 /nfs/dbraw/zinc/68/52/23/395685223.db2.gz VYSBRYKWYRKNSW-VIFPVBQESA-N 0 0 316.317 0.843 50 0 DCAARN CC(C)OCCCNC(=O)c1c(O)nc2ccccn2c1=O ZINC000009830200 395685643 /nfs/dbraw/zinc/68/56/43/395685643.db2.gz ZPVMYMYENGHRPZ-UHFFFAOYSA-N 0 0 305.334 0.945 50 0 DCAARN CN(CC(=O)Nc1ccccc1Cl)[C@@H]1CC(=O)N(C)C1=O ZINC000010168090 395685933 /nfs/dbraw/zinc/68/59/33/395685933.db2.gz JBJNCQCIRVIUGT-LLVKDONJSA-N 0 0 309.753 0.968 50 0 DCAARN O=C(NCCCn1ccnc1)C(=O)NCc1ccc(F)cc1 ZINC000010326108 395686017 /nfs/dbraw/zinc/68/60/17/395686017.db2.gz VZTFYWHBIZSBTO-UHFFFAOYSA-N 0 0 304.325 0.845 50 0 DCAARN NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000010745921 395686140 /nfs/dbraw/zinc/68/61/40/395686140.db2.gz LVXNLWNAOWQYEP-SNVBAGLBSA-N 0 0 312.347 0.096 50 0 DCAARN C[C@@H](NC(N)=O)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000011147591 395686272 /nfs/dbraw/zinc/68/62/72/395686272.db2.gz MQJNOKJJFSRWQE-LLVKDONJSA-N 0 0 301.350 0.588 50 0 DCAARN Cc1nn(C)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000012015724 395686953 /nfs/dbraw/zinc/68/69/53/395686953.db2.gz KSMDGGMGKDVFCU-UHFFFAOYSA-N 0 0 322.390 0.348 50 0 DCAARN C=COCCNS(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1 ZINC000012363741 395687370 /nfs/dbraw/zinc/68/73/70/395687370.db2.gz YOOKYBSDWCQGKL-LBPRGKRZSA-N 0 0 310.375 0.729 50 0 DCAARN COCCN1C[C@H](C(=O)NCCc2ncccc2C)CCC1=O ZINC000012320409 395687537 /nfs/dbraw/zinc/68/75/37/395687537.db2.gz JFGYUQVTCWLFKC-CQSZACIVSA-N 0 0 319.405 0.934 50 0 DCAARN CN(C)c1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000012562815 395687870 /nfs/dbraw/zinc/68/78/70/395687870.db2.gz FAGRHEBHPXSOCA-UHFFFAOYSA-N 0 0 316.361 0.567 50 0 DCAARN C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ccccc1 ZINC000012774806 395687971 /nfs/dbraw/zinc/68/79/71/395687971.db2.gz MFQTWQUICLCFHM-TZMCWYRMSA-N 0 0 310.419 0.810 50 0 DCAARN O=C1OCC[C@@H]1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012790398 395687982 /nfs/dbraw/zinc/68/79/82/395687982.db2.gz CWBMMDPDOIAHQE-AWEZNQCLSA-N 0 0 324.402 0.450 50 0 DCAARN Cn1c(=O)c2cc(C(=O)NC3CCCCC3)cnc2n(C)c1=O ZINC000012816506 395688053 /nfs/dbraw/zinc/68/80/53/395688053.db2.gz ZMFPXVJJMUKZRL-UHFFFAOYSA-N 0 0 316.361 0.695 50 0 DCAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1nncs1 ZINC000012746940 395688067 /nfs/dbraw/zinc/68/80/67/395688067.db2.gz CKGDDJXAVUNKPJ-UHFFFAOYSA-N 0 0 306.303 0.635 50 0 DCAARN CC(C)CNC(=O)NC(=O)Cn1c2ccccc2n(C)c1=O ZINC000012909231 395688159 /nfs/dbraw/zinc/68/81/59/395688159.db2.gz LGPXNBCUAQLMOW-UHFFFAOYSA-N 0 0 304.350 0.822 50 0 DCAARN CC(=O)N[C@H](C)C(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC000012925614 395688168 /nfs/dbraw/zinc/68/81/68/395688168.db2.gz DYVHDXVGQSCRJU-SECBINFHSA-N 0 0 311.769 0.711 50 0 DCAARN CC(=O)N[C@@H](C(=O)N1CCN(c2nccs2)CC1)C(C)C ZINC000013001244 395688278 /nfs/dbraw/zinc/68/82/78/395688278.db2.gz WKYQRCBLPOVBRJ-GFCCVEGCSA-N 0 0 310.423 0.952 50 0 DCAARN COc1ccc(C(=O)Cn2cc(C)c(=O)[nH]c2=O)c(OC)c1 ZINC000012971579 395688291 /nfs/dbraw/zinc/68/82/91/395688291.db2.gz HQHNNCVNLZJAMO-UHFFFAOYSA-N 0 0 304.302 0.745 50 0 DCAARN COCCNC(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC000014014696 395688977 /nfs/dbraw/zinc/68/89/77/395688977.db2.gz PPTUEPSDGFORDB-UHFFFAOYSA-N 0 0 300.380 0.155 50 0 DCAARN C[C@H](Sc1nnnn1C)C(=O)NC(=O)NCc1ccccc1 ZINC000014093281 395689105 /nfs/dbraw/zinc/68/91/05/395689105.db2.gz CNBKIQDEOHLCCE-VIFPVBQESA-N 0 0 320.378 0.717 50 0 DCAARN Cc1nc(CN2CCN(c3ccc4nnnn4n3)CC2)cs1 ZINC000014137998 395689189 /nfs/dbraw/zinc/68/91/89/395689189.db2.gz DKZWAHQIHKDFGM-UHFFFAOYSA-N 0 0 316.394 0.606 50 0 DCAARN Cc1csc(=O)n1CCOC(=O)c1nc2nccc(C)n2n1 ZINC000014159857 395689196 /nfs/dbraw/zinc/68/91/96/395689196.db2.gz VDRZHYONOYWBIS-UHFFFAOYSA-N 0 0 319.346 0.821 50 0 DCAARN COC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000014193014 395689305 /nfs/dbraw/zinc/68/93/05/395689305.db2.gz MBHMLZWODJGKCG-UHFFFAOYSA-N 0 0 312.391 0.474 50 0 DCAARN C[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000014244560 395689421 /nfs/dbraw/zinc/68/94/21/395689421.db2.gz BBGOBENZBUNWKG-JQWIXIFHSA-N 0 0 303.366 0.825 50 0 DCAARN CC(=O)c1ccc(OC[C@@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000014251266 395689473 /nfs/dbraw/zinc/68/94/73/395689473.db2.gz RKRBNXBXUMAWAW-LBPRGKRZSA-N 0 0 320.345 0.959 50 0 DCAARN CC(=O)NCC(=O)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000014979011 395689827 /nfs/dbraw/zinc/68/98/27/395689827.db2.gz SNHUFUBMLCCPNP-AWEZNQCLSA-N 0 0 321.352 0.221 50 0 DCAARN COC(=O)CNC(=O)c1nn(-c2ccccc2)c(C)cc1=O ZINC000017440840 395690818 /nfs/dbraw/zinc/69/08/18/395690818.db2.gz BIKGYAWIRMIZQN-UHFFFAOYSA-N 0 0 301.302 0.444 50 0 DCAARN O=C(CN1CCOCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000020405063 395691281 /nfs/dbraw/zinc/69/12/81/395691281.db2.gz UEUXLWGDFCFTBX-UHFFFAOYSA-N 0 0 305.378 0.794 50 0 DCAARN CN(C)C(=O)c1cccc(NCC(=O)NC(=O)NC2CC2)c1 ZINC000023902343 395692623 /nfs/dbraw/zinc/69/26/23/395692623.db2.gz CBCJHFIHJSNBFE-UHFFFAOYSA-N 0 0 304.350 0.789 50 0 DCAARN O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCNC2=O)CC1 ZINC000000047118 395679657 /nfs/dbraw/zinc/67/96/57/395679657.db2.gz ZRNGMWFHULEGLE-NSHDSACASA-N 0 0 305.334 0.090 50 0 DCAARN CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCCC1 ZINC000000051142 395679693 /nfs/dbraw/zinc/67/96/93/395679693.db2.gz SUPJZLDXQBQZKM-UHFFFAOYSA-N 0 0 307.314 0.005 50 0 DCAARN CNC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(O)c(OC)c1 ZINC000000083270 395679836 /nfs/dbraw/zinc/67/98/36/395679836.db2.gz NMZRLXPTHGSFHW-GFCCVEGCSA-N 0 0 307.375 0.940 50 0 DCAARN CCS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000000120069 395679863 /nfs/dbraw/zinc/67/98/63/395679863.db2.gz AQTZIMLAUBWICR-UHFFFAOYSA-N 0 0 300.355 0.933 50 0 DCAARN Cn1c(Oc2ccccc2N)nc2c1c(=O)n(C)c(=O)n2C ZINC000000528661 395680600 /nfs/dbraw/zinc/68/06/00/395680600.db2.gz GWYXWAVJYGUPDJ-UHFFFAOYSA-N 0 0 301.306 0.345 50 0 DCAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1C(N)=O ZINC000000991134 395680734 /nfs/dbraw/zinc/68/07/34/395680734.db2.gz FEHKHSJOXCVTHS-PHIMTYICSA-N 0 0 312.391 0.892 50 0 DCAARN O=C(CS(=O)(=O)c1ccccc1Cl)N1CCOCC1 ZINC000001400555 395680750 /nfs/dbraw/zinc/68/07/50/395680750.db2.gz BOZQXAHQBUIYHY-UHFFFAOYSA-N 0 0 303.767 0.973 50 0 DCAARN COC(=O)[C@H](CC[S@@](C)=O)N1C(=O)c2ccccc2C1=O ZINC000002025805 395681338 /nfs/dbraw/zinc/68/13/38/395681338.db2.gz DGMCKCSWJWXVQK-MQJDWESPSA-N 0 0 309.343 0.593 50 0 DCAARN COC(=O)c1ccccc1NC(=O)C(=O)NC[C@H]1CCCO1 ZINC000002284874 395681370 /nfs/dbraw/zinc/68/13/70/395681370.db2.gz OWWNRLUJMCPCTO-SNVBAGLBSA-N 0 0 306.318 0.707 50 0 DCAARN C[C@@H](C(=O)NC(N)=O)N1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000002645853 395681685 /nfs/dbraw/zinc/68/16/85/395681685.db2.gz RHUOAINZKRSBII-RMLUDKJBSA-N 0 0 304.306 0.037 50 0 DCAARN COCCn1c2ccccc2nc1SCC(=O)NC(N)=O ZINC000002621207 395681711 /nfs/dbraw/zinc/68/17/11/395681711.db2.gz ROONIOLECKPQFT-UHFFFAOYSA-N 0 0 308.363 0.970 50 0 DCAARN CN(Cc1ccnn1C)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000002804077 395681906 /nfs/dbraw/zinc/68/19/06/395681906.db2.gz OEVKQEDPJZXALT-UHFFFAOYSA-N 0 0 314.411 0.050 50 0 DCAARN COCCNC(=O)NC(=O)N(C1CCCCC1)S(C)(=O)=O ZINC000003214990 395682451 /nfs/dbraw/zinc/68/24/51/395682451.db2.gz GONRVLUZBIPSSR-UHFFFAOYSA-N 0 0 321.399 0.646 50 0 DCAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CCCN3Cc1ccco1 ZINC000004249250 395682468 /nfs/dbraw/zinc/68/24/68/395682468.db2.gz GCEDEZROTFCPGC-UHFFFAOYSA-N 0 0 315.333 0.437 50 0 DCAARN O=C(CN1CCN(C[C@@H](O)c2ccco2)CC1)NC1CCCC1 ZINC000085436883 395700561 /nfs/dbraw/zinc/70/05/61/395700561.db2.gz QWSDYYYZLDSRDZ-OAHLLOKOSA-N 0 0 321.421 0.989 50 0 DCAARN CC(=O)c1cccc(NCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000029980204 395701516 /nfs/dbraw/zinc/70/15/16/395701516.db2.gz MGCVNCKDRHCHPT-CQSZACIVSA-N 0 0 324.402 0.947 50 0 DCAARN Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCCn1cccn1 ZINC000030168199 395702039 /nfs/dbraw/zinc/70/20/39/395702039.db2.gz KMWYUJVKIVVFCQ-UHFFFAOYSA-N 0 0 322.390 0.659 50 0 DCAARN CC(C)Cn1nnnc1S[C@@H](C(=O)NC(N)=O)C(C)C ZINC000030397027 395702563 /nfs/dbraw/zinc/70/25/63/395702563.db2.gz NEHOGDAHRMIVLO-MRVPVSSYSA-N 0 0 300.388 0.641 50 0 DCAARN COC(=O)[C@H](C)NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000036601591 395723873 /nfs/dbraw/zinc/72/38/73/395723873.db2.gz KWWCBFUMEADSTI-KWQFWETISA-N 0 0 319.317 0.454 50 0 DCAARN COC[C@@H](O)CN(C)C(=O)NCCc1cn2ccccc2n1 ZINC000089340101 395709988 /nfs/dbraw/zinc/70/99/88/395709988.db2.gz PPGVUXAEGDDSES-ZDUSSCGKSA-N 0 0 306.366 0.526 50 0 DCAARN CC(=O)N(C)CC(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000032296074 395710248 /nfs/dbraw/zinc/71/02/48/395710248.db2.gz OBBYGVZKCFGWGG-UHFFFAOYSA-N 0 0 306.366 0.013 50 0 DCAARN COC(=O)Cn1cc(CNC(=O)/C=C/c2cccc(F)c2)nn1 ZINC000089401009 395710922 /nfs/dbraw/zinc/71/09/22/395710922.db2.gz XGKFRWJXSBPETH-AATRIKPKSA-N 0 0 318.308 0.920 50 0 DCAARN CCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000032768069 395713128 /nfs/dbraw/zinc/71/31/28/395713128.db2.gz HUQFLMIPXJCQQZ-UHFFFAOYSA-N 0 0 315.395 0.566 50 0 DCAARN CC(=O)CCc1ccc(OC[C@@H](O)CN2CCNC(=O)C2)cc1 ZINC000032774685 395713282 /nfs/dbraw/zinc/71/32/82/395713282.db2.gz HNVQYRYQUDDSOF-HNNXBMFYSA-N 0 0 320.389 0.380 50 0 DCAARN CC(=O)N1CCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1cc(C)on1 ZINC000032776133 395713443 /nfs/dbraw/zinc/71/34/43/395713443.db2.gz QJMYSPDRANPZME-KOLCDFICSA-N 0 0 309.322 0.864 50 0 DCAARN Cc1cnc(C(=O)N2CCCN(CC(=O)N(C)C)CC2)cn1 ZINC000032831268 395714067 /nfs/dbraw/zinc/71/40/67/395714067.db2.gz FRLMAXROHYRDPC-UHFFFAOYSA-N 0 0 305.382 0.021 50 0 DCAARN CCCCNC(=O)Cc1noc(CSc2nncn2C)n1 ZINC000032913773 395714308 /nfs/dbraw/zinc/71/43/08/395714308.db2.gz SGHKPTRWQSPBQK-UHFFFAOYSA-N 0 0 310.383 0.949 50 0 DCAARN Cn1nc(C(=O)NCc2ccc(Cn3cncn3)cc2)ccc1=O ZINC000032870594 395714346 /nfs/dbraw/zinc/71/43/46/395714346.db2.gz KXQGORBCBMNCBV-UHFFFAOYSA-N 0 0 324.344 0.350 50 0 DCAARN CCOC(=O)c1ccc(N2CCC[C@H](S(N)(=O)=O)C2)nc1 ZINC000032923529 395714631 /nfs/dbraw/zinc/71/46/31/395714631.db2.gz WSTVYZKSNBRYRR-NSHDSACASA-N 0 0 313.379 0.516 50 0 DCAARN Cn1ccnc1Cn1nnc2c(cnn2-c2ccccc2)c1=O ZINC000089761474 395714934 /nfs/dbraw/zinc/71/49/34/395714934.db2.gz CYHLVPUFHUITOP-UHFFFAOYSA-N 0 0 307.317 0.759 50 0 DCAARN O=C([C@H]1CNC(=O)N1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000089800408 395715376 /nfs/dbraw/zinc/71/53/76/395715376.db2.gz BYNDYWUNZFANTP-VXGBXAGGSA-N 0 0 317.345 0.803 50 0 DCAARN CNC(=O)[C@@H]1CCCCN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000033209906 395716425 /nfs/dbraw/zinc/71/64/25/395716425.db2.gz IYNIMYMWRBDQRQ-LBPRGKRZSA-N 0 0 314.345 0.664 50 0 DCAARN O=C(CNC(=O)c1ccco1)Nc1n[nH]c(C(F)(F)F)n1 ZINC000036714248 395724489 /nfs/dbraw/zinc/72/44/89/395724489.db2.gz BOLGMHPJFOJEPS-UHFFFAOYSA-N 0 0 303.200 0.785 50 0 DCAARN CCOC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034914092 395718561 /nfs/dbraw/zinc/71/85/61/395718561.db2.gz AFCOFRSAZNSZDI-UHFFFAOYSA-N 0 0 312.391 0.556 50 0 DCAARN Cn1cnc(S(=O)(=O)NCCCn2ccnc2)c1Cl ZINC000035186409 395719346 /nfs/dbraw/zinc/71/93/46/395719346.db2.gz XQCGSXLTSCSBOR-UHFFFAOYSA-N 0 0 303.775 0.639 50 0 DCAARN O=C(NCCc1nc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000035222619 395719806 /nfs/dbraw/zinc/71/98/06/395719806.db2.gz PMBKDOYEQKEGEB-JTQLQIEISA-N 0 0 307.375 0.656 50 0 DCAARN CCCCNC(=O)[C@H]1CCCN(c2cc(=O)n(C)c(=O)n2C)C1 ZINC000035513440 395720921 /nfs/dbraw/zinc/72/09/21/395720921.db2.gz NXEIAJCGWNQFDL-LBPRGKRZSA-N 0 0 322.409 0.217 50 0 DCAARN Cc1cc(C(=O)NCCC(C)C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000035505548 395720946 /nfs/dbraw/zinc/72/09/46/395720946.db2.gz WTMNMYFMPORVHE-UHFFFAOYSA-N 0 0 318.377 0.717 50 0 DCAARN CCN1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000036067652 395721960 /nfs/dbraw/zinc/72/19/60/395721960.db2.gz CJXUVLMZVFQILV-UHFFFAOYSA-N 0 0 311.407 0.971 50 0 DCAARN NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000036390260 395723236 /nfs/dbraw/zinc/72/32/36/395723236.db2.gz IDXZVUSRUZPWPC-UHFFFAOYSA-N 0 0 317.798 0.132 50 0 DCAARN O=C1c2ccccc2C(=O)N1CN1CCN(c2cnccn2)CC1 ZINC000026662046 395694436 /nfs/dbraw/zinc/69/44/36/395694436.db2.gz DFKHNVBDQFNGBK-UHFFFAOYSA-N 0 0 323.356 0.852 50 0 DCAARN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cn1)n1cncn1 ZINC000027586413 395695259 /nfs/dbraw/zinc/69/52/59/395695259.db2.gz IKQAECSLPHHDKL-LLVKDONJSA-N 0 0 302.338 0.709 50 0 DCAARN O=C(NCCN1CCOCC1)c1ccc(Cn2cccn2)o1 ZINC000027981338 395695546 /nfs/dbraw/zinc/69/55/46/395695546.db2.gz ITQWCSZJEASFII-UHFFFAOYSA-N 0 0 304.350 0.586 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)[C@@H](C)n2cccn2)c2ccccc2O1 ZINC000028488911 395696032 /nfs/dbraw/zinc/69/60/32/395696032.db2.gz VKBQEXNAAWCKLA-RISCZKNCSA-N 0 0 314.345 0.984 50 0 DCAARN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccn(C)n1 ZINC000028497302 395696088 /nfs/dbraw/zinc/69/60/88/395696088.db2.gz MKPSHTXXDPIBIQ-JTQLQIEISA-N 0 0 300.384 0.563 50 0 DCAARN C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccn1 ZINC000028784420 395696280 /nfs/dbraw/zinc/69/62/80/395696280.db2.gz MGTGNYGHUIBBPQ-LLVKDONJSA-N 0 0 311.407 0.930 50 0 DCAARN CS(=O)(=O)N1CCN(CCC(=O)NC2CCCCC2)CC1 ZINC000028891696 395696369 /nfs/dbraw/zinc/69/63/69/395696369.db2.gz MJCLMNKVZGLVOM-UHFFFAOYSA-N 0 0 317.455 0.403 50 0 DCAARN CCNC(=O)NC(=O)CN1CCN(C(=O)C2CCCC2)CC1 ZINC000029661887 395699158 /nfs/dbraw/zinc/69/91/58/395699158.db2.gz DCFAIMCCYFYYEX-UHFFFAOYSA-N 0 0 310.398 0.167 50 0 DCAARN O=C(N1CCOCC1)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 ZINC000091656633 395726841 /nfs/dbraw/zinc/72/68/41/395726841.db2.gz WNJZRHRKEGZGSA-UONOGXRCSA-N 0 0 317.393 0.829 50 0 DCAARN O=C(N1CCC2(CC1)[C@H](O)C[C@@H]2O)C1(Cn2cccn2)CC1 ZINC000091808308 395727957 /nfs/dbraw/zinc/72/79/57/395727957.db2.gz VJXRBJADWYAFQX-BETUJISGSA-N 0 0 305.378 0.398 50 0 DCAARN CC(C)c1cc(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)nc2ncnn21 ZINC000096165167 395746691 /nfs/dbraw/zinc/74/66/91/395746691.db2.gz MCNUSCUVBIVCJT-SWLSCSKDSA-N 0 0 319.365 0.206 50 0 DCAARN Cc1n[nH]c(=O)c2cc(S(=O)(=O)N3CCCCCC3)cn21 ZINC000096102018 395744348 /nfs/dbraw/zinc/74/43/48/395744348.db2.gz UZDKGTPRAFUDQM-UHFFFAOYSA-N 0 0 310.379 0.896 50 0 DCAARN CS(=O)(=O)[C@H]1CCN(S(=O)(=O)CCc2ccccc2)C1 ZINC000096098097 395744415 /nfs/dbraw/zinc/74/44/15/395744415.db2.gz ASLQXMTVSMRADA-ZDUSSCGKSA-N 0 0 317.432 0.678 50 0 DCAARN CC(=O)N[C@H]1CCN(C(=O)Nc2ccc3[nH]c(=O)oc3c2)C1 ZINC000096131422 395745610 /nfs/dbraw/zinc/74/56/10/395745610.db2.gz MGKHHLQDVDAYDM-JTQLQIEISA-N 0 0 304.306 0.863 50 0 DCAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1nc[nH]n1 ZINC000096114967 395745633 /nfs/dbraw/zinc/74/56/33/395745633.db2.gz IYJBDSBMSYMUQY-NRPADANISA-N 0 0 310.383 0.469 50 0 biogenic DCAARN O=S(=O)(c1ccc(F)cc1)C1CN(S(=O)(=O)C2CC2)C1 ZINC000096121870 395745636 /nfs/dbraw/zinc/74/56/36/395745636.db2.gz OIVLDHYWOVEXNJ-UHFFFAOYSA-N 0 0 319.379 0.776 50 0 DCAARN Cc1c(F)cccc1N1CC[C@H](C(=O)NN2CCOCC2)C1=O ZINC000096280856 395752503 /nfs/dbraw/zinc/75/25/03/395752503.db2.gz ULNVPXKEMNXUTO-GFCCVEGCSA-N 0 0 321.352 0.850 50 0 DCAARN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cn[nH]n1 ZINC000096423778 395753260 /nfs/dbraw/zinc/75/32/60/395753260.db2.gz FLXLTAOISMBWLK-CYBMUJFWSA-N 0 0 314.393 0.745 50 0 DCAARN CC(C)C[C@@H](NC(=O)c1cnn(C)c1)C(=O)Nc1cc[nH]n1 ZINC000096446437 395753359 /nfs/dbraw/zinc/75/33/59/395753359.db2.gz OJAAYIUTOKOWMB-LLVKDONJSA-N 0 0 304.354 0.926 50 0 DCAARN O=C([C@H]1CCC(=O)N1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000096456096 395753690 /nfs/dbraw/zinc/75/36/90/395753690.db2.gz WAGXYOVPYXNEBF-GFCCVEGCSA-N 0 0 309.316 0.892 50 0 DCAARN CC(C)=CCN1CCN(C(=O)c2ccc(CO)o2)C[C@@H](O)C1 ZINC000097475103 395758179 /nfs/dbraw/zinc/75/81/79/395758179.db2.gz ALXKIOFNYDLNEY-ZDUSSCGKSA-N 0 0 308.378 0.857 50 0 DCAARN CCS(=O)(=O)NCCCn1nc(-c2cccs2)oc1=O ZINC000096494606 395754292 /nfs/dbraw/zinc/75/42/92/395754292.db2.gz OIMQNKBURULHOR-UHFFFAOYSA-N 0 0 317.392 0.894 50 0 DCAARN Cc1cn2c(n1)CC[C@@H](NC(=O)c1cccc(-n3cnnn3)c1)C2 ZINC000097198108 395755677 /nfs/dbraw/zinc/75/56/77/395755677.db2.gz LFDMRTAHXLOIML-CYBMUJFWSA-N 0 0 323.360 0.912 50 0 DCAARN CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCn2ccnc2C1 ZINC000097201429 395756000 /nfs/dbraw/zinc/75/60/00/395756000.db2.gz GNFFKGBQPTUVFH-AWEZNQCLSA-N 0 0 313.361 0.896 50 0 DCAARN Cn1nc(C(=O)NCc2noc(-c3ccco3)n2)ccc1=O ZINC000097244006 395756379 /nfs/dbraw/zinc/75/63/79/395756379.db2.gz IYDBDSYOHWQQPW-UHFFFAOYSA-N 0 0 301.262 0.353 50 0 DCAARN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCCCO ZINC000097367489 395756878 /nfs/dbraw/zinc/75/68/78/395756878.db2.gz QQVFYDWZRYCWFZ-CYBMUJFWSA-N 0 0 307.329 0.403 50 0 DCAARN COCC(=O)N1CCN(c2ncc(Br)cn2)CC1 ZINC000043057522 395751280 /nfs/dbraw/zinc/75/12/80/395751280.db2.gz RAOJLEAYRHHMPM-UHFFFAOYSA-N 0 0 315.171 0.534 50 0 DCAARN CN(CC(N)=O)C(=O)COc1ccc(Br)cc1 ZINC000046979674 395784214 /nfs/dbraw/zinc/78/42/14/395784214.db2.gz PFWRREQSWVRBCD-UHFFFAOYSA-N 0 0 301.140 0.772 50 0 DCAARN Cc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C)C[C@H]2C)cc1C(N)=O ZINC000107142717 395784901 /nfs/dbraw/zinc/78/49/01/395784901.db2.gz IXBOUKTXJQXCPC-ZWNOBZJWSA-N 0 0 311.407 0.322 50 0 DCAARN CNC(=O)C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(F)c(C)c1 ZINC000097547635 395758716 /nfs/dbraw/zinc/75/87/16/395758716.db2.gz OAULWJTUPUXBCC-LBPRGKRZSA-N 0 0 322.340 0.603 50 0 DCAARN Cc1n[nH]c(C)c1CC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000097568758 395758782 /nfs/dbraw/zinc/75/87/82/395758782.db2.gz MXUUEAOTILWPLI-AWEZNQCLSA-N 0 0 300.362 0.782 50 0 DCAARN Cc1cnc2c(C(=O)NCCS(=O)(=O)CC(C)C)cnn2c1 ZINC000097602627 395759408 /nfs/dbraw/zinc/75/94/08/395759408.db2.gz HZGACHKEANRFLD-UHFFFAOYSA-N 0 0 324.406 0.838 50 0 DCAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCCn2nnnc21 ZINC000097675574 395759579 /nfs/dbraw/zinc/75/95/79/395759579.db2.gz XOBJFXITYQWZIJ-LLVKDONJSA-N 0 0 315.333 0.986 50 0 DCAARN CC(=O)N1CCN(C(=O)C2(c3ccccc3F)CC2)C[C@@H](O)C1 ZINC000097675564 395759769 /nfs/dbraw/zinc/75/97/69/395759769.db2.gz YJQNKLRVQIPEGK-ZDUSSCGKSA-N 0 0 320.364 0.909 50 0 DCAARN Cc1[nH]c(=O)c(C(=O)N2CCS(=O)(=O)CC2)c(C)c1Cl ZINC000097757925 395760110 /nfs/dbraw/zinc/76/01/10/395760110.db2.gz XITLPJYINACDRF-UHFFFAOYSA-N 0 0 318.782 0.516 50 0 DCAARN Cn1c(=O)cc(C(=O)NCCOCc2ccccc2)n(C)c1=O ZINC000097805601 395760877 /nfs/dbraw/zinc/76/08/77/395760877.db2.gz RROXZJFFIDNUSB-UHFFFAOYSA-N 0 0 317.345 0.031 50 0 DCAARN O=C(NCCN1CCOCC1)c1cn2nc(Cl)ccc2n1 ZINC000097938909 395761366 /nfs/dbraw/zinc/76/13/66/395761366.db2.gz ZSNHFSJPZCOYQX-UHFFFAOYSA-N 0 0 309.757 0.445 50 0 DCAARN CCC(=O)Nc1ccc(C)n(CC(=O)N2CCOCC2)c1=O ZINC000097938244 395761418 /nfs/dbraw/zinc/76/14/18/395761418.db2.gz YFAMLMYOINNVFI-UHFFFAOYSA-N 0 0 307.350 0.364 50 0 DCAARN COC(=O)c1nnn(C[C@H](O)c2ccc(OC)cc2)c1CO ZINC000098211172 395762076 /nfs/dbraw/zinc/76/20/76/395762076.db2.gz MVGOYMQWFCJFDD-LBPRGKRZSA-N 0 0 307.306 0.299 50 0 DCAARN CCOC(=O)c1[nH]c(=O)[nH]c1CC1C(=O)CC(C)(C)CC1=O ZINC000100027335 395762121 /nfs/dbraw/zinc/76/21/21/395762121.db2.gz QPTDPLZEUQJSPH-UHFFFAOYSA-N 0 0 308.334 0.997 50 0 DCAARN CC1(C)NC(=O)N(CCN2CCN(Cc3ccco3)CC2)C1=O ZINC000045736350 395765590 /nfs/dbraw/zinc/76/55/90/395765590.db2.gz YADSHGKXDYSBHM-UHFFFAOYSA-N 0 0 320.393 0.728 50 0 DCAARN CC(C)N1c2ccccc2[C@H](NC(=O)C(=O)NC[C@H](C)O)C1=O ZINC000101664326 395766158 /nfs/dbraw/zinc/76/61/58/395766158.db2.gz DQUXKQSVUJUGDS-GWCFXTLKSA-N 0 0 319.361 0.096 50 0 DCAARN O=C(CN1CSCC1=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000045837442 395766928 /nfs/dbraw/zinc/76/69/28/395766928.db2.gz VGBHZIBBEMGEBR-UHFFFAOYSA-N 0 0 321.280 0.865 50 0 DCAARN O=C(CNS(=O)(=O)c1cccs1)NC[C@@H]1CCCO1 ZINC000046412543 395776484 /nfs/dbraw/zinc/77/64/84/395776484.db2.gz NAONAKPIEMLDEJ-VIFPVBQESA-N 0 0 304.393 0.322 50 0 DCAARN Cc1nc2c([nH]1)CC[C@@H](C(=O)NCCCN1CCOCC1)C2 ZINC000225516607 395861403 /nfs/dbraw/zinc/86/14/03/395861403.db2.gz ROJNWNDJQTUPNM-CYBMUJFWSA-N 0 0 306.410 0.662 50 0 DCAARN C[C@H](Cn1ccnc1)NC(=O)c1cccnc1N1CCOCC1 ZINC000048129116 395808389 /nfs/dbraw/zinc/80/83/89/395808389.db2.gz TVHLUWRRQLWFKB-CYBMUJFWSA-N 0 0 315.377 0.933 50 0 DCAARN O=C(NC[C@H](O)c1ccccc1F)N[C@@H]1CCS(=O)(=O)C1 ZINC000048303144 395813326 /nfs/dbraw/zinc/81/33/26/395813326.db2.gz QEXLETAVQKQXKC-SKDRFNHKSA-N 0 0 316.354 0.345 50 0 DCAARN Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)nn1 ZINC000225421440 395860001 /nfs/dbraw/zinc/86/00/01/395860001.db2.gz PBSRDXZCHFKWNN-JTQLQIEISA-N 0 0 301.306 0.162 50 0 DCAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000050857506 395842495 /nfs/dbraw/zinc/84/24/95/395842495.db2.gz OCLFHDCTUJZNOE-GFCCVEGCSA-N 0 0 315.329 0.976 50 0 DCAARN COc1ccc([C@H](CC(N)=O)c2c(C)[nH][nH]c2=O)cc1CO ZINC000218392837 395843268 /nfs/dbraw/zinc/84/32/68/395843268.db2.gz ZYPLRACTUZAMCU-NSHDSACASA-N 0 0 305.334 0.520 50 0 DCAARN C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc2ccccc2n1 ZINC000218915541 395843413 /nfs/dbraw/zinc/84/34/13/395843413.db2.gz PKLZMHPPIBLLIV-SNVBAGLBSA-N 0 0 307.375 0.789 50 0 DCAARN CC(=O)NCC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 ZINC000218986555 395844025 /nfs/dbraw/zinc/84/40/25/395844025.db2.gz KQZQGDGPQQMCBU-ZIAGYGMSSA-N 0 0 307.350 0.008 50 0 DCAARN COc1ccc(NC(=O)NCCCN2CCNC(=O)C2)cc1 ZINC000271179307 395844353 /nfs/dbraw/zinc/84/43/53/395844353.db2.gz YOKFBRPNQJYOBB-UHFFFAOYSA-N 0 0 306.366 0.639 50 0 DCAARN O=C(CN1CCOC1=O)N1CCC([C@@H](O)c2ccccn2)CC1 ZINC000219475670 395845344 /nfs/dbraw/zinc/84/53/44/395845344.db2.gz VANJMDMEMSCZNI-OAHLLOKOSA-N 0 0 319.361 0.806 50 0 DCAARN CCO[C@H]1CN(C(=O)CSc2nnc(CC)[nH]2)C[C@@H]1O ZINC000219414810 395845562 /nfs/dbraw/zinc/84/55/62/395845562.db2.gz AQHMKFCSFSCFGE-IUCAKERBSA-N 0 0 300.384 0.067 50 0 DCAARN CSCC[C@H](NC(C)=O)C(=O)NCc1nnc2ccccn21 ZINC000219942821 395847084 /nfs/dbraw/zinc/84/70/84/395847084.db2.gz ZJQCJIHIXBNMPS-NSHDSACASA-N 0 0 321.406 0.603 50 0 DCAARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCN1CCOCC1)C2 ZINC000220244845 395847959 /nfs/dbraw/zinc/84/79/59/395847959.db2.gz GDSLNBIQCBCZSO-ZDUSSCGKSA-N 0 0 322.409 0.391 50 0 DCAARN Cc1cccnc1N1CCN(C(=O)CN2CCOC2=O)CC1 ZINC000220491533 395848985 /nfs/dbraw/zinc/84/89/85/395848985.db2.gz LYLQTZCHNHBLNV-UHFFFAOYSA-N 0 0 304.350 0.491 50 0 DCAARN CCO[C@H]1CN(c2cncc(C(=O)N3CCCCC3)n2)C[C@@H]1O ZINC000220601271 395849680 /nfs/dbraw/zinc/84/96/80/395849680.db2.gz BRWSNYUKVOBQRI-KBPBESRZSA-N 0 0 320.393 0.689 50 0 DCAARN C[C@H](Cn1cncn1)C(=O)NCc1nnnn1-c1ccccc1 ZINC000221220489 395850603 /nfs/dbraw/zinc/85/06/03/395850603.db2.gz OHURVFVWGGOFRK-LLVKDONJSA-N 0 0 312.337 0.206 50 0 DCAARN Cc1nc(C=CC(=O)N2CCC3(CC2)NC(=O)NC3=O)cs1 ZINC000222064495 395851364 /nfs/dbraw/zinc/85/13/64/395851364.db2.gz YXTXBRHOLOFRDN-IHWYPQMZSA-N 0 0 320.374 0.665 50 0 DCAARN Cc1nonc1CC(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000222474453 395852709 /nfs/dbraw/zinc/85/27/09/395852709.db2.gz PTCHILYVVQZWML-JRPNMDOOSA-N 0 0 302.334 0.944 50 0 DCAARN Cc1nonc1CC(=O)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000222912698 395853445 /nfs/dbraw/zinc/85/34/45/395853445.db2.gz QDRHOIJYIOEKED-UXIGCNINSA-N 0 0 316.361 0.814 50 0 DCAARN Nc1nnc(CCCNC(=O)c2ccc3n[nH]nc3c2)s1 ZINC000223656771 395856042 /nfs/dbraw/zinc/85/60/42/395856042.db2.gz OFFPMENUGZCVEY-UHFFFAOYSA-N 0 0 303.351 0.754 50 0 DCAARN Cc1cn(CC(=O)NCc2cncn2CC(C)C)c(=O)[nH]c1=O ZINC000223668573 395856078 /nfs/dbraw/zinc/85/60/78/395856078.db2.gz ARAQUJBTJLKBTA-UHFFFAOYSA-N 0 0 319.365 0.014 50 0 DCAARN O=C(CN1CCOC1=O)NCCCn1ncc2ccccc21 ZINC000223765212 395856763 /nfs/dbraw/zinc/85/67/63/395856763.db2.gz OBYYLCZFXCIGLH-UHFFFAOYSA-N 0 0 302.334 0.995 50 0 DCAARN CC(C)C(=O)NCCNC(=O)Nc1cc(C(N)=O)ccc1F ZINC000047874495 395802247 /nfs/dbraw/zinc/80/22/47/395802247.db2.gz XJDIKUQJPMCMTO-UHFFFAOYSA-N 0 0 310.329 0.818 50 0 DCAARN CCOC(=O)NCCC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000054016639 395891868 /nfs/dbraw/zinc/89/18/68/395891868.db2.gz UQSMKUOVHWCCNA-LBPRGKRZSA-N 0 0 321.381 0.698 50 0 DCAARN COCCN1CCN(CC(=O)N(C)Cc2cccs2)CC1 ZINC000054187834 395895445 /nfs/dbraw/zinc/89/54/45/395895445.db2.gz IFNVSWUAOQOVIC-UHFFFAOYSA-N 0 0 311.451 0.971 50 0 DCAARN O=C(c1cc(C2CC2)n[nH]1)N1CCC(N2CCNC2=O)CC1 ZINC000054317965 395897605 /nfs/dbraw/zinc/89/76/05/395897605.db2.gz BLGMQNLVUVXXKN-UHFFFAOYSA-N 0 0 303.366 0.917 50 0 DCAARN CCOC(=O)[C@H]1CCCN(Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000054417623 395899571 /nfs/dbraw/zinc/89/95/71/395899571.db2.gz SVHZBZRAFGGLTQ-JTQLQIEISA-N 0 0 319.365 0.432 50 0 DCAARN NC(=O)C1(CNS(=O)(=O)c2cccs2)CCOCC1 ZINC000055246092 395914898 /nfs/dbraw/zinc/91/48/98/395914898.db2.gz ILHXRWLSEFAQQV-UHFFFAOYSA-N 0 0 304.393 0.309 50 0 DCAARN CN(CC(=O)NCCN1CCCOC1=O)Cc1ccncc1 ZINC000244811546 395925394 /nfs/dbraw/zinc/92/53/94/395925394.db2.gz SGOWNSXVZUWMMQ-UHFFFAOYSA-N 0 0 306.366 0.472 50 0 DCAARN O=S1(=O)CCC(CNc2cc([C@H]3C[C@@H](O)C3)ncn2)CC1 ZINC000244884035 395926193 /nfs/dbraw/zinc/92/61/93/395926193.db2.gz YDXKNSMOULFBFO-TXEJJXNPSA-N 0 0 311.407 0.952 50 0 DCAARN OC[C@@H]1O[C@H](Nc2cccc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O ZINC000245377326 395927213 /nfs/dbraw/zinc/92/72/13/395927213.db2.gz JRKZPBBOEFJXRA-NPJQDHAYSA-N 0 0 305.330 0.052 50 0 DCAARN COCC1(CNC(=O)NCC2CCS(=O)(=O)CC2)CCC1 ZINC000225698050 395862212 /nfs/dbraw/zinc/86/22/12/395862212.db2.gz FYKVQYVWLVWBCA-UHFFFAOYSA-N 0 0 318.439 0.927 50 0 DCAARN CN(C)c1cccc(C(=O)N2CC[C@@H](N3C(=O)COC3=O)C2)c1 ZINC000225699308 395862567 /nfs/dbraw/zinc/86/25/67/395862567.db2.gz GLJXPWCWOPEDBZ-CYBMUJFWSA-N 0 0 317.345 0.946 50 0 DCAARN O=C(NCC1CC1)[C@H]1CCCN(c2ccc3nnnn3n2)C1 ZINC000052360014 395862870 /nfs/dbraw/zinc/86/28/70/395862870.db2.gz JNQGOHWCVVMIJM-NSHDSACASA-N 0 0 301.354 0.262 50 0 DCAARN CCN(CC)C(=O)[C@@H]1CCCN(Cn2[n-]c(=O)ccc2=O)C1 ZINC000226758804 395867207 /nfs/dbraw/zinc/86/72/07/395867207.db2.gz JDCMCZPLYJGDKS-GFCCVEGCSA-N 0 0 308.382 0.487 50 0 DCAARN CNC(=O)CCNC(=O)[C@@]1(C)CC(c2ccc(F)cc2)=NO1 ZINC000226747210 395867345 /nfs/dbraw/zinc/86/73/45/395867345.db2.gz WNPOMSKMMSUYDN-OAHLLOKOSA-N 0 0 307.325 0.961 50 0 DCAARN COCCNC(=O)Cn1cc(COc2ccc(OC)cc2)nn1 ZINC000227162910 395867658 /nfs/dbraw/zinc/86/76/58/395867658.db2.gz WAXKWNOZWSZKDI-UHFFFAOYSA-N 0 0 320.349 0.628 50 0 DCAARN CCC[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000119261396 395868955 /nfs/dbraw/zinc/86/89/55/395868955.db2.gz PEQBLSMRTRXSLL-NSHDSACASA-N 0 0 300.380 0.486 50 0 DCAARN O[C@H](CN1CCO[C@@H](Cn2cncn2)C1)c1ccc(F)cc1 ZINC000229498692 395874574 /nfs/dbraw/zinc/87/45/74/395874574.db2.gz UNETVDKQPLZTRC-HUUCEWRRSA-N 0 0 306.341 0.852 50 0 DCAARN Cc1cc(NC(=O)CN2CCC(N3CCNC3=O)CC2)on1 ZINC000053283578 395879822 /nfs/dbraw/zinc/87/98/22/395879822.db2.gz JYNWWVIXZVWKDA-UHFFFAOYSA-N 0 0 307.354 0.411 50 0 DCAARN O=C(c1cnc2n(c1=O)CCS2)N1CCO[C@@H]2CCC[C@@H]21 ZINC000053379148 395881548 /nfs/dbraw/zinc/88/15/48/395881548.db2.gz GFLLEJBRMYQXGE-WDEREUQCSA-N 0 0 307.375 0.743 50 0 DCAARN CCOc1ccc(C(=O)N2CCCN(CC(=O)NC)CC2)cn1 ZINC000058341234 395953325 /nfs/dbraw/zinc/95/33/25/395953325.db2.gz YHRVDODTCWHFPL-UHFFFAOYSA-N 0 0 320.393 0.374 50 0 DCAARN OC[C@@H]1O[C@H](Nc2ccc(Br)cc2)[C@@H](O)[C@H]1O ZINC000247895111 395979459 /nfs/dbraw/zinc/97/94/59/395979459.db2.gz ZRQCFZMEABNUFB-NAKRPEOUSA-N 0 0 304.140 0.300 50 0 DCAARN CN1C[C@@H](C(=O)N2CCN(C)C[C@H]2c2ccccc2)CC1=O ZINC000249039330 396001666 /nfs/dbraw/zinc/00/16/66/396001666.db2.gz AVDISBZDQFBSTB-GJZGRUSLSA-N 0 0 301.390 0.980 50 0 DCAARN COCCC1CCN(C(=O)CN(C)C(=O)c2cnccn2)CC1 ZINC000065181311 395991214 /nfs/dbraw/zinc/99/12/14/395991214.db2.gz BCIUXJKETWSRRN-UHFFFAOYSA-N 0 0 320.393 0.824 50 0 DCAARN CC(C)C(=O)N[C@@H]1CCCN(C[C@H]2CCS(=O)(=O)C2)C1 ZINC000252537112 396022273 /nfs/dbraw/zinc/02/22/73/396022273.db2.gz KIHLXILUPKFJIB-CHWSQXEVSA-N 0 0 302.440 0.658 50 0 DCAARN CS(=O)(=O)CCN1C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C1=O ZINC000252514998 396022327 /nfs/dbraw/zinc/02/23/27/396022327.db2.gz FSBOEHYQQQZCLZ-AXFHLTTASA-N 0 0 300.380 0.626 50 0 DCAARN C[C@@H]1C[C@H](OC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C(=O)O1 ZINC000252512957 396022638 /nfs/dbraw/zinc/02/26/38/396022638.db2.gz WWAUVLAYXACZBH-KKOKHZNYSA-N 0 0 323.345 0.799 50 0 DCAARN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(CCOC3)C2)cc1 ZINC000153351226 396024369 /nfs/dbraw/zinc/02/43/69/396024369.db2.gz FCWZTTDZILJCJC-OAHLLOKOSA-N 0 0 324.402 0.847 50 0 DCAARN CCS(=O)(=O)N1CC(F)(F)C[C@H]1c1nc(COC)no1 ZINC000253410085 396026804 /nfs/dbraw/zinc/02/68/04/396026804.db2.gz MVJVPJONGTYWSM-ZETCQYMHSA-N 0 0 311.310 0.948 50 0 DCAARN Cc1cc(C(=O)N2C[C@@H](CO)[C@H](c3ccccn3)C2)nn1C ZINC000253412094 396026980 /nfs/dbraw/zinc/02/69/80/396026980.db2.gz PVNAAAZNPSOVBQ-QWHCGFSZSA-N 0 0 300.362 0.972 50 0 DCAARN O=C(NCc1cccc2c1OCO2)N1CCS(=O)(=O)CC1 ZINC000253415805 396027880 /nfs/dbraw/zinc/02/78/80/396027880.db2.gz ZZUZYMCUKFRIBZ-UHFFFAOYSA-N 0 0 312.347 0.355 50 0 DCAARN CN(CCc1cn[nH]c1)c1cc(N2CCOCC2)nc(N)n1 ZINC000067587690 396028514 /nfs/dbraw/zinc/02/85/14/396028514.db2.gz QPSITMUDIZMHBD-UHFFFAOYSA-N 0 0 303.370 0.297 50 0 DCAARN CCc1nc(CN2CCC([C@H](O)C(=O)NC3CC3)CC2)no1 ZINC000253429269 396028797 /nfs/dbraw/zinc/02/87/97/396028797.db2.gz CNUMSWIHQSORIU-AWEZNQCLSA-N 0 0 308.382 0.484 50 0 DCAARN CC(C)Cc1ncc2c(n1)CN(C(=O)c1ccc(=O)n(C)n1)C2 ZINC000067755079 396032703 /nfs/dbraw/zinc/03/27/03/396032703.db2.gz YNLJKKMNEHHETK-UHFFFAOYSA-N 0 0 313.361 0.925 50 0 DCAARN CC(C)N1CCNC(=O)[C@H]1CC(=O)Nc1cnc2n1CCCC2 ZINC000067771224 396033411 /nfs/dbraw/zinc/03/34/11/396033411.db2.gz IBXROHTZWKAFCD-GFCCVEGCSA-N 0 0 319.409 0.757 50 0 DCAARN O=C(C[N@@H+]1C[C@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2)N1CCCC1 ZINC000257196698 396035906 /nfs/dbraw/zinc/03/59/06/396035906.db2.gz YSFCKKZFAANANA-QLFBSQMISA-N 0 0 305.422 0.942 50 0 DCAARN Cn1cncc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000257196159 396036290 /nfs/dbraw/zinc/03/62/90/396036290.db2.gz XRTBVSNNJDRIDJ-LSDHHAIUSA-N 0 0 314.389 0.643 50 0 DCAARN CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)Cn1nc2ccccc2n1 ZINC000067883580 396038073 /nfs/dbraw/zinc/03/80/73/396038073.db2.gz RJPAPTKOSPYEEG-NEPJUHHUSA-N 0 0 313.361 0.653 50 0 DCAARN CCc1nc([C@H]2CCCN(C(=O)CN3CCCNC3=O)C2)no1 ZINC000067940442 396039532 /nfs/dbraw/zinc/03/95/32/396039532.db2.gz PFHSPVAGKSWKJM-NSHDSACASA-N 0 0 321.381 0.753 50 0 DCAARN CCc1ncc2c(n1)CN(C(=O)CN1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000067954608 396040277 /nfs/dbraw/zinc/04/02/77/396040277.db2.gz KQCIWUHYIJMQLJ-TXEJJXNPSA-N 0 0 304.394 0.990 50 0 DCAARN CNC(=O)[C@@H](C)NC(=O)c1cc(COc2cccc(F)c2)n[nH]1 ZINC000067966583 396040317 /nfs/dbraw/zinc/04/03/17/396040317.db2.gz XRLFAJKTMNZQRD-SECBINFHSA-N 0 0 320.324 0.992 50 0 DCAARN Cn1nc([C@H]2CCCN(C(=O)CO)C2)n(-c2ccccc2)c1=O ZINC000067974147 396041466 /nfs/dbraw/zinc/04/14/66/396041466.db2.gz VFQSVIDGOMPJCA-LBPRGKRZSA-N 0 0 316.361 0.269 50 0 DCAARN CN(CCCS(=O)(=O)N(C)C)Cc1nc(C2CC2)no1 ZINC000252489404 396020717 /nfs/dbraw/zinc/02/07/17/396020717.db2.gz JQIKPDMBLKMQHJ-UHFFFAOYSA-N 0 0 302.400 0.660 50 0 DCAARN CN1CCN(C(=O)C[C@H]2NC(=O)N(c3ccccc3)C2=O)CC1 ZINC000252494366 396020894 /nfs/dbraw/zinc/02/08/94/396020894.db2.gz NTVCZQLEZBGHLS-CYBMUJFWSA-N 0 0 316.361 0.480 50 0 DCAARN Cc1ccc(CN(C)C(=O)CN2CCN(C[C@H](C)O)CC2)o1 ZINC000069656618 396085829 /nfs/dbraw/zinc/08/58/29/396085829.db2.gz DWHVYOVONJLVLL-ZDUSSCGKSA-N 0 0 309.410 0.545 50 0 DCAARN Cc1nc(CN2CCCN(CCCS(C)(=O)=O)CC2)no1 ZINC000069652963 396086087 /nfs/dbraw/zinc/08/60/87/396086087.db2.gz BCJUIPVJSCGNHB-UHFFFAOYSA-N 0 0 316.427 0.320 50 0 DCAARN CC(C)CN1CCO[C@H](CNS(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000069700476 396087203 /nfs/dbraw/zinc/08/72/03/396087203.db2.gz OCRJMGAGSXRBDS-ZIAGYGMSSA-N 0 0 320.455 0.299 50 0 DCAARN CCOC[C@@H](O)CN1CCN(C(=O)c2ccccc2OC)CC1 ZINC000069739938 396088830 /nfs/dbraw/zinc/08/88/30/396088830.db2.gz JWPSKYUVWXRBII-AWEZNQCLSA-N 0 0 322.405 0.850 50 0 DCAARN CN(C)C(=O)c1cnc(N2CCN(CCO)CC2)c(Cl)c1 ZINC000069780189 396090088 /nfs/dbraw/zinc/09/00/88/396090088.db2.gz YDMQYCDEABADJX-UHFFFAOYSA-N 0 0 312.801 0.551 50 0 DCAARN COCCC(=O)N1CCc2nc(N3CCN(C)CC3)sc2C1 ZINC000169749259 396091153 /nfs/dbraw/zinc/09/11/53/396091153.db2.gz XFDVKTYARXABSF-UHFFFAOYSA-N 0 0 324.450 0.816 50 0 DCAARN Cc1n[nH]c(C)c1CNC(=O)[C@@H]1CCN(c2cn[nH]c(=O)c2)C1 ZINC000169785440 396092628 /nfs/dbraw/zinc/09/26/28/396092628.db2.gz CZGUTKUOILTCHC-LLVKDONJSA-N 0 0 316.365 0.253 50 0 DCAARN COC(=O)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000069873934 396093080 /nfs/dbraw/zinc/09/30/80/396093080.db2.gz QTNKZPXTGCKHPP-GXSJLCMTSA-N 0 0 314.407 0.756 50 0 DCAARN O=C(CN1CCOCC1)N[C@@H]1CCc2nnc(C3CC3)n2CC1 ZINC000169790270 396093649 /nfs/dbraw/zinc/09/36/49/396093649.db2.gz RZYNPBKMPXACOW-CYBMUJFWSA-N 0 0 319.409 0.309 50 0 DCAARN COc1ccnc(N2CCN(c3nccc(OC)n3)[C@@H](C)C2)n1 ZINC000069902591 396094383 /nfs/dbraw/zinc/09/43/83/396094383.db2.gz ICGOAIZYCHCOII-NSHDSACASA-N 0 0 316.365 0.999 50 0 DCAARN CS(=O)(=O)CCN1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000069902593 396094624 /nfs/dbraw/zinc/09/46/24/396094624.db2.gz MQADAJPRCUIWHL-BQYQJAHWSA-N 0 0 322.430 0.889 50 0 DCAARN Cn1ccc(CN2CCC(N3CCS(=O)(=O)CC3)CC2)c1 ZINC000170608703 396095061 /nfs/dbraw/zinc/09/50/61/396095061.db2.gz NSKPBENNLCOAAT-UHFFFAOYSA-N 0 0 311.451 0.720 50 0 DCAARN CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCOCC2)=NO1 ZINC000170607840 396095303 /nfs/dbraw/zinc/09/53/03/396095303.db2.gz GWUPRDGKDULFRW-SNVBAGLBSA-N 0 0 313.354 0.515 50 0 DCAARN COCCN(CCOC)S(=O)(=O)NCC[Si](C)(C)C ZINC000170619721 396095943 /nfs/dbraw/zinc/09/59/43/396095943.db2.gz CCICECIGRTXJDU-UHFFFAOYSA-N 0 0 312.508 0.754 50 0 DCAARN Cc1cn2nc(N3CCO[C@@H](Cn4cncn4)C3)sc2n1 ZINC000069949299 396095981 /nfs/dbraw/zinc/09/59/81/396095981.db2.gz XNVYFYBQWMGRHR-SNVBAGLBSA-N 0 0 305.367 0.596 50 0 DCAARN Cc1cnc(N2CC[C@@](O)(C(N)=O)C2)c(Br)c1 ZINC000170619331 396096428 /nfs/dbraw/zinc/09/64/28/396096428.db2.gz VRVCRPRHQSJWBR-NSHDSACASA-N 0 0 300.156 0.579 50 0 DCAARN c1ncn(C[C@H]2CN(Cc3cccc4c3OCCO4)CCO2)n1 ZINC000070006346 396096829 /nfs/dbraw/zinc/09/68/29/396096829.db2.gz SGAPFOUWZBNXTO-CQSZACIVSA-N 0 0 316.361 0.950 50 0 DCAARN COCCN1CCN(CC(=O)N(C)Cc2ccco2)C[C@@H]1C ZINC000070006266 396096867 /nfs/dbraw/zinc/09/68/67/396096867.db2.gz WBNFCZLGIZDWJJ-AWEZNQCLSA-N 0 0 309.410 0.891 50 0 DCAARN Cc1cnn([C@@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)c1 ZINC000071185766 396111183 /nfs/dbraw/zinc/11/11/83/396111183.db2.gz IZLVMLUUVGFZRT-GFCCVEGCSA-N 0 0 303.366 0.963 50 0 DCAARN O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nncs1 ZINC000071284307 396111725 /nfs/dbraw/zinc/11/17/25/396111725.db2.gz NBUOCQXPWFRLOW-UHFFFAOYSA-N 0 0 303.303 0.994 50 0 DCAARN O=C([O-])[C@@H]1CN(C(=O)CCc2c[nH]c3ccccc23)CC[NH2+]1 ZINC000071779807 396115089 /nfs/dbraw/zinc/11/50/89/396115089.db2.gz IWJCMOLMBOXZFK-AWEZNQCLSA-N 0 0 301.346 0.986 50 0 DCAARN Cc1cnn(CCC(=O)N2CCC(N3CCNC3=O)CC2)c1 ZINC000071819987 396115997 /nfs/dbraw/zinc/11/59/97/396115997.db2.gz SBHBJWSQRFHKBL-UHFFFAOYSA-N 0 0 305.382 0.598 50 0 DCAARN CCc1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(C(C)C)C1)C2 ZINC000071864844 396119264 /nfs/dbraw/zinc/11/92/64/396119264.db2.gz JNUCILURMYWJIE-LLVKDONJSA-N 0 0 305.382 0.440 50 0 DCAARN Cc1cnn(C[C@H]2CCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)c1 ZINC000071866862 396119287 /nfs/dbraw/zinc/11/92/87/396119287.db2.gz BWUPKFSIMPKOBS-ZIAGYGMSSA-N 0 0 319.409 0.973 50 0 DCAARN CCc1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(C(C)C)C1)C2 ZINC000071864846 396119759 /nfs/dbraw/zinc/11/97/59/396119759.db2.gz JNUCILURMYWJIE-NSHDSACASA-N 0 0 305.382 0.440 50 0 DCAARN Cc1nnc2ccc(N3CCN([C@@H]4C[C@H](C)OC4=O)CC3)nn12 ZINC000071863787 396119878 /nfs/dbraw/zinc/11/98/78/396119878.db2.gz OLEQIGRMHQVMRX-CMPLNLGQSA-N 0 0 316.365 0.259 50 0 DCAARN O=C(CN1CCn2c(nnc2C2CC2)C1)NCc1ccco1 ZINC000071880312 396122224 /nfs/dbraw/zinc/12/22/24/396122224.db2.gz KQUQATBOQLKCRI-UHFFFAOYSA-N 0 0 301.350 0.881 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1 ZINC000071881769 396122455 /nfs/dbraw/zinc/12/24/55/396122455.db2.gz VYJHEEPOWIRGTH-ILXRZTDVSA-N 0 0 314.426 0.486 50 0 DCAARN O=C(COC(=O)[C@@H]1C[C@H]1c1ccccc1F)N1CCNC(=O)C1 ZINC000071881750 396123031 /nfs/dbraw/zinc/12/30/31/396123031.db2.gz JKSVVUXSAVAPIM-NWDGAFQWSA-N 0 0 320.320 0.431 50 0 DCAARN Cc1cc(NC(=O)CN2CCn3c(nnc3C3CC3)C2)n(C)n1 ZINC000071880242 396123043 /nfs/dbraw/zinc/12/30/43/396123043.db2.gz NVTOPXAKOXVGRY-UHFFFAOYSA-N 0 0 315.381 0.652 50 0 DCAARN COC(=O)c1cccc(OS(=O)(=O)c2c[nH]ccc2=O)c1 ZINC000071921870 396125612 /nfs/dbraw/zinc/12/56/12/396125612.db2.gz ARBMEMOPAMHGOD-UHFFFAOYSA-N 0 0 309.299 0.929 50 0 DCAARN CS(=O)(=O)CCNC(=O)NCCOc1ccc(F)cc1F ZINC000072270218 396129160 /nfs/dbraw/zinc/12/91/60/396129160.db2.gz UDNFVESERNLQEO-UHFFFAOYSA-N 0 0 322.333 0.687 50 0 DCAARN O=C(N1CC[C@@]2(C1)NC(=O)NC2=O)C1(c2ccccc2F)CC1 ZINC000072290672 396129636 /nfs/dbraw/zinc/12/96/36/396129636.db2.gz ANCWTYODGUYNKC-INIZCTEOSA-N 0 0 317.320 0.668 50 0 DCAARN NC(=O)NCCNC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1 ZINC000072288409 396129672 /nfs/dbraw/zinc/12/96/72/396129672.db2.gz VHJDSHPQBNTTLL-ZETCQYMHSA-N 0 0 316.770 0.679 50 0 DCAARN O=C(NCCN1CCOCC1)c1cccc(-c2ncon2)c1 ZINC000072293085 396129706 /nfs/dbraw/zinc/12/97/06/396129706.db2.gz MJRFDDRRJAJGAJ-UHFFFAOYSA-N 0 0 302.334 0.799 50 0 DCAARN C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCCn2ccnc2)CC1 ZINC000072297613 396130686 /nfs/dbraw/zinc/13/06/86/396130686.db2.gz JMBMPNDOLWELNT-KGLIPLIRSA-N 0 0 304.394 0.990 50 0 DCAARN C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCCn2ccnc2)CC1 ZINC000072297614 396130708 /nfs/dbraw/zinc/13/07/08/396130708.db2.gz JMBMPNDOLWELNT-KBPBESRZSA-N 0 0 304.394 0.990 50 0 DCAARN COc1ccc(CC(=O)N2CC(n3cncn3)C2)c(OC)c1 ZINC000069324692 396074796 /nfs/dbraw/zinc/07/47/96/396074796.db2.gz IOWNFKNOSSYRBK-UHFFFAOYSA-N 0 0 302.334 0.921 50 0 DCAARN Cc1cc(C)n(C[C@@H]2CN(CCS(C)(=O)=O)CCO2)n1 ZINC000069370315 396075851 /nfs/dbraw/zinc/07/58/51/396075851.db2.gz XVUABYKIBMKNLD-ZDUSSCGKSA-N 0 0 301.412 0.245 50 0 DCAARN O=C(CN1CCC(N2CCNC2=O)CC1)NCc1ccccc1 ZINC000069348442 396076051 /nfs/dbraw/zinc/07/60/51/396076051.db2.gz YMVXHOPSTKYTNO-UHFFFAOYSA-N 0 0 316.405 0.792 50 0 DCAARN Cc1cc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)n(C)n1 ZINC000069391350 396077190 /nfs/dbraw/zinc/07/71/90/396077190.db2.gz SZCFFHOSFSEOEH-ZDUSSCGKSA-N 0 0 318.381 0.265 50 0 DCAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cn1cnnn1 ZINC000069421008 396078173 /nfs/dbraw/zinc/07/81/73/396078173.db2.gz SKIMLAAFIDAIEF-SNVBAGLBSA-N 0 0 323.378 0.296 50 0 DCAARN Cc1cnn(C[C@H]2CN(Cc3nnnn3C3CC3)CCO2)c1 ZINC000069445517 396078863 /nfs/dbraw/zinc/07/88/63/396078863.db2.gz POJFLAJQZGZQMN-CYBMUJFWSA-N 0 0 303.370 0.414 50 0 DCAARN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCO[C@H](Cn2cccn2)C1 ZINC000069454651 396078944 /nfs/dbraw/zinc/07/89/44/396078944.db2.gz OABFTOLERHWVQJ-KFWWJZLASA-N 0 0 322.409 0.268 50 0 DCAARN CCN1CCN(C2CCN(CC(=O)N3CCOCC3)CC2)C1=O ZINC000069491589 396080501 /nfs/dbraw/zinc/08/05/01/396080501.db2.gz CFUKZMMEXQIXKM-UHFFFAOYSA-N 0 0 324.425 0.067 50 0 DCAARN Cc1ncc2c(n1)CN(C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000069492723 396080614 /nfs/dbraw/zinc/08/06/14/396080614.db2.gz MMOWEBQMCXWBDY-DVOMOZLQSA-N 0 0 320.437 0.613 50 0 DCAARN CN(C(=O)CN1CCN([C@H]2CCOC2=O)CC1)C1CCCCC1 ZINC000069560666 396083043 /nfs/dbraw/zinc/08/30/43/396083043.db2.gz BGZQFIFBHIKKDO-HNNXBMFYSA-N 0 0 323.437 0.711 50 0 DCAARN COc1ncccc1CN1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000176454483 396155689 /nfs/dbraw/zinc/15/56/89/396155689.db2.gz SFHNYWLFDZINMC-ZDUSSCGKSA-N 0 0 318.421 0.875 50 0 DCAARN O=C([C@H]1COc2ccccc2O1)N1CC(=O)N(CC2CC2)C1 ZINC000279432821 396175199 /nfs/dbraw/zinc/17/51/99/396175199.db2.gz LAFRWQRNIZCDCL-CQSZACIVSA-N 0 0 302.330 0.865 50 0 DCAARN CC(C)(C)C(=O)NCCC(=O)O[C@H]1CCCS(=O)(=O)C1 ZINC000075106565 396176067 /nfs/dbraw/zinc/17/60/67/396176067.db2.gz YRMBSWUJVZADEZ-JTQLQIEISA-N 0 0 305.396 0.659 50 0 DCAARN COc1ccccc1N1N=C2C(=C(NC(C)=O)NN2C(C)=O)N1 ZINC000075253805 396178545 /nfs/dbraw/zinc/17/85/45/396178545.db2.gz BJHVJSUCWAYSHC-UHFFFAOYSA-N 0 0 316.321 0.005 50 0 DCAARN COC(=O)[C@H](CO)Nc1cc(-c2ccccc2)nc2ncnn21 ZINC000075606857 396183520 /nfs/dbraw/zinc/18/35/20/396183520.db2.gz MYQUXCHSFSTNAZ-LBPRGKRZSA-N 0 0 313.317 0.737 50 0 DCAARN NC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCS(=O)(=O)C1CCCC1 ZINC000076042303 396191782 /nfs/dbraw/zinc/19/17/82/396191782.db2.gz QCEHHIJMKSNHTM-NEPJUHHUSA-N 0 0 316.423 0.504 50 0 DCAARN CCc1ncncc1C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000076045139 396192714 /nfs/dbraw/zinc/19/27/14/396192714.db2.gz BVYORTFFYAJDHP-LBPRGKRZSA-N 0 0 302.338 0.679 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)N2CCO[C@H](c3nnc(C)[nH]3)C2)on1 ZINC000076042592 396193245 /nfs/dbraw/zinc/19/32/45/396193245.db2.gz PYFMZJXHUPFYDP-ONGXEEELSA-N 0 0 320.353 0.810 50 0 DCAARN CCN1N=C(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)CCC1=O ZINC000076052003 396194567 /nfs/dbraw/zinc/19/45/67/396194567.db2.gz DZOQGKGAKOPFEK-OCCSQVGLSA-N 0 0 322.409 0.164 50 0 DCAARN CCN1N=C(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)CCC1=O ZINC000076051994 396194659 /nfs/dbraw/zinc/19/46/59/396194659.db2.gz DZOQGKGAKOPFEK-TZMCWYRMSA-N 0 0 322.409 0.164 50 0 DCAARN O=C1CC[C@@H](NS(=O)(=O)N2CCC[C@@H]2c2ccco2)CN1 ZINC000078880922 396256098 /nfs/dbraw/zinc/25/60/98/396256098.db2.gz XFSZJCBZJIQNNC-GHMZBOCLSA-N 0 0 313.379 0.530 50 0 DCAARN CC(C)c1nnc([C@H]2CN(C(=O)c3cnccn3)CCO2)[nH]1 ZINC000078889348 396256176 /nfs/dbraw/zinc/25/61/76/396256176.db2.gz HCJKDNYHUGNFTH-LLVKDONJSA-N 0 0 302.338 0.932 50 0 DCAARN CC(C)NC(=O)CCN1CCO[C@@H](CNc2cccnn2)C1 ZINC000078893395 396257164 /nfs/dbraw/zinc/25/71/64/396257164.db2.gz MLPCFAKANLZLIF-ZDUSSCGKSA-N 0 0 307.398 0.504 50 0 DCAARN CC(=O)c1cccc(NC(=O)N2CCN([C@@H](C)C(N)=O)CC2)c1 ZINC000079064458 396261034 /nfs/dbraw/zinc/26/10/34/396261034.db2.gz KIBCDTATMUQMQJ-NSHDSACASA-N 0 0 318.377 0.913 50 0 DCAARN C[C@@H]1C[C@@H](C)CN(C(=O)CN(C)C2CCS(=O)(=O)CC2)C1 ZINC000079470059 396265000 /nfs/dbraw/zinc/26/50/00/396265000.db2.gz KJNSYVNGJSSWOS-CHWSQXEVSA-N 0 0 316.467 1.000 50 0 DCAARN O=C(Cn1nc2c(cc1=O)CCCC2)NCCc1ccncc1 ZINC000079501984 396265847 /nfs/dbraw/zinc/26/58/47/396265847.db2.gz VYGXKOMKGOCRAK-UHFFFAOYSA-N 0 0 312.373 0.876 50 0 DCAARN Cc1ncccc1C[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000178906755 396213969 /nfs/dbraw/zinc/21/39/69/396213969.db2.gz VFTYCZORVSCEDR-INIZCTEOSA-N 0 0 318.421 0.413 50 0 DCAARN O=C(c1c[nH]c(=O)cn1)N1CCC(OCc2cccnc2)CC1 ZINC000077340743 396219476 /nfs/dbraw/zinc/21/94/76/396219476.db2.gz NORZSPYVLSTFBS-UHFFFAOYSA-N 0 0 314.345 0.986 50 0 DCAARN Cn1cccc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 ZINC000077407930 396220969 /nfs/dbraw/zinc/22/09/69/396220969.db2.gz MNOPNSIGRLURGQ-KRWDZBQOSA-N 0 0 319.405 0.862 50 0 DCAARN CCn1ccnc1[C@@H]1CCCCN1CCN1C(=O)CNC1=O ZINC000280939443 396230474 /nfs/dbraw/zinc/23/04/74/396230474.db2.gz HSGBSIDZJLHIJS-LBPRGKRZSA-N 0 0 305.382 0.982 50 0 DCAARN Cc1ccc(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C ZINC000080923352 396289267 /nfs/dbraw/zinc/28/92/67/396289267.db2.gz OLOYPBNFJLJDIK-INIZCTEOSA-N 0 0 318.377 0.784 50 0 DCAARN NC(=O)c1ccc(NC(=O)[C@H]2COCCN2CC2CCC2)cn1 ZINC000185859490 396335765 /nfs/dbraw/zinc/33/57/65/396335765.db2.gz YYMNGMNISHZFCL-CQSZACIVSA-N 0 0 318.377 0.620 50 0 DCAARN CC(C)C[C@H]1OCCC[C@H]1NC(=O)NCCS(C)(=O)=O ZINC000187701657 396372829 /nfs/dbraw/zinc/37/28/29/396372829.db2.gz IYYKJWWBRCIILJ-VXGBXAGGSA-N 0 0 306.428 0.924 50 0 DCAARN COC(=O)[C@H]1N[C@@H](c2ccccc2C)[C@H]2C(=O)N(C)C(=O)[C@@H]12 ZINC000526056023 396531739 /nfs/dbraw/zinc/53/17/39/396531739.db2.gz CGOWJTYBIFYYIV-RNJOBUHISA-N 0 0 302.330 0.412 50 0 DCAARN O=C(CCCc1cn[nH]c1)N1CCN(c2ncc[nH]c2=O)CC1 ZINC000584886968 396632270 /nfs/dbraw/zinc/63/22/70/396632270.db2.gz SKTMGXSHTXOPLK-UHFFFAOYSA-N 0 0 316.365 0.165 50 0 DCAARN O=C(C1CC1)N1CCC(Cn2cnc3nccnc3c2=O)CC1 ZINC000584888071 396633263 /nfs/dbraw/zinc/63/32/63/396633263.db2.gz PQRUNCLBGBSKEJ-UHFFFAOYSA-N 0 0 313.361 0.835 50 0 DCAARN Cc1cc(=O)[nH]c(CCNC(=O)[C@H]2CSC(C)(C)C(=O)N2)n1 ZINC000584895685 396634572 /nfs/dbraw/zinc/63/45/72/396634572.db2.gz HFVVBFNEXJGVKK-SECBINFHSA-N 0 0 324.406 0.160 50 0 DCAARN NC(=O)[C@@H]1CC=CC[C@H]1Nc1cncc(C(=O)N2CCCC2)n1 ZINC000584896080 396635008 /nfs/dbraw/zinc/63/50/08/396635008.db2.gz FBCGBYCTUBLHMP-VXGBXAGGSA-N 0 0 315.377 0.945 50 0 DCAARN Cc1nc(C)c(CC(=O)N[C@H]2CCc3c[nH]nc3C2)c(=O)[nH]1 ZINC000584894494 396635031 /nfs/dbraw/zinc/63/50/31/396635031.db2.gz WOCGBIZAGUQLOH-NSHDSACASA-N 0 0 301.350 0.738 50 0 DCAARN Cc1n[nH]c(C)c1CCCN(C)C(=O)CCNS(C)(=O)=O ZINC000584898393 396635811 /nfs/dbraw/zinc/63/58/11/396635811.db2.gz PPTMVABVZYGXKD-UHFFFAOYSA-N 0 0 316.427 0.357 50 0 DCAARN C[C@@H](C(=O)N1CCN(CC(=O)N2CCCC2)CC1)n1cccc1 ZINC000584897060 396635891 /nfs/dbraw/zinc/63/58/91/396635891.db2.gz JXQKKZJBUYGAAE-HNNXBMFYSA-N 0 0 318.421 0.816 50 0 DCAARN O=C(c1c[nH]c(=O)[nH]c1=O)N1CCN(CC(F)(F)F)CC1 ZINC000584899292 396636120 /nfs/dbraw/zinc/63/61/20/396636120.db2.gz 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/nfs/dbraw/zinc/17/16/58/415171658.db2.gz IPUYFUNCGLMOER-IUCAKERBSA-N 0 0 302.352 0.485 50 0 DCAARN CN1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000027938967 415171886 /nfs/dbraw/zinc/17/18/86/415171886.db2.gz MLJOFJLBTXZFOU-UHFFFAOYSA-N 0 0 301.188 0.810 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)n(C)c1 ZINC000027883794 415173867 /nfs/dbraw/zinc/17/38/67/415173867.db2.gz AAVPNTYKALHYSJ-JOYOIKCWSA-N 0 0 315.395 0.231 50 0 DCAARN CC(=O)N[C@H](C)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000036309770 415191915 /nfs/dbraw/zinc/19/19/15/415191915.db2.gz BOEVKAIPBACNRS-CYBMUJFWSA-N 0 0 311.426 0.662 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000031612081 415185928 /nfs/dbraw/zinc/18/59/28/415185928.db2.gz BBCQQEKHJFNFQL-PWSUYJOCSA-N 0 0 315.778 0.947 50 0 DCAARN O=C(NCCN1CCOCC1)c1cccc(N2CCNC2=O)c1 ZINC000040527868 415198294 /nfs/dbraw/zinc/19/82/94/415198294.db2.gz ISQNLJOXHFJYIZ-UHFFFAOYSA-N 0 0 318.377 0.278 50 0 DCAARN CC1CCN(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)CC1 ZINC000044324978 415219450 /nfs/dbraw/zinc/21/94/50/415219450.db2.gz IOUZOZGJTQVDLV-ZDUSSCGKSA-N 0 0 311.407 0.779 50 0 DCAARN C[C@@H]1COCCN1C(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC000044915032 415232842 /nfs/dbraw/zinc/23/28/42/415232842.db2.gz LHFRWNYGEBKJRW-LLVKDONJSA-N 0 0 312.391 0.514 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)c1cc2ccccc2[nH]c1=O ZINC000044940547 415234334 /nfs/dbraw/zinc/23/43/34/415234334.db2.gz QDTMFDZDUUEFQF-GFCCVEGCSA-N 0 0 315.373 0.979 50 0 DCAARN CCn1cnnc1CNC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000044942283 415236100 /nfs/dbraw/zinc/23/61/00/415236100.db2.gz LBOSYVNBLNCOMF-UHFFFAOYSA-N 0 0 301.306 0.559 50 0 DCAARN CC(C)N(CCCNC(=O)N1CCO[C@H](C)C1)S(C)(=O)=O ZINC000044971450 415238199 /nfs/dbraw/zinc/23/81/99/415238199.db2.gz QCBQKZNAVUNDCN-GFCCVEGCSA-N 0 0 321.443 0.477 50 0 DCAARN O=C(CN1CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1)NC1CC1 ZINC000045054187 415244141 /nfs/dbraw/zinc/24/41/41/415244141.db2.gz LHEGQZLTBKQIEM-UHFFFAOYSA-N 0 0 317.393 0.324 50 0 DCAARN Cc1cc(C(=O)NC2CCN(CC(N)=O)CC2)nn1C(C)(C)C 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0 DCAARN CS(=O)(=O)N1CCC[C@H](C(=O)NCCCn2cccn2)C1 ZINC000044911099 415232263 /nfs/dbraw/zinc/23/22/63/415232263.db2.gz KRKXQTQPOKPBFV-LBPRGKRZSA-N 0 0 314.411 0.061 50 0 DCAARN CCOc1ncccc1NC(=O)NC1CCN(CC(N)=O)CC1 ZINC000048207507 415286229 /nfs/dbraw/zinc/28/62/29/415286229.db2.gz DSQIIRWNSHDAMP-UHFFFAOYSA-N 0 0 321.381 0.552 50 0 DCAARN CCCCN1C(=O)C(=O)N(CC(=O)NCc2ccco2)C1=O ZINC000048278832 415286602 /nfs/dbraw/zinc/28/66/02/415286602.db2.gz GMINKSLDFVYNOV-UHFFFAOYSA-N 0 0 307.306 0.487 50 0 DCAARN C[C@H](C(=O)NC[C@H]1CCCO1)N1C(=O)NC2(CCCC2)C1=O ZINC000066313301 415356379 /nfs/dbraw/zinc/35/63/79/415356379.db2.gz MQUVZRZZLWGBGO-GHMZBOCLSA-N 0 0 309.366 0.535 50 0 DCAARN CC(C)c1nnc(NC(=O)CN2C(=O)NC(C)(C)C2=O)s1 ZINC000049590272 415309033 /nfs/dbraw/zinc/30/90/33/415309033.db2.gz WADUNTZGKFENSG-UHFFFAOYSA-N 0 0 311.367 0.930 50 0 DCAARN COc1nc(C)c(C(=O)N2CCN3CCN(C)C(=O)[C@H]3C2)s1 ZINC000065408322 415357454 /nfs/dbraw/zinc/35/74/54/415357454.db2.gz UNWKOSSYBHSUCG-SNVBAGLBSA-N 0 0 324.406 0.059 50 0 DCAARN CCOc1cc(C)nc(N2CCN(C(=O)c3cc[nH]n3)CC2)n1 ZINC000069848211 415399209 /nfs/dbraw/zinc/39/92/09/415399209.db2.gz VZVFARSGIRQXHQ-UHFFFAOYSA-N 0 0 316.365 0.869 50 0 DCAARN CC(C)Oc1ccc(C(=O)N2CCCN(CC(N)=O)CC2)cn1 ZINC000071829290 415409027 /nfs/dbraw/zinc/40/90/27/415409027.db2.gz JHRXBEHSTIIKKW-UHFFFAOYSA-N 0 0 320.393 0.502 50 0 DCAARN CCCCn1nnnc1CN1CCc2nn(C)c(=O)cc2C1 ZINC000072302422 415412876 /nfs/dbraw/zinc/41/28/76/415412876.db2.gz WSALIQWFERQAGU-UHFFFAOYSA-N 0 0 303.370 0.125 50 0 DCAARN O=C(c1cn(CCNc2ncccn2)nn1)N1CCSCC1 ZINC000067787239 415384727 /nfs/dbraw/zinc/38/47/27/415384727.db2.gz FGCJNXJHSYPZGZ-UHFFFAOYSA-N 0 0 319.394 0.369 50 0 DCAARN CCOC(=O)c1[nH]c(=O)[nH]c1CN1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000067679237 415387177 /nfs/dbraw/zinc/38/71/77/415387177.db2.gz VGNSWQOQGLEELQ-ZJUUUORDSA-N 0 0 322.365 0.075 50 0 DCAARN CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2Cc3ccccc3O2)C1=O ZINC000278867151 415499676 /nfs/dbraw/zinc/49/96/76/415499676.db2.gz UYFYOKONNZYHEV-XHDPSFHLSA-N 0 0 303.318 0.742 50 0 DCAARN C[C@@]1(C2CCN(C(=O)NC[C@H]3CCCO3)CC2)NC(=O)NC1=O ZINC000075106744 415433569 /nfs/dbraw/zinc/43/35/69/415433569.db2.gz CCVFDOWPMBYDBD-ABAIWWIYSA-N 0 0 324.381 0.185 50 0 DCAARN COc1ccc(N2C[C@H](C(=O)N(C)C[C@H](C)O)CC2=O)cc1 ZINC000075092833 415435125 /nfs/dbraw/zinc/43/51/25/415435125.db2.gz ZMQOVXQGXUDQAG-NWDGAFQWSA-N 0 0 306.362 0.887 50 0 DCAARN NC(=O)C[C@H](NC(=O)COc1ccccc1)C1CCOCC1 ZINC000075092017 415435310 /nfs/dbraw/zinc/43/53/10/415435310.db2.gz WOLDBTRFTSNZQD-AWEZNQCLSA-N 0 0 306.362 0.852 50 0 DCAARN COc1nn(C)cc1C(=O)NC[C@@]1(O)CCOc2ccccc21 ZINC000075158092 415437014 /nfs/dbraw/zinc/43/70/14/415437014.db2.gz GDZPBOAMJFVGMW-INIZCTEOSA-N 0 0 317.345 0.829 50 0 DCAARN COc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)ncn1 ZINC000075166452 415441060 /nfs/dbraw/zinc/44/10/60/415441060.db2.gz MJFRLEGBOXVILA-UHFFFAOYSA-N 0 0 314.367 0.095 50 0 DCAARN CCOC(=O)CNC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000075164225 415441574 /nfs/dbraw/zinc/44/15/74/415441574.db2.gz RCEKLIGXQXESQI-ZDUSSCGKSA-N 0 0 320.345 0.093 50 0 DCAARN Cc1noc(Cn2nc3cc(-c4nc(C)no4)ccn3c2=O)n1 ZINC000075166069 415442950 /nfs/dbraw/zinc/44/29/50/415442950.db2.gz LXGAXOWFQGJOGV-UHFFFAOYSA-N 0 0 313.277 0.594 50 0 DCAARN COCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12 ZINC000075532817 415447903 /nfs/dbraw/zinc/44/79/03/415447903.db2.gz CEIAIGNXWBXEOT-UHFFFAOYSA-N 0 0 301.306 0.255 50 0 DCAARN Cc1[nH]ccc1C(=O)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1 ZINC000091254331 415536583 /nfs/dbraw/zinc/53/65/83/415536583.db2.gz XEIPMEKVPOVAOS-HUUCEWRRSA-N 0 0 321.421 0.726 50 0 DCAARN CCc1cnc(N2CCN(CC(=O)N3CCCC3)CC2)nc1 ZINC000095357159 415553602 /nfs/dbraw/zinc/55/36/02/415553602.db2.gz HHDPBMYRUWNEDP-UHFFFAOYSA-N 0 0 303.410 0.783 50 0 DCAARN CC(=O)N1CCC[C@H](C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)C1 ZINC000095371789 415554873 /nfs/dbraw/zinc/55/48/73/415554873.db2.gz SUPWNLVIXACKBS-LBPRGKRZSA-N 0 0 318.377 0.189 50 0 DCAARN CN(Cc1cc[nH]n1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000095375617 415558877 /nfs/dbraw/zinc/55/88/77/415558877.db2.gz YBOALYZXQSZWRX-GFCCVEGCSA-N 0 0 313.361 0.812 50 0 DCAARN CCN1C[C@H](NS(=O)(=O)C[C@@H]2CCCC2(F)F)CC1=O ZINC000333113254 415559593 /nfs/dbraw/zinc/55/95/93/415559593.db2.gz SOGQPMYULBXANI-VHSXEESVSA-N 0 0 310.366 0.962 50 0 DCAARN CC[C@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)CCO1 ZINC000095955488 415564391 /nfs/dbraw/zinc/56/43/91/415564391.db2.gz BFLNBQHTBHMBQK-JTQLQIEISA-N 0 0 304.354 0.427 50 0 DCAARN CNC(=O)NC(=O)CN1CCN(CC(F)(F)F)CC1(C)C ZINC000095986114 415567936 /nfs/dbraw/zinc/56/79/36/415567936.db2.gz UKQPDOYUMZBUAN-UHFFFAOYSA-N 0 0 310.320 0.401 50 0 DCAARN CN1CCC[C@@H](N2CCN(C(=O)c3ccc(O)cc3)CC2)C1=O ZINC000095995308 415569613 /nfs/dbraw/zinc/56/96/13/415569613.db2.gz IDJIBYGRHWNEDH-OAHLLOKOSA-N 0 0 317.389 0.771 50 0 DCAARN CCN1C(=O)C2=C(C(=O)c3ccc4ccccc4n3)NN[C@@H]2C1=O ZINC000103462794 415617349 /nfs/dbraw/zinc/61/73/49/415617349.db2.gz PUPNBHXGDTUZEQ-OCCSQVGLSA-N 0 0 322.324 0.750 50 0 DCAARN COCCNC(=O)CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000096407454 415577870 /nfs/dbraw/zinc/57/78/70/415577870.db2.gz WBCXQFNEBBXAFS-NXEZZACHSA-N 0 0 312.316 0.947 50 0 DCAARN Cc1csc(N2CCN(c3ccc4nnnn4n3)C[C@H]2C)n1 ZINC000106839948 415649737 /nfs/dbraw/zinc/64/97/37/415649737.db2.gz BZURWOJDZXRMTL-SNVBAGLBSA-N 0 0 316.394 0.999 50 0 DCAARN O[C@@H](Cn1cnc2c1ncnc2N1CCOCC1)C(F)(F)F ZINC000097141607 415587388 /nfs/dbraw/zinc/58/73/88/415587388.db2.gz XCICYCWYDQZVMM-QMMMGPOBSA-N 0 0 317.271 0.586 50 0 DCAARN O=C(Cn1cnnn1)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000107165945 415660153 /nfs/dbraw/zinc/66/01/53/415660153.db2.gz CTVMNUWMNPZWDH-UHFFFAOYSA-N 0 0 319.325 0.893 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)c2cn(C)nc2C(C)(C)C)cn1 ZINC000127096098 415881760 /nfs/dbraw/zinc/88/17/60/415881760.db2.gz JAZMODXLONGWCB-UHFFFAOYSA-N 0 0 318.381 0.912 50 0 DCAARN COCCc1noc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)n1 ZINC000299762192 416064324 /nfs/dbraw/zinc/06/43/24/416064324.db2.gz LWTRBWYZJPJOHH-RYUDHWBXSA-N 0 0 320.353 0.196 50 0 DCAARN CN1CC(=O)N(c2cccc(NC(=O)N[C@H]3CCOC3)c2)C1=O ZINC000299775010 416065502 /nfs/dbraw/zinc/06/55/02/416065502.db2.gz JKRPDQQMYNGEAW-NSHDSACASA-N 0 0 318.333 0.995 50 0 DCAARN COCCN1C[C@@H](CNC(=O)c2ccncc2Cl)CC1=O ZINC000299765138 416066197 /nfs/dbraw/zinc/06/61/97/416066197.db2.gz WVGMUBBVAWDMKG-SNVBAGLBSA-N 0 0 311.769 0.960 50 0 DCAARN C[C@@H]1CN(CC(=O)NCc2cnc3cnccn23)C[C@H](C)O1 ZINC000299775596 416067277 /nfs/dbraw/zinc/06/72/77/416067277.db2.gz FHEDVIXSPKHNMN-TXEJJXNPSA-N 0 0 303.366 0.455 50 0 DCAARN CCc1nnc(CN2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)[nH]1 ZINC000299783420 416067293 /nfs/dbraw/zinc/06/72/93/416067293.db2.gz XZMSYHADPVLUIR-ZWUHOBOKSA-N 0 0 322.409 0.355 50 0 DCAARN O=C([O-])C[C@H]1C[N@@H+](Cc2ccc(CO)o2)C[C@H]1c1c[nH]nn1 ZINC000299777859 416068038 /nfs/dbraw/zinc/06/80/38/416068038.db2.gz OZKOXWULDOIBFD-JOYOIKCWSA-N 0 0 306.322 0.580 50 0 DCAARN O=C(NCCc1noc(C2CC2)n1)c1nnc2n1CCCC2 ZINC000299791365 416068713 /nfs/dbraw/zinc/06/87/13/416068713.db2.gz DOAHVLPNXMYWCL-UHFFFAOYSA-N 0 0 302.338 0.847 50 0 DCAARN CCN1CCNC(=O)[C@H]1CC(=O)NCCCc1ccccn1 ZINC000299792484 416069565 /nfs/dbraw/zinc/06/95/65/416069565.db2.gz FZEKNBPPDCCSMW-CQSZACIVSA-N 0 0 304.394 0.341 50 0 DCAARN COCCn1cnnc1[C@@H](C)NC(=O)CN1CCCCCC1=O ZINC000299794729 416070087 /nfs/dbraw/zinc/07/00/87/416070087.db2.gz NIHVJBDHCAGKSX-GFCCVEGCSA-N 0 0 323.397 0.504 50 0 DCAARN CCc1csc(CCNC(=O)[C@@H]2CCC(=O)NC(=O)N2)n1 ZINC000299800611 416070963 /nfs/dbraw/zinc/07/09/63/416070963.db2.gz HQSFAONJHXACJP-VIFPVBQESA-N 0 0 310.379 0.352 50 0 DCAARN O=C(NCc1cccnc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171606683 416040698 /nfs/dbraw/zinc/04/06/98/416040698.db2.gz QDMGWGDFEQXZMT-AWEZNQCLSA-N 0 0 301.350 0.889 50 0 DCAARN Nc1nnc(CNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)o1 ZINC000330612890 416218269 /nfs/dbraw/zinc/21/82/69/416218269.db2.gz XYOHERDLOPUWAN-SSDOTTSWSA-N 0 0 307.276 0.542 50 0 DCAARN Cc1nn(Cc2cccc(S(=O)(=O)N(C)C)c2)c(=O)s1 ZINC000192455335 416305544 /nfs/dbraw/zinc/30/55/44/416305544.db2.gz GDTOEMHGYRBSGS-UHFFFAOYSA-N 0 0 313.404 0.912 50 0 DCAARN COc1cccc(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)c1O ZINC000331234854 416292086 /nfs/dbraw/zinc/29/20/86/416292086.db2.gz KYVKPFAIPJKQOC-SECBINFHSA-N 0 0 314.363 0.294 50 0 DCAARN COCc1nc(C(=O)N2CCC[C@@H](OCCO)C2)cs1 ZINC000331234956 416292327 /nfs/dbraw/zinc/29/23/27/416292327.db2.gz JYIPNWDUTBVRGB-SNVBAGLBSA-N 0 0 300.380 0.903 50 0 DCAARN Cc1nc(CN2CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)no1 ZINC000253431008 416334813 /nfs/dbraw/zinc/33/48/13/416334813.db2.gz PWCYVUPGJRLRAC-UHFFFAOYSA-N 0 0 318.381 0.605 50 0 DCAARN Cc1cccc(=O)n1CCCNC(=O)c1nc2ncccn2n1 ZINC000215320118 416327070 /nfs/dbraw/zinc/32/70/70/416327070.db2.gz ZLGQFPDCZRGJHJ-UHFFFAOYSA-N 0 0 312.333 0.415 50 0 DCAARN CN(C)c1ncc(CN2CCC[C@H](CS(C)(=O)=O)C2)cn1 ZINC000216266584 416327588 /nfs/dbraw/zinc/32/75/88/416327588.db2.gz PTBOVIBHUXQYIU-LBPRGKRZSA-N 0 0 312.439 0.799 50 0 DCAARN COCCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2ccoc2)C1 ZINC000243932267 416330357 /nfs/dbraw/zinc/33/03/57/416330357.db2.gz BTYCORHUXBIABA-HAQNSBGRSA-N 0 0 320.349 0.686 50 0 DCAARN CC[C@@H](C(=O)NC1CCCC1)N1CCN(c2nc[nH]n2)CC1 ZINC000244691727 416330758 /nfs/dbraw/zinc/33/07/58/416330758.db2.gz JICVCAZDTRQKKC-ZDUSSCGKSA-N 0 0 306.414 0.764 50 0 DCAARN Cn1ccc(NC(=O)CN2CCCN(c3ncccn3)CC2)n1 ZINC000244724366 416330822 /nfs/dbraw/zinc/33/08/22/416330822.db2.gz MSQDHPPLTOPLHF-UHFFFAOYSA-N 0 0 315.381 0.361 50 0 DCAARN COc1c[nH]c(CN2CCN(c3ncccn3)CC2)cc1=O ZINC000244724632 416330988 /nfs/dbraw/zinc/33/09/88/416330988.db2.gz MXSHYYRUVPDPAH-UHFFFAOYSA-N 0 0 301.350 0.908 50 0 DCAARN Cc1cc(N)n(CC(=O)NCc2ccc(C(=O)N(C)C)o2)n1 ZINC000244715752 416330999 /nfs/dbraw/zinc/33/09/99/416330999.db2.gz LBMJSQSLPXYVJS-UHFFFAOYSA-N 0 0 305.338 0.385 50 0 DCAARN Cc1nonc1C(=O)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000244773888 416331019 /nfs/dbraw/zinc/33/10/19/416331019.db2.gz PIHRYNIBKXDPKB-UHTWSYAYSA-N 0 0 302.334 0.885 50 0 DCAARN COc1cccc(CCC(=O)N[C@@H]2CCN(C(C)=O)C[C@H]2O)c1 ZINC000244795810 416331155 /nfs/dbraw/zinc/33/11/55/416331155.db2.gz ROCAWCIPEHJLPB-HZPDHXFCSA-N 0 0 320.389 0.726 50 0 DCAARN CN(C[C@@H]1Cc2ccccc2O1)C(=O)NCCc1nc(N)n[nH]1 ZINC000534653769 416507162 /nfs/dbraw/zinc/50/71/62/416507162.db2.gz ULLRASXISHFBAK-NSHDSACASA-N 0 0 316.365 0.575 50 0 DCAARN Cc1ccc(CN(C)CC(=O)NCCc2nc(N)n[nH]2)cc1 ZINC000534584235 416507770 /nfs/dbraw/zinc/50/77/70/416507770.db2.gz NYTBOPZTHSKUJW-UHFFFAOYSA-N 0 0 302.382 0.486 50 0 DCAARN C[C@]1(c2ccccc2)CN(C(=O)C2(n3cnnn3)CC2)CCO1 ZINC000585107069 416518398 /nfs/dbraw/zinc/51/83/98/416518398.db2.gz CDBQOBCZJQHZNJ-OAHLLOKOSA-N 0 0 313.361 0.936 50 0 DCAARN COCc1nc(NCCc2c[nH]cn2)cc([C@@H]2CCOC2)n1 ZINC000426534092 416776062 /nfs/dbraw/zinc/77/60/62/416776062.db2.gz RWWYZVLZHZILLZ-LLVKDONJSA-N 0 0 303.366 1.505 50 0 DCAARN Cc1cc(C)n(CCNc2cc([C@@H]3CCOC3)nc(N)n2)n1 ZINC000426628790 416779323 /nfs/dbraw/zinc/77/93/23/416779323.db2.gz QLNQTEGMDGKNOZ-GFCCVEGCSA-N 0 0 302.382 0.910 50 0 DCAARN Cn1cc(C(=O)N2CCC[C@H]2c2ccc(=O)[nH]n2)ccc1=O ZINC000530075332 417538063 /nfs/dbraw/zinc/53/80/63/417538063.db2.gz HKHIIWBQTLCFFQ-LBPRGKRZSA-N 0 0 300.318 0.858 50 0 DCAARN CCn1nccc1C(=O)N1CC(c2nc(CCOC)no2)C1 ZINC000575548237 417538486 /nfs/dbraw/zinc/53/84/86/417538486.db2.gz CHTYLUFVMUADSJ-UHFFFAOYSA-N 0 0 305.338 0.715 50 0 DCAARN COc1nc(CNC(=O)[C@H](C)Oc2ccccc2)nc(OC)n1 ZINC000575604310 417538832 /nfs/dbraw/zinc/53/88/32/417538832.db2.gz WGSDLZKYFGLWQQ-JTQLQIEISA-N 0 0 318.333 0.973 50 0 DCAARN CN(C)c1nc(CNC(=O)CC2CC2)nc(N2CCOCC2)n1 ZINC000575604889 417540326 /nfs/dbraw/zinc/54/03/26/417540326.db2.gz CYGUJPUVEDXSSX-UHFFFAOYSA-N 0 0 320.397 0.191 50 0 DCAARN O=C(NCCn1nc(C2CC2)ccc1=O)NC1CCOCC1 ZINC000575608089 417541050 /nfs/dbraw/zinc/54/10/50/417541050.db2.gz LSGPFMUNUPMBFQ-UHFFFAOYSA-N 0 0 306.366 0.599 50 0 DCAARN CCOc1ccc(C(=O)NCc2nc(OC)nc(OC)n2)cn1 ZINC000575607379 417541142 /nfs/dbraw/zinc/54/11/42/417541142.db2.gz MRTOQXZDBKZLGA-UHFFFAOYSA-N 0 0 319.321 0.613 50 0 DCAARN Cc1cc(O[C@H]2CCCN(S(=O)(=O)N(C)C)C2)nc(C)n1 ZINC000575610706 417541768 /nfs/dbraw/zinc/54/17/68/417541768.db2.gz XKRFJYGRDQQFSB-LBPRGKRZSA-N 0 0 314.411 0.743 50 0 DCAARN O=C(N1CCOCC1)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575609274 417541828 /nfs/dbraw/zinc/54/18/28/417541828.db2.gz TYWJAECSHUGIRY-UHFFFAOYSA-N 0 0 317.393 0.928 50 0 DCAARN Cn1nccc1-c1ccc(CNC(=O)c2ccc(=O)n(C)n2)cn1 ZINC000575621799 417541971 /nfs/dbraw/zinc/54/19/71/417541971.db2.gz UTWDOIHZYFHXQA-UHFFFAOYSA-N 0 0 324.344 0.506 50 0 DCAARN Cc1ccc(CNC(=O)[C@H]2CCN(c3cnn(C)c(=O)c3)C2)o1 ZINC000575314844 417526896 /nfs/dbraw/zinc/52/68/96/417526896.db2.gz RWUDRIDXHUMPAI-LBPRGKRZSA-N 0 0 316.361 0.824 50 0 DCAARN CCc1ncc(CNC(=O)NCc2nnn(C(C)(C)C)n2)o1 ZINC000654584386 418163607 /nfs/dbraw/zinc/16/36/07/418163607.db2.gz PFWUSBMJLUUIFD-UHFFFAOYSA-N 0 0 307.358 0.978 50 0 DCAARN CN(C)C(=O)NCC(=O)NC[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000299768523 229417458 /nfs/dbraw/zinc/41/74/58/229417458.db2.gz JXYWFEMJSDVNCS-LBPRGKRZSA-N 0 0 318.377 0.427 50 0 DCAARN CC1=C(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)Cn2nnnc2N1C ZINC000241897332 276175701 /nfs/dbraw/zinc/17/57/01/276175701.db2.gz TXSOUVVKQJCZOP-VHDGCEQUSA-N 0 0 322.372 0.851 50 0 DCAARN CCn1ccnc1CN1CCCN(C(=O)c2ccnn2C)CC1 ZINC000069626791 276716751 /nfs/dbraw/zinc/71/67/51/276716751.db2.gz VECYWTQGNGLBIH-UHFFFAOYSA-N 0 0 316.409 0.985 50 0 DCAARN CN(C)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000073854191 276744502 /nfs/dbraw/zinc/74/45/02/276744502.db2.gz FKTPTFWAFNQWHE-UHFFFAOYSA-N 0 0 322.390 0.435 50 0 DCAARN CC(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000408036808 276969453 /nfs/dbraw/zinc/96/94/53/276969453.db2.gz XJURXYMAORGUKD-CYBMUJFWSA-N 0 0 309.410 0.714 50 0 DCAARN COCC(=O)N1CCCN(c2ncnc3onc(C)c32)CC1 ZINC000091585545 277195467 /nfs/dbraw/zinc/19/54/67/277195467.db2.gz MGLDXWDYXQWNTL-UHFFFAOYSA-N 0 0 305.338 0.611 50 0 DCAARN CNC(=O)NC(=O)[C@H](C)N(C)Cc1ccc2c(c1)OCCO2 ZINC000016381389 277236661 /nfs/dbraw/zinc/23/66/61/277236661.db2.gz FJLHJQQPFJTVDT-JTQLQIEISA-N 0 0 307.350 0.734 50 0 DCAARN CS(=O)(=O)N[C@H]1CCN([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000192029937 278114551 /nfs/dbraw/zinc/11/45/51/278114551.db2.gz WNACEIQICXNXKR-GXTWGEPZSA-N 0 0 323.418 0.563 50 0 DCAARN CC(=O)N[C@H](C(=O)NC[C@@H](C(C)C)N1CCOCC1)C(C)C ZINC000042028310 278158861 /nfs/dbraw/zinc/15/88/61/278158861.db2.gz ZJZQWNIRUUNHTH-GJZGRUSLSA-N 0 0 313.442 0.620 50 0 DCAARN CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000188976492 279009967 /nfs/dbraw/zinc/00/99/67/279009967.db2.gz MIGRUNLADNHKEL-CYBMUJFWSA-N 0 0 301.350 0.945 50 0 DCAARN CCN(CC(=O)N1CCOc2ccccc21)[C@H]1COC[C@@H]1O ZINC000244748746 279051484 /nfs/dbraw/zinc/05/14/84/279051484.db2.gz ONLIRGMLKDYDOP-KBPBESRZSA-N 0 0 306.362 0.494 50 0 DCAARN CC(C)C[C@]1(C)NC(=O)N(CC(=O)NC(=O)NC(C)C)C1=O ZINC000003326069 279237873 /nfs/dbraw/zinc/23/78/73/279237873.db2.gz PCIFWSIWPVNMBT-AWEZNQCLSA-N 0 0 312.370 0.577 50 0 DCAARN CCNC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000170684182 279496411 /nfs/dbraw/zinc/49/64/11/279496411.db2.gz RPISOTXXKUWOCZ-UHFFFAOYSA-N 0 0 307.169 0.846 50 0 DCAARN C[C@@H]1CN(c2nc3c(cnn3C)c(N)n2)C[C@]2(CCCOC2)O1 ZINC000253430033 288275156 /nfs/dbraw/zinc/27/51/56/288275156.db2.gz JNYUBIJOMMUVTB-BMIGLBTASA-N 0 0 318.381 0.720 50 0 DCAARN C[C@@H]1COCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000026846987 288348532 /nfs/dbraw/zinc/34/85/32/288348532.db2.gz VGDQFJAOBHDJBW-SECBINFHSA-N 0 0 312.347 0.427 50 0 DCAARN CC1=NO[C@@](C)(C(=O)N2CCc3nc(C)n(C)c(=O)c3CC2)C1 ZINC000065372077 281703578 /nfs/dbraw/zinc/70/35/78/281703578.db2.gz DYDPIZPFWFZYRY-MRXNPFEDSA-N 0 0 318.377 0.571 50 0 DCAARN C[C@H](C(N)=O)N1CCCn2nc(CCC(=O)NC3CC3)cc2C1 ZINC000082099667 289393642 /nfs/dbraw/zinc/39/36/42/289393642.db2.gz NEISSYHWOIXJJE-LLVKDONJSA-N 0 0 319.409 0.174 50 0 DCAARN Cc1nc2ncnn2c(N2CCS(=O)(=O)C(C)(C)C2)c1C ZINC000095410734 293557472 /nfs/dbraw/zinc/55/74/72/293557472.db2.gz YKGSRKFLYDESQT-UHFFFAOYSA-N 0 0 309.395 0.755 50 0 DCAARN Cc1nn(-c2ccccc2)nc1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000004324757 293687659 /nfs/dbraw/zinc/68/76/59/293687659.db2.gz QEBZVQHAYUJWOE-NSHDSACASA-N 0 0 320.374 0.493 50 0 DCAARN Cn1c2c(ccn2CC(=O)NC2CCCCC2)c(=O)n(C)c1=O ZINC000065030905 294176166 /nfs/dbraw/zinc/17/61/66/294176166.db2.gz SXAYDNHAYPYJBR-UHFFFAOYSA-N 0 0 318.377 0.488 50 0 DCAARN NC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@@]23CCc2ccccc23)CCO1 ZINC000095404176 295117767 /nfs/dbraw/zinc/11/77/67/295117767.db2.gz JKZUILKYAJJVTR-JKIFEVAISA-N 0 0 300.358 0.603 50 0 DCAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(=O)nc2[nH]cnn23)c1 ZINC000013544200 295315078 /nfs/dbraw/zinc/31/50/78/295315078.db2.gz SAHLSUNCFGLPFM-JTQLQIEISA-N 0 0 311.301 0.900 50 0 DCAARN NS(=O)(=O)CCCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000076016652 303435517 /nfs/dbraw/zinc/43/55/17/303435517.db2.gz CCRRKDXFGPPJFB-BDAKNGLRSA-N 0 0 318.345 0.863 50 0 DCAARN O=C(CCc1cc(=O)[n-]o1)N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000244816977 303590999 /nfs/dbraw/zinc/59/09/99/303590999.db2.gz SSBLCXQWPJJGNW-XHBSWPGZSA-N 0 0 323.393 0.568 50 0 DCAARN O=C(CCn1ccccc1=O)N1CCC[C@]2(CNC(=O)O2)C1 ZINC000072156426 303594110 /nfs/dbraw/zinc/59/41/10/303594110.db2.gz ZDDGJZUBDRCFKY-HNNXBMFYSA-N 0 0 305.334 0.339 50 0 DCAARN O=C(NC[C@H](O)CN1CCOCC1)[C@H]1CCCc2sccc21 ZINC000095442303 303801359 /nfs/dbraw/zinc/80/13/59/303801359.db2.gz ZGCWALOTDZFAIU-JSGCOSHPSA-N 0 0 324.446 0.977 50 0 DCAARN CS(=O)(=O)N(CC(=O)N1CCOCC1)c1cccc(F)c1 ZINC000000470679 331463040 /nfs/dbraw/zinc/46/30/40/331463040.db2.gz WJRUZZJXGQLTQV-UHFFFAOYSA-N 0 0 316.354 0.451 50 0 DCAARN Cc1[nH]c(=O)c(C(=O)N[C@@H](C)CCO)cc1Br ZINC000097165511 332193463 /nfs/dbraw/zinc/19/34/63/332193463.db2.gz CDZDDJAUKIGNHV-LURJTMIESA-N 0 0 303.156 0.947 50 0 DCAARN Cc1cc2nc(C(=O)NC[C@H]3CN(C)CCO3)cc(C)n2n1 ZINC000534578912 334288685 /nfs/dbraw/zinc/28/86/85/334288685.db2.gz PFJUMCDWOAHTFQ-LBPRGKRZSA-N 0 0 303.366 0.407 50 0 DCAARN CN1C(=O)COc2ccc(NC(=O)N3CCOC[C@@H](O)C3)cc21 ZINC000534581155 334289252 /nfs/dbraw/zinc/28/92/52/334289252.db2.gz SQGZOIKTXGQUFY-NSHDSACASA-N 0 0 321.333 0.267 50 0 DCAARN COCCN(Cc1ccccc1OC)C(=O)NCC(=O)N(C)C ZINC000534631086 334307523 /nfs/dbraw/zinc/30/75/23/334307523.db2.gz JRVFIBRIZIYWEI-UHFFFAOYSA-N 0 0 323.393 0.941 50 0 DCAARN CN(C)C(=O)c1ccc(CNC(=O)CCCn2cnnn2)cc1 ZINC000534633012 334308037 /nfs/dbraw/zinc/30/80/37/334308037.db2.gz UPSIWVIFALSOEM-UHFFFAOYSA-N 0 0 316.365 0.472 50 0 DCAARN CCN(CC)C(=O)[C@H]1CCCN(C(=O)NCCn2cncn2)C1 ZINC000534656126 334313702 /nfs/dbraw/zinc/31/37/02/334313702.db2.gz YTWRRQHKFMOHKC-ZDUSSCGKSA-N 0 0 322.413 0.568 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299763858 534333693 /nfs/dbraw/zinc/33/36/93/534333693.db2.gz FRFOYEHZDONATC-KBPBESRZSA-N 0 0 317.349 0.798 50 0 DCAARN O=C(CSc1nncs1)NCCN1C(=O)CSC1=O ZINC000007194552 518198951 /nfs/dbraw/zinc/19/89/51/518198951.db2.gz FHZOGLNZYPFSNO-UHFFFAOYSA-N 0 0 318.405 0.442 50 0 DCAARN Cc1nccn1CCCNC(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000266986587 527417075 /nfs/dbraw/zinc/41/70/75/527417075.db2.gz USEJSWJGNLWSRC-CYBMUJFWSA-N 0 0 307.398 0.879 50 0 DCAARN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C)CCN1C(=O)[C@H]1C[C@H]1C ZINC000239591317 527881125 /nfs/dbraw/zinc/88/11/25/527881125.db2.gz BAVXYYZHZWSQNY-ZSLBOAEBSA-N 0 0 322.405 0.901 50 0 DCAARN Cc1nc(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)n(C)n1 ZINC000183693286 545909294 /nfs/dbraw/zinc/90/92/94/545909294.db2.gz PPZSRULDXCMHBJ-NSHDSACASA-N 0 0 303.322 0.939 50 0 DCAARN CCn1nc(CO)c2c1CCN(C(=O)Cn1nc(C)cc1N)C2 ZINC000215761147 545937452 /nfs/dbraw/zinc/93/74/52/545937452.db2.gz IRFLDOKNEZZVNY-UHFFFAOYSA-N 0 0 318.381 0.067 50 0 DCAARN CN(Cc1nc2ccccc2n1C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000216057827 545939472 /nfs/dbraw/zinc/93/94/72/545939472.db2.gz WOLKBLIRXUOCCO-JTQLQIEISA-N 0 0 315.333 0.130 50 0 DCAARN O=C(N[C@@H]1CCOC[C@H]1O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000222359603 545941260 /nfs/dbraw/zinc/94/12/60/545941260.db2.gz HSLMPYJQEIUNAI-DGCLKSJQSA-N 0 0 306.293 0.547 50 0 DCAARN CC(=O)c1ccc(C(=O)NCCSc2nnnn2C)s1 ZINC000222362729 545941541 /nfs/dbraw/zinc/94/15/41/545941541.db2.gz MGYMAQPVFMZLDF-UHFFFAOYSA-N 0 0 311.392 0.996 50 0 DCAARN COCCOCCN1CCN(C(=O)c2cc(C)sn2)CC1 ZINC000585090597 546303509 /nfs/dbraw/zinc/30/35/09/546303509.db2.gz UMPYNCPMBWIRJD-UHFFFAOYSA-N 0 0 313.423 0.872 50 0 DCAARN CC(C)CN1C[C@H](C(=O)NCc2cnc3cnccn23)CC1=O ZINC000670446685 547094781 /nfs/dbraw/zinc/09/47/81/547094781.db2.gz FSJAEPNDZAFINJ-GFCCVEGCSA-N 0 0 315.377 0.850 50 0 DCAARN CN(C)C(=O)NCC(=O)N[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000670464120 547099529 /nfs/dbraw/zinc/09/95/29/547099529.db2.gz MBJFQJFSCHECJT-LLVKDONJSA-N 0 0 322.365 0.272 50 0 DCAARN Cc1ncc(CN2CC(N3C[C@@H](C(=O)N(C)C)CC3=O)C2)o1 ZINC000685940451 548747106 /nfs/dbraw/zinc/74/71/06/548747106.db2.gz APPIUKNQTVEJIY-NSHDSACASA-N 0 0 306.366 0.104 50 0 DCAARN Cc1cccnc1C(=O)NC[C@H]1C[C@H](c2nncn2C)C[C@H]1O ZINC000685943140 548748292 /nfs/dbraw/zinc/74/82/92/548748292.db2.gz RYHHKQRXMGANRG-YNEHKIRRSA-N 0 0 315.377 0.803 50 0 DCAARN Cc1ccc2[nH]c([C@H](C)NC(=O)CCNS(C)(=O)=O)nc2c1 ZINC000221235650 563723111 /nfs/dbraw/zinc/72/31/11/563723111.db2.gz RIRMPTHEAHSKRF-JTQLQIEISA-N 0 0 324.406 0.988 50 0 DCAARN Cc1[nH]c2ccccc2c1CC(=O)NCc1noc(C(N)=O)n1 ZINC000222289989 563724769 /nfs/dbraw/zinc/72/47/69/563724769.db2.gz WOLNZTAHFUPATR-UHFFFAOYSA-N 0 0 313.317 0.817 50 0 DCAARN CCc1c(C(=O)N2CCCC3(C2)OCCO3)[nH]c(C)c1C(N)=O ZINC000170055628 563903292 /nfs/dbraw/zinc/90/32/92/563903292.db2.gz ILJIOYMSXJCKSA-UHFFFAOYSA-N 0 0 321.377 0.964 50 0 DCAARN Cc1cnn(C[C@@H](C)NC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c1 ZINC000888093123 661153677 /nfs/dbraw/zinc/15/36/77/661153677.db2.gz RTOYYGSLLHCUTC-MGPQQGTHSA-N 0 0 319.409 0.842 50 0 DCAARN CC[C@@H](O)CN1CCN(c2ncnc(Cl)c2NC=O)CC1 ZINC000888097130 661176465 /nfs/dbraw/zinc/17/64/65/661176465.db2.gz BQZSJJZVFUPCLO-SNVBAGLBSA-N 0 0 313.789 0.591 50 0 DCAARN C[C@H](CN1CCCC1=O)NC(=O)c1cnc2c(c1)ncn2C ZINC000180956811 659007022 /nfs/dbraw/zinc/00/70/22/659007022.db2.gz MPXJXECEMPLGOY-SNVBAGLBSA-N 0 0 301.350 0.709 50 0 DCAARN COCCN(Cc1ccncc1)C(=O)[C@H](C)N1CCN(C)CC1 ZINC000426658149 661689968 /nfs/dbraw/zinc/68/99/68/661689968.db2.gz ATHYDXBXNCSOBV-HNNXBMFYSA-N 0 0 320.437 0.693 50 0 DCAARN NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NC2(CO)CCCCCC2)C1 ZINC000952973718 665835524 /nfs/dbraw/zinc/83/55/24/665835524.db2.gz PBWHNRDERAWLIC-CYBMUJFWSA-N 0 0 311.426 0.385 50 0 DCAARN O=C(CCCn1cncn1)NCCNC(=O)c1ccc(F)cc1 ZINC000055626098 664381139 /nfs/dbraw/zinc/38/11/39/664381139.db2.gz REIVDTKAQGLGIT-UHFFFAOYSA-N 0 0 319.340 0.744 50 0 DCAARN Cc1nn(C)c(C)c1CCC(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC000952969795 685599075 /nfs/dbraw/zinc/59/90/75/685599075.db2.gz OWIKNUFPLNRWDH-UHFFFAOYSA-N 0 0 322.409 0.635 50 0 DCAARN COc1cn(C)nc1[C@H](C)[N-]S(=O)(=O)c1c(C)onc1N ZINC000952995023 685603655 /nfs/dbraw/zinc/60/36/55/685603655.db2.gz AKQSETUWDJYLCM-LURJTMIESA-N 0 0 315.355 0.347 50 0 DCAARN C[C@H]1C(=O)N2CCN(C(=O)Oc3ccccc3)C[C@@H]2C(=O)N1C ZINC000014746301 685048512 /nfs/dbraw/zinc/04/85/12/685048512.db2.gz OIPJCEAQRASXHP-WCQYABFASA-N 0 0 317.345 0.559 50 0 DCAARN NC(=O)CN1CCC=C(CCNS(=O)(=O)c2ccccc2)C1 ZINC000065409384 685064091 /nfs/dbraw/zinc/06/40/91/685064091.db2.gz VGWJOHQCHCYFBK-UHFFFAOYSA-N 0 0 323.418 0.472 50 0 DCAARN Cc1ccccc1[C@@H](C(=O)N1CCN(C(N)=O)CC1)N(C)C ZINC000095530574 685110995 /nfs/dbraw/zinc/11/09/95/685110995.db2.gz IMBWZFPFFIZIBO-AWEZNQCLSA-N 0 0 304.394 0.821 50 0 DCAARN CN(C(=O)c1cccn1C)[C@@H]1CCc2nn(C)c(=O)n2CC1 ZINC000169783268 685141170 /nfs/dbraw/zinc/14/11/70/685141170.db2.gz WOKGBFXTHPEAIW-LLVKDONJSA-N 0 0 303.366 0.397 50 0 DCAARN CC[C@H]1C[C@@H](O)CCN1C(=O)c1cc(N2CCOCC2)no1 ZINC001772702333 1157841870 /nfs/dbraw/zinc/84/18/70/1157841870.db2.gz RGBVOHRAYUOJDO-RYUDHWBXSA-N 0 0 309.366 0.887 50 0 DCAARN Cc1nnc2n1C[C@H](CNC(=O)c1ccc3c(c1)OCO3)C2 ZINC001772704275 1157844023 /nfs/dbraw/zinc/84/40/23/1157844023.db2.gz QBCVYPAMAJNZME-JTQLQIEISA-N 0 0 300.318 0.918 50 0 DCAARN O=C(Cn1nc2ccccc2n1)N1CCC([C@H](O)CO)CC1 ZINC001772709092 1157845768 /nfs/dbraw/zinc/84/57/68/1157845768.db2.gz HPWXQKHXCPIQLX-CQSZACIVSA-N 0 0 304.350 0.023 50 0 DCAARN COc1ccc(C(=O)[O-])cc1CN1C[C@H]2C[NH2+]C[C@]2(CO)C1 ZINC001772710904 1157848133 /nfs/dbraw/zinc/84/81/33/1157848133.db2.gz UMKOOUMUMHWSBQ-CZUORRHYSA-N 0 0 306.362 0.407 50 0 DCAARN CNC(=O)c1ccc(CNC(=O)[C@@H]2CC[C@H](O)[C@H](OC)C2)cc1 ZINC001704314650 1179971072 /nfs/dbraw/zinc/97/10/72/1179971072.db2.gz VXMFCIXZEOFECO-QLFBSQMISA-N 0 0 320.389 0.838 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)C[C@H]2O)on1 ZINC001704338953 1179977636 /nfs/dbraw/zinc/97/76/36/1179977636.db2.gz ARYFGYLLJJVTFL-TZMCWYRMSA-N 0 0 317.345 0.357 50 0 DCAARN C[C@@]1(O)CCOC2(CCN(C(=O)CCS(C)(=O)=O)CC2)C1 ZINC001704344386 1179979862 /nfs/dbraw/zinc/97/98/62/1179979862.db2.gz PCDYUORPGLGUEI-CYBMUJFWSA-N 0 0 319.423 0.344 50 0 DCAARN CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cccs1 ZINC001704343888 1179979882 /nfs/dbraw/zinc/97/98/82/1179979882.db2.gz KQAFRNSJFOZWDG-UWVGGRQHSA-N 0 0 318.420 0.384 50 0 DCAARN Cn1c2ccccc2cc(CN2CC[N@H+](C)[C@H](C(=O)[O-])C2)c1=O ZINC001704355549 1179984538 /nfs/dbraw/zinc/98/45/38/1179984538.db2.gz QMRQKPQPDMAKHR-HNNXBMFYSA-N 0 0 315.373 0.739 50 0 DCAARN COCCOC1CCN(CC(=O)Nc2cn(C)nc2C)CC1 ZINC001704355044 1179984744 /nfs/dbraw/zinc/98/47/44/1179984744.db2.gz LBDOFPWFVKYTDB-UHFFFAOYSA-N 0 0 310.398 0.794 50 0 DCAARN O=C(NCCn1cccnc1=O)[C@@H]1COc2ccccc2O1 ZINC000675008178 748024675 /nfs/dbraw/zinc/02/46/75/748024675.db2.gz GNERBOCRULCRNP-ZDUSSCGKSA-N 0 0 301.302 0.200 50 0 DCAARN CCOCc1cn([C@@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)nn1 ZINC000675017803 748026412 /nfs/dbraw/zinc/02/64/12/748026412.db2.gz GXVJKAXQXNAOGH-CYBMUJFWSA-N 0 0 318.381 0.944 50 0 DCAARN CCOCc1cn([C@H]2CCN(C(=O)Cn3cc(C)cn3)C2)nn1 ZINC000675018023 748026971 /nfs/dbraw/zinc/02/69/71/748026971.db2.gz KSXZVUWYNQVOLL-AWEZNQCLSA-N 0 0 318.381 0.793 50 0 DCAARN CO[C@H]1C[C@H]2CN(C(=O)COc3cccc(C)c3)CC(=O)N2C1 ZINC000675017964 748026976 /nfs/dbraw/zinc/02/69/76/748026976.db2.gz QVJOBCSVIHNNJN-ZFWWWQNUSA-N 0 0 318.373 0.832 50 0 DCAARN CCS(=O)(=O)N1CC(Cc2nc(-c3cccnc3)no2)C1 ZINC000675020414 748027344 /nfs/dbraw/zinc/02/73/44/748027344.db2.gz RHGZYOSSYJLROY-UHFFFAOYSA-N 0 0 308.363 0.956 50 0 DCAARN C[C@@H](O)CNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000675028890 748028800 /nfs/dbraw/zinc/02/88/00/748028800.db2.gz ARLONYUHEDKROI-ZCFIWIBFSA-N 0 0 320.754 0.330 50 0 DCAARN CN1CCN(C(=O)CN2C(=O)CCc3cccc(F)c32)CC1 ZINC000675027519 748029529 /nfs/dbraw/zinc/02/95/29/748029529.db2.gz OAZRHEDYWZBFDX-UHFFFAOYSA-N 0 0 305.353 0.879 50 0 DCAARN CC(=O)N1CCO[C@H](CNc2ncccc2-c2ncon2)C1 ZINC000820570224 758147969 /nfs/dbraw/zinc/14/79/69/758147969.db2.gz WICNAMXXLVJXCB-LLVKDONJSA-N 0 0 303.322 0.791 50 0 DCAARN CC(C)Cc1cc(CNC(=O)N[C@@H]2CCS(=O)(=O)C2)on1 ZINC000821483340 758173739 /nfs/dbraw/zinc/17/37/39/758173739.db2.gz IWVWTKUASMPHSN-SNVBAGLBSA-N 0 0 315.395 0.859 50 0 DCAARN CC[C@H](NS(=O)(=O)N1CCN(C)CC1)c1cccc(C)n1 ZINC000822658642 758202773 /nfs/dbraw/zinc/20/27/73/758202773.db2.gz HRSPPIBVSGLUAR-ZDUSSCGKSA-N 0 0 312.439 0.923 50 0 DCAARN CCCn1cc(S(=O)(=O)NC[C@@H]2CC(=O)N(C)C2)cn1 ZINC000823033295 758220537 /nfs/dbraw/zinc/22/05/37/758220537.db2.gz PPMMRAJVTSBCFT-JTQLQIEISA-N 0 0 300.384 0.050 50 0 DCAARN CCN(Cc1ccncc1)C(=O)NC[C@H]1CN(C)C(=O)CO1 ZINC000823056107 758222494 /nfs/dbraw/zinc/22/24/94/758222494.db2.gz MVCKNJFVDWZHBS-ZDUSSCGKSA-N 0 0 306.366 0.470 50 0 DCAARN CCNC(=O)[C@H]1CCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000823123373 758226551 /nfs/dbraw/zinc/22/65/51/758226551.db2.gz PMOKOCJGTNRSBB-LBPRGKRZSA-N 0 0 303.428 0.421 50 0 DCAARN CN1CC(=O)N(CC(=O)N(CC2CCC2)C[C@H]2CCCO2)C1=O ZINC000823748538 758263056 /nfs/dbraw/zinc/26/30/56/758263056.db2.gz MTSBUJMEYWOOKN-CYBMUJFWSA-N 0 0 323.393 0.688 50 0 DCAARN CN(CCCCN1CCOCC1)S(=O)(=O)N1CCCC1 ZINC000823724776 758268011 /nfs/dbraw/zinc/26/80/11/758268011.db2.gz FXRQYOXAMYGNOR-UHFFFAOYSA-N 0 0 305.444 0.371 50 0 DCAARN CCn1cc(S(=O)(=O)NCc2cncn2CCOC)cn1 ZINC000824466125 758774526 /nfs/dbraw/zinc/77/45/26/758774526.db2.gz LKBRCZHBTAKPAG-UHFFFAOYSA-N 0 0 313.383 0.224 50 0 DCAARN O=C(NC[C@H](c1ccccn1)N1CCOCC1)C1CCOCC1 ZINC000827763661 758883040 /nfs/dbraw/zinc/88/30/40/758883040.db2.gz GUUPQNYWRKSWHQ-MRXNPFEDSA-N 0 0 319.405 0.998 50 0 DCAARN CC(C)(O)Cn1nc(CC(N)=O)nc1Cc1ccc(CO)cc1 ZINC000828823340 759111210 /nfs/dbraw/zinc/11/12/10/759111210.db2.gz JWQVWENEKSNILG-UHFFFAOYSA-N 0 0 318.377 0.160 50 0 DCAARN CN(C)C(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@H]1CO ZINC000581814668 760255788 /nfs/dbraw/zinc/25/57/88/760255788.db2.gz NBQJMHCFCALOMC-WCQYABFASA-N 0 0 312.391 0.004 50 0 DCAARN CC(C)[C@H]1C[N@H+](CC(=O)[O-])C[C@@H]1NC(=O)CCCc1cn[nH]c1 ZINC000219560234 766271109 /nfs/dbraw/zinc/27/11/09/766271109.db2.gz CTGVPZUTTKWIQT-KGLIPLIRSA-N 0 0 322.409 0.890 50 0 DCAARN CCCC[C@](C)(CO)NC(=O)[C@@H](CC(=O)OC)NC(C)=O ZINC000585112889 766283046 /nfs/dbraw/zinc/28/30/46/766283046.db2.gz HHCYWLCKANJIAA-BXUZGUMPSA-N 0 0 302.371 0.112 50 0 DCAARN CC(C)C[C@@H](C)OC(=O)N1CCN2CCS(=O)(=O)C[C@@H]2C1 ZINC000585115371 766285106 /nfs/dbraw/zinc/28/51/06/766285106.db2.gz YAAUNZNULMSJEE-OLZOCXBDSA-N 0 0 318.439 0.972 50 0 DCAARN C[C@@H]1CO[C@](NC(=O)COC[C@@H]2CCCO2)(C(F)(F)F)O1 ZINC000585124938 766288247 /nfs/dbraw/zinc/28/82/47/766288247.db2.gz ANHUEPWMJVTWHU-VDDIYKPWSA-N 0 0 313.272 0.950 50 0 DCAARN C[C@@H]1CO[C@@](NC(=O)COC[C@@H]2CCCO2)(C(F)(F)F)O1 ZINC000585124937 766288301 /nfs/dbraw/zinc/28/83/01/766288301.db2.gz ANHUEPWMJVTWHU-PTRXPTGYSA-N 0 0 313.272 0.950 50 0 DCAARN O=C(OC1CCC1)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 ZINC000585135168 766291916 /nfs/dbraw/zinc/29/19/16/766291916.db2.gz CPFIWJIIVFTXQY-CYBMUJFWSA-N 0 0 316.423 0.870 50 0 DCAARN COc1cccc(-c2cn(CCS(=O)(=O)N(C)C)nn2)n1 ZINC000952849738 768911245 /nfs/dbraw/zinc/91/12/45/768911245.db2.gz QMNPVFJTWBKREV-UHFFFAOYSA-N 0 0 311.367 0.240 50 0 DCAARN COCC[C@H](CNC1CS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000952847915 768911591 /nfs/dbraw/zinc/91/15/91/768911591.db2.gz RFUGWVUNYWIJAA-SNVBAGLBSA-N 0 0 322.427 0.303 50 0 DCAARN CCN(c1ccccc1)S(=O)(=O)CCCCS(N)(=O)=O ZINC000952881545 768948025 /nfs/dbraw/zinc/94/80/25/768948025.db2.gz AFZOOKICDDKDPN-UHFFFAOYSA-N 0 0 320.436 0.911 50 0 DCAARN O=C(N[C@@H](CO)CC1OCCO1)c1ccc(-n2cccc2)nc1 ZINC000952884139 768952305 /nfs/dbraw/zinc/95/23/05/768952305.db2.gz ZMKUXHQJCNPECP-CYBMUJFWSA-N 0 0 317.345 0.726 50 0 DCAARN C[C@]1(CO)C[C@H](O)CN1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000864096493 775753956 /nfs/dbraw/zinc/75/39/56/775753956.db2.gz AWVODLIYGPVBKH-XHDPSFHLSA-N 0 0 308.334 0.807 50 0 DCAARN Cc1nccn1CC(=O)N1CCN2[C@@H](COC[C@@H]2C2CC2)C1 ZINC001529091099 1014495262 /nfs/dbraw/zinc/49/52/62/1014495262.db2.gz NUHWALSJLFLLJH-HUUCEWRRSA-N 0 0 304.394 0.513 50 0 DCAARN CCc1noc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1C ZINC001506398761 1017253480 /nfs/dbraw/zinc/25/34/80/1017253480.db2.gz FIAQKKUCGYBION-SNVBAGLBSA-N 0 0 315.395 0.603 50 0 DCAARN Cn1ccnc1-c1ccc(NC[C@@H]2CN(C)C(=O)CO2)nn1 ZINC001506431646 1017272155 /nfs/dbraw/zinc/27/21/55/1017272155.db2.gz TWWAAGQDMOKEJU-SNVBAGLBSA-N 0 0 302.338 0.146 50 0 DCAARN CN1C(=O)N=NC1CCNc1cc(N2CCCCC2)ncn1 ZINC001506399620 1017255905 /nfs/dbraw/zinc/25/59/05/1017255905.db2.gz PCHKXPOYDPNQTJ-UHFFFAOYSA-N 0 0 303.370 0.956 50 0 DCAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2cccnc2)n[nH]1 ZINC000074629694 185004528 /nfs/dbraw/zinc/00/45/28/185004528.db2.gz DFCLVIDIVBWEEG-JTQLQIEISA-N 0 0 306.347 0.389 50 0 DCAARN O=C(NCCCO)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095475091 185373163 /nfs/dbraw/zinc/37/31/63/185373163.db2.gz CMYFPCUOMQFUCO-SNVBAGLBSA-N 0 0 302.334 0.414 50 0 DCAARN COC(=O)CNC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12 ZINC000095478319 185373402 /nfs/dbraw/zinc/37/34/02/185373402.db2.gz GFQHELCPZYOOBV-UHFFFAOYSA-N 0 0 317.345 0.809 50 0 DCAARN CCN(C(=O)Nc1ccc2c(c1)oc(=O)n2C)[C@H]1COC[C@@H]1O ZINC000095498837 185374376 /nfs/dbraw/zinc/37/43/76/185374376.db2.gz HIUAGFVIGIZMPE-RYUDHWBXSA-N 0 0 321.333 0.745 50 0 DCAARN Cc1cccnc1C[C@H](C)NC(=O)c1cc(=O)n(C)c(=O)n1C ZINC000095499309 185374839 /nfs/dbraw/zinc/37/48/39/185374839.db2.gz VXNBPNTUVCTHDU-NSHDSACASA-N 0 0 316.361 0.148 50 0 DCAARN COC(=O)C[C@@H]1C(=O)NCCN1c1nc2c(s1)c(C)nn2C ZINC000095519714 185377262 /nfs/dbraw/zinc/37/72/62/185377262.db2.gz FVCQTAOFQZZHPV-MRVPVSSYSA-N 0 0 323.378 0.206 50 0 DCAARN CO[C@@H]1CCN(C(=O)Cn2c3ccccc3nc(C)c2=O)C1 ZINC000095521822 185377289 /nfs/dbraw/zinc/37/72/89/185377289.db2.gz AYIMCXQMXRHKJQ-GFCCVEGCSA-N 0 0 301.346 0.952 50 0 DCAARN Cc1cc(C)n([C@H]2CCN(C(=O)CN3C(=O)CCNC3=O)C2)n1 ZINC000095527950 185378639 /nfs/dbraw/zinc/37/86/39/185378639.db2.gz MPVOSPHLNJHHGM-LBPRGKRZSA-N 0 0 319.365 0.215 50 0 DCAARN Cc1ccc(O[C@@H]2CCN(C(=O)Cn3ncccc3=O)C2)nn1 ZINC000225427273 201706285 /nfs/dbraw/zinc/70/62/85/201706285.db2.gz CQGMRFQANMFNPK-GFCCVEGCSA-N 0 0 315.333 0.022 50 0 DCAARN C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(CCO)CC1 ZINC000096806835 185388665 /nfs/dbraw/zinc/38/86/65/185388665.db2.gz DOUWVGZLCPQUFT-CQSZACIVSA-N 0 0 303.406 0.574 50 0 DCAARN C[C@H]([C@H](C)S(C)(=O)=O)N(C)CC(=O)N(C)Cc1ccco1 ZINC000079100394 185158399 /nfs/dbraw/zinc/15/83/99/185158399.db2.gz LTRRBBIPDHUVDD-NEPJUHHUSA-N 0 0 316.423 0.991 50 0 DCAARN COC(=O)[C@H](C)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000079112607 185159196 /nfs/dbraw/zinc/15/91/96/185159196.db2.gz XKGDLDNDJLXYQB-SECBINFHSA-N 0 0 314.363 0.732 50 0 DCAARN Cn1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O ZINC000079475598 185173150 /nfs/dbraw/zinc/17/31/50/185173150.db2.gz MMPWLOQOJJWCDX-JTQLQIEISA-N 0 0 320.370 0.455 50 0 DCAARN O=C(Cn1ccc2c(nnc3ccnn32)c1=O)Nc1cccnc1 ZINC000079483727 185173558 /nfs/dbraw/zinc/17/35/58/185173558.db2.gz ATXLTSSFGXWAGC-UHFFFAOYSA-N 0 0 321.300 0.473 50 0 DCAARN CC(=O)[C@H](NC(=O)CN1CCN(c2nccs2)CC1)C(C)C ZINC000096941534 185393211 /nfs/dbraw/zinc/39/32/11/185393211.db2.gz GEUCPHZXSPTURG-CQSZACIVSA-N 0 0 324.450 0.995 50 0 DCAARN O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H](Oc2cccnn2)C1 ZINC000225451357 201711708 /nfs/dbraw/zinc/71/17/08/201711708.db2.gz JYLZBFZLEVLJIR-GFCCVEGCSA-N 0 0 300.318 0.849 50 0 DCAARN CC[C@H]1CN(C(=O)CCn2ccnc2)C[C@H]1N1CCOCC1 ZINC000089948588 185270910 /nfs/dbraw/zinc/27/09/10/185270910.db2.gz AHXRKISDTYXSJJ-LSDHHAIUSA-N 0 0 306.410 0.842 50 0 DCAARN CCC[C@@H](NC(=O)[C@H]1CNC(=O)N1)c1nnc2ccccn21 ZINC000089949789 185271110 /nfs/dbraw/zinc/27/11/10/185271110.db2.gz XJIWMKYUHRZZTD-NXEZZACHSA-N 0 0 302.338 0.368 50 0 DCAARN Cc1cc(NC(=O)COc2ccc(-n3cccn3)nn2)no1 ZINC000090607737 185306512 /nfs/dbraw/zinc/30/65/12/185306512.db2.gz BSNRVNJHNDFEQU-UHFFFAOYSA-N 0 0 300.278 0.976 50 0 DCAARN Cn1nc2c(c1C(=O)N1CC[C@]3(CC(=O)NC3=O)C1)CCCC2 ZINC000082108888 192356904 /nfs/dbraw/zinc/35/69/04/192356904.db2.gz GXHFVCXQJSDDQI-INIZCTEOSA-N 0 0 316.361 0.178 50 0 DCAARN NS(=O)(=O)c1ccc(C(=O)N[C@@H]2COc3ccccc32)o1 ZINC000097000091 185395962 /nfs/dbraw/zinc/39/59/62/185395962.db2.gz LKSMWOYBFWEAHZ-SECBINFHSA-N 0 0 308.315 0.791 50 0 DCAARN Cc1cccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@@H](C)O)C3)c1 ZINC000012346161 190635141 /nfs/dbraw/zinc/63/51/41/190635141.db2.gz ZERPOGBWZUIPNS-YGRLFVJLSA-N 0 0 301.346 0.826 50 0 DCAARN Cc1ccc(-c2noc(C3CCN(CC(N)=O)CC3)n2)nn1 ZINC000082157102 192362697 /nfs/dbraw/zinc/36/26/97/192362697.db2.gz BKYBINIGMVOVRN-UHFFFAOYSA-N 0 0 302.338 0.500 50 0 DCAARN CCc1ncnc(N2CCC[C@@H](CNS(N)(=O)=O)C2)c1F ZINC000301955083 529761790 /nfs/dbraw/zinc/76/17/90/529761790.db2.gz DWGYGRCMYJTMPS-VIFPVBQESA-N 0 0 317.390 0.188 50 0 DCAARN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccnc2)nc1 ZINC000095451866 185369170 /nfs/dbraw/zinc/36/91/70/185369170.db2.gz KSJHMKIFSAIGHW-STQMWFEESA-N 0 0 313.361 0.912 50 0 DCAARN CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(-n2ccnc2)nc1 ZINC000095451868 185369297 /nfs/dbraw/zinc/36/92/97/185369297.db2.gz KSJHMKIFSAIGHW-QWHCGFSZSA-N 0 0 313.361 0.912 50 0 DCAARN Cn1ncc2c1nc(NC[C@H]1COC3(CCCC3)O1)[nH]c2=O ZINC000095459432 185370558 /nfs/dbraw/zinc/37/05/58/185370558.db2.gz PIUQUMJBIQYHRX-VIFPVBQESA-N 0 0 305.338 0.754 50 0 DCAARN COC(=O)c1ccc(C)c(S(=O)(=O)N2CC(=O)N(C)C2)c1 ZINC000095465306 185371806 /nfs/dbraw/zinc/37/18/06/185371806.db2.gz JINBUHIKZSXHHN-UHFFFAOYSA-N 0 0 312.347 0.202 50 0 DCAARN CCc1[nH]c(C(=O)N2CCN(CCO)CC2)c(C)c1C(=O)OC ZINC000097044648 185402328 /nfs/dbraw/zinc/40/23/28/185402328.db2.gz NZTAMCUMASKQFU-UHFFFAOYSA-N 0 0 323.393 0.422 50 0 DCAARN CSc1ncn(-c2nc(N(C)C)nc(N3CCCC3)n2)n1 ZINC000025495621 190650203 /nfs/dbraw/zinc/65/02/03/190650203.db2.gz SUGSCINNBGYTHD-UHFFFAOYSA-N 0 0 306.399 0.840 50 0 DCAARN C[C@H](NC(=O)CCN1CCS(=O)(=O)CC1)c1ccccc1 ZINC000103287432 185444512 /nfs/dbraw/zinc/44/45/12/185444512.db2.gz ZBLXDOVQMQPQOU-ZDUSSCGKSA-N 0 0 310.419 0.984 50 0 DCAARN Cc1cc2cc(CNC(=O)NCCNS(C)(=O)=O)ccc2[nH]1 ZINC000286741150 219140537 /nfs/dbraw/zinc/14/05/37/219140537.db2.gz WDKYRWUTAFCKJW-UHFFFAOYSA-N 0 0 324.406 0.825 50 0 DCAARN C[C@H](NC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C)c1cn[nH]c1 ZINC000286770814 219157403 /nfs/dbraw/zinc/15/74/03/219157403.db2.gz QCUSJWVHNMIKNQ-DYEKYZERSA-N 0 0 307.398 0.975 50 0 DCAARN Cn1ccnc1CN1CCN(Cc2nc(C3CC3)no2)CC1 ZINC000069442884 190802640 /nfs/dbraw/zinc/80/26/40/190802640.db2.gz GYHSDLDQTLMBMI-UHFFFAOYSA-N 0 0 302.382 0.998 50 0 DCAARN Cc1ccc(OCC(=O)N2CCN(C(=O)C3CC3)CC2)cn1 ZINC000069772985 190814986 /nfs/dbraw/zinc/81/49/86/190814986.db2.gz XJUQQOCIHYKDNX-UHFFFAOYSA-N 0 0 303.362 0.850 50 0 DCAARN COCCN1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000069877574 190832575 /nfs/dbraw/zinc/83/25/75/190832575.db2.gz KKRFQMABECPQFE-MRXNPFEDSA-N 0 0 319.449 0.998 50 0 DCAARN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@@H]1CCCCNC1=O ZINC000080578189 192168843 /nfs/dbraw/zinc/16/88/43/192168843.db2.gz HOSWTXKUFXMCTP-QMTHXVAHSA-N 0 0 321.425 0.936 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)Cc3cnn(C)c3)CCO2)[nH]1 ZINC000083829942 192384927 /nfs/dbraw/zinc/38/49/27/192384927.db2.gz TVHNJMLNXYHZIO-LLVKDONJSA-N 0 0 304.354 0.243 50 0 DCAARN Cc1ccc(NC(=O)CN2C[C@@H](C)O[C@H](C(N)=O)C2)cc1C ZINC000084180624 192410786 /nfs/dbraw/zinc/41/07/86/192410786.db2.gz SHUBYNXPEAVHMB-OCCSQVGLSA-N 0 0 305.378 0.817 50 0 DCAARN O=C(CCn1ccc(=O)[nH]c1=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000071721640 191014655 /nfs/dbraw/zinc/01/46/55/191014655.db2.gz PBPGNVVVPUTLTN-MPZDIEGVSA-N 0 0 303.362 0.431 50 0 DCAARN Cc1cc(C2CCC2)nc(N2CCN(S(N)(=O)=O)CC2)n1 ZINC000071760996 191026281 /nfs/dbraw/zinc/02/62/81/191026281.db2.gz ZCBJQXWNBFTOJB-UHFFFAOYSA-N 0 0 311.411 0.378 50 0 DCAARN Cn1ncc(N2CCO[C@@H](CCNC(=O)C3(C)CC3)C2)cc1=O ZINC000072129064 191043847 /nfs/dbraw/zinc/04/38/47/191043847.db2.gz SJMYEODYFLMDSO-ZDUSSCGKSA-N 0 0 320.393 0.292 50 0 DCAARN Cc1ccc(C(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)c(=O)[nH]1 ZINC000072132141 191044862 /nfs/dbraw/zinc/04/48/62/191044862.db2.gz BPSDOFZSNKIPFB-OAHLLOKOSA-N 0 0 305.334 0.740 50 0 DCAARN CCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F ZINC000072135493 191046196 /nfs/dbraw/zinc/04/61/96/191046196.db2.gz QBMUEGRQLMKVOT-LBPRGKRZSA-N 0 0 311.332 0.791 50 0 DCAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)C)c(F)c1 ZINC000072143714 191049800 /nfs/dbraw/zinc/04/98/00/191049800.db2.gz ZXFWOLMZSOVZPP-AWEZNQCLSA-N 0 0 323.368 0.613 50 0 DCAARN O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1cn[nH]n1 ZINC000072147561 191053331 /nfs/dbraw/zinc/05/33/31/191053331.db2.gz MBDNJBJGASHWEN-CYBMUJFWSA-N 0 0 302.338 0.003 50 0 DCAARN Cc1nn2c([n-]1)nc(CN1CC[C@@]3(CN(C)C(=O)O3)C1)cc2=O ZINC000072168371 191066093 /nfs/dbraw/zinc/06/60/93/191066093.db2.gz JZGFOBQVENORNV-CQSZACIVSA-N 0 0 318.337 0.165 50 0 DCAARN CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1 ZINC000072174342 191071295 /nfs/dbraw/zinc/07/12/95/191071295.db2.gz FERGKEOGGAXBIT-ZDUSSCGKSA-N 0 0 305.378 0.440 50 0 DCAARN CCOCCCn1cc2[nH]c(N3CCC(O)CC3)ncc-2c1=O ZINC000072260030 191088916 /nfs/dbraw/zinc/08/89/16/191088916.db2.gz KKWXANCIOCDJQQ-UHFFFAOYSA-N 0 0 320.393 0.820 50 0 DCAARN CCCS(=O)(=O)[C@@H](C)C(=O)N[C@H]1CCc2nc(C)cn2C1 ZINC000072279109 191099622 /nfs/dbraw/zinc/09/96/22/191099622.db2.gz IWGXCURBXBIFGP-RYUDHWBXSA-N 0 0 313.423 0.836 50 0 DCAARN C[C@H](C(=O)N1CCCN(Cc2cnn(C)c2)CC1)n1cccn1 ZINC000072279828 191101537 /nfs/dbraw/zinc/10/15/37/191101537.db2.gz DZRPEZNJGYWHEM-CQSZACIVSA-N 0 0 316.409 0.912 50 0 DCAARN Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2ccccn2)C1 ZINC000225677074 186288808 /nfs/dbraw/zinc/28/88/08/186288808.db2.gz RBUKBVFHGUBPJQ-UHFFFAOYSA-N 0 0 306.347 0.113 50 0 DCAARN COC(=O)[C@H]1CC12CCN(C(=O)[C@]1(C)CCC(=O)NC1)CC2 ZINC000253395508 186305109 /nfs/dbraw/zinc/30/51/09/186305109.db2.gz VWNFXHXBXOZECC-IAQYHMDHSA-N 0 0 308.378 0.704 50 0 DCAARN O=c1n(CCCNS(=O)(=O)CCCF)nc2n1CCCC2 ZINC000072307539 191118126 /nfs/dbraw/zinc/11/81/26/191118126.db2.gz HBWPCLXMSAMDNI-UHFFFAOYSA-N 0 0 320.390 0.050 50 0 DCAARN CC(=O)c1cccc(OC[C@H](O)CN2CCC[C@@H]2C(N)=O)c1 ZINC000072319286 191120752 /nfs/dbraw/zinc/12/07/52/191120752.db2.gz HLMHICIBRRDPTF-UKRRQHHQSA-N 0 0 306.362 0.579 50 0 DCAARN C[N@H+](CCO)C[C@H](CC(=O)Nc1ccc(Cl)nc1)C(=O)[O-] ZINC000072405441 191151652 /nfs/dbraw/zinc/15/16/52/191151652.db2.gz YVPFAXQBXAKVNS-VIFPVBQESA-N 0 0 315.757 0.689 50 0 DCAARN COCC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]cn2)C1 ZINC000072418928 191157669 /nfs/dbraw/zinc/15/76/69/191157669.db2.gz SLLJIULLLCIPDK-GXTWGEPZSA-N 0 0 320.393 0.438 50 0 DCAARN Cc1nc(CC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cs1 ZINC000072428200 191161505 /nfs/dbraw/zinc/16/15/05/191161505.db2.gz JUUOIRPWLMQTIX-ZDUSSCGKSA-N 0 0 323.418 0.844 50 0 DCAARN CCOC(=O)C[C@@H]1CCCCN1C(=O)Cc1cnc(C)[nH]c1=O ZINC000072429635 191163344 /nfs/dbraw/zinc/16/33/44/191163344.db2.gz KVTAJTQYZNCEDT-ZDUSSCGKSA-N 0 0 321.377 0.955 50 0 DCAARN O=C(CCn1cnnn1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000072438384 191167484 /nfs/dbraw/zinc/16/74/84/191167484.db2.gz LAWXOJAXIBTXPS-UHFFFAOYSA-N 0 0 318.356 0.547 50 0 DCAARN CN(C(=O)Cc1cnn(C)c1)c1ccc(N2CCOCC2)nc1 ZINC000331880726 234230836 /nfs/dbraw/zinc/23/08/36/234230836.db2.gz PMBVQFDUFYERMK-UHFFFAOYSA-N 0 0 315.377 0.857 50 0 DCAARN OC[C@@H]1O[C@H](Oc2cccc3ccccc32)[C@@H](O)[C@H](O)[C@H]1O ZINC000001448965 180867387 /nfs/dbraw/zinc/86/73/87/180867387.db2.gz 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/nfs/dbraw/zinc/03/06/34/181030634.db2.gz NSZDSDORZPPFRD-UHFFFAOYSA-N 0 0 315.329 0.765 50 0 DCAARN CNC(=O)NC(=O)COC(=O)c1cc(Cl)ccc1OC ZINC000003497743 181026870 /nfs/dbraw/zinc/02/68/70/181026870.db2.gz QXVMLEBIJOQWOR-UHFFFAOYSA-N 0 0 300.698 0.961 50 0 DCAARN OC[C@@H]1O[C@H](Nc2cccc3ccccc32)[C@H](O)[C@H](O)[C@@H]1O ZINC000003878469 181051744 /nfs/dbraw/zinc/05/17/44/181051744.db2.gz JRKZPBBOEFJXRA-GCSSGZNBSA-N 0 0 305.330 0.052 50 0 DCAARN CCN1CCN(CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)C1=O ZINC000004326376 181098228 /nfs/dbraw/zinc/09/82/28/181098228.db2.gz LYSJLZOCVKWQKC-UHFFFAOYSA-N 0 0 317.345 0.518 50 0 DCAARN CCOc1ccccc1NC(=O)CSc1nncc(=O)n1N ZINC000004338118 181099911 /nfs/dbraw/zinc/09/99/11/181099911.db2.gz KJDQOKLMJGXZHV-UHFFFAOYSA-N 0 0 321.362 0.482 50 0 DCAARN CCn1c(C)c(C)n2c1nc1c2c(=O)n(CCOC)c(=O)n1C ZINC000004314449 181096522 /nfs/dbraw/zinc/09/65/22/181096522.db2.gz WWYYZMWGHVPMFJ-UHFFFAOYSA-N 0 0 319.365 0.433 50 0 DCAARN COc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C1=O ZINC000004379999 181104414 /nfs/dbraw/zinc/10/44/14/181104414.db2.gz BJEVEMRRSNALSU-LMOYCYGVSA-N 0 0 301.298 0.501 50 0 DCAARN CN(C)C(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000004479636 181112922 /nfs/dbraw/zinc/11/29/22/181112922.db2.gz ODXFTHHDMFOCIP-SNVBAGLBSA-N 0 0 305.334 0.834 50 0 DCAARN O=C(c1ccccc1)N1CCN(c2nc3c(nc[nH]c3=O)[nH]2)CC1 ZINC000004565217 181125329 /nfs/dbraw/zinc/12/53/29/181125329.db2.gz NHRFJLSDAUYESK-UHFFFAOYSA-N 0 0 324.344 0.609 50 0 DCAARN CCOC(=O)C1=C2C(=O)N(c3ccccc3)C(=O)[C@]2(C)NN1 ZINC000004719446 181141985 /nfs/dbraw/zinc/14/19/85/181141985.db2.gz WQEXMDGFLAILTH-ZUZCIYMTSA-N 0 0 301.302 0.457 50 0 DCAARN COCc1nnc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)s1 ZINC000004749919 181147752 /nfs/dbraw/zinc/14/77/52/181147752.db2.gz HSBNLSVJHCUXEM-ZETCQYMHSA-N 0 0 305.381 0.448 50 0 DCAARN COC(=O)C1=C[C@]2(CC(=O)N(c3ccc(F)cc3)C2=O)NN1 ZINC000004776545 181150882 /nfs/dbraw/zinc/15/08/82/181150882.db2.gz QKUGOUZJAYXSSK-CQSZACIVSA-N 0 0 305.265 0.350 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)CSc2ccccc2)CC1 ZINC000004805366 181154109 /nfs/dbraw/zinc/15/41/09/181154109.db2.gz YRUFAZBPGNSSLC-UHFFFAOYSA-N 0 0 314.432 0.883 50 0 DCAARN O=C(CN1C(=O)CCC1=O)NC[C@@]1(O)CCc2ccccc21 ZINC000075155649 191433232 /nfs/dbraw/zinc/43/32/32/191433232.db2.gz FACBUEJZLJZINU-INIZCTEOSA-N 0 0 302.330 0.086 50 0 DCAARN Cc1cnc2c(Cl)c(C(=O)N3CCOC[C@H](O)C3)nn2c1 ZINC000077389920 191706956 /nfs/dbraw/zinc/70/69/56/191706956.db2.gz CUFGHUZUBVNTJQ-SECBINFHSA-N 0 0 310.741 0.524 50 0 DCAARN CCCCn1c2nc(COC(=O)C3CC3)n(C)c2c(=O)[nH]c1=O ZINC000005109553 181204159 /nfs/dbraw/zinc/20/41/59/181204159.db2.gz DOZWPDOXUJMRSJ-UHFFFAOYSA-N 0 0 320.349 0.677 50 0 DCAARN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccncc1F ZINC000078083983 191818077 /nfs/dbraw/zinc/81/80/77/191818077.db2.gz AAEBWIQRNRYGKF-JTQLQIEISA-N 0 0 315.370 0.765 50 0 DCAARN CCOc1ccc(NC(=O)C[C@@H]([NH2+]C[C@@H](C)O)C(=O)[O-])cc1 ZINC000005257841 181222933 /nfs/dbraw/zinc/22/29/33/181222933.db2.gz FFFYTLUCYIJLLB-ZWNOBZJWSA-N 0 0 310.350 0.838 50 0 DCAARN Cn1c(=O)cc(CNC(=O)Cc2ccc(F)cc2)n(C)c1=O ZINC000005489399 181249370 /nfs/dbraw/zinc/24/93/70/181249370.db2.gz UKVBOOJAEHCZIF-UHFFFAOYSA-N 0 0 305.309 0.082 50 0 DCAARN COC(=O)CNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000032676167 291087451 /nfs/dbraw/zinc/08/74/51/291087451.db2.gz QVVVLHWYOBITQP-UHFFFAOYSA-N 0 0 322.405 0.998 50 0 DCAARN Cc1cccn2c(=O)cc(Cn3ccnc3S(C)(=O)=O)nc12 ZINC000081272661 192243874 /nfs/dbraw/zinc/24/38/74/192243874.db2.gz BMDBJMUQEKTBJO-UHFFFAOYSA-N 0 0 318.358 0.651 50 0 DCAARN NC(=O)N1CCCN(CCn2cnc3ccccc3c2=O)CC1 ZINC000095430658 283299194 /nfs/dbraw/zinc/29/91/94/283299194.db2.gz KCUPGQBCCVGDDZ-UHFFFAOYSA-N 0 0 315.377 0.483 50 0 DCAARN COC(=O)C[C@H](C(=O)OC)[P@@](=O)([O-])C[NH+]1CCCCC1 ZINC000020220463 291136595 /nfs/dbraw/zinc/13/65/95/291136595.db2.gz NIPWVBSCZQHZRL-SNVBAGLBSA-N 0 0 307.283 0.805 50 0 DCAARN NC(=O)c1ccc(NC(=O)[C@@H]2COCCN2CC2CCC2)cn1 ZINC000185859472 199896747 /nfs/dbraw/zinc/89/67/47/199896747.db2.gz YYMNGMNISHZFCL-AWEZNQCLSA-N 0 0 318.377 0.620 50 0 DCAARN CCS(=O)(=O)N(C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000089272419 192755108 /nfs/dbraw/zinc/75/51/08/192755108.db2.gz VNJVJVOXIIGFNC-UHFFFAOYSA-N 0 0 316.379 0.924 50 0 DCAARN O=S(=O)(N1CCOCC1)N1CCC[C@H](c2cn[nH]c2)C1 ZINC000089764506 192862118 /nfs/dbraw/zinc/86/21/18/192862118.db2.gz FEQROKBVVQCOID-NSHDSACASA-N 0 0 300.384 0.166 50 0 DCAARN C[C@@H]1C(=O)NCCN1S(=O)(=O)N1CCC[C@H]1c1ccco1 ZINC000242292576 202473119 /nfs/dbraw/zinc/47/31/19/202473119.db2.gz YNJFTEREKVHYTM-MNOVXSKESA-N 0 0 313.379 0.482 50 0 DCAARN CCCC[C@H]1C(=O)N(C)CCN1CC(=O)Nc1ccn(C)n1 ZINC000244574769 202482413 /nfs/dbraw/zinc/48/24/13/202482413.db2.gz CRBSAJKLGHCYHQ-LBPRGKRZSA-N 0 0 307.398 0.691 50 0 DCAARN Cc1cccc([C@@H]2C[C@H]2[C@H](C)NC(=O)NC(C(N)=O)C(N)=O)c1 ZINC000240465892 238158304 /nfs/dbraw/zinc/15/83/04/238158304.db2.gz GBEBFFXJHBVCIL-DLOVCJGASA-N 0 0 318.377 0.125 50 0 DCAARN C[C@H]1CCCN(CCNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000239882103 238158453 /nfs/dbraw/zinc/15/84/53/238158453.db2.gz DAGPKPPAOKQKHL-STQMWFEESA-N 0 0 317.455 0.547 50 0 DCAARN Cn1cc([C@@H](NC(=O)C(=O)c2ccco2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244707894 202489888 /nfs/dbraw/zinc/48/98/88/202489888.db2.gz KJPHAILTLFISKJ-NDMJEZRESA-N 0 0 303.318 0.824 50 0 DCAARN CNc1cc([C@H]2C[C@@H](NC(=O)CCN3CCOCC3)C2)ncn1 ZINC000244873518 202505713 /nfs/dbraw/zinc/50/57/13/202505713.db2.gz WRLLDMAZKKNWID-BETUJISGSA-N 0 0 319.409 0.603 50 0 DCAARN CNS(=O)(=O)c1ccc(NC(=O)c2cnc(C)cn2)cc1 ZINC000006626513 181362392 /nfs/dbraw/zinc/36/23/92/181362392.db2.gz DBQOVWRBLKKEIF-UHFFFAOYSA-N 0 0 306.347 0.945 50 0 DCAARN CCN(CC)C(=O)CN1CCC(NC(=O)C2CC(=O)C2)CC1 ZINC000566614670 291314845 /nfs/dbraw/zinc/31/48/45/291314845.db2.gz CWJSTSNRPMMRGC-UHFFFAOYSA-N 0 0 309.410 0.415 50 0 DCAARN COC(=O)[C@@H]1CCCCN1C(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000050607340 291319305 /nfs/dbraw/zinc/31/93/05/291319305.db2.gz SXEUBIDBOJOIIA-JQWIXIFHSA-N 0 0 308.334 0.952 50 0 DCAARN CNC(=O)c1cc(S(=O)(=O)NCc2cccnc2)cs1 ZINC000006681570 181370172 /nfs/dbraw/zinc/37/01/72/181370172.db2.gz GPVCKSCOGAXVGE-UHFFFAOYSA-N 0 0 311.388 0.981 50 0 DCAARN CCOc1ccc(S(=O)(=O)N(CC)CC(N)=O)cc1C ZINC000006697159 181371754 /nfs/dbraw/zinc/37/17/54/181371754.db2.gz BHHUDDJKAILNHR-UHFFFAOYSA-N 0 0 300.380 0.890 50 0 DCAARN O=C(CN1CCN(CCO)CC1)Nc1nc2c(s1)CCC2 ZINC000069772178 283828340 /nfs/dbraw/zinc/82/83/40/283828340.db2.gz NNNJFDHHAJXPTG-UHFFFAOYSA-N 0 0 310.423 0.180 50 0 DCAARN CCCCS(=O)(=O)N1CCC[C@H](C(=O)NCCOC)C1 ZINC000006747265 181381737 /nfs/dbraw/zinc/38/17/37/181381737.db2.gz XROSKIXEGRHLJN-LBPRGKRZSA-N 0 0 306.428 0.591 50 0 DCAARN C[C@H](c1cncs1)N(C)C(=O)CN1CCC(C(N)=O)CC1 ZINC000091304623 193036347 /nfs/dbraw/zinc/03/63/47/193036347.db2.gz PEYPIGIPTUUKRY-SNVBAGLBSA-N 0 0 310.423 0.860 50 0 DCAARN Cc1ccc2nc(CNC(=O)CCc3[nH]c(O)nc3O)[nH]c2c1 ZINC000091321491 193040352 /nfs/dbraw/zinc/04/03/52/193040352.db2.gz OVFFRXBWJADJBF-SNVBAGLBSA-N 0 0 315.333 0.476 50 0 DCAARN Cc1noc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)n1 ZINC000091411416 193052578 /nfs/dbraw/zinc/05/25/78/193052578.db2.gz PDANSOWSRGMAJH-UHFFFAOYSA-N 0 0 308.382 0.575 50 0 DCAARN O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC[C@](CO)(CC2CC2)C1 ZINC000091550531 193072827 /nfs/dbraw/zinc/07/28/27/193072827.db2.gz FUKGQVHICVNRBA-INIZCTEOSA-N 0 0 321.377 0.007 50 0 DCAARN O=C(CN1C(=O)CNC1=O)N1CCCC[C@H]1c1nccs1 ZINC000091575114 193074241 /nfs/dbraw/zinc/07/42/41/193074241.db2.gz VZTADOYKWGGLBV-VIFPVBQESA-N 0 0 308.363 0.749 50 0 DCAARN CC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)C[C@H](O)C1 ZINC000091585541 193075618 /nfs/dbraw/zinc/07/56/18/193075618.db2.gz FORBRAOTMRJGDV-AWEZNQCLSA-N 0 0 306.362 0.483 50 0 DCAARN Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(CC(=O)N(C)C)C3)no1 ZINC000091604384 193078761 /nfs/dbraw/zinc/07/87/61/193078761.db2.gz LQMNIASHCALACU-QWHCGFSZSA-N 0 0 320.393 0.608 50 0 DCAARN O=C([O-])[C@@H]1CC2(C[NH2+]1)CCN(C(=O)CCCn1ccnc1)CC2 ZINC000091476402 193062654 /nfs/dbraw/zinc/06/26/54/193062654.db2.gz DLHXLHDPJHVOLH-ZDUSSCGKSA-N 0 0 320.393 0.719 50 0 DCAARN CC[C@@H](C(=O)NCc1nc(-c2ncccn2)no1)n1cccn1 ZINC000091493125 193064666 /nfs/dbraw/zinc/06/46/66/193064666.db2.gz RJZRJNMQRNHAQC-JTQLQIEISA-N 0 0 313.321 0.991 50 0 DCAARN O=C(c1ccc(N2CC(=O)NC2=O)cc1)N1CC=C[C@H]1CO ZINC000091644956 193083500 /nfs/dbraw/zinc/08/35/00/193083500.db2.gz INOGRMDAIUOIJQ-LBPRGKRZSA-N 0 0 301.302 0.116 50 0 DCAARN O=C(c1ccc(N2CC(=O)NC2=O)cc1)N1CC=C[C@@H]1CO ZINC000091644955 193083851 /nfs/dbraw/zinc/08/38/51/193083851.db2.gz INOGRMDAIUOIJQ-GFCCVEGCSA-N 0 0 301.302 0.116 50 0 DCAARN COC[C@@H](NC(=O)c1c(C)cc(C)[nH]c1=O)c1ccnn1C ZINC000091746444 193101011 /nfs/dbraw/zinc/10/10/11/193101011.db2.gz CDIOABVPKLGQJL-LLVKDONJSA-N 0 0 304.350 0.843 50 0 DCAARN O=C(NC1CCOCC1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000091830627 193114474 /nfs/dbraw/zinc/11/44/74/193114474.db2.gz VCZXYKAMYYXVCF-LBPRGKRZSA-N 0 0 303.362 0.725 50 0 DCAARN CS(=O)(=O)NCc1cc2n(n1)CCCN(Cc1ccoc1)C2 ZINC000091997261 193138060 /nfs/dbraw/zinc/13/80/60/193138060.db2.gz FMSTXGPEGXKQHK-UHFFFAOYSA-N 0 0 324.406 0.931 50 0 DCAARN O=C(COc1cccc(F)c1)N1CCC2(CC1)[C@H](O)C[C@@H]2O ZINC000092003136 193139702 /nfs/dbraw/zinc/13/97/02/193139702.db2.gz UXWZINYRNCANBW-OKILXGFUSA-N 0 0 309.337 0.939 50 0 DCAARN Cc1noc(C)c1C(=O)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 ZINC000092061535 193148889 /nfs/dbraw/zinc/14/88/89/193148889.db2.gz CJOZUORKUOBVQW-ZIAGYGMSSA-N 0 0 323.393 0.304 50 0 DCAARN CN(CC(=O)NC[C@H]1CCS(=O)(=O)C1)Cc1ccncc1 ZINC000215910708 201474786 /nfs/dbraw/zinc/47/47/86/201474786.db2.gz BGFGUQDQECPXEJ-CYBMUJFWSA-N 0 0 311.407 0.064 50 0 DCAARN CCN1C[C@H](C(=O)N2CCC(O)(c3cccnc3)CC2)CC1=O ZINC000092081050 193155392 /nfs/dbraw/zinc/15/53/92/193155392.db2.gz ZKGXCSSOHOOSAS-CYBMUJFWSA-N 0 0 317.389 0.760 50 0 DCAARN O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1ccnnc1 ZINC000219635434 201560179 /nfs/dbraw/zinc/56/01/79/201560179.db2.gz LDBYDWMTQVIIPS-CHWSQXEVSA-N 0 0 300.318 0.838 50 0 DCAARN O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1cn[nH]c1 ZINC000219753954 201561375 /nfs/dbraw/zinc/56/13/75/201561375.db2.gz VPOJFBVTFSQMDE-ZIAGYGMSSA-N 0 0 302.334 0.909 50 0 DCAARN Cc1cc(CN(C)C(=O)[C@@H]2CCCN2S(C)(=O)=O)on1 ZINC000221160912 201581027 /nfs/dbraw/zinc/58/10/27/201581027.db2.gz LDIGHTNVORYXMP-NSHDSACASA-N 0 0 301.368 0.365 50 0 DCAARN O=C(CCn1ccc(=O)[nH]c1=O)N[C@H]1COC2(C1)CCCCC2 ZINC000221219863 201583930 /nfs/dbraw/zinc/58/39/30/201583930.db2.gz VTOVBVQLODEUQU-GFCCVEGCSA-N 0 0 321.377 0.535 50 0 DCAARN O=C(Cn1ccccc1=O)N[C@@H]1COCC[C@@H]1OCC1CC1 ZINC000222308340 201608448 /nfs/dbraw/zinc/60/84/48/201608448.db2.gz XFVLHWQWYWLLCS-KGLIPLIRSA-N 0 0 306.362 0.549 50 0 DCAARN COC(=O)[C@]1(C)CN(C(=O)N[C@@H]2CC[S@@](=O)C2)C[C@H]1C ZINC000252488102 202845226 /nfs/dbraw/zinc/84/52/26/202845226.db2.gz IJMNFZZCBJMWCF-MNVUJTFXSA-N 0 0 302.396 0.348 50 0 DCAARN Cn1cc(S(=O)(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)cn1 ZINC000253473683 202891982 /nfs/dbraw/zinc/89/19/82/202891982.db2.gz XCGZEZBVUKOUKH-YUSALJHKSA-N 0 0 301.368 0.035 50 0 DCAARN O=C([C@@H]1CCC(=O)N1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000096456095 193656289 /nfs/dbraw/zinc/65/62/89/193656289.db2.gz WAGXYOVPYXNEBF-LBPRGKRZSA-N 0 0 309.316 0.892 50 0 DCAARN COCCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000009151542 181604146 /nfs/dbraw/zinc/60/41/46/181604146.db2.gz NDTYQDRSXBMLGZ-SNVBAGLBSA-N 0 0 312.391 0.909 50 0 DCAARN CCS(=O)(=O)N1CCC(CCC(=O)NCCOC)CC1 ZINC000011842800 181710234 /nfs/dbraw/zinc/71/02/34/181710234.db2.gz QBNFEBLEMMWSHS-UHFFFAOYSA-N 0 0 306.428 0.591 50 0 DCAARN O=C(CSc1nnnn1C[C@H]1CCCO1)N1CCCC1=O ZINC000012796237 181799584 /nfs/dbraw/zinc/79/95/84/181799584.db2.gz UFEZKMXMKKJUGQ-SECBINFHSA-N 0 0 311.367 0.093 50 0 DCAARN CCn1nnc2c1ncn(Cc1ccc(C(=O)OC)o1)c2=O ZINC000013531621 181858626 /nfs/dbraw/zinc/85/86/26/181858626.db2.gz FXZRPGAKRGGNKN-UHFFFAOYSA-N 0 0 303.278 0.436 50 0 DCAARN C[C@@]1(C2CC2)NC(=O)N(Cc2nnnn2-c2ccccc2)C1=O ZINC000014164182 181931875 /nfs/dbraw/zinc/93/18/75/181931875.db2.gz HBOXLCHKHMFEGF-HNNXBMFYSA-N 0 0 312.333 0.883 50 0 DCAARN COc1cc([C@H]2ON=C(C(N)=O)[C@@H]2C)c(OC)c2c1OCO2 ZINC000015081602 181988009 /nfs/dbraw/zinc/98/80/09/181988009.db2.gz GQCSZFIIOQVORT-WKEGUHRASA-N 0 0 308.290 0.981 50 0 DCAARN CC(C)C[C@@H]([NH3+])C(=O)N1CCC(C(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000016043308 182030523 /nfs/dbraw/zinc/03/05/23/182030523.db2.gz HOFBKIOPHRQWQM-ZYHUDNBSSA-N 0 0 313.398 0.188 50 0 DCAARN CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000016649279 182055942 /nfs/dbraw/zinc/05/59/42/182055942.db2.gz XDXQBSRBRAABEG-UHFFFAOYSA-N 0 0 302.327 0.206 50 0 DCAARN CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000016661499 182056457 /nfs/dbraw/zinc/05/64/57/182056457.db2.gz MMOJETPBBLZXDN-UHFFFAOYSA-N 0 0 314.363 0.076 50 0 DCAARN COC(=O)c1ccc2c(c1)ncn(CC(=O)NC1CC1)c2=O ZINC000016661418 182056752 /nfs/dbraw/zinc/05/67/52/182056752.db2.gz AFMICDFUZJBNHZ-UHFFFAOYSA-N 0 0 301.302 0.462 50 0 DCAARN C[C@H](Sc1ccccn1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000018241214 182100299 /nfs/dbraw/zinc/10/02/99/182100299.db2.gz SKDPCIBYDOHSNC-QMMMGPOBSA-N 0 0 320.374 0.425 50 0 DCAARN CN1C(=O)[C@@H]2CN(CCc3ccccc3)CN[C@@H]2N(C)C1=O ZINC000019324467 182116247 /nfs/dbraw/zinc/11/62/47/182116247.db2.gz ZBNKICCIUZBYMP-ZIAGYGMSSA-N 0 0 302.378 0.558 50 0 DCAARN COc1ccc(OCC(=O)NCCCN2CCOCC2)cc1 ZINC000019759057 182144243 /nfs/dbraw/zinc/14/42/43/182144243.db2.gz BIYHJYHLGNXUMG-UHFFFAOYSA-N 0 0 308.378 0.913 50 0 DCAARN O[C@H](COC[C@@H]1COc2ccccc2O1)CN1CCOCC1 ZINC000019770747 182145182 /nfs/dbraw/zinc/14/51/82/182145182.db2.gz RPEZPIZPVMBCDB-UONOGXRCSA-N 0 0 309.362 0.536 50 0 DCAARN CN(C)c1cnn(CC(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c(=O)c1 ZINC000019800142 182151928 /nfs/dbraw/zinc/15/19/28/182151928.db2.gz SSOXOOBKDWKGOS-AGIUHOORSA-N 0 0 302.378 0.638 50 0 DCAARN CN1CCN(C(=S)SCC(=O)Nc2nc[nH]n2)CC1 ZINC000019850366 182157661 /nfs/dbraw/zinc/15/76/61/182157661.db2.gz HDGZIZGAQBSDEE-UHFFFAOYSA-N 0 0 300.413 0.009 50 0 DCAARN CCOC(=O)C1CCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CC1 ZINC000019937472 182167006 /nfs/dbraw/zinc/16/70/06/182167006.db2.gz ITNVISSVPLXTQV-UHFFFAOYSA-N 0 0 321.377 0.731 50 0 DCAARN [NH3+]Cc1ccc(-c2nc([C@@H]3CCOC3)nn2CC(=O)[O-])cc1 ZINC000097655425 193743531 /nfs/dbraw/zinc/74/35/31/193743531.db2.gz ZXQSGHVGQLDLAJ-GFCCVEGCSA-N 0 0 302.334 0.992 50 0 DCAARN O=C(NCc1cn2c(n1)SCC2)c1cn2cccnc2n1 ZINC000097654211 193743646 /nfs/dbraw/zinc/74/36/46/193743646.db2.gz MUXJQAINCPIDGJ-UHFFFAOYSA-N 0 0 300.347 0.962 50 0 DCAARN CC[C@H](C)[C@H](NC(=O)NCCCN1CCOCC1)C(=O)OC ZINC000020357794 182211158 /nfs/dbraw/zinc/21/11/58/182211158.db2.gz CTWCFLTWOSPUGK-STQMWFEESA-N 0 0 315.414 0.596 50 0 DCAARN CN1C[C@H](C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1=O ZINC000097682597 193747324 /nfs/dbraw/zinc/74/73/24/193747324.db2.gz ABCFIBIHKLUIOV-SECBINFHSA-N 0 0 303.297 0.823 50 0 DCAARN CCOC(=O)NC(=O)C(=CNCc1ccncc1)C(=O)OCC ZINC000020443354 182217788 /nfs/dbraw/zinc/21/77/88/182217788.db2.gz QPIQGJYRNNMKIB-BENRWUELSA-N 0 0 321.333 0.891 50 0 DCAARN COCCN(Cc1cccnc1)C(=O)[C@H]1CCC(=O)NC(=O)N1 ZINC000097694677 193748159 /nfs/dbraw/zinc/74/81/59/193748159.db2.gz MIQZOLYYUPJUFF-GFCCVEGCSA-N 0 0 320.349 0.045 50 0 DCAARN CC[C@H](C)N1CNc2c(c(=O)[nH]c(=O)n2Cc2cccnc2)C1 ZINC000020573680 182234267 /nfs/dbraw/zinc/23/42/67/182234267.db2.gz RDVXPWICKWCMGC-NSHDSACASA-N 0 0 315.377 0.963 50 0 DCAARN CC(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000020745382 182245765 /nfs/dbraw/zinc/24/57/65/182245765.db2.gz HRFYUUTUFQEKGE-LLVKDONJSA-N 0 0 323.780 0.945 50 0 DCAARN COC(=O)CNC(=O)N1CCc2[nH]cnc2[C@H]1c1cccnc1 ZINC000020762250 182246653 /nfs/dbraw/zinc/24/66/53/182246653.db2.gz KEQVSWXJJLGNEV-CQSZACIVSA-N 0 0 315.333 0.635 50 0 biogenic DCAARN CCCN1C[C@H](NC(=O)[C@H]2COc3ccccc3O2)CC1=O ZINC000020996165 182258122 /nfs/dbraw/zinc/25/81/22/182258122.db2.gz UVWMZPAZONTGRL-BXUZGUMPSA-N 0 0 304.346 0.954 50 0 DCAARN CCc1ccc(N2C[C@@H](C(=O)NCC(=O)OC)CC2=O)cc1 ZINC000021449720 182273828 /nfs/dbraw/zinc/27/38/28/182273828.db2.gz DOQICXRHQVZUMJ-LBPRGKRZSA-N 0 0 304.346 0.891 50 0 DCAARN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000021146490 182266624 /nfs/dbraw/zinc/26/66/24/182266624.db2.gz LYBWYIVGXFCSMM-LLVKDONJSA-N 0 0 315.395 0.611 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc(N(C)C)nc1 ZINC000022421302 182321696 /nfs/dbraw/zinc/32/16/96/182321696.db2.gz VXISZCLOSTWJFQ-UHFFFAOYSA-N 0 0 317.349 0.404 50 0 DCAARN CC(C)C[C@@H](CNC(=O)c1ccc[n+]([O-])c1)N1CCOCC1 ZINC000022970147 182344155 /nfs/dbraw/zinc/34/41/55/182344155.db2.gz CPDIWUCIHQGDKB-HNNXBMFYSA-N 0 0 307.394 0.797 50 0 DCAARN COCCn1nc(C(=O)NCCc2csc(C)n2)ccc1=O ZINC000022761687 182332937 /nfs/dbraw/zinc/33/29/37/182332937.db2.gz RUVPXKLOTVDTQV-UHFFFAOYSA-N 0 0 322.390 0.627 50 0 DCAARN O=C(C1CC1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000023134150 182350008 /nfs/dbraw/zinc/35/00/08/182350008.db2.gz AXBUAGZDNSJPNJ-UHFFFAOYSA-N 0 0 312.377 0.717 50 0 DCAARN COC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024546454 182383222 /nfs/dbraw/zinc/38/32/22/182383222.db2.gz IWEJHZMYLMYLHD-MNOVXSKESA-N 0 0 320.345 0.919 50 0 DCAARN CN(C[C@H]1COc2ccccc2O1)C(=O)c1nccnc1N ZINC000024662115 182386515 /nfs/dbraw/zinc/38/65/15/182386515.db2.gz TXMUYNVOLVDANK-JTQLQIEISA-N 0 0 300.318 0.971 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)NC[C@H](C)N1CCOCC1 ZINC000024682554 182387140 /nfs/dbraw/zinc/38/71/40/182387140.db2.gz LRYGVMXWCQSXGI-VIFPVBQESA-N 0 0 303.384 0.290 50 0 DCAARN Cc1cnc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cn1 ZINC000024689645 182387509 /nfs/dbraw/zinc/38/75/09/182387509.db2.gz VRTXCFIOSFDIRZ-LLVKDONJSA-N 0 0 312.395 0.329 50 0 DCAARN CCN(CC)C(=O)CN(C#N)c1nc(SC)nc(N(C)C)n1 ZINC000026803345 182453403 /nfs/dbraw/zinc/45/34/03/182453403.db2.gz CBMRAVKEQREYCC-UHFFFAOYSA-N 0 0 323.426 0.815 50 0 DCAARN CNS(=O)(=O)c1cccc(CNC(=O)c2cnn(C)c2C)c1 ZINC000027306479 182467751 /nfs/dbraw/zinc/46/77/51/182467751.db2.gz OQUFWNLKXOZTNK-UHFFFAOYSA-N 0 0 322.390 0.567 50 0 DCAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1ccccn1 ZINC000027652637 182485821 /nfs/dbraw/zinc/48/58/21/182485821.db2.gz YQXPQWMEUWJXCW-UHFFFAOYSA-N 0 0 316.342 0.759 50 0 DCAARN C[C@@]1(NC(=O)c2n[nH]c(=O)c3ccccc32)CCS(=O)(=O)C1 ZINC000030031300 182584197 /nfs/dbraw/zinc/58/41/97/182584197.db2.gz YAXOUCQRXXMWCF-CQSZACIVSA-N 0 0 321.358 0.230 50 0 DCAARN Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CCCO2)cc1 ZINC000030777145 182598124 /nfs/dbraw/zinc/59/81/24/182598124.db2.gz PSQJIEGZPYTSOE-ZDUSSCGKSA-N 0 0 312.391 0.569 50 0 DCAARN CCCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000032738229 182657960 /nfs/dbraw/zinc/65/79/60/182657960.db2.gz BBBMNYFNMLOOOJ-VIFPVBQESA-N 0 0 317.345 0.557 50 0 DCAARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCc1ccncc1 ZINC000038679991 183006234 /nfs/dbraw/zinc/00/62/34/183006234.db2.gz JAMMWYDQJAABNR-UHFFFAOYSA-N 0 0 324.340 0.444 50 0 DCAARN COCCNC(=O)C[C@H]1CSc2nc3c(c(=O)n21)CCC3 ZINC000038756164 183009447 /nfs/dbraw/zinc/00/94/47/183009447.db2.gz XMEKNGGAXZTXFX-VIFPVBQESA-N 0 0 309.391 0.532 50 0 DCAARN COC(=O)c1ccsc1NC(=O)CN(C)S(C)(=O)=O ZINC000038828491 183010233 /nfs/dbraw/zinc/01/02/33/183010233.db2.gz BIXXSECJMUWFAY-UHFFFAOYSA-N 0 0 306.365 0.365 50 0 DCAARN O=C(CN1CCCC1=O)N1CCN(Cc2ccccc2)CC1 ZINC000039385555 183017087 /nfs/dbraw/zinc/01/70/87/183017087.db2.gz CQMUYWLKEOHLBQ-UHFFFAOYSA-N 0 0 301.390 0.953 50 0 DCAARN COCCCNC(=O)C(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000040284484 183050746 /nfs/dbraw/zinc/05/07/46/183050746.db2.gz XFTFVPHQDJOPDV-UHFFFAOYSA-N 0 0 318.337 0.062 50 0 DCAARN CC(=O)N1CCc2cc(C(=O)NCCN3CCOCC3)ccc21 ZINC000040475697 183073880 /nfs/dbraw/zinc/07/38/80/183073880.db2.gz PWQVMVAKRNVOAA-UHFFFAOYSA-N 0 0 317.389 0.658 50 0 DCAARN O=C(NCc1nnc2n1CCC2)[C@H]1COc2ccccc2O1 ZINC000040481208 183076874 /nfs/dbraw/zinc/07/68/74/183076874.db2.gz ICWHUFUQZMQCKH-GFCCVEGCSA-N 0 0 300.318 0.681 50 0 DCAARN CCN(CC)S(=O)(=O)NCc1ccnc(-n2cccn2)c1 ZINC000040511358 183087390 /nfs/dbraw/zinc/08/73/90/183087390.db2.gz JBIFYXDUYGDVPH-UHFFFAOYSA-N 0 0 309.395 0.944 50 0 DCAARN CN1N=C(C(=O)NCc2cccnc2-n2cccn2)CCC1=O ZINC000040514135 183088515 /nfs/dbraw/zinc/08/85/15/183088515.db2.gz DKZJDHQNNURHPK-UHFFFAOYSA-N 0 0 312.333 0.492 50 0 DCAARN COc1cccc(COCC(=O)N(C)CC(=O)NC2CC2)c1 ZINC000040533839 183094697 /nfs/dbraw/zinc/09/46/97/183094697.db2.gz LMEHGRZHNUWTFX-UHFFFAOYSA-N 0 0 306.362 0.949 50 0 DCAARN C[C@H](C(=O)N1CCN(Cc2ccccn2)CC1)S(C)(=O)=O ZINC000040540256 183096933 /nfs/dbraw/zinc/09/69/33/183096933.db2.gz XCPLZKWVBBYKEJ-GFCCVEGCSA-N 0 0 311.407 0.159 50 0 DCAARN O=C(NCc1cccs1)c1[nH]nc2c1CS(=O)(=O)CC2 ZINC000041120923 183167691 /nfs/dbraw/zinc/16/76/91/183167691.db2.gz HMAMOGKKXMCAPO-UHFFFAOYSA-N 0 0 311.388 0.872 50 0 DCAARN CCn1c2ccccc2n(CC(=O)NC[C@H]2CCOC2)c1=O ZINC000041370805 183187359 /nfs/dbraw/zinc/18/73/59/183187359.db2.gz WLCNHHRMKPQRIJ-GFCCVEGCSA-N 0 0 303.362 0.976 50 0 DCAARN C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1CCCO1 ZINC000041375227 183187828 /nfs/dbraw/zinc/18/78/28/183187828.db2.gz OKZJDZDJIDLRKA-QWRGUYRKSA-N 0 0 307.416 0.135 50 0 DCAARN O=C(NCCCn1cncn1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000041862549 183222646 /nfs/dbraw/zinc/22/26/46/183222646.db2.gz ABLPIFZIKJUFQD-ZDUSSCGKSA-N 0 0 300.318 0.566 50 0 DCAARN CC(C)CO[C@@H](C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000042404209 183263988 /nfs/dbraw/zinc/26/39/88/183263988.db2.gz BSQXOWRIGYRNME-NSHDSACASA-N 0 0 306.428 0.588 50 0 DCAARN C[C@H](Cn1ccnc1)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000042535926 183282147 /nfs/dbraw/zinc/28/21/47/183282147.db2.gz UCIFARJPQYZYRW-LLVKDONJSA-N 0 0 314.411 0.059 50 0 DCAARN COc1cc(CNC(=O)c2cccnc2-n2cncn2)ccn1 ZINC000042655592 183294938 /nfs/dbraw/zinc/29/49/38/183294938.db2.gz ATACHIHRADBVPG-UHFFFAOYSA-N 0 0 310.317 0.996 50 0 DCAARN O=C(NCCNc1ncccn1)NC[C@@H](O)c1ccccc1 ZINC000043049697 183333183 /nfs/dbraw/zinc/33/31/83/183333183.db2.gz CVIIBNDDYRRNQW-CYBMUJFWSA-N 0 0 301.350 0.921 50 0 DCAARN COc1ccc([C@H](O)CNC(=O)NCCn2ccnc2)cc1 ZINC000043311129 183354244 /nfs/dbraw/zinc/35/42/44/183354244.db2.gz IWKHNGIPVYJRPF-CQSZACIVSA-N 0 0 304.350 0.925 50 0 DCAARN Cc1cccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000043647779 183377737 /nfs/dbraw/zinc/37/77/37/183377737.db2.gz JVNPYEIFEWPVAB-ZDUSSCGKSA-N 0 0 323.418 0.335 50 0 DCAARN CCOC(=O)CCC(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000043979533 183391343 /nfs/dbraw/zinc/39/13/43/183391343.db2.gz LBHAWWCHUHPZQC-UHFFFAOYSA-N 0 0 320.411 0.118 50 0 DCAARN Cc1nnsc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000043979523 183391421 /nfs/dbraw/zinc/39/14/21/183391421.db2.gz LTOOYUJXHWAESY-UHFFFAOYSA-N 0 0 318.424 0.248 50 0 DCAARN O=C([O-])c1n[nH]cc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000071419492 304216538 /nfs/dbraw/zinc/21/65/38/304216538.db2.gz QGVNAWZESZAVIL-LLVKDONJSA-N 0 0 306.366 0.942 50 0 DCAARN CCC(C)(C)NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000047666055 183600664 /nfs/dbraw/zinc/60/06/64/183600664.db2.gz PHHCXCFRFBKONN-MNOVXSKESA-N 0 0 316.423 0.327 50 0 DCAARN NC(=O)C1(CNC(=O)CCCNc2ncccn2)CCOCC1 ZINC000052744818 183869743 /nfs/dbraw/zinc/86/97/43/183869743.db2.gz JNCCLICPYWLQLB-UHFFFAOYSA-N 0 0 321.381 0.067 50 0 DCAARN C[C@H]1CN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)CCO1 ZINC000054214933 183929494 /nfs/dbraw/zinc/92/94/94/183929494.db2.gz KQQLWWXZSLOTLZ-NTYUQYKDSA-N 0 0 304.346 0.811 50 0 DCAARN CCCS(=O)(=O)CC(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000055189748 183969996 /nfs/dbraw/zinc/96/99/96/183969996.db2.gz KEPGQNMQTXLIOF-GFCCVEGCSA-N 0 0 312.391 0.693 50 0 DCAARN CNC(=O)CCNS(=O)(=O)c1cccc2cc(C)cnc21 ZINC000055267065 183974734 /nfs/dbraw/zinc/97/47/34/183974734.db2.gz IVKSLGRWUKMFSB-UHFFFAOYSA-N 0 0 307.375 0.958 50 0 DCAARN CCCS(=O)(=O)N1CCN(C(=O)Nc2ccncc2)CC1 ZINC000056499661 184013855 /nfs/dbraw/zinc/01/38/55/184013855.db2.gz IRLCMTZMBPEAHY-UHFFFAOYSA-N 0 0 312.395 0.971 50 0 DCAARN Cc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)NCC(C)C ZINC000056999879 184024145 /nfs/dbraw/zinc/02/41/45/184024145.db2.gz YUWZPKAGIZNTMJ-UHFFFAOYSA-N 0 0 321.425 0.351 50 0 DCAARN Cc1cc2nc(SCC(=O)N3CCOCC3)[nH]c(=O)c2[nH]1 ZINC000057522184 184040723 /nfs/dbraw/zinc/04/07/23/184040723.db2.gz MBUZLHIPZHSQBM-UHFFFAOYSA-N 0 0 308.363 0.511 50 0 DCAARN CCOC(=O)CN(CC(=O)N1CCNC1=O)Cc1ccccc1 ZINC000058178489 184084871 /nfs/dbraw/zinc/08/48/71/184084871.db2.gz MQAHFUKCAZTSAC-UHFFFAOYSA-N 0 0 319.361 0.604 50 0 DCAARN CCCc1noc([C@H](C)N2CCN(CC(=O)N(C)C)CC2)n1 ZINC000058218865 184089828 /nfs/dbraw/zinc/08/98/28/184089828.db2.gz UZOUUVPMFVBNLU-LBPRGKRZSA-N 0 0 309.414 0.789 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000058358187 184108776 /nfs/dbraw/zinc/10/87/76/184108776.db2.gz RRSXRXKYYOYKHD-GFCCVEGCSA-N 0 0 323.374 0.666 50 0 DCAARN COCC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000058249164 184095051 /nfs/dbraw/zinc/09/50/51/184095051.db2.gz JWXOXOZTGGKCPK-NSHDSACASA-N 0 0 315.395 0.243 50 0 DCAARN Cc1cc(CNS(=O)(=O)c2cccc(-n3cnnn3)c2)no1 ZINC000058282922 184099753 /nfs/dbraw/zinc/09/97/53/184099753.db2.gz UBZYKLVXMBNQDU-UHFFFAOYSA-N 0 0 320.334 0.437 50 0 DCAARN O=C(CN1C(=O)c2ccccc2CS1(=O)=O)NCC1CC1 ZINC000058293202 184101551 /nfs/dbraw/zinc/10/15/51/184101551.db2.gz GFWVJRIQHBOESH-UHFFFAOYSA-N 0 0 308.359 0.498 50 0 DCAARN CC(C)OC(=O)CNC(=O)CCS(=O)(=O)C1CCCC1 ZINC000058432016 184117529 /nfs/dbraw/zinc/11/75/29/184117529.db2.gz SRTZQNAXJHOFJS-UHFFFAOYSA-N 0 0 305.396 0.802 50 0 DCAARN NS(=O)(=O)c1ccc(C(=O)N[C@H]2COc3ccccc32)o1 ZINC000058970817 184132908 /nfs/dbraw/zinc/13/29/08/184132908.db2.gz LKSMWOYBFWEAHZ-VIFPVBQESA-N 0 0 308.315 0.791 50 0 DCAARN CN(C)C(=O)CNc1ccccc1C(=O)N1CCC[C@H](O)C1 ZINC000063941636 184290773 /nfs/dbraw/zinc/29/07/73/184290773.db2.gz ZIVKQJOOEZVZMA-LBPRGKRZSA-N 0 0 305.378 0.784 50 0 DCAARN CCNC(=O)CN1CCN(Cc2cccc(C)c2)C(=O)C1=O ZINC000064888844 184305648 /nfs/dbraw/zinc/30/56/48/184305648.db2.gz ABFDWNWKZXFGQE-UHFFFAOYSA-N 0 0 303.362 0.302 50 0 DCAARN Cn1c2sc(C(=O)N3CCCCC3)cc2c(=O)n(C)c1=O ZINC000064950288 184306947 /nfs/dbraw/zinc/30/69/47/184306947.db2.gz WGNIFJWXRORDAK-UHFFFAOYSA-N 0 0 307.375 0.925 50 0 DCAARN CCCNC(=O)Cn1ccc2c1n(CC)c(=O)n(CC)c2=O ZINC000065030876 184308997 /nfs/dbraw/zinc/30/89/97/184308997.db2.gz BBNFJDJUPKYWQW-UHFFFAOYSA-N 0 0 306.366 0.531 50 0 DCAARN CC[C@H](C)NC(=O)Cn1c2cccnc2n2c(C)nnc2c1=O ZINC000065172948 184313630 /nfs/dbraw/zinc/31/36/30/184313630.db2.gz UUQOSDZPKXWWAS-VIFPVBQESA-N 0 0 314.349 0.662 50 0 DCAARN CCNC(=O)c1nn(-c2ccc(OC)cc2)c(OC)cc1=O ZINC000065198036 184314250 /nfs/dbraw/zinc/31/42/50/184314250.db2.gz SDLAKMMORVUSOZ-UHFFFAOYSA-N 0 0 303.318 0.999 50 0 DCAARN CCOC(=O)[C@@H](C)NC(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000065329515 184324992 /nfs/dbraw/zinc/32/49/92/184324992.db2.gz KPZBYZFURFYPII-SSDOTTSWSA-N 0 0 307.306 0.516 50 0 DCAARN COc1ccc(OC)c(CN2CCN(S(N)(=O)=O)CC2)c1 ZINC000065427669 184343300 /nfs/dbraw/zinc/34/33/00/184343300.db2.gz KDTSAZRFJHODJX-UHFFFAOYSA-N 0 0 315.395 0.025 50 0 DCAARN COC(=O)[C@@H]1C[C@@H](NC(=O)COc2ccccc2OC)CN1C ZINC000065433954 184344082 /nfs/dbraw/zinc/34/40/82/184344082.db2.gz RAUFYVBTACTWLN-NEPJUHHUSA-N 0 0 322.361 0.436 50 0 DCAARN CN1CC(=O)N2CCN(C/C=C/c3ccc(F)cc3)C[C@H]2C1=O ZINC000065454303 184347895 /nfs/dbraw/zinc/34/78/95/184347895.db2.gz AYKQJMCQMGOBPO-FAAWYNLUSA-N 0 0 317.364 0.824 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)N[C@@H]2CCc3nccn3C2)CC1=O ZINC000065463248 184349528 /nfs/dbraw/zinc/34/95/28/184349528.db2.gz WNRFVCLZDNZXLQ-QWHCGFSZSA-N 0 0 304.394 0.819 50 0 DCAARN COCc1nnc(NC(=O)CN[C@H](C)c2nc(C)no2)s1 ZINC000065466091 184350095 /nfs/dbraw/zinc/35/00/95/184350095.db2.gz CYPWZHKSKGEVDA-ZCFIWIBFSA-N 0 0 312.355 0.665 50 0 DCAARN Cc1cc(NC(=O)CN(C)c2ncnc3c2CN(C)CC3)no1 ZINC000065478862 184352598 /nfs/dbraw/zinc/35/25/98/184352598.db2.gz AZFNFAUETAUOIO-UHFFFAOYSA-N 0 0 316.365 0.836 50 0 DCAARN NC(=O)C(NC(=O)c1cnc(-c2ccccc2F)s1)C(N)=O ZINC000065521464 184359140 /nfs/dbraw/zinc/35/91/40/184359140.db2.gz BXIFETQDJPTLPE-UHFFFAOYSA-N 0 0 322.321 0.018 50 0 DCAARN Cc1nnc2n1C[C@H](NC(=O)c1cccc(-n3cnnn3)c1)CC2 ZINC000065530368 184361028 /nfs/dbraw/zinc/36/10/28/184361028.db2.gz IBOZAXWIWKLQLW-GFCCVEGCSA-N 0 0 324.348 0.307 50 0 DCAARN COc1cccc(C)c1C(=O)N1CCN2CCNC(=O)[C@H]2C1 ZINC000065535409 184362337 /nfs/dbraw/zinc/36/23/37/184362337.db2.gz VAQBJLOYXNBCHM-GFCCVEGCSA-N 0 0 303.362 0.260 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)Nc1cccc(C)n1 ZINC000065610393 184373271 /nfs/dbraw/zinc/37/32/71/184373271.db2.gz UHWUBABTEGAJGD-SNVBAGLBSA-N 0 0 307.354 0.104 50 0 DCAARN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NC[C@H]1CCOC1 ZINC000065586893 184369566 /nfs/dbraw/zinc/36/95/66/184369566.db2.gz QEKOYGPHBWSDPR-VXGBXAGGSA-N 0 0 319.427 0.136 50 0 DCAARN CC[C@@H](O)Cn1cc(C2=CCN(CCNC(C)=O)CC2)cn1 ZINC000065496933 184354756 /nfs/dbraw/zinc/35/47/56/184354756.db2.gz NNTAMWVYRWSMDH-MRXNPFEDSA-N 0 0 306.410 0.879 50 0 DCAARN CCOC(=O)[C@@H]1C(=O)NC[C@@H]1c1cc2c(c(OC)c1)OCO2 ZINC000066091585 184388574 /nfs/dbraw/zinc/38/85/74/184388574.db2.gz QTMQEUMTOMGEOS-SKDRFNHKSA-N 0 0 307.302 0.817 50 0 DCAARN CC(=O)N[C@@H]1CCCN(C(=O)NCCNc2cnccn2)C1 ZINC000065621946 184374940 /nfs/dbraw/zinc/37/49/40/184374940.db2.gz VHPKMUSGKTUVOW-GFCCVEGCSA-N 0 0 306.370 0.199 50 0 DCAARN COc1cccc(CN(C)C(=O)CN2C(=O)C(=O)N(C)C2=O)c1 ZINC000066316215 184402656 /nfs/dbraw/zinc/40/26/56/184402656.db2.gz KDPOGZLDUWYXLI-UHFFFAOYSA-N 0 0 319.317 0.074 50 0 DCAARN Cc1cc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)no1 ZINC000069392768 184512031 /nfs/dbraw/zinc/51/20/31/184512031.db2.gz JISJQKQCHAOBQM-GFCCVEGCSA-N 0 0 305.338 0.519 50 0 DCAARN O=C1C[C@@H](N[C@H]2CCCCNC2=O)C(=O)N1c1ccccc1 ZINC000101339368 296343632 /nfs/dbraw/zinc/34/36/32/296343632.db2.gz QRLYMGHWKKAQIU-QWHCGFSZSA-N 0 0 301.346 0.577 50 0 DCAARN COCCN1CCCN(c2ncnc3onc(C)c32)CC1=O ZINC000192546985 285018544 /nfs/dbraw/zinc/01/85/44/285018544.db2.gz UJMQWHUWYYRAJF-UHFFFAOYSA-N 0 0 305.338 0.611 50 0 DCAARN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2c[nH]cc(C)c2=O)C1 ZINC000334103823 252792502 /nfs/dbraw/zinc/79/25/02/252792502.db2.gz PIUMGEFVIHIRII-CHWSQXEVSA-N 0 0 324.377 0.169 50 0 DCAARN Cc1nc(S(=O)(=O)NCc2nnc(C(C)C)n2C)cn1C ZINC000155116529 197023646 /nfs/dbraw/zinc/02/36/46/197023646.db2.gz JYZBYIQBCDSHLQ-UHFFFAOYSA-N 0 0 312.399 0.459 50 0 DCAARN CCCCC[C@H](C)NC(=O)Cn1nc(-n2cncn2)ccc1=O ZINC000040539755 256533969 /nfs/dbraw/zinc/53/39/69/256533969.db2.gz HVQHPXXRAYQGLU-LBPRGKRZSA-N 0 0 318.381 0.909 50 0 DCAARN Cc1ccc(C(=O)N2CCN([C@H]3COC[C@H]3O)CC2)cc1F ZINC000225846791 256597826 /nfs/dbraw/zinc/59/78/26/256597826.db2.gz ZGYZFDWFRHLCAP-LSDHHAIUSA-N 0 0 308.353 0.652 50 0 DCAARN O=C(NCCn1cccn1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000524733751 257213369 /nfs/dbraw/zinc/21/33/69/257213369.db2.gz NASFYMGXSKIIGJ-AWEZNQCLSA-N 0 0 311.349 0.470 50 0 DCAARN C[C@@H](C(=O)N[C@H](c1nccn1C)c1ccccc1)n1cnnn1 ZINC000524733335 257214178 /nfs/dbraw/zinc/21/41/78/257214178.db2.gz ISZGUWLGGOJGJR-AAEUAGOBSA-N 0 0 311.349 0.873 50 0 DCAARN CN(C)C(=O)C(C)(C)NC(=O)c1ccccc1-n1cnnc1 ZINC000426550377 257246643 /nfs/dbraw/zinc/24/66/43/257246643.db2.gz HEIZKDZFFJJTRI-UHFFFAOYSA-N 0 0 301.350 0.864 50 0 DCAARN Cc1nn(C)c(C(=O)NC[C@H]2COCC[N@H+](C)C2)c1Cl ZINC000426544465 257246726 /nfs/dbraw/zinc/24/67/26/257246726.db2.gz RKBYDDDBEFOCOK-SNVBAGLBSA-N 0 0 300.790 0.690 50 0 DCAARN COCc1nc(C)c(CNC(=O)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000426538492 257246840 /nfs/dbraw/zinc/24/68/40/257246840.db2.gz ZVHHYFLKMDHULE-SECBINFHSA-N 0 0 318.420 0.649 50 0 DCAARN CC(=O)NCc1cc2n(n1)CCN(Cc1nc(C)cc(C)n1)C2 ZINC000426523701 257247489 /nfs/dbraw/zinc/24/74/89/257247489.db2.gz RFFPIZIBBYNYMM-UHFFFAOYSA-N 0 0 314.393 0.942 50 0 DCAARN CN(CC(=O)NCc1cc2ccc(F)cc2[nH]c1=O)C(N)=O ZINC000426502842 257248254 /nfs/dbraw/zinc/24/82/54/257248254.db2.gz FHBTXKIEKRYSML-UHFFFAOYSA-N 0 0 306.297 0.706 50 0 DCAARN CN1CC[NH+](CCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000426505890 257248600 /nfs/dbraw/zinc/24/86/00/257248600.db2.gz RXJJQYNAZDVNJT-HNNXBMFYSA-N 0 0 319.405 0.436 50 0 DCAARN Cc1nnc(CNC(=O)[C@@H](Cc2ccccc2)n2cnnn2)o1 ZINC000426487221 257249107 /nfs/dbraw/zinc/24/91/07/257249107.db2.gz AOSRUAIZXPAZAY-GFCCVEGCSA-N 0 0 313.321 0.465 50 0 DCAARN Cc1nnc(CNC(=O)[C@H](Cc2ccccc2)n2cnnn2)o1 ZINC000426487239 257249345 /nfs/dbraw/zinc/24/93/45/257249345.db2.gz AOSRUAIZXPAZAY-LBPRGKRZSA-N 0 0 313.321 0.465 50 0 DCAARN CN1CC(=O)N(CC(=O)N2CC(Oc3ccccc3F)C2)C1=O ZINC000426414236 257251524 /nfs/dbraw/zinc/25/15/24/257251524.db2.gz FMRCSSLOZIPGDM-UHFFFAOYSA-N 0 0 321.308 0.309 50 0 DCAARN CC(C)c1nnsc1CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000426420490 257251707 /nfs/dbraw/zinc/25/17/07/257251707.db2.gz DZVIMBYFSIGEJX-QMMMGPOBSA-N 0 0 303.409 0.712 50 0 DCAARN CCS(=O)(=O)CCN(C)C(=O)NCCCn1ccnc1 ZINC000426387349 257252398 /nfs/dbraw/zinc/25/23/98/257252398.db2.gz WQXYOOBARCERJV-UHFFFAOYSA-N 0 0 302.400 0.349 50 0 DCAARN O=C(CN1C(=O)N/C(=C/c2cccs2)C1=O)N1CCOCC1 ZINC000096983460 257261057 /nfs/dbraw/zinc/26/10/57/257261057.db2.gz VMMDZJHPAJLGJM-DHZHZOJOSA-N 0 0 321.358 0.500 50 0 DCAARN COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)C=C(C)C ZINC000408523908 533438281 /nfs/dbraw/zinc/43/82/81/533438281.db2.gz VZITUWJHNYSCDK-WDEREUQCSA-N 0 0 314.407 0.922 50 0 DCAARN CO[C@@H]1CN(C(=O)c2cc(Br)cn2C)C[C@H]1O ZINC000332650555 533467652 /nfs/dbraw/zinc/46/76/52/533467652.db2.gz MFRSCFVWVPPSOO-NXEZZACHSA-N 0 0 303.156 0.619 50 0 DCAARN O=S1(=O)C[C@H]2NC(=S)N(c3ccc(F)cc3F)[C@@H]2C1 ZINC000009341051 296493493 /nfs/dbraw/zinc/49/34/93/296493493.db2.gz KSTVTTFNMLJMNA-PSASIEDQSA-N 0 0 304.343 0.825 50 0 DCAARN O=C(CC(F)(F)F)N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000060211275 134798392 /nfs/dbraw/zinc/79/83/92/134798392.db2.gz UBJPKRPUURKPCI-UHFFFAOYSA-N 0 0 314.271 0.954 50 0 DCAARN CN(C)C(=O)CNC(=O)CCNC(=O)c1ccc(Cl)cc1 ZINC000008359071 395684517 /nfs/dbraw/zinc/68/45/17/395684517.db2.gz WHYWDJTYIYQMPW-UHFFFAOYSA-N 0 0 311.769 0.664 50 0 DCAARN Cn1c(Oc2ccc(F)cc2)nc2c1n(C)c(=O)n(C)c2=O ZINC000008716898 395684895 /nfs/dbraw/zinc/68/48/95/395684895.db2.gz MTVXNSPTQCQEKD-UHFFFAOYSA-N 0 0 304.281 0.902 50 0 DCAARN Cc1ccc(CNC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 ZINC000008753541 395684921 /nfs/dbraw/zinc/68/49/21/395684921.db2.gz AORRISGFDAKFFD-UHFFFAOYSA-N 0 0 311.345 0.755 50 0 DCAARN CONC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000008939542 395684983 /nfs/dbraw/zinc/68/49/83/395684983.db2.gz RRFLPBRCNZOCRT-UHFFFAOYSA-N 0 0 316.354 0.904 50 0 DCAARN C[C@H](O)CN1CC2=C(C1=O)[C@@H](c1ccc(O)cc1)NC(=O)N2 ZINC000008878070 395685072 /nfs/dbraw/zinc/68/50/72/395685072.db2.gz FUHWWPOKRWUWRI-ISVAXAHUSA-N 0 0 303.318 0.223 50 0 DCAARN Cn1nnnc1SCC(=O)Nc1ncc2c(n1)CCCC2=O ZINC000009287314 395685188 /nfs/dbraw/zinc/68/51/88/395685188.db2.gz FDSMBFGBRVSJSD-UHFFFAOYSA-N 0 0 319.350 0.250 50 0 DCAARN COc1ccc(C(=O)Nc2cc(=O)nc3[nH]cnn32)cc1OC ZINC000009319860 395685271 /nfs/dbraw/zinc/68/52/71/395685271.db2.gz JPMIZJDRXUPTGM-UHFFFAOYSA-N 0 0 315.289 0.687 50 0 DCAARN Cc1cccc(C)c1NC(=O)CNC(=O)NCC(=O)NC1CC1 ZINC000009586739 395685496 /nfs/dbraw/zinc/68/54/96/395685496.db2.gz FGTMMVLEFLNYFJ-UHFFFAOYSA-N 0 0 318.377 0.820 50 0 DCAARN COC(CNC(=O)c1c(O)nc2cc(C)ccn2c1=O)OC ZINC000010166621 395685888 /nfs/dbraw/zinc/68/58/88/395685888.db2.gz IAIJWGJBEWXEDA-UHFFFAOYSA-N 0 0 307.306 0.057 50 0 DCAARN Cc1ccc(S(C)(=O)=O)cc1NCC(=O)N1CCOCC1 ZINC000011036001 395686290 /nfs/dbraw/zinc/68/62/90/395686290.db2.gz DTEPZAOIJYAONR-UHFFFAOYSA-N 0 0 312.391 0.669 50 0 DCAARN Cc1nc(SCC(=O)NCc2ccco2)[nH]c(=O)c1CCO ZINC000011905764 395686906 /nfs/dbraw/zinc/68/69/06/395686906.db2.gz PFRNZPXWTDDEJV-UHFFFAOYSA-N 0 0 323.374 0.615 50 0 DCAARN CC1CCN(Cc2nnnn2CC(=O)N(C)[C@@H]2CCOC2)CC1 ZINC000011874380 395686990 /nfs/dbraw/zinc/68/69/90/395686990.db2.gz SEVCHLHGWVJKIO-CYBMUJFWSA-N 0 0 322.413 0.152 50 0 DCAARN CN(C)c1ncc2c(n1)CCC[C@H]2NC(=O)Cn1cccn1 ZINC000012073342 395686992 /nfs/dbraw/zinc/68/69/92/395686992.db2.gz BQSMQWCAZQJWHG-GFCCVEGCSA-N 0 0 300.366 0.933 50 0 DCAARN COCCN1C[C@@H](C(=O)NCc2cccc(C)n2)CCC1=O ZINC000012305780 395687457 /nfs/dbraw/zinc/68/74/57/395687457.db2.gz GTJQFKMHTDSHDI-ZDUSSCGKSA-N 0 0 305.378 0.891 50 0 DCAARN C=COCCNS(=O)(=O)c1ccc([C@H]2CNC(=O)C2)cc1 ZINC000012363739 395687481 /nfs/dbraw/zinc/68/74/81/395687481.db2.gz YOOKYBSDWCQGKL-GFCCVEGCSA-N 0 0 310.375 0.729 50 0 DCAARN COCCN1C[C@@H](C(=O)NCCc2ncccc2C)CCC1=O ZINC000012320408 395687541 /nfs/dbraw/zinc/68/75/41/395687541.db2.gz JFGYUQVTCWLFKC-AWEZNQCLSA-N 0 0 319.405 0.934 50 0 DCAARN COc1cc(C[C@@H]2CC(C(N)=O)=NO2)c(OC)c2c1OCO2 ZINC000012418096 395687597 /nfs/dbraw/zinc/68/75/97/395687597.db2.gz UTADDUDKHGZBFD-MRVPVSSYSA-N 0 0 308.290 0.605 50 0 DCAARN CC1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000012821786 395688080 /nfs/dbraw/zinc/68/80/80/395688080.db2.gz RODBYOWDCXJQBU-UHFFFAOYSA-N 0 0 316.361 0.504 50 0 DCAARN CCOC(=O)N1CCC(NC(=O)[C@@H](NC(C)=O)C(C)C)CC1 ZINC000012942413 395688292 /nfs/dbraw/zinc/68/82/92/395688292.db2.gz CFGWWQXWBNUBST-ZDUSSCGKSA-N 0 0 313.398 0.884 50 0 DCAARN O=C([O-])c1cc(S(=O)(=O)NCC[NH+]2CCCC2)ccc1F ZINC000013093524 395688402 /nfs/dbraw/zinc/68/84/02/395688402.db2.gz FNWHTFGBUJAJQE-UHFFFAOYSA-N 0 0 316.354 0.898 50 0 DCAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ncnn32)cc1 ZINC000013123860 395688453 /nfs/dbraw/zinc/68/84/53/395688453.db2.gz SATBBVIFHHXXOD-NSHDSACASA-N 0 0 314.305 0.759 50 0 DCAARN COc1ccccc1CN1C(=S)N[C@H]2CS(=O)(=O)C[C@H]21 ZINC000013629999 395688622 /nfs/dbraw/zinc/68/86/22/395688622.db2.gz HKQLWJGHFWQCBO-WDEREUQCSA-N 0 0 312.416 0.551 50 0 DCAARN Cc1nc2n(n1)[C@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2 ZINC000013552434 395688682 /nfs/dbraw/zinc/68/86/82/395688682.db2.gz HLZZOKWFSOXQMF-VIFPVBQESA-N 0 0 315.289 0.837 50 0 DCAARN COc1ccccc1CN1C(=S)N[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000013630004 395688864 /nfs/dbraw/zinc/68/88/64/395688864.db2.gz HKQLWJGHFWQCBO-MNOVXSKESA-N 0 0 312.416 0.551 50 0 DCAARN O=C(CN1CCNC(=O)C1)Nc1ccc(N2CCCC2=O)cc1 ZINC000014160480 395689187 /nfs/dbraw/zinc/68/91/87/395689187.db2.gz RPHSDTLPEGTRBM-UHFFFAOYSA-N 0 0 316.361 0.184 50 0 DCAARN CC1CCC2(CC1)NC(=O)N(NC(=O)C1=COCCO1)C2=O ZINC000014202034 395689298 /nfs/dbraw/zinc/68/92/98/395689298.db2.gz ORGZPKVMYKVVHC-UHFFFAOYSA-N 0 0 309.322 0.407 50 0 DCAARN Cn1nc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1=O ZINC000014185628 395689357 /nfs/dbraw/zinc/68/93/57/395689357.db2.gz SGZPCQFSXKYOAN-UHFFFAOYSA-N 0 0 312.329 0.925 50 0 DCAARN C[C@H]1NC(=O)[C@H]2CN(C(=O)Nc3ccccc3)CCN2C1=O ZINC000014537916 395689406 /nfs/dbraw/zinc/68/94/06/395689406.db2.gz DWAYTEUKZCETKW-ZYHUDNBSSA-N 0 0 302.334 0.250 50 0 DCAARN NC(=O)COc1ccc(CCO)cc1-n1nc2ccccc2n1 ZINC000014670925 395689599 /nfs/dbraw/zinc/68/95/99/395689599.db2.gz XICLTCVUSGOFGM-UHFFFAOYSA-N 0 0 312.329 0.819 50 0 DCAARN Cn1c(=O)cc(C(=O)Nc2ccc3c(c2)OCO3)n(C)c1=O ZINC000015083425 395689822 /nfs/dbraw/zinc/68/98/22/395689822.db2.gz FKUKYTQRJZMKRX-UHFFFAOYSA-N 0 0 303.274 0.065 50 0 DCAARN Cc1cc(C)nc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000020541824 395691309 /nfs/dbraw/zinc/69/13/09/395691309.db2.gz QITFIIZAUCMWCV-UHFFFAOYSA-N 0 0 320.374 0.671 50 0 DCAARN CCNC(=O)NC1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000021785102 395691545 /nfs/dbraw/zinc/69/15/45/395691545.db2.gz UAAAWZKIDLGNFD-UHFFFAOYSA-N 0 0 303.370 0.721 50 0 DCAARN COc1cc(OC)c(OC)cc1CN1CCN(CCO)CC1 ZINC000022585283 395691906 /nfs/dbraw/zinc/69/19/06/395691906.db2.gz CKHDTELUEPFMJU-UHFFFAOYSA-N 0 0 310.394 0.822 50 0 DCAARN Cc1noc(COC(=O)CN2C(=O)COc3ccccc32)n1 ZINC000023382644 395692500 /nfs/dbraw/zinc/69/25/00/395692500.db2.gz NAYZRWQXYWWLMU-UHFFFAOYSA-N 0 0 303.274 0.847 50 0 DCAARN COC(=O)c1cc(C(=O)OC)c(C(=O)OC)nc1C(=O)OC ZINC000000245179 395680020 /nfs/dbraw/zinc/68/00/20/395680020.db2.gz FRNKWNJKUPKZOW-UHFFFAOYSA-N 0 0 311.246 0.228 50 0 DCAARN CCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000000252418 395680036 /nfs/dbraw/zinc/68/00/36/395680036.db2.gz OTFLQNZODFHFPP-UHFFFAOYSA-N 0 0 312.391 0.803 50 0 DCAARN COC(=O)c1nnn(CC(=O)Nc2ccc(OC)cc2)c1N ZINC000000248751 395680128 /nfs/dbraw/zinc/68/01/28/395680128.db2.gz XIWYRCLGNGYOQZ-UHFFFAOYSA-N 0 0 305.294 0.294 50 0 DCAARN NC(=O)c1cccc(C(=O)N[C@H](O)C(=O)c2ccc(F)cc2)n1 ZINC000000338808 395680137 /nfs/dbraw/zinc/68/01/37/395680137.db2.gz ZTRSDKMPHRISBC-OAHLLOKOSA-N 0 0 317.276 0.251 50 0 DCAARN Cc1nn(CC(=O)NN2CCOCC2)c(=O)c2ccccc12 ZINC000000522619 395680457 /nfs/dbraw/zinc/68/04/57/395680457.db2.gz JVBUUBMRHAUBCI-UHFFFAOYSA-N 0 0 302.334 0.068 50 0 DCAARN CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000000490417 395680462 /nfs/dbraw/zinc/68/04/62/395680462.db2.gz XEPQPPSBVXFJOA-CGOYYEKTSA-N 0 0 307.346 0.511 50 0 biogenic DCAARN CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000000806906 395680652 /nfs/dbraw/zinc/68/06/52/395680652.db2.gz NAHVCHWJGQJMDQ-UHFFFAOYSA-N 0 0 312.391 0.842 50 0 DCAARN CCOC(=O)C1(C(=O)OCC)Oc2c(cccc2OC)[C@@H]1O ZINC000002419983 395681577 /nfs/dbraw/zinc/68/15/77/395681577.db2.gz UTEBKOHNXIQNFD-LBPRGKRZSA-N 0 0 310.302 0.986 50 0 DCAARN O=C(CN1C(=O)N[C@H](c2ccc(F)cc2)C1=O)N1CCOCC1 ZINC000002632954 395681708 /nfs/dbraw/zinc/68/17/08/395681708.db2.gz HSAGGPSSBHWPRN-CYBMUJFWSA-N 0 0 321.308 0.277 50 0 DCAARN CCOC(=O)[C@@H](C)Oc1cccc2c1ccn(CC(N)=O)c2=O ZINC000002712259 395681815 /nfs/dbraw/zinc/68/18/15/395681815.db2.gz ICYCIPCWUMWUNL-SNVBAGLBSA-N 0 0 318.329 0.817 50 0 DCAARN CCOC(=O)C(C(=O)OCC)[C@@]1(O)C(=O)Nc2ccccc21 ZINC000002795961 395681887 /nfs/dbraw/zinc/68/18/87/395681887.db2.gz OQKKDWWYJZMVRM-OAHLLOKOSA-N 0 0 307.302 0.569 50 0 DCAARN CCn1ncc(NC(=O)c2c(Cl)c(C)nn2C)c1C(N)=O ZINC000002781274 395681896 /nfs/dbraw/zinc/68/18/96/395681896.db2.gz IXFBGSCYSPZVDC-UHFFFAOYSA-N 0 0 310.745 0.950 50 0 DCAARN CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc(OC)c1 ZINC000003118733 395682232 /nfs/dbraw/zinc/68/22/32/395682232.db2.gz YTPNSCRSXWHUMV-ZDUSSCGKSA-N 0 0 320.345 0.589 50 0 DCAARN Cc1cccc2c(=O)n(CC(=O)N3CCO[C@H](C)C3)cnc12 ZINC000029790150 395700072 /nfs/dbraw/zinc/70/00/72/395700072.db2.gz YHLRVUGXMQECOD-GFCCVEGCSA-N 0 0 301.346 0.952 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)CCO1 ZINC000029902670 395700448 /nfs/dbraw/zinc/70/04/48/395700448.db2.gz XKROHDLHNGWFLN-SNVBAGLBSA-N 0 0 321.308 0.890 50 0 DCAARN C[C@H]1CN(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)CCO1 ZINC000029902673 395700570 /nfs/dbraw/zinc/70/05/70/395700570.db2.gz XKROHDLHNGWFLN-JTQLQIEISA-N 0 0 321.308 0.890 50 0 DCAARN CN(Cc1ccc(F)cc1F)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000030843900 395704344 /nfs/dbraw/zinc/70/43/44/395704344.db2.gz WHTILBZKFLWHSS-UHFFFAOYSA-N 0 0 323.299 0.484 50 0 DCAARN Cc1cccc(OCCNC(=O)NCCNS(C)(=O)=O)c1 ZINC000031034369 395705183 /nfs/dbraw/zinc/70/51/83/395705183.db2.gz ADACZBZKZWCWHY-UHFFFAOYSA-N 0 0 315.395 0.222 50 0 DCAARN Cc1cc(CN(C)CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)no1 ZINC000031656299 395707600 /nfs/dbraw/zinc/70/76/00/395707600.db2.gz NAJIWPYPRJSOEW-GFCCVEGCSA-N 0 0 315.395 0.060 50 0 DCAARN CC(=O)Nc1nc(C(=O)NCc2nnc3n2CCC3)cs1 ZINC000032058997 395708742 /nfs/dbraw/zinc/70/87/42/395708742.db2.gz LFLGUMNUAQJAFH-UHFFFAOYSA-N 0 0 306.351 0.569 50 0 DCAARN CC(C)NC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000032097260 395709303 /nfs/dbraw/zinc/70/93/03/395709303.db2.gz YXIFHTGTEVBIPS-LBPRGKRZSA-N 0 0 303.362 0.680 50 0 DCAARN CCc1nnc([C@H]2CN(Cc3nnc(C4CC4)n3C)CCO2)[nH]1 ZINC000089289859 395710007 /nfs/dbraw/zinc/71/00/07/395710007.db2.gz GYDXQRDMQGQGFZ-LLVKDONJSA-N 0 0 317.397 0.947 50 0 DCAARN Cc1cc(C)nc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000032611327 395711546 /nfs/dbraw/zinc/71/15/46/395711546.db2.gz QSOZJGAWJKPHJK-NSHDSACASA-N 0 0 312.395 0.704 50 0 DCAARN COc1cccc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)c1 ZINC000032689075 395712410 /nfs/dbraw/zinc/71/24/10/395712410.db2.gz GAXNDYMNJOJBMY-UHFFFAOYSA-N 0 0 317.301 0.587 50 0 DCAARN CCCn1nnnc1COC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000032747234 395712699 /nfs/dbraw/zinc/71/26/99/395712699.db2.gz MXCAGKLXHHUUDD-LLVKDONJSA-N 0 0 317.349 0.945 50 0 DCAARN CC(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000032776136 395713453 /nfs/dbraw/zinc/71/34/53/395713453.db2.gz QJMYSPDRANPZME-GXSJLCMTSA-N 0 0 309.322 0.864 50 0 DCAARN Cc1cc(=O)n2nc(N3CCC4(CC3)OCCO4)sc2n1 ZINC000032824987 395713567 /nfs/dbraw/zinc/71/35/67/395713567.db2.gz RTJIQVZPJDREKK-UHFFFAOYSA-N 0 0 308.363 0.803 50 0 DCAARN O=C([C@@H]1COCCO1)N1CCC[C@H]1c1nnc2ccccn21 ZINC000032821446 395713758 /nfs/dbraw/zinc/71/37/58/395713758.db2.gz VSLLSAMKUSPEKF-RYUDHWBXSA-N 0 0 302.334 0.808 50 0 DCAARN COc1cc(C(=O)NC2CCN(CC(N)=O)CC2)ccc1C ZINC000032876316 395714195 /nfs/dbraw/zinc/71/41/95/395714195.db2.gz GYLXUUGWKAYNKL-UHFFFAOYSA-N 0 0 305.378 0.683 50 0 DCAARN CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(Cc2ccon2)C1 ZINC000089718331 395714197 /nfs/dbraw/zinc/71/41/97/395714197.db2.gz FHQNLHPZKSGSHO-ZDUSSCGKSA-N 0 0 305.338 0.989 50 0 DCAARN O=C(NC1CCN(c2ncccn2)CC1)N1CCC(O)CC1 ZINC000089884830 395715881 /nfs/dbraw/zinc/71/58/81/395715881.db2.gz MFEZENFEIXPOCB-UHFFFAOYSA-N 0 0 305.382 0.612 50 0 DCAARN CC(C)N1CCN(C(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000089885201 395715925 /nfs/dbraw/zinc/71/59/25/395715925.db2.gz LUTSYNAPROEFQX-UHFFFAOYSA-N 0 0 311.407 0.500 50 0 DCAARN O=C(NC[C@H]1CCCO1)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000089834804 395716028 /nfs/dbraw/zinc/71/60/28/395716028.db2.gz AINMJBHOHXMDNL-CABCVRRESA-N 0 0 318.373 0.709 50 0 DCAARN CSc1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1 ZINC000033327120 395716997 /nfs/dbraw/zinc/71/69/97/395716997.db2.gz RNJOZVOGLJSNGS-UHFFFAOYSA-N 0 0 313.360 0.998 50 0 DCAARN C[C@@H]1CN(CCNC(=O)NCCCn2cncn2)C[C@H](C)O1 ZINC000089936666 395717209 /nfs/dbraw/zinc/71/72/09/395717209.db2.gz PDEDCYSBPDVJAA-BETUJISGSA-N 0 0 310.402 0.077 50 0 DCAARN CONC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000036728689 395724444 /nfs/dbraw/zinc/72/44/44/395724444.db2.gz DLWVKCRBAMNBQX-JTQLQIEISA-N 0 0 317.367 0.370 50 0 DCAARN COc1ccccc1CNC(=O)NC1CCN(CC(N)=O)CC1 ZINC000036392994 395723452 /nfs/dbraw/zinc/72/34/52/395723452.db2.gz BMTJFCXTKPBIFU-UHFFFAOYSA-N 0 0 320.393 0.444 50 0 DCAARN O=C(NCc1ccc(N2CCOCC2)nc1)NC[C@@H]1CCCO1 ZINC000027333286 395694868 /nfs/dbraw/zinc/69/48/68/395694868.db2.gz ZCYJSXOQXAVRAV-AWEZNQCLSA-N 0 0 320.393 0.896 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000029191803 395697083 /nfs/dbraw/zinc/69/70/83/395697083.db2.gz SNFPVEAGBJUZKP-NSHDSACASA-N 0 0 315.395 0.374 50 0 DCAARN CCc1nsc(Nc2cnn(CC(=O)N3CCOCC3)c2)n1 ZINC000092656869 395732261 /nfs/dbraw/zinc/73/22/61/395732261.db2.gz LFEOOCZCXJOQGV-UHFFFAOYSA-N 0 0 322.394 0.899 50 0 DCAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc(Br)c[nH]1 ZINC000037982154 395729952 /nfs/dbraw/zinc/72/99/52/395729952.db2.gz HENGHNDKFOTKIT-ZETCQYMHSA-N 0 0 321.196 0.942 50 0 DCAARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCc1ccccc1Cl ZINC000038488393 395731886 /nfs/dbraw/zinc/73/18/86/395731886.db2.gz VSCHANUIAPPNFS-UHFFFAOYSA-N 0 0 307.737 0.884 50 0 DCAARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCNC(=O)C1 ZINC000038342446 395731933 /nfs/dbraw/zinc/73/19/33/395731933.db2.gz MRAXFRZZXXZOSZ-LLVKDONJSA-N 0 0 305.334 0.260 50 0 DCAARN CCN1C(=O)N[C@](C)([C@@H]2CCCN(Cc3nc(C)no3)C2)C1=O ZINC000095402598 395740621 /nfs/dbraw/zinc/74/06/21/395740621.db2.gz RVSYQCZIHRHXAU-IAQYHMDHSA-N 0 0 321.381 0.920 50 0 DCAARN O=C(c1nc(N2CCOCC2)ncc1Cl)N1CCOCC1 ZINC000040543027 395734189 /nfs/dbraw/zinc/73/41/89/395734189.db2.gz NEQVOMIFKZPYFI-UHFFFAOYSA-N 0 0 312.757 0.439 50 0 DCAARN Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)N(C)C ZINC000096193188 395748433 /nfs/dbraw/zinc/74/84/33/395748433.db2.gz MZWWEOZOOJPBEU-UHFFFAOYSA-N 0 0 312.391 0.903 50 0 DCAARN O=C(NC[C@@H](O)CN1CCOCC1)[C@@H]1CCCc2sccc21 ZINC000095442304 395741134 /nfs/dbraw/zinc/74/11/34/395741134.db2.gz ZGCWALOTDZFAIU-TZMCWYRMSA-N 0 0 324.446 0.977 50 0 DCAARN O=C(NC[C@@H](O)CN1CCOCC1)[C@H]1CCCc2sccc21 ZINC000095442305 395741186 /nfs/dbraw/zinc/74/11/86/395741186.db2.gz ZGCWALOTDZFAIU-OCCSQVGLSA-N 0 0 324.446 0.977 50 0 DCAARN Cn1nnnc1COc1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000096101304 395744239 /nfs/dbraw/zinc/74/42/39/395744239.db2.gz PEFAQGLBINFROW-CYBMUJFWSA-N 0 0 317.349 0.698 50 0 DCAARN Cn1nnnc1COc1cccc(C(=O)N2CCOCC2)c1 ZINC000096101336 395744357 /nfs/dbraw/zinc/74/43/57/395744357.db2.gz YVLFSASAVOUAPL-UHFFFAOYSA-N 0 0 303.322 0.262 50 0 DCAARN CCc1n[nH]c(=O)c2cc(S(=O)(=O)N3CCCCC3)cn21 ZINC000096102025 395744367 /nfs/dbraw/zinc/74/43/67/395744367.db2.gz RIHNTWHCHPTKRY-UHFFFAOYSA-N 0 0 310.379 0.760 50 0 DCAARN CN(C)c1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C(=O)[O-])C2)cc1 ZINC000096132128 395745556 /nfs/dbraw/zinc/74/55/56/395745556.db2.gz RSWCUJHWMVNMJY-GUYCJALGSA-N 0 0 317.389 0.841 50 0 DCAARN Cn1cc(C(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)nn1 ZINC000096120321 395745577 /nfs/dbraw/zinc/74/55/77/395745577.db2.gz UJDQKTWDIQYGPP-UHFFFAOYSA-N 0 0 322.413 0.765 50 0 DCAARN CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)N(C)C)CC1 ZINC000096374757 395752920 /nfs/dbraw/zinc/75/29/20/395752920.db2.gz RIUJKGWMGUPBJM-UHFFFAOYSA-N 0 0 312.457 0.328 50 0 DCAARN O=C(c1cn[nH]n1)N1CCN(c2nncc3ccccc32)CC1 ZINC000096443701 395753425 /nfs/dbraw/zinc/75/34/25/395753425.db2.gz NFARJZQRMDOXSE-UHFFFAOYSA-N 0 0 309.333 0.710 50 0 DCAARN CCc1nc(Cl)c(C)c(N(C)CCNS(C)(=O)=O)n1 ZINC000096449401 395753499 /nfs/dbraw/zinc/75/34/99/395753499.db2.gz AOFDUWJZZYCVSS-UHFFFAOYSA-N 0 0 306.819 0.986 50 0 DCAARN O=C(c1cccc(O)c1)N1CCN(CCn2cncn2)CC1 ZINC000096452937 395753724 /nfs/dbraw/zinc/75/37/24/395753724.db2.gz FJRVZWPIMOGPKF-UHFFFAOYSA-N 0 0 301.350 0.442 50 0 DCAARN CC[C@@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCc3nccn3C2)C1=O ZINC000097198257 395755633 /nfs/dbraw/zinc/75/56/33/395755633.db2.gz HNDPZBCLRNXFEV-MEBBXXQBSA-N 0 0 319.365 0.035 50 0 DCAARN CCc1nnsc1C(=O)N[C@H]1CCc2nnc(CC)n2C1 ZINC000097198162 395755674 /nfs/dbraw/zinc/75/56/74/395755674.db2.gz PKSAJSPTFLSLIK-QMMMGPOBSA-N 0 0 306.395 0.999 50 0 DCAARN O=C(C1CCOCC1)N1CCN(Cc2ccco2)C[C@H](O)C1 ZINC000097272340 395756383 /nfs/dbraw/zinc/75/63/83/395756383.db2.gz INAVWFAIXXIGFU-AWEZNQCLSA-N 0 0 308.378 0.711 50 0 DCAARN O=C(Cn1cccn1)NCc1cccnc1N1CCC[C@H](O)C1 ZINC000042992776 395751244 /nfs/dbraw/zinc/75/12/44/395751244.db2.gz RNSGMVGRZDCABY-AWEZNQCLSA-N 0 0 315.377 0.556 50 0 DCAARN Cc1cccn2c(CC(=O)N3CC[C@@](C)(O)[C@@H](O)C3)cnc12 ZINC000097480275 395758142 /nfs/dbraw/zinc/75/81/42/395758142.db2.gz ZMPXSKNLCPWKJY-XJKSGUPXSA-N 0 0 303.362 0.529 50 0 DCAARN C[C@@H](CN1CCOCC1)NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000046885525 395782382 /nfs/dbraw/zinc/78/23/82/395782382.db2.gz ZCRKRWORLXDBDW-NSHDSACASA-N 0 0 319.361 0.468 50 0 DCAARN C[C@H]1C[N@H+](C)C[C@H]1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000107058935 395784395 /nfs/dbraw/zinc/78/43/95/395784395.db2.gz SYWQYRYUWNNCBH-IINYFYTJSA-N 0 0 323.418 0.800 50 0 DCAARN C[C@@H]1CCCC[C@@H]1OCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000047005013 395784975 /nfs/dbraw/zinc/78/49/75/395784975.db2.gz NJAXQXMOVRPDRB-NEPJUHHUSA-N 0 0 309.366 0.248 50 0 DCAARN Cc1nc(C2CC2)ncc1C(=O)NCCS(=O)(=O)N(C)C ZINC000097532458 395758577 /nfs/dbraw/zinc/75/85/77/395758577.db2.gz ZESCSBHEXSGWED-UHFFFAOYSA-N 0 0 312.395 0.284 50 0 DCAARN Cc1cccc(CC(=O)N2CC[N@H+](CC(=O)[O-])C[C@H](O)C2)c1 ZINC000097532272 395758872 /nfs/dbraw/zinc/75/88/72/395758872.db2.gz KPLFBYANSQRXTO-AWEZNQCLSA-N 0 0 306.362 0.127 50 0 DCAARN Cc1cc(CNC(=O)c2cnc3c(O)cccn3c2=O)n(C)n1 ZINC000097594983 395759394 /nfs/dbraw/zinc/75/93/94/395759394.db2.gz IGZAJPOHXNAWMY-UHFFFAOYSA-N 0 0 313.317 0.372 50 0 DCAARN O=C(CN1CCN(Cc2ccoc2)C[C@@H](O)C1)N1CCCCC1 ZINC000097610002 395759469 /nfs/dbraw/zinc/75/94/69/395759469.db2.gz MLRRCXYUERLTEL-MRXNPFEDSA-N 0 0 321.421 0.771 50 0 DCAARN Cc1ncncc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000097681823 395759622 /nfs/dbraw/zinc/75/96/22/395759622.db2.gz XUYSIALRYVCFGK-UHFFFAOYSA-N 0 0 317.393 0.165 50 0 DCAARN CC(C)NC(=O)CCNC(=O)NCCNC(=O)c1ccccc1 ZINC000045559541 395763875 /nfs/dbraw/zinc/76/38/75/395763875.db2.gz DCZDCJYYXZCOLE-UHFFFAOYSA-N 0 0 320.393 0.630 50 0 DCAARN CN1CCN(c2c(=O)c(=O)c2NCc2cccc(F)c2)CC1 ZINC000101677759 395766124 /nfs/dbraw/zinc/76/61/24/395766124.db2.gz LGBJAUBMGTWYTM-UHFFFAOYSA-N 0 0 303.337 0.786 50 0 DCAARN C[C@@H](O)CNc1c(=O)c(=O)c1N1CCN(c2ccccc2)CC1 ZINC000101698867 395767052 /nfs/dbraw/zinc/76/70/52/395767052.db2.gz NUTHQPDZLNWBTE-GFCCVEGCSA-N 0 0 315.373 0.402 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000102181229 395769103 /nfs/dbraw/zinc/76/91/03/395769103.db2.gz STWKXGDRMHFMFH-BETUJISGSA-N 0 0 316.361 0.330 50 0 DCAARN CN(CC(=O)Nc1cnc(-c2ccccc2)nc1)S(C)(=O)=O ZINC000046178867 395771993 /nfs/dbraw/zinc/77/19/93/395771993.db2.gz FCXHXNJUIWPKJO-UHFFFAOYSA-N 0 0 320.374 0.974 50 0 DCAARN Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000047926286 395803149 /nfs/dbraw/zinc/80/31/49/395803149.db2.gz RMCXEBDWVQDXFI-GFCCVEGCSA-N 0 0 313.427 0.725 50 0 DCAARN COc1cccc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)c1 ZINC000048007724 395805645 /nfs/dbraw/zinc/80/56/45/395805645.db2.gz BNYGKKSXWXWATA-UHFFFAOYSA-N 0 0 317.389 0.618 50 0 DCAARN NC(=O)C1CCN(CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000048234309 395811640 /nfs/dbraw/zinc/81/16/40/395811640.db2.gz GWAPEMRQAUZNME-AWEZNQCLSA-N 0 0 317.389 0.824 50 0 DCAARN COc1cncc(O[C@@H]2CCN(C(=O)N3CCN(C)CC3)C2)n1 ZINC000225396242 395859257 /nfs/dbraw/zinc/85/92/57/395859257.db2.gz VOUNEVAZKSRYIH-GFCCVEGCSA-N 0 0 321.381 0.306 50 0 DCAARN COc1ccc(O[C@@H]2CCN(C(=O)N3CCNC3=O)C2)nn1 ZINC000225441344 395859662 /nfs/dbraw/zinc/85/96/62/395859662.db2.gz WISCVRFGJALMIQ-SECBINFHSA-N 0 0 307.310 0.084 50 0 DCAARN Cc1nnc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000049338417 395831306 /nfs/dbraw/zinc/83/13/06/395831306.db2.gz XUNQXDNEFQOZHI-MRVPVSSYSA-N 0 0 319.412 0.392 50 0 DCAARN CCCCN(CC(N)=O)C(=O)c1cnc2ccccn2c1=O ZINC000049743777 395834162 /nfs/dbraw/zinc/83/41/62/395834162.db2.gz NJVLGJDMELDTGQ-UHFFFAOYSA-N 0 0 302.334 0.422 50 0 DCAARN O=C(CN1C(=O)CNC1=O)NCc1nc2c(s1)CCCC2 ZINC000216997177 395837624 /nfs/dbraw/zinc/83/76/24/395837624.db2.gz NGOXRUCSYGGFTJ-UHFFFAOYSA-N 0 0 308.363 0.190 50 0 DCAARN COc1c(C)cnc(CNC(=O)[C@@H](C)S(C)(=O)=O)c1C ZINC000050448154 395838866 /nfs/dbraw/zinc/83/88/66/395838866.db2.gz KHIPFEQBHNRNDX-SNVBAGLBSA-N 0 0 300.380 0.756 50 0 DCAARN C[NH+](C)[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)COc2ccc(F)cc2)C1 ZINC000218033403 395841636 /nfs/dbraw/zinc/84/16/36/395841636.db2.gz YCUMWJIUEGALNC-YPMHNXCESA-N 0 0 310.325 0.820 50 0 DCAARN NC(=O)[C@H]1CN(C(=O)c2cc3ccccc3oc2=O)CCO1 ZINC000050858753 395842978 /nfs/dbraw/zinc/84/29/78/395842978.db2.gz NRERYLQDWOAUNC-GFCCVEGCSA-N 0 0 302.286 0.119 50 0 DCAARN O=C(c1ccc(=O)[nH]n1)N1CCC[C@H](Oc2cnccn2)C1 ZINC000225468298 395860591 /nfs/dbraw/zinc/86/05/91/395860591.db2.gz OXLNHBLDBOGSBC-JTQLQIEISA-N 0 0 301.306 0.244 50 0 DCAARN Cn1ccnc1[C@H](O)C1CCN(C(=O)CN2CCOC2=O)CC1 ZINC000219290525 395844433 /nfs/dbraw/zinc/84/44/33/395844433.db2.gz FSCPNCPCPBRCNL-CYBMUJFWSA-N 0 0 322.365 0.144 50 0 DCAARN O=C(NCCNc1cc(C2CC(O)C2)ncn1)c1cccnc1 ZINC000219563086 395845421 /nfs/dbraw/zinc/84/54/21/395845421.db2.gz ATMCAUFLUZKERT-UHFFFAOYSA-N 0 0 313.361 0.952 50 0 DCAARN Cc1ccccc1[C@]1(O)CCN(C(=O)CN2CCOCC2)C1 ZINC000219542502 395845457 /nfs/dbraw/zinc/84/54/57/395845457.db2.gz WAUGRFNOPQVNJF-KRWDZBQOSA-N 0 0 304.390 0.747 50 0 DCAARN Cn1cccc1C(=O)NCCn1[nH]c(=O)c2ccccc2c1=O ZINC000220027794 395846976 /nfs/dbraw/zinc/84/69/76/395846976.db2.gz CFGMLJZTHIOAGR-UHFFFAOYSA-N 0 0 312.329 0.458 50 0 DCAARN Cc1nnnn1CCCN1CCn2nc([C@H](O)C3CC3)cc2C1 ZINC000219934989 395846979 /nfs/dbraw/zinc/84/69/79/395846979.db2.gz RNSXLCWCAHWDPZ-OAHLLOKOSA-N 0 0 317.397 0.527 50 0 DCAARN Cc1nnnn1CCC(=O)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000219967283 395847031 /nfs/dbraw/zinc/84/70/31/395847031.db2.gz JGIHLEPRFGMELM-ZDUSSCGKSA-N 0 0 303.370 0.507 50 0 DCAARN O=C(N[C@@H]1CCOC1)c1ccccc1N1CCS(=O)(=O)CC1 ZINC000220392476 395848413 /nfs/dbraw/zinc/84/84/13/395848413.db2.gz GUHAXAREULNDAD-GFCCVEGCSA-N 0 0 324.402 0.440 50 0 DCAARN CCCO[C@H]1CCCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)C1 ZINC000220547606 395848817 /nfs/dbraw/zinc/84/88/17/395848817.db2.gz TZQJVMREOWSGSC-LBPRGKRZSA-N 0 0 309.366 0.034 50 0 DCAARN Cc1noc(C)c1CCCNC(=O)c1c[nH]c2ncnn2c1=O ZINC000220472224 395848980 /nfs/dbraw/zinc/84/89/80/395848980.db2.gz ZJHFYKCBSULKST-UHFFFAOYSA-N 0 0 316.321 0.385 50 0 DCAARN Cc1cc(CN2CCN(Cc3ccn(C)c(=O)c3)CC2)no1 ZINC000051254621 395849120 /nfs/dbraw/zinc/84/91/20/395849120.db2.gz ODSXTPLOOHEWSQ-UHFFFAOYSA-N 0 0 302.378 1.000 50 0 DCAARN CO[C@@H]1COCC[C@H]1NC(=O)CCNC(=O)c1ccccc1F ZINC000220688731 395849565 /nfs/dbraw/zinc/84/95/65/395849565.db2.gz RGSQJQPNVZGKLF-ZIAGYGMSSA-N 0 0 324.352 0.866 50 0 DCAARN Cc1cc(=O)[nH]c(CCNC(=O)COC[C@H]2CCCCO2)n1 ZINC000221320886 395850329 /nfs/dbraw/zinc/85/03/29/395850329.db2.gz NRIBCUHJGJTBJG-GFCCVEGCSA-N 0 0 309.366 0.323 50 0 DCAARN Cc1nc(CCN(C)C(=O)c2cc(CC(C)C)nc(=O)[nH]2)no1 ZINC000221267974 395850412 /nfs/dbraw/zinc/85/04/12/395850412.db2.gz MWOVLFTWJJRKSD-UHFFFAOYSA-N 0 0 319.365 0.975 50 0 DCAARN Cc1ccc(O[C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 ZINC000225459404 395861009 /nfs/dbraw/zinc/86/10/09/395861009.db2.gz QQBZECNLPXWLQG-VXGBXAGGSA-N 0 0 304.350 0.433 50 0 DCAARN COCCN1C[C@@H](Cc2ccc(-n3ccnc3)nn2)CC1=O ZINC000222856904 395853642 /nfs/dbraw/zinc/85/36/42/395853642.db2.gz XJOXNLZXZCHQFT-LBPRGKRZSA-N 0 0 301.350 0.700 50 0 DCAARN O=C(NCCCO)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223355349 395855005 /nfs/dbraw/zinc/85/50/05/395855005.db2.gz AAWXTFIUFFXJNW-LBPRGKRZSA-N 0 0 320.345 0.405 50 0 DCAARN CC(=O)NCC1CCN(CC(=O)Nc2cc(C)nn2C)CC1 ZINC000047772877 395800697 /nfs/dbraw/zinc/80/06/97/395800697.db2.gz ZKSIPSIJNWZNQK-UHFFFAOYSA-N 0 0 307.398 0.515 50 0 DCAARN Cc1c(C(=O)N2CC[C@H](C(N)=O)C2)nnn1-c1ccc(F)cc1 ZINC000053894281 395890897 /nfs/dbraw/zinc/89/08/97/395890897.db2.gz MSPWOCYOILTYGP-JTQLQIEISA-N 0 0 317.324 0.662 50 0 DCAARN COCCN1CCN(CC(=O)N(C)Cc2ccc(C)o2)CC1 ZINC000054188056 395895501 /nfs/dbraw/zinc/89/55/01/395895501.db2.gz JKEMSIXJYLNSJA-UHFFFAOYSA-N 0 0 309.410 0.810 50 0 DCAARN CCOC(=O)[C@@H]1CCCN(Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000054417620 395900095 /nfs/dbraw/zinc/90/00/95/395900095.db2.gz SVHZBZRAFGGLTQ-SNVBAGLBSA-N 0 0 319.365 0.432 50 0 DCAARN CCn1cnnc1CCNC(=O)CSc1nnc(C)s1 ZINC000055383837 395918118 /nfs/dbraw/zinc/91/81/18/395918118.db2.gz JYDJBNTYHWQUDH-UHFFFAOYSA-N 0 0 312.424 0.909 50 0 DCAARN O=C(NCc1nnc2ccc(N3CCCC3)nn21)[C@H]1CCOC1 ZINC000238924145 395923047 /nfs/dbraw/zinc/92/30/47/395923047.db2.gz ULXNYYOEHFEJGC-NSHDSACASA-N 0 0 316.365 0.377 50 0 DCAARN CN(C)C(=O)NCC(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000244884391 395926250 /nfs/dbraw/zinc/92/62/50/395926250.db2.gz YLNSQHQTXMOPOF-MJVIPROJSA-N 0 0 306.366 0.281 50 0 DCAARN C[C@@H](COC(=O)c1ccc2nnn(C)c2c1)N1CCOCC1 ZINC000225690864 395862550 /nfs/dbraw/zinc/86/25/50/395862550.db2.gz BJYCEHGGMRDRCP-NSHDSACASA-N 0 0 304.350 0.846 50 0 DCAARN COC(=O)c1ccc(O)c(NC(=O)CCCS(C)(=O)=O)c1 ZINC000225737578 395862719 /nfs/dbraw/zinc/86/27/19/395862719.db2.gz SHGPVPUTNPVMSM-UHFFFAOYSA-N 0 0 315.347 0.942 50 0 DCAARN COC(=O)[C@@H](O)[C@@H](O)C(=O)OCc1ccc(OC(F)F)cc1 ZINC000225840475 395863721 /nfs/dbraw/zinc/86/37/21/395863721.db2.gz TXPNOKHPICUWDF-VHSXEESVSA-N 0 0 320.244 0.226 50 0 DCAARN CNC(=O)[C@H]1CN(Cc2nnnn2C2CC2)c2ccccc2O1 ZINC000052799490 395870409 /nfs/dbraw/zinc/87/04/09/395870409.db2.gz FBXSUBASDKOMAQ-CYBMUJFWSA-N 0 0 314.349 0.522 50 0 DCAARN CCCCN(C)S(=O)(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000229345178 395873763 /nfs/dbraw/zinc/87/37/63/395873763.db2.gz XIQXMMQHPBAODF-GFCCVEGCSA-N 0 0 315.443 0.971 50 0 DCAARN Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000229727528 395875957 /nfs/dbraw/zinc/87/59/57/395875957.db2.gz HPGAQBSVIYYDTN-DCGLDWPTSA-N 0 0 313.357 0.909 50 0 DCAARN O=C(CN1CCS(=O)(=O)CC1)N1CC[C@@H]1c1ccccc1 ZINC000053085370 395876073 /nfs/dbraw/zinc/87/60/73/395876073.db2.gz OQGBWNOLYHMPKT-CQSZACIVSA-N 0 0 308.403 0.690 50 0 DCAARN CS(=O)(=O)CCNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000057174246 395940147 /nfs/dbraw/zinc/94/01/47/395940147.db2.gz POLWJQUCIICOBC-AWEZNQCLSA-N 0 0 310.419 0.812 50 0 DCAARN O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccccn1 ZINC000060065292 395959557 /nfs/dbraw/zinc/95/95/57/395959557.db2.gz XDHRKQDVCQBNPM-LLVKDONJSA-N 0 0 316.313 0.980 50 0 DCAARN CC(C)NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000064966818 395989725 /nfs/dbraw/zinc/98/97/25/395989725.db2.gz ZUYYBYJKXATSNL-UHFFFAOYSA-N 0 0 322.752 0.723 50 0 DCAARN COc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1 ZINC000065268453 395992517 /nfs/dbraw/zinc/99/25/17/395992517.db2.gz IEBAVJBRWAXWBF-UHFFFAOYSA-N 0 0 314.349 0.992 50 0 DCAARN CN(C[C@@H]1CCCC[C@H]1O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000253369618 396026270 /nfs/dbraw/zinc/02/62/70/396026270.db2.gz FPZNLTJOYRMHSN-SOUVJXGZSA-N 0 0 310.442 0.179 50 0 DCAARN CNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)C[C@H]1CO ZINC000253397123 396026733 /nfs/dbraw/zinc/02/67/33/396026733.db2.gz BJQJRRNGCCBKIA-WDEREUQCSA-N 0 0 310.325 0.261 50 0 DCAARN Cc1ccc(C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2CO)nc1 ZINC000253407251 396026855 /nfs/dbraw/zinc/02/68/55/396026855.db2.gz JRJSVABKVVQLSN-GXTWGEPZSA-N 0 0 313.361 0.407 50 0 DCAARN CCNC(=O)CNC(=O)C(=O)Nc1cc(F)ccc1OCC ZINC000067492472 396027062 /nfs/dbraw/zinc/02/70/62/396027062.db2.gz IWVFYONRPKWGQT-UHFFFAOYSA-N 0 0 311.313 0.415 50 0 DCAARN CCOc1ccccc1CN1C[C@@H](CO)[C@H](NC(=O)COC)C1 ZINC000253407868 396027263 /nfs/dbraw/zinc/02/72/63/396027263.db2.gz KGERNNZROQPZPP-LSDHHAIUSA-N 0 0 322.405 0.641 50 0 DCAARN COc1ccnc(NC2CCN(C(=O)c3cnccn3)CC2)n1 ZINC000253428264 396028811 /nfs/dbraw/zinc/02/88/11/396028811.db2.gz ITEXHDXZXOSZPH-UHFFFAOYSA-N 0 0 314.349 0.992 50 0 DCAARN COC(=O)C1=CNC(=O)C([C@H](CC(N)=O)c2cccnc2)C1=O ZINC000253623696 396031614 /nfs/dbraw/zinc/03/16/14/396031614.db2.gz HKGVVUVJRGLMRE-SECBINFHSA-N 0 0 317.301 0.682 50 0 biogenic DCAARN O=C([C@H]1CCCO1)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000253630017 396031631 /nfs/dbraw/zinc/03/16/31/396031631.db2.gz ZOGSASBNYGSOLO-CYBMUJFWSA-N 0 0 316.423 0.582 50 0 DCAARN C[C@@H]1CN(c2cc(N3CCC[C@H]3C(N)=O)ncn2)C[C@@H](C)O1 ZINC000253603859 396031656 /nfs/dbraw/zinc/03/16/56/396031656.db2.gz NZGBWCATMWNPEU-UTUOFQBUSA-N 0 0 305.382 0.544 50 0 DCAARN Cn1nc(N2CC[C@@H](NC(=O)Cc3ccncc3)C2)ccc1=O ZINC000257185929 396034189 /nfs/dbraw/zinc/03/41/89/396034189.db2.gz JYYBXQUVSCFRAM-CYBMUJFWSA-N 0 0 313.361 0.113 50 0 DCAARN COCc1cc(CN(C)c2nccc(N3CC[C@H](O)C3)n2)[nH]n1 ZINC000067803981 396034410 /nfs/dbraw/zinc/03/44/10/396034410.db2.gz QGRPBKRQBNIVAD-ZDUSSCGKSA-N 0 0 318.381 0.554 50 0 DCAARN CCn1cc(S(=O)(=O)N2CC[C@H](Cc3nncn3C)C2)cn1 ZINC000257186567 396034409 /nfs/dbraw/zinc/03/44/09/396034409.db2.gz KOLNAOAEIUDXHX-LLVKDONJSA-N 0 0 324.410 0.285 50 0 DCAARN Cc1ccccc1N1CCN(C(=O)Cn2nnnc2N)[C@@H](C)C1 ZINC000067868555 396036917 /nfs/dbraw/zinc/03/69/17/396036917.db2.gz JHOCUCRAOSKREX-LBPRGKRZSA-N 0 0 315.381 0.301 50 0 DCAARN CN(C)c1nc2c(c(NCCCN3CCCC3=O)n1)CC[NH2+]C2 ZINC000067872259 396037324 /nfs/dbraw/zinc/03/73/24/396037324.db2.gz VOGDRSIBKCMUKF-UHFFFAOYSA-N 0 0 318.425 0.613 50 0 DCAARN Cc1noc(CN(C)Cc2cnc(N3CCOCC3)nc2)n1 ZINC000067884304 396037782 /nfs/dbraw/zinc/03/77/82/396037782.db2.gz NRXLHDYQVPLKBQ-UHFFFAOYSA-N 0 0 304.354 0.637 50 0 DCAARN CCn1c(CC2CCN(C(=O)[C@@H]3CCOC3)CC2)nn(C)c1=O ZINC000067878466 396038337 /nfs/dbraw/zinc/03/83/37/396038337.db2.gz UZFWCYPCOBUQHU-CYBMUJFWSA-N 0 0 322.409 0.419 50 0 DCAARN CCc1ncnc(NCCNS(=O)(=O)NC(C)C)c1F ZINC000277228045 396056246 /nfs/dbraw/zinc/05/62/46/396056246.db2.gz SLDOGTRGHUTHMN-UHFFFAOYSA-N 0 0 305.379 0.422 50 0 DCAARN CCOc1cccc2c1OC[C@H](C(=O)N[C@@H](CO)COC)C2 ZINC000252479894 396020056 /nfs/dbraw/zinc/02/00/56/396020056.db2.gz BOUWTBNEEOJZBO-OLZOCXBDSA-N 0 0 309.362 0.760 50 0 DCAARN O=C(CNC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)NCCO ZINC000252478648 396020163 /nfs/dbraw/zinc/02/01/63/396020163.db2.gz ARDFNJFKHLQEQE-LLVKDONJSA-N 0 0 322.258 0.941 50 0 DCAARN CCO[C@@H](C)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 ZINC000252487983 396020707 /nfs/dbraw/zinc/02/07/07/396020707.db2.gz IGHCOXIQSDQKNC-JTQLQIEISA-N 0 0 307.350 0.526 50 0 DCAARN CCc1ccnc(CNC(=O)N2CC[C@H](S(C)(=O)=O)C2)c1 ZINC000252491876 396021062 /nfs/dbraw/zinc/02/10/62/396021062.db2.gz LXZDFGVHLOBJQL-ZDUSSCGKSA-N 0 0 311.407 0.973 50 0 DCAARN Nc1n[nH]c(CCNC(=O)c2cn3c4c(cccc4c2=O)CC3)n1 ZINC000252488273 396021104 /nfs/dbraw/zinc/02/11/04/396021104.db2.gz IOLXOQWOGYLEHC-UHFFFAOYSA-N 0 0 324.344 0.230 50 0 DCAARN CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)Nc1nncs1 ZINC000069739191 396088689 /nfs/dbraw/zinc/08/86/89/396088689.db2.gz FYYCPKCXPOCQLP-NEPJUHHUSA-N 0 0 323.422 0.952 50 0 DCAARN Cc1nnc(N2CCN(C(=O)NC3CC3)CC2)c(C(N)=O)c1C ZINC000069769668 396089652 /nfs/dbraw/zinc/08/96/52/396089652.db2.gz PDBPIKLZYYNTQF-UHFFFAOYSA-N 0 0 318.381 0.186 50 0 DCAARN Cc1nnc2ccc(N3CCN(Cc4cnn(C)c4)CC3)nn12 ZINC000069779208 396090430 /nfs/dbraw/zinc/09/04/30/396090430.db2.gz WRQNQFWKPNWKJJ-UHFFFAOYSA-N 0 0 312.381 0.488 50 0 DCAARN Cc1nccn1[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC000069776428 396090461 /nfs/dbraw/zinc/09/04/61/396090461.db2.gz QUNRPFRVVWYACL-GFCCVEGCSA-N 0 0 314.411 0.294 50 0 DCAARN COCCN1CCN(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000069780249 396090485 /nfs/dbraw/zinc/09/04/85/396090485.db2.gz BMYZJHRDFITZJI-UHFFFAOYSA-N 0 0 309.385 0.706 50 0 DCAARN O=C(COc1ccc(Cl)cc1)N1CCc2n[nH]c(=O)n2CC1 ZINC000169783071 396091830 /nfs/dbraw/zinc/09/18/30/396091830.db2.gz VPYDLHVISRZKMM-UHFFFAOYSA-N 0 0 322.752 0.689 50 0 DCAARN COc1ccc(C(=O)NC[C@@H]2Cn3cccc3C(=O)N2C)cn1 ZINC000169779024 396091945 /nfs/dbraw/zinc/09/19/45/396091945.db2.gz NWSDHBZJNWDXCA-GFCCVEGCSA-N 0 0 314.345 0.776 50 0 DCAARN CS(=O)(=O)N(Cc1ccccn1)C1CN(C(=O)C2CCC2)C1 ZINC000169791510 396093496 /nfs/dbraw/zinc/09/34/96/396093496.db2.gz SSSMVAVHUHMWNW-UHFFFAOYSA-N 0 0 323.418 0.854 50 0 DCAARN Cc1cnc(CN2CCN(c3ccc4nncn4n3)CC2)cn1 ZINC000069877158 396093723 /nfs/dbraw/zinc/09/37/23/396093723.db2.gz DOEUYMPYMLBNAZ-UHFFFAOYSA-N 0 0 310.365 0.545 50 0 DCAARN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)NCC(F)(F)F ZINC000170081376 396094258 /nfs/dbraw/zinc/09/42/58/396094258.db2.gz VWTDZPDZRKGZPX-JGVFFNPUSA-N 0 0 317.333 0.708 50 0 DCAARN C[C@H]1C[C@@H](O)CN1c1ccc(S(=O)(=O)NCC2CC2)cn1 ZINC000170088645 396094272 /nfs/dbraw/zinc/09/42/72/396094272.db2.gz DVKPREYTPPPQLT-CMPLNLGQSA-N 0 0 311.407 0.729 50 0 DCAARN C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000069922874 396095131 /nfs/dbraw/zinc/09/51/31/396095131.db2.gz CYKKRSPCLIYHGC-KBPBESRZSA-N 0 0 314.426 0.486 50 0 DCAARN CN(C)c1ccnc(C(=O)N[C@H](CO)Cc2ccccn2)c1 ZINC000170614278 396096026 /nfs/dbraw/zinc/09/60/26/396096026.db2.gz OGXPQXRIDZGRPE-ZDUSSCGKSA-N 0 0 300.362 0.876 50 0 DCAARN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(C1)OCCO2 ZINC000170621522 396096433 /nfs/dbraw/zinc/09/64/33/396096433.db2.gz QOJOECXZSAMJFE-SNVBAGLBSA-N 0 0 300.355 0.875 50 0 DCAARN C[C@@H](C(=O)NCc1ccco1)N1CCO[C@H](Cn2cncn2)C1 ZINC000069979557 396096814 /nfs/dbraw/zinc/09/68/14/396096814.db2.gz NYJDFEYAWNMADR-JSGCOSHPSA-N 0 0 319.365 0.277 50 0 DCAARN CCn1ccnc1CN1CCCN(C(=O)c2cc[nH]n2)CC1 ZINC000070008428 396096819 /nfs/dbraw/zinc/09/68/19/396096819.db2.gz DWGGZUMIOWWZRR-UHFFFAOYSA-N 0 0 302.382 0.974 50 0 DCAARN Cc1noc2nc(C)cc(C(=O)N3CCN(C[C@H](C)O)CC3)c12 ZINC000070016203 396098443 /nfs/dbraw/zinc/09/84/43/396098443.db2.gz GWAULLJWCDEUDZ-NSHDSACASA-N 0 0 318.377 0.978 50 0 DCAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCN(CCO)CC1 ZINC000070040822 396098805 /nfs/dbraw/zinc/09/88/05/396098805.db2.gz QMZLADRIKUOTDE-AWEZNQCLSA-N 0 0 323.412 0.955 50 0 DCAARN O=C(CSc1ccc(-n2cccn2)nn1)N1CCOCC1 ZINC000070635190 396102915 /nfs/dbraw/zinc/10/29/15/396102915.db2.gz CXEAERKJZGBZDI-UHFFFAOYSA-N 0 0 305.363 0.613 50 0 DCAARN Cn1cnc2c1c(=O)n(CCCSc1ncco1)c(=O)n2C ZINC000278052818 396103660 /nfs/dbraw/zinc/10/36/60/396103660.db2.gz UAXVZORUFHLFEW-UHFFFAOYSA-N 0 0 321.362 0.604 50 0 DCAARN O=C(Cn1cnc2sccc2c1=O)N1CCN(C2CC2)CC1 ZINC000071836769 396118014 /nfs/dbraw/zinc/11/80/14/396118014.db2.gz CZIFWKLYSOWDDE-UHFFFAOYSA-N 0 0 318.402 0.765 50 0 DCAARN O=C([C@H]1C[C@H]1c1ccco1)N1CCC2(CC1)NC(=O)NC2=O ZINC000071835219 396118100 /nfs/dbraw/zinc/11/81/00/396118100.db2.gz FCINGVJAAVYYHU-ZJUUUORDSA-N 0 0 303.318 0.584 50 0 DCAARN NS(=O)(=O)CCCS(=O)(=O)Cc1ccccc1Cl ZINC000071847280 396118545 /nfs/dbraw/zinc/11/85/45/396118545.db2.gz JVYSMVXTVQKKDI-UHFFFAOYSA-N 0 0 311.812 0.933 50 0 DCAARN CN(CC(=O)N(C1CC1)C1CCCC1)CC(=O)N1CCOCC1 ZINC000071897216 396124139 /nfs/dbraw/zinc/12/41/39/396124139.db2.gz CPBKASKZROJNIM-UHFFFAOYSA-N 0 0 323.437 0.711 50 0 DCAARN C[C@@H](C(=O)NCCS(C)(=O)=O)N1CCc2ccccc2C1 ZINC000071897896 396124175 /nfs/dbraw/zinc/12/41/75/396124175.db2.gz LALRCQJUIMFCKH-LBPRGKRZSA-N 0 0 310.419 0.594 50 0 DCAARN CCN(CC)S(=O)(=O)N1CCN(c2nc(C)ns2)CC1 ZINC000071924124 396125484 /nfs/dbraw/zinc/12/54/84/396125484.db2.gz WWHPCNBQGXXJNC-UHFFFAOYSA-N 0 0 319.456 0.555 50 0 DCAARN Cc1nn(C)c(C)c1CCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000171868261 396126672 /nfs/dbraw/zinc/12/66/72/396126672.db2.gz DGAGWAPGCMQIBH-LBPRGKRZSA-N 0 0 317.397 0.485 50 0 DCAARN COc1c([C@@H]2CCCN2CCN2C(=O)CNC2=O)c(C)nn1C ZINC000072253749 396128131 /nfs/dbraw/zinc/12/81/31/396128131.db2.gz VZQLMBWGTLAZHV-NSHDSACASA-N 0 0 321.381 0.426 50 0 DCAARN CCc1nc([C@@H]2CCCN2CCNS(=O)(=O)CC)no1 ZINC000072274839 396128977 /nfs/dbraw/zinc/12/89/77/396128977.db2.gz GKUWTULKVUHZOS-JTQLQIEISA-N 0 0 302.400 0.708 50 0 DCAARN CCc1nc([C@H]2CCCN2CCNS(=O)(=O)CC)no1 ZINC000072274840 396129068 /nfs/dbraw/zinc/12/90/68/396129068.db2.gz GKUWTULKVUHZOS-SNVBAGLBSA-N 0 0 302.400 0.708 50 0 DCAARN CON(C)C[C@H](O)Cn1cc(NC(=O)Nc2cc(C)on2)cn1 ZINC000072291877 396129752 /nfs/dbraw/zinc/12/97/52/396129752.db2.gz VTKOBORAXLGWIA-NSHDSACASA-N 0 0 324.341 0.678 50 0 DCAARN C[C@H](Cc1ccccc1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000072290634 396129853 /nfs/dbraw/zinc/12/98/53/396129853.db2.gz CXTFDVUUKXXHAL-BDJLRTHQSA-N 0 0 301.346 0.676 50 0 DCAARN CCCCn1nnnc1CN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000072300115 396130547 /nfs/dbraw/zinc/13/05/47/396130547.db2.gz DYUGCBSWUQNUIV-NSHDSACASA-N 0 0 306.374 0.473 50 0 DCAARN CCn1nc2c(cc1=O)CN(Cc1nnnn1C1CC1)CC2 ZINC000072302169 396130565 /nfs/dbraw/zinc/13/05/65/396130565.db2.gz KQKUVDZKJPXBPM-UHFFFAOYSA-N 0 0 301.354 0.143 50 0 DCAARN Cn1ccnc1CN1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000069349443 396075840 /nfs/dbraw/zinc/07/58/40/396075840.db2.gz JUYRNHKKUUMMKX-UHFFFAOYSA-N 0 0 319.453 0.940 50 0 DCAARN O[C@H](COCc1ccco1)CN1CCO[C@H](Cn2cccn2)C1 ZINC000069372056 396076315 /nfs/dbraw/zinc/07/63/15/396076315.db2.gz HJWSRRACEWBEPS-HOCLYGCPSA-N 0 0 321.377 0.755 50 0 DCAARN O=C(CN1CCO[C@@H](Cn2cccn2)C1)NC(C1CC1)C1CC1 ZINC000069392523 396077223 /nfs/dbraw/zinc/07/72/23/396077223.db2.gz QYSKVVIPRFUHNO-OAHLLOKOSA-N 0 0 318.421 0.889 50 0 DCAARN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cc[nH]n1 ZINC000069416511 396077967 /nfs/dbraw/zinc/07/79/67/396077967.db2.gz IWXLKAYKFTYBNJ-SSDOTTSWSA-N 0 0 300.365 0.777 50 0 DCAARN CCNC(=O)CN1CCN(CC[S@](=O)c2ccccc2)CC1 ZINC000069433321 396078093 /nfs/dbraw/zinc/07/80/93/396078093.db2.gz HURBWPNVUUCOPJ-JOCHJYFZSA-N 0 0 323.462 0.548 50 0 DCAARN C[C@H]1CN(Cc2nnnn2C2CC2)CCN1Cc1nccn1C ZINC000069444234 396078461 /nfs/dbraw/zinc/07/84/61/396078461.db2.gz ONSGNELVTQOVES-LBPRGKRZSA-N 0 0 316.413 0.448 50 0 DCAARN CNC(=O)NC(=O)CN(Cc1cccnc1)C[C@H]1CCCO1 ZINC000069518702 396081299 /nfs/dbraw/zinc/08/12/99/396081299.db2.gz GGCPZSBXCKWZMH-CYBMUJFWSA-N 0 0 306.366 0.518 50 0 DCAARN Cc1nnc2n1CCN(CC(=O)N1CCc3ccccc3C1)C2 ZINC000069531942 396082146 /nfs/dbraw/zinc/08/21/46/396082146.db2.gz MXLAUWCWGOESOG-UHFFFAOYSA-N 0 0 311.389 0.987 50 0 DCAARN CNS(=O)(=O)c1ccc(CNC(=O)c2ncccc2O)cc1 ZINC000069595366 396084828 /nfs/dbraw/zinc/08/48/28/396084828.db2.gz IIVMNFFLPFMZHJ-UHFFFAOYSA-N 0 0 321.358 0.625 50 0 DCAARN Cc1ccc(F)c(-n2nnnc2CN2CCN(CCO)CC2)c1 ZINC000069631552 396085306 /nfs/dbraw/zinc/08/53/06/396085306.db2.gz XCDLYHBDWSTLMU-UHFFFAOYSA-N 0 0 320.372 0.220 50 0 DCAARN Cc1cc(C)c(CNC(=O)N[C@H](C)c2nncn2C)c(=O)[nH]1 ZINC000075117925 396176436 /nfs/dbraw/zinc/17/64/36/396176436.db2.gz FIIUNPZZIZJAHG-SNVBAGLBSA-N 0 0 304.354 0.681 50 0 DCAARN CN1CCN(C2CCN(CC(=O)NCc3ccco3)CC2)C1=O ZINC000075604016 396182564 /nfs/dbraw/zinc/18/25/64/396182564.db2.gz JYLODROCIKICKH-UHFFFAOYSA-N 0 0 320.393 0.728 50 0 DCAARN CCc1nnc(CN2CCO[C@H](CNc3cccnn3)C2)o1 ZINC000076049855 396193895 /nfs/dbraw/zinc/19/38/95/396193895.db2.gz XEIXBEPUJRGXRA-LLVKDONJSA-N 0 0 304.354 0.735 50 0 DCAARN CCN1N=C(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)CCC1=O ZINC000076051998 396195025 /nfs/dbraw/zinc/19/50/25/396195025.db2.gz DZOQGKGAKOPFEK-JSGCOSHPSA-N 0 0 322.409 0.164 50 0 DCAARN O=C(Cc1cnn(-c2ccccc2)c1)N1CCN(CCO)CC1 ZINC000078241564 396240410 /nfs/dbraw/zinc/24/04/10/396240410.db2.gz XREXZKUEZSCDBJ-UHFFFAOYSA-N 0 0 314.389 0.551 50 0 DCAARN Cn1ncc(N2CCN(Cc3ccon3)CC2)c(Cl)c1=O ZINC000078451633 396245110 /nfs/dbraw/zinc/24/51/10/396245110.db2.gz ZYIKCNFOUZUION-UHFFFAOYSA-N 0 0 309.757 0.744 50 0 DCAARN CN(C)C(=O)CCNC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000078593243 396248229 /nfs/dbraw/zinc/24/82/29/396248229.db2.gz CYUUWOAHWLPSKR-CYBMUJFWSA-N 0 0 318.377 0.569 50 0 DCAARN CCOc1nnc(CN2CCO[C@H](Cn3cncn3)C2)s1 ZINC000078783518 396253717 /nfs/dbraw/zinc/25/37/17/396253717.db2.gz XFALQRAHQVKIJN-JTQLQIEISA-N 0 0 310.383 0.429 50 0 DCAARN CS(=O)(=O)CCCN1CCO[C@H](CNc2cccnn2)C1 ZINC000078893414 396256832 /nfs/dbraw/zinc/25/68/32/396256832.db2.gz RIRJQZMKNRIALB-GFCCVEGCSA-N 0 0 314.411 0.024 50 0 DCAARN c1cnnc(NC[C@H]2CN(CCOC[C@@H]3CCCO3)CCO2)c1 ZINC000078893678 396257290 /nfs/dbraw/zinc/25/72/90/396257290.db2.gz OHKDCRGRVFWNIP-GJZGRUSLSA-N 0 0 322.409 0.785 50 0 DCAARN CS(=O)(=O)N1CCO[C@H](Cn2ccnc2-c2ccncc2)C1 ZINC000077298191 396217252 /nfs/dbraw/zinc/21/72/52/396217252.db2.gz VZDHYXIFZTUFOY-CYBMUJFWSA-N 0 0 322.390 0.606 50 0 DCAARN O=C(c1cc(=O)c2ccccc2o1)N1CCOC[C@@H](CO)C1 ZINC000077505908 396225120 /nfs/dbraw/zinc/22/51/20/396225120.db2.gz OISRXFVCBLZUBK-LLVKDONJSA-N 0 0 303.314 0.874 50 0 DCAARN COCC(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000077666399 396228291 /nfs/dbraw/zinc/22/82/91/396228291.db2.gz TXTQXBRZNZQEMB-CQSZACIVSA-N 0 0 308.378 0.217 50 0 DCAARN NC(=O)[C@@]1(O)CCCN(c2nc3ccccc3cc2CO)C1 ZINC000284574865 396345517 /nfs/dbraw/zinc/34/55/17/396345517.db2.gz IYFOXFLMAJQTFK-MRXNPFEDSA-N 0 0 301.346 0.544 50 0 DCAARN CCc1n[nH]c2c1CN(C(=O)c1cc(=O)c(OC)c[nH]1)CC2 ZINC000584890796 396633986 /nfs/dbraw/zinc/63/39/86/396633986.db2.gz ALSWVPLSOIUHLC-UHFFFAOYSA-N 0 0 302.334 0.868 50 0 DCAARN Cc1n[nH]c2c1CN(C(=O)[C@@H]1CSC(C)(C)C(=O)N1)CC2 ZINC000584892155 396634068 /nfs/dbraw/zinc/63/40/68/396634068.db2.gz UBSJDMQKAKPUHJ-NSHDSACASA-N 0 0 308.407 0.613 50 0 DCAARN Cc1nnnn1CCC(=O)N1CCN(CC(F)(F)F)CC1 ZINC000584892343 396634210 /nfs/dbraw/zinc/63/42/10/396634210.db2.gz CNGZXLLJWYJULD-UHFFFAOYSA-N 0 0 306.292 0.078 50 0 DCAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CCn1cnnn1 ZINC000584893961 396634471 /nfs/dbraw/zinc/63/44/71/396634471.db2.gz ROSKKYQCLTYJSC-LLVKDONJSA-N 0 0 303.322 0.362 50 0 DCAARN CN(Cc1nncn1C)C(=O)c1ccc(-c2nnn(C)n2)cc1 ZINC000584897327 396635263 /nfs/dbraw/zinc/63/52/63/396635263.db2.gz YCRHIENEJSXBTL-UHFFFAOYSA-N 0 0 312.337 0.278 50 0 DCAARN CN1CCc2n[nH]c(C(=O)N[C@@H]3CCc4c[nH]nc4C3)c2C1 ZINC000584896670 396635364 /nfs/dbraw/zinc/63/53/64/396635364.db2.gz VPBZADCVHUTASF-SNVBAGLBSA-N 0 0 300.366 0.408 50 0 DCAARN CC(=O)Cn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000585158434 396642225 /nfs/dbraw/zinc/64/22/25/396642225.db2.gz KAQHGZAPNZZBCV-UHFFFAOYSA-N 0 0 319.365 0.805 50 0 DCAARN CNc1cc(C(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)ccn1 ZINC000299760782 396713743 /nfs/dbraw/zinc/71/37/43/396713743.db2.gz XGQFAZZUULGJSS-STQMWFEESA-N 0 0 314.349 0.701 50 0 DCAARN CN(CCN1CCNC1=O)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000377306689 397063922 /nfs/dbraw/zinc/06/39/22/397063922.db2.gz DBHISOSBGHSBBV-LBPRGKRZSA-N 0 0 309.391 0.472 50 0 DCAARN Cc1cc(C)nc(O[C@H]2CCN(C(=O)Cn3cccn3)C2)n1 ZINC000390827582 397303399 /nfs/dbraw/zinc/30/33/99/397303399.db2.gz HZZZMFFKTXXXMJ-ZDUSSCGKSA-N 0 0 301.350 0.970 50 0 DCAARN O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1cccnc1 ZINC000390829717 397303624 /nfs/dbraw/zinc/30/36/24/397303624.db2.gz GBOHGAOTYBUEGR-LBPRGKRZSA-N 0 0 309.333 0.528 50 0 DCAARN COc1c[nH]c(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1=O ZINC000604419046 397639470 /nfs/dbraw/zinc/63/94/70/397639470.db2.gz OWVDJBIUUPJXFE-UHFFFAOYSA-N 0 0 312.289 0.612 50 0 DCAARN CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)N1CCSCC1 ZINC000058266948 285864795 /nfs/dbraw/zinc/86/47/95/285864795.db2.gz CQTWRUYHWDIOIU-NSHDSACASA-N 0 0 322.452 0.698 50 0 DCAARN CCOCCC(=O)N[C@H]1C[N@H+](CCC(=O)[O-])C[C@@H]1C(C)C ZINC000092096641 286039220 /nfs/dbraw/zinc/03/92/20/286039220.db2.gz GBQJPVODYYZOPR-OLZOCXBDSA-N 0 0 300.399 0.960 50 0 DCAARN COc1c2c(c(NS(C)(=O)=O)c3c1CN(C)CC3)OCO2 ZINC000032124356 286188360 /nfs/dbraw/zinc/18/83/60/286188360.db2.gz WZHOVUBMCFBSHU-UHFFFAOYSA-N 0 0 314.363 0.783 50 0 biogenic DCAARN COc1ccccc1CCNC(=O)C(=O)Nc1c[nH]ccc1=O ZINC000044901381 286496505 /nfs/dbraw/zinc/49/65/05/286496505.db2.gz OCPJTYOVJDRLIP-UHFFFAOYSA-N 0 0 315.329 0.681 50 0 DCAARN COCCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000096181763 292362786 /nfs/dbraw/zinc/36/27/86/292362786.db2.gz QYTDEPOKOXXABA-GJZGRUSLSA-N 0 0 324.352 0.877 50 0 DCAARN O=C(NCc1cscn1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111846171 158142952 /nfs/dbraw/zinc/14/29/52/158142952.db2.gz AHTVLHIUWBYCAV-LBPRGKRZSA-N 0 0 307.379 0.950 50 0 DCAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC1 ZINC000071794575 286669390 /nfs/dbraw/zinc/66/93/90/286669390.db2.gz JISCTWDJLNABRL-CQSZACIVSA-N 0 0 308.403 0.995 50 0 DCAARN O=c1c2c(ncn1Cc1nnnn1CC(F)(F)F)CCC2 ZINC000330265518 159155716 /nfs/dbraw/zinc/15/57/16/159155716.db2.gz ZJELXYLWIGGFPF-UHFFFAOYSA-N 0 0 300.244 0.329 50 0 DCAARN CCCCn1nnnc1CN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000069455592 286909439 /nfs/dbraw/zinc/90/94/39/286909439.db2.gz XZSRWZOICXWSDM-AWEZNQCLSA-N 0 0 319.413 0.879 50 0 DCAARN CN1CCN(CN2c3ccccc3C3(OCCO3)C2=O)CC1 ZINC000020421504 415152449 /nfs/dbraw/zinc/15/24/49/415152449.db2.gz DRYPNJPCICAJCK-UHFFFAOYSA-N 0 0 303.362 0.438 50 0 DCAARN CN(C)S(=O)(=O)N1CCN(C(=O)Cc2ccsc2)CC1 ZINC000025206408 415162766 /nfs/dbraw/zinc/16/27/66/415162766.db2.gz HITGFRBMTDPYOL-UHFFFAOYSA-N 0 0 317.436 0.241 50 0 DCAARN COC(=O)C1=C2C(=O)N(c3ccccc3C)C(=O)[C@@]2(C)NN1 ZINC000000174481 415125486 /nfs/dbraw/zinc/12/54/86/415125486.db2.gz HHUDOYVDEPXEQL-BMIGLBTASA-N 0 0 301.302 0.375 50 0 DCAARN Cc1cccc(NCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1C ZINC000003363003 415130504 /nfs/dbraw/zinc/13/05/04/415130504.db2.gz JENDXUQVOYTXAD-UHFFFAOYSA-N 0 0 316.361 0.578 50 0 DCAARN CN(C)c1nc(OCC(F)(F)F)nc(N2CCOCC2)n1 ZINC000004590553 415130833 /nfs/dbraw/zinc/13/08/33/415130833.db2.gz XBNJOXKNKCLXQL-UHFFFAOYSA-N 0 0 307.276 0.715 50 0 DCAARN CCCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000005147983 415133705 /nfs/dbraw/zinc/13/37/05/415133705.db2.gz YFTYJMDHLSPZLJ-JTQLQIEISA-N 0 0 318.381 0.991 50 0 DCAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cnnn1 ZINC000006882272 415134162 /nfs/dbraw/zinc/13/41/62/415134162.db2.gz JIBMXWPBRZCRRF-UHFFFAOYSA-N 0 0 303.322 0.493 50 0 DCAARN C[C@]1(NC(=O)c2cnc3ccccc3n2)CCS(=O)(=O)C1 ZINC000006848734 415134824 /nfs/dbraw/zinc/13/48/24/415134824.db2.gz AYKXIIIASQDNPO-AWEZNQCLSA-N 0 0 305.359 0.937 50 0 DCAARN CCCCNC(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C ZINC000007024302 415137345 /nfs/dbraw/zinc/13/73/45/415137345.db2.gz HKUJRRXXURWJGM-UHFFFAOYSA-N 0 0 316.427 0.667 50 0 DCAARN CN(C)S(=O)(=O)c1cccc(C(=O)O[C@@H]2CCOC2=O)c1 ZINC000007655359 415139430 /nfs/dbraw/zinc/13/94/30/415139430.db2.gz UYHAAMVUZMTHQC-LLVKDONJSA-N 0 0 313.331 0.409 50 0 DCAARN CCc1c(C)nc(N2CCN(c3ncccn3)CC2)[nH]c1=O ZINC000009095254 415146640 /nfs/dbraw/zinc/14/66/40/415146640.db2.gz YBEDTVXVVZQFRP-UHFFFAOYSA-N 0 0 300.366 0.757 50 0 DCAARN Cc1nc(SCC(=O)N2CCN(c3ncccn3)CC2)n[nH]1 ZINC000011706800 415147985 /nfs/dbraw/zinc/14/79/85/415147985.db2.gz IVPMZVAZJXFNFF-UHFFFAOYSA-N 0 0 319.394 0.344 50 0 DCAARN CCCN(CC(=O)NC(=O)NC)C[C@H]1COc2ccccc2O1 ZINC000026663663 415166639 /nfs/dbraw/zinc/16/66/39/415166639.db2.gz MJRYTOQNTDJLSD-LBPRGKRZSA-N 0 0 321.377 0.994 50 0 DCAARN CC(C)[C@@H](CNC(=O)C1=NN(C)C(=O)CC1)N1CCOCC1 ZINC000042029027 415208085 /nfs/dbraw/zinc/20/80/85/415208085.db2.gz SXQVNVNVBVVECN-CYBMUJFWSA-N 0 0 310.398 0.068 50 0 DCAARN CC(C)n1nccc1NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000043451465 415215466 /nfs/dbraw/zinc/21/54/66/415215466.db2.gz HZFXNYQQXLVFEU-UHFFFAOYSA-N 0 0 315.399 0.573 50 0 DCAARN Cc1ccc(=O)n(CC(=O)NCCOc2ccc(F)cc2)n1 ZINC000044394558 415220079 /nfs/dbraw/zinc/22/00/79/415220079.db2.gz NYBRMKVDRVWGMZ-UHFFFAOYSA-N 0 0 305.309 0.886 50 0 DCAARN O=C(NCCNc1cnccn1)c1ccc2c(c1)OCC(=O)N2 ZINC000044911171 415232689 /nfs/dbraw/zinc/23/26/89/415232689.db2.gz QRYBXFGHRIOSQS-UHFFFAOYSA-N 0 0 313.317 0.649 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)c1cnn(C)c1-n1cccc1 ZINC000044940313 415236420 /nfs/dbraw/zinc/23/64/20/415236420.db2.gz YPEVIEPLTOBFEE-CYBMUJFWSA-N 0 0 317.393 0.661 50 0 DCAARN Cc1ccc(S(=O)(=O)Cc2nc(N)nc(N(C)C)n2)cc1 ZINC000044947289 415236737 /nfs/dbraw/zinc/23/67/37/415236737.db2.gz CTGIJEGHMJJMLO-UHFFFAOYSA-N 0 0 307.379 0.802 50 0 DCAARN Cn1c(CN2CCOc3ccccc3C2)cc(=O)n(C)c1=O ZINC000044976924 415237362 /nfs/dbraw/zinc/23/73/62/415237362.db2.gz GUTASQUKBZNSMG-UHFFFAOYSA-N 0 0 301.346 0.479 50 0 DCAARN O=C(Cn1ccc(=O)[nH]c1=O)NCC1(c2ccc(F)cc2)CC1 ZINC000044954911 415237598 /nfs/dbraw/zinc/23/75/98/415237598.db2.gz FHPNRFDTFIAGLU-UHFFFAOYSA-N 0 0 317.320 0.524 50 0 DCAARN C[C@@H]1CN(C(=O)NC2CCN(c3ncccn3)CC2)CCO1 ZINC000044968316 415239854 /nfs/dbraw/zinc/23/98/54/415239854.db2.gz WVWINDPLAUIBPV-GFCCVEGCSA-N 0 0 305.382 0.876 50 0 DCAARN CCCn1nnnc1CN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000044950533 415240509 /nfs/dbraw/zinc/24/05/09/415240509.db2.gz ZZLVNEZOIDVZTP-ZDUSSCGKSA-N 0 0 306.414 0.821 50 0 DCAARN O=C(NCCC(=O)N1CCOCC1)NCc1ccccc1F ZINC000046071829 415256250 /nfs/dbraw/zinc/25/62/50/415256250.db2.gz AJPLVFFSSCEAMI-UHFFFAOYSA-N 0 0 309.341 0.874 50 0 DCAARN O=C(CS(=O)(=O)Cc1ccccc1)N[C@@H]1CCCCNC1=O ZINC000046107580 415256829 /nfs/dbraw/zinc/25/68/29/415256829.db2.gz RQLBOKPFYLSYEC-CYBMUJFWSA-N 0 0 324.402 0.386 50 0 DCAARN Cc1nn(C)c(Cl)c1C(=O)N[C@H](C)CN1CCOCC1 ZINC000046884732 415264366 /nfs/dbraw/zinc/26/43/66/415264366.db2.gz RTOXTGWZKJXJCR-SECBINFHSA-N 0 0 300.790 0.832 50 0 DCAARN CCOc1ncccc1NC(=O)NCC1(C(N)=O)CCOCC1 ZINC000047047279 415266113 /nfs/dbraw/zinc/26/61/13/415266113.db2.gz JMSBFIPBKVGSCU-UHFFFAOYSA-N 0 0 322.365 0.884 50 0 DCAARN C[C@@H]1CN(CCNC(=O)NCCNc2ccccn2)C[C@H](C)O1 ZINC000047500800 415269381 /nfs/dbraw/zinc/26/93/81/415269381.db2.gz ZSHFACDTXRQOKJ-OKILXGFUSA-N 0 0 321.425 0.902 50 0 DCAARN C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(N)=O)C1=O ZINC000047357880 415270663 /nfs/dbraw/zinc/27/06/63/415270663.db2.gz HCWGPLLWSZCGGX-LBPRGKRZSA-N 0 0 315.251 0.958 50 0 DCAARN COCCNC(=O)[C@H](C)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000047660383 415279979 /nfs/dbraw/zinc/27/99/79/415279979.db2.gz CMJLQOUZBDBSLM-QMMMGPOBSA-N 0 0 307.318 0.890 50 0 DCAARN NC(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000048036426 415282720 /nfs/dbraw/zinc/28/27/20/415282720.db2.gz WJUJTRFLWWNTHT-SNVBAGLBSA-N 0 0 316.810 0.921 50 0 DCAARN CC[C@H](C)NC(=O)CN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000044744121 415223918 /nfs/dbraw/zinc/22/39/18/415223918.db2.gz PXSIFIQRZZKYKL-NWDGAFQWSA-N 0 0 309.414 0.971 50 0 DCAARN Cc1cc(CN2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)on1 ZINC000044890414 415227842 /nfs/dbraw/zinc/22/78/42/415227842.db2.gz DVQWRMAQPWWGQF-UHFFFAOYSA-N 0 0 319.365 0.235 50 0 DCAARN O=C(NCCc1ccc(O)cc1)C(=O)Nc1c[nH]ccc1=O ZINC000044893099 415229877 /nfs/dbraw/zinc/22/98/77/415229877.db2.gz UUMRHKRRSIHBHK-UHFFFAOYSA-N 0 0 301.302 0.378 50 0 DCAARN CCN(CC)S(=O)(=O)N1CCN(Cc2cccnc2)CC1 ZINC000044907245 415230203 /nfs/dbraw/zinc/23/02/03/415230203.db2.gz SLARLUCHOGFLTQ-UHFFFAOYSA-N 0 0 312.439 0.786 50 0 DCAARN CCN(C[C@H]1CCOC1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000048286919 415288640 /nfs/dbraw/zinc/28/86/40/415288640.db2.gz LGJDWFUWUINSOV-VXGBXAGGSA-N 0 0 304.412 0.489 50 0 DCAARN CCCn1nc(C(=O)N2CCCC[C@H]2C(=O)NC)ccc1=O ZINC000048312902 415289047 /nfs/dbraw/zinc/28/90/47/415289047.db2.gz ARJOKADOFXCPDG-LBPRGKRZSA-N 0 0 306.366 0.394 50 0 DCAARN CCCn1c(CCC(=O)NC)nc2cc(S(N)(=O)=O)ccc21 ZINC000048314246 415291290 /nfs/dbraw/zinc/29/12/90/415291290.db2.gz OKOCGWLTKNCPEB-UHFFFAOYSA-N 0 0 324.406 0.772 50 0 DCAARN Cc1cc(C)n(CC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)n1 ZINC000048353991 415291729 /nfs/dbraw/zinc/29/17/29/415291729.db2.gz RBQMJVFSJMHFAO-LBPRGKRZSA-N 0 0 314.411 0.040 50 0 DCAARN CC(=O)N1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000049934958 415307465 /nfs/dbraw/zinc/30/74/65/415307465.db2.gz MYRWKTXKATWCBF-UHFFFAOYSA-N 0 0 316.405 0.989 50 0 DCAARN Cc1cc(C(=O)N2CCO[C@@H](C)C2)cc(S(N)(=O)=O)c1C ZINC000054133590 415324544 /nfs/dbraw/zinc/32/45/44/415324544.db2.gz OTBBLCVMDXYGLE-JTQLQIEISA-N 0 0 312.391 0.812 50 0 DCAARN Cc1cc(C(=O)N2CCO[C@H](C)C2)cc(S(N)(=O)=O)c1C ZINC000054133588 415325211 /nfs/dbraw/zinc/32/52/11/415325211.db2.gz OTBBLCVMDXYGLE-SNVBAGLBSA-N 0 0 312.391 0.812 50 0 DCAARN O=C(CN(Cc1ccco1)C1CCCC1)N1CCNC(=O)C1 ZINC000065549221 415357576 /nfs/dbraw/zinc/35/75/76/415357576.db2.gz KMGTUYAUXUNRQJ-UHFFFAOYSA-N 0 0 305.378 0.983 50 0 DCAARN CCCS(=O)(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000069627229 415400343 /nfs/dbraw/zinc/40/03/43/415400343.db2.gz PISOYFVXDGJWEH-LLVKDONJSA-N 0 0 302.371 0.799 50 0 DCAARN CCCCn1nnnc1CN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000069455594 415400398 /nfs/dbraw/zinc/40/03/98/415400398.db2.gz XZSRWZOICXWSDM-CQSZACIVSA-N 0 0 319.413 0.879 50 0 DCAARN Cc1cccc(CN2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)c1 ZINC000072408722 415416413 /nfs/dbraw/zinc/41/64/13/415416413.db2.gz OAXAYNVAMYNBNB-CQSZACIVSA-N 0 0 302.378 0.321 50 0 DCAARN Cc1c(C(=O)N2[C@@H]3CC[C@H]2CN(C)C(=O)C3)cnc2ccnn21 ZINC000067605561 415377963 /nfs/dbraw/zinc/37/79/63/415377963.db2.gz SFCGAVVREOTOPG-NEPJUHHUSA-N 0 0 313.361 0.873 50 0 DCAARN O=C([O-])c1c2c(sc1S(=O)(=O)NCC1CC1)C[NH2+]CC2 ZINC000067741635 415386827 /nfs/dbraw/zinc/38/68/27/415386827.db2.gz NPOGWMNEYQFDEX-UHFFFAOYSA-N 0 0 316.404 0.780 50 0 DCAARN Cc1noc(CN2CCN(Cc3nnnn3C(C)C)CC2)n1 ZINC000084286729 415496383 /nfs/dbraw/zinc/49/63/83/415496383.db2.gz LHKIMBBRNQBAFI-UHFFFAOYSA-N 0 0 306.374 0.263 50 0 DCAARN C[C@H]1CN(C(=O)CN2CCC(N3CCN(C)C3=O)CC2)CCO1 ZINC000075131502 415436506 /nfs/dbraw/zinc/43/65/06/415436506.db2.gz CCVYHBIOYDPFTK-ZDUSSCGKSA-N 0 0 324.425 0.066 50 0 DCAARN O=S(=O)(c1cccnc1)N1CCN(CCn2ccnc2)CC1 ZINC000075158038 415437033 /nfs/dbraw/zinc/43/70/33/415437033.db2.gz HIVBFMLCIHZBST-UHFFFAOYSA-N 0 0 321.406 0.285 50 0 DCAARN O=C(CN1CSCC1=O)N1CCCN(c2cccnn2)CC1 ZINC000075129180 415437594 /nfs/dbraw/zinc/43/75/94/415437594.db2.gz LLJJMLJLARNSAL-UHFFFAOYSA-N 0 0 321.406 0.048 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000075120283 415437704 /nfs/dbraw/zinc/43/77/04/415437704.db2.gz GGJBYJWENBJWQY-GFCCVEGCSA-N 0 0 311.341 0.989 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000075125437 415438325 /nfs/dbraw/zinc/43/83/25/415438325.db2.gz OKUQAEXQTGUZII-VIFPVBQESA-N 0 0 301.302 0.582 50 0 DCAARN C[C@@](O)(CNC(=O)C(=O)NCC(F)(F)F)c1cccs1 ZINC000075155959 415438844 /nfs/dbraw/zinc/43/88/44/415438844.db2.gz HEMYZOYOCSDCJS-SNVBAGLBSA-N 0 0 310.297 0.750 50 0 DCAARN C[C@H](O)CN1CCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1 ZINC000075602897 415446789 /nfs/dbraw/zinc/44/67/89/415446789.db2.gz SITIEBBGDQFBMC-ZDUSSCGKSA-N 0 0 315.377 0.406 50 0 DCAARN Cn1cc(C(=O)CCC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cn1 ZINC000280269362 415540651 /nfs/dbraw/zinc/54/06/51/415540651.db2.gz VNWXKQWVTKRPNB-LBPRGKRZSA-N 0 0 319.283 0.909 50 0 DCAARN CN1C(=O)C[C@@H](C(=O)[O-])C12CC[NH+](Cc1ccncc1)CC2 ZINC000095355522 415551553 /nfs/dbraw/zinc/55/15/53/415551553.db2.gz WXCMWAFRISTNGF-ZDUSSCGKSA-N 0 0 303.362 0.979 50 0 DCAARN CC(=O)N1CCC[C@@H](C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)C1 ZINC000095371788 415555261 /nfs/dbraw/zinc/55/52/61/415555261.db2.gz SUPWNLVIXACKBS-GFCCVEGCSA-N 0 0 318.377 0.189 50 0 DCAARN CN(Cc1cc[nH]n1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000095375618 415556965 /nfs/dbraw/zinc/55/69/65/415556965.db2.gz YBOALYZXQSZWRX-LBPRGKRZSA-N 0 0 313.361 0.812 50 0 DCAARN CC(=O)N[C@@H]1CCCN(C(=O)CCS(=O)(=O)CC(C)C)C1 ZINC000095950694 415562226 /nfs/dbraw/zinc/56/22/26/415562226.db2.gz SIFLPDZTQGLLLW-CYBMUJFWSA-N 0 0 318.439 0.574 50 0 DCAARN CCc1nn(C)c(CC)c1S(=O)(=O)N1CC(N(C)C)C1 ZINC000096010035 415570744 /nfs/dbraw/zinc/57/07/44/415570744.db2.gz IIACZSAIROPZKW-UHFFFAOYSA-N 0 0 300.428 0.479 50 0 DCAARN COCCNC(=O)CNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000096407455 415577038 /nfs/dbraw/zinc/57/70/38/415577038.db2.gz WBCXQFNEBBXAFS-ZJUUUORDSA-N 0 0 312.316 0.947 50 0 DCAARN C[C@@H](O)CNC(=O)c1cccc(OCCCN2CCOCC2)c1 ZINC000097117390 415586785 /nfs/dbraw/zinc/58/67/85/415586785.db2.gz ZYABMQCCXPOPGR-CQSZACIVSA-N 0 0 322.405 0.898 50 0 DCAARN O=C(c1nccn1C[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000097114089 415586960 /nfs/dbraw/zinc/58/69/60/415586960.db2.gz NZTRSNKPUQDQRS-HNNXBMFYSA-N 0 0 315.373 0.807 50 0 DCAARN O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1CCc2nccn2C1 ZINC000097197592 415588279 /nfs/dbraw/zinc/58/82/79/415588279.db2.gz VRZHPGPTAXTTBL-LLVKDONJSA-N 0 0 312.329 0.922 50 0 DCAARN Cc1n[nH]c(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)c1Cl ZINC000097743444 415590472 /nfs/dbraw/zinc/59/04/72/415590472.db2.gz JMZNHKZPHJFQQH-RYUDHWBXSA-N 0 0 300.790 0.249 50 0 DCAARN O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CNC(=O)N1 ZINC000107580479 415669550 /nfs/dbraw/zinc/66/95/50/415669550.db2.gz UDEBEGXEHVLHES-TVQRCGJNSA-N 0 0 324.331 0.589 50 0 DCAARN CC1(C)C(=O)NCCN1C(=O)c1cn(-c2ccc(F)cc2)nn1 ZINC000110708639 415687835 /nfs/dbraw/zinc/68/78/35/415687835.db2.gz RNKYACVWAVHRLG-UHFFFAOYSA-N 0 0 317.324 0.757 50 0 DCAARN Cc1ccc2[nH]c(COCC(=O)NC[C@@H]3COCCO3)nc2c1 ZINC000299761611 416064849 /nfs/dbraw/zinc/06/48/49/416064849.db2.gz LULPJQZGLYMPDI-GFCCVEGCSA-N 0 0 319.361 0.920 50 0 DCAARN Nc1nc([C@H]2CCOC2)cc(N2CCc3n[nH]c(CO)c3C2)n1 ZINC000299762528 416065604 /nfs/dbraw/zinc/06/56/04/416065604.db2.gz WYOOEOBAPMEHLN-VIFPVBQESA-N 0 0 316.365 0.341 50 0 DCAARN Cc1csc([C@@H](C)CNC(=O)Cn2cc(C)c(=O)[nH]c2=O)n1 ZINC000299778351 416066851 /nfs/dbraw/zinc/06/68/51/416066851.db2.gz OSRXAKLARJJMOW-QMMMGPOBSA-N 0 0 322.390 0.942 50 0 DCAARN CCCc1nc(CNC(=O)c2cn(C)c(=O)[nH]c2=O)cs1 ZINC000299780052 416067114 /nfs/dbraw/zinc/06/71/14/416067114.db2.gz OVRJAEIYWUDTEY-UHFFFAOYSA-N 0 0 308.363 0.825 50 0 DCAARN CCc1cc(C(=O)NCCc2nncn2CCOC)cc(=O)[nH]1 ZINC000299798505 416070555 /nfs/dbraw/zinc/07/05/55/416070555.db2.gz SRDLJKPLTWMTFX-UHFFFAOYSA-N 0 0 319.365 0.560 50 0 DCAARN CCCn1ncc(C(=O)N2CCN(c3nc[nH]n3)CC2)c1C ZINC000299800907 416070928 /nfs/dbraw/zinc/07/09/28/416070928.db2.gz WKUOKVAYHHEVDJ-UHFFFAOYSA-N 0 0 303.370 0.682 50 0 DCAARN CCc1nc(C)c(CNC(=O)[C@H]2CCC(=O)NC(=O)N2)s1 ZINC000299795938 416071691 /nfs/dbraw/zinc/07/16/91/416071691.db2.gz NHEWXAKQADGRDO-MRVPVSSYSA-N 0 0 310.379 0.618 50 0 DCAARN C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)[C@@H](c2ccccc2)CO1 ZINC000182243913 416216479 /nfs/dbraw/zinc/21/64/79/416216479.db2.gz RPNMUJOVQPBPNO-TZMCWYRMSA-N 0 0 316.361 0.570 50 0 DCAARN CO[C@@H](C)CS(=O)(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000195111266 416325066 /nfs/dbraw/zinc/32/50/66/416325066.db2.gz URKZKPDSDNKIHV-NWDGAFQWSA-N 0 0 314.411 0.400 50 0 DCAARN Cn1cccc(C(=O)N2CC[C@H](Oc3cnccn3)C2)c1=O ZINC000225791987 416327770 /nfs/dbraw/zinc/32/77/70/416327770.db2.gz DTQMUOKFCDKAOR-NSHDSACASA-N 0 0 300.318 0.469 50 0 DCAARN C[C@@H]1CC[C@H](NC(=O)N2CCC(CS(N)(=O)=O)CC2)C1 ZINC000225699786 416327783 /nfs/dbraw/zinc/32/77/83/416327783.db2.gz UEDYRMIKPYMYEU-PWSUYJOCSA-N 0 0 303.428 0.885 50 0 DCAARN O=C([O-])C[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000238162940 416329713 /nfs/dbraw/zinc/32/97/13/416329713.db2.gz YXYFMOOZVUQEFG-CQSZACIVSA-N 0 0 303.362 0.494 50 0 DCAARN COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CCC[NH2+][C@H]1C ZINC000239882228 416329971 /nfs/dbraw/zinc/32/99/71/416329971.db2.gz DAOZRIMHJKOTOH-YUMQZZPRSA-N 0 0 319.408 0.349 50 0 DCAARN COC(=O)c1cccc(C(=O)CN2C(=O)NC(C)(C)C2=O)c1 ZINC000241124313 416330157 /nfs/dbraw/zinc/33/01/57/416330157.db2.gz JHFUBFZUEPCNOL-UHFFFAOYSA-N 0 0 304.302 0.986 50 0 DCAARN Cc1cccc(OC[C@H](O)CN(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000239352620 416330209 /nfs/dbraw/zinc/33/02/09/416330209.db2.gz ACTKNOLLKBLYSD-UONOGXRCSA-N 0 0 313.419 0.854 50 0 DCAARN CCN(Cc1nc2ncccn2n1)Cc1nc(COC)no1 ZINC000243932299 416330351 /nfs/dbraw/zinc/33/03/51/416330351.db2.gz BUNRYHDERXBSCD-UHFFFAOYSA-N 0 0 303.326 0.676 50 0 DCAARN O=C(CN1Cc2cnn(CCO)c2C1)NCc1ccccc1 ZINC000244718892 416330634 /nfs/dbraw/zinc/33/06/34/416330634.db2.gz LSVMRJKULPUDEN-UHFFFAOYSA-N 0 0 300.362 0.507 50 0 DCAARN CS(=O)(=O)NC1CCN(CCn2cc(Cl)cn2)CC1 ZINC000244795465 416331082 /nfs/dbraw/zinc/33/10/82/416331082.db2.gz RGWGSXXHZOGSIE-UHFFFAOYSA-N 0 0 306.819 0.550 50 0 DCAARN O=C(NCc1noc(C2CC2)n1)c1ccc(-n2cnnn2)cc1 ZINC000535015994 416512000 /nfs/dbraw/zinc/51/20/00/416512000.db2.gz GDYKPSBZAXNTAN-UHFFFAOYSA-N 0 0 311.305 0.853 50 0 DCAARN Cc1n[nH]c(C)c1CCNS(=O)(=O)c1c(C)nn(C)c1C ZINC000585114779 416518167 /nfs/dbraw/zinc/51/81/67/416518167.db2.gz YQSHARSEDQEVPF-UHFFFAOYSA-N 0 0 311.411 0.898 50 0 DCAARN CC(C)(C)CN1CCC[C@H](N2C[C@@H](O)[C@H](n3ccnn3)C2)C1=O ZINC000585116505 416518817 /nfs/dbraw/zinc/51/88/17/416518817.db2.gz ZAKIQWPVPWLLJJ-BFHYXJOUSA-N 0 0 321.425 0.533 50 0 DCAARN CCOC(=O)c1cnc(NCCn2cnccc2=O)nc1C ZINC000585141982 416520382 /nfs/dbraw/zinc/52/03/82/416520382.db2.gz KJNDKJUWMUYQJG-UHFFFAOYSA-N 0 0 303.322 0.631 50 0 DCAARN Cc1ncc(C(=O)NCCc2nc(N)n[nH]2)c(-c2ccccc2)n1 ZINC000426651339 416777849 /nfs/dbraw/zinc/77/78/49/416777849.db2.gz NROBKUAODLEHLJ-UHFFFAOYSA-N 0 0 323.360 1.125 50 0 DCAARN O=C1Nc2ccccc2C[C@H]1NS(=O)(=O)C[C@H]1CCOC1 ZINC000528541684 417357635 /nfs/dbraw/zinc/35/76/35/417357635.db2.gz IOUAGRVYULYICG-GXFFZTMASA-N 0 0 310.375 0.506 50 0 DCAARN COC1CCN(S(=O)(=O)NCC[C@H]2CCCOC2)CC1 ZINC000528448670 417342179 /nfs/dbraw/zinc/34/21/79/417342179.db2.gz IURMFNSFSLBXMQ-GFCCVEGCSA-N 0 0 306.428 0.748 50 0 DCAARN OC[C@H]1CCC2(CCOCC2)CN1Cc1nnnn1C1CC1 ZINC000528634790 417371839 /nfs/dbraw/zinc/37/18/39/417371839.db2.gz LSCOCPDDJBLLKQ-CYBMUJFWSA-N 0 0 307.398 0.762 50 0 DCAARN CN(C)S(=O)(=O)N1CCC2(CC1)CCC(=O)N(C)CC2 ZINC000575543159 417539314 /nfs/dbraw/zinc/53/93/14/417539314.db2.gz OHJSDBZAEBFSCA-UHFFFAOYSA-N 0 0 303.428 0.517 50 0 DCAARN COCCC1(NS(C)(=O)=O)CCN(C(=O)CC(C)C)CC1 ZINC000575545810 417539438 /nfs/dbraw/zinc/53/94/38/417539438.db2.gz MXUJOMFSKOPQIV-UHFFFAOYSA-N 0 0 320.455 0.979 50 0 DCAARN COc1ccccc1CC(=O)NCc1nc(OC)nc(OC)n1 ZINC000575603228 417539527 /nfs/dbraw/zinc/53/95/27/417539527.db2.gz AZAGJZWCOYMOHI-UHFFFAOYSA-N 0 0 318.333 0.756 50 0 DCAARN CN(C)c1nc(CNC(=O)/C=C/c2ccco2)nc(N(C)C)n1 ZINC000575607440 417540820 /nfs/dbraw/zinc/54/08/20/417540820.db2.gz NJFROILRMYWNOJ-BQYQJAHWSA-N 0 0 316.365 0.926 50 0 DCAARN O=C(NCCOCCN1C(=O)CCC1=O)OCc1cccnc1 ZINC000575620538 417540842 /nfs/dbraw/zinc/54/08/42/417540842.db2.gz UGZXKXDQVAKYEL-UHFFFAOYSA-N 0 0 321.333 0.473 50 0 DCAARN COC(=O)c1ccc(C(=O)NCCN2C(=O)COC2=O)cc1 ZINC000575617256 417540857 /nfs/dbraw/zinc/54/08/57/417540857.db2.gz VCCKPLBZEASLSN-UHFFFAOYSA-N 0 0 306.274 0.182 50 0 DCAARN O=C1COC(=O)N1CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000575616347 417541889 /nfs/dbraw/zinc/54/18/89/417541889.db2.gz LKVIUGCNMLBFQH-UHFFFAOYSA-N 0 0 320.273 0.222 50 0 DCAARN Cc1nc(C)c(C(=O)N2CCN(Cc3nc[nH]n3)CC2)s1 ZINC000652903569 417995210 /nfs/dbraw/zinc/99/52/10/417995210.db2.gz CKUKKPODDVNGEJ-UHFFFAOYSA-N 0 0 306.395 0.836 50 0 DCAARN Cc1nc2cc(C(=O)N3CC[C@H](CS(N)(=O)=O)C3)ccc2[nH]1 ZINC000299772310 229421250 /nfs/dbraw/zinc/42/12/50/229421250.db2.gz XYUNEXMHRJANPY-JTQLQIEISA-N 0 0 322.390 0.622 50 0 DCAARN CCNC(=O)NC(=O)CSc1nnc2nc(C)cc(C)n21 ZINC000006326131 262535010 /nfs/dbraw/zinc/53/50/10/262535010.db2.gz GQUUQYWFTXPPPA-UHFFFAOYSA-N 0 0 308.367 0.679 50 0 DCAARN c1cnn(-c2cncc(N3CCN(c4ncccn4)CC3)n2)c1 ZINC000044945195 275074103 /nfs/dbraw/zinc/07/41/03/275074103.db2.gz XQRZXMWFFBJCGZ-UHFFFAOYSA-N 0 0 308.349 0.779 50 0 DCAARN CN(C)c1nc(N)nc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)n1 ZINC000222088634 276811029 /nfs/dbraw/zinc/81/10/29/276811029.db2.gz JULNLXXPQISSIH-IONNQARKSA-N 0 0 320.319 0.407 50 0 DCAARN CC(=O)NC(=S)NN1C(=O)C2=CC=CC3=CC=C[C@H](C1=O)[C@@H]32 ZINC000005786782 278077909 /nfs/dbraw/zinc/07/79/09/278077909.db2.gz WNLVCUZCWPNPJT-CMPLNLGQSA-N 0 0 315.354 0.506 50 0 DCAARN CC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)CC1 ZINC000069901734 288109542 /nfs/dbraw/zinc/10/95/42/288109542.db2.gz WXYOXQLAKIVAIE-RRFJBIMHSA-N 0 0 306.410 0.439 50 0 DCAARN CCN(c1cc(C(F)(F)F)nc2ncnn21)[C@@H]1CCNC1=O ZINC000281738391 279245587 /nfs/dbraw/zinc/24/55/87/279245587.db2.gz QGMBRWXVSJQDQC-SSDOTTSWSA-N 0 0 314.271 0.858 50 0 DCAARN Cc1c(C)n2c(nc3c2c(=O)n(C)c(=O)n3C)n1CC(C)C ZINC000005251868 280224080 /nfs/dbraw/zinc/22/40/80/280224080.db2.gz PGWFHZLHBRBOBS-UHFFFAOYSA-N 0 0 303.366 0.959 50 0 DCAARN O=C(c1[nH]c(=O)nc2ccccc21)N1CC(N2CCOCC2)C1 ZINC000219248112 280240241 /nfs/dbraw/zinc/24/02/41/280240241.db2.gz NUYZTPBAJRQCQM-UHFFFAOYSA-N 0 0 314.345 0.080 50 0 DCAARN CC[C@H](C)OC(=O)C1=C(C)N[C@@]2(O)c3ccccc3C(=O)[C@]12O ZINC000004157012 280751454 /nfs/dbraw/zinc/75/14/54/280751454.db2.gz PVEWOSJNEVBRKX-SZQIBGDISA-N 0 0 317.341 0.978 50 0 DCAARN C[C@@H]1CN(c2ccnc3c2c(=O)n(C)c(=O)n3C)C[C@H](C)O1 ZINC000012227248 288270002 /nfs/dbraw/zinc/27/00/02/288270002.db2.gz ZNSXQVCVDGITFH-AOOOYVTPSA-N 0 0 304.350 0.246 50 0 DCAARN CN(C(=O)[C@@H]1COc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC000040473661 281834702 /nfs/dbraw/zinc/83/47/02/281834702.db2.gz DQTHIPGNIRBIMU-STQMWFEESA-N 0 0 309.387 0.883 50 0 DCAARN C[C@@H]1Oc2cc(S(=O)(=O)N3CCOCC3)ccc2NC1=O ZINC000252510351 288929340 /nfs/dbraw/zinc/92/93/40/288929340.db2.gz ZIARTXDTMAFQQV-VIFPVBQESA-N 0 0 312.347 0.427 50 0 DCAARN C[C@@]1(NC(=O)c2nnc3n2CCCCC3)CCS(=O)(=O)C1 ZINC000215702249 289202381 /nfs/dbraw/zinc/20/23/81/289202381.db2.gz WKHPOXJDQOHVBF-CYBMUJFWSA-N 0 0 312.395 0.312 50 0 DCAARN CN1CCN(Cc2nc3ccccc3[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072456565 290047856 /nfs/dbraw/zinc/04/78/56/290047856.db2.gz KFFGHAMBNUCAJQ-KGLIPLIRSA-N 0 0 320.418 0.476 50 0 DCAARN Cn1c(=O)[nH]c(=O)c2c1NC1=C(C(=O)OC1)[C@H]2c1ccccc1 ZINC000004495909 294135678 /nfs/dbraw/zinc/13/56/78/294135678.db2.gz LDRPHFMYAJCBFM-SNVBAGLBSA-N 0 0 311.297 0.442 50 0 DCAARN COc1cccc([C@H]2NC(=O)NC3=C2C(=O)N(C)C3)c1OC ZINC000007778817 295329492 /nfs/dbraw/zinc/32/94/92/295329492.db2.gz IZZBLZHFRABJBE-GFCCVEGCSA-N 0 0 303.318 0.784 50 0 DCAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC(NC(N)=O)CC2)C1 ZINC000072313111 297359012 /nfs/dbraw/zinc/35/90/12/297359012.db2.gz KAAWWFOGJUJYCT-PHIMTYICSA-N 0 0 318.443 0.342 50 0 DCAARN C[C@H](C(=O)NCCS(C)(=O)=O)N1CCc2ccccc2C1 ZINC000071897897 298155694 /nfs/dbraw/zinc/15/56/94/298155694.db2.gz LALRCQJUIMFCKH-GFCCVEGCSA-N 0 0 310.419 0.594 50 0 DCAARN Cc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC(N)=O)c(C)n1 ZINC000223304706 301528855 /nfs/dbraw/zinc/52/88/55/301528855.db2.gz UQBZRNQTYSEDSN-OLZOCXBDSA-N 0 0 307.350 0.088 50 0 DCAARN O=C(C(=O)N1CCCCC[C@H]1CO)N1CCCCC[C@H]1CO ZINC000003151595 303531938 /nfs/dbraw/zinc/53/19/38/303531938.db2.gz FIBDBROHXNQXNB-KBPBESRZSA-N 0 0 312.410 0.513 50 0 DCAARN Cc1nc(C)c(CC(=O)N2CCO[C@H](C(F)(F)F)C2)c(=O)[nH]1 ZINC000071758965 331922810 /nfs/dbraw/zinc/92/28/10/331922810.db2.gz MBBCOYCFIMDVER-JTQLQIEISA-N 0 0 319.283 0.719 50 0 DCAARN CSC[C@@](C)(O)CNC(=O)c1ccccc1-n1cnnn1 ZINC000072291775 331929475 /nfs/dbraw/zinc/92/94/75/331929475.db2.gz FYEYXJKVNDZZEU-ZDUSSCGKSA-N 0 0 307.379 0.506 50 0 DCAARN CN1CC[C@H](NC(=O)CSCC(=O)c2ccccc2)C1=O ZINC000072291768 331929522 /nfs/dbraw/zinc/92/95/22/331929522.db2.gz WTRICGGXVJWFAY-LBPRGKRZSA-N 0 0 306.387 0.949 50 0 DCAARN CCN1CCN(CC(=O)NC[C@H]2CCCO2)C[C@@H]1c1ncc[nH]1 ZINC000332931433 333400945 /nfs/dbraw/zinc/40/09/45/333400945.db2.gz FMXSSUZFXBWYNY-ZIAGYGMSSA-N 0 0 321.425 0.384 50 0 DCAARN Cc1cnn([C@H](C)CNC(=O)Cn2cc(C)c(=O)[nH]c2=O)c1 ZINC000534578972 334288733 /nfs/dbraw/zinc/28/87/33/334288733.db2.gz HPBUKBKHMZCWLK-LLVKDONJSA-N 0 0 305.338 0.140 50 0 DCAARN CCS(=O)(=O)NC[C@@H](C)NCc1nc(C(C)(C)C)no1 ZINC000534585875 334291858 /nfs/dbraw/zinc/29/18/58/334291858.db2.gz LRNILPURYCQZDS-SECBINFHSA-N 0 0 304.416 0.785 50 0 DCAARN COC[C@@H]1CCCN1S(=O)(=O)NCc1cc(C2CC2)on1 ZINC000534593351 334294930 /nfs/dbraw/zinc/29/49/30/334294930.db2.gz CMLNPURSIYCRPY-LBPRGKRZSA-N 0 0 315.395 0.997 50 0 DCAARN CC(C)C[C@H](NC(=O)c1ccc2nnnn2c1)c1ncnn1C ZINC000534636362 334309259 /nfs/dbraw/zinc/30/92/59/334309259.db2.gz IDXYUTNGVMHSHV-NSHDSACASA-N 0 0 314.353 0.770 50 0 DCAARN CN1CCN([C@H]2COC[C@@H]2NC(=O)COc2ccccc2)CC1 ZINC000534665396 334318654 /nfs/dbraw/zinc/31/86/54/334318654.db2.gz UKOXOGKTXBEWCT-HOTGVXAUSA-N 0 0 319.405 0.196 50 0 DCAARN CN1CCO[C@@H](CNC(=O)c2ccccc2-n2cncn2)C1 ZINC000534669326 334319662 /nfs/dbraw/zinc/31/96/62/334319662.db2.gz IOSZIKABVFUBIW-LBPRGKRZSA-N 0 0 301.350 0.328 50 0 DCAARN O=C(COC[C@@H]1CCCO1)NC1CCN(c2cnccn2)CC1 ZINC000299774174 534616655 /nfs/dbraw/zinc/61/66/55/534616655.db2.gz BVAIUXABWTXTOH-AWEZNQCLSA-N 0 0 320.393 0.757 50 0 DCAARN Cc1nc2c(c(=O)n1C)CN(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000299781121 534620992 /nfs/dbraw/zinc/62/09/92/534620992.db2.gz VSGVZEDEWSZBFG-PHIMTYICSA-N 0 0 320.393 0.040 50 0 DCAARN O=C(NCCc1cnccn1)C1CCN(C(=O)C2CC2)CC1 ZINC000091269605 526452634 /nfs/dbraw/zinc/45/26/34/526452634.db2.gz NXENMXOKXGGRIG-UHFFFAOYSA-N 0 0 302.378 0.784 50 0 DCAARN CCCN(C(=O)c1ccc2n[nH]nc2c1)[C@H]1CC(=O)N(C)C1=O ZINC000283702863 535243067 /nfs/dbraw/zinc/24/30/67/535243067.db2.gz YNEDIYYLNYUQOT-LBPRGKRZSA-N 0 0 315.333 0.567 50 0 DCAARN Cc1cc(NC(=O)[C@@H]2CCCO2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000084101975 545698441 /nfs/dbraw/zinc/69/84/41/545698441.db2.gz LMVPPCAJZQLUEH-MNOVXSKESA-N 0 0 313.379 0.669 50 0 DCAARN O=C(c1c[nH]c(=O)cn1)N1CCCN(Cc2ccccn2)CC1 ZINC000215946273 545938496 /nfs/dbraw/zinc/93/84/96/545938496.db2.gz VKCWXAVTSNKLMY-UHFFFAOYSA-N 0 0 313.361 0.513 50 0 DCAARN CN(Cc1nc2ccccc2n1C)C(=O)C[C@H]1NC(=O)NC1=O ZINC000216057775 545939501 /nfs/dbraw/zinc/93/95/01/545939501.db2.gz WOLKBLIRXUOCCO-SNVBAGLBSA-N 0 0 315.333 0.130 50 0 DCAARN O=C(Cn1cnc2ccccc2c1=O)N1CCn2nccc2C1 ZINC000238836150 545960351 /nfs/dbraw/zinc/96/03/51/545960351.db2.gz GTEMTXTXSAUCLE-UHFFFAOYSA-N 0 0 309.329 0.635 50 0 DCAARN CC(=O)N1CCC(C(=O)N2CC(Oc3cccnc3)C2)CC1 ZINC000238814167 545960488 /nfs/dbraw/zinc/96/04/88/545960488.db2.gz BAVHLJJCSMDXIZ-UHFFFAOYSA-N 0 0 303.362 0.930 50 0 DCAARN O=C(NCC1CC1)[C@H]1CCCN(S(=O)(=O)[C@H]2CCOC2)C1 ZINC000332892922 546065420 /nfs/dbraw/zinc/06/54/20/546065420.db2.gz WYTVSNDYKLPIJW-STQMWFEESA-N 0 0 316.423 0.343 50 0 DCAARN CCc1nc(C)cc(N2CCc3c(c(C(N)=O)nn3C)C2)n1 ZINC000670435018 547088392 /nfs/dbraw/zinc/08/83/92/547088392.db2.gz WKTXQRRSUBBYMT-UHFFFAOYSA-N 0 0 300.366 0.743 50 0 DCAARN NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000670438481 547091091 /nfs/dbraw/zinc/09/10/91/547091091.db2.gz SHPIJIJCBLWPLH-VXGBXAGGSA-N 0 0 312.329 0.885 50 0 DCAARN CCc1nc(CN(C)S(=O)(=O)c2cn(CC)nc2C)no1 ZINC000670438459 547091301 /nfs/dbraw/zinc/09/13/01/547091301.db2.gz UZDQNYWPQZBHOC-UHFFFAOYSA-N 0 0 313.383 0.978 50 0 DCAARN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ncoc1C(C)C ZINC000670446553 547094497 /nfs/dbraw/zinc/09/44/97/547094497.db2.gz SYIWADHWVWYNNY-RKDXNWHRSA-N 0 0 302.352 0.340 50 0 DCAARN O=C(NCCc1noc(CO)n1)c1ccc2c(c1)CCCO2 ZINC000670449479 547095262 /nfs/dbraw/zinc/09/52/62/547095262.db2.gz ZKGSAIOYVSQLMU-UHFFFAOYSA-N 0 0 303.318 0.859 50 0 DCAARN Cc1nc(CNS(=O)(=O)[C@H]2CCS(=O)(=O)C2)cs1 ZINC000670457218 547097378 /nfs/dbraw/zinc/09/73/78/547097378.db2.gz JCHBLTNOFRJSMI-VIFPVBQESA-N 0 0 310.422 0.058 50 0 DCAARN O=C(NCCc1noc(CO)n1)c1cnc2c(c1)CCCC2 ZINC000670454596 547097747 /nfs/dbraw/zinc/09/77/47/547097747.db2.gz YUJVXPUWMHLNKL-UHFFFAOYSA-N 0 0 302.334 0.808 50 0 DCAARN CN(CCn1ccnc1)C(=O)NC[C@@H](CO)Cc1ccco1 ZINC000670473342 547101747 /nfs/dbraw/zinc/10/17/47/547101747.db2.gz RYYOHYCVAZUNSM-ZDUSSCGKSA-N 0 0 306.366 0.969 50 0 DCAARN COC(=O)N[C@@H](C)C(=O)N1CCC2(CCC(=O)N(C)C2)CC1 ZINC000670473759 547103138 /nfs/dbraw/zinc/10/31/38/547103138.db2.gz AFHBPGPLCXQDHC-NSHDSACASA-N 0 0 311.382 0.592 50 0 DCAARN CCc1n[nH]c([C@@H]2C[C@@H](O)[C@@H](CNC(=O)c3cccn3C)C2)n1 ZINC000685943373 548747667 /nfs/dbraw/zinc/74/76/67/548747667.db2.gz VRIOYMVVOARFFE-DMDPSCGWSA-N 0 0 317.393 0.990 50 0 DCAARN O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1cccc2c1OCO2 ZINC000685942949 548748273 /nfs/dbraw/zinc/74/82/73/548748273.db2.gz YIFOULYLUAYKGN-WCQYABFASA-N 0 0 317.301 0.715 50 0 DCAARN O=S(=O)(Cc1ccco1)[C@H]1CCN(S(=O)(=O)C2CC2)C1 ZINC000206694280 563634883 /nfs/dbraw/zinc/63/48/83/563634883.db2.gz XOCVYNITDAHUCZ-LBPRGKRZSA-N 0 0 319.404 0.761 50 0 DCAARN O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1ccc2c(c1)ncn2CCO ZINC000222291306 563724635 /nfs/dbraw/zinc/72/46/35/563724635.db2.gz RGCMMYWTQGJHCE-XUJVJEKNSA-N 0 0 301.346 0.936 50 0 DCAARN COCCN1CCCN(C(=O)Nc2ccn(C(C)C)n2)CC1=O ZINC000328588415 563959878 /nfs/dbraw/zinc/95/98/78/563959878.db2.gz OSTGEUODZIDVSK-UHFFFAOYSA-N 0 0 323.397 1.177 50 0 DCAARN CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(C(=O)[O-])c(C)n2)[N@H+](C)C1 ZINC000888096493 661174215 /nfs/dbraw/zinc/17/42/15/661174215.db2.gz YDHRELMDQQPLOR-RYUDHWBXSA-N 0 0 321.377 0.879 50 0 DCAARN CCO[C@@H]1C[C@H](NC(=O)NN2CCCC2=O)C12CCOCC2 ZINC000888097246 661176460 /nfs/dbraw/zinc/17/64/60/661176460.db2.gz AGVOITLSTPJMPH-NWDGAFQWSA-N 0 0 311.382 0.797 50 0 DCAARN COCC1(C2CCC2)CN(C(=O)N[C@@H]2CC[S@](=O)C2)C1 ZINC000888101530 661180449 /nfs/dbraw/zinc/18/04/49/661180449.db2.gz AYSLLAPQLRWLCX-ODXCJYRJSA-N 0 0 300.424 0.966 50 0 DCAARN O=C(N[C@]1(CO)CCOC1)c1cc2c(cc1F)NC(=O)CC2 ZINC000182929829 659148180 /nfs/dbraw/zinc/14/81/80/659148180.db2.gz TVMWPGBMVVJUMK-HNNXBMFYSA-N 0 0 308.309 0.592 50 0 DCAARN O=C(N[C@@]1(CO)CCOC1)c1cc2c(cc1F)NC(=O)CC2 ZINC000182929845 665935501 /nfs/dbraw/zinc/93/55/01/665935501.db2.gz TVMWPGBMVVJUMK-OAHLLOKOSA-N 0 0 308.309 0.592 50 0 DCAARN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1c[nH]cn1 ZINC000031158701 663338543 /nfs/dbraw/zinc/33/85/43/663338543.db2.gz YNHVZXATNGMVNC-GJZGRUSLSA-N 0 0 323.356 0.659 50 0 DCAARN CN(C)S(=O)(=O)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000012429674 666634032 /nfs/dbraw/zinc/63/40/32/666634032.db2.gz UCZMIZXECVWXIL-ZDUSSCGKSA-N 0 0 323.418 0.151 50 0 DCAARN CC(C)(CO)NC(=O)c1cc2ncc(Br)cn2n1 ZINC000864095359 667214305 /nfs/dbraw/zinc/21/43/05/667214305.db2.gz HIFYUMKDTVAHDI-UHFFFAOYSA-N 0 0 313.155 0.993 50 0 DCAARN O=C(c1[nH]cnc1C(F)(F)F)N1CCN2C(=O)N=NC2C1 ZINC000832190746 668141549 /nfs/dbraw/zinc/14/15/49/668141549.db2.gz PFTZYACBUBEMLK-UHFFFAOYSA-N 0 0 302.216 0.382 50 0 DCAARN CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000818027188 670962527 /nfs/dbraw/zinc/96/25/27/670962527.db2.gz UGYPNJCSYPVOKF-WZRBSPASSA-N 0 0 324.381 0.588 50 0 DCAARN O=S(=O)(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ncc[n-]1 ZINC000398244609 685273574 /nfs/dbraw/zinc/27/35/74/685273574.db2.gz GIMXXSOTGDYCKV-WDNDVIMCSA-N 0 0 318.402 0.818 50 0 DCAARN Cc1ccoc1C(=O)NC[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000952990665 685602541 /nfs/dbraw/zinc/60/25/41/685602541.db2.gz VTSSSIIBGHOENS-NSHDSACASA-N 0 0 300.380 0.989 50 0 DCAARN CCNC(=O)[C@H]1CCN(C(=O)/C=C/c2cnc(N(C)C)nc2)C1 ZINC000952983331 685601855 /nfs/dbraw/zinc/60/18/55/685601855.db2.gz KIEIIEAWSINNHM-GFUIURDCSA-N 0 0 317.393 0.540 50 0 DCAARN CC(C)C[C@H]1NC(=O)[C@H]2CN(Cc3ccccn3)CCN2C1=O ZINC000014531172 685047931 /nfs/dbraw/zinc/04/79/31/685047931.db2.gz HWHLUBFWZSALGL-HUUCEWRRSA-N 0 0 316.405 0.639 50 0 DCAARN C[C@@H]1C(=O)N(C)CCN1C(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000067805156 685069088 /nfs/dbraw/zinc/06/90/88/685069088.db2.gz QIOILVCLLVQFBA-LLVKDONJSA-N 0 0 324.402 0.322 50 0 DCAARN C[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1C(=O)[O-] ZINC000067833902 685070181 /nfs/dbraw/zinc/07/01/81/685070181.db2.gz FRHVSBONFUQOAE-AWEZNQCLSA-N 0 0 301.346 0.938 50 0 DCAARN COc1ccc(Cc2ncc3c(n2)CN(C(=O)C(N)=O)C3)cc1 ZINC000067974202 685070470 /nfs/dbraw/zinc/07/04/70/685070470.db2.gz GAOYGFDRFFYARU-UHFFFAOYSA-N 0 0 312.329 0.404 50 0 DCAARN COc1ccc(CCCC(=O)N2CC[NH2+][C@@H](C(=O)[O-])C2)cc1 ZINC000071759959 685073839 /nfs/dbraw/zinc/07/38/39/685073839.db2.gz NDXPMUSGIYUPIH-CQSZACIVSA-N 0 0 306.362 0.903 50 0 DCAARN Cn1ccsc1=NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000254815171 685188186 /nfs/dbraw/zinc/18/81/86/685188186.db2.gz HBUKTRFPLJRTHD-CYBMUJFWSA-N 0 0 308.363 0.234 50 0 DCAARN C[C@@]1(O)CCOC2(CCN(C(=O)CN3CCOC3=O)CC2)C1 ZINC001704297802 1179964445 /nfs/dbraw/zinc/96/44/45/1179964445.db2.gz CNRYKUHBMQVUPW-CQSZACIVSA-N 0 0 312.366 0.361 50 0 DCAARN Cc1onc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1CO ZINC001704298593 1179965273 /nfs/dbraw/zinc/96/52/73/1179965273.db2.gz IRKODDDBOYMCOA-TZMCWYRMSA-N 0 0 317.345 0.858 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3ccc(=O)[nH]c3)C[C@H]2O)[nH]n1 ZINC001704326279 1179973627 /nfs/dbraw/zinc/97/36/27/1179973627.db2.gz SOFWFVHOYKNTCU-DGCLKSJQSA-N 0 0 302.334 0.494 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cc(C)nc(N)n3)C[C@H]2O)[nH]n1 ZINC001704339685 1179979050 /nfs/dbraw/zinc/97/90/50/1179979050.db2.gz WMYCVNXNSFBKMS-ZWNOBZJWSA-N 0 0 316.365 0.074 50 0 DCAARN C[C@]1(O)CCOC2(CCN(C(=O)CCS(C)(=O)=O)CC2)C1 ZINC001704344391 1179980308 /nfs/dbraw/zinc/98/03/08/1179980308.db2.gz PCDYUORPGLGUEI-ZDUSSCGKSA-N 0 0 319.423 0.344 50 0 DCAARN CC(C)n1ccc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)n1 ZINC001704349571 1179982168 /nfs/dbraw/zinc/98/21/68/1179982168.db2.gz AXISGNMHYFTMQI-IUODEOHRSA-N 0 0 315.377 0.930 50 0 DCAARN C[C@H]1C(=O)N(C)C[C@H](CO)N1S(=O)(=O)c1ccc(F)cc1 ZINC000675020659 748027794 /nfs/dbraw/zinc/02/77/94/748027794.db2.gz FHWSMHUEWPRRRC-GXSJLCMTSA-N 0 0 316.354 0.038 50 0 DCAARN Cc1n[nH]c(C)c1S(=O)(=O)N(C)C[C@@H]1CC(=O)N(C)C1 ZINC000823754625 758265194 /nfs/dbraw/zinc/26/51/94/758265194.db2.gz ASHJJZYDUGJBMV-SNVBAGLBSA-N 0 0 300.384 0.125 50 0 DCAARN COCC[C@H]1CCCN(S(=O)(=O)N2CCN(C)CC2)C1 ZINC000824384102 758772237 /nfs/dbraw/zinc/77/22/37/758772237.db2.gz GGGXYASOKXDEQR-CYBMUJFWSA-N 0 0 305.444 0.227 50 0 DCAARN COc1cccc(S(=O)(=O)N(C)C[C@@H]2CC(=O)N(C)C2)c1 ZINC000824788008 758784973 /nfs/dbraw/zinc/78/49/73/758784973.db2.gz UXMLRGWAZDFKFA-LLVKDONJSA-N 0 0 312.391 0.794 50 0 DCAARN Cc1nnnn1-c1cccc(NC(=O)[C@H](C)N2CCCC2=O)c1 ZINC000827636165 758872620 /nfs/dbraw/zinc/87/26/20/758872620.db2.gz XXMQKIYZASWBRZ-JTQLQIEISA-N 0 0 314.349 0.920 50 0 DCAARN CC(C)n1cnnc1[C@H](C)NC(=O)c1ccc2nnnn2c1 ZINC000828172193 758937037 /nfs/dbraw/zinc/93/70/37/758937037.db2.gz LDKKZOXZYGLLRL-VIFPVBQESA-N 0 0 300.326 0.788 50 0 DCAARN COCCNC(=O)C1(F)CCN(C(=O)c2cnccn2)CC1 ZINC000581818691 760256652 /nfs/dbraw/zinc/25/66/52/760256652.db2.gz NRRQDBJYGQDDRO-UHFFFAOYSA-N 0 0 310.329 0.184 50 0 DCAARN Cc1noc(C)c1CC(=O)N1CCC(N2C(=O)CNC2=O)CC1 ZINC000585332037 768080696 /nfs/dbraw/zinc/08/06/96/768080696.db2.gz CGPUIPSBGJJQFW-UHFFFAOYSA-N 0 0 320.349 0.377 50 0 DCAARN CCCCOc1ncccc1CNC(=O)[C@@H]1CNC(=O)N1C ZINC000585122009 766286348 /nfs/dbraw/zinc/28/63/48/766286348.db2.gz KGQJQRYCZJCGRX-LBPRGKRZSA-N 0 0 306.366 0.900 50 0 DCAARN CO[C@H](C)CS(=O)(=O)N1CCn2ncc(Br)c21 ZINC000585122510 766287321 /nfs/dbraw/zinc/28/73/21/766287321.db2.gz SCNPIUDYXQGLFH-SSDOTTSWSA-N 0 0 324.200 0.830 50 0 DCAARN CSc1cc(NC(=O)N[C@@H]2CCc3ncnn3C2)ncn1 ZINC000585119591 766287643 /nfs/dbraw/zinc/28/76/43/766287643.db2.gz MKUWTRIKVRIALV-MRVPVSSYSA-N 0 0 305.367 0.927 50 0 DCAARN COC(=O)C1(COC2CCC(NS(C)(=O)=O)CC2)CC1 ZINC000585122870 766287774 /nfs/dbraw/zinc/28/77/74/766287774.db2.gz DMKXOVDMFCVQQJ-UHFFFAOYSA-N 0 0 305.396 0.817 50 0 DCAARN CCOC(=O)[C@H](C[C@H](OC)C1CC1)NC(=O)c1ccn(C)n1 ZINC000585127108 766289839 /nfs/dbraw/zinc/28/98/39/766289839.db2.gz QCQHWJPETLSWRB-STQMWFEESA-N 0 0 309.366 0.897 50 0 DCAARN CCOC(=O)[C@H](C[C@@H](OC)C1CC1)NC(=O)c1ccn(C)n1 ZINC000585127107 766289834 /nfs/dbraw/zinc/28/98/34/766289834.db2.gz QCQHWJPETLSWRB-QWHCGFSZSA-N 0 0 309.366 0.897 50 0 DCAARN C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(=O)n(C)n3)ccc2O1 ZINC000585128826 766290165 /nfs/dbraw/zinc/29/01/65/766290165.db2.gz OJCYYFIVTWJBGG-SECBINFHSA-N 0 0 321.358 0.905 50 0 DCAARN COC[C@@H](O)CNC(=O)Nc1cc(N(C)C)n2nc(C)cc2n1 ZINC000585135682 766292799 /nfs/dbraw/zinc/29/27/99/766292799.db2.gz WTUBSRXNWSAXJV-JTQLQIEISA-N 0 0 322.369 0.233 50 0 DCAARN CCS(=O)(=O)CC(=O)Nc1ccc2[nH]c([C@H](C)O)nc2c1 ZINC000952873144 768937060 /nfs/dbraw/zinc/93/70/60/768937060.db2.gz HAIXDGPWBADHEU-QMMMGPOBSA-N 0 0 311.363 0.989 50 0 DCAARN COCc1cc(=O)[nH]c(N2CC[C@H](Nc3cnccn3)C2)n1 ZINC000952879059 768943035 /nfs/dbraw/zinc/94/30/35/768943035.db2.gz FXKJRQOAZOYQCJ-JTQLQIEISA-N 0 0 302.338 0.809 50 0 DCAARN Cc1cc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)nn1C ZINC001529117843 1014498204 /nfs/dbraw/zinc/49/82/04/1014498204.db2.gz ATQFTGNCZCUNQC-BXUZGUMPSA-N 0 0 301.350 0.194 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)c2csc(CN(C)C)n2)cn1 ZINC001529118254 1014498814 /nfs/dbraw/zinc/49/88/14/1014498814.db2.gz HPYNXYDDBDBIFB-UHFFFAOYSA-N 0 0 322.394 0.400 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3cc(C)n(C)n3)C[C@H]2O)[nH]n1 ZINC001529133770 1014501884 /nfs/dbraw/zinc/50/18/84/1014501884.db2.gz GSFXQRJVTNFOAJ-BXUZGUMPSA-N 0 0 303.366 0.436 50 0 DCAARN CO[C@H](C)c1nnc(NC(=O)CCNS(C)(=O)=O)s1 ZINC001529169019 1014511480 /nfs/dbraw/zinc/51/14/80/1014511480.db2.gz QEOJUFYKHTUMSO-ZCFIWIBFSA-N 0 0 308.385 0.123 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3c(C)noc3C)C[C@H]2O)[nH]n1 ZINC001529189645 1014517215 /nfs/dbraw/zinc/51/72/15/1014517215.db2.gz SROAZLZAKYPZLR-DGCLKSJQSA-N 0 0 304.350 0.999 50 0 DCAARN O=C(CN1CCCCC1=O)N1C[C@H](O)[C@H](Cc2ccncc2)C1 ZINC001529192193 1014517406 /nfs/dbraw/zinc/51/74/06/1014517406.db2.gz RDXZHLXJUGIKHP-CABCVRRESA-N 0 0 317.389 0.456 50 0 DCAARN CCc1nnc(CN2CCCN(C(=O)c3cncn3C)CC2)[nH]1 ZINC001529189501 1014517918 /nfs/dbraw/zinc/51/79/18/1014517918.db2.gz PFFKNMJCWBXXPF-UHFFFAOYSA-N 0 0 317.397 0.449 50 0 DCAARN COCCC[C@@H]1CCCCN1C(=O)CCNS(C)(=O)=O ZINC001506398041 1017253672 /nfs/dbraw/zinc/25/36/72/1017253672.db2.gz IUTIBTQDAPFALY-LBPRGKRZSA-N 0 0 306.428 0.733 50 0 DCAARN CO[C@H]1CCN(C(=O)Cn2c3ccccc3nc(C)c2=O)C1 ZINC000095521821 185377345 /nfs/dbraw/zinc/37/73/45/185377345.db2.gz AYIMCXQMXRHKJQ-LBPRGKRZSA-N 0 0 301.346 0.952 50 0 DCAARN CCOC(=O)N1CCN(C(=O)Cn2cccc(OC)c2=O)CC1 ZINC000095524031 185377645 /nfs/dbraw/zinc/37/76/45/185377645.db2.gz ALDLOSGLVKLDIT-UHFFFAOYSA-N 0 0 323.349 0.158 50 0 DCAARN CN(C)c1ccc([C@@H](O)CNC(=O)C(=O)NC2CCCC2)cc1 ZINC000090611896 185306637 /nfs/dbraw/zinc/30/66/37/185306637.db2.gz AZZAWLYWXJZNPY-HNNXBMFYSA-N 0 0 319.405 0.961 50 0 DCAARN CC(=O)N1CCCn2nc(CNc3ccnc(N)n3)cc2C1 ZINC000082107054 192356892 /nfs/dbraw/zinc/35/68/92/192356892.db2.gz GQOQLDFGYPIHTR-UHFFFAOYSA-N 0 0 301.354 0.620 50 0 DCAARN Cc1nonc1OCCNC(=O)CCc1c(C)nn(C)c1C ZINC000082134255 192360169 /nfs/dbraw/zinc/36/01/69/192360169.db2.gz CFXGWSZGIGQSQA-UHFFFAOYSA-N 0 0 307.354 0.856 50 0 DCAARN CS(=O)(=O)CCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O ZINC000225456209 201713091 /nfs/dbraw/zinc/71/30/91/201713091.db2.gz SLTWPDLSIPDPIM-ZDUSSCGKSA-N 0 0 322.386 0.810 50 0 DCAARN COCCS(=O)(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000095399822 185354125 /nfs/dbraw/zinc/35/41/25/185354125.db2.gz QWDCZDYWJVWNEV-UHFFFAOYSA-N 0 0 300.380 0.490 50 0 DCAARN O=C(CCC1CCC1)N1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1 ZINC000095407938 185356494 /nfs/dbraw/zinc/35/64/94/185356494.db2.gz MPUNFMGYXRRWOQ-UHFFFAOYSA-N 0 0 306.366 0.568 50 0 DCAARN CNS(=O)(=O)c1ccc(CCC(=O)NC[C@H](C)CO)cc1 ZINC000095418236 185359586 /nfs/dbraw/zinc/35/95/86/185359586.db2.gz YTXIKYATGPBTGO-NSHDSACASA-N 0 0 314.407 0.272 50 0 DCAARN C[C@H](C1CC1)N(C)C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC000095452055 185369259 /nfs/dbraw/zinc/36/92/59/185369259.db2.gz WLRXEPQDWXSLPJ-SNVBAGLBSA-N 0 0 313.398 0.884 50 0 DCAARN CC(=O)N1CCOC[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000095440936 185366142 /nfs/dbraw/zinc/36/61/42/185366142.db2.gz WWHAOSXDHQJDHS-UONOGXRCSA-N 0 0 304.346 0.354 50 0 DCAARN CCOc1ncccc1CNC(=O)c1cnc(C(=O)OC)cn1 ZINC000095456804 185370223 /nfs/dbraw/zinc/37/02/23/185370223.db2.gz VWNLNIIAKYQIFH-UHFFFAOYSA-N 0 0 316.317 0.987 50 0 DCAARN COCCN1CCN(Cc2ccc(N3CCCC3)nc2)CC1=O ZINC000097052010 185403792 /nfs/dbraw/zinc/40/37/92/185403792.db2.gz FZEYQPIKURPVNT-UHFFFAOYSA-N 0 0 318.421 0.972 50 0 DCAARN Cc1nc(N2CCN(S(C)(=O)=O)CC2)cc(C(F)(F)F)n1 ZINC000225733929 201740913 /nfs/dbraw/zinc/74/09/13/201740913.db2.gz OIUHOOAFSNKMDS-UHFFFAOYSA-N 0 0 324.328 0.885 50 0 DCAARN CCc1nc(C)cc(N2CCN(CC(=O)NCCOC)CC2)n1 ZINC000225816427 201751317 /nfs/dbraw/zinc/75/13/17/201751317.db2.gz QFBPXSJDBQLDMS-UHFFFAOYSA-N 0 0 321.425 0.232 50 0 DCAARN O=C(CCc1nc2ccccc2[nH]1)N1CCNC(=O)[C@H]1CCO ZINC000067587821 190710864 /nfs/dbraw/zinc/71/08/64/190710864.db2.gz BZLAFNIMNUCQOQ-CYBMUJFWSA-N 0 0 316.361 0.205 50 0 DCAARN CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCOCC2)=NO1 ZINC000170607839 197788684 /nfs/dbraw/zinc/78/86/84/197788684.db2.gz GWUPRDGKDULFRW-JTQLQIEISA-N 0 0 313.354 0.515 50 0 DCAARN COC(=O)CCN1C(=O)N[C@@](C)(c2cccc(C(N)=O)c2)C1=O ZINC000067783348 190721626 /nfs/dbraw/zinc/72/16/26/190721626.db2.gz CMFBGJIYSSXNTI-HNNXBMFYSA-N 0 0 319.317 0.116 50 0 DCAARN C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCCO1 ZINC000229520233 201838995 /nfs/dbraw/zinc/83/89/95/201838995.db2.gz TVFTZUVZMWGIMY-SRVKXCTJSA-N 0 0 304.412 0.342 50 0 DCAARN CC(C)(C)OC(=O)N1CC[C@H](OC(=O)[C@@H]2COCCO2)C1 ZINC000170627054 197795418 /nfs/dbraw/zinc/79/54/18/197795418.db2.gz YKVYNCUUCXXPKC-QWRGUYRKSA-N 0 0 301.339 0.954 50 0 DCAARN O=C(Cn1nc2c(cc1=O)CSCC2)Nc1nncs1 ZINC000071284465 190952850 /nfs/dbraw/zinc/95/28/50/190952850.db2.gz CWYWYAIEEIQUQT-UHFFFAOYSA-N 0 0 309.376 0.523 50 0 DCAARN CCc1nnc([C@@H]2CN(C(=O)c3cnc(C)cn3)CCO2)[nH]1 ZINC000083830046 192384801 /nfs/dbraw/zinc/38/48/01/192384801.db2.gz GPNBOKRCNNJMKI-NSHDSACASA-N 0 0 302.338 0.679 50 0 DCAARN CCOC(=O)[C@@H](C)CNS(=O)(=O)c1c(C)nn(CC)c1C ZINC000083836740 192385433 /nfs/dbraw/zinc/38/54/33/192385433.db2.gz ILBHELMKPJKPJR-VIFPVBQESA-N 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/nfs/dbraw/zinc/04/51/38/191045138.db2.gz CDRWGPCIFHNLDZ-YPMHNXCESA-N 0 0 318.377 0.400 50 0 DCAARN COCCc1noc(CN2CCC[C@]3(CN(C)C(=O)O3)C2)n1 ZINC000072134523 191046038 /nfs/dbraw/zinc/04/60/38/191046038.db2.gz VQHSIJSNYXKZGP-AWEZNQCLSA-N 0 0 310.354 0.675 50 0 DCAARN Nc1nc(CCC(=O)N2CCC[C@]3(CNC(=O)O3)C2)cs1 ZINC000072154330 191059055 /nfs/dbraw/zinc/05/90/55/191059055.db2.gz ZWOCRHZHJWZNIM-ZDUSSCGKSA-N 0 0 310.379 0.759 50 0 DCAARN CN1C(=O)[C@@H](CC(=O)N2CC(c3ccccn3)C2)N(C)C1=O ZINC000072156111 191059233 /nfs/dbraw/zinc/05/92/33/191059233.db2.gz VHWAGBMPGXHPSY-GFCCVEGCSA-N 0 0 302.334 0.290 50 0 DCAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)C)c(F)c1 ZINC000072143713 191048795 /nfs/dbraw/zinc/04/87/95/191048795.db2.gz ZXFWOLMZSOVZPP-CQSZACIVSA-N 0 0 323.368 0.613 50 0 DCAARN CCCn1cnnc1CNC(=O)c1cn(C[C@H]2CCCO2)nn1 ZINC000072165052 191064637 /nfs/dbraw/zinc/06/46/37/191064637.db2.gz DQNXDZWIFQPVTI-LLVKDONJSA-N 0 0 319.369 0.389 50 0 DCAARN O=c1[nH]c2nc(-n3ccnc3)ncc2c(=O)n1Cc1ccccc1 ZINC000072207585 191076854 /nfs/dbraw/zinc/07/68/54/191076854.db2.gz GNOXAOAUOKZUJR-UHFFFAOYSA-N 0 0 320.312 0.714 50 0 DCAARN O=S(=O)(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CCCC[C@H]1O ZINC000072232509 191079593 /nfs/dbraw/zinc/07/95/93/191079593.db2.gz NKYYCXSMSVUJQB-CHWSQXEVSA-N 0 0 323.378 0.708 50 0 DCAARN Cc1n[nH]c(C)c1CCC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000072240442 191084332 /nfs/dbraw/zinc/08/43/32/191084332.db2.gz NDCUOMHJBBLHKB-UHFFFAOYSA-N 0 0 314.411 0.063 50 0 DCAARN Cc1nc(C)n(C[C@@H]2CN(CC(=O)NC3CCCC3)CCO2)n1 ZINC000072253429 191086926 /nfs/dbraw/zinc/08/69/26/191086926.db2.gz LCTNFFLJIKXPON-HNNXBMFYSA-N 0 0 321.425 0.655 50 0 DCAARN CCCS(=O)(=O)[C@@H](C)C(=O)N[C@@H]1CCc2nc(C)cn2C1 ZINC000072279107 191100210 /nfs/dbraw/zinc/10/02/10/191100210.db2.gz IWGXCURBXBIFGP-NWDGAFQWSA-N 0 0 313.423 0.836 50 0 DCAARN CN(C)S(=O)(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000253398530 186306535 /nfs/dbraw/zinc/30/65/35/186306535.db2.gz XLYYARXCXRQVCP-CQSZACIVSA-N 0 0 321.402 0.986 50 0 DCAARN CN(CCn1cccn1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000171880448 197999819 /nfs/dbraw/zinc/99/98/19/197999819.db2.gz PDWNTUZIUJZQHD-NXEZZACHSA-N 0 0 318.299 0.799 50 0 DCAARN COC(=O)CCNC(=O)Cn1c2ccccc2nc(C)c1=O ZINC000072404947 191152010 /nfs/dbraw/zinc/15/20/10/191152010.db2.gz BAZFJTMUJFBKNI-UHFFFAOYSA-N 0 0 303.318 0.384 50 0 DCAARN O=C(CCNC(=O)c1cnccn1)Nc1ccc2c(c1)OCO2 ZINC000072406032 191152039 /nfs/dbraw/zinc/15/20/39/191152039.db2.gz GSZMYYVAHNYRQM-UHFFFAOYSA-N 0 0 314.301 0.964 50 0 DCAARN CCC(CC)NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000072437228 191165896 /nfs/dbraw/zinc/16/58/96/191165896.db2.gz VWJHPFNPRDLLAV-LLVKDONJSA-N 0 0 305.444 0.810 50 0 DCAARN COc1cccc(C[N@@H+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)c1OC ZINC000072478009 191179428 /nfs/dbraw/zinc/17/94/28/191179428.db2.gz VJMYCFPYYGCGEN-MEDUHNTESA-N 0 0 320.345 0.336 50 0 DCAARN CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000000285913 180748076 /nfs/dbraw/zinc/74/80/76/180748076.db2.gz WUHKMFYTRVQVAD-UHFFFAOYSA-N 0 0 317.324 0.663 50 0 DCAARN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CCOCC1 ZINC000000419547 180783179 /nfs/dbraw/zinc/78/31/79/180783179.db2.gz UDUSKQRXKZOEPD-UHFFFAOYSA-N 0 0 307.741 0.852 50 0 DCAARN COc1ccc(OCc2nnc(SCC(N)=O)n2C)cc1 ZINC000000421567 180784093 /nfs/dbraw/zinc/78/40/93/180784093.db2.gz SZHAVUYPGIKKQW-UHFFFAOYSA-N 0 0 308.363 0.980 50 0 DCAARN COc1ccc(S(=O)(=O)C[C@H](O)CN2CCCC2=O)cc1 ZINC000001391333 180859613 /nfs/dbraw/zinc/85/96/13/180859613.db2.gz IJYFURPOEZEEOW-LLVKDONJSA-N 0 0 313.375 0.452 50 0 DCAARN C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C[C@H](C)O1 ZINC000002336943 180919686 /nfs/dbraw/zinc/91/96/86/180919686.db2.gz XQNNHCZGTFJWTC-IUCAKERBSA-N 0 0 312.347 0.919 50 0 DCAARN O=C(NC1CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003203147 180990930 /nfs/dbraw/zinc/99/09/30/180990930.db2.gz AAKBYDRWOPEBSH-UHFFFAOYSA-N 0 0 310.375 0.600 50 0 DCAARN CCOC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000003459959 181022749 /nfs/dbraw/zinc/02/27/49/181022749.db2.gz 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/nfs/dbraw/zinc/10/29/96/181102996.db2.gz PETSFAFAKNFJPF-GHMZBOCLSA-N 0 0 307.350 0.481 50 0 DCAARN CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2C(=O)[C@H]1OC(C)=O ZINC000004375870 181103872 /nfs/dbraw/zinc/10/38/72/181103872.db2.gz IVBCSEQLWLYHDX-JPIRQXTESA-N 0 0 322.313 0.973 50 0 DCAARN COc1ccc(N2C[C@@H](NC(=O)NCCCO)CC2=O)cc1 ZINC000004479569 181113091 /nfs/dbraw/zinc/11/30/91/181113091.db2.gz YZDVQTGHUCZUBZ-NSHDSACASA-N 0 0 307.350 0.482 50 0 DCAARN COc1cc(OC)cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000004504499 181117026 /nfs/dbraw/zinc/11/70/26/181117026.db2.gz TYAZVUGRKXIKQC-NSHDSACASA-N 0 0 313.375 0.963 50 0 DCAARN COc1ccc(C(=O)N[C@H](CO)c2n[nH]c(=S)n2C)cc1 ZINC000004520751 181119300 /nfs/dbraw/zinc/11/93/00/181119300.db2.gz NUZMHOQWCMWXFJ-SNVBAGLBSA-N 0 0 308.363 0.950 50 0 DCAARN CC(C)OCCCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000004687811 181136996 /nfs/dbraw/zinc/13/69/96/181136996.db2.gz BQAMYCAHCGZINF-GFCCVEGCSA-N 0 0 306.428 0.589 50 0 DCAARN CC(=O)Cn1c(=O)c2c(nc3n2cc(C)n3C(C)C)n(C)c1=O ZINC000004940525 181176430 /nfs/dbraw/zinc/17/64/30/181176430.db2.gz QOPGVMGESWZDKD-UHFFFAOYSA-N 0 0 317.349 0.628 50 0 DCAARN CS(=O)(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000004942535 181176974 /nfs/dbraw/zinc/17/69/74/181176974.db2.gz WWUURKNDKYGJMH-UHFFFAOYSA-N 0 0 305.377 0.111 50 0 DCAARN CSCCC(=O)N1CCc2c(ncnc2N2CCOCC2)C1 ZINC000077287484 191687231 /nfs/dbraw/zinc/68/72/31/191687231.db2.gz UBQFCBMGOOVBQP-UHFFFAOYSA-N 0 0 322.434 0.951 50 0 DCAARN COC(=O)[C@H](CCSC)NC(=O)N1CCC(C(N)=O)CC1 ZINC000005321999 181228851 /nfs/dbraw/zinc/22/88/51/181228851.db2.gz ILCKWPDSYQLTFZ-JTQLQIEISA-N 0 0 317.411 0.188 50 0 DCAARN CCN1CCO[C@@H](C(=O)Nc2ccc(-n3ccnc3)nc2)C1 ZINC000081247016 192239903 /nfs/dbraw/zinc/23/99/03/192239903.db2.gz TYJLAKSZTWWUBW-CYBMUJFWSA-N 0 0 301.350 0.927 50 0 DCAARN CCCN(Cc1nccn1C)C(=O)[C@@H]1NCCc2nc[nH]c21 ZINC000072428846 283299152 /nfs/dbraw/zinc/29/91/52/283299152.db2.gz SQOUENOZBVVIIN-CQSZACIVSA-N 0 0 302.382 0.769 50 0 DCAARN COC(=O)N(C)CC(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000095435074 291175399 /nfs/dbraw/zinc/17/53/99/291175399.db2.gz IPHLLDSICAIIQR-YPMHNXCESA-N 0 0 323.393 0.687 50 0 DCAARN COCc1noc(CN2CCN(Cc3cccn3C)CC2)n1 ZINC000188800810 200305428 /nfs/dbraw/zinc/30/54/28/200305428.db2.gz JNMHBCCHNTWRQC-UHFFFAOYSA-N 0 0 305.382 0.872 50 0 DCAARN C[C@H](C(=O)Nc1nncs1)N1CCN(c2cnccn2)CC1 ZINC000240163529 202455451 /nfs/dbraw/zinc/45/54/51/202455451.db2.gz JBOWBXQSTYNMEG-SNVBAGLBSA-N 0 0 319.394 0.477 50 0 DCAARN COCCCNC(=O)c1cccc(C(=O)NCCCOC)n1 ZINC000006126487 181314628 /nfs/dbraw/zinc/31/46/28/181314628.db2.gz JZFHNBARSMUVIO-UHFFFAOYSA-N 0 0 309.366 0.614 50 0 DCAARN NC(=O)CCn1nnnc1Cc1ccc(Br)cc1 ZINC000193423970 201050721 /nfs/dbraw/zinc/05/07/21/201050721.db2.gz YSVFXCWEPMWLBR-UHFFFAOYSA-N 0 0 310.155 0.902 50 0 DCAARN CC(C)N1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2C)C1=O ZINC000006435896 181340956 /nfs/dbraw/zinc/34/09/56/181340956.db2.gz XYVWXIVTLJBTEE-GHMZBOCLSA-N 0 0 309.366 0.881 50 0 DCAARN CN(C)C(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(C)C2(C)C)o1 ZINC000244853062 202501809 /nfs/dbraw/zinc/50/18/09/202501809.db2.gz VENLUQVOJMEYMO-LLVKDONJSA-N 0 0 321.377 0.855 50 0 DCAARN COc1cccc(C(=O)NCc2cc(=O)n(C)c(=O)n2C)c1 ZINC000006669599 181367850 /nfs/dbraw/zinc/36/78/50/181367850.db2.gz DKETXZGJKYGYQP-UHFFFAOYSA-N 0 0 303.318 0.023 50 0 DCAARN Cc1ccc2nc(CNC(=O)CCc3[nH]c(O)nc3O)[nH]c2c1 ZINC000091321496 193040080 /nfs/dbraw/zinc/04/00/80/193040080.db2.gz OVFFRXBWJADJBF-JTQLQIEISA-N 0 0 315.333 0.476 50 0 DCAARN CN1CCN(c2cc(N3CC(C)(C)[C@@](C)(O)C3)nc(N)n2)CC1 ZINC000091326240 193040905 /nfs/dbraw/zinc/04/09/05/193040905.db2.gz CSIUNDZPRWHVTO-INIZCTEOSA-N 0 0 320.441 0.408 50 0 DCAARN CN(C)Cc1nc(C(=O)N2CC[C@]3(C2)CCCNC3=O)cs1 ZINC000091550530 193072508 /nfs/dbraw/zinc/07/25/08/193072508.db2.gz UETDCNBKFQUHHQ-HNNXBMFYSA-N 0 0 322.434 0.947 50 0 DCAARN O=C(NCCn1cccc1)c1ccc(N2CC(=O)NC2=O)cc1 ZINC000091574349 193074393 /nfs/dbraw/zinc/07/43/93/193074393.db2.gz IVFALTUOAGTVMH-UHFFFAOYSA-N 0 0 312.329 0.974 50 0 DCAARN NC(=O)C1(CNc2nnnn2-c2ccccc2)CCOCC1 ZINC000091483169 193062295 /nfs/dbraw/zinc/06/22/95/193062295.db2.gz BNGAZPQRWWRIBF-UHFFFAOYSA-N 0 0 302.338 0.356 50 0 DCAARN COCCc1nc(CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)no1 ZINC000091656365 193085804 /nfs/dbraw/zinc/08/58/04/193085804.db2.gz DLPBPHZAWIMZTR-SNVBAGLBSA-N 0 0 324.381 0.522 50 0 DCAARN OC[C@H]1C[C@H](CN2CCOCC2)CN(c2noc(C3CC3)n2)C1 ZINC000091626227 193081467 /nfs/dbraw/zinc/08/14/67/193081467.db2.gz AFAFLJBVXINLIG-OLZOCXBDSA-N 0 0 322.409 0.714 50 0 DCAARN CSCc1noc(CNC(=O)[C@H]2CCCN(C(C)=O)C2)n1 ZINC000091986954 193136798 /nfs/dbraw/zinc/13/67/98/193136798.db2.gz SAPDGNHSQHPVPC-JTQLQIEISA-N 0 0 312.395 0.807 50 0 DCAARN Cc1cnc(CNC(=O)Cn2cnc3ccccc3c2=O)cn1 ZINC000091998004 193139391 /nfs/dbraw/zinc/13/93/91/193139391.db2.gz QUHVQMVXETVINA-UHFFFAOYSA-N 0 0 309.329 0.811 50 0 DCAARN CN(C)[C@H](C(=O)NCCS(C)(=O)=O)c1cccc(F)c1 ZINC000092037377 193144763 /nfs/dbraw/zinc/14/47/63/193144763.db2.gz VIFUOQKKEPUACA-LBPRGKRZSA-N 0 0 302.371 0.589 50 0 DCAARN COCCC[C@]1(CO)CCCN(C(=O)N2CCOCC2)C1 ZINC000092065519 193151220 /nfs/dbraw/zinc/15/12/20/193151220.db2.gz PMDCBEXEDRPWMQ-OAHLLOKOSA-N 0 0 300.399 0.940 50 0 DCAARN O=C(c1ccc2c(c1)CCO2)N1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000219322621 201554392 /nfs/dbraw/zinc/55/43/92/201554392.db2.gz FYRRJHZFHWQQSC-PYHGIMPFSA-N 0 0 303.358 0.825 50 0 DCAARN CCCOCCN1CCn2nc([C@H](O)c3nccn3C)cc2C1 ZINC000220715899 201579851 /nfs/dbraw/zinc/57/98/51/201579851.db2.gz USRRUFZXOWMPTQ-HNNXBMFYSA-N 0 0 319.409 0.941 50 0 DCAARN C[C@@H](Cn1cncn1)C(=O)NCc1nnnn1-c1ccccc1 ZINC000221220434 201582986 /nfs/dbraw/zinc/58/29/86/201582986.db2.gz OHURVFVWGGOFRK-NSHDSACASA-N 0 0 312.337 0.206 50 0 DCAARN O=C(Cn1cnnc1)N[C@@H]1COCC[C@H]1Oc1ccccn1 ZINC000219856760 201565610 /nfs/dbraw/zinc/56/56/10/201565610.db2.gz WNXBSGNHHUDULH-VXGBXAGGSA-N 0 0 303.322 0.026 50 0 DCAARN O=C(CN1CCOCC1)N1CCC(O)(c2cccnc2)CC1 ZINC000223046554 201630610 /nfs/dbraw/zinc/63/06/10/201630610.db2.gz FTSDQCKQDYSSHZ-UHFFFAOYSA-N 0 0 305.378 0.224 50 0 DCAARN COCC[C@@H](CO)NC(=O)[C@@H](C)NC(=O)COc1ccccc1 ZINC000253432156 202888491 /nfs/dbraw/zinc/88/84/91/202888491.db2.gz WWNLNYYDQJGZQI-OLZOCXBDSA-N 0 0 324.377 0.084 50 0 DCAARN COc1c(CN2CCN(c3cnn(C)c3)C(=O)C2)c(C)nn1C ZINC000093530527 193265718 /nfs/dbraw/zinc/26/57/18/193265718.db2.gz ZVIZRPGRTIBCIP-UHFFFAOYSA-N 0 0 318.381 0.319 50 0 DCAARN CN1C(=O)C[C@@H](C(=O)[O-])C12CC[NH+](Cc1cccnc1)CC2 ZINC000095376881 193438009 /nfs/dbraw/zinc/43/80/09/193438009.db2.gz HEYJKCBSSFMMAJ-ZDUSSCGKSA-N 0 0 303.362 0.979 50 0 DCAARN C[C@H](Cn1cncn1)NC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000096140816 193551265 /nfs/dbraw/zinc/55/12/65/193551265.db2.gz LDFADTKFOGXUDZ-SNVBAGLBSA-N 0 0 323.378 0.892 50 0 DCAARN CN(C)S(=O)(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000009037678 181597717 /nfs/dbraw/zinc/59/77/17/181597717.db2.gz MKQGETVZXXYFFN-CYBMUJFWSA-N 0 0 311.407 0.431 50 0 DCAARN O=C(Nc1cc(=O)[nH]c2nc(-c3ccco3)nn21)[C@@H]1CCCO1 ZINC000009109107 181601570 /nfs/dbraw/zinc/60/15/70/181601570.db2.gz MVUJKZOUQOFKSG-VIFPVBQESA-N 0 0 315.289 0.795 50 0 DCAARN CN(C)S(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1 ZINC000010338158 181667171 /nfs/dbraw/zinc/66/71/71/181667171.db2.gz YLXRQDYZQGHLIT-UHFFFAOYSA-N 0 0 303.428 0.564 50 0 DCAARN Cc1cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)[nH]1 ZINC000012507259 181768274 /nfs/dbraw/zinc/76/82/74/181768274.db2.gz NDOGQHKMOSEAGD-UHFFFAOYSA-N 0 0 315.333 0.262 50 0 DCAARN CN(CCCNC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1 ZINC000012536944 181772636 /nfs/dbraw/zinc/77/26/36/181772636.db2.gz NNBQLABTVKQJHG-UHFFFAOYSA-N 0 0 316.361 0.179 50 0 DCAARN C[C@@H]1CN(C(=O)CNC(=O)COc2ccccc2)C[C@H](C)O1 ZINC000012635315 181784586 /nfs/dbraw/zinc/78/45/86/181784586.db2.gz NNCQESXTVYIYMK-BETUJISGSA-N 0 0 306.362 0.817 50 0 DCAARN CCn1c(CCC(N)=O)nn(CN2CCO[C@@H](C)C2)c1=S ZINC000014138138 181928530 /nfs/dbraw/zinc/92/85/30/181928530.db2.gz YZXSWLULLKJXQF-JTQLQIEISA-N 0 0 313.427 0.530 50 0 DCAARN O=C(CN1C(=O)N/C(=C\c2cccs2)C1=O)N1CCOCC1 ZINC000015052389 181984963 /nfs/dbraw/zinc/98/49/63/181984963.db2.gz VMMDZJHPAJLGJM-FLIBITNWSA-N 0 0 321.358 0.500 50 0 DCAARN CCN1CCN(c2nc3ccc(C)cn3c(=O)c2C=O)CC1 ZINC000016806122 182061159 /nfs/dbraw/zinc/06/11/59/182061159.db2.gz JOVRLEZXHGPIRV-UHFFFAOYSA-N 0 0 300.362 0.957 50 0 DCAARN Cc1noc(C)c1S(=O)(=O)NCCC(=O)Nc1ccncc1 ZINC000017585933 182084663 /nfs/dbraw/zinc/08/46/63/182084663.db2.gz ZCFSLHYSGKJSBK-UHFFFAOYSA-N 0 0 324.362 0.994 50 0 DCAARN COCCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000017321384 182082674 /nfs/dbraw/zinc/08/26/74/182082674.db2.gz KYPOOWWRSOVPJO-UHFFFAOYSA-N 0 0 312.391 0.847 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)NCCOC)cc(C)c1C ZINC000017321468 182083108 /nfs/dbraw/zinc/08/31/08/182083108.db2.gz BETQZDCXVHBDFB-UHFFFAOYSA-N 0 0 300.380 0.588 50 0 DCAARN [O-][N+]1=C2CCc3nonc3[C@@H]2[C@@H]2CCC[C@]21N1CCOCC1 ZINC000019325834 182115825 /nfs/dbraw/zinc/11/58/25/182115825.db2.gz VUVWTFLFMZIMLX-PSOPSSQASA-N 0 0 304.350 0.893 50 0 DCAARN O=C(NC1CCC1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 ZINC000019732472 182139076 /nfs/dbraw/zinc/13/90/76/182139076.db2.gz OQDGHBMEYKTCIE-AWEZNQCLSA-N 0 0 323.437 0.616 50 0 DCAARN Cc1cccc(C)c1OC[C@@H](O)CN1CCN(CCO)CC1 ZINC000019770813 182145610 /nfs/dbraw/zinc/14/56/10/182145610.db2.gz QURUKAATAVETDT-INIZCTEOSA-N 0 0 308.422 0.653 50 0 DCAARN C[C@H]1CCc2c(sc3nc(SCC(N)=O)n(N)c(=O)c32)C1 ZINC000019797109 182150637 /nfs/dbraw/zinc/15/06/37/182150637.db2.gz CUKZBQGYEOXYQD-LURJTMIESA-N 0 0 324.431 0.874 50 0 DCAARN COc1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1 ZINC000019818466 182153635 /nfs/dbraw/zinc/15/36/35/182153635.db2.gz UYPWMEPACDPFNO-UHFFFAOYSA-N 0 0 307.350 0.082 50 0 DCAARN CCOc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1 ZINC000019909276 182163636 /nfs/dbraw/zinc/16/36/36/182163636.db2.gz WVCWMKYNTCTWNP-UHFFFAOYSA-N 0 0 314.407 0.696 50 0 DCAARN CN1CC[NH+]([C@H](CC(=O)Nc2ccc(O)cc2)C(=O)[O-])CC1 ZINC000019938653 182168100 /nfs/dbraw/zinc/16/81/00/182168100.db2.gz SHOTVTPPFQXKMD-CYBMUJFWSA-N 0 0 307.350 0.421 50 0 DCAARN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000020050202 182183738 /nfs/dbraw/zinc/18/37/38/182183738.db2.gz RRISMKNSMCAUBV-ZDUSSCGKSA-N 0 0 317.455 0.907 50 0 DCAARN CCCC(=O)Nc1nnc(S(=O)(=O)N2CCOCC2)s1 ZINC000020902110 182252819 /nfs/dbraw/zinc/25/28/19/182252819.db2.gz MIHFMHOYMHLYEE-UHFFFAOYSA-N 0 0 320.396 0.298 50 0 DCAARN COC(=O)[C@@H](NC(=O)c1ccc(F)cc1-n1cnnn1)C(C)C ZINC000020734907 182245083 /nfs/dbraw/zinc/24/50/83/182245083.db2.gz PMBUIMNEEFGZKZ-LBPRGKRZSA-N 0 0 321.312 0.729 50 0 DCAARN COc1ccc(OC)c(NC(=O)Nc2c[nH]c(=O)[nH]c2=O)c1 ZINC000020945643 182256227 /nfs/dbraw/zinc/25/62/27/182256227.db2.gz NWMLVAYBNKAQCO-UHFFFAOYSA-N 0 0 306.278 0.724 50 0 DCAARN NS(=O)(=O)c1ccc(OCCOC(=O)[C@@H]2CCCO2)cc1 ZINC000021443441 182273556 /nfs/dbraw/zinc/27/35/56/182273556.db2.gz KVOYSPBDMQKPMG-LBPRGKRZSA-N 0 0 315.347 0.435 50 0 DCAARN CC(=O)N1CCCN(C(=O)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000021437890 182273778 /nfs/dbraw/zinc/27/37/78/182273778.db2.gz WPALOECQLZOZCT-UHFFFAOYSA-N 0 0 314.345 0.618 50 0 DCAARN CCNC(=O)C1=CC(c2ccc(OC)cc2)=NS(=O)(=O)N1C ZINC000021526100 182278256 /nfs/dbraw/zinc/27/82/56/182278256.db2.gz XJIQEJOGCYDYHH-UHFFFAOYSA-N 0 0 323.374 0.695 50 0 DCAARN CCS(=O)(=O)CCNC(=O)c1cnc(-c2cccnc2)nc1 ZINC000097797280 193758746 /nfs/dbraw/zinc/75/87/46/193758746.db2.gz BKFTWXBGJFYFHQ-UHFFFAOYSA-N 0 0 320.374 0.703 50 0 DCAARN COc1ccccc1NC(=O)C[C@H](C(=O)[O-])[NH+]1CCN(C)CC1 ZINC000022788911 182334696 /nfs/dbraw/zinc/33/46/96/182334696.db2.gz YXFYMBOSHSRVJE-CYBMUJFWSA-N 0 0 321.377 0.724 50 0 DCAARN CC(=O)c1ccccc1NCC(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000022894046 182339016 /nfs/dbraw/zinc/33/90/16/182339016.db2.gz SBVGFTNOKOCOON-OAHLLOKOSA-N 0 0 324.402 0.995 50 0 DCAARN O=C(Cn1nnc(-c2cccc(F)c2)n1)NC(=O)NC1CC1 ZINC000023074797 182346338 /nfs/dbraw/zinc/34/63/38/182346338.db2.gz MZEHYOQDJHXOOY-UHFFFAOYSA-N 0 0 304.285 0.467 50 0 DCAARN CCn1c(NCc2cccnc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000023115192 182348381 /nfs/dbraw/zinc/34/83/81/182348381.db2.gz QPSFWYKKOXKVIY-UHFFFAOYSA-N 0 0 314.349 0.461 50 0 DCAARN CCNC(=O)c1ccc2c(c1)nc1n2CCN(C[C@H](C)O)C1 ZINC000023411523 182360020 /nfs/dbraw/zinc/36/00/20/182360020.db2.gz OHQNHXYWDKCMEJ-NSHDSACASA-N 0 0 302.378 0.982 50 0 DCAARN COC(=O)C(C)(C)NC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C ZINC000024586561 182384580 /nfs/dbraw/zinc/38/45/80/182384580.db2.gz WKPSOCFSJIMCSK-UHFFFAOYSA-N 0 0 319.321 0.358 50 0 DCAARN COC(=O)[C@](C)(O)CNC(=O)CCn1c(=O)oc2ccccc21 ZINC000095942122 284476853 /nfs/dbraw/zinc/47/68/53/284476853.db2.gz RHYBRNLSKNCMBE-OAHLLOKOSA-N 0 0 322.317 0.025 50 0 DCAARN CS(=O)(=O)NCCNC(=O)NCCc1cccc(F)c1 ZINC000029723910 182575090 /nfs/dbraw/zinc/57/50/90/182575090.db2.gz XCHPPSUSJKOWJL-UHFFFAOYSA-N 0 0 303.359 0.217 50 0 DCAARN COC(=O)[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)C(C)C ZINC000032074951 182633670 /nfs/dbraw/zinc/63/36/70/182633670.db2.gz HOXMDHJRZBHJSO-ZDUSSCGKSA-N 0 0 318.333 0.105 50 0 DCAARN C[C@@H]1CCCN(C(=O)Cn2c3ccccc3n(C)c(=O)c2=O)C1 ZINC000032977759 182685864 /nfs/dbraw/zinc/68/58/64/182685864.db2.gz JFSJIOBECADZMH-GFCCVEGCSA-N 0 0 315.373 0.959 50 0 DCAARN COC(=O)CNC(=O)N[C@H](C)C(=O)N1CCc2ccccc21 ZINC000033127743 182694081 /nfs/dbraw/zinc/69/40/81/182694081.db2.gz KDQAFNSOFMDLOU-SNVBAGLBSA-N 0 0 305.334 0.436 50 0 DCAARN O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccccc1 ZINC000035802373 182788080 /nfs/dbraw/zinc/78/80/80/182788080.db2.gz GNPDQJOTDBVGRJ-OAHLLOKOSA-N 0 0 317.389 0.948 50 0 DCAARN COC(=O)c1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000032912485 284559453 /nfs/dbraw/zinc/55/94/53/284559453.db2.gz FJJHHUVYWKTYLN-ZYHUDNBSSA-N 0 0 309.343 0.623 50 0 DCAARN COCC(=O)Nc1cc(C(=O)N2CCC(C)CC2)cn(C)c1=O ZINC000036685877 182834673 /nfs/dbraw/zinc/83/46/73/182834673.db2.gz RWPXZCOWTRTQQP-UHFFFAOYSA-N 0 0 321.377 0.842 50 0 DCAARN CCCCNC(=O)CN1CCN(C(=O)c2cnc(C)cn2)CC1 ZINC000036686394 182835875 /nfs/dbraw/zinc/83/58/75/182835875.db2.gz ARPUGNIRLGRPDW-UHFFFAOYSA-N 0 0 319.409 0.459 50 0 DCAARN CS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccco3)n[nH]2)CC1 ZINC000036709864 182836979 /nfs/dbraw/zinc/83/69/79/182836979.db2.gz RXBOEGHPUNEFRW-UHFFFAOYSA-N 0 0 324.362 0.387 50 0 DCAARN COC(=O)c1ccc2c(c1)S(=O)(=O)N=C2N1CCOCC1 ZINC000025048058 284575261 /nfs/dbraw/zinc/57/52/61/284575261.db2.gz IVUPZBCMFJXJFU-UHFFFAOYSA-N 0 0 310.331 0.254 50 0 DCAARN Cc1nc2ncc3c(cc(C)n(NC(=O)C(C)C)c3=O)n2n1 ZINC000038784042 183010088 /nfs/dbraw/zinc/01/00/88/183010088.db2.gz CMEISNUGJPKGEU-UHFFFAOYSA-N 0 0 300.322 0.782 50 0 DCAARN CCOCCCNC(=O)C1(NS(C)(=O)=O)CCCCC1 ZINC000039563675 183020973 /nfs/dbraw/zinc/02/09/73/183020973.db2.gz QZECOJHUSHNQTN-UHFFFAOYSA-N 0 0 306.428 0.781 50 0 DCAARN O=C(Cn1nc2ncccn2c1=O)NCc1ccc(F)cc1 ZINC000039702369 183021830 /nfs/dbraw/zinc/02/18/30/183021830.db2.gz DWUYHKSDAVFSOK-UHFFFAOYSA-N 0 0 301.281 0.347 50 0 DCAARN Cc1cc(NC(=O)Cc2noc(C(=O)NCC(C)C)n2)no1 ZINC000040286787 183051494 /nfs/dbraw/zinc/05/14/94/183051494.db2.gz IVSQOGBNWAAATL-UHFFFAOYSA-N 0 0 307.310 0.933 50 0 DCAARN CC(C)C(=O)N1CCN([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000040477282 183074967 /nfs/dbraw/zinc/07/49/67/183074967.db2.gz IYSUYXHZJJMCFH-NSHDSACASA-N 0 0 321.429 0.381 50 0 DCAARN Cn1c(COc2ccc(S(C)(=O)=O)cc2)cc(=O)n(C)c1=O ZINC000040479305 183076538 /nfs/dbraw/zinc/07/65/38/183076538.db2.gz UCGOXDYVBODXRK-UHFFFAOYSA-N 0 0 324.358 0.067 50 0 DCAARN CC(=O)N[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000040489385 183079416 /nfs/dbraw/zinc/07/94/16/183079416.db2.gz DMDYTMFVDYDKHD-STQMWFEESA-N 0 0 316.423 0.327 50 0 DCAARN CCCCN(CC)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000040490129 183079720 /nfs/dbraw/zinc/07/97/20/183079720.db2.gz LILIJQZVFAFGQZ-UHFFFAOYSA-N 0 0 318.377 0.894 50 0 DCAARN CCN(CC(=O)NC)C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000040539442 183096552 /nfs/dbraw/zinc/09/65/52/183096552.db2.gz IETQWFIYABLBHX-ZDUSSCGKSA-N 0 0 317.389 0.942 50 0 DCAARN CC(=O)Nc1cccc(NC(=O)Cn2ccc(=O)[nH]c2=O)c1C ZINC000040493882 183080712 /nfs/dbraw/zinc/08/07/12/183080712.db2.gz YQBOAGDMVSJGRK-UHFFFAOYSA-N 0 0 316.317 0.442 50 0 DCAARN COc1ncccc1C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000040496228 183081403 /nfs/dbraw/zinc/08/14/03/183081403.db2.gz ZUNRRPVMRHYWEE-UHFFFAOYSA-N 0 0 313.379 0.244 50 0 DCAARN CNS(=O)(=O)c1ccc(CNC(=O)c2cc(C)no2)cc1 ZINC000040498982 183082645 /nfs/dbraw/zinc/08/26/45/183082645.db2.gz MZNDBDUXTHXKIM-UHFFFAOYSA-N 0 0 309.347 0.821 50 0 DCAARN CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCc1cccnc1 ZINC000040510481 183086668 /nfs/dbraw/zinc/08/66/68/183086668.db2.gz OIWPROONIJBERV-ZDUSSCGKSA-N 0 0 311.407 0.554 50 0 DCAARN COc1c(C)ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)c1C ZINC000040510843 183086832 /nfs/dbraw/zinc/08/68/32/183086832.db2.gz OUYUDNRZUMPTSX-UHFFFAOYSA-N 0 0 303.318 0.801 50 0 DCAARN Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)cc1C(N)=O ZINC000040511352 183087247 /nfs/dbraw/zinc/08/72/47/183087247.db2.gz WWHYOIVYPJRCLO-MFKMUULPSA-N 0 0 312.391 0.940 50 0 DCAARN O=C(NCCNc1ncccn1)[C@H]1COc2ccccc2O1 ZINC000040513658 183088415 /nfs/dbraw/zinc/08/84/15/183088415.db2.gz IFAXEMUTEGSTKD-CYBMUJFWSA-N 0 0 300.318 0.845 50 0 DCAARN CC(=O)N1CCN(C(=O)CCc2nc(C(C)(C)C)no2)CC1 ZINC000040516076 183089256 /nfs/dbraw/zinc/08/92/56/183089256.db2.gz HGVRRLIOYMDANP-UHFFFAOYSA-N 0 0 308.382 0.990 50 0 DCAARN CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000040521329 183090589 /nfs/dbraw/zinc/09/05/89/183090589.db2.gz WUTDTMSRXNGJTB-CYBMUJFWSA-N 0 0 324.402 0.630 50 0 DCAARN CNC(=O)[C@@H](C)S(=O)(=O)Cc1cc(C(C)=O)ccc1OC ZINC000040528622 183093623 /nfs/dbraw/zinc/09/36/23/183093623.db2.gz WHYLBQQWTHORPN-SNVBAGLBSA-N 0 0 313.375 0.947 50 0 DCAARN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCOCC1 ZINC000040540058 183096785 /nfs/dbraw/zinc/09/67/85/183096785.db2.gz OWKPZFMLQQNLSK-AWEZNQCLSA-N 0 0 319.340 0.763 50 0 DCAARN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC[C@@H]1CCCO1 ZINC000040553252 183100650 /nfs/dbraw/zinc/10/06/50/183100650.db2.gz OCYMQQIVHJFIMV-VIFPVBQESA-N 0 0 302.352 0.453 50 0 DCAARN O=C(NCCN1C(=O)CSC1=O)c1ccc2c(c1)OCO2 ZINC000040554736 183101030 /nfs/dbraw/zinc/10/10/30/183101030.db2.gz JGJXRMLMNVGOLE-UHFFFAOYSA-N 0 0 308.315 0.841 50 0 DCAARN COc1ccc(F)cc1[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC000040553663 183101233 /nfs/dbraw/zinc/10/12/33/183101233.db2.gz XAWVLAUEKXNOGN-VIFPVBQESA-N 0 0 318.370 0.903 50 0 DCAARN COC(=O)CNC(=O)c1cc(NC(=O)c2cccs2)n(C)n1 ZINC000040768267 183131765 /nfs/dbraw/zinc/13/17/65/183131765.db2.gz UXOPOLDKFNVYQU-UHFFFAOYSA-N 0 0 322.346 0.637 50 0 DCAARN CC(C)c1noc([C@@H]2CCCCN2C(=O)Cn2cnnn2)n1 ZINC000040714910 183122543 /nfs/dbraw/zinc/12/25/43/183122543.db2.gz ZMZWVVXNSQJQIY-JTQLQIEISA-N 0 0 305.342 0.933 50 0 DCAARN C[C@@]1(NC(=O)c2cc(=O)c3ccccc3[nH]2)CCS(=O)(=O)C1 ZINC000041796029 183220878 /nfs/dbraw/zinc/22/08/78/183220878.db2.gz OLLZLOOFYICXQY-OAHLLOKOSA-N 0 0 320.370 0.835 50 0 DCAARN O=C(CC[C@H]1NC(=O)NC1=O)NC[C@H]1COc2ccccc2C1 ZINC000041997847 183227983 /nfs/dbraw/zinc/22/79/83/183227983.db2.gz OMXWUMYFZLSYIQ-CMPLNLGQSA-N 0 0 317.345 0.342 50 0 DCAARN Cc1cc(CN(C)C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)no1 ZINC000042402449 183264368 /nfs/dbraw/zinc/26/43/68/183264368.db2.gz FXTZOKBTZOXLSP-LLVKDONJSA-N 0 0 315.395 0.613 50 0 DCAARN Cc1nnc(CNC(=O)[C@@H](C)n2nnc3ccccc3c2=O)o1 ZINC000042382867 183262667 /nfs/dbraw/zinc/26/26/67/183262667.db2.gz YENIFWJASFSVLW-MRVPVSSYSA-N 0 0 314.305 0.360 50 0 DCAARN Cc1ccc(C(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cn1 ZINC000042394264 183263629 /nfs/dbraw/zinc/26/36/29/183263629.db2.gz SNHPIGZEFRWENE-HZPDHXFCSA-N 0 0 319.405 0.857 50 0 DCAARN Cc1cc(NC(=O)CCS(=O)(=O)C[C@@H]2CCCO2)no1 ZINC000044909270 183454217 /nfs/dbraw/zinc/45/42/17/183454217.db2.gz KMAUECAWEKPJSA-JTQLQIEISA-N 0 0 302.352 0.905 50 0 DCAARN Cn1cc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)cn1 ZINC000044915767 183456631 /nfs/dbraw/zinc/45/66/31/183456631.db2.gz BUXOMOOPMWGFDU-CYBMUJFWSA-N 0 0 312.333 0.479 50 0 DCAARN CCn1cnnc1CNC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000044942347 183462743 /nfs/dbraw/zinc/46/27/43/183462743.db2.gz GJOZTOSVEYECEG-UHFFFAOYSA-N 0 0 322.390 0.773 50 0 DCAARN CCc1nc(CCNC(=O)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000102377979 193880487 /nfs/dbraw/zinc/88/04/87/193880487.db2.gz ZZYDDWNKAREDLY-SECBINFHSA-N 0 0 302.421 0.799 50 0 DCAARN C[C@H](C(=O)N1CCN(Cc2ccncc2)CC1)S(C)(=O)=O ZINC000044949371 183465293 /nfs/dbraw/zinc/46/52/93/183465293.db2.gz JYHOMMWOFULZGZ-GFCCVEGCSA-N 0 0 311.407 0.159 50 0 DCAARN CC(C)CN1C[C@@H](C(=O)NC[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000045897830 183535352 /nfs/dbraw/zinc/53/53/52/183535352.db2.gz JEMKBSIEHSPCHA-NEPJUHHUSA-N 0 0 316.423 0.042 50 0 DCAARN CSc1nsc(NC(=O)N2CCC[C@@H](C(N)=O)C2)n1 ZINC000284736338 218154373 /nfs/dbraw/zinc/15/43/73/218154373.db2.gz RJUUNMWREUCHCG-ZCFIWIBFSA-N 0 0 301.397 0.989 50 0 DCAARN NC(=O)c1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1 ZINC000047439990 183591519 /nfs/dbraw/zinc/59/15/19/183591519.db2.gz XTYPWMSGHJRQCD-UHFFFAOYSA-N 0 0 322.328 0.942 50 0 DCAARN C[C@H](CO)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000106090582 194185362 /nfs/dbraw/zinc/18/53/62/194185362.db2.gz FDDANMLXWDTDRY-JHJVBQTASA-N 0 0 322.409 0.875 50 0 DCAARN COCCN(CC(=O)N(C)C)Cc1nc(-c2ccco2)no1 ZINC000051920535 183842286 /nfs/dbraw/zinc/84/22/86/183842286.db2.gz DTHCXXWPTFCDQB-UHFFFAOYSA-N 0 0 308.338 0.866 50 0 DCAARN CCNC(=O)COc1cccc(N[C@H]2CC(=O)N(CC)C2=O)c1 ZINC000055145423 183966980 /nfs/dbraw/zinc/96/69/80/183966980.db2.gz HMXRVONRSXNMLV-ZDUSSCGKSA-N 0 0 319.361 0.761 50 0 DCAARN Cc1c(C(=O)NC(C)(C)C(N)=O)nnn1-c1ccc(F)cc1 ZINC000057257862 184031041 /nfs/dbraw/zinc/03/10/41/184031041.db2.gz MMBZIPCXHMVPDG-UHFFFAOYSA-N 0 0 305.313 0.709 50 0 DCAARN C[C@@H]1CN(C(=O)c2cc(OCC(=O)N(C)C)n(C)n2)C[C@H](C)O1 ZINC000057312687 184032957 /nfs/dbraw/zinc/03/29/57/184032957.db2.gz XEYDDMDZDPLGSV-PHIMTYICSA-N 0 0 324.381 0.137 50 0 DCAARN O=C(N[C@@H]1CCCCNC1=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000056978687 184023224 /nfs/dbraw/zinc/02/32/24/184023224.db2.gz ZJYSXWLUHRLNQB-OCCSQVGLSA-N 0 0 301.346 0.965 50 0 DCAARN COCCCNC(=O)c1cc(OCC(=O)N2CCCC2)n(C)n1 ZINC000057355319 184035094 /nfs/dbraw/zinc/03/50/94/184035094.db2.gz SVIMUYNAIFNJNT-UHFFFAOYSA-N 0 0 324.381 0.188 50 0 DCAARN CCn1c(=O)c2sccc2n(CC(=O)NCCOC)c1=O ZINC000057478692 184039742 /nfs/dbraw/zinc/03/97/42/184039742.db2.gz OYNQZPZRXRDZON-UHFFFAOYSA-N 0 0 311.363 0.007 50 0 DCAARN Cc1c(C(=O)NCCCn2nc3n(c2=O)CCCC3)cnn1C ZINC000058193906 184086680 /nfs/dbraw/zinc/08/66/80/184086680.db2.gz OHSMOPXDOSOATK-UHFFFAOYSA-N 0 0 318.381 0.243 50 0 DCAARN CCCS(=O)(=O)NCc1cccc(CS(=O)(=O)NC)c1 ZINC000058344735 184107353 /nfs/dbraw/zinc/10/73/53/184107353.db2.gz AYVAHYIJWYUWBA-UHFFFAOYSA-N 0 0 320.436 0.565 50 0 DCAARN CCS(=O)(=O)N1CCC(C(=O)Nc2c[nH]ccc2=O)CC1 ZINC000058363628 184109095 /nfs/dbraw/zinc/10/90/95/184109095.db2.gz GZPLBNJDIANYBF-UHFFFAOYSA-N 0 0 313.379 0.375 50 0 DCAARN C[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)C(=O)N1CCOCC1 ZINC000058379879 184110896 /nfs/dbraw/zinc/11/08/96/184110896.db2.gz GDWFYOBYMCJJBN-FZMZJTMJSA-N 0 0 304.346 0.354 50 0 DCAARN CCOCCO[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000058392970 184111986 /nfs/dbraw/zinc/11/19/86/184111986.db2.gz UPRAVWSKNRGBGP-GXTWGEPZSA-N 0 0 308.378 0.641 50 0 DCAARN CCNC(=O)NC(=O)Cn1c(=O)onc1-c1ccccc1C ZINC000058281562 184099481 /nfs/dbraw/zinc/09/94/81/184099481.db2.gz VOXLGODPTNCYBE-UHFFFAOYSA-N 0 0 304.306 0.657 50 0 DCAARN COC(=O)c1ccc(S(=O)(=O)N(C)CC(N)=O)c(Cl)c1 ZINC000058281056 184099600 /nfs/dbraw/zinc/09/96/00/184099600.db2.gz CDLIPMYLQCTYEN-UHFFFAOYSA-N 0 0 320.754 0.232 50 0 DCAARN O=C(Cn1c(=O)onc1-c1ncccn1)NCc1ccco1 ZINC000058294740 184101996 /nfs/dbraw/zinc/10/19/96/184101996.db2.gz DEFXFIVOQQTYEW-UHFFFAOYSA-N 0 0 301.262 0.203 50 0 DCAARN CCOC(=O)CCNC(=O)[C@@H](CCSC)NC(=O)CC ZINC000058324651 184105468 /nfs/dbraw/zinc/10/54/68/184105468.db2.gz GMIKACGYKOHXNX-SNVBAGLBSA-N 0 0 304.412 0.704 50 0 DCAARN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H](C)C(N)=O ZINC000058412675 184114660 /nfs/dbraw/zinc/11/46/60/184114660.db2.gz DAWJTKACCUHVQH-NSHDSACASA-N 0 0 309.414 0.344 50 0 DCAARN COC(=O)CNC[C@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000059308294 184136950 /nfs/dbraw/zinc/13/69/50/184136950.db2.gz SVLKOVAGOQRNKC-MRXNPFEDSA-N 0 0 324.352 0.442 50 0 DCAARN COc1ccccc1N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000059390134 184138027 /nfs/dbraw/zinc/13/80/27/184138027.db2.gz CLTAQOQILKYAQF-LLVKDONJSA-N 0 0 312.391 0.435 50 0 DCAARN CN1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1 ZINC000061468860 184171179 /nfs/dbraw/zinc/17/11/79/184171179.db2.gz RZCCSGVIVMOURT-UHFFFAOYSA-N 0 0 308.407 0.586 50 0 DCAARN CCN1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1 ZINC000061469100 184171395 /nfs/dbraw/zinc/17/13/95/184171395.db2.gz DPKOUFGJLJXHKO-UHFFFAOYSA-N 0 0 322.434 0.977 50 0 DCAARN CCn1c(CNC(=O)CN2C(=O)CNC2=O)nc2ccccc21 ZINC000061511527 184171766 /nfs/dbraw/zinc/17/17/66/184171766.db2.gz HRSNORZUHUININ-UHFFFAOYSA-N 0 0 315.333 0.224 50 0 DCAARN O=C(CN1CCN(Cc2ccccc2)C(=O)C1=O)N1CCCC1 ZINC000064888458 184305816 /nfs/dbraw/zinc/30/58/16/184305816.db2.gz JVVCYUMSKTXOAR-UHFFFAOYSA-N 0 0 315.373 0.480 50 0 DCAARN Cc1noc2ncc(C(=O)NC[C@H]3CCS(=O)(=O)C3)cc12 ZINC000065380220 184331830 /nfs/dbraw/zinc/33/18/30/184331830.db2.gz YEHGKKPLTYMMIM-SECBINFHSA-N 0 0 309.347 0.696 50 0 DCAARN COc1nc(C)c(C(=O)N2CCN3CCN(C)C(=O)[C@@H]3C2)s1 ZINC000065408320 184339127 /nfs/dbraw/zinc/33/91/27/184339127.db2.gz UNWKOSSYBHSUCG-JTQLQIEISA-N 0 0 324.406 0.059 50 0 DCAARN C[C@H]1CNC(=O)CCN1C(=O)CCNC(=O)c1ccc(F)cc1 ZINC000065493948 184354341 /nfs/dbraw/zinc/35/43/41/184354341.db2.gz BKOMNXQCAYXNAG-NSHDSACASA-N 0 0 321.352 0.683 50 0 DCAARN CC(=O)N1CCN(CCNC(=O)c2cc(CC(C)C)n[nH]2)CC1 ZINC000065446739 184346248 /nfs/dbraw/zinc/34/62/48/184346248.db2.gz LUZYKPPHCVCJPA-UHFFFAOYSA-N 0 0 321.425 0.502 50 0 DCAARN Cn1nnnc1-c1cccc(NC(=O)c2cccn(C)c2=O)c1 ZINC000065490650 184353697 /nfs/dbraw/zinc/35/36/97/184353697.db2.gz ZYFSGGPYJPMABH-UHFFFAOYSA-N 0 0 310.317 0.828 50 0 DCAARN COc1cc(NC2CCN(CC(=O)NC3CC3)CC2)ncn1 ZINC000065398007 184335897 /nfs/dbraw/zinc/33/58/97/184335897.db2.gz SCJTUZSCBGUBFT-UHFFFAOYSA-N 0 0 305.382 0.640 50 0 DCAARN COc1ncnc2c1CN(CC(=O)Nc1cc(C)no1)CC2 ZINC000065542358 184363911 /nfs/dbraw/zinc/36/39/11/184363911.db2.gz LYTRDAFIOQGRMW-UHFFFAOYSA-N 0 0 303.322 0.778 50 0 DCAARN Cn1cnnc1[C@@H]1CCCN(C(=O)N[C@H]2CCCCNC2=O)C1 ZINC000065553422 184365489 /nfs/dbraw/zinc/36/54/89/184365489.db2.gz TYMNPMWQANAOCB-NEPJUHHUSA-N 0 0 320.397 0.373 50 0 DCAARN Cn1cc(C(=O)NCC2CCN(C(=O)NC3CC3)CC2)cn1 ZINC000065591469 184369913 /nfs/dbraw/zinc/36/99/13/184369913.db2.gz CAEOTFLRGQJBNB-UHFFFAOYSA-N 0 0 305.382 0.734 50 0 DCAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@@H]1CCC(=O)N1 ZINC000065590686 184370076 /nfs/dbraw/zinc/37/00/76/184370076.db2.gz SXIIXDPQLOBXFU-RYUDHWBXSA-N 0 0 323.418 0.516 50 0 DCAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000065501026 184355470 /nfs/dbraw/zinc/35/54/70/184355470.db2.gz NMBMVNHSCQBWLO-STQMWFEESA-N 0 0 319.336 0.957 50 0 DCAARN COC[C@@]1(C)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O ZINC000066083905 184387948 /nfs/dbraw/zinc/38/79/48/184387948.db2.gz DQIYKRIUIADHND-MRXNPFEDSA-N 0 0 323.393 0.950 50 0 DCAARN COC[C@]1(C)NC(=O)N(CC(=O)N(C)c2ccccc2)C1=O ZINC000066084203 184387993 /nfs/dbraw/zinc/38/79/93/184387993.db2.gz PLCNTCPGCQTIAM-HNNXBMFYSA-N 0 0 305.334 0.606 50 0 DCAARN COC[C@]1(C)NC(=O)N(CC(=O)NCc2ccccc2F)C1=O ZINC000066083219 184388359 /nfs/dbraw/zinc/38/83/59/184388359.db2.gz WLYOTLFVJXLHTA-HNNXBMFYSA-N 0 0 323.324 0.399 50 0 DCAARN Cc1ccc(CNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)n1C ZINC000065612092 184373933 /nfs/dbraw/zinc/37/39/33/184373933.db2.gz QFPLKBXJKGKLED-UHFFFAOYSA-N 0 0 304.350 0.268 50 0 DCAARN CC[C@@]1(C)C(=O)NCCN1C(=O)Cc1c(C)nc(C)[nH]c1=O ZINC000067739534 184483262 /nfs/dbraw/zinc/48/32/62/184483262.db2.gz OODHNZIOEBRJHH-HNNXBMFYSA-N 0 0 306.366 0.056 50 0 DCAARN O=C(CNC(=O)c1cc(-c2ccccc2)on1)Nc1nc[nH]n1 ZINC000069454913 184516347 /nfs/dbraw/zinc/51/63/47/184516347.db2.gz URGYTBACSWDYDJ-UHFFFAOYSA-N 0 0 312.289 0.828 50 0 DCAARN C[C@@H](NC(=O)[C@H]1CCC(=O)NC1)c1nnc2n1CCCCC2 ZINC000069350118 184508518 /nfs/dbraw/zinc/50/85/18/184508518.db2.gz RMGHHVUWBSEXLF-MNOVXSKESA-N 0 0 305.382 0.708 50 0 DCAARN CC(C)[C@@H]1NC(=O)N(Cc2nnnn2CC2CCOCC2)C1=O ZINC000333026277 252671833 /nfs/dbraw/zinc/67/18/33/252671833.db2.gz KUKMTFVNIJIKAE-LBPRGKRZSA-N 0 0 322.369 0.176 50 0 DCAARN COCCc1noc(CN2CCN(CC(F)(F)F)CC2)n1 ZINC000336834311 252800244 /nfs/dbraw/zinc/80/02/44/252800244.db2.gz GAPUCAQDKPFZTJ-UHFFFAOYSA-N 0 0 308.304 0.938 50 0 DCAARN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000241368035 256602361 /nfs/dbraw/zinc/60/23/61/256602361.db2.gz MJLUOQDXFYOWGS-IGJVIKARSA-N 0 0 324.352 0.787 50 0 DCAARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCc1c[nH]cn1 ZINC000524734488 257213637 /nfs/dbraw/zinc/21/36/37/257213637.db2.gz JZENOQKWBWYFTJ-UHFFFAOYSA-N 0 0 313.317 0.184 50 0 DCAARN COc1cc2c(cc1OC)CN(C(=O)[C@H](C)n1cnnn1)CC2 ZINC000524733135 257213851 /nfs/dbraw/zinc/21/38/51/257213851.db2.gz YFOSTGMAHNRSPF-JTQLQIEISA-N 0 0 317.349 0.836 50 0 DCAARN C[C@@H](C(=O)N[C@@H](c1nccn1C)c1ccccc1)n1cnnn1 ZINC000524733336 257213988 /nfs/dbraw/zinc/21/39/88/257213988.db2.gz ISZGUWLGGOJGJR-WCQYABFASA-N 0 0 311.349 0.873 50 0 DCAARN CC(C)(C)OC(=O)N1CCN(C(=O)CCn2cnnn2)CC1 ZINC000524733000 257214139 /nfs/dbraw/zinc/21/41/39/257214139.db2.gz KMLDUEQAXFOSSN-UHFFFAOYSA-N 0 0 310.358 0.143 50 0 DCAARN COC(=O)c1cn(NC(=O)[C@@H]2CCCO2)cc2c(=O)[nH]nc1-2 ZINC000524733702 257214211 /nfs/dbraw/zinc/21/42/11/257214211.db2.gz HKOQYIIJOXUWCT-VIFPVBQESA-N 0 0 306.278 0.124 50 0 DCAARN COC[C@@H]1[C@@H](NS(=O)(=O)c2c(C)noc2C)[C@@H]2CCO[C@H]12 ZINC000222564389 257274410 /nfs/dbraw/zinc/27/44/10/257274410.db2.gz ZIFUZFSIMAKRKU-USZNOCQGSA-N 0 0 316.379 0.620 50 0 DCAARN C[C@H]1C[C@H]1C(=O)N1CC(CS(=O)(=O)NCc2ccco2)C1 ZINC000521398234 257240250 /nfs/dbraw/zinc/24/02/50/257240250.db2.gz DKCMREYGFHCFHL-GXFFZTMASA-N 0 0 312.391 0.813 50 0 DCAARN CCOC(=O)[C@@]1(F)CN(C(=O)[C@@H]2CCCOC2)CC12COC2 ZINC000521394385 257241456 /nfs/dbraw/zinc/24/14/56/257241456.db2.gz YAYQRFWNHIUDPT-ABAIWWIYSA-N 0 0 315.341 0.543 50 0 DCAARN O=C(c1cnn(-c2ccccc2)c1)N1CCN(c2nc[nH]n2)CC1 ZINC000426712765 257243643 /nfs/dbraw/zinc/24/36/43/257243643.db2.gz OYIPAIHTRTXOIB-UHFFFAOYSA-N 0 0 323.360 0.953 50 0 DCAARN Cc1ncsc1CCCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000426726934 257243684 /nfs/dbraw/zinc/24/36/84/257243684.db2.gz SLOUBPBZFNKLHV-SNVBAGLBSA-N 0 0 302.421 0.935 50 0 DCAARN CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1cncc(=O)[nH]1 ZINC000426602448 257245437 /nfs/dbraw/zinc/24/54/37/257245437.db2.gz KNJZJDTVSAGOHA-LLVKDONJSA-N 0 0 318.377 0.633 50 0 DCAARN Cn1cc(CN(C(=O)NCCc2ncnn2C)C2CC2)cn1 ZINC000426419917 257251580 /nfs/dbraw/zinc/25/15/80/257251580.db2.gz GHHSGHBDTFVJEC-UHFFFAOYSA-N 0 0 303.370 0.465 50 0 DCAARN CCc1c(C)nn(CCNC(=O)CCc2nncn2C)c1C ZINC000426394767 257252134 /nfs/dbraw/zinc/25/21/34/257252134.db2.gz YHHHMZLZOXQIJM-UHFFFAOYSA-N 0 0 304.398 0.940 50 0 DCAARN CC(C)n1nccc1C(=O)NCc1nc(-c2cnccn2)n[nH]1 ZINC000426370162 257253202 /nfs/dbraw/zinc/25/32/02/257253202.db2.gz AXCSOKMMBCCIGK-UHFFFAOYSA-N 0 0 312.337 0.969 50 0 DCAARN Cc1ccn2c(nnc2C(=O)N[C@@H](C(=O)N(C)C)C(C)C)n1 ZINC000426371087 257253243 /nfs/dbraw/zinc/25/32/43/257253243.db2.gz OGHVTLUVRWTVJI-SNVBAGLBSA-N 0 0 304.354 0.275 50 0 DCAARN C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000352741236 257261021 /nfs/dbraw/zinc/26/10/21/257261021.db2.gz DEWMYXWHDUHWIK-TUAOUCFPSA-N 0 0 316.442 0.811 50 0 DCAARN CNC(=O)C1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000029146633 257269557 /nfs/dbraw/zinc/26/95/57/257269557.db2.gz GBKUKIIRGRIASA-UHFFFAOYSA-N 0 0 300.366 0.620 50 0 DCAARN CSCCC(=O)N1CCn2nc(CN3CCOCC3)cc2C1 ZINC000072408520 257270910 /nfs/dbraw/zinc/27/09/10/257270910.db2.gz HVTWFKVVXYXNJI-UHFFFAOYSA-N 0 0 324.450 0.811 50 0 DCAARN c1cc(-c2noc(CN3CCO[C@H](Cn4cncn4)C3)n2)co1 ZINC000071876620 184882682 /nfs/dbraw/zinc/88/26/82/184882682.db2.gz OFHLKCJGDUZWFQ-LBPRGKRZSA-N 0 0 316.321 0.822 50 0 DCAARN Cc1[nH]ccc1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000175645391 533645792 /nfs/dbraw/zinc/64/57/92/533645792.db2.gz KLYRXXONOZGEAR-UHFFFAOYSA-N 0 0 314.393 0.665 50 0 DCAARN CN(CCOc1ccc(S(N)(=O)=O)cc1)c1ccn(C)n1 ZINC000285019746 131131654 /nfs/dbraw/zinc/13/16/54/131131654.db2.gz MLXGIGYMXHVVHA-UHFFFAOYSA-N 0 0 310.379 0.583 50 0 DCAARN CNC(=O)OC[C@H]1CCCCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC000292472160 131653047 /nfs/dbraw/zinc/65/30/47/131653047.db2.gz BFICBCSKTKHMSG-SNVBAGLBSA-N 0 0 308.338 0.464 50 0 DCAARN Cc1nccn1CCNC(=O)c1cc(N2CCOCC2)ncn1 ZINC000253473000 134403132 /nfs/dbraw/zinc/40/31/32/134403132.db2.gz QXRVLRABLXILHM-UHFFFAOYSA-N 0 0 316.365 0.248 50 0 DCAARN C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCCO1 ZINC000026402456 134665639 /nfs/dbraw/zinc/66/56/39/134665639.db2.gz CXGJYSIZXLITIU-STQMWFEESA-N 0 0 305.382 0.876 50 0 DCAARN COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C[NH3+] ZINC000253415956 292037520 /nfs/dbraw/zinc/03/75/20/292037520.db2.gz GGBVVEZHKHQVQN-HTQZYQBOSA-N 0 0 319.408 0.335 50 0 DCAARN COC[C@@H](C)NS(=O)(=O)c1cc(NC(C)=O)ccc1OC ZINC000008262399 395684310 /nfs/dbraw/zinc/68/43/10/395684310.db2.gz YFDGSNKZIHSRDC-SECBINFHSA-N 0 0 316.379 0.967 50 0 DCAARN Cc1nc2cc(NC(=O)Cn3ccc(=O)[nH]c3=O)ccc2o1 ZINC000008369331 395684520 /nfs/dbraw/zinc/68/45/20/395684520.db2.gz QIJBVQWUORROPQ-UHFFFAOYSA-N 0 0 300.274 0.625 50 0 DCAARN CCCNC(=O)CNC(=O)c1nn(-c2ccccc2)nc1C ZINC000008405954 395684535 /nfs/dbraw/zinc/68/45/35/395684535.db2.gz IPEVNKMZKIBOSS-UHFFFAOYSA-N 0 0 301.350 0.832 50 0 DCAARN CCc1cccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000008588394 395684733 /nfs/dbraw/zinc/68/47/33/395684733.db2.gz CWOJHKDXIMRASK-UHFFFAOYSA-N 0 0 309.347 0.735 50 0 DCAARN C[C@@H](O)CN1CC2=C(C1=O)[C@H](c1ccc(O)cc1)NC(=O)N2 ZINC000008878068 395685040 /nfs/dbraw/zinc/68/50/40/395685040.db2.gz FUHWWPOKRWUWRI-OQPBUACISA-N 0 0 303.318 0.223 50 0 DCAARN C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCNC1=O ZINC000009218273 395685227 /nfs/dbraw/zinc/68/52/27/395685227.db2.gz VOESXXHEDFZJOO-SECBINFHSA-N 0 0 320.301 0.555 50 0 DCAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC[C@@H]1CCCO1)C2=O ZINC000009578900 395685436 /nfs/dbraw/zinc/68/54/36/395685436.db2.gz VNTAPGFSFTULSC-BFQNTYOBSA-N 0 0 323.393 0.782 50 0 DCAARN O=C(COc1ccccc1Br)N1CCNC(=O)C1 ZINC000009656887 395685487 /nfs/dbraw/zinc/68/54/87/395685487.db2.gz PFBRTNJECBEUNL-UHFFFAOYSA-N 0 0 313.151 0.786 50 0 DCAARN C[C@H]1CCCN(S(=O)(=O)CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000009532168 395685491 /nfs/dbraw/zinc/68/54/91/395685491.db2.gz LRZABHYZQSRMDK-JTQLQIEISA-N 0 0 317.411 0.379 50 0 DCAARN O=C(Nc1nn[nH]n1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000010386621 395686067 /nfs/dbraw/zinc/68/60/67/395686067.db2.gz QFSZPBNQNRTBCV-UHFFFAOYSA-N 0 0 322.350 0.237 50 0 DCAARN Cc1cnc(C(=O)OCC(=O)NC(=O)Cc2ccccc2)cn1 ZINC000011480893 395686521 /nfs/dbraw/zinc/68/65/21/395686521.db2.gz HQSLNCMSWUTGQS-UHFFFAOYSA-N 0 0 313.313 0.827 50 0 DCAARN COc1ccc(Br)cc1S(=O)(=O)NCCO ZINC000011566251 395686646 /nfs/dbraw/zinc/68/66/46/395686646.db2.gz ANOUOAFJUPSZKO-UHFFFAOYSA-N 0 0 310.169 0.728 50 0 DCAARN COc1ccc(C(=O)NCCn2ncccc2=O)c(OC)c1 ZINC000011856272 395686781 /nfs/dbraw/zinc/68/67/81/395686781.db2.gz IVSFBOZVYAETQS-UHFFFAOYSA-N 0 0 303.318 0.691 50 0 DCAARN CNC(=O)COC(=O)c1ccc(OCc2noc(C)n2)cc1 ZINC000011752994 395686861 /nfs/dbraw/zinc/68/68/61/395686861.db2.gz FCIIULPUFNVZGS-UHFFFAOYSA-N 0 0 305.290 0.860 50 0 DCAARN CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000012390405 395687638 /nfs/dbraw/zinc/68/76/38/395687638.db2.gz DXHPOKWKGMLNNB-AWEZNQCLSA-N 0 0 315.373 0.730 50 0 DCAARN Cc1cccc(N2CCN(Cc3nc(N)nc(N)n3)CC2)c1C ZINC000012549403 395687699 /nfs/dbraw/zinc/68/76/99/395687699.db2.gz OIUJYSDPNSCZGL-UHFFFAOYSA-N 0 0 313.409 0.975 50 0 DCAARN COCCN1C[C@H](C(=O)NCC2(O)CCCCC2)CCC1=O ZINC000012454386 395687716 /nfs/dbraw/zinc/68/77/16/395687716.db2.gz YHSSDNZOBGYPMA-CYBMUJFWSA-N 0 0 312.410 0.683 50 0 DCAARN O=S(=O)(c1cncc(Br)c1)N1CCOCC1 ZINC000012471901 395687733 /nfs/dbraw/zinc/68/77/33/395687733.db2.gz GIMCCYOGOYDJFI-UHFFFAOYSA-N 0 0 307.169 0.865 50 0 DCAARN C/C=C/Cn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000012648074 395687929 /nfs/dbraw/zinc/68/79/29/395687929.db2.gz VPBWGXVDCJZWOM-ONEGZZNKSA-N 0 0 303.366 0.990 50 0 DCAARN Cc1nnc(COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)o1 ZINC000012848187 395688033 /nfs/dbraw/zinc/68/80/33/395688033.db2.gz CEOODAPMNVURAL-QWRGUYRKSA-N 0 0 321.333 0.987 50 0 DCAARN O=c1n(Cc2nnnn2C2CC2)nnn1-c1ccccc1Cl ZINC000012738411 395688035 /nfs/dbraw/zinc/68/80/35/395688035.db2.gz PCFINQKVFXYSMU-UHFFFAOYSA-N 0 0 318.728 0.452 50 0 DCAARN Cc1nc(C)c(C(=O)OCc2cc(=O)n(C)c(=O)n2C)s1 ZINC000012895552 395688091 /nfs/dbraw/zinc/68/80/91/395688091.db2.gz QWHAOEUWQZGUOA-UHFFFAOYSA-N 0 0 309.347 0.514 50 0 DCAARN CC1CCN(CN2C(=O)N[C@H](CCS(C)(=O)=O)C2=O)CC1 ZINC000012914159 395688125 /nfs/dbraw/zinc/68/81/25/395688125.db2.gz CGSWQPUSUBIXDM-LLVKDONJSA-N 0 0 317.411 0.031 50 0 DCAARN Cn1nnc2c1ncnc2N1CCN(C(=O)C2CCCC2)CC1 ZINC000013532393 395688726 /nfs/dbraw/zinc/68/87/26/395688726.db2.gz RFFZIXXSLBMZNL-UHFFFAOYSA-N 0 0 315.381 0.597 50 0 DCAARN O=C(CCNC(=O)Cc1n[nH]c(=O)c2ccccc12)NC1CC1 ZINC000013687355 395688847 /nfs/dbraw/zinc/68/88/47/395688847.db2.gz RJTUUQLIVFOMHP-UHFFFAOYSA-N 0 0 314.345 0.251 50 0 DCAARN CCOC(=O)CN1CCS(=O)(=O)c2c(F)c(F)nc(F)c21 ZINC000013727181 395688918 /nfs/dbraw/zinc/68/89/18/395688918.db2.gz RECGLVCSLKHJEE-UHFFFAOYSA-N 0 0 324.280 0.656 50 0 DCAARN CCCn1c(=O)[nH]nc1SCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000014201379 395689383 /nfs/dbraw/zinc/68/93/83/395689383.db2.gz KYELVDCVZXWYEP-AOOOYVTPSA-N 0 0 314.411 0.709 50 0 DCAARN Nc1n[nH]c(SCC(=O)N2CCN(c3ccccc3)CC2)n1 ZINC000018222598 395690901 /nfs/dbraw/zinc/69/09/01/395690901.db2.gz AOYJILHCQKZGMN-UHFFFAOYSA-N 0 0 318.406 0.828 50 0 DCAARN Cc1cc(NC(=O)Cn2ncc(N3CCOCC3)cc2=O)on1 ZINC000023192102 395692285 /nfs/dbraw/zinc/69/22/85/395692285.db2.gz NPKQTYRHQLQQDU-UHFFFAOYSA-N 0 0 319.321 0.015 50 0 DCAARN Cn1c(=O)c2c(n(C)c1=O)NCN(CCc1ccccc1)C2 ZINC000000070175 395679690 /nfs/dbraw/zinc/67/96/90/395679690.db2.gz HMMFMLNYNJCCNL-UHFFFAOYSA-N 0 0 300.362 0.512 50 0 DCAARN COC(=O)c1ccc(CSc2nnc3n(N)cnn23)cc1 ZINC000000036438 395679740 /nfs/dbraw/zinc/67/97/40/395679740.db2.gz SHJFFIWSXLTUCX-UHFFFAOYSA-N 0 0 304.335 0.719 50 0 DCAARN COC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000000114486 395679796 /nfs/dbraw/zinc/67/97/96/395679796.db2.gz LHKYKQFOTWOHSB-UHFFFAOYSA-N 0 0 316.379 0.449 50 0 DCAARN CN1C2=C(C(=O)N(CCO)C2)[C@H](c2ccc(O)cc2)NC1=O ZINC000000118253 395679851 /nfs/dbraw/zinc/67/98/51/395679851.db2.gz KQEAJPVHZOLLAP-ZDUSSCGKSA-N 0 0 303.318 0.177 50 0 DCAARN CN(C)N1C(=O)C[C@@H](SCC(=O)Nc2ccccc2)C1=O ZINC000000289721 395680199 /nfs/dbraw/zinc/68/01/99/395680199.db2.gz ULQJWULGWFIDSY-LLVKDONJSA-N 0 0 307.375 0.962 50 0 DCAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000000390738 395680312 /nfs/dbraw/zinc/68/03/12/395680312.db2.gz JYAJMJWSKZNCFA-LBPRGKRZSA-N 0 0 312.391 0.521 50 0 DCAARN COC(=O)/C=C1\S[C@H](NC(=O)c2ccc(OC)cc2)NC1=O ZINC000000502480 395680386 /nfs/dbraw/zinc/68/03/86/395680386.db2.gz RZMROEBTVUHLIQ-JKEYDSJLSA-N 0 0 322.342 0.629 50 0 DCAARN C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000000615170 395680519 /nfs/dbraw/zinc/68/05/19/395680519.db2.gz CKBIMYBSIODKDU-VXGBXAGGSA-N 0 0 312.391 0.649 50 0 DCAARN COC(=O)C1=C[C@@]2(CC(=O)N(c3ccc(C)cc3)C2=O)NN1 ZINC000000552013 395680594 /nfs/dbraw/zinc/68/05/94/395680594.db2.gz JKNDGDXOARNXTM-HNNXBMFYSA-N 0 0 301.302 0.519 50 0 DCAARN COCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n1C ZINC000002917281 395682125 /nfs/dbraw/zinc/68/21/25/395682125.db2.gz OEHSZBCETCPURM-UHFFFAOYSA-N 0 0 314.345 0.871 50 0 DCAARN CC(C)CNC(=O)COC(=O)CNC(=O)c1cccc(F)c1 ZINC000003246623 395682355 /nfs/dbraw/zinc/68/23/55/395682355.db2.gz FHNGKAFHOTWKJL-UHFFFAOYSA-N 0 0 310.325 0.871 50 0 DCAARN NC(=S)Cc1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000003243434 395682376 /nfs/dbraw/zinc/68/23/76/395682376.db2.gz UXOUADKOSNVIQG-UHFFFAOYSA-N 0 0 303.391 0.933 50 0 DCAARN COc1ccc(CNC(=O)N2CCN(C[C@@H](C)O)CC2)cc1 ZINC000085466912 395701132 /nfs/dbraw/zinc/70/11/32/395701132.db2.gz LNKLGQAJDKQGEZ-CYBMUJFWSA-N 0 0 307.394 0.903 50 0 DCAARN O=C(c1cc2n(n1)CCCO2)N1CCN(c2ncccn2)CC1 ZINC000085555253 395701508 /nfs/dbraw/zinc/70/15/08/395701508.db2.gz OBKLYHUOBSRBJD-UHFFFAOYSA-N 0 0 314.349 0.418 50 0 DCAARN C[C@H](Sc1nccn1C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000029997152 395701543 /nfs/dbraw/zinc/70/15/43/395701543.db2.gz MZGUWTRXMJUXAJ-UWVGGRQHSA-N 0 0 317.436 0.546 50 0 DCAARN Cn1c(=O)ccn(CC(=O)N(Cc2cccnc2)C2CC2)c1=O ZINC000030579859 395703004 /nfs/dbraw/zinc/70/30/04/395703004.db2.gz UIEDNABOOKBPFD-UHFFFAOYSA-N 0 0 314.345 0.133 50 0 DCAARN CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](C)[NH3+])C(C)C)C(=O)[O-] ZINC000030836168 395704433 /nfs/dbraw/zinc/70/44/33/395704433.db2.gz RFJNDTQGEJRBHO-VWYCJHECSA-N 0 0 301.387 0.090 50 0 DCAARN CCCn1c(=O)[nH]nc1S(=O)(=O)Cc1nc(C)cs1 ZINC000086994508 395704933 /nfs/dbraw/zinc/70/49/33/395704933.db2.gz AOGSGCVRPFTUBV-UHFFFAOYSA-N 0 0 302.381 0.720 50 0 DCAARN Cc1ccc(-c2cc(C(=O)NCCNS(C)(=O)=O)on2)cc1 ZINC000031276806 395706333 /nfs/dbraw/zinc/70/63/33/395706333.db2.gz HTQSLYKJFHTYPC-UHFFFAOYSA-N 0 0 323.374 0.929 50 0 DCAARN O=C(CC[C@@H]1NC(=O)NC1=O)NCCCOc1ccccc1 ZINC000031971216 395708872 /nfs/dbraw/zinc/70/88/72/395708872.db2.gz JUQAHQIQQKZHBY-LBPRGKRZSA-N 0 0 305.334 0.560 50 0 DCAARN CCc1nnc([C@H]2CN(C(=O)Cc3cccnc3)CCO2)[nH]1 ZINC000089289763 395709872 /nfs/dbraw/zinc/70/98/72/395709872.db2.gz PMCVXTSJQSYTBC-GFCCVEGCSA-N 0 0 301.350 0.905 50 0 DCAARN C[C@H]1C[C@@H]1CNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000032383543 395710661 /nfs/dbraw/zinc/71/06/61/395710661.db2.gz BUNRFIDJSJSPNW-WDEREUQCSA-N 0 0 301.346 0.852 50 0 DCAARN Cc1nn(C)c2c1ncn(CC(=O)NC1CCCCC1)c2=O ZINC000032648954 395711981 /nfs/dbraw/zinc/71/19/81/395711981.db2.gz VVSUJHPZCHWOCJ-UHFFFAOYSA-N 0 0 303.366 0.887 50 0 DCAARN COC[C@H](C)NC(=O)C1=NN(c2ccc(C)cc2)C(=O)CN1 ZINC000032660615 395712395 /nfs/dbraw/zinc/71/23/95/395712395.db2.gz XWPKDGFQGMJLDF-NSHDSACASA-N 0 0 304.350 0.396 50 0 DCAARN CNC(=O)NC(=O)[C@@H](C)Nc1ccc(NC(=O)COC)cc1 ZINC000032771668 395713107 /nfs/dbraw/zinc/71/31/07/395713107.db2.gz PAFGBDXLVDKPTA-SECBINFHSA-N 0 0 308.338 0.528 50 0 DCAARN O=C(c1ccc(N2CCN(CCO)CC2)nc1)N1CCCC1 ZINC000032908974 395714298 /nfs/dbraw/zinc/71/42/98/395714298.db2.gz AQCOJIXWGOFSNO-UHFFFAOYSA-N 0 0 304.394 0.432 50 0 DCAARN CON(C)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000032978619 395715131 /nfs/dbraw/zinc/71/51/31/395715131.db2.gz ILLPSDQSRKOLKZ-SNVBAGLBSA-N 0 0 306.318 0.831 50 0 DCAARN NS(=O)(=O)N1CCC(NC(=O)c2ccccc2F)CC1 ZINC000089811840 395715294 /nfs/dbraw/zinc/71/52/94/395715294.db2.gz UQFMLHCIDWZWHQ-UHFFFAOYSA-N 0 0 301.343 0.223 50 0 DCAARN CC(C)[C@@H](CNC(=O)N[C@@H](C)Cn1cccn1)N1CCOCC1 ZINC000089791343 395715298 /nfs/dbraw/zinc/71/52/98/395715298.db2.gz POBVHRFGPVJFOH-LSDHHAIUSA-N 0 0 323.441 0.928 50 0 DCAARN O=C(NCCCc1nc2c(s1)CCCC2)[C@@H]1CNC(=O)N1 ZINC000089819207 395715317 /nfs/dbraw/zinc/71/53/17/395715317.db2.gz BMSWTURGVLYESL-JTQLQIEISA-N 0 0 308.407 0.752 50 0 DCAARN C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCC(C(N)=O)CC1)C2=O ZINC000033029251 395715917 /nfs/dbraw/zinc/71/59/17/395715917.db2.gz NTFROZIUAQQUAJ-BZNIZROVSA-N 0 0 322.409 0.642 50 0 DCAARN C[C@H](CN1CCOCC1)NC(=O)NCc1nnc2ccccn21 ZINC000089900545 395716294 /nfs/dbraw/zinc/71/62/94/395716294.db2.gz VEKYBNSUICQFJG-GFCCVEGCSA-N 0 0 318.381 0.249 50 0 DCAARN C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1nnc2n1CCCCC2 ZINC000089913877 395716420 /nfs/dbraw/zinc/71/64/20/395716420.db2.gz QSPLIAFZEFRXOK-QWRGUYRKSA-N 0 0 305.382 0.660 50 0 DCAARN CCOC(=O)c1c(CC)[nH]nc1S(=O)(=O)NCC1CC1 ZINC000033256055 395716859 /nfs/dbraw/zinc/71/68/59/395716859.db2.gz FCRZRENISFHFKJ-UHFFFAOYSA-N 0 0 301.368 0.837 50 0 DCAARN CC(C)(CO)NS(=O)(=O)c1ccc(Cl)c(C(N)=O)c1 ZINC000033359697 395716891 /nfs/dbraw/zinc/71/68/91/395716891.db2.gz RWPNRHPXXPAISO-UHFFFAOYSA-N 0 0 306.771 0.488 50 0 DCAARN O=c1[nH]cc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000033327134 395717026 /nfs/dbraw/zinc/71/70/26/395717026.db2.gz PLPQKEAQPMQDSE-LLVKDONJSA-N 0 0 321.358 0.831 50 0 DCAARN CCOC(=O)C(Cc1ccncc1)(NC(C)=O)C(=O)OCC ZINC000034161533 395718109 /nfs/dbraw/zinc/71/81/09/395718109.db2.gz RGXXPOSPOXYBRD-UHFFFAOYSA-N 0 0 308.334 0.625 50 0 DCAARN Cn1c(=O)c(=O)n(CC(=O)NCc2ccco2)c2cccnc21 ZINC000035449419 395720883 /nfs/dbraw/zinc/72/08/83/395720883.db2.gz LEHLPLVTMUWSHX-UHFFFAOYSA-N 0 0 314.301 0.005 50 0 DCAARN Cc1cccc(C(=O)c2c(CN3CC3)n(C)c(=O)n(C)c2=O)c1 ZINC000036357457 395723211 /nfs/dbraw/zinc/72/32/11/395723211.db2.gz GDUUOEMMJCRDMA-UHFFFAOYSA-N 0 0 313.357 0.439 50 0 DCAARN O=C(CNC(=O)N[C@H]1CCS(=O)(=O)C1)Nc1ccccc1 ZINC000036358878 395723316 /nfs/dbraw/zinc/72/33/16/395723316.db2.gz SYOWMEKTDROWDL-NSHDSACASA-N 0 0 311.363 0.111 50 0 DCAARN C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCCO1 ZINC000026402454 395694343 /nfs/dbraw/zinc/69/43/43/395694343.db2.gz CXGJYSIZXLITIU-OLZOCXBDSA-N 0 0 305.382 0.876 50 0 DCAARN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCNC(=O)C2)C1 ZINC000028622747 395696080 /nfs/dbraw/zinc/69/60/80/395696080.db2.gz WRLYGJBLDTXXAX-NSHDSACASA-N 0 0 311.382 0.592 50 0 DCAARN CCNC(=O)COc1ccc(N[C@H](C)C(=O)NC(N)=O)cc1 ZINC000028377435 395696099 /nfs/dbraw/zinc/69/60/99/395696099.db2.gz PODPNDHMBGEGCH-SECBINFHSA-N 0 0 308.338 0.197 50 0 DCAARN C[C@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CCO1 ZINC000029442349 395698251 /nfs/dbraw/zinc/69/82/51/395698251.db2.gz XPVSIAJASCGKQU-FZMZJTMJSA-N 0 0 316.361 0.354 50 0 DCAARN CCNC(=O)CN1CCN(c2ncnc3ccsc32)CC1 ZINC000029529374 395698738 /nfs/dbraw/zinc/69/87/38/395698738.db2.gz GUCXJUKBWHZCTH-UHFFFAOYSA-N 0 0 305.407 0.949 50 0 DCAARN CCN1C(=O)N[C@](C)([C@H]2CCCN(Cc3nc(C)no3)C2)C1=O ZINC000095402600 395740504 /nfs/dbraw/zinc/74/05/04/395740504.db2.gz RVSYQCZIHRHXAU-XHDPSFHLSA-N 0 0 321.381 0.920 50 0 DCAARN O=C(Cn1ccccc1=O)NC1CCN(c2ncccn2)CC1 ZINC000040529270 395734072 /nfs/dbraw/zinc/73/40/72/395734072.db2.gz CILZNZKGRZDWNK-UHFFFAOYSA-N 0 0 313.361 0.424 50 0 DCAARN Cc1nc(C(=O)N2CCOCC2)cc(N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000096182762 395747546 /nfs/dbraw/zinc/74/75/46/395747546.db2.gz NKZVLIHDSSKSQU-TXEJJXNPSA-N 0 0 320.393 0.871 50 0 DCAARN Cc1cc(C(=O)NCCC(=O)NCCCn2cccn2)n(C)n1 ZINC000096192427 395748268 /nfs/dbraw/zinc/74/82/68/395748268.db2.gz MWHURMJXOQVLQB-UHFFFAOYSA-N 0 0 318.381 0.251 50 0 DCAARN O=C(NCc1nccc(N2CCOCC2)n1)c1cnccn1 ZINC000096120880 395745565 /nfs/dbraw/zinc/74/55/65/395745565.db2.gz PYFYJNJUQLAWNU-UHFFFAOYSA-N 0 0 300.322 0.033 50 0 DCAARN Cn1cc(S(=O)(=O)N2CCC3(CC2)OCCCO3)cn1 ZINC000096120507 395745708 /nfs/dbraw/zinc/74/57/08/395745708.db2.gz KOQFJNAWLSTHTM-UHFFFAOYSA-N 0 0 301.368 0.338 50 0 DCAARN NC(=O)[C@@H]1CCN(C(=O)/C=C\c2cnn(-c3ccccc3)n2)C1 ZINC000096296711 395752483 /nfs/dbraw/zinc/75/24/83/395752483.db2.gz UMSOJUYCQLPWLU-ZHRWSRJISA-N 0 0 311.345 0.614 50 0 DCAARN O=C(NCCn1ccnc1)NC1CCN(c2ncccn2)CC1 ZINC000043310858 395752593 /nfs/dbraw/zinc/75/25/93/395752593.db2.gz GVZUOKKVZKPHGF-UHFFFAOYSA-N 0 0 315.381 0.641 50 0 DCAARN CCOC(=O)/C=C\C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000096488026 395753984 /nfs/dbraw/zinc/75/39/84/395753984.db2.gz SFEHLYWUBVGMIP-FPLPWBNLSA-N 0 0 320.301 0.387 50 0 DCAARN CC(=O)c1cn(Cc2c(C)nc3ccccn32)c(=O)n(C)c1=O ZINC000096472021 395754084 /nfs/dbraw/zinc/75/40/84/395754084.db2.gz AZJOOQGUDASVJZ-UHFFFAOYSA-N 0 0 312.329 0.754 50 0 DCAARN Cc1cc(NC(=O)CN2CCN(c3cnccn3)CC2)on1 ZINC000043754348 395754366 /nfs/dbraw/zinc/75/43/66/395754366.db2.gz ZAODZUUUNIFJDC-UHFFFAOYSA-N 0 0 302.338 0.534 50 0 DCAARN CCOC(=O)[C@@H](N)CS[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000097466812 395758210 /nfs/dbraw/zinc/75/82/10/395758210.db2.gz PUEJXRMYHGJBIJ-NWDGAFQWSA-N 0 0 322.386 0.942 50 0 DCAARN O=C(CCC(=O)N1CCCCCC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000096661589 395754563 /nfs/dbraw/zinc/75/45/63/395754563.db2.gz ZSAOKERUGYQJDO-GFCCVEGCSA-N 0 0 316.423 0.473 50 0 DCAARN C[C@]1(NC(=O)CN2CCOc3ccccc32)CCS(=O)(=O)C1 ZINC000043783306 395754687 /nfs/dbraw/zinc/75/46/87/395754687.db2.gz GCEIKSPBQLLFFF-HNNXBMFYSA-N 0 0 324.402 0.579 50 0 DCAARN Cc1nnc2n1C[C@H](NC(=O)CCOC[C@@H]1CCCO1)CC2 ZINC000097198401 395755517 /nfs/dbraw/zinc/75/55/17/395755517.db2.gz VQKNMFLUSWFVAJ-OLZOCXBDSA-N 0 0 308.382 0.603 50 0 DCAARN O=C(CN1CCCCC1=O)NCCc1nnc2n1CCCCC2 ZINC000097292306 395756907 /nfs/dbraw/zinc/75/69/07/395756907.db2.gz ZWMVGBWGPIHMDD-UHFFFAOYSA-N 0 0 319.409 0.676 50 0 DCAARN O=C(NCc1cn2c(n1)SCC2)c1ccn2nnnc2c1 ZINC000097413174 395757525 /nfs/dbraw/zinc/75/75/25/395757525.db2.gz VUUKOWQJIWDFHP-UHFFFAOYSA-N 0 0 301.335 0.357 50 0 DCAARN CNC(=O)CN1CCC(NC(=O)NCc2ccc(C)nc2)CC1 ZINC000046868866 395781527 /nfs/dbraw/zinc/78/15/27/395781527.db2.gz WEJSFSQSZUWCEO-UHFFFAOYSA-N 0 0 319.409 0.400 50 0 DCAARN Cc1noc([C@@H](C)N2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)n1 ZINC000107354364 395785700 /nfs/dbraw/zinc/78/57/00/395785700.db2.gz MEPKGGHBKYYOGE-OTYXRUKQSA-N 0 0 307.354 0.844 50 0 DCAARN Cc1nc(N2CCN(Cc3cn[nH]n3)C[C@H](O)C2)sc1C ZINC000097730064 395760204 /nfs/dbraw/zinc/76/02/04/395760204.db2.gz MGIISJZOBXYRFF-LBPRGKRZSA-N 0 0 308.411 0.561 50 0 DCAARN O=C([O-])c1cccc(C(=O)NCCC[N@H+]2CCC[C@H](O)C2)c1 ZINC000097717018 395760492 /nfs/dbraw/zinc/76/04/92/395760492.db2.gz ZJDIDGFOODAZBO-AWEZNQCLSA-N 0 0 306.362 0.961 50 0 DCAARN COc1nccnc1NC1CCN(C(=O)CNC(C)=O)CC1 ZINC000097942286 395761436 /nfs/dbraw/zinc/76/14/36/395761436.db2.gz QVSCHDUQAXIODA-UHFFFAOYSA-N 0 0 307.354 0.024 50 0 DCAARN CN1CCN([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000101264885 395764207 /nfs/dbraw/zinc/76/42/07/395764207.db2.gz HDUGVQZKQOYKMD-CYBMUJFWSA-N 0 0 309.316 0.844 50 0 DCAARN CCn1nc(C)c([C@@H]2C(C(N)=O)=C(C)Nc3ncnn32)c1C ZINC000102450219 395770164 /nfs/dbraw/zinc/77/01/64/395770164.db2.gz KPZSCLVOTQXZSE-GFCCVEGCSA-N 0 0 301.354 0.886 50 0 DCAARN CCN1C[C@@H](C(=O)NCCc2cn3ccccc3n2)CC1=O ZINC000046195639 395772768 /nfs/dbraw/zinc/77/27/68/395772768.db2.gz QZRHRAFLLPZBGQ-LBPRGKRZSA-N 0 0 300.362 0.861 50 0 DCAARN CC(=O)N(C)CC(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000046213649 395773576 /nfs/dbraw/zinc/77/35/76/395773576.db2.gz JMEOBRWJZRORGA-UHFFFAOYSA-N 0 0 306.366 0.013 50 0 DCAARN CCN1C[C@H](C(=O)NCc2ccnc(-n3cccn3)c2)CC1=O ZINC000048340656 395813924 /nfs/dbraw/zinc/81/39/24/395813924.db2.gz VIDAJMCIEXWDCM-CYBMUJFWSA-N 0 0 313.361 0.752 50 0 DCAARN CCN1C[C@@H](C(=O)NCc2ccnc(-n3cccn3)c2)CC1=O ZINC000048340659 395813933 /nfs/dbraw/zinc/81/39/33/395813933.db2.gz VIDAJMCIEXWDCM-ZDUSSCGKSA-N 0 0 313.361 0.752 50 0 DCAARN COc1cncc(O[C@H]2CCN(C(=O)N3CCN(C)CC3)C2)n1 ZINC000225396278 395859068 /nfs/dbraw/zinc/85/90/68/395859068.db2.gz VOUNEVAZKSRYIH-LBPRGKRZSA-N 0 0 321.381 0.306 50 0 DCAARN CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1cccnc1 ZINC000112708186 395822767 /nfs/dbraw/zinc/82/27/67/395822767.db2.gz OBONVDIZNNTSJE-JTQLQIEISA-N 0 0 306.409 0.525 50 0 DCAARN Cc1ccc(-c2nc(C(=O)NC(C)(CO)CO)cs2)n1C ZINC000195567823 395831492 /nfs/dbraw/zinc/83/14/92/395831492.db2.gz PCRDXFYWADSQKM-UHFFFAOYSA-N 0 0 309.391 0.930 50 0 DCAARN OC[C@H]1O[C@H](Oc2cccc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O ZINC000049543712 395832555 /nfs/dbraw/zinc/83/25/55/395832555.db2.gz CVAOQMBKGUKOIZ-LJIZCISZSA-N 0 0 306.314 0.019 50 0 biogenic DCAARN COCCNC(=O)N1CC(c2nc(-c3ncccn3)no2)C1 ZINC000049483246 395832654 /nfs/dbraw/zinc/83/26/54/395832654.db2.gz JHXGLJDFDJBZFN-UHFFFAOYSA-N 0 0 304.310 0.282 50 0 DCAARN O=C(NCc1ccccn1)C(=O)Nc1cccc(-n2cnnc2)c1 ZINC000049545674 395832696 /nfs/dbraw/zinc/83/26/96/395832696.db2.gz IXKYUPINMGDQSE-UHFFFAOYSA-N 0 0 322.328 0.917 50 0 DCAARN CC(=O)c1cccc(C(=O)NCCCN2CCNC(=O)C2)c1 ZINC000271056945 395834213 /nfs/dbraw/zinc/83/42/13/395834213.db2.gz UYDKKIHGLMPOBL-UHFFFAOYSA-N 0 0 303.362 0.441 50 0 DCAARN Cc1ccc(O[C@@H]2CCN(C(=O)N3CCN(C)CC3)C2)nn1 ZINC000225430917 395860113 /nfs/dbraw/zinc/86/01/13/395860113.db2.gz DSERQNZFCZZSIY-CYBMUJFWSA-N 0 0 305.382 0.606 50 0 DCAARN Cc1ccc(-n2cc(C(=O)N3CC[C@@](C)(C(N)=O)C3)nn2)cc1 ZINC000225446363 395860142 /nfs/dbraw/zinc/86/01/42/395860142.db2.gz QNNOCGHIIIHXKT-MRXNPFEDSA-N 0 0 313.361 0.913 50 0 DCAARN Cc1cccc(OCCC(=O)N2CCO[C@@H](C(N)=O)C2)c1C ZINC000050853876 395841905 /nfs/dbraw/zinc/84/19/05/395841905.db2.gz NXAVSMDYYOPPNJ-CQSZACIVSA-N 0 0 306.362 0.785 50 0 DCAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)CN1CC(=O)NC1=O ZINC000218883636 395843418 /nfs/dbraw/zinc/84/34/18/395843418.db2.gz PTWVSYRNQFJBSJ-SNVBAGLBSA-N 0 0 306.322 0.507 50 0 DCAARN Nc1n[nH]c(CCNC(=O)CCc2ccc3c(c2)OCO3)n1 ZINC000218958594 395843918 /nfs/dbraw/zinc/84/39/18/395843918.db2.gz ARECSEMBDQTKLH-UHFFFAOYSA-N 0 0 303.322 0.407 50 0 DCAARN COCC1(CNC(=O)c2c[nH]nc2-n2cnnn2)CCCC1 ZINC000219303035 395844779 /nfs/dbraw/zinc/84/47/79/395844779.db2.gz QKMYQVCSXWKFLF-UHFFFAOYSA-N 0 0 305.342 0.322 50 0 DCAARN O=C(CN1CCOc2ccccc2C1)NCCN1CCNC1=O ZINC000219319167 395845369 /nfs/dbraw/zinc/84/53/69/395845369.db2.gz ZIKXQVMLCMWNKZ-UHFFFAOYSA-N 0 0 318.377 0.022 50 0 DCAARN CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1c(C)[nH]c(C)cc1=O ZINC000219918015 395847334 /nfs/dbraw/zinc/84/73/34/395847334.db2.gz KCZQQGUOIGQABH-AQNFWKISSA-N 0 0 319.361 0.014 50 0 DCAARN C[C@@H](NS(C)(=O)=O)C(=O)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000220348163 395847641 /nfs/dbraw/zinc/84/76/41/395847641.db2.gz ZFXBZKAZNAZJMS-SECBINFHSA-N 0 0 322.390 0.426 50 0 DCAARN CN(CC1(CO)CCOCC1)C(=O)Cn1nc2ccccc2n1 ZINC000220443880 395848408 /nfs/dbraw/zinc/84/84/08/395848408.db2.gz PWABWINXYXVWPE-UHFFFAOYSA-N 0 0 318.377 0.679 50 0 DCAARN Cc1nc(N)ncc1C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000220475689 395848752 /nfs/dbraw/zinc/84/87/52/395848752.db2.gz WQLJWDOBNZXFEU-UHFFFAOYSA-N 0 0 310.321 0.477 50 0 DCAARN C[C@@H](Cn1cccn1)NC(=O)c1nc(N)nc2c1CCCC2 ZINC000220648708 395849670 /nfs/dbraw/zinc/84/96/70/395849670.db2.gz ZPPAQWNVBWGIOZ-JTQLQIEISA-N 0 0 300.366 0.953 50 0 DCAARN O=C(Cn1cnnc1)N[C@@H]1COCC[C@H]1OCc1ccccn1 ZINC000223085721 395853934 /nfs/dbraw/zinc/85/39/34/395853934.db2.gz NBAMTJJGNVBPLK-ZIAGYGMSSA-N 0 0 317.349 0.164 50 0 DCAARN CCNC(=O)NC(=O)CSc1nncn1CC(F)(F)F ZINC000051974450 395857709 /nfs/dbraw/zinc/85/77/09/395857709.db2.gz NVIQDIWZXKTETD-UHFFFAOYSA-N 0 0 311.289 0.778 50 0 DCAARN CC(=O)N[C@@H]1CCCN(C(=O)CN(C)Cc2cscn2)C1 ZINC000194423521 395796602 /nfs/dbraw/zinc/79/66/02/395796602.db2.gz KZVSZKBJGIPPSR-GFCCVEGCSA-N 0 0 310.423 0.702 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000053893295 395890805 /nfs/dbraw/zinc/89/08/05/395890805.db2.gz HOIBDMGSIYGWFT-CABZTGNLSA-N 0 0 319.386 0.823 50 0 DCAARN CCOC(=O)C1CCN(Cc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000054417596 395900028 /nfs/dbraw/zinc/90/00/28/395900028.db2.gz ONYDGBQUVFRYGJ-UHFFFAOYSA-N 0 0 319.365 0.432 50 0 DCAARN CC(=O)N1CCC[C@H](C(=O)N[C@@H](C(N)=O)c2ccccc2)C1 ZINC000055209606 395913465 /nfs/dbraw/zinc/91/34/65/395913465.db2.gz ARGLMOCWHTUFEO-UONOGXRCSA-N 0 0 303.362 0.588 50 0 DCAARN C[C@@H](NC(=O)CCNC(=O)c1ccccc1F)c1nc[nH]n1 ZINC000055271292 395915703 /nfs/dbraw/zinc/91/57/03/395915703.db2.gz NFNUXAFCMJMVNT-SECBINFHSA-N 0 0 305.313 0.941 50 0 DCAARN CCNC(=O)[C@H]1CCN(C(=O)CSc2nnc(N)s2)C1 ZINC000055309371 395916694 /nfs/dbraw/zinc/91/66/94/395916694.db2.gz FNCPPQSDJAVTHV-ZETCQYMHSA-N 0 0 315.424 0.197 50 0 DCAARN O=C(CCNC(=O)c1ccccc1F)NCCCn1cncn1 ZINC000055392813 395918685 /nfs/dbraw/zinc/91/86/85/395918685.db2.gz ZPRCACNSOQFQTJ-UHFFFAOYSA-N 0 0 319.340 0.744 50 0 DCAARN Cn1cc([C@H](NS(=O)(=O)N2CCCC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244853039 395925867 /nfs/dbraw/zinc/92/58/67/395925867.db2.gz VEDXCOAFMGUBFP-KGYLQXTDSA-N 0 0 314.411 0.162 50 0 DCAARN Cn1cc([C@@H](NC(=O)c2[nH]nc(N)c2Cl)[C@H]2C[C@@H](O)C2)cn1 ZINC000244873505 395926231 /nfs/dbraw/zinc/92/62/31/395926231.db2.gz WRJCGQAVJCPTNN-IONOHQLYSA-N 0 0 324.772 0.621 50 0 DCAARN CCOC(=O)[C@@H](C)CNC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000225564677 395862221 /nfs/dbraw/zinc/86/22/21/395862221.db2.gz DYMQEQZDTDFGJC-VIFPVBQESA-N 0 0 314.363 0.263 50 0 DCAARN CC(C)OC(=O)CC[C@@H](C)NC(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000225702145 395862274 /nfs/dbraw/zinc/86/22/74/395862274.db2.gz GWLGZUUMPWUWKB-VXGBXAGGSA-N 0 0 313.398 0.979 50 0 DCAARN O=C(c1ccc2c(c1)OCO2)N1CC[C@H](N2C(=O)COC2=O)C1 ZINC000225699347 395862302 /nfs/dbraw/zinc/86/23/02/395862302.db2.gz KKJBHCPPTBBRGD-JTQLQIEISA-N 0 0 318.285 0.609 50 0 DCAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(n2ccnn2)C1 ZINC000225694369 395862410 /nfs/dbraw/zinc/86/24/10/395862410.db2.gz OLYKLJHBLMOKSP-UHFFFAOYSA-N 0 0 322.346 0.295 50 0 DCAARN C[C@@H]1CN(C(=O)CCNc2ncnc3c2cnn3C)C[C@H](C)O1 ZINC000052445199 395863573 /nfs/dbraw/zinc/86/35/73/395863573.db2.gz ZZRXCECZQRXLSN-PHIMTYICSA-N 0 0 318.381 0.801 50 0 DCAARN C[C@@H](C(=O)NC1CCCC1)N1CCN(S(C)(=O)=O)CC1 ZINC000052797899 395870456 /nfs/dbraw/zinc/87/04/56/395870456.db2.gz NSIRMNZIUYZWFK-NSHDSACASA-N 0 0 303.428 0.011 50 0 DCAARN C[C@@H]1CCCN(C(=O)CN2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000229520395 395874580 /nfs/dbraw/zinc/87/45/80/395874580.db2.gz PFGIVHBZOWIHRB-CHWSQXEVSA-N 0 0 317.455 0.259 50 0 DCAARN CCc1noc([C@@H](C)N2CCC[C@@H](CNS(N)(=O)=O)C2)n1 ZINC000229795433 395876181 /nfs/dbraw/zinc/87/61/81/395876181.db2.gz FGKKNWSUNYYHAX-ZJUUUORDSA-N 0 0 317.415 0.198 50 0 DCAARN O=C(NC[C@H](O)COc1cccc(F)c1)c1ccc[n+]([O-])c1 ZINC000056671290 395932592 /nfs/dbraw/zinc/93/25/92/395932592.db2.gz QFHUDYBAJPYNLP-ZDUSSCGKSA-N 0 0 306.293 0.629 50 0 DCAARN CS(=O)(=O)N1CCCN(Cc2nnc(C3CC3)o2)CC1 ZINC000058158935 395951581 /nfs/dbraw/zinc/95/15/81/395951581.db2.gz UYOVGQLGSPGZBP-UHFFFAOYSA-N 0 0 300.384 0.414 50 0 DCAARN CCOC(=O)CCNC(=O)C1CCN(c2ncccn2)CC1 ZINC000058210910 395951674 /nfs/dbraw/zinc/95/16/74/395951674.db2.gz YPCSNVYGDIFNQP-UHFFFAOYSA-N 0 0 306.366 0.762 50 0 DCAARN COC(=O)Cc1nnn(CC(=O)N2CCCc3ccccc32)n1 ZINC000058363746 395953003 /nfs/dbraw/zinc/95/30/03/395953003.db2.gz KNGWPMGQBWFCDN-UHFFFAOYSA-N 0 0 315.333 0.368 50 0 DCAARN C[C@H]1CN=C2C=C(N3CCN(C(=O)c4ccccn4)CC3)N=CN21 ZINC000065265386 395990966 /nfs/dbraw/zinc/99/09/66/395990966.db2.gz WDQUKEIJSYDXFX-ZDUSSCGKSA-N 0 0 324.388 0.825 50 0 DCAARN COc1ccc(CN2CC[C@H](NS(=O)(=O)C3CC3)C2)cn1 ZINC000065267418 395991138 /nfs/dbraw/zinc/99/11/38/395991138.db2.gz KKGZOEVRUPRBFH-LBPRGKRZSA-N 0 0 311.407 0.746 50 0 DCAARN COCc1cc(=O)n(CC(=O)Nc2ccc(OC)cc2)c(N)n1 ZINC000065310957 395992119 /nfs/dbraw/zinc/99/21/19/395992119.db2.gz YWLCCGSRXTVUSI-UHFFFAOYSA-N 0 0 318.333 0.619 50 0 DCAARN CN(Cc1cnc(N)nc1)c1cc(N2CCOCC2)ncn1 ZINC000065370557 395993085 /nfs/dbraw/zinc/99/30/85/395993085.db2.gz QCVSPSACJZYUQS-UHFFFAOYSA-N 0 0 301.354 0.322 50 0 DCAARN CC(=O)Nc1nc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)cs1 ZINC000151807063 395993510 /nfs/dbraw/zinc/99/35/10/395993510.db2.gz YSXOTAORBSDSJZ-WDEREUQCSA-N 0 0 310.379 0.257 50 0 DCAARN O=C(Cc1c[nH]cn1)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 ZINC000252536493 396022691 /nfs/dbraw/zinc/02/26/91/396022691.db2.gz IRYHMLYZLVHDEA-VHDGCEQUSA-N 0 0 300.362 0.846 50 0 DCAARN O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)N1CCNC1=O ZINC000252549107 396023431 /nfs/dbraw/zinc/02/34/31/396023431.db2.gz QVCSSKGIURPQDA-XYPYZODXSA-N 0 0 305.338 0.901 50 0 DCAARN COc1cccc(CN2C[C@@H](CO)[C@H](NC(=O)C3CCC3)C2)n1 ZINC000253410288 396026834 /nfs/dbraw/zinc/02/68/34/396026834.db2.gz NDOGSEWFECVODS-DZGCQCFKSA-N 0 0 319.405 0.799 50 0 DCAARN COC[C@@H]1CN(C(=O)c2ccc(OC)cc2C)C[C@H]1C(N)=O ZINC000253397010 396027111 /nfs/dbraw/zinc/02/71/11/396027111.db2.gz BIRQCIKWKDUHPC-SMDDNHRTSA-N 0 0 306.362 0.824 50 0 DCAARN CNc1nc(C)cc(C(=O)N(C)CC(=O)Nc2cc(C)on2)n1 ZINC000253419431 396027778 /nfs/dbraw/zinc/02/77/78/396027778.db2.gz RHQHPXXCVJIIKW-UHFFFAOYSA-N 0 0 318.337 0.834 50 0 DCAARN CS(=O)(=O)N1CCC(NC(=O)c2c(O)cccc2O)CC1 ZINC000067513459 396027788 /nfs/dbraw/zinc/02/77/88/396027788.db2.gz MEXABHRKQIICBA-UHFFFAOYSA-N 0 0 314.363 0.252 50 0 DCAARN Cn1cc(N2CC[C@H](N3C(=O)N4CCC[C@@]4(C)C3=O)C2=O)cn1 ZINC000253420262 396028249 /nfs/dbraw/zinc/02/82/49/396028249.db2.gz KBIWOSKQWJBDIH-NHYWBVRUSA-N 0 0 317.349 0.342 50 0 DCAARN O=C(CN1CCCCCCC1=O)NC[C@H](CO)[C@@H]1CCOC1 ZINC000253427826 396028628 /nfs/dbraw/zinc/02/86/28/396028628.db2.gz AXCIZAMGCPKJQO-ZIAGYGMSSA-N 0 0 312.410 0.540 50 0 DCAARN CCOC(=O)C1(C(=O)N[C@@H]2CN(c3ccccc3)C2=O)CC1 ZINC000253432361 396028718 /nfs/dbraw/zinc/02/87/18/396028718.db2.gz ZPZWCZRTXWWTMW-GFCCVEGCSA-N 0 0 302.330 0.861 50 0 DCAARN O=C(c1ccc2nccnc2c1)N1CC(N2C(=O)CNC2=O)C1 ZINC000253473715 396029328 /nfs/dbraw/zinc/02/93/28/396029328.db2.gz XLXVNBXHGNYLPP-UHFFFAOYSA-N 0 0 311.301 0.006 50 0 DCAARN COc1ccc(C(=O)N2CCOCCNC(=O)CC2)c(OC)n1 ZINC000257183670 396034166 /nfs/dbraw/zinc/03/41/66/396034166.db2.gz SCQVDAMSYFZTBD-UHFFFAOYSA-N 0 0 323.349 0.078 50 0 DCAARN CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccccc1-c1nn[nH]n1 ZINC000067840538 396035510 /nfs/dbraw/zinc/03/55/10/396035510.db2.gz CGWQSODILUKZQN-GFCCVEGCSA-N 0 0 314.349 0.463 50 0 DCAARN O=C(CN1CCCC1=O)N1CCCCCNC(=O)[C@@H]2CCC[C@@H]21 ZINC000257195637 396036057 /nfs/dbraw/zinc/03/60/57/396036057.db2.gz WOBOOJTXZRPSCH-KGLIPLIRSA-N 0 0 321.421 0.906 50 0 DCAARN CC(C)c1noc(CCNC(=O)CN2C(=O)NC(C)(C)C2=O)n1 ZINC000068148879 396048034 /nfs/dbraw/zinc/04/80/34/396048034.db2.gz VPFXYWPDGGYIQO-UHFFFAOYSA-N 0 0 323.353 0.182 50 0 DCAARN COCc1ccc(C(=O)N2CCNC[C@@H]2c2nccn2C)o1 ZINC000261779439 396065221 /nfs/dbraw/zinc/06/52/21/396065221.db2.gz SFZADXKQAMFGGR-GFCCVEGCSA-N 0 0 304.350 0.946 50 0 DCAARN CCN(CC(=O)NC(C)C)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000152337116 396006728 /nfs/dbraw/zinc/00/67/28/396006728.db2.gz NLEKEMAZSRUJFQ-AWEZNQCLSA-N 0 0 321.425 0.762 50 0 DCAARN C[C@H](NC(=O)c1cccc(OCC(F)F)n1)c1nnnn1C ZINC000252496502 396021633 /nfs/dbraw/zinc/02/16/33/396021633.db2.gz PJZZIPHZGRSEHX-ZETCQYMHSA-N 0 0 312.280 0.740 50 0 DCAARN CCn1nc(C)c(CNC(=O)[C@@H](C)NS(C)(=O)=O)c1C ZINC000067178580 396021768 /nfs/dbraw/zinc/02/17/68/396021768.db2.gz JOIGIHXWIHNOBT-SECBINFHSA-N 0 0 302.400 0.074 50 0 DCAARN Cc1cc(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)on1 ZINC000069662436 396086137 /nfs/dbraw/zinc/08/61/37/396086137.db2.gz ZNYBZUPIOQHMCY-LBPRGKRZSA-N 0 0 304.354 0.925 50 0 DCAARN COc1cc(C)nc(N2CCN(C(=O)[C@@H]3CCOC3)CC2)n1 ZINC000069656311 396086303 /nfs/dbraw/zinc/08/63/03/396086303.db2.gz NOZMYYMQOSKYMC-GFCCVEGCSA-N 0 0 306.366 0.479 50 0 DCAARN CCOC[C@H](O)CN1CCN(C(=O)Cc2cccs2)CC1 ZINC000069739950 396088478 /nfs/dbraw/zinc/08/84/78/396088478.db2.gz QZTHIPBABQFXGF-CYBMUJFWSA-N 0 0 312.435 0.832 50 0 DCAARN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H]1Cn1cccn1 ZINC000069742185 396089734 /nfs/dbraw/zinc/08/97/34/396089734.db2.gz RPYGDAZKECNSGC-OLZOCXBDSA-N 0 0 308.407 0.796 50 0 DCAARN CN(C)c1nccnc1O[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000169756441 396090861 /nfs/dbraw/zinc/09/08/61/396090861.db2.gz KRTNJQXODZFHQZ-CYBMUJFWSA-N 0 0 320.393 0.949 50 0 DCAARN CCNC(=O)N1CCc2nc(N3CCN(C)CC3)sc2C1 ZINC000169751809 396090936 /nfs/dbraw/zinc/09/09/36/396090936.db2.gz DOEPEJOFUXDXJW-UHFFFAOYSA-N 0 0 309.439 0.983 50 0 DCAARN CCCCn1nnnc1CN[C@H]1CCc2nc(CC)nn2C1 ZINC000069819982 396092361 /nfs/dbraw/zinc/09/23/61/396092361.db2.gz FDWLFGWHOGDAFP-NSHDSACASA-N 0 0 304.402 0.732 50 0 DCAARN CCN1C(=O)[C@@H]2CC3(CN2C1=O)CCN(S(C)(=O)=O)CC3 ZINC000169787255 396092674 /nfs/dbraw/zinc/09/26/74/396092674.db2.gz COCAEADFSXCJKP-JTQLQIEISA-N 0 0 315.395 0.085 50 0 DCAARN CCn1ccnc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000069878728 396094078 /nfs/dbraw/zinc/09/40/78/396094078.db2.gz GYEKZOAZDPDKKD-UHFFFAOYSA-N 0 0 312.381 0.663 50 0 DCAARN COC(=O)[C@H]1C[C@H](O)CN1CCn1c(C)nc2ccccc21 ZINC000170089393 396094355 /nfs/dbraw/zinc/09/43/55/396094355.db2.gz QSCZAIWNYNDGKZ-SWLSCSKDSA-N 0 0 303.362 0.953 50 0 DCAARN CNC(=O)N[C@H]1CCN(CC(=O)Nc2cc(C)ccc2OC)C1 ZINC000170597067 396095035 /nfs/dbraw/zinc/09/50/35/396095035.db2.gz KNLXALAWXPEIIE-LBPRGKRZSA-N 0 0 320.393 0.945 50 0 DCAARN CCO[C@@H]1C[C@@](NC(=O)CNC(=O)CC)(C(=O)OC)C1(C)C ZINC000170602653 396095149 /nfs/dbraw/zinc/09/51/49/396095149.db2.gz CCPMSFMNVVONCH-MEBBXXQBSA-N 0 0 314.382 0.376 50 0 DCAARN CCOC(=O)[C@](C)(CNC(=O)Cn1ccnn1)c1ccccc1 ZINC000170605714 396095187 /nfs/dbraw/zinc/09/51/87/396095187.db2.gz SFHJRDBMHFRFDW-MRXNPFEDSA-N 0 0 316.361 0.915 50 0 DCAARN C[C@H](C(=O)NCc1ccccc1F)N1CCN(CCO)CC1 ZINC000069948513 396095726 /nfs/dbraw/zinc/09/57/26/396095726.db2.gz JZGSBHVIGVUZOI-CYBMUJFWSA-N 0 0 309.385 0.440 50 0 DCAARN O=C(CCc1ccc2c(c1)CCO2)N[C@@H]1CCS(=O)(=O)C1 ZINC000170625385 396096169 /nfs/dbraw/zinc/09/61/69/396096169.db2.gz IQYSRXQTNKICLL-CYBMUJFWSA-N 0 0 309.387 0.857 50 0 DCAARN C[C@H]1CS(=O)(=O)CCN1CC(=O)N(C)Cc1ccco1 ZINC000170635519 396096259 /nfs/dbraw/zinc/09/62/59/396096259.db2.gz WWEGKZMQVKKGCX-NSHDSACASA-N 0 0 300.380 0.357 50 0 DCAARN CN(Cc1ccco1)C(=O)CN1CCO[C@@H](Cn2cncn2)C1 ZINC000069969199 396096653 /nfs/dbraw/zinc/09/66/53/396096653.db2.gz KYSUMQKLPCUPJE-CQSZACIVSA-N 0 0 319.365 0.231 50 0 DCAARN Cc1ccccc1CN(C)C(=O)CN1CCN(C[C@H](C)O)CC1 ZINC000070021164 396098146 /nfs/dbraw/zinc/09/81/46/396098146.db2.gz FNYKBACEGXIXMV-INIZCTEOSA-N 0 0 319.449 0.952 50 0 DCAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCN(CCO)CC1 ZINC000070040823 396099077 /nfs/dbraw/zinc/09/90/77/396099077.db2.gz QMZLADRIKUOTDE-CQSZACIVSA-N 0 0 323.412 0.955 50 0 DCAARN Cc1ccc(NC(=O)C(=O)NCC2(O)CCOCC2)cc1F ZINC000070639002 396102762 /nfs/dbraw/zinc/10/27/62/396102762.db2.gz FCSVEIMHMXIMIH-UHFFFAOYSA-N 0 0 310.325 0.730 50 0 DCAARN CN(CCc1nc2cc(F)ccc2[nH]1)C(=O)[C@H]1COC(=O)N1 ZINC000071589403 396114725 /nfs/dbraw/zinc/11/47/25/396114725.db2.gz FHFPZRKIISCIKG-LLVKDONJSA-N 0 0 306.297 0.811 50 0 DCAARN O=C(CCCn1cc(Br)cn1)N1CCNC(=O)C1 ZINC000071828307 396116665 /nfs/dbraw/zinc/11/66/65/396116665.db2.gz DHKMWSDVSUEOOS-UHFFFAOYSA-N 0 0 315.171 0.384 50 0 DCAARN CCO[C@H]1CCCN(C(=O)CN(C)c2ncnc3nc[nH]c32)C1 ZINC000071827142 396116985 /nfs/dbraw/zinc/11/69/85/396116985.db2.gz RMSZUJBMTSRBBP-NSHDSACASA-N 0 0 318.381 0.817 50 0 DCAARN CCCO[C@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)C1 ZINC000071836887 396117896 /nfs/dbraw/zinc/11/78/96/396117896.db2.gz YHWPVNJJZAXVMX-JTQLQIEISA-N 0 0 321.381 0.356 50 0 DCAARN CC1CCN(C(=O)CN2CCC[C@H](N3CCNC3=O)C2)CC1 ZINC000071830530 396117957 /nfs/dbraw/zinc/11/79/57/396117957.db2.gz IJXGQATWUFBJOP-AWEZNQCLSA-N 0 0 308.426 0.735 50 0 DCAARN O=C([C@H]1CCOC1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000071863749 396119290 /nfs/dbraw/zinc/11/92/90/396119290.db2.gz PFMXSWIWTNDTAB-HOTGVXAUSA-N 0 0 304.390 0.901 50 0 DCAARN CC(C)c1nnc2n1CCN(C(=O)CN(C)c1cnccn1)C2 ZINC000071864905 396119721 /nfs/dbraw/zinc/11/97/21/396119721.db2.gz DTDBQEDKAUMTJV-UHFFFAOYSA-N 0 0 315.381 0.670 50 0 DCAARN CCc1nc2n(n1)C[C@H](NCc1nnc(C3CC3)n1C)CC2 ZINC000071871781 396120135 /nfs/dbraw/zinc/12/01/35/396120135.db2.gz LXRNEJPBGLBCIS-LLVKDONJSA-N 0 0 301.398 0.951 50 0 DCAARN COc1cccc(COCC(=O)N2CCN(C[C@H](C)O)CC2)c1 ZINC000071871250 396120162 /nfs/dbraw/zinc/12/01/62/396120162.db2.gz IIHVFOXADHHQAB-AWEZNQCLSA-N 0 0 322.405 0.737 50 0 DCAARN COCCc1noc(CN2CCC[C@@H](Cn3cncn3)C2)n1 ZINC000071875109 396120309 /nfs/dbraw/zinc/12/03/09/396120309.db2.gz IHMRGXLDXPBIQO-GFCCVEGCSA-N 0 0 306.370 0.762 50 0 DCAARN Cc1noc2ncc(C(=O)N3CCN(C[C@H](C)O)CC3)cc12 ZINC000071871173 396120658 /nfs/dbraw/zinc/12/06/58/396120658.db2.gz YXRDHOHXYDECOW-JTQLQIEISA-N 0 0 304.350 0.670 50 0 DCAARN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCCC[C@@H]1Cn1cncn1 ZINC000071878708 396121798 /nfs/dbraw/zinc/12/17/98/396121798.db2.gz LNZIKERFRJALBS-RBSFLKMASA-N 0 0 321.425 0.816 50 0 DCAARN CN(CC(=O)N1CCOCC1)Cn1c2ccccc2n(C)c1=O ZINC000071896880 396123872 /nfs/dbraw/zinc/12/38/72/396123872.db2.gz MLGYEUIUKTWJKC-UHFFFAOYSA-N 0 0 318.377 0.088 50 0 DCAARN CN(CC(=O)N1CCN(C(=O)C2CC2)CC1)CC(F)(F)F ZINC000071900560 396124187 /nfs/dbraw/zinc/12/41/87/396124187.db2.gz KZXYLZQWONCPQO-UHFFFAOYSA-N 0 0 307.316 0.561 50 0 DCAARN COCc1ccccc1CNC(=O)CN1CCC[C@@H]1C(N)=O ZINC000071904303 396124510 /nfs/dbraw/zinc/12/45/10/396124510.db2.gz RXMDXSWDBQTJCR-CQSZACIVSA-N 0 0 305.378 0.399 50 0 DCAARN CN(C[C@H](O)COCc1ccccc1)c1ccc2nnnn2n1 ZINC000071900392 396124555 /nfs/dbraw/zinc/12/45/55/396124555.db2.gz HQYMYFZJCAJKDV-ZDUSSCGKSA-N 0 0 314.349 0.533 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCc2c1cccc2O ZINC000071920313 396125545 /nfs/dbraw/zinc/12/55/45/396125545.db2.gz APSHSORLFOKYMB-BXKDBHETSA-N 0 0 310.375 0.866 50 0 DCAARN COCCn1cc(C(=O)N[C@@H]2CCc3nccn3C2)ccc1=O ZINC000072278661 396129238 /nfs/dbraw/zinc/12/92/38/396129238.db2.gz XFKYQLZLDYSVLY-CYBMUJFWSA-N 0 0 316.361 0.436 50 0 DCAARN O=C(N1CC[C@]2(C1)NC(=O)NC2=O)C1(c2ccccc2F)CC1 ZINC000072290671 396129901 /nfs/dbraw/zinc/12/99/01/396129901.db2.gz ANCWTYODGUYNKC-MRXNPFEDSA-N 0 0 317.320 0.668 50 0 DCAARN C[C@H](NC(=O)[C@H]1CCC(=O)NC1)c1nnc2n1CCCCC2 ZINC000069350117 396076043 /nfs/dbraw/zinc/07/60/43/396076043.db2.gz RMGHHVUWBSEXLF-QWRGUYRKSA-N 0 0 305.382 0.708 50 0 DCAARN Cc1cc(NC(=O)[C@H](C)S(=O)(=O)CCCCCO)no1 ZINC000069352109 396076083 /nfs/dbraw/zinc/07/60/83/396076083.db2.gz RESLUAPTHSKTMS-JTQLQIEISA-N 0 0 304.368 0.887 50 0 DCAARN Cc1nc(CN2CCN(C(=O)Cc3ccccn3)CC2)no1 ZINC000161994683 396077948 /nfs/dbraw/zinc/07/79/48/396077948.db2.gz NLZDGTGOBVZODT-UHFFFAOYSA-N 0 0 301.350 0.660 50 0 DCAARN CNC(=O)[C@H]1CCCN1CC(=O)NC(=O)NCc1ccccc1 ZINC000069454350 396078736 /nfs/dbraw/zinc/07/87/36/396078736.db2.gz KTMORYAQZPTEHW-CYBMUJFWSA-N 0 0 318.377 0.223 50 0 DCAARN Cc1cnn(C[C@@H]2CN(CC(=O)Nc3nncs3)CCO2)c1 ZINC000069491923 396080518 /nfs/dbraw/zinc/08/05/18/396080518.db2.gz VLFUSBSMQLKUAT-NSHDSACASA-N 0 0 322.394 0.383 50 0 DCAARN CCN1C[C@H](C(=O)Nc2ccc(OC)cc2C(=O)NC)CC1=O ZINC000069599655 396084356 /nfs/dbraw/zinc/08/43/56/396084356.db2.gz OUFUQZDYFSDTPO-SNVBAGLBSA-N 0 0 319.361 0.862 50 0 DCAARN Cn1cc([C@H]2CCCN2CC(=O)N[C@@H]2CCCCNC2=O)cn1 ZINC000069631977 396085470 /nfs/dbraw/zinc/08/54/70/396085470.db2.gz BEEAVARTTSRJEE-ZIAGYGMSSA-N 0 0 319.409 0.342 50 0 DCAARN NC(=O)NC(=O)CCNC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000176774395 396160816 /nfs/dbraw/zinc/16/08/16/396160816.db2.gz MTOIZMFEFXCMQE-BLLLJJGKSA-N 0 0 301.346 0.592 50 0 DCAARN Cc1nc(CN2CCN([C@H](C(N)=O)c3ccccc3)CC2)no1 ZINC000074311216 396163442 /nfs/dbraw/zinc/16/34/42/396163442.db2.gz QBSUXZJENPMYTP-HNNXBMFYSA-N 0 0 315.377 0.722 50 0 DCAARN COc1cc(NC(=O)N2CCN(CCO)C(=O)C2)cc(OC)c1 ZINC000075106535 396175968 /nfs/dbraw/zinc/17/59/68/396175968.db2.gz AFNNRLWTSVMXEP-UHFFFAOYSA-N 0 0 323.349 0.372 50 0 DCAARN CS(=O)(=O)CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000075511262 396181207 /nfs/dbraw/zinc/18/12/07/396181207.db2.gz DWYAHLZYTNHFPK-AWEZNQCLSA-N 0 0 310.419 0.812 50 0 DCAARN O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](n2cncn2)C1 ZINC000075583702 396181867 /nfs/dbraw/zinc/18/18/67/396181867.db2.gz KCWZUVUKMMWIMS-RYUDHWBXSA-N 0 0 312.395 0.266 50 0 DCAARN CCCn1nnnc1CN1CC[C@H](N(C)Cc2noc(C)n2)C1 ZINC000076047346 396192670 /nfs/dbraw/zinc/19/26/70/396192670.db2.gz HOTMPMHFUCFJFY-LBPRGKRZSA-N 0 0 320.401 0.481 50 0 DCAARN CCc1cnc(CN(C)[C@H]2CCN(CCS(C)(=O)=O)C2)o1 ZINC000076047789 396193941 /nfs/dbraw/zinc/19/39/41/396193941.db2.gz IIZQANAPPNVNKG-LBPRGKRZSA-N 0 0 315.439 0.788 50 0 DCAARN Cc1ccccc1Cc1nnn(Cc2nnc3n2CCOC3)n1 ZINC000280481468 396203915 /nfs/dbraw/zinc/20/39/15/396203915.db2.gz AALGUONOPZNJMM-UHFFFAOYSA-N 0 0 311.349 0.742 50 0 DCAARN C[C@@H]1C(=O)NCCN1S(=O)(=O)N1CCC[C@@H]1c1ccco1 ZINC000078880822 396256168 /nfs/dbraw/zinc/25/61/68/396256168.db2.gz YNJFTEREKVHYTM-GHMZBOCLSA-N 0 0 313.379 0.482 50 0 DCAARN NC(=O)NC1(C(=O)N2CCN(CC(F)F)CC2)CCCCC1 ZINC000078965890 396258823 /nfs/dbraw/zinc/25/88/23/396258823.db2.gz NISJFGGRBBECAI-UHFFFAOYSA-N 0 0 318.368 0.767 50 0 DCAARN C[C@@H]1CN=C(N2CCN(C[C@@H](O)Cn3cccn3)CC2)S1 ZINC000079497138 396265644 /nfs/dbraw/zinc/26/56/44/396265644.db2.gz HDPNWYWAENKUIG-CHWSQXEVSA-N 0 0 309.439 0.353 50 0 DCAARN CC(=O)c1ccc(OCC(=O)N2CCOC[C@H](CO)C2)cc1 ZINC000077284863 396217370 /nfs/dbraw/zinc/21/73/70/396217370.db2.gz AOTTYAWFPATSOI-ZDUSSCGKSA-N 0 0 307.346 0.735 50 0 DCAARN CCOC(=O)C[C@@H]1CCCCN1C(=O)CCn1nnnc1C ZINC000077523763 396224745 /nfs/dbraw/zinc/22/47/45/396224745.db2.gz ZCNYDTSOLMQVPB-LBPRGKRZSA-N 0 0 309.370 0.706 50 0 DCAARN C[C@@H]1CCN(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)[C@@H]1CO ZINC000190567253 396408520 /nfs/dbraw/zinc/40/85/20/396408520.db2.gz CHGQHSNMHPTCSG-KWCYVHTRSA-N 0 0 309.414 0.435 50 0 DCAARN CCNC(=O)NC(=O)CN1CCSC[C@H]1c1cnn(C)c1 ZINC000191209337 396416666 /nfs/dbraw/zinc/41/66/66/396416666.db2.gz PYTFORXFADQKCW-NSHDSACASA-N 0 0 311.411 0.356 50 0 DCAARN CN(C)S(=O)(=O)CCNC(=O)Nc1ccc(Cl)nc1 ZINC000289417954 396459309 /nfs/dbraw/zinc/45/93/09/396459309.db2.gz BBSLLWQAPGQLRA-UHFFFAOYSA-N 0 0 306.775 0.748 50 0 DCAARN CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ncc[nH]1 ZINC000293497927 396613317 /nfs/dbraw/zinc/61/33/17/396613317.db2.gz ZMUFDQASYHJCKR-UHFFFAOYSA-N 0 0 310.379 0.568 50 0 DCAARN COCCn1cnnc1CN(C)C(=O)c1cccc2ccnn21 ZINC000584886908 396632332 /nfs/dbraw/zinc/63/23/32/396632332.db2.gz KSDVAFYWIGMZNC-UHFFFAOYSA-N 0 0 314.349 0.844 50 0 DCAARN CC(C)Cc1cc(C(=O)NCCc2nc(N)cc(=O)[nH]2)no1 ZINC000584892388 396634075 /nfs/dbraw/zinc/63/40/75/396634075.db2.gz XJTHSBRBISNIMJ-UHFFFAOYSA-N 0 0 305.338 0.923 50 0 DCAARN CN1C[C@H](Cn2cnc3cc(Cl)ccc3c2=O)OCC1=O ZINC000584891896 396634099 /nfs/dbraw/zinc/63/40/99/396634099.db2.gz XESLTLVLSIFGLF-SNVBAGLBSA-N 0 0 307.737 0.907 50 0 DCAARN O=C(NCc1cc(C2CC2)n[nH]1)[C@@H]1CCCCn2nnnc21 ZINC000584892947 396634185 /nfs/dbraw/zinc/63/41/85/396634185.db2.gz WPIQGOJQCNKPEI-LLVKDONJSA-N 0 0 301.354 0.858 50 0 DCAARN NC(=O)[C@H](Cc1ccc(O)cc1)n1cnc2cccnc2c1=O ZINC000584901560 396637196 /nfs/dbraw/zinc/63/71/96/396637196.db2.gz VWZISFVZNVGJGK-ZDUSSCGKSA-N 0 0 310.313 0.766 50 0 DCAARN CCN1C[C@H](CNC(=O)c2cccc(-n3cnnc3)c2)CC1=O ZINC000584902572 396637199 /nfs/dbraw/zinc/63/71/99/396637199.db2.gz PFRAHKCONZJHLN-LBPRGKRZSA-N 0 0 313.361 0.866 50 0 DCAARN Cc1cc(C(=O)N[C@H]2CCc3nn(C)c(=O)cc3C2)nn1C ZINC000585149405 396642018 /nfs/dbraw/zinc/64/20/18/396642018.db2.gz OPQCPKXHCDJUGJ-NSHDSACASA-N 0 0 301.350 0.110 50 0 DCAARN COCc1cn([C@@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)nn1 ZINC000585149635 396642246 /nfs/dbraw/zinc/64/22/46/396642246.db2.gz FLOSJHJVHRUIOL-GFCCVEGCSA-N 0 0 304.354 0.554 50 0 DCAARN C[C@@H](C(=O)NCC1CCOCC1)n1nc2c(cc1=O)CCC2 ZINC000585150550 396642334 /nfs/dbraw/zinc/64/23/34/396642334.db2.gz PPFAPBLULMFYGT-NSHDSACASA-N 0 0 305.378 0.836 50 0 DCAARN CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)Nc1nc(CC(N)=O)cs1 ZINC000585149770 396642349 /nfs/dbraw/zinc/64/23/49/396642349.db2.gz NGVQBMVHOHDBPF-WPRPVWTQSA-N 0 0 324.406 0.518 50 0 DCAARN CC[C@H](CNS(C)(=O)=O)NC(=O)c1cccc(OC)c1 ZINC000295556389 396701195 /nfs/dbraw/zinc/70/11/95/396701195.db2.gz HTCWDIBNKXZNHV-LLVKDONJSA-N 0 0 300.380 0.753 50 0 DCAARN NC(=O)[C@]1(O)CCCN(C(=O)c2csc(C(F)(F)F)n2)C1 ZINC000375732958 396807885 /nfs/dbraw/zinc/80/78/85/396807885.db2.gz WNBSSJYWSVYDFG-JTQLQIEISA-N 0 0 323.296 0.614 50 0 DCAARN CC(=O)NCC(=O)N1CC[C@H](Oc2cnc3ccccc3n2)C1 ZINC000618255252 396942624 /nfs/dbraw/zinc/94/26/24/396942624.db2.gz OBTDWTPGVSOJKY-LBPRGKRZSA-N 0 0 314.345 0.746 50 0 DCAARN CS(=O)(=O)NCCC(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000618409459 396977258 /nfs/dbraw/zinc/97/72/58/396977258.db2.gz FGEKXHNWJHHTLY-UHFFFAOYSA-N 0 0 322.390 0.809 50 0 DCAARN O=C(NC[C@](O)(c1ccoc1)c1ccco1)N1CCNC1=O ZINC000390826193 397302189 /nfs/dbraw/zinc/30/21/89/397302189.db2.gz FFQLOHBLGHHNNZ-AWEZNQCLSA-N 0 0 305.290 0.843 50 0 DCAARN O=C(c1ccncn1)N1CC(n2cnnc2[C@H]2CCCO2)C1 ZINC000409421558 397358926 /nfs/dbraw/zinc/35/89/26/397358926.db2.gz FYTMMRTXUDCFMI-GFCCVEGCSA-N 0 0 300.322 0.617 50 0 DCAARN O=C(NCCc1ccccc1)C(=O)NC[C@]1(O)C=CCCC1 ZINC000606440493 397681183 /nfs/dbraw/zinc/68/11/83/397681183.db2.gz ZVVBTZCZWSCIIT-KRWDZBQOSA-N 0 0 302.374 0.933 50 0 DCAARN COc1ccc(/C=c2\sc3nc(=O)c(C)nn3c2=O)cc1 ZINC000000055712 286268911 /nfs/dbraw/zinc/26/89/11/286268911.db2.gz VMOGMNVDOQMWHN-XFFZJAGNSA-N 0 0 301.327 0.376 50 0 DCAARN COc1ccc([C@H]2NC(=O)Nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000020745539 286379696 /nfs/dbraw/zinc/37/96/96/286379696.db2.gz MTFBQKCCIWXMDB-SNVBAGLBSA-N 0 0 302.290 0.307 50 0 DCAARN CCc1nc(S(=O)(=O)CCNC(=O)C2CCCC2)n[nH]1 ZINC000128558138 158281127 /nfs/dbraw/zinc/28/11/27/158281127.db2.gz FIUDBUMTSKJFAT-UHFFFAOYSA-N 0 0 300.384 0.447 50 0 DCAARN COc1cccc(OC)c1C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000134389770 158327136 /nfs/dbraw/zinc/32/71/36/158327136.db2.gz TYGLNXXUFJCMOT-SMDDNHRTSA-N 0 0 306.362 0.859 50 0 DCAARN O=C(CN1CCCCC1=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000329144998 159067438 /nfs/dbraw/zinc/06/74/38/159067438.db2.gz WQCOZKMBGCJGLJ-MCIONIFRSA-N 0 0 310.394 0.387 50 0 DCAARN CCn1cc(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)nc1C ZINC000330592698 159198098 /nfs/dbraw/zinc/19/80/98/159198098.db2.gz RSQGERLJMDTWQT-MRVPVSSYSA-N 0 0 315.317 0.803 50 0 DCAARN Cc1cc(COC(=O)Cn2nnc3ccccc3c2=O)no1 ZINC000016275636 415149976 /nfs/dbraw/zinc/14/99/76/415149976.db2.gz MTVRABVNNLDNIF-UHFFFAOYSA-N 0 0 300.274 0.831 50 0 DCAARN Cc1cc(NC(=O)C(=O)NC[C@H](c2cccn2C)N(C)C)no1 ZINC000011898890 415150371 /nfs/dbraw/zinc/15/03/71/415150371.db2.gz IWPXQJKIAYLNAW-GFCCVEGCSA-N 0 0 319.365 0.679 50 0 DCAARN CC[C@H](C)OC(=O)C1=C(C)N[C@]2(O)c3ccccc3C(=O)[C@@]12O ZINC000019799476 415153868 /nfs/dbraw/zinc/15/38/68/415153868.db2.gz PVEWOSJNEVBRKX-QUEBZJCTSA-N 0 0 317.341 0.978 50 0 DCAARN CN(Cc1cnn(C)c1)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000025049847 415158022 /nfs/dbraw/zinc/15/80/22/415158022.db2.gz HIDUBRCJOWWGMA-UHFFFAOYSA-N 0 0 314.411 0.050 50 0 DCAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC1CCCC1 ZINC000000361556 415125374 /nfs/dbraw/zinc/12/53/74/415125374.db2.gz WHDKYBSWDYJFEK-UHFFFAOYSA-N 0 0 308.359 0.890 50 0 DCAARN CCOC(=O)CNc1nc(Cl)nc(N2CCOCC2)n1 ZINC000000105026 415125634 /nfs/dbraw/zinc/12/56/34/415125634.db2.gz QXHRRMIPXGYAAY-UHFFFAOYSA-N 0 0 301.734 0.337 50 0 DCAARN CC(C)Nc1nc(SCC(N)=O)nc(N2CCOCC2)n1 ZINC000000477000 415125925 /nfs/dbraw/zinc/12/59/25/415125925.db2.gz YVSBLFUITKEFSW-UHFFFAOYSA-N 0 0 312.399 0.106 50 0 DCAARN COc1ccc(C(=O)N2CC[NH+]([C@H](C)C(=O)[O-])CC2)cc1OC ZINC000265267575 415126115 /nfs/dbraw/zinc/12/61/15/415126115.db2.gz SJEYVPTXOHQLSY-LLVKDONJSA-N 0 0 322.361 0.935 50 0 DCAARN Cn1c2nc3n(c2c(=O)[nH]c1=O)CC(c1ccc(F)cc1)N=N3 ZINC000004316693 415130638 /nfs/dbraw/zinc/13/06/38/415130638.db2.gz AYMLGSLOLZVENY-UHFFFAOYSA-N 0 0 314.280 0.392 50 0 DCAARN CC(C)NC(=O)NC(=O)COC(=O)c1ccc2c(c1)OCCO2 ZINC000004925422 415130860 /nfs/dbraw/zinc/13/08/60/415130860.db2.gz QTAWHOGFILSYKK-UHFFFAOYSA-N 0 0 322.317 0.849 50 0 DCAARN CS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 ZINC000005136840 415132959 /nfs/dbraw/zinc/13/29/59/415132959.db2.gz YPVXHJSBHZCOKU-UHFFFAOYSA-N 0 0 304.393 0.770 50 0 DCAARN CC(=O)c1ccc(OCC(=O)OCC(=O)N2CCNC2=O)cc1 ZINC000007243163 415135728 /nfs/dbraw/zinc/13/57/28/415135728.db2.gz SJIHQZMUUPOYCE-UHFFFAOYSA-N 0 0 320.301 0.363 50 0 DCAARN C[C@]1(NS(=O)(=O)c2ccc(F)cc2)CCS(=O)(=O)C1 ZINC000007304234 415135823 /nfs/dbraw/zinc/13/58/23/415135823.db2.gz QGOSFEIYOTVRMC-NSHDSACASA-N 0 0 307.368 0.681 50 0 DCAARN O=C(COC(=O)CNC(=O)c1cccs1)NCc1ccco1 ZINC000007563814 415139921 /nfs/dbraw/zinc/13/99/21/415139921.db2.gz IPXGHVKAKJTMNU-UHFFFAOYSA-N 0 0 322.342 0.931 50 0 DCAARN O=C(CSc1nncn1-c1ccccc1)N1CCNC1=O ZINC000007677610 415140037 /nfs/dbraw/zinc/14/00/37/415140037.db2.gz QMXZYPHVCMJJAK-UHFFFAOYSA-N 0 0 303.347 0.911 50 0 DCAARN Nc1nc(N)nc(COC(=O)c2cc3c(c(Cl)c2)OCO3)n1 ZINC000007542293 415142196 /nfs/dbraw/zinc/14/21/96/415142196.db2.gz KGAJUCZMMVBOIE-UHFFFAOYSA-N 0 0 323.696 0.775 50 0 DCAARN CCS(=O)(=O)NCc1nnnn1-c1ccc(F)c(F)c1 ZINC000009571212 415144310 /nfs/dbraw/zinc/14/43/10/415144310.db2.gz AONRKGQXOXVUKE-UHFFFAOYSA-N 0 0 303.294 0.380 50 0 DCAARN O=C(CNC(=O)N1CC(=O)Nc2ccccc21)N1CCCC1 ZINC000008743600 415144922 /nfs/dbraw/zinc/14/49/22/415144922.db2.gz QNRGTPGZNPYHIW-UHFFFAOYSA-N 0 0 302.334 0.777 50 0 DCAARN CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccncc2)n(C)c1 ZINC000027407824 415172497 /nfs/dbraw/zinc/17/24/97/415172497.db2.gz JQVQTBYKBIEPGY-JTQLQIEISA-N 0 0 322.390 0.819 50 0 DCAARN C[C@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[C@H]1CCCO1 ZINC000027893860 415173609 /nfs/dbraw/zinc/17/36/09/415173609.db2.gz ZGYGEXLKSNNISN-QPUJVOFHSA-N 0 0 303.318 0.514 50 0 DCAARN C[C@H]1CN(CCOc2ccc(S(N)(=O)=O)cc2)[C@@H](C)CO1 ZINC000027646820 415174852 /nfs/dbraw/zinc/17/48/52/415174852.db2.gz VXAHUUUEDGPKPC-RYUDHWBXSA-N 0 0 314.407 0.822 50 0 DCAARN CNC(=O)NC(=O)CN1c2ccccc2[C@@H](C(N)=O)C[C@H]1C ZINC000040068527 415195410 /nfs/dbraw/zinc/19/54/10/415195410.db2.gz VXBHVNOGOZAKCH-KOLCDFICSA-N 0 0 304.350 0.310 50 0 DCAARN CN1CCN(C(=O)Cn2cccnc2=O)[C@@H](c2ccccc2)C1 ZINC000032941311 415186651 /nfs/dbraw/zinc/18/66/51/415186651.db2.gz QUUPBVUBGKGNMI-OAHLLOKOSA-N 0 0 312.373 0.759 50 0 DCAARN C[C@H]1COCCN1C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000044912629 415232866 /nfs/dbraw/zinc/23/28/66/415232866.db2.gz ABNPCGWWXPXZNW-NSHDSACASA-N 0 0 301.346 0.723 50 0 DCAARN O=C(NCCOc1cccc(F)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000044946244 415233964 /nfs/dbraw/zinc/23/39/64/415233964.db2.gz MAROTGYPFZZRJQ-NSHDSACASA-N 0 0 316.354 0.691 50 0 DCAARN Cn1cc(S(=O)(=O)N2CCN(Cc3cccnc3)CC2)cn1 ZINC000044937280 415234973 /nfs/dbraw/zinc/23/49/73/415234973.db2.gz QFFHUSSQDVWLPK-UHFFFAOYSA-N 0 0 321.406 0.322 50 0 DCAARN Cc1ccc2nc(CS(=O)(=O)CC(=O)N(C)C)cc(=O)n2c1 ZINC000044938253 415236295 /nfs/dbraw/zinc/23/62/95/415236295.db2.gz AGFAUNNWRXPHBU-UHFFFAOYSA-N 0 0 323.374 0.006 50 0 DCAARN CNS(=O)(=O)c1cccc(CNC(=O)Nc2cn[nH]c2)c1 ZINC000044970142 415240701 /nfs/dbraw/zinc/24/07/01/415240701.db2.gz YQKSBYMGWPZVHJ-UHFFFAOYSA-N 0 0 309.351 0.640 50 0 DCAARN NC(=O)[C@H]1CCN(C(=O)NC[C@H]2COc3ccccc3C2)C1 ZINC000045128396 415242554 /nfs/dbraw/zinc/24/25/54/415242554.db2.gz ZNTBVRANKBHUPT-AAEUAGOBSA-N 0 0 303.362 0.755 50 0 DCAARN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(CCO)CC1 ZINC000045311410 415245811 /nfs/dbraw/zinc/24/58/11/415245811.db2.gz HUPBECCXLYMEST-LBPRGKRZSA-N 0 0 302.378 0.594 50 0 DCAARN NC(=O)[C@H]1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000048036422 415284497 /nfs/dbraw/zinc/28/44/97/415284497.db2.gz WJUJTRFLWWNTHT-JTQLQIEISA-N 0 0 316.810 0.921 50 0 DCAARN CCn1cc(-n2cc3[nH]c(N4CCOCC4)ncc-3c2=O)cn1 ZINC000046087973 415256988 /nfs/dbraw/zinc/25/69/88/415256988.db2.gz KEYFBOZVVDLYIA-UHFFFAOYSA-N 0 0 314.349 0.690 50 0 DCAARN CC(C)Oc1ccc(CNC(=O)N2CC[C@H](C(N)=O)C2)cn1 ZINC000046824205 415263791 /nfs/dbraw/zinc/26/37/91/415263791.db2.gz QNHVBDIZYZGVFV-LBPRGKRZSA-N 0 0 306.366 0.886 50 0 DCAARN CC(C)CN1CCO[C@H](CNC(=O)C2(S(C)(=O)=O)CC2)C1 ZINC000332169691 415278707 /nfs/dbraw/zinc/27/87/07/415278707.db2.gz SZMCALDXRZDPDU-GFCCVEGCSA-N 0 0 318.439 0.037 50 0 DCAARN COc1ccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000044456472 415222525 /nfs/dbraw/zinc/22/25/25/415222525.db2.gz HNNDOSYIRPQCOB-JTQLQIEISA-N 0 0 313.375 0.868 50 0 DCAARN CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000044718048 415223818 /nfs/dbraw/zinc/22/38/18/415223818.db2.gz QQNASPTUURILGH-CYBMUJFWSA-N 0 0 307.394 0.468 50 0 DCAARN Cc1nn(C)c2ncc(C(=O)NC[C@H]3CCS(=O)(=O)C3)cc12 ZINC000044778782 415225810 /nfs/dbraw/zinc/22/58/10/415225810.db2.gz ZUDKEYNHVQQRSB-SNVBAGLBSA-N 0 0 322.390 0.441 50 0 DCAARN NC(=O)C1CCN(C(=O)NCc2ccc3c(c2)OCCO3)CC1 ZINC000044890922 415228590 /nfs/dbraw/zinc/22/85/90/415228590.db2.gz JNUQCWDLIUAGNE-UHFFFAOYSA-N 0 0 319.361 0.865 50 0 DCAARN NC(=O)N1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCCO3)C1 ZINC000044872381 415228734 /nfs/dbraw/zinc/22/87/34/415228734.db2.gz CBCVMTLBUCDQFY-GFCCVEGCSA-N 0 0 319.361 0.865 50 0 DCAARN Cc1n[nH]c(C)c1CNC(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000044891412 415229090 /nfs/dbraw/zinc/22/90/90/415229090.db2.gz UEZUFAGVCJLULI-UHFFFAOYSA-N 0 0 304.354 0.632 50 0 DCAARN C[C@H]1NC(C(=O)NC[C@@H]2CCCO2)=NN(c2ccccc2)C1=O ZINC000044911184 415231574 /nfs/dbraw/zinc/23/15/74/415231574.db2.gz RHWUTMLTLBCVMS-YPMHNXCESA-N 0 0 316.361 0.620 50 0 DCAARN Cc1c(C(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cnn1C ZINC000044911374 415232102 /nfs/dbraw/zinc/23/21/02/415232102.db2.gz BQAPPMPZAQYJIW-UKRRQHHQSA-N 0 0 322.409 0.196 50 0 DCAARN C[C@]1(C(=O)NC2CCN(CC(N)=O)CC2)CC1(Cl)Cl ZINC000048273485 415286020 /nfs/dbraw/zinc/28/60/20/415286020.db2.gz FPRVGAWIUNRCAM-LLVKDONJSA-N 0 0 308.209 0.636 50 0 DCAARN CNC(=O)NC(=O)CCS(=O)(=O)c1cccc(OC)c1 ZINC000048235388 415286716 /nfs/dbraw/zinc/28/67/16/415286716.db2.gz JHCKIGWMFXNDEX-UHFFFAOYSA-N 0 0 300.336 0.315 50 0 DCAARN CCN(C[C@H]1CCOC1)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000048265501 415287908 /nfs/dbraw/zinc/28/79/08/415287908.db2.gz SDHTZNXPBYGRPY-LLVKDONJSA-N 0 0 319.365 0.015 50 0 DCAARN CCN1C[C@H](C(=O)NCc2ccc(-n3cncn3)nc2)CC1=O ZINC000048264264 415288159 /nfs/dbraw/zinc/28/81/59/415288159.db2.gz MFBPQNLYAHKGKQ-GFCCVEGCSA-N 0 0 314.349 0.147 50 0 DCAARN NC(=O)C1CCN(C(=O)Nc2cccnc2-n2cccn2)CC1 ZINC000048198302 415288173 /nfs/dbraw/zinc/28/81/73/415288173.db2.gz AGRBEQOEQJJKEK-UHFFFAOYSA-N 0 0 314.349 0.997 50 0 DCAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccnc(-n2ccnc2)c1 ZINC000048318190 415289546 /nfs/dbraw/zinc/28/95/46/415289546.db2.gz NVGDKBUSOJMFKO-LLVKDONJSA-N 0 0 306.347 0.184 50 0 DCAARN C[C@@H]1CN(CCNc2cncc(-n3cncn3)n2)C[C@@H](C)O1 ZINC000048354017 415290190 /nfs/dbraw/zinc/29/01/90/415290190.db2.gz NHRLRWSQERGXAJ-VXGBXAGGSA-N 0 0 303.370 0.578 50 0 DCAARN COCCOc1ccc(CNc2cncc3nnnn32)cn1 ZINC000048331446 415290946 /nfs/dbraw/zinc/29/09/46/415290946.db2.gz VXVLRDSRHXHQDD-UHFFFAOYSA-N 0 0 301.310 0.552 50 0 DCAARN CC(C)N=c1ccccn1C(=O)Cn1nc2ccccn2c1=O ZINC000048325122 415293188 /nfs/dbraw/zinc/29/31/88/415293188.db2.gz GDVHTIQIZDZWSC-UHFFFAOYSA-N 0 0 311.345 0.947 50 0 DCAARN C[C@H]1CN(S(=O)(=O)CCNCc2ccccn2)C[C@H](C)O1 ZINC000048783552 415300982 /nfs/dbraw/zinc/30/09/82/415300982.db2.gz JNEDAPCZSZVOSQ-STQMWFEESA-N 0 0 313.423 0.610 50 0 DCAARN CN(Cn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000049319972 415304239 /nfs/dbraw/zinc/30/42/39/415304239.db2.gz KPUGULLRSPBXKS-SECBINFHSA-N 0 0 308.201 0.722 50 0 DCAARN CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)N1CCN(CCO)CC1 ZINC000066863409 415368587 /nfs/dbraw/zinc/36/85/87/415368587.db2.gz ONBPVLPHZAIKGP-ZIAGYGMSSA-N 0 0 323.441 0.791 50 0 DCAARN CC[C@H](C)n1nccc1NC(=O)[C@H](C)N1CCN(CCO)CC1 ZINC000066863412 415370683 /nfs/dbraw/zinc/37/06/83/415370683.db2.gz ONBPVLPHZAIKGP-KBPBESRZSA-N 0 0 323.441 0.791 50 0 DCAARN CC(C)c1nc(CNC(=O)c2ccc(NCCO)nc2)no1 ZINC000067432088 415375888 /nfs/dbraw/zinc/37/58/88/415375888.db2.gz KJZIDJCWBRPHGL-UHFFFAOYSA-N 0 0 305.338 0.922 50 0 DCAARN COc1cccc(OCc2cc(C(=O)NCCC(N)=O)[nH]n2)c1 ZINC000067724330 415383211 /nfs/dbraw/zinc/38/32/11/415383211.db2.gz APBJGFTWKQSZTJ-UHFFFAOYSA-N 0 0 318.333 0.603 50 0 DCAARN CC1=C(C(=O)NCCc2[nH]nc3c2CCCC3)[C@H](C)NC(=O)N1 ZINC000067679146 415386007 /nfs/dbraw/zinc/38/60/07/415386007.db2.gz JGGYANLBNHZTSK-VIFPVBQESA-N 0 0 317.393 0.923 50 0 DCAARN Cc1nnc([C@H]2CN(C(=O)Cc3ccc(C)nc3)CCO2)[nH]1 ZINC000084191219 415492388 /nfs/dbraw/zinc/49/23/88/415492388.db2.gz ZBWOAQPMXBUREN-CYBMUJFWSA-N 0 0 301.350 0.959 50 0 DCAARN Cc1ccc(CN2CCN(CCO)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000095352880 415547608 /nfs/dbraw/zinc/54/76/08/415547608.db2.gz ZAHHJYKTJMQGGF-CVEARBPZSA-N 0 0 324.446 0.271 50 0 DCAARN NC(=O)c1nc(CNc2nc(CO)nc3ccccc32)no1 ZINC000095353881 415554901 /nfs/dbraw/zinc/55/49/01/415554901.db2.gz SABKEAUEJWWWHT-UHFFFAOYSA-N 0 0 300.278 0.216 50 0 DCAARN CN(CC(=O)NCCc1ccco1)c1ncnc2nc[nH]c21 ZINC000095953836 415561868 /nfs/dbraw/zinc/56/18/68/415561868.db2.gz OYRKBEGBKNPKAQ-UHFFFAOYSA-N 0 0 300.322 0.741 50 0 DCAARN Cc1nc(-c2ncccn2)sc1C(=O)NC1=NCC(=O)N1 ZINC000095954059 415563046 /nfs/dbraw/zinc/56/30/46/415563046.db2.gz RYJCHKVQHWZCFB-UHFFFAOYSA-N 0 0 302.319 0.124 50 0 DCAARN CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)NCC(F)(F)F ZINC000095943930 415565173 /nfs/dbraw/zinc/56/51/73/415565173.db2.gz SKNBWSDJMGTWFO-SNVBAGLBSA-N 0 0 300.277 0.941 50 0 DCAARN CNC(=O)Cn1cc(NC(=O)CCc2c(C)noc2C)cn1 ZINC000095954055 415565545 /nfs/dbraw/zinc/56/55/45/415565545.db2.gz JYSFSEZMPCPDKG-UHFFFAOYSA-N 0 0 305.338 0.805 50 0 DCAARN COC(=O)CN1CCN(c2ccc(C(F)(F)F)nn2)CC1 ZINC000095981500 415566821 /nfs/dbraw/zinc/56/68/21/415566821.db2.gz RFKYWJBBWFYAHO-UHFFFAOYSA-N 0 0 304.272 0.790 50 0 DCAARN CCNC(=O)c1ccc(N2CCC(n3ccnn3)CC2)nn1 ZINC000095999390 415568340 /nfs/dbraw/zinc/56/83/40/415568340.db2.gz QMCXSMRWRCRHRA-UHFFFAOYSA-N 0 0 301.354 0.659 50 0 DCAARN COC(=O)C[C@H](C)NC(=O)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000095985746 415569536 /nfs/dbraw/zinc/56/95/36/415569536.db2.gz QURJMBWLZUDUEZ-VIFPVBQESA-N 0 0 324.333 0.710 50 0 DCAARN Cn1c(CNC(=O)NC[C@@H]2CCCO2)nc2ccccc2c1=O ZINC000096013226 415572305 /nfs/dbraw/zinc/57/23/05/415572305.db2.gz XBMGRXYITPESLX-NSHDSACASA-N 0 0 316.361 0.912 50 0 DCAARN O=C(CN1CCNC(=O)[C@@H]1c1cccs1)NC[C@@H]1CCCO1 ZINC000333298866 415604287 /nfs/dbraw/zinc/60/42/87/415604287.db2.gz MBUNONNCZYAQKU-FZMZJTMJSA-N 0 0 323.418 0.516 50 0 DCAARN Cc1noc(C)c1CN1CCN(c2ccc3nnnn3n2)CC1 ZINC000097054116 415580109 /nfs/dbraw/zinc/58/01/09/415580109.db2.gz SFGMHNONRVMNDI-UHFFFAOYSA-N 0 0 314.353 0.446 50 0 DCAARN Cc1nc2c(NC(=O)NCc3nnc4n3CCC4)cccn2n1 ZINC000097088407 415582683 /nfs/dbraw/zinc/58/26/83/415582683.db2.gz OMJVSWLQBNKNDU-UHFFFAOYSA-N 0 0 312.337 0.897 50 0 DCAARN CC(=O)N1CCC2(CC1)CCN(c1ncccn1)C[C@@H]2CO ZINC000097402556 415589420 /nfs/dbraw/zinc/58/94/20/415589420.db2.gz AMGDHAIDASIXSF-CQSZACIVSA-N 0 0 304.394 0.924 50 0 DCAARN CNC(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(=O)n1C ZINC000288854685 415694922 /nfs/dbraw/zinc/69/49/22/415694922.db2.gz BKAPHRPFXUPNFI-NSHDSACASA-N 0 0 307.350 0.736 50 0 DCAARN COCC(=O)NCc1cc2n(n1)CCN(c1nccnc1C)C2 ZINC000299755255 416064000 /nfs/dbraw/zinc/06/40/00/416064000.db2.gz DNVBSGUMQPCPPP-UHFFFAOYSA-N 0 0 316.365 0.264 50 0 DCAARN Cc1nnnn1CCC(=O)NCCCn1ccnc1C(C)C ZINC000299771090 416065244 /nfs/dbraw/zinc/06/52/44/416065244.db2.gz SAKIESXBDGTDSS-UHFFFAOYSA-N 0 0 305.386 0.898 50 0 DCAARN C[C@@H]1CN(CC(=O)NCc2cnn3cccnc23)C[C@H](C)O1 ZINC000299765863 416065410 /nfs/dbraw/zinc/06/54/10/416065410.db2.gz CMSALMYLTJRJRX-TXEJJXNPSA-N 0 0 303.366 0.455 50 0 DCAARN O=C(Cc1ccccn1)N1CC[C@@H](Nc2ncccn2)[C@H](O)C1 ZINC000299772756 416065968 /nfs/dbraw/zinc/06/59/68/416065968.db2.gz AXBOVLNCJUFVFN-ZIAGYGMSSA-N 0 0 313.361 0.488 50 0 DCAARN CSc1ncc(C(=O)NC[C@H]2CN(C(C)=O)CCO2)cn1 ZINC000299771872 416066064 /nfs/dbraw/zinc/06/60/64/416066064.db2.gz ZLWPZLUYDCSYEZ-NSHDSACASA-N 0 0 310.379 0.176 50 0 DCAARN COc1ccc2[nH]c(CCNC(=O)[C@H]3COCCO3)nc2c1 ZINC000299776773 416067038 /nfs/dbraw/zinc/06/70/38/416067038.db2.gz HFCTUEJYJQFDOF-CYBMUJFWSA-N 0 0 305.334 0.646 50 0 DCAARN COc1ncccc1C(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299788836 416069706 /nfs/dbraw/zinc/06/97/06/416069706.db2.gz YBHAJHIKDNFPDO-QWHCGFSZSA-N 0 0 315.333 0.668 50 0 DCAARN Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@H]1CCC(=O)N1 ZINC000299792669 416069813 /nfs/dbraw/zinc/06/98/13/416069813.db2.gz FKYQPPRQRQMMNT-MRVPVSSYSA-N 0 0 304.272 0.605 50 0 DCAARN Cc1n[nH]nc1C(=O)N1CCN(Cc2ccc(C)cc2)C(=O)C1 ZINC000299796327 416070971 /nfs/dbraw/zinc/07/09/71/416070971.db2.gz QJJBWCZREDAPMY-UHFFFAOYSA-N 0 0 313.361 0.906 50 0 DCAARN CN(CCc1cnn(C)c1)c1cc([C@@H]2CCOC2)nc(N)n1 ZINC000299795943 416071535 /nfs/dbraw/zinc/07/15/35/416071535.db2.gz NATDMQANLDBYKI-GFCCVEGCSA-N 0 0 302.382 0.975 50 0 DCAARN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 ZINC000252498246 416334531 /nfs/dbraw/zinc/33/45/31/416334531.db2.gz VGNGSQXYQJGLSF-VOAKCMCISA-N 0 0 300.424 0.410 50 0 DCAARN CCC[C@H](C)N(C)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000252452716 416334543 /nfs/dbraw/zinc/33/45/43/416334543.db2.gz YAGWKTLZPKIQRH-QWRGUYRKSA-N 0 0 319.427 0.120 50 0 DCAARN CO[C@@H]1C[C@@H]2C(=O)N([C@@H]3CC(=O)N(C(C)(C)C)C3)C(=O)N2C1 ZINC000253432519 416334764 /nfs/dbraw/zinc/33/47/64/416334764.db2.gz KWADENYROKUUKK-GMTAPVOTSA-N 0 0 309.366 0.437 50 0 DCAARN O=C([O-])c1cccc(CN2CCN(c3ncc[nH]c3=O)CC2)c1 ZINC000215296341 416327064 /nfs/dbraw/zinc/32/70/64/416327064.db2.gz AIZUPHBFIFKCGM-UHFFFAOYSA-N 0 0 314.345 0.790 50 0 DCAARN O=C(C[C@@H]1C[NH2+]CCO1)N1CCN(c2cccc(O)c2)CC1 ZINC000215561568 416327110 /nfs/dbraw/zinc/32/71/10/416327110.db2.gz PFGZBQADLXIIBF-OAHLLOKOSA-N 0 0 305.378 0.419 50 0 DCAARN Cc1ccnn1CCC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000215674334 416327320 /nfs/dbraw/zinc/32/73/20/416327320.db2.gz HYEAFASCIGFXMO-UHFFFAOYSA-N 0 0 316.409 0.660 50 0 DCAARN O=C(Cc1noc2ccccc12)NCc1c[nH]c(=O)[nH]c1=O ZINC000216163028 416327523 /nfs/dbraw/zinc/32/75/23/416327523.db2.gz ZXPURSCRDATBQS-UHFFFAOYSA-N 0 0 300.274 0.063 50 0 DCAARN O=C(CCc1[nH]c(O)nc1O)NCc1n[nH]c2c1CCCCC2 ZINC000216290105 416327579 /nfs/dbraw/zinc/32/75/79/416327579.db2.gz CPJCMKDAABYTIJ-NSHDSACASA-N 0 0 319.365 0.283 50 0 DCAARN CCS(=O)(=O)c1ccccc1N1CCN(C[C@@H](C)O)CC1 ZINC000225524725 416327743 /nfs/dbraw/zinc/32/77/43/416327743.db2.gz HCPWTZXZUCQLKE-CYBMUJFWSA-N 0 0 312.435 0.983 50 0 DCAARN COc1cncc(O[C@H]2CCCN(S(=O)(=O)C3CC3)C2)n1 ZINC000225501686 416327758 /nfs/dbraw/zinc/32/77/58/416327758.db2.gz UKZTULITYTUPNZ-JTQLQIEISA-N 0 0 313.379 0.821 50 0 DCAARN C[NH+](C)[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CSc2ccccn2)C1 ZINC000244633333 416330611 /nfs/dbraw/zinc/33/06/11/416330611.db2.gz GBCOSZNPNRLJNH-MNOVXSKESA-N 0 0 309.391 0.789 50 0 DCAARN C[N@H+](CCC(=O)Nc1nnc(C2CC2)s1)[C@H]1COC[C@@H]1O ZINC000244723883 416330699 /nfs/dbraw/zinc/33/06/99/416330699.db2.gz MJIOHPXNKHSYPZ-UWVGGRQHSA-N 0 0 312.395 0.436 50 0 DCAARN Cc1nn(C)c(C)c1CN(CCO)[C@@H](C)C(=O)N1CCCC1 ZINC000244748564 416330801 /nfs/dbraw/zinc/33/08/01/416330801.db2.gz OJRKADFEYHCGLM-AWEZNQCLSA-N 0 0 308.426 0.842 50 0 DCAARN COc1cc(C)ccc1C(=O)N[C@@H]1CCN(C(C)=O)C[C@H]1O ZINC000244723723 416330805 /nfs/dbraw/zinc/33/08/05/416330805.db2.gz MGCGJOFSRCWVAB-ZIAGYGMSSA-N 0 0 306.362 0.715 50 0 DCAARN C[C@@H]1O[C@H](Nc2ccc(Br)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000245333872 416331017 /nfs/dbraw/zinc/33/10/17/416331017.db2.gz BOGJQGFKEAPGGK-CAXGQTPXSA-N 0 0 318.167 0.689 50 0 DCAARN COC[C@H](NC(=O)CCCN1CCCC1=O)c1ccnn1C ZINC000244794731 416331150 /nfs/dbraw/zinc/33/11/50/416331150.db2.gz QSLYEZWJYWVQBQ-LBPRGKRZSA-N 0 0 308.382 0.626 50 0 DCAARN CN(Cc1ccc(CO)c2c1OC(F)(F)O2)[C@@H]1COC[C@H]1O ZINC000583651352 416480283 /nfs/dbraw/zinc/48/02/83/416480283.db2.gz LMUJNYCHDPNETN-GHMZBOCLSA-N 0 0 317.288 0.692 50 0 DCAARN CCCn1[nH]ccc1=NC(=O)CN1CCC[C@H]1Cn1cncn1 ZINC000588080482 416520947 /nfs/dbraw/zinc/52/09/47/416520947.db2.gz JTSQZMZFSMNKBR-ZDUSSCGKSA-N 0 0 317.397 0.410 50 0 DCAARN Nc1ncc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)s1 ZINC000584884688 416516072 /nfs/dbraw/zinc/51/60/72/416516072.db2.gz WLNDLCZUOYPEMA-SECBINFHSA-N 0 0 304.379 0.914 50 0 DCAARN Cc1nn(C)c(C)c1S(=O)(=O)N1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000585115334 416517217 /nfs/dbraw/zinc/51/72/17/416517217.db2.gz WYRQEHXOLDLICU-BCMRRPTOSA-N 0 0 314.411 0.323 50 0 DCAARN Cn1cc(NC(=O)N[C@@H]2CC23CCCCC3)c(=O)n(C)c1=O ZINC000585119639 416518832 /nfs/dbraw/zinc/51/88/32/416518832.db2.gz NVEKJJPUXBOCIH-LLVKDONJSA-N 0 0 306.366 0.928 50 0 DCAARN CCN1C[C@@H](S(=O)(=O)NCC(C)(C)CCCO)CC1=O ZINC000585115675 416519083 /nfs/dbraw/zinc/51/90/83/416519083.db2.gz NEIUISHBLLHQOB-NSHDSACASA-N 0 0 306.428 0.325 50 0 DCAARN Nc1nc(=O)cc(N2CCN(C(=O)[C@H]3CC=CCC3)CC2)[nH]1 ZINC000426666942 416778328 /nfs/dbraw/zinc/77/83/28/416778328.db2.gz FEHFPBAZKHCSNS-NSHDSACASA-N 0 0 303.366 0.769 50 0 DCAARN O=C([C@H]1CCC(=O)N1)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575606999 417539035 /nfs/dbraw/zinc/53/90/35/417539035.db2.gz HUHXHNNSWHNLKN-CYBMUJFWSA-N 0 0 315.377 0.281 50 0 DCAARN CCS(=O)(=O)N1CC[C@@H](c2ncc(C)n2CCOC)C1 ZINC000575316395 417526886 /nfs/dbraw/zinc/52/68/86/417526886.db2.gz IFFWPRAZNFXCEP-GFCCVEGCSA-N 0 0 301.412 0.977 50 0 DCAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C[C@@H](C)O)C2CC2)C1 ZINC000655379118 418257402 /nfs/dbraw/zinc/25/74/02/418257402.db2.gz WQTFTGRHZXGSIJ-VXGBXAGGSA-N 0 0 318.439 0.420 50 0 DCAARN CCCc1ncncc1C(=O)N(CCO)Cc1nccn1C ZINC000215798543 545937688 /nfs/dbraw/zinc/93/76/88/545937688.db2.gz GWMIKTZTSZZIHG-UHFFFAOYSA-N 0 0 303.366 0.797 50 0 DCAARN O=C(NCc1ccc2c(c1)CCCO2)[C@H]1CCC(=O)NC(=O)N1 ZINC000299759946 229406675 /nfs/dbraw/zinc/40/66/75/229406675.db2.gz PQZXMYMAHDTYNT-GFCCVEGCSA-N 0 0 317.345 0.616 50 0 DCAARN Cc1cccc(OCCCNC(=O)Cn2ccc(=O)[nH]c2=O)c1 ZINC000033238609 262506973 /nfs/dbraw/zinc/50/69/73/262506973.db2.gz FPOZNBHPCDJOQS-UHFFFAOYSA-N 0 0 317.345 0.430 50 0 DCAARN CCO[C@H]1COC[C@@H]1NC(=O)c1cccnc1N1CCOCC1 ZINC000071404235 262542902 /nfs/dbraw/zinc/54/29/02/262542902.db2.gz SSENWVZZPUGGOZ-KBPBESRZSA-N 0 0 321.377 0.452 50 0 DCAARN CCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(CC)c(=O)n1C ZINC000005148176 273683036 /nfs/dbraw/zinc/68/30/36/273683036.db2.gz LSLXOJYLGXOXJO-VIFPVBQESA-N 0 0 304.354 0.693 50 0 DCAARN O=C(c1nc2ccccc2c(=O)[nH]1)N1CCC(n2cnnc2)CC1 ZINC000214977032 275016165 /nfs/dbraw/zinc/01/61/65/275016165.db2.gz ZTWYVYAOSPDQEQ-UHFFFAOYSA-N 0 0 324.344 0.992 50 0 DCAARN CC(=O)[C@H](C)n1c(C)c(C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000004370681 275499974 /nfs/dbraw/zinc/49/99/74/275499974.db2.gz AELUEAIIYAOXRK-VIFPVBQESA-N 0 0 317.349 0.453 50 0 DCAARN CC(C)CCn1c(=O)c2c(nc3n2CC(C)N=N3)n(C)c1=O ZINC000008725100 275926144 /nfs/dbraw/zinc/92/61/44/275926144.db2.gz WSXQLYYEMBHLBE-UHFFFAOYSA-N 0 0 304.354 0.744 50 0 DCAARN CCn1c2c(nc1N1CCC(C)CC1)n(C)c(=O)n(C)c2=O ZINC000000105220 276710966 /nfs/dbraw/zinc/71/09/66/276710966.db2.gz DEGSYVNHGJDMLH-UHFFFAOYSA-N 0 0 305.382 0.690 50 0 DCAARN COC(=O)c1c2c(sc1NC(=O)C(N)=O)COC(C)(C)C2 ZINC000006758183 277148628 /nfs/dbraw/zinc/14/86/28/277148628.db2.gz NIDXWNYMTYINKG-UHFFFAOYSA-N 0 0 312.347 0.810 50 0 DCAARN CC(C)c1cc(N2CCN3C(=O)CN(C)C(=O)[C@H]3C2)ncn1 ZINC000095383582 278019051 /nfs/dbraw/zinc/01/90/51/278019051.db2.gz LXZRTKCVXNRYLP-GFCCVEGCSA-N 0 0 303.366 0.089 50 0 DCAARN CC(=O)N1CCc2cc(C)c(S(=O)(=O)N3CCOCC3)cc21 ZINC000064755801 278058622 /nfs/dbraw/zinc/05/86/22/278058622.db2.gz PVQBDESTUZOOJZ-UHFFFAOYSA-N 0 0 324.402 0.925 50 0 DCAARN CC(=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2 ZINC000077142069 278214535 /nfs/dbraw/zinc/21/45/35/278214535.db2.gz HPBQSOPXQIDKDT-UHFFFAOYSA-N 0 0 301.393 0.952 50 0 DCAARN CC(C)(C)NC(=O)CNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000054459742 278359806 /nfs/dbraw/zinc/35/98/06/278359806.db2.gz WDJKTQUFYQZCBM-YMTOWFKASA-N 0 0 313.423 0.471 50 0 DCAARN CCCc1nnc(N2CCCO[C@H](CN3CCOCC3)C2)o1 ZINC000095361968 278990422 /nfs/dbraw/zinc/99/04/22/278990422.db2.gz APCKNSLQHUSDRU-CYBMUJFWSA-N 0 0 310.398 0.950 50 0 DCAARN Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1C[C@H]1CCCO1 ZINC000004248609 279004184 /nfs/dbraw/zinc/00/41/84/279004184.db2.gz XYRCENKWFZTDAF-SNVBAGLBSA-N 0 0 317.349 0.174 50 0 DCAARN CCOC(=O)[C@@H](C)N(C)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000079095021 279580867 /nfs/dbraw/zinc/58/08/67/279580867.db2.gz JZSRCDUWDSRZIP-LLVKDONJSA-N 0 0 317.349 0.615 50 0 DCAARN CC[C@@H](O)CN1CCN(C(=O)CCNCC(F)(F)F)CC1 ZINC000070003979 280203406 /nfs/dbraw/zinc/20/34/06/280203406.db2.gz DTCGZFJCOBJXCC-LLVKDONJSA-N 0 0 311.348 0.444 50 0 DCAARN CN(C(=O)COC(=O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000025118403 281744466 /nfs/dbraw/zinc/74/44/66/281744466.db2.gz JOOCPAFPASEBKV-SNVBAGLBSA-N 0 0 317.388 0.550 50 0 DCAARN C[N@@H+]1CCN(C(=O)c2ccccc2-n2cncn2)C[C@@H]1C(=O)[O-] ZINC000067654389 290032198 /nfs/dbraw/zinc/03/21/98/290032198.db2.gz GFNTXXMSQRYAFN-CYBMUJFWSA-N 0 0 315.333 0.108 50 0 DCAARN C[C@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N(C)C ZINC000007085705 290170725 /nfs/dbraw/zinc/17/07/25/290170725.db2.gz MAKMDOFYTVFNFI-JTQLQIEISA-N 0 0 318.329 0.693 50 0 DCAARN Cn1ccn2ncc(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)c12 ZINC000065507875 294397312 /nfs/dbraw/zinc/39/73/12/294397312.db2.gz QOUMPYFKMUOVCL-CQSZACIVSA-N 0 0 323.356 0.725 50 0 DCAARN NC(=O)CN1C(=O)N[C@@]2(CCSc3ccc(F)cc32)C1=O ZINC000007716048 295045027 /nfs/dbraw/zinc/04/50/27/295045027.db2.gz VJLHNSZTFZSBOU-CYBMUJFWSA-N 0 0 309.322 0.554 50 0 DCAARN NC(=O)CN1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000252507032 295047435 /nfs/dbraw/zinc/04/74/35/295047435.db2.gz WFHCLOUSYVEADA-NSHDSACASA-N 0 0 317.267 0.543 50 0 DCAARN NC(=O)[C@@H]1C[C@@H](F)CN1CC(=O)N1CCCc2ccccc21 ZINC000284827212 295125917 /nfs/dbraw/zinc/12/59/17/295125917.db2.gz OQVVIMYDHBRDDP-OCCSQVGLSA-N 0 0 305.353 0.864 50 0 DCAARN CN1C(=O)COc2ccc(NC(=O)N3CCOC[C@H](O)C3)cc21 ZINC000534581154 334289195 /nfs/dbraw/zinc/28/91/95/334289195.db2.gz SQGZOIKTXGQUFY-LLVKDONJSA-N 0 0 321.333 0.267 50 0 DCAARN C[C@@H]1CNCCN1S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 ZINC000534631760 334307594 /nfs/dbraw/zinc/30/75/94/334307594.db2.gz AIUSMSJRZMAUQE-SECBINFHSA-N 0 0 311.363 0.114 50 0 DCAARN CC[C@H](C(=O)NCCn1cncn1)N1Cc2ccccc2C1=O ZINC000534660496 334313464 /nfs/dbraw/zinc/31/34/64/334313464.db2.gz AWMPZGLNNIOIPG-CQSZACIVSA-N 0 0 313.361 0.829 50 0 DCAARN Cc1cccc(C)c1OC1CN(C(=O)N[C@H]2COC[C@@H]2O)C1 ZINC000534658207 334314730 /nfs/dbraw/zinc/31/47/30/334314730.db2.gz BEOWICLPNQHMTB-KBPBESRZSA-N 0 0 306.362 0.836 50 0 DCAARN CCCCn1nnnc1CN1CCC[C@@H](Cn2cncn2)C1 ZINC000069630309 337366467 /nfs/dbraw/zinc/36/64/67/337366467.db2.gz YAUROEOTWHRLNF-CYBMUJFWSA-N 0 0 304.402 0.977 50 0 DCAARN COc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1-c1nn[nH]n1 ZINC000218572393 337383654 /nfs/dbraw/zinc/38/36/54/337383654.db2.gz LCXUTWKDGZNQRC-UHFFFAOYSA-N 0 0 314.305 0.560 50 0 DCAARN COC(=O)c1cn([C@H](CC(C)C)C(N)=O)cc2c(=O)[nH]nc1-2 ZINC000409415638 534304278 /nfs/dbraw/zinc/30/42/78/534304278.db2.gz VDDZMEUKHNBSBI-SNVBAGLBSA-N 0 0 306.322 0.948 50 0 DCAARN CCCCOc1ccc(OC)cc1NC(=O)C(=O)NCCO ZINC000268496783 520889291 /nfs/dbraw/zinc/88/92/91/520889291.db2.gz UCKIOLBDDITNSM-UHFFFAOYSA-N 0 0 310.350 0.921 50 0 DCAARN CC[C@@H](NC(=O)c1ccc2nncn2c1)C(=O)N1CCOCC1 ZINC000267935724 522790742 /nfs/dbraw/zinc/79/07/42/522790742.db2.gz GJKMYYMWPUCVAR-GFCCVEGCSA-N 0 0 317.349 0.097 50 0 DCAARN Cc1nsc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)n1 ZINC000266336663 526713954 /nfs/dbraw/zinc/71/39/54/526713954.db2.gz BNLMPCJOJIVLFC-GFCCVEGCSA-N 0 0 309.351 0.506 50 0 DCAARN CC(C)(C)c1ccc(C(=O)NCC(=O)N[C@@H](CO)CCO)cc1 ZINC000408515495 526765267 /nfs/dbraw/zinc/76/52/67/526765267.db2.gz YYHZMGZKMYFUHX-CQSZACIVSA-N 0 0 322.405 0.573 50 0 DCAARN CC(=O)c1ccc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)s1 ZINC000299793102 527247962 /nfs/dbraw/zinc/24/79/62/527247962.db2.gz JAVKSDQIYFFVMN-VIFPVBQESA-N 0 0 316.404 0.701 50 0 DCAARN COC[C@@H](C)NC(=O)NC(=O)CN1CCOc2ccccc21 ZINC000026200028 536536121 /nfs/dbraw/zinc/53/61/21/536536121.db2.gz YFVISNHOSSPXLE-LLVKDONJSA-N 0 0 307.350 0.746 50 0 DCAARN C[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(-c2ncn(C)n2)cc1 ZINC000188467073 545916969 /nfs/dbraw/zinc/91/69/69/545916969.db2.gz DANDBFRXMVXLJG-LLVKDONJSA-N 0 0 313.361 0.785 50 0 DCAARN CN(Cc1cnc(N(C)CC(=O)[O-])nc1)C[C@H]1CCC[N@H+](C)C1 ZINC000215898710 545938320 /nfs/dbraw/zinc/93/83/20/545938320.db2.gz DRCMYRUMLGYTSR-ZDUSSCGKSA-N 0 0 321.425 0.771 50 0 DCAARN Cc1ncn(CCNC(=O)Cc2c(C)nc(C)[nH]c2=O)c1C ZINC000215851064 545938484 /nfs/dbraw/zinc/93/84/84/545938484.db2.gz ZOEKHFIAWSPIFG-UHFFFAOYSA-N 0 0 303.366 0.559 50 0 DCAARN CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000215885584 545939182 /nfs/dbraw/zinc/93/91/82/545939182.db2.gz GSBMTJRBLOSMMZ-NSHDSACASA-N 0 0 315.329 0.149 50 0 DCAARN O=C(NCCn1ccc2ccoc2c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000238821577 545960418 /nfs/dbraw/zinc/96/04/18/545960418.db2.gz CTQPZJLZFYHVHV-LLVKDONJSA-N 0 0 324.358 0.145 50 0 DCAARN C[C@@H](C(=O)NC1CCN(C(=O)N2CCCC2)CC1)n1cnnn1 ZINC000670433972 547088013 /nfs/dbraw/zinc/08/80/13/547088013.db2.gz GVZFVDJZKGWFRN-NSHDSACASA-N 0 0 321.385 0.031 50 0 DCAARN CCOCC(=O)N1CCC(C(=O)N(C)C[C@H]2CCOC2)CC1 ZINC000670441104 547090968 /nfs/dbraw/zinc/09/09/68/547090968.db2.gz VAWFSNVJBSRQBM-CYBMUJFWSA-N 0 0 312.410 0.756 50 0 DCAARN O=C1C[C@@H](CNS(=O)(=O)c2cn[nH]c2)CN1C1CCCC1 ZINC000670445248 547093313 /nfs/dbraw/zinc/09/33/13/547093313.db2.gz FFAFWLDGGSYJJD-JTQLQIEISA-N 0 0 312.395 0.479 50 0 DCAARN C[C@H](NC(=O)c1ccc(OCC(N)=O)cc1)c1nncn1C ZINC000670455852 547097715 /nfs/dbraw/zinc/09/77/15/547097715.db2.gz IVJKETQEHYBQSP-VIFPVBQESA-N 0 0 303.322 0.170 50 0 DCAARN CCN(C(=O)NCCCn1ccccc1=O)[C@H]1COC[C@@H]1O ZINC000670471130 547099884 /nfs/dbraw/zinc/09/98/84/547099884.db2.gz HJRJDKCLYSRZTO-STQMWFEESA-N 0 0 309.366 0.030 50 0 DCAARN CCCN1C(=O)N[C@H](CC(=O)NCC2(COC)CCC2)C1=O ZINC000670473297 547101057 /nfs/dbraw/zinc/10/10/57/547101057.db2.gz WOJBOYLVYAATGW-LLVKDONJSA-N 0 0 311.382 0.640 50 0 DCAARN O=C(NCc1noc(-c2cccs2)n1)C1=NNC(=O)CC1 ZINC000670472861 547101977 /nfs/dbraw/zinc/10/19/77/547101977.db2.gz UCUGHRHUNOQJDC-UHFFFAOYSA-N 0 0 305.319 0.680 50 0 DCAARN Cc1ncn(CCNC(=O)[C@H]2CSC(C)(C)C(=O)N2)c1C ZINC000670473103 547102028 /nfs/dbraw/zinc/10/20/28/547102028.db2.gz RPULPFCZNBKSSX-LLVKDONJSA-N 0 0 310.423 0.626 50 0 DCAARN CN(C)c1cnc(C(=O)NCc2nnc(C3CCC3)n2C)cn1 ZINC000680871683 548178892 /nfs/dbraw/zinc/17/88/92/548178892.db2.gz XLCOERNOYIJHRD-UHFFFAOYSA-N 0 0 315.381 0.869 50 0 DCAARN Cn1cc(Cl)cc1C(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 ZINC000685941525 548746887 /nfs/dbraw/zinc/74/68/87/548746887.db2.gz DPTYEIXEBRUJBF-CMPLNLGQSA-N 0 0 310.741 0.978 50 0 DCAARN c1n[nH]cc1O[C@@H]1COC[C@@H]1NCc1cc2n(n1)CCCC2 ZINC000685940941 548747173 /nfs/dbraw/zinc/74/71/73/548747173.db2.gz LBJQEXGXAYJRRF-LSDHHAIUSA-N 0 0 303.366 0.879 50 0 DCAARN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C=C3CCCC3)C2)C1 ZINC000685942268 548748377 /nfs/dbraw/zinc/74/83/77/548748377.db2.gz MQJOQYQBAVFHKY-LBPRGKRZSA-N 0 0 305.378 0.292 50 0 DCAARN CS(=O)(=O)[C@H]1[C@@H]2C=C[C@H]3[C@H](S(C)(=O)=O)[C@H]4C=C[C@@H]1[C@H]4[C@H]23 ZINC000257357183 563850499 /nfs/dbraw/zinc/85/04/99/563850499.db2.gz MNMMQMQHMOCOKM-ANHOAHFRSA-N 0 0 314.428 0.677 50 0 DCAARN CCCC(=O)NCC(=O)Nc1cnc(N2CCOCC2)nc1 ZINC000206719237 563876526 /nfs/dbraw/zinc/87/65/26/563876526.db2.gz UBEOYLPEUISYSR-UHFFFAOYSA-N 0 0 307.354 0.168 50 0 DCAARN C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000888095903 661168726 /nfs/dbraw/zinc/16/87/26/661168726.db2.gz DXMYOFYNAKYOOM-BXUZGUMPSA-N 0 0 306.362 0.912 50 0 DCAARN CCCCN(C)c1ccc(C(=O)N2C[C@@H](O)[C@@H](O)[C@@H](O)C2)cc1 ZINC000888099623 661178649 /nfs/dbraw/zinc/17/86/49/661178649.db2.gz DUGHXBNGGBONIG-MUJYYYPQSA-N 0 0 322.405 0.461 50 0 DCAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccnc1)N1CCCCC1 ZINC000055098811 659189107 /nfs/dbraw/zinc/18/91/07/659189107.db2.gz YDRIBZVXSUSYPU-HNNXBMFYSA-N 0 0 316.405 0.785 50 0 DCAARN O=C(NCCc1cn2ccsc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000299759205 659640332 /nfs/dbraw/zinc/64/03/32/659640332.db2.gz BQJNKBGXPLKBRL-VIFPVBQESA-N 0 0 313.404 0.489 50 0 DCAARN CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)[C@H](C)CCO)C1 ZINC000585090530 662949707 /nfs/dbraw/zinc/94/97/07/662949707.db2.gz GQKSILKKSFQXGR-NEPJUHHUSA-N 0 0 306.428 0.277 50 0 DCAARN COc1ccc(CCNC(=O)C[C@H]2CC(=O)NC2=O)cc1F ZINC000874962356 665254415 /nfs/dbraw/zinc/25/44/15/665254415.db2.gz BNBRDMFJAIVCIA-JTQLQIEISA-N 0 0 308.309 0.546 50 0 DCAARN CN1CCN(C(=O)c2cn(Cc3ccccc3)nn2)C[C@H]1CO ZINC000863981359 667204963 /nfs/dbraw/zinc/20/49/63/667204963.db2.gz ASVMQBUHCHKRMZ-AWEZNQCLSA-N 0 0 315.377 0.075 50 0 DCAARN NC(=O)N1CCCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000102178893 667918706 /nfs/dbraw/zinc/91/87/06/667918706.db2.gz DVGLZJFTTUJADB-UHFFFAOYSA-N 0 0 301.354 0.249 50 0 DCAARN Cn1nnc2cc(C(=O)NC[C@H]3CN(C4CC4)CCO3)ccc21 ZINC000115164878 668141488 /nfs/dbraw/zinc/14/14/88/668141488.db2.gz MGLMQYASAKXPNO-ZDUSSCGKSA-N 0 0 315.377 0.561 50 0 DCAARN CSCC(=O)N1CCC[C@H](CNC(=O)c2ccnn2C)C1 ZINC000952975859 685600350 /nfs/dbraw/zinc/60/03/50/685600350.db2.gz MCAHVPWQBVYEHF-LLVKDONJSA-N 0 0 310.423 0.752 50 0 DCAARN COC[C@H](c1ccccn1)N(C)C(=O)CCNS(C)(=O)=O ZINC000952979478 685600976 /nfs/dbraw/zinc/60/09/76/685600976.db2.gz YNUFFCSSRJUOLU-GFCCVEGCSA-N 0 0 315.395 0.167 50 0 DCAARN CC1=C(C(=O)N2CCN(C(=O)c3ccco3)CC2)OCCO1 ZINC000952985122 685601628 /nfs/dbraw/zinc/60/16/28/685601628.db2.gz CBEZPPLXGXKQIQ-UHFFFAOYSA-N 0 0 306.318 0.842 50 0 DCAARN CCn1ncnc1[C@H](C)NC(=O)CCC(=O)Nc1nncs1 ZINC000952988172 685602997 /nfs/dbraw/zinc/60/29/97/685602997.db2.gz MPMPKLAXGJRGKO-QMMMGPOBSA-N 0 0 323.382 0.746 50 0 DCAARN COc1ncc(C)cc1NC(=O)N[C@H](CO)CC1OCCO1 ZINC000952994432 685603408 /nfs/dbraw/zinc/60/34/08/685603408.db2.gz UZYFORRHLYYZOV-JTQLQIEISA-N 0 0 311.338 0.644 50 0 DCAARN OC[C@@]12COCCN1CCN(c1cc[nH+]cc1C(F)(F)F)C2 ZINC000952995591 685603721 /nfs/dbraw/zinc/60/37/21/685603721.db2.gz QSTWXWGZVLPQHW-ZDUSSCGKSA-N 0 0 317.311 0.984 50 0 DCAARN Cc1nccnc1N1CCC(n2cc(CNC(N)=O)nn2)CC1 ZINC000019299948 685051803 /nfs/dbraw/zinc/05/18/03/685051803.db2.gz YAPMOWHHNKYOKQ-UHFFFAOYSA-N 0 0 316.369 0.386 50 0 DCAARN CCc1nc(NC(=O)N2CCN(C)C(=O)[C@H]2C(C)C)nn1C ZINC000063884984 685063623 /nfs/dbraw/zinc/06/36/23/685063623.db2.gz WRKWQKJNMAZVRP-LLVKDONJSA-N 0 0 308.386 0.708 50 0 DCAARN CN(C)C(=O)c1nc(CN2CC[C@]3(CCCO3)CCC2=O)no1 ZINC000071419484 685074332 /nfs/dbraw/zinc/07/43/32/685074332.db2.gz ZUEZMKGPNVQGSL-HNNXBMFYSA-N 0 0 322.365 0.833 50 0 DCAARN CN(CCc1noc(C2CC2)n1)C(=O)[C@H]1NCCc2nc[nH]c21 ZINC000072448490 685075350 /nfs/dbraw/zinc/07/53/50/685075350.db2.gz ZFNVDVWAOWERJA-ZDUSSCGKSA-N 0 0 316.365 0.558 50 0 DCAARN O=C([O-])C[N@@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000082125306 685082795 /nfs/dbraw/zinc/08/27/95/685082795.db2.gz VILAIKJSLOGPNS-UHFFFAOYSA-N 0 0 306.366 0.590 50 0 DCAARN Cn1nc(-c2ccc(S(C)(=O)=O)cc2)nc1N1CCOCC1 ZINC000096138658 685111543 /nfs/dbraw/zinc/11/15/43/685111543.db2.gz IZCZNFLVYZHOGY-UHFFFAOYSA-N 0 0 322.390 0.722 50 0 DCAARN Cc1cn2c(nc(CN3CC[C@](C)(O)[C@@H](O)C3)cc2=O)s1 ZINC000096148968 685111566 /nfs/dbraw/zinc/11/15/66/685111566.db2.gz LVOWSMQEQFQTTE-FZMZJTMJSA-N 0 0 309.391 0.382 50 0 DCAARN COc1nc(N2CCC3(CC2)N=C(N(C)C)NC3=O)ncc1F ZINC001772700930 1157840880 /nfs/dbraw/zinc/84/08/80/1157840880.db2.gz GODNBPXUNORHTQ-UHFFFAOYSA-N 0 0 322.344 0.011 50 0 DCAARN Cc1nn2ncccc2c1C(=O)N1CCC([C@H](O)CO)CC1 ZINC001772708204 1157845534 /nfs/dbraw/zinc/84/55/34/1157845534.db2.gz FOBINSOAPIENFB-CYBMUJFWSA-N 0 0 304.350 0.243 50 0 DCAARN CN(C(=O)c1cc(O)ccc1N)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 ZINC001704299822 1179964477 /nfs/dbraw/zinc/96/44/77/1179964477.db2.gz TWNMQMQMAYOSHA-OUAUKWLOSA-N 0 0 303.362 0.961 50 0 DCAARN C[N@@H+]1CCC[C@]2(C(=O)[O-])CCN(c3nc(C(N)=O)cs3)C[C@@H]12 ZINC001704300105 1179964725 /nfs/dbraw/zinc/96/47/25/1179964725.db2.gz VYPUGHNWRVJGDN-YGRLFVJLSA-N 0 0 324.406 0.617 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3c(Cl)cnn3C)C[C@@H]2O)[nH]n1 ZINC001704311555 1179969753 /nfs/dbraw/zinc/96/97/53/1179969753.db2.gz BMTJSNDNYRGFGA-SKDRFNHKSA-N 0 0 323.784 0.781 50 0 DCAARN NS(=O)(=O)CCCC(=O)N1CCC[C@]2(CCC[C@H]2O)C1 ZINC001704342028 1179977648 /nfs/dbraw/zinc/97/76/48/1179977648.db2.gz CBVSIDDOUOYDKU-DGCLKSJQSA-N 0 0 304.412 0.209 50 0 DCAARN Cc1cc(C[C@@H]2CN(C(=O)c3sc(N)nc3C)C[C@H]2O)[nH]n1 ZINC001704336866 1179978066 /nfs/dbraw/zinc/97/80/66/1179978066.db2.gz JSROVBAUTLINEI-MWLCHTKSSA-N 0 0 321.406 0.741 50 0 DCAARN NC(=O)c1csc(N2C[C@@H](Cc3ccccn3)[C@H](O)C2)n1 ZINC001704342480 1179978740 /nfs/dbraw/zinc/97/87/40/1179978740.db2.gz DBWKFEXNFDGGGL-BXKDBHETSA-N 0 0 304.375 0.677 50 0 DCAARN O=C(c1cc(C(F)F)n[nH]1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704343175 1179980125 /nfs/dbraw/zinc/98/01/25/1179980125.db2.gz UMFUQSQNHHZAQX-PRHODGIISA-N 0 0 323.303 0.813 50 0 DCAARN